# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2017

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# 
# This file contains crystal structure data downloaded from the 
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# Crystallographic Data Centre (CCDC).
# 
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
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data_cxy176_0m-sr
_database_code_depnum_ccdc_archive 'CCDC 1499630'
_audit_update_record             
;
2016-08-18 deposited with the CCDC.
2017-09-18 downloaded from the CCDC.
;
_audit_creation_date             2015-02-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        2
_chemical_formula_moiety         
'C256 H336 Ag8 Cu8, 5(C H2 Cl2), C0.44 H0.88 Cl0.98, C0.56 H1.12 Cl1.02'
_chemical_formula_sum            'C262 H348 Ag8 Cl12 Cu8'
_chemical_formula_weight         5294.06
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   20.1746(12)
_cell_length_b                   20.4429(12)
_cell_length_c                   34.225(2)
_cell_angle_alpha                87.8191(17)
_cell_angle_beta                 73.8816(16)
_cell_angle_gamma                72.2845(16)
_cell_volume                     12900.6(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9583
_cell_measurement_temperature    100
_cell_measurement_theta_max      67.63
_cell_measurement_theta_min      2.70
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.946
_exptl_absorpt_correction_T_max  0.7530
_exptl_absorpt_correction_T_min  0.3493
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2012/1 (Bruker,2012) was used for absorption correction. wR2(int) was 0.1537 before and 0.1099 after correction. The Ratio of minimum to maximum transmission is 0.4639. The λ/2 correction factor is 0.0015.'
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.363
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5464
_exptl_crystal_preparation       'solvent evaporation, Luminescent'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: dichloromethane'
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0715
_diffrn_reflns_av_unetI/netI     0.0370
_diffrn_reflns_Laue_measured_fraction_full 0.974
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            300578
_diffrn_reflns_point_group_measured_fraction_full 0.974
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         67.692
_diffrn_reflns_theta_min         1.345
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                41298
_reflns_number_total             45465
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         4.482
_refine_diff_density_min         -1.895
_refine_diff_density_rms         0.196
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2892
_refine_ls_number_reflns         45465
_refine_ls_number_restraints     265
_refine_ls_R_factor_all          0.0846
_refine_ls_R_factor_gt           0.0803
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1617P)²+68.3794P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2342
_refine_ls_wR_factor_ref         0.2400
_refine_special_details          ', SQUEEZE'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Cl1-C273 = Cl4-C274 = Cl3-C274 = Cl2-C273
 1.79 with sigma of 0.02
 C138-C137 = C140-C137 = C290-C287 = C137-C139 = C288-C287 = C287-C289
 1.54 with sigma of 0.02
 C303-C306 = C220-C217 = C303-C304 = C218-C217 = C303-C305 = C219-C217
 1.54 with sigma of 0.02
 C10A-C9A = C10-C9 = C11A-C9A = C11-C9 = C12A-C9A = C12-C9
 1.54 with sigma of 0.02
 C25-C27 = C26-C25 = C25-C28 = C28A-C25A = C26A-C25A = C27A-C25A
 1.54 with sigma of 0.02
 C291-C293 = C141-C143 = C141-C144 = C291-C294 = C141-C142 = C291-C292
 1.54 with sigma of 0.02
 C159-C157 = C297-C295 = C158-C157 = C160-C157 = C298-C295 = C296-C295
 1.53 with sigma of 0.02
 C170-C169 = C300-C299 = C301-C299 = C171-C169 = C302-C299 = C172-C169
 1.53 with sigma of 0.02
 C32-C29 = C32A-C29A = C31-C29 = C30A-C29A = C30-C29 = C31A-C29A
 1.54 with sigma of 0.02
 C43-C41 = C43A-C41A = C42A-C41A = C42-C41 = C41A-C44A = C41-C44
 1.54 with sigma of 0.02
 Cl13-C279
 1.79 with sigma of 0.02
 Cl14-C279 = Cl15-C280 = Cl16-C280
 1.79 with sigma of 0.02
 Cl1-Cl2 = Cl4-Cl3
 2.9 with sigma of 0.04
 C293-C292 = C143-C142
 2.53 with sigma of 0.04
 C292-C294 = C142-C144
 2.53 with sigma of 0.04
 C144-C143 = C294-C293
 2.53 with sigma of 0.04
 C172-C170 = C300-C302
 2.5 with sigma of 0.04
 C302-C301 = C172-C171
 2.5 with sigma of 0.04
 C300-C301 = C170-C171
 2.5 with sigma of 0.04
 C32A-C31A
 2.53 with sigma of 0.04
 C30A-C31A
 2.53 with sigma of 0.04
 Cl14-Cl13
 2.9 with sigma of 0.04
 Cl15-Cl16
 2.9 with sigma of 0.04
 C45-C39 \\sim C45A-C39
 with sigma of 0.02
 C45A-C48A \\sim C45-C46 \\sim C46A-C45A \\sim C45-C47 \\sim C45A-C47A
 with sigma of 0.02
3. Rigid bond restraints
 C137, C138, C139, C140
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
Cl3 \\sim Cl4 \\sim C274: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C9 \\sim C10 \\sim C11 \\sim C12: within 1.7A with sigma of 0.01 and sigma for
terminal atoms of 0.02
C141 \\sim C142 \\sim C143 \\sim C144: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02
C295 \\sim C296 \\sim C297 \\sim C298: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02
C169 \\sim C170 \\sim C171 \\sim C172: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02
C29 \\sim C30 \\sim C31 \\sim C32: within 1.7A with sigma of 0.01 and sigma for
terminal atoms of 0.02
C122 \\sim C123 \\sim C124: within 2.7A with sigma of 0.01 and sigma for
terminal atoms of 0.02
C137 \\sim C138 \\sim C139 \\sim C140: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02
Uanis(C171) \\sim Ueq, Uanis(C169) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(C254) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C15) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C42) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C254) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Cl1) = Uanis(Cl4)
Uanis(Cl2) = Uanis(Cl3)
Uanis(C273) = Uanis(C274)
Uanis(C47) = Uanis(C47A)
Uanis(C45) = Uanis(C45A)
Uanis(C138) = Uanis(C288)
Uanis(C137) = Uanis(C287)
Uanis(C140) = Uanis(C290)
Uanis(C139) = Uanis(C289)
Uanis(C217) = Uanis(C303)
Uanis(C160) = Uanis(C298)
Uanis(C159) = Uanis(C297)
Uanis(C46A) = Uanis(C48)
Uanis(C46) = Uanis(C48A)
Uanis(C10) = Uanis(C10A)
Uanis(C11) = Uanis(C11A)
Uanis(C12) = Uanis(C12A)
Uanis(C9) = Uanis(C9A)
Uanis(C29) = Uanis(C29A)
Uanis(C25) = Uanis(C25A)
Uanis(C26) = Uanis(C26A)
Uanis(C27A) = Uanis(C27)
Uanis(C28A) = Uanis(C28)
Uanis(C141) = Uanis(C291)
Uanis(C292) = Uanis(C142)
Uanis(C293) = Uanis(C143)
Uanis(C144) = Uanis(C294)
Uanis(C158) = Uanis(C296)
Uanis(C157) = Uanis(C295)
Uanis(C302) = Uanis(C172)
Uanis(C170) = Uanis(C300)
Uanis(C301) = Uanis(C171)
Uanis(C169) = Uanis(C299)
Uanis(C31) = Uanis(C32A)
Uanis(C32) = Uanis(C30A)
Uanis(C30) = Uanis(C31A)
Uanis(C41) = Uanis(C41A)
Uanis(C43) = Uanis(C43A)
Uanis(C42) = Uanis(C42A)
Uanis(C23) = Uanis(C23A)
Uanis(C24) = Uanis(C24A)
Uanis(C21) = Uanis(C21A)
Uanis(C22) = Uanis(C22A)
Uanis(C19) = Uanis(C19A)
Uanis(C20) = Uanis(C20A)
Uanis(C44) = Uanis(C44A)
Uanis(C131) = Uanis(C281)
Uanis(C136) = Uanis(C286)
Uanis(C135) = Uanis(C285)
Uanis(C134) = Uanis(C284)
Uanis(C133) = Uanis(C283)
Uanis(C132) = Uanis(C282)
Uanis(C280) = Uanis(C279)
Uanis(Cl14) = Uanis(Cl16)
Uanis(Cl13) = Uanis(Cl15)
5. Others
 Sof(C19A)=Sof(C24A)=Sof(H24D)=Sof(C23A)=Sof(C22A)=Sof(H22M)=Sof(C21A)=
 Sof(C20A)=Sof(H20S)=Sof(C25A)=Sof(C26A)=Sof(H26D)=Sof(H26E)=Sof(H26F)=
 Sof(C27A)=Sof(H27D)=Sof(H27E)=Sof(H27F)=Sof(C28A)=Sof(H28J)=Sof(H28K)=
 Sof(H28L)=Sof(C29A)=Sof(C30A)=Sof(H30V)=Sof(H30W)=Sof(H30X)=Sof(C31A)=
 Sof(H31D)=Sof(H31E)=Sof(H31F)=Sof(C32A)=Sof(H32D)=Sof(H32E)=Sof(H32F)=1-FVAR(1)
 Sof(C19)=Sof(C24)=Sof(H24)=Sof(C23)=Sof(C22)=Sof(H22)=Sof(C21)=Sof(C20)=
 Sof(H20)=Sof(C25)=Sof(C26)=Sof(H26A)=Sof(H26B)=Sof(H26C)=Sof(C27)=Sof(H27A)=
 Sof(H27B)=Sof(H27C)=Sof(C28)=Sof(H28A)=Sof(H28B)=Sof(H28C)=Sof(C29)=Sof(C30)=
 Sof(H30A)=Sof(H30B)=Sof(H30C)=Sof(C31)=Sof(H31A)=Sof(H31B)=Sof(H31C)=Sof(C32)=
 Sof(H32A)=Sof(H32B)=Sof(H32C)=FVAR(1)
 Sof(C45A)=Sof(C46A)=Sof(H46D)=Sof(H46E)=Sof(H46F)=Sof(C47A)=Sof(H47D)=
 Sof(H47E)=Sof(H47F)=Sof(C48A)=Sof(H48D)=Sof(H48E)=Sof(H48F)=1-FVAR(2)
 Sof(C45)=Sof(C46)=Sof(H46A)=Sof(H46B)=Sof(H46C)=Sof(C47)=Sof(H47A)=Sof(H47B)=
 Sof(H47C)=Sof(C48)=Sof(H48A)=Sof(H48B)=Sof(H48C)=FVAR(2)
 Sof(C303)=Sof(C304)=Sof(H30M)=Sof(H30N)=Sof(H30O)=Sof(C305)=Sof(H30P)=
 Sof(H30Q)=Sof(H30R)=Sof(C306)=Sof(H30S)=Sof(H30T)=Sof(H30U)=1-FVAR(3)
 Sof(C217)=Sof(C218)=Sof(H21A)=Sof(H21B)=Sof(H21C)=Sof(C219)=Sof(H21D)=
 Sof(H21E)=Sof(H21F)=Sof(C220)=Sof(H22A)=Sof(H22B)=Sof(H22C)=FVAR(3)
 Sof(C282)=Sof(H282)=Sof(C281)=Sof(C286)=Sof(H286)=Sof(C285)=Sof(C284)=
 Sof(H284)=Sof(C283)=Sof(C287)=Sof(C288)=Sof(H28D)=Sof(H28E)=Sof(H28F)=
 Sof(C289)=Sof(H28G)=Sof(H28H)=Sof(H28I)=Sof(C290)=Sof(H29A)=Sof(H29B)=
 Sof(H29C)=1-FVAR(4)
 Sof(C131)=Sof(C136)=Sof(H136)=Sof(C135)=Sof(C134)=Sof(H134)=Sof(C133)=
 Sof(C132)=Sof(H132)=Sof(C137)=Sof(C138)=Sof(H13A)=Sof(H13B)=Sof(H13C)=
 Sof(C139)=Sof(H13D)=Sof(H13E)=Sof(H13F)=Sof(C140)=Sof(H14D)=Sof(H14E)=
 Sof(H14F)=FVAR(4)
 Sof(Cl3)=Sof(Cl4)=1-FVAR(5)
 Sof(Cl1)=Sof(Cl2)=FVAR(5)
 Sof(C295)=Sof(C296)=Sof(H29M)=Sof(H29N)=Sof(H29O)=Sof(C297)=Sof(H29P)=
 Sof(H29Q)=Sof(H29R)=Sof(C298)=Sof(H29S)=Sof(H29T)=Sof(H29U)=1-FVAR(6)
 Sof(C157)=Sof(C158)=Sof(H15M)=Sof(H15N)=Sof(H15O)=Sof(C159)=Sof(H15P)=
 Sof(H15Q)=Sof(H15R)=Sof(C160)=Sof(H16D)=Sof(H16E)=Sof(H16F)=FVAR(6)
 Sof(C9A)=Sof(C10A)=Sof(H10M)=Sof(H10N)=Sof(H10O)=Sof(C11A)=Sof(H11M)=
 Sof(H11N)=Sof(H11O)=Sof(C12A)=Sof(H12V)=Sof(H12W)=Sof(H12X)=1-FVAR(7)
 Sof(C9)=Sof(C10)=Sof(H10A)=Sof(H10B)=Sof(H10C)=Sof(C11)=Sof(H11A)=Sof(H11B)=
 Sof(H11C)=Sof(C12)=Sof(H12A)=Sof(H12B)=Sof(H12C)=FVAR(7)
 Sof(C291)=Sof(C292)=Sof(H29D)=Sof(H29E)=Sof(H29F)=Sof(C293)=Sof(H29G)=
 Sof(H29H)=Sof(H29I)=Sof(C294)=Sof(H29J)=Sof(H29K)=Sof(H29L)=1-FVAR(8)
 Sof(C141)=Sof(C142)=Sof(H14G)=Sof(H14H)=Sof(H14I)=Sof(C143)=Sof(H14J)=
 Sof(H14K)=Sof(H14L)=Sof(C144)=Sof(H14M)=Sof(H14N)=Sof(H14O)=FVAR(8)
 Sof(C274)=Sof(H27O)=Sof(H27P)=1-FVAR(9)
 Sof(C273)=Sof(H27Q)=Sof(H27R)=FVAR(9)
 Sof(Cl13)=Sof(Cl14)=Sof(C279)=Sof(H27S)=Sof(H27T)=1-FVAR(10)
 Sof(Cl15)=Sof(Cl16)=Sof(C280)=Sof(H28M)=Sof(H28N)=FVAR(10)
 Sof(C299)=Sof(C300)=Sof(H30D)=Sof(H30E)=Sof(H30F)=Sof(C301)=Sof(H30G)=
 Sof(H30H)=Sof(H30I)=Sof(C302)=Sof(H30J)=Sof(H30K)=Sof(H30L)=1-FVAR(11)
 Sof(C169)=Sof(C170)=Sof(H17A)=Sof(H17B)=Sof(H17C)=Sof(C171)=Sof(H17D)=
 Sof(H17E)=Sof(H17F)=Sof(C172)=Sof(H17G)=Sof(H17H)=Sof(H17I)=FVAR(11)
 Fixed Sof: C41(0.75) C42(0.75) H42A(0.75) H42B(0.75) H42C(0.75) C43(0.75)
 H43A(0.75) H43B(0.75) H43C(0.75) C44(0.75) H44A(0.75) H44B(0.75) H44C(0.75)
 C41A(0.25) C42A(0.25) H42D(0.25) H42E(0.25) H42F(0.25) C43A(0.25) H43D(0.25)
 H43E(0.25) H43F(0.25) C44A(0.25) H44D(0.25) H44E(0.25) H44F(0.25)
6.a Secondary CH2 refined with riding coordinates:
 C277(H27G,H27H), C278(H27I,H27J), C276(H27K,H27L), C275(H27M,H27N), C274(H27O,
 H27P), C273(H27Q,H27R), C279(H27S,H27T), C280(H28M,H28N)
6.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C6(H6), C8(H8), C24(H24), C22(H22), C20(H20), C36(H36), C38(H38),
 C40(H40), C52(H52), C54(H54), C56(H56), C68(H68), C70(H70), C72(H72), C84(H84),
  C86(H86), C88(H88), C100(H100), C102(H102), C104(H104), C116(H116),
 C118(H118), C120(H120), C136(H136), C134(H134), C132(H132), C148(H148),
 C150(H150), C152(H152), C164(H164), C166(H166), C168(H168), C180(H180),
 C182(H182), C184(H184), C196(H196), C198(H198), C200(H200), C212(H212),
 C214(H214), C216(H216), C228(H228), C230(H230), C232(H232), C244(H244),
 C246(H246), C248(H248), C282(H282), C286(H286), C284(H284), C24A(H24D),
 C22A(H22M), C20A(H20S)
6.c Fitted hexagon refined as free rotating group:
 C19(C24,C23,C22,C21,C20), C131(C136,C135,C134,C133,C132), C282(C281,C286,C285,
 C284,C283), C19A(C24A,C23A,C22A,C21A,C20A)
6.d Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C14(H14A,H14B,
 H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C26(H26A,H26B,H26C), C27(H27A,
 H27B,H27C), C28(H28A,H28B,H28C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C),
 C32(H32A,H32B,H32C), C42(H42A,H42B,H42C), C43(H43A,H43B,H43C), C44(H44A,H44B,
 H44C), C46(H46A,H46B,H46C), C47(H47A,H47B,H47C), C48(H48A,H48B,H48C), C58(H58A,
 H58B,H58C), C59(H59A,H59B,H59C), C60(H60A,H60B,H60C), C62(H62A,H62B,H62C),
 C63(H63A,H63B,H63C), C64(H64A,H64B,H64C), C74(H74A,H74B,H74C), C75(H75A,H75B,
 H75C), C76(H76A,H76B,H76C), C78(H78A,H78B,H78C), C79(H79A,H79B,H79C), C80(H80A,
 H80B,H80C), C90(H90A,H90B,H90C), C91(H91A,H91B,H91C), C92(H92A,H92B,H92C),
 C94(H94A,H94B,H94C), C95(H95A,H95B,H95C), C96(H96A,H96B,H96C), C106(H10D,H10E,
 H10F), C107(H10G,H10H,H10I), C108(H10J,H10K,H10L), C110(H11D,H11E,H11F),
 C111(H11G,H11H,H11I), C112(H11J,H11K,H11L), C122(H12D,H12E,H12F), C123(H12G,
 H12H,H12I), C124(H12J,H12K,H12L), C126(H12M,H12N,H12O), C127(H12P,H12Q,H12R),
 C128(H12S,H12T,H12U), C138(H13A,H13B,H13C), C139(H13D,H13E,H13F), C140(H14D,
 H14E,H14F), C142(H14G,H14H,H14I), C143(H14J,H14K,H14L), C144(H14M,H14N,H14O),
 C154(H15D,H15E,H15F), C155(H15G,H15H,H15I), C156(H15J,H15K,H15L), C158(H15M,
 H15N,H15O), C159(H15P,H15Q,H15R), C160(H16D,H16E,H16F), C170(H17A,H17B,H17C),
 C171(H17D,H17E,H17F), C172(H17G,H17H,H17I), C174(H17J,H17K,H17L), C175(H17M,
 H17N,H17O), C176(H17P,H17Q,H17R), C186(H18A,H18B,H18C), C187(H18D,H18E,H18F),
 C188(H18G,H18H,H18I), C190(H19A,H19B,H19C), C191(H19D,H19E,H19F), C192(H19G,
 H19H,H19I), C202(H20A,H20B,H20C), C203(H20D,H20E,H20F), C204(H20G,H20H,H20I),
 C206(H20J,H20K,H20L), C207(H20M,H20N,H20O), C208(H20P,H20Q,H20R), C218(H21A,
 H21B,H21C), C219(H21D,H21E,H21F), C220(H22A,H22B,H22C), C222(H22D,H22E,H22F),
 C223(H22G,H22H,H22I), C224(H22J,H22K,H22L), C234(H23A,H23B,H23C), C235(H23D,
 H23E,H23F), C236(H23G,H23H,H23I), C238(H23J,H23K,H23L), C239(H23M,H23N,H23O),
 C240(H24A,H24B,H24C), C250(H25A,H25B,H25C), C251(H25D,H25E,H25F), C252(H25G,
 H25H,H25I), C254(H25J,H25K,H25L), C255(H25M,H25N,H25O), C256(H25P,H25Q,H25R),
 C288(H28D,H28E,H28F), C289(H28G,H28H,H28I), C290(H29A,H29B,H29C), C292(H29D,
 H29E,H29F), C293(H29G,H29H,H29I), C294(H29J,H29K,H29L), C296(H29M,H29N,H29O),
 C297(H29P,H29Q,H29R), C298(H29S,H29T,H29U), C300(H30D,H30E,H30F), C301(H30G,
 H30H,H30I), C302(H30J,H30K,H30L), C304(H30M,H30N,H30O), C305(H30P,H30Q,H30R),
 C306(H30S,H30T,H30U), C10A(H10M,H10N,H10O), C11A(H11M,H11N,H11O), C12A(H12V,
 H12W,H12X), C26A(H26D,H26E,H26F), C27A(H27D,H27E,H27F), C28A(H28J,H28K,H28L),
 C30A(H30V,H30W,H30X), C31A(H31D,H31E,H31F), C32A(H32D,H32E,H32F), C42A(H42D,
 H42E,H42F), C43A(H43D,H43E,H43F), C44A(H44D,H44E,H44F), C46A(H46D,H46E,H46F),
 C47A(H47D,H47E,H47F), C48A(H48D,H48E,H48F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.61790(2) 0.17414(2) 0.66277(2) 0.03884(5) Uani 1 1 d . . . . .
Ag2 Ag 0.48009(2) 0.22585(2) 0.77573(2) 0.02897(4) Uani 1 1 d . . . . .
Ag3 Ag 0.65466(2) 0.39310(2) 0.75402(2) 0.02685(4) Uani 1 1 d . . . . .
Ag4 Ag 0.65631(2) 0.33755(2) 0.64289(2) 0.03674(5) Uani 1 1 d . . . . .
Ag5 Ag 0.42868(2) 0.38253(2) 0.84313(2) 0.03230(5) Uani 1 1 d . . . . .
Ag6 Ag 0.48102(2) 0.40226(2) 0.71861(2) 0.02889(4) Uani 1 1 d . . . . .
Ag7 Ag 0.69112(2) 0.18768(2) 0.75187(2) 0.02629(4) Uani 1 1 d . . . . .
Ag8 Ag 0.61152(2) 0.30360(2) 0.85432(2) 0.03475(5) Uani 1 1 d . . . . .
Cu1 Cu 0.68122(2) 0.22229(2) 0.58936(2) 0.03753(11) Uani 1 1 d . . . . .
Cu2 Cu 0.60119(2) 0.11085(2) 0.73525(2) 0.02719(9) Uani 1 1 d . . . . .
Cu3 Cu 0.55597(2) 0.31848(2) 0.78953(2) 0.02543(9) Uani 1 1 d . . . . .
Cu4 Cu 0.59880(2) 0.46009(2) 0.68782(2) 0.02530(8) Uani 1 1 d . . . . .
Cu5 Cu 0.48782(2) 0.36785(2) 0.91510(2) 0.02992(10) Uani 1 1 d . . . . .
Cu6 Cu 0.37179(2) 0.36089(2) 0.77934(2) 0.02649(9) Uani 1 1 d . . . . .
Cu7 Cu 0.60049(2) 0.28349(2) 0.71245(2) 0.02729(9) Uani 1 1 d . . . . .
Cu8 Cu 0.73877(2) 0.27663(2) 0.79604(2) 0.02453(8) Uani 1 1 d . . . . .
C1 C 0.71618(15) 0.29762(15) 0.57880(8) 0.0398(8) Uani 1 1 d . . . . .
C2 C 0.74022(14) 0.34659(15) 0.56952(8) 0.0393(8) Uani 1 1 d . . . . .
C3 C 0.77110(14) 0.39846(15) 0.55373(8) 0.0385(8) Uani 1 1 d . . . . .
C4 C 0.74151(14) 0.46654(15) 0.57051(8) 0.0391(8) Uani 1 1 d . . . . .
H4 H 0.7008 0.4773 0.5939 0.047 Uiso 1 1 calc R . . . .
C5 C 0.77007(15) 0.51766(16) 0.55388(9) 0.0457(8) Uani 1 1 d . . . . .
C6 C 0.83088(15) 0.49865(16) 0.51960(9) 0.0453(8) Uani 1 1 d . . . . .
H6 H 0.8518 0.5331 0.5078 0.054 Uiso 1 1 calc R . . . .
C7 C 0.86184(15) 0.43240(17) 0.50219(8) 0.0440(8) Uani 1 1 d . . . . .
C8 C 0.83234(14) 0.38303(16) 0.51959(8) 0.0397(8) Uani 1 1 d . . . . .
H8 H 0.8536 0.3371 0.5084 0.048 Uiso 1 1 calc R . . . .
C9 C 0.7367(2) 0.5913(2) 0.57333(13) 0.0531(9) Uani 0.619(5) 1 d D U P A 1
C10 C 0.6961(4) 0.6327(4) 0.54505(19) 0.087(2) Uani 0.619(5) 1 d D U P A 1
H10A H 0.6649 0.6084 0.5388 0.130 Uiso 0.619(5) 1 calc GR . P A 1
H10B H 0.7307 0.6387 0.5198 0.130 Uiso 0.619(5) 1 calc GR . P A 1
H10C H 0.6662 0.6779 0.5582 0.130 Uiso 0.619(5) 1 calc GR . P A 1
C11 C 0.7971(3) 0.6207(3) 0.5756(2) 0.0713(18) Uani 0.619(5) 1 d D U P A 1
H11A H 0.7775 0.6708 0.5799 0.107 Uiso 0.619(5) 1 calc GR . P A 1
H11B H 0.8361 0.6089 0.5501 0.107 Uiso 0.619(5) 1 calc GR . P A 1
H11C H 0.8162 0.6012 0.5983 0.107 Uiso 0.619(5) 1 calc GR . P A 1
C12 C 0.6876(4) 0.5952(4) 0.61777(18) 0.082(2) Uani 0.619(5) 1 d D U P A 1
H12A H 0.7168 0.5694 0.6351 0.124 Uiso 0.619(5) 1 calc GR . P A 1
H12B H 0.6489 0.5753 0.6182 0.124 Uiso 0.619(5) 1 calc GR . P A 1
H12C H 0.6662 0.6433 0.6280 0.124 Uiso 0.619(5) 1 calc GR . P A 1
C13 C 0.92588(18) 0.4162(2) 0.46332(10) 0.0617(11) Uani 1 1 d . . . . .
C14 C 0.9004(2) 0.4627(3) 0.42973(12) 0.0770(15) Uani 1 1 d . . . . .
H14A H 0.9425 0.4619 0.4068 0.115 Uiso 1 1 calc GR . . . .
H14B H 0.8757 0.5100 0.4410 0.115 Uiso 1 1 calc GR . . . .
H14C H 0.8669 0.4454 0.4203 0.115 Uiso 1 1 calc GR . . . .
C15 C 0.9490(3) 0.3438(3) 0.44755(15) 0.1039(19) Uani 1 1 d . U . . .
H15A H 0.9069 0.3321 0.4445 0.156 Uiso 1 1 calc GR . . . .
H15B H 0.9701 0.3133 0.4667 0.156 Uiso 1 1 calc GR . . . .
H15C H 0.9853 0.3380 0.4210 0.156 Uiso 1 1 calc GR . . . .
C16 C 0.9870(2) 0.4390(3) 0.46980(17) 0.095(2) Uani 1 1 d . . . . .
H16A H 1.0264 0.4309 0.4444 0.142 Uiso 1 1 calc GR . . . .
H16B H 1.0051 0.4127 0.4913 0.142 Uiso 1 1 calc GR . . . .
H16C H 0.9691 0.4881 0.4779 0.142 Uiso 1 1 calc GR . . . .
C17 C 0.65033(16) 0.14399(14) 0.59587(8) 0.0412(8) Uani 1 1 d . . . . .
C18 C 0.63659(16) 0.09180(17) 0.59613(10) 0.0543(9) Uani 1 1 d . . . . .
C19 C 0.64410(12) 0.01562(12) 0.58645(8) 0.0399(11) Uani 0.551(2) 1 d . . P B 1
C24 C 0.61555(19) -0.01707(15) 0.62041(9) 0.0493(9) Uani 0.551(2) 1 d G . P B 1
H24 H 0.5948 0.0071 0.6462 0.059 Uiso 0.551(2) 1 calc R . P B 1
C23 C 0.6173(2) -0.08507(16) 0.61656(13) 0.0572(12) Uani 0.551(2) 1 d G . P B 1
C22 C 0.6476(3) -0.12038(13) 0.57876(15) 0.0583(15) Uani 0.551(2) 1 d G . P B 1
H22 H 0.6488 -0.1669 0.5761 0.070 Uiso 0.551(2) 1 calc R . P B 1
C21 C 0.6762(3) -0.08769(16) 0.54480(12) 0.0514(13) Uani 0.551(2) 1 d G . P B 1
C20 C 0.67441(19) -0.01969(15) 0.54865(8) 0.0476(12) Uani 0.551(2) 1 d G . P B
1
H20 H 0.6939 0.0026 0.5254 0.057 Uiso 0.551(2) 1 calc R . P B 1
C25 C 0.7184(3) -0.1328(3) 0.50262(17) 0.0704(16) Uani 0.551(2) 1 d D . P B 1
C26 C 0.7393(5) -0.0853(4) 0.46906(19) 0.085(2) Uani 0.551(2) 1 d D . P B 1
H26A H 0.7650 -0.1124 0.4433 0.128 Uiso 0.551(2) 1 calc GR . P B 1
H26B H 0.7708 -0.0625 0.4763 0.128 Uiso 0.551(2) 1 calc GR . P B 1
H26C H 0.6954 -0.0506 0.4660 0.128 Uiso 0.551(2) 1 calc GR . P B 1
C27 C 0.6603(3) -0.1592(4) 0.4931(2) 0.091(2) Uani 0.551(2) 1 d D . P B 1
H27A H 0.6840 -0.1999 0.4743 0.136 Uiso 0.551(2) 1 calc GR . P B 1
H27B H 0.6296 -0.1232 0.4804 0.136 Uiso 0.551(2) 1 calc GR . P B 1
H27C H 0.6304 -0.1714 0.5183 0.136 Uiso 0.551(2) 1 calc GR . P B 1
C28 C 0.7882(4) -0.1917(4) 0.5059(2) 0.082(2) Uani 0.551(2) 1 d D . P B 1
H28A H 0.7799 -0.2084 0.5335 0.123 Uiso 0.551(2) 1 calc GR . P B 1
H28B H 0.8295 -0.1737 0.4999 0.123 Uiso 0.551(2) 1 calc GR . P B 1
H28C H 0.7985 -0.2297 0.4863 0.123 Uiso 0.551(2) 1 calc GR . P B 1
C29 C 0.5859(3) -0.1212(3) 0.65567(19) 0.0949(15) Uani 0.551(2) 1 d D U P B 1
C30 C 0.5355(4) -0.1557(4) 0.6433(3) 0.122(3) Uani 0.551(2) 1 d D U P B 1
H30A H 0.5168 -0.1824 0.6657 0.182 Uiso 0.551(2) 1 calc GR . P B 1
H30B H 0.5629 -0.1864 0.6191 0.182 Uiso 0.551(2) 1 calc GR . P B 1
H30C H 0.4949 -0.1202 0.6373 0.182 Uiso 0.551(2) 1 calc GR . P B 1
C31 C 0.6450(5) -0.1837(4) 0.6636(3) 0.101(2) Uani 0.551(2) 1 d D U P B 1
H31A H 0.6926 -0.1776 0.6514 0.152 Uiso 0.551(2) 1 calc GR . P B 1
H31B H 0.6427 -0.2254 0.6515 0.152 Uiso 0.551(2) 1 calc GR . P B 1
H31C H 0.6373 -0.1880 0.6930 0.152 Uiso 0.551(2) 1 calc GR . P B 1
C32 C 0.5616(7) -0.0779(4) 0.6961(2) 0.115(3) Uani 0.551(2) 1 d D U P B 1
H32A H 0.5586 -0.1082 0.7190 0.172 Uiso 0.551(2) 1 calc GR . P B 1
H32B H 0.5139 -0.0442 0.6988 0.172 Uiso 0.551(2) 1 calc GR . P B 1
H32C H 0.5969 -0.0539 0.6961 0.172 Uiso 0.551(2) 1 calc GR . P B 1
C33 C 0.69333(12) 0.10901(12) 0.70337(7) 0.0291(6) Uani 1 1 d . . . . .
C34 C 0.75551(11) 0.09385(12) 0.67933(7) 0.0255(6) Uani 1 1 d . . . . .
C35 C 0.82622(12) 0.07038(12) 0.65211(7) 0.0298(6) Uani 1 1 d . . . . .
C36 C 0.87097(14) 0.00319(14) 0.65584(8) 0.0353(7) Uani 1 1 d . . . . .
H36 H 0.8543 -0.0239 0.6773 0.042 Uiso 1 1 calc R . . . .
C37 C 0.93819(14) -0.02292(17) 0.62868(8) 0.0436(9) Uani 1 1 d . . . . .
C38 C 0.96081(15) 0.01890(16) 0.59751(9) 0.0410(8) Uani 1 1 d . . . . .
H38 H 1.0066 0.0007 0.5781 0.049 Uiso 1 1 calc R . . . .
C39 C 0.91943(14) 0.08532(14) 0.59379(8) 0.0370(7) Uani 1 1 d D . . . .
C40 C 0.85101(13) 0.11062(13) 0.62165(8) 0.0329(7) Uani 1 1 d . . . . .
H40 H 0.8213 0.1559 0.6196 0.039 Uiso 1 1 calc R . . . .
C41 C 0.9870(2) -0.0992(2) 0.63112(11) 0.0537(12) Uani 0.75 1 d D . P C 1
C42 C 1.0096(3) -0.1379(2) 0.59001(13) 0.0705(16) Uani 0.75 1 d D U P C 1
H42A H 0.9667 -0.1432 0.5840 0.106 Uiso 0.75 1 calc GR . P C 1
H42B H 1.0438 -0.1834 0.5908 0.106 Uiso 0.75 1 calc GR . P C 1
H42C H 1.0328 -0.1120 0.5687 0.106 Uiso 0.75 1 calc GR . P C 1
C43 C 1.0556(2) -0.0940(3) 0.64043(17) 0.0751(17) Uani 0.75 1 d D . P C 1
H43A H 1.0822 -0.0726 0.6180 0.113 Uiso 0.75 1 calc GR . P C 1
H43B H 1.0864 -0.1402 0.6436 0.113 Uiso 0.75 1 calc GR . P C 1
H43C H 1.0418 -0.0660 0.6657 0.113 Uiso 0.75 1 calc GR . P C 1
C44 C 0.9517(2) -0.1403(2) 0.66413(14) 0.0562(14) Uani 0.75 1 d D . P C 1
H44A H 0.9415 -0.1180 0.6909 0.084 Uiso 0.75 1 calc GR . P C 1
H44B H 0.9846 -0.1871 0.6629 0.084 Uiso 0.75 1 calc GR . P C 1
H44C H 0.9063 -0.1420 0.6597 0.084 Uiso 0.75 1 calc GR . P C 1
C45 C 0.9552(2) 0.12951(19) 0.56137(12) 0.0389(11) Uani 0.552(3) 1 d D . P D 1
C46 C 0.9716(3) 0.0929(3) 0.52017(13) 0.0501(13) Uani 0.552(3) 1 d D . P D 1
H46A H 0.9297 0.0793 0.5189 0.075 Uiso 0.552(3) 1 calc GR . P D 1
H46B H 1.0139 0.0520 0.5168 0.075 Uiso 0.552(3) 1 calc GR . P D 1
H46C H 0.9819 0.1240 0.4984 0.075 Uiso 0.552(3) 1 calc GR . P D 1
C47 C 0.9024(4) 0.2012(3) 0.5639(2) 0.0636(19) Uani 0.552(3) 1 d D . P D 1
H47A H 0.9248 0.2293 0.5439 0.095 Uiso 0.552(3) 1 calc GR . P D 1
H47B H 0.8899 0.2221 0.5913 0.095 Uiso 0.552(3) 1 calc GR . P D 1
H47C H 0.8584 0.1985 0.5581 0.095 Uiso 0.552(3) 1 calc GR . P D 1
C48 C 1.0271(3) 0.1297(3) 0.56821(15) 0.0447(12) Uani 0.552(3) 1 d . . P D 1
H48A H 1.0572 0.0822 0.5692 0.067 Uiso 0.552(3) 1 calc GR . P D 1
H48B H 1.0175 0.1549 0.5940 0.067 Uiso 0.552(3) 1 calc GR . P D 1
H48C H 1.0527 0.1521 0.5458 0.067 Uiso 0.552(3) 1 calc GR . P D 1
C49 C 0.50717(12) 0.10794(11) 0.75946(7) 0.0272(6) Uani 1 1 d . . . . .
C50 C 0.44470(12) 0.10704(11) 0.77063(7) 0.0262(6) Uani 1 1 d . . . . .
C51 C 0.37134(12) 0.10418(12) 0.78105(7) 0.0256(6) Uani 1 1 d . . . . .
C52 C 0.35639(12) 0.04161(12) 0.78751(8) 0.0302(6) Uani 1 1 d . . . . .
H52 H 0.3949 0.0004 0.7864 0.036 Uiso 1 1 calc R . . . .
C53 C 0.28589(14) 0.03878(13) 0.79547(8) 0.0373(7) Uani 1 1 d . . . . .
C54 C 0.23090(13) 0.09959(14) 0.79694(8) 0.0340(7) Uani 1 1 d . . . . .
H54 H 0.1825 0.0983 0.8027 0.041 Uiso 1 1 calc R . . . .
C55 C 0.24422(11) 0.16302(13) 0.79020(7) 0.0293(6) Uani 1 1 d . . . . .
C56 C 0.31469(11) 0.16505(12) 0.78283(7) 0.0255(6) Uani 1 1 d . . . . .
H56 H 0.3245 0.2078 0.7790 0.031 Uiso 1 1 calc R . . . .
C57 C 0.27179(16) -0.03156(15) 0.80129(11) 0.0521(9) Uani 1 1 d . . . . .
C58 C 0.3119(3) -0.07524(19) 0.76057(15) 0.0862(14) Uani 1 1 d . . . . .
H58A H 0.3007 -0.1188 0.7625 0.129 Uiso 1 1 calc GR . . . .
H58B H 0.3643 -0.0845 0.7553 0.129 Uiso 1 1 calc GR . . . .
H58C H 0.2961 -0.0499 0.7382 0.129 Uiso 1 1 calc GR . . . .
C59 C 0.1918(2) -0.0241(2) 0.8074(3) 0.130(3) Uani 1 1 d . . . . .
H59A H 0.1727 0.0096 0.7890 0.195 Uiso 1 1 calc GR . . . .
H59B H 0.1645 -0.0086 0.8356 0.195 Uiso 1 1 calc GR . . . .
H59C H 0.1869 -0.0687 0.8014 0.195 Uiso 1 1 calc GR . . . .
C60 C 0.3000(2) -0.06758(18) 0.83456(13) 0.0766(13) Uani 1 1 d . . . . .
H60A H 0.2850 -0.1091 0.8402 0.115 Uiso 1 1 calc GR . . . .
H60B H 0.2806 -0.0370 0.8592 0.115 Uiso 1 1 calc GR . . . .
H60C H 0.3530 -0.0804 0.8263 0.115 Uiso 1 1 calc GR . . . .
C61 C 0.18195(12) 0.22850(14) 0.78934(8) 0.0343(7) Uani 1 1 d . . . . .
C62 C 0.20658(15) 0.29264(15) 0.78404(10) 0.0448(8) Uani 1 1 d . . . . .
H62A H 0.2460 0.2870 0.7588 0.067 Uiso 1 1 calc GR . . . .
H62B H 0.2238 0.2993 0.8072 0.067 Uiso 1 1 calc GR . . . .
H62C H 0.1658 0.3328 0.7826 0.067 Uiso 1 1 calc GR . . . .
C63 C 0.15363(15) 0.22280(18) 0.75344(9) 0.0477(9) Uani 1 1 d . . . . .
H63A H 0.1333 0.1844 0.7568 0.071 Uiso 1 1 calc GR . . . .
H63B H 0.1934 0.2147 0.7283 0.071 Uiso 1 1 calc GR . . . .
H63C H 0.1158 0.2656 0.7520 0.071 Uiso 1 1 calc GR . . . .
C64 C 0.12123(17) 0.2374(2) 0.82892(11) 0.0602(12) Uani 1 1 d . . . . .
H64A H 0.0805 0.2778 0.8278 0.090 Uiso 1 1 calc GR . . . .
H64B H 0.1391 0.2438 0.8519 0.090 Uiso 1 1 calc GR . . . .
H64C H 0.1051 0.1964 0.8325 0.090 Uiso 1 1 calc GR . . . .
C65 C 0.58037(11) 0.23132(11) 0.80995(7) 0.0241(6) Uani 1 1 d . . . . .
C66 C 0.58578(11) 0.17871(11) 0.83026(7) 0.0230(6) Uani 1 1 d . . . . .
C68 C 0.53783(11) 0.08640(11) 0.86024(7) 0.0233(6) Uani 1 1 d . . . . .
H68 H 0.4976 0.1042 0.8495 0.028 Uiso 1 1 calc R . . . .
C69 C 0.54300(12) 0.02809(11) 0.88333(7) 0.0252(6) Uani 1 1 d . . . . .
C70 C 0.60276(12) 0.00352(11) 0.89806(7) 0.0271(6) Uani 1 1 d . . . . .
H70 H 0.6069 -0.0366 0.9133 0.032 Uiso 1 1 calc R . . . .
C71 C 0.65748(12) 0.03461(11) 0.89173(7) 0.0242(6) Uani 1 1 d . . . . .
C72 C 0.65174(12) 0.09289(11) 0.86862(7) 0.0248(6) Uani 1 1 d . . . . .
H72 H 0.6882 0.1150 0.8636 0.030 Uiso 1 1 calc R . . . .
C73 C 0.48470(13) -0.00864(12) 0.89304(8) 0.0318(7) Uani 1 1 d . . . . .
C74 C 0.42389(13) 0.02535(15) 0.87423(9) 0.0436(8) Uani 1 1 d . . . . .
H74A H 0.4431 0.0224 0.8445 0.065 Uiso 1 1 calc GR . . . .
H74B H 0.4025 0.0738 0.8839 0.065 Uiso 1 1 calc GR . . . .
H74C H 0.3867 0.0019 0.8821 0.065 Uiso 1 1 calc GR . . . .
C75 C 0.51857(15) -0.08421(13) 0.87796(9) 0.0423(8) Uani 1 1 d . . . . .
H75A H 0.5530 -0.1077 0.8931 0.064 Uiso 1 1 calc GR . . . .
H75B H 0.5440 -0.0871 0.8489 0.064 Uiso 1 1 calc GR . . . .
H75C H 0.4804 -0.1062 0.8823 0.064 Uiso 1 1 calc GR . . . .
C76 C 0.45215(13) -0.00646(13) 0.93961(8) 0.0355(7) Uani 1 1 d . . . . .
H76A H 0.4166 -0.0318 0.9460 0.053 Uiso 1 1 calc GR . . . .
H76B H 0.4283 0.0414 0.9499 0.053 Uiso 1 1 calc GR . . . .
H76C H 0.4909 -0.0276 0.9524 0.053 Uiso 1 1 calc GR . . . .
C77 C 0.71838(12) 0.00704(12) 0.91237(7) 0.0274(6) Uani 1 1 d . . . . .
C78 C 0.77503(12) 0.04465(13) 0.90025(7) 0.0309(6) Uani 1 1 d . . . . .
H78A H 0.7994 0.0361 0.8710 0.046 Uiso 1 1 calc GR . . . .
H78B H 0.8108 0.0279 0.9156 0.046 Uiso 1 1 calc GR . . . .
H78C H 0.7514 0.0941 0.9063 0.046 Uiso 1 1 calc GR . . . .
C79 C 0.75675(14) -0.06948(13) 0.90108(9) 0.0370(7) Uani 1 1 d . . . . .
H79A H 0.7212 -0.0948 0.9084 0.056 Uiso 1 1 calc GR . . . .
H79B H 0.7933 -0.0868 0.9159 0.056 Uiso 1 1 calc GR . . . .
H79C H 0.7804 -0.0759 0.8717 0.056 Uiso 1 1 calc GR . . . .
C80 C 0.68350(13) 0.01768(13) 0.95808(7) 0.0328(7) Uani 1 1 d . . . . .
H80A H 0.6557 0.0662 0.9649 0.049 Uiso 1 1 calc GR . . . .
H80B H 0.7213 0.0043 0.9723 0.049 Uiso 1 1 calc GR . . . .
H80C H 0.6510 -0.0106 0.9666 0.049 Uiso 1 1 calc GR . . . .
C81 C 0.51547(11) 0.41310(11) 0.78413(7) 0.0241(6) Uani 1 1 d . . . . .
C82 C 0.48861(11) 0.47479(12) 0.78637(7) 0.0263(6) Uani 1 1 d . . . . .
C83 C 0.45529(13) 0.54868(11) 0.78997(7) 0.0279(6) Uani 1 1 d . . . . .
C84 C 0.38055(13) 0.57713(13) 0.79941(7) 0.0305(6) Uani 1 1 d . . . . .
H84 H 0.3509 0.5479 0.8028 0.037 Uiso 1 1 calc R . . . .
C85 C 0.34894(14) 0.64728(13) 0.80387(7) 0.0342(7) Uani 1 1 d . . . . .
C86 C 0.39358(15) 0.68851(13) 0.79800(8) 0.0392(8) Uani 1 1 d . . . . .
H86 H 0.3715 0.7369 0.8007 0.047 Uiso 1 1 calc R . . . .
C87 C 0.46837(15) 0.66361(12) 0.78847(8) 0.0383(7) Uani 1 1 d . . . . .
C88 C 0.50038(13) 0.59115(12) 0.78425(8) 0.0327(7) Uani 1 1 d . . . . .
H88 H 0.5515 0.5715 0.7777 0.039 Uiso 1 1 calc R . . . .
C89 C 0.26507(16) 0.68101(16) 0.81576(9) 0.0469(9) Uani 1 1 d . . . . .
C90 C 0.2466(2) 0.7285(2) 0.78157(12) 0.0755(14) Uani 1 1 d . . . . .
H90A H 0.2626 0.7012 0.7559 0.113 Uiso 1 1 calc GR . . . .
H90B H 0.2714 0.7636 0.7787 0.113 Uiso 1 1 calc GR . . . .
H90C H 0.1941 0.7509 0.7885 0.113 Uiso 1 1 calc GR . . . .
C91 C 0.2425(2) 0.7217(2) 0.85550(12) 0.0804(14) Uani 1 1 d . . . . .
H91A H 0.1895 0.7398 0.8648 0.121 Uiso 1 1 calc GR . . . .
H91B H 0.2630 0.7600 0.8517 0.121 Uiso 1 1 calc GR . . . .
H91C H 0.2602 0.6919 0.8759 0.121 Uiso 1 1 calc GR . . . .
C92 C 0.22614(19) 0.6288(2) 0.82004(13) 0.0683(13) Uani 1 1 d . . . . .
H92A H 0.2407 0.5959 0.8400 0.102 Uiso 1 1 calc GR . . . .
H92B H 0.2383 0.6044 0.7937 0.102 Uiso 1 1 calc GR . . . .
H92C H 0.1738 0.6517 0.8293 0.102 Uiso 1 1 calc GR . . . .
C93 C 0.51414(17) 0.71217(14) 0.78414(10) 0.0493(8) Uani 1 1 d . . . . .
C94 C 0.4940(2) 0.76719(18) 0.75509(13) 0.0719(12) Uani 1 1 d . . . . .
H94A H 0.5217 0.7995 0.7538 0.108 Uiso 1 1 calc GR . . . .
H94B H 0.4421 0.7919 0.7647 0.108 Uiso 1 1 calc GR . . . .
H94C H 0.5053 0.7459 0.7279 0.108 Uiso 1 1 calc GR . . . .
C95 C 0.4930(2) 0.74975(17) 0.82720(12) 0.0643(10) Uani 1 1 d . . . . .
H95A H 0.4988 0.7155 0.8478 0.096 Uiso 1 1 calc GR . . . .
H95B H 0.4424 0.7790 0.8339 0.096 Uiso 1 1 calc GR . . . .
H95C H 0.5246 0.7781 0.8267 0.096 Uiso 1 1 calc GR . . . .
C96 C 0.59410(18) 0.67504(17) 0.77213(14) 0.0654(12) Uani 1 1 d . . . . .
H96A H 0.6049 0.6392 0.7913 0.098 Uiso 1 1 calc GR . . . .
H96B H 0.6207 0.7077 0.7727 0.098 Uiso 1 1 calc GR . . . .
H96C H 0.6088 0.6540 0.7446 0.098 Uiso 1 1 calc GR . . . .
C97 C 0.54612(12) 0.43405(12) 0.65706(7) 0.0267(6) Uani 1 1 d . . . . .
C98 C 0.51773(11) 0.42344(11) 0.63175(7) 0.0242(6) Uani 1 1 d . . . . .
C99 C 0.48531(12) 0.41519(12) 0.60070(7) 0.0256(6) Uani 1 1 d . . . . .
C100 C 0.44078(12) 0.47332(13) 0.58683(7) 0.0301(6) Uani 1 1 d . . . . .
H100 H 0.4298 0.5174 0.5994 0.036 Uiso 1 1 calc R . . . .
C101 C 0.41323(13) 0.46660(13) 0.55524(8) 0.0321(7) Uani 1 1 d . . . . .
C102 C 0.42962(13) 0.40052(13) 0.53818(7) 0.0315(6) Uani 1 1 d . . . . .
H102 H 0.4099 0.3954 0.5167 0.038 Uiso 1 1 calc R . . . .
C103 C 0.47296(12) 0.34248(12) 0.55085(7) 0.0295(6) Uani 1 1 d . . . . .
C104 C 0.50111(13) 0.35007(12) 0.58238(7) 0.0296(6) Uani 1 1 d . . . . .
H104 H 0.5313 0.3109 0.5916 0.036 Uiso 1 1 calc R . . . .
C105 C 0.36432(14) 0.52867(14) 0.53866(8) 0.0382(7) Uani 1 1 d . . . . .
C106 C 0.28959(17) 0.5233(2) 0.54707(10) 0.0569(11) Uani 1 1 d . . . . .
H10D H 0.2916 0.4809 0.5337 0.085 Uiso 1 1 calc GR . . . .
H10E H 0.2593 0.5630 0.5366 0.085 Uiso 1 1 calc GR . . . .
H10F H 0.2688 0.5223 0.5765 0.085 Uiso 1 1 calc GR . . . .
C107 C 0.39594(16) 0.52982(18) 0.49176(9) 0.0494(9) Uani 1 1 d . . . . .
H10G H 0.4010 0.4859 0.4789 0.074 Uiso 1 1 calc GR . . . .
H10H H 0.4435 0.5370 0.4858 0.074 Uiso 1 1 calc GR . . . .
H10I H 0.3632 0.5673 0.4811 0.074 Uiso 1 1 calc GR . . . .
C108 C 0.3629(2) 0.59767(19) 0.55573(11) 0.0724(12) Uani 1 1 d . . . . .
H10J H 0.3368 0.6354 0.5418 0.109 Uiso 1 1 calc GR . . . .
H10K H 0.4126 0.5988 0.5513 0.109 Uiso 1 1 calc GR . . . .
H10L H 0.3383 0.6028 0.5850 0.109 Uiso 1 1 calc GR . . . .
C109 C 0.49300(13) 0.27026(13) 0.53066(7) 0.0323(6) Uani 1 1 d . . . . .
C110 C 0.47458(17) 0.21978(14) 0.56221(9) 0.0427(8) Uani 1 1 d . . . . .
H11D H 0.5005 0.2181 0.5827 0.064 Uiso 1 1 calc GR . . . .
H11E H 0.4890 0.1740 0.5489 0.064 Uiso 1 1 calc GR . . . .
H11F H 0.4223 0.2346 0.5754 0.064 Uiso 1 1 calc GR . . . .
C111 C 0.57530(17) 0.24555(17) 0.50989(10) 0.0488(9) Uani 1 1 d . . . . .
H11G H 0.6015 0.2433 0.5304 0.073 Uiso 1 1 calc GR . . . .
H11H H 0.5879 0.2778 0.4894 0.073 Uiso 1 1 calc GR . . . .
H11I H 0.5888 0.1998 0.4967 0.073 Uiso 1 1 calc GR . . . .
C112 C 0.45548(19) 0.27037(16) 0.49761(9) 0.0538(9) Uani 1 1 d . . . . .
H11J H 0.4686 0.2234 0.4863 0.081 Uiso 1 1 calc GR . . . .
H11K H 0.4709 0.2998 0.4759 0.081 Uiso 1 1 calc GR . . . .
H11L H 0.4028 0.2880 0.5094 0.081 Uiso 1 1 calc GR . . . .
C113 C 0.66445(12) 0.48148(12) 0.70982(7) 0.0276(6) Uani 1 1 d . . . . .
C114 C 0.71518(12) 0.49032(12) 0.72020(7) 0.0266(6) Uani 1 1 d . . . . .
C115 C 0.77676(12) 0.50411(12) 0.72757(7) 0.0259(6) Uani 1 1 d . . . . .
C116 C 0.82058(12) 0.45753(12) 0.74809(7) 0.0254(6) Uani 1 1 d . . . . .
H116 H 0.8084 0.4176 0.7583 0.031 Uiso 1 1 calc R . . . .
C117 C 0.88168(12) 0.46936(12) 0.75366(7) 0.0269(6) Uani 1 1 d . . . . .
C118 C 0.89770(12) 0.52873(12) 0.73756(7) 0.0293(6) Uani 1 1 d . . . . .
H118 H 0.9397 0.5372 0.7408 0.035 Uiso 1 1 calc R . . . .
C119 C 0.85535(12) 0.57561(12) 0.71713(7) 0.0293(6) Uani 1 1 d . . . . .
C120 C 0.79374(12) 0.56260(12) 0.71270(7) 0.0255(6) Uani 1 1 d . . . . .
H120 H 0.7631 0.5943 0.6993 0.031 Uiso 1 1 calc R . . . .
C121 C 0.92822(13) 0.41924(14) 0.77736(8) 0.0355(7) Uani 1 1 d . . . . .
C122 C 0.9416(2) 0.3457(2) 0.76492(14) 0.0841(13) Uani 1 1 d . U . . .
H12D H 0.9774 0.3156 0.7773 0.126 Uiso 1 1 calc GR . . . .
H12E H 0.9601 0.3393 0.7352 0.126 Uiso 1 1 calc GR . . . .
H12F H 0.8962 0.3342 0.7741 0.126 Uiso 1 1 calc GR . . . .
C123 C 1.0025(2) 0.4290(3) 0.76953(17) 0.0902(15) Uani 1 1 d . U . . .
H12G H 0.9969 0.4778 0.7732 0.135 Uiso 1 1 calc GR . . . .
H12H H 1.0312 0.4125 0.7416 0.135 Uiso 1 1 calc GR . . . .
H12I H 1.0271 0.4028 0.7888 0.135 Uiso 1 1 calc GR . . . .
C124 C 0.8937(2) 0.4315(3) 0.82100(12) 0.1034(16) Uani 1 1 d . U . . .
H12J H 0.9054 0.4697 0.8310 0.155 Uiso 1 1 calc GR . . . .
H12K H 0.9114 0.3900 0.8351 0.155 Uiso 1 1 calc GR . . . .
H12L H 0.8411 0.4431 0.8262 0.155 Uiso 1 1 calc GR . . . .
C125 C 0.87744(14) 0.63848(13) 0.69858(8) 0.0349(7) Uani 1 1 d . . . . .
C126 C 0.9427(2) 0.61272(18) 0.66203(12) 0.0809(13) Uani 1 1 d . . . . .
H12M H 0.9572 0.6518 0.6492 0.121 Uiso 1 1 calc GR . . . .
H12N H 0.9303 0.5882 0.6424 0.121 Uiso 1 1 calc GR . . . .
H12O H 0.9829 0.5815 0.6708 0.121 Uiso 1 1 calc GR . . . .
C127 C 0.89922(15) 0.67447(14) 0.72910(10) 0.0460(8) Uani 1 1 d . . . . .
H12P H 0.9430 0.6437 0.7347 0.069 Uiso 1 1 calc GR . . . .
H12Q H 0.8597 0.6864 0.7544 0.069 Uiso 1 1 calc GR . . . .
H12R H 0.9089 0.7164 0.7177 0.069 Uiso 1 1 calc GR . . . .
C128 C 0.81776(18) 0.69067(15) 0.68528(11) 0.0588(9) Uani 1 1 d . . . . .
H12S H 0.8327 0.7314 0.6764 0.088 Uiso 1 1 calc GR . . . .
H12T H 0.7737 0.7039 0.7082 0.088 Uiso 1 1 calc GR . . . .
H12U H 0.8081 0.6706 0.6627 0.088 Uiso 1 1 calc GR . . . .
C129 C 0.39657(13) 0.41858(13) 0.90955(8) 0.0327(7) Uani 1 1 d . . . . .
C130 C 0.33659(14) 0.44808(13) 0.90784(8) 0.0353(7) Uani 1 1 d . . . . .
C131 C 0.26156(12) 0.48890(12) 0.91559(8) 0.0357(8) Uani 0.513(2) 1 d . . P E 1
C136 C 0.22976(15) 0.54800(14) 0.94112(10) 0.0404(9) Uani 0.513(2) 1 d G . P E
1
H136 H 0.2587 0.5659 0.9528 0.048 Uiso 0.513(2) 1 calc R . P E 1
C135 C 0.15568(16) 0.58089(18) 0.94963(14) 0.0527(12) Uani 0.513(2) 1 d G . P E
1
C134 C 0.11340(12) 0.5547(2) 0.93261(15) 0.0435(15) Uani 0.513(2) 1 d G . P E 1
H134 H 0.0628 0.5771 0.9384 0.052 Uiso 0.513(2) 1 calc R . P E 1
C133 C 0.14520(15) 0.49557(19) 0.90708(13) 0.0454(13) Uani 0.513(2) 1 d G . P E
1
C132 C 0.21928(15) 0.46268(15) 0.89857(10) 0.0343(12) Uani 0.513(2) 1 d G . P E
1
H132 H 0.2410 0.4223 0.8811 0.041 Uiso 0.513(2) 1 calc R . P E 1
C137 C 0.1011(3) 0.4674(3) 0.88634(17) 0.0602(12) Uani 0.513(2) 1 d D U P E 1
C138 C 0.0188(3) 0.5053(5) 0.9005(3) 0.088(2) Uani 0.513(2) 1 d D U P E 1
H13A H 0.0091 0.5515 0.8899 0.132 Uiso 0.513(2) 1 calc GR . P E 1
H13B H 0.0023 0.5089 0.9303 0.132 Uiso 0.513(2) 1 calc GR . P E 1
H13C H -0.0071 0.4796 0.8902 0.132 Uiso 0.513(2) 1 calc GR . P E 1
C139 C 0.1292(4) 0.4687(4) 0.83966(18) 0.0686(14) Uani 0.513(2) 1 d D U P E 1
H13D H 0.0994 0.4517 0.8268 0.103 Uiso 0.513(2) 1 calc GR . P E 1
H13E H 0.1797 0.4392 0.8305 0.103 Uiso 0.513(2) 1 calc GR . P E 1
H13F H 0.1266 0.5159 0.8320 0.103 Uiso 0.513(2) 1 calc GR . P E 1
C140 C 0.1108(4) 0.3915(3) 0.8953(3) 0.0732(15) Uani 0.513(2) 1 d D U P E 1
H14D H 0.0859 0.3728 0.8798 0.110 Uiso 0.513(2) 1 calc GR . P E 1
H14E H 0.0901 0.3875 0.9245 0.110 Uiso 0.513(2) 1 calc GR . P E 1
H14F H 0.1625 0.3657 0.8873 0.110 Uiso 0.513(2) 1 calc GR . P E 1
C141 C 0.1194(2) 0.6435(2) 0.97884(14) 0.0660(13) Uani 0.755(4) 1 d D U P E 1
C142 C 0.0695(3) 0.7014(3) 0.95928(18) 0.096(2) Uani 0.755(4) 1 d D U P E 1
H14G H 0.0483 0.7428 0.9775 0.144 Uiso 0.755(4) 1 calc GR . P E 1
H14H H 0.0306 0.6857 0.9550 0.144 Uiso 0.755(4) 1 calc GR . P E 1
H14I H 0.0982 0.7120 0.9331 0.144 Uiso 0.755(4) 1 calc GR . P E 1
C143 C 0.1735(2) 0.6736(2) 0.98803(15) 0.0656(14) Uani 0.755(4) 1 d D U P E 1
H14J H 0.2024 0.6865 0.9626 0.098 Uiso 0.755(4) 1 calc GR . P E 1
H14K H 0.2056 0.6393 1.0009 0.098 Uiso 0.755(4) 1 calc GR . P E 1
H14L H 0.1477 0.7144 1.0065 0.098 Uiso 0.755(4) 1 calc GR . P E 1
C144 C 0.0706(3) 0.6237(3) 1.01670(16) 0.0801(18) Uani 0.755(4) 1 d D U P E 1
H14M H 0.0487 0.6628 1.0367 0.120 Uiso 0.755(4) 1 calc GR . P E 1
H14N H 0.0994 0.5846 1.0285 0.120 Uiso 0.755(4) 1 calc GR . P E 1
H14O H 0.0324 0.6109 1.0094 0.120 Uiso 0.755(4) 1 calc GR . P E 1
C145 C 0.57724(14) 0.31427(13) 0.92290(8) 0.0327(7) Uani 1 1 d . . . . .
C146 C 0.63345(13) 0.27847(12) 0.92880(7) 0.0302(7) Uani 1 1 d . . . . .
C147 C 0.69815(12) 0.23824(12) 0.93924(7) 0.0282(6) Uani 1 1 d . . . . .
C148 C 0.69351(12) 0.20548(11) 0.97632(7) 0.0255(6) Uani 1 1 d . . . . .
H148 H 0.6473 0.2078 0.9941 0.031 Uiso 1 1 calc R . . . .
C149 C 0.75442(12) 0.17047(11) 0.98719(7) 0.0268(6) Uani 1 1 d . . . . .
C150 C 0.82244(12) 0.16748(12) 0.96011(7) 0.0286(6) Uani 1 1 d . . . . .
H150 H 0.8652 0.1436 0.9675 0.034 Uiso 1 1 calc R . . . .
C151 C 0.82882(12) 0.19819(12) 0.92311(8) 0.0316(7) Uani 1 1 d . . . . .
C152 C 0.76585(13) 0.23452(12) 0.91285(8) 0.0304(7) Uani 1 1 d . . . . .
H152 H 0.7691 0.2568 0.8878 0.036 Uiso 1 1 calc R . . . .
C153 C 0.75289(13) 0.13513(13) 1.02795(7) 0.0326(6) Uani 1 1 d . . . . .
C154 C 0.77114(16) 0.17858(15) 1.05632(8) 0.0458(8) Uani 1 1 d . . . . .
H15D H 0.7743 0.1546 1.0814 0.069 Uiso 1 1 calc GR . . . .
H15E H 0.7331 0.2230 1.0630 0.069 Uiso 1 1 calc GR . . . .
H15F H 0.8177 0.1860 1.0428 0.069 Uiso 1 1 calc GR . . . .
C155 C 0.80762(15) 0.06244(14) 1.02174(9) 0.0401(8) Uani 1 1 d . . . . .
H15G H 0.7987 0.0356 1.0017 0.060 Uiso 1 1 calc GR . . . .
H15H H 0.8021 0.0398 1.0477 0.060 Uiso 1 1 calc GR . . . .
H15I H 0.8570 0.0656 1.0119 0.060 Uiso 1 1 calc GR . . . .
C156 C 0.67685(14) 0.12905(14) 1.04947(8) 0.0381(7) Uani 1 1 d . . . . .
H15J H 0.6667 0.0955 1.0341 0.057 Uiso 1 1 calc GR . . . .
H15K H 0.6403 0.1739 1.0508 0.057 Uiso 1 1 calc GR . . . .
H15L H 0.6754 0.1139 1.0771 0.057 Uiso 1 1 calc GR . . . .
C157 C 0.9033(2) 0.1913(2) 0.89435(13) 0.0404(8) Uani 0.607(4) 1 d D . P F 1
C158 C 0.9657(2) 0.1654(3) 0.91383(15) 0.0527(13) Uani 0.607(4) 1 d D . P F 1
H15M H 0.9652 0.1211 0.9256 0.079 Uiso 0.607(4) 1 calc GR . P F 1
H15N H 0.9599 0.1988 0.9353 0.079 Uiso 0.607(4) 1 calc GR . P F 1
H15O H 1.0118 0.1598 0.8930 0.079 Uiso 0.607(4) 1 calc GR . P F 1
C159 C 0.9056(3) 0.2617(2) 0.8793(2) 0.0644(15) Uani 0.607(4) 1 d D . P F 1
H15P H 0.9497 0.2565 0.8569 0.097 Uiso 0.607(4) 1 calc GR . P F 1
H15Q H 0.9058 0.2902 0.9016 0.097 Uiso 0.607(4) 1 calc GR . P F 1
H15R H 0.8630 0.2837 0.8697 0.097 Uiso 0.607(4) 1 calc GR . P F 1
C160 C 0.9165(3) 0.1416(3) 0.85923(15) 0.0630(15) Uani 0.607(4) 1 d D . P F 1
H16D H 0.9670 0.1308 0.8426 0.094 Uiso 0.607(4) 1 calc GR . P F 1
H16E H 0.8842 0.1626 0.8424 0.094 Uiso 0.607(4) 1 calc GR . P F 1
H16F H 0.9070 0.0992 0.8699 0.094 Uiso 0.607(4) 1 calc GR . P F 1
C161 C 0.35549(11) 0.43253(13) 0.74417(7) 0.0278(6) Uani 1 1 d . . . . .
C162 C 0.34667(12) 0.48336(13) 0.72452(7) 0.0299(6) Uani 1 1 d . . . . .
C163 C 0.32879(12) 0.54702(12) 0.70424(7) 0.0283(6) Uani 1 1 d . . . . .
C164 C 0.25967(14) 0.57477(15) 0.69952(9) 0.0427(8) Uani 1 1 d . . . . .
H164 H 0.2246 0.5512 0.7089 0.051 Uiso 1 1 calc R . . . .
C165 C 0.24142(17) 0.63826(17) 0.68071(10) 0.0556(10) Uani 1 1 d . . . . .
C166 C 0.29422(18) 0.66994(16) 0.66690(9) 0.0499(10) Uani 1 1 d . . . . .
H166 H 0.2828 0.7115 0.6533 0.060 Uiso 1 1 calc R . . . .
C167 C 0.36384(16) 0.64394(13) 0.67188(8) 0.0381(8) Uani 1 1 d . . . . .
C168 C 0.37974(14) 0.58197(13) 0.69039(8) 0.0341(7) Uani 1 1 d . . . . .
H168 H 0.4269 0.5626 0.6938 0.041 Uiso 1 1 calc R . . . .
C169 C 0.1687(3) 0.6753(2) 0.67387(14) 0.0622(11) Uani 0.677(4) 1 d D U P G 1
C170 C 0.1373(3) 0.7452(3) 0.69878(19) 0.096(2) Uani 0.677(4) 1 d D U P G 1
H17A H 0.1448 0.7383 0.7259 0.144 Uiso 0.677(4) 1 calc GR . P G 1
H17B H 0.0854 0.7638 0.7014 0.144 Uiso 0.677(4) 1 calc GR . P G 1
H17C H 0.1621 0.7775 0.6848 0.144 Uiso 0.677(4) 1 calc GR . P G 1
C171 C 0.1157(3) 0.6350(3) 0.6935(3) 0.103(2) Uani 0.677(4) 1 d D U P G 1
H17D H 0.1410 0.5856 0.6889 0.155 Uiso 0.677(4) 1 calc GR . P G 1
H17E H 0.0754 0.6470 0.6811 0.155 Uiso 0.677(4) 1 calc GR . P G 1
H17F H 0.0969 0.6468 0.7228 0.155 Uiso 0.677(4) 1 calc GR . P G 1
C172 C 0.1723(3) 0.6894(4) 0.63005(14) 0.0804(17) Uani 0.677(4) 1 d D U P G 1
H17G H 0.2022 0.7197 0.6203 0.121 Uiso 0.677(4) 1 calc GR . P G 1
H17H H 0.1232 0.7117 0.6276 0.121 Uiso 0.677(4) 1 calc GR . P G 1
H17I H 0.1936 0.6460 0.6136 0.121 Uiso 0.677(4) 1 calc GR . P G 1
C173 C 0.4181(2) 0.68493(16) 0.65848(11) 0.0572(11) Uani 1 1 d . . . . .
C174 C 0.4909(2) 0.64797(19) 0.66858(13) 0.0669(12) Uani 1 1 d . . . . .
H17J H 0.5238 0.6758 0.6602 0.100 Uiso 1 1 calc GR . . . .
H17K H 0.5131 0.6029 0.6540 0.100 Uiso 1 1 calc GR . . . .
H17L H 0.4814 0.6420 0.6980 0.100 Uiso 1 1 calc GR . . . .
C175 C 0.3888(2) 0.75393(19) 0.68273(12) 0.0716(12) Uani 1 1 d . . . . .
H17M H 0.3868 0.7460 0.7114 0.107 Uiso 1 1 calc GR . . . .
H17N H 0.3400 0.7780 0.6805 0.107 Uiso 1 1 calc GR . . . .
H17O H 0.4208 0.7820 0.6718 0.107 Uiso 1 1 calc GR . . . .
C176 C 0.4331(3) 0.6976(2) 0.61366(12) 0.0845(14) Uani 1 1 d . . . . .
H17P H 0.3875 0.7218 0.6074 0.127 Uiso 1 1 calc GR . . . .
H17Q H 0.4556 0.6535 0.5979 0.127 Uiso 1 1 calc GR . . . .
H17R H 0.4660 0.7257 0.6065 0.127 Uiso 1 1 calc GR . . . .
C177 C 0.37884(11) 0.30052(12) 0.82101(7) 0.0262(6) Uani 1 1 d . . . . .
C178 C 0.37011(11) 0.27002(11) 0.85336(7) 0.0249(6) Uani 1 1 d . . . . .
C179 C 0.35166(12) 0.23828(11) 0.89079(7) 0.0253(6) Uani 1 1 d . . . . .
C180 C 0.29087(12) 0.21513(12) 0.90061(8) 0.0289(6) Uani 1 1 d . . . . .
H180 H 0.2635 0.2189 0.8816 0.035 Uiso 1 1 calc R . . . .
C181 C 0.26991(12) 0.18672(12) 0.93772(8) 0.0303(6) Uani 1 1 d . . . . .
C182 C 0.31117(13) 0.18125(12) 0.96479(8) 0.0306(7) Uani 1 1 d . . . . .
H182 H 0.2976 0.1611 0.9901 0.037 Uiso 1 1 calc R . . . .
C183 C 0.37299(12) 0.20462(11) 0.95607(7) 0.0260(6) Uani 1 1 d . . . . .
C184 C 0.39192(12) 0.23312(11) 0.91896(7) 0.0270(6) Uani 1 1 d . . . . .
H184 H 0.4328 0.2495 0.9124 0.032 Uiso 1 1 calc R . . . .
C185 C 0.20242(13) 0.16160(13) 0.94765(8) 0.0369(7) Uani 1 1 d . . . . .
C186 C 0.19068(16) 0.12833(19) 0.98818(10) 0.0654(10) Uani 1 1 d . . . . .
H18A H 0.2351 0.0919 0.9888 0.098 Uiso 1 1 calc GR . . . .
H18B H 0.1510 0.1085 0.9919 0.098 Uiso 1 1 calc GR . . . .
H18C H 0.1783 0.1630 1.0102 0.098 Uiso 1 1 calc GR . . . .
C187 C 0.21079(15) 0.10923(15) 0.91409(11) 0.0502(9) Uani 1 1 d . . . . .
H18D H 0.2129 0.1318 0.8882 0.075 Uiso 1 1 calc GR . . . .
H18E H 0.1692 0.0914 0.9213 0.075 Uiso 1 1 calc GR . . . .
H18F H 0.2555 0.0712 0.9114 0.075 Uiso 1 1 calc GR . . . .
C188 C 0.13493(15) 0.22368(16) 0.94916(10) 0.0455(9) Uani 1 1 d . . . . .
H18G H 0.1317 0.2594 0.9685 0.068 Uiso 1 1 calc GR . . . .
H18H H 0.0914 0.2090 0.9579 0.068 Uiso 1 1 calc GR . . . .
H18I H 0.1389 0.2421 0.9220 0.068 Uiso 1 1 calc GR . . . .
C189 C 0.41588(13) 0.20198(12) 0.98699(7) 0.0285(6) Uani 1 1 d . . . . .
C190 C 0.38973(14) 0.16502(13) 1.02510(8) 0.0354(7) Uani 1 1 d . . . . .
H19A H 0.4164 0.1675 1.0447 0.053 Uiso 1 1 calc GR . . . .
H19B H 0.3982 0.1167 1.0176 0.053 Uiso 1 1 calc GR . . . .
H19C H 0.3378 0.1871 1.0374 0.053 Uiso 1 1 calc GR . . . .
C191 C 0.40558(14) 0.27642(12) 1.00059(8) 0.0346(7) Uani 1 1 d . . . . .
H19D H 0.4328 0.2757 1.0204 0.052 Uiso 1 1 calc GR . . . .
H19E H 0.3540 0.2997 1.0132 0.052 Uiso 1 1 calc GR . . . .
H19F H 0.4234 0.3011 0.9769 0.052 Uiso 1 1 calc GR . . . .
C192 C 0.49686(13) 0.16629(14) 0.96748(8) 0.0349(7) Uani 1 1 d . . . . .
H19G H 0.5145 0.1911 0.9438 0.052 Uiso 1 1 calc GR . . . .
H19H H 0.5041 0.1189 0.9588 0.052 Uiso 1 1 calc GR . . . .
H19I H 0.5237 0.1661 0.9874 0.052 Uiso 1 1 calc GR . . . .
C193 C 0.69297(11) 0.29104(11) 0.70500(7) 0.0251(6) Uani 1 1 d . . . . .
C194 C 0.75725(11) 0.28827(11) 0.69474(7) 0.0251(6) Uani 1 1 d . . . . .
C195 C 0.83277(12) 0.28199(12) 0.68239(7) 0.0282(6) Uani 1 1 d . . . . .
C196 C 0.88153(12) 0.22469(13) 0.69316(8) 0.0338(7) Uani 1 1 d . . . . .
H196 H 0.8639 0.1911 0.7089 0.041 Uiso 1 1 calc R . . . .
C197 C 0.95582(13) 0.21597(15) 0.68121(8) 0.0407(7) Uani 1 1 d . . . . .
C198 C 0.97867(12) 0.26629(15) 0.65820(8) 0.0411(7) Uani 1 1 d . . . . .
H198 H 1.0291 0.2611 0.6498 0.049 Uiso 1 1 calc R . . . .
C199 C 0.93086(11) 0.32519(14) 0.64650(7) 0.0346(6) Uani 1 1 d . . . . .
C200 C 0.85747(12) 0.33261(13) 0.65932(7) 0.0302(6) Uani 1 1 d . . . . .
H200 H 0.8238 0.3719 0.6525 0.036 Uiso 1 1 calc R . . . .
C201 C 1.00811(15) 0.15232(19) 0.69454(11) 0.0556(10) Uani 1 1 d . . . . .
C202 C 0.9918(2) 0.0875(2) 0.68820(15) 0.0768(14) Uani 1 1 d . . . . .
H20A H 1.0126 0.0522 0.7053 0.115 Uiso 1 1 calc GR . . . .
H20B H 1.0129 0.0713 0.6595 0.115 Uiso 1 1 calc GR . . . .
H20C H 0.9392 0.0964 0.6956 0.115 Uiso 1 1 calc GR . . . .
C203 C 0.99132(18) 0.1587(2) 0.74307(11) 0.0624(12) Uani 1 1 d . . . . .
H20D H 1.0193 0.1162 0.7526 0.094 Uiso 1 1 calc GR . . . .
H20E H 0.9395 0.1663 0.7557 0.094 Uiso 1 1 calc GR . . . .
H20F H 1.0049 0.1976 0.7506 0.094 Uiso 1 1 calc GR . . . .
C204 C 1.08594(17) 0.1459(2) 0.67731(12) 0.0682(13) Uani 1 1 d . . . . .
H20G H 1.0957 0.1860 0.6865 0.102 Uiso 1 1 calc GR . . . .
H20H H 1.0982 0.1435 0.6475 0.102 Uiso 1 1 calc GR . . . .
H20I H 1.1154 0.1040 0.6865 0.102 Uiso 1 1 calc GR . . . .
C205 C 0.96138(14) 0.37809(16) 0.62041(8) 0.0432(8) Uani 1 1 d . . . . .
C206 C 1.0140(2) 0.3429(2) 0.58029(12) 0.0831(13) Uani 1 1 d . . . . .
H20J H 1.0317 0.3771 0.5632 0.125 Uiso 1 1 calc GR . . . .
H20K H 0.9891 0.3218 0.5661 0.125 Uiso 1 1 calc GR . . . .
H20L H 1.0551 0.3074 0.5858 0.125 Uiso 1 1 calc GR . . . .
C207 C 1.00193(15) 0.40738(17) 0.64307(11) 0.0561(9) Uani 1 1 d . . . . .
H20M H 1.0369 0.3696 0.6521 0.084 Uiso 1 1 calc GR . . . .
H20N H 0.9674 0.4360 0.6668 0.084 Uiso 1 1 calc GR . . . .
H20O H 1.0277 0.4354 0.6249 0.084 Uiso 1 1 calc GR . . . .
C208 C 0.90206(17) 0.43751(18) 0.61125(10) 0.0600(10) Uani 1 1 d . . . . .
H20P H 0.8639 0.4556 0.6365 0.090 Uiso 1 1 calc GR . . . .
H20Q H 0.8816 0.4214 0.5921 0.090 Uiso 1 1 calc GR . . . .
H20R H 0.9224 0.4739 0.5992 0.090 Uiso 1 1 calc GR . . . .
C209 C 0.51857(11) 0.26780(12) 0.70475(7) 0.0272(6) Uani 1 1 d . . . . .
C210 C 0.47028(12) 0.25592(12) 0.69356(7) 0.0268(6) Uani 1 1 d . . . . .
C211 C 0.41264(11) 0.24588(13) 0.67942(7) 0.0281(6) Uani 1 1 d . . . . .
C212 C 0.40966(13) 0.18032(13) 0.67374(8) 0.0329(7) Uani 1 1 d . . . . .
H212 H 0.4451 0.1418 0.6799 0.039 Uiso 1 1 calc R . . . .
C213 C 0.35619(13) 0.17020(14) 0.65935(8) 0.0353(7) Uani 1 1 d . . . . .
C214 C 0.30478(13) 0.22884(14) 0.65063(8) 0.0393(7) Uani 1 1 d . . . . .
H214 H 0.2678 0.2224 0.6405 0.047 Uiso 1 1 calc R . . . .
C215 C 0.30569(12) 0.29539(15) 0.65618(8) 0.0362(7) Uani 1 1 d . . . . .
C216 C 0.36160(12) 0.30360(13) 0.67054(7) 0.0305(6) Uani 1 1 d . . . . .
H216 H 0.3647 0.3483 0.6742 0.037 Uiso 1 1 calc R . . . .
C217 C 0.3567(3) 0.0952(3) 0.65432(15) 0.0398(8) Uani 0.420(3) 1 d D . P H 1
C218 C 0.3717(5) 0.0814(4) 0.60843(17) 0.061(3) Uani 0.420(3) 1 d D . P H 1
H21A H 0.3940 0.0320 0.6016 0.092 Uiso 0.420(3) 1 calc GR . P H 1
H21B H 0.4046 0.1062 0.5933 0.092 Uiso 0.420(3) 1 calc GR . P H 1
H21C H 0.3260 0.0972 0.6010 0.092 Uiso 0.420(3) 1 calc GR . P H 1
C219 C 0.2841(3) 0.0872(3) 0.6784(3) 0.050(2) Uani 0.420(3) 1 d D . P H 1
H21D H 0.2839 0.0402 0.6739 0.076 Uiso 0.420(3) 1 calc GR . P H 1
H21E H 0.2452 0.1199 0.6693 0.076 Uiso 0.420(3) 1 calc GR . P H 1
H21F H 0.2765 0.0964 0.7074 0.076 Uiso 0.420(3) 1 calc GR . P H 1
C220 C 0.4173(3) 0.0380(3) 0.6658(2) 0.049(2) Uani 0.420(3) 1 d D . P H 1
H22A H 0.4123 0.0432 0.6949 0.074 Uiso 0.420(3) 1 calc GR . P H 1
H22B H 0.4646 0.0414 0.6499 0.074 Uiso 0.420(3) 1 calc GR . P H 1
H22C H 0.4134 -0.0070 0.6598 0.074 Uiso 0.420(3) 1 calc GR . P H 1
C221 C 0.24962(13) 0.35607(17) 0.64616(9) 0.0438(8) Uani 1 1 d . . . . .
C222 C 0.2482(2) 0.3496(3) 0.60148(12) 0.0870(15) Uani 1 1 d . . . . .
H22D H 0.2445 0.3043 0.5961 0.131 Uiso 1 1 calc GR . . . .
H22E H 0.2929 0.3549 0.5831 0.131 Uiso 1 1 calc GR . . . .
H22F H 0.2064 0.3855 0.5970 0.131 Uiso 1 1 calc GR . . . .
C223 C 0.1752(2) 0.3644(2) 0.67549(16) 0.0891(16) Uani 1 1 d . . . . .
H22G H 0.1383 0.3985 0.6656 0.134 Uiso 1 1 calc GR . . . .
H22H H 0.1741 0.3798 0.7025 0.134 Uiso 1 1 calc GR . . . .
H22I H 0.1652 0.3202 0.6773 0.134 Uiso 1 1 calc GR . . . .
C224 C 0.26515(18) 0.4235(2) 0.64880(14) 0.0753(13) Uani 1 1 d . . . . .
H22J H 0.3154 0.4184 0.6334 0.113 Uiso 1 1 calc GR . . . .
H22K H 0.2577 0.4362 0.6774 0.113 Uiso 1 1 calc GR . . . .
H22L H 0.2323 0.4595 0.6373 0.113 Uiso 1 1 calc GR . . . .
C225 C 0.69019(11) 0.36795(11) 0.81419(7) 0.0243(6) Uani 1 1 d . . . . .
C226 C 0.66245(11) 0.42760(12) 0.82903(6) 0.0236(6) Uani 1 1 d . . . . .
C227 C 0.63557(12) 0.49426(12) 0.84836(6) 0.0243(6) Uani 1 1 d . . . . .
C228 C 0.56429(12) 0.51822(12) 0.87308(7) 0.0274(6) Uani 1 1 d . . . . .
H228 H 0.5326 0.4913 0.8751 0.033 Uiso 1 1 calc R . . . .
C229 C 0.53935(13) 0.58175(12) 0.89482(7) 0.0289(6) Uani 1 1 d . . . . .
C230 C 0.58688(14) 0.62013(12) 0.89064(7) 0.0303(7) Uani 1 1 d . . . . .
H230 H 0.5702 0.6630 0.9056 0.036 Uiso 1 1 calc R . . . .
C231 C 0.65744(13) 0.59886(12) 0.86576(7) 0.0288(6) Uani 1 1 d . . . . .
C232 C 0.68153(13) 0.53534(12) 0.84445(7) 0.0282(6) Uani 1 1 d . . . . .
H232 H 0.7296 0.5196 0.8271 0.034 Uiso 1 1 calc R . . . .
C233 C 0.46179(14) 0.60437(14) 0.92411(9) 0.0391(8) Uani 1 1 d . . . . .
C234 C 0.44233(18) 0.67449(17) 0.94376(11) 0.0596(10) Uani 1 1 d . . . . .
H23A H 0.4450 0.7082 0.9227 0.089 Uiso 1 1 calc GR . . . .
H23B H 0.4763 0.6745 0.9594 0.089 Uiso 1 1 calc GR . . . .
H23C H 0.3929 0.6866 0.9620 0.089 Uiso 1 1 calc GR . . . .
C235 C 0.45708(19) 0.5551(2) 0.95839(11) 0.0619(11) Uani 1 1 d . . . . .
H23D H 0.4804 0.5654 0.9780 0.093 Uiso 1 1 calc GR . . . .
H23E H 0.4818 0.5077 0.9472 0.093 Uiso 1 1 calc GR . . . .
H23F H 0.4061 0.5602 0.9722 0.093 Uiso 1 1 calc GR . . . .
C236 C 0.40705(15) 0.60364(17) 0.90144(10) 0.0483(9) Uani 1 1 d . . . . .
H23G H 0.3592 0.6112 0.9209 0.072 Uiso 1 1 calc GR . . . .
H23H H 0.4219 0.5590 0.8867 0.072 Uiso 1 1 calc GR . . . .
H23I H 0.4047 0.6402 0.8820 0.072 Uiso 1 1 calc GR . . . .
C237 C 0.70959(14) 0.64170(12) 0.86354(8) 0.0347(7) Uani 1 1 d . . . . .
C238 C 0.75456(17) 0.61294(17) 0.89245(10) 0.0521(9) Uani 1 1 d . . . . .
H23J H 0.7226 0.6160 0.9202 0.078 Uiso 1 1 calc GR . . . .
H23K H 0.7880 0.6394 0.8916 0.078 Uiso 1 1 calc GR . . . .
H23L H 0.7823 0.5647 0.8843 0.078 Uiso 1 1 calc GR . . . .
C239 C 0.75842(15) 0.63871(14) 0.82028(9) 0.0439(8) Uani 1 1 d . . . . .
H23M H 0.7877 0.5910 0.8119 0.066 Uiso 1 1 calc GR . . . .
H23N H 0.7904 0.6668 0.8194 0.066 Uiso 1 1 calc GR . . . .
H23O H 0.7285 0.6565 0.8017 0.066 Uiso 1 1 calc GR . . . .
C240 C 0.66824(17) 0.71799(14) 0.87569(10) 0.0495(9) Uani 1 1 d . . . . .
H24A H 0.6340 0.7354 0.8594 0.074 Uiso 1 1 calc GR . . . .
H24B H 0.7027 0.7444 0.8707 0.074 Uiso 1 1 calc GR . . . .
H24C H 0.6416 0.7228 0.9047 0.074 Uiso 1 1 calc GR . . . .
C241 C 0.77947(11) 0.18216(12) 0.78608(7) 0.0253(6) Uani 1 1 d . . . . .
C242 C 0.79838(12) 0.11904(12) 0.78284(7) 0.0271(6) Uani 1 1 d . . . . .
C243 C 0.82140(13) 0.04493(12) 0.78190(7) 0.0282(6) Uani 1 1 d . . . . .
C244 C 0.77340(13) 0.00996(12) 0.77818(7) 0.0293(7) Uani 1 1 d . . . . .
H244 H 0.7271 0.0353 0.7753 0.035 Uiso 1 1 calc R . . . .
C245 C 0.79239(15) -0.06110(12) 0.77859(8) 0.0333(7) Uani 1 1 d . . . . .
C246 C 0.86128(15) -0.09604(14) 0.78303(8) 0.0382(8) Uani 1 1 d . . . . .
H246 H 0.8757 -0.1448 0.7826 0.046 Uiso 1 1 calc R . . . .
C247 C 0.90884(15) -0.06364(14) 0.78788(8) 0.0382(8) Uani 1 1 d . . . . .
C248 C 0.88844(13) 0.00902(13) 0.78674(8) 0.0327(7) Uani 1 1 d . . . . .
H248 H 0.9208 0.0329 0.7893 0.039 Uiso 1 1 calc R . . . .
C249 C 0.74104(16) -0.10016(13) 0.77330(9) 0.0392(8) Uani 1 1 d . . . . .
C250 C 0.66455(16) -0.05268(15) 0.77695(11) 0.0483(9) Uani 1 1 d . . . . .
H25A H 0.6638 -0.0284 0.7518 0.072 Uiso 1 1 calc GR . . . .
H25B H 0.6498 -0.0192 0.7999 0.072 Uiso 1 1 calc GR . . . .
H25C H 0.6309 -0.0800 0.7815 0.072 Uiso 1 1 calc GR . . . .
C251 C 0.7336(2) -0.15350(16) 0.80604(12) 0.0650(11) Uani 1 1 d . . . . .
H25D H 0.7170 -0.1304 0.8332 0.098 Uiso 1 1 calc GR . . . .
H25E H 0.7808 -0.1884 0.8028 0.098 Uiso 1 1 calc GR . . . .
H25F H 0.6984 -0.1756 0.8029 0.098 Uiso 1 1 calc GR . . . .
C252 C 0.7713(2) -0.1370(2) 0.73091(11) 0.0667(11) Uani 1 1 d . . . . .
H25G H 0.7337 -0.1520 0.7244 0.100 Uiso 1 1 calc GR . . . .
H25H H 0.8131 -0.1771 0.7307 0.100 Uiso 1 1 calc GR . . . .
H25I H 0.7864 -0.1054 0.7106 0.100 Uiso 1 1 calc GR . . . .
C253 C 0.98195(16) -0.10244(17) 0.79571(10) 0.0496(10) Uani 1 1 d . . . . .
C254 C 0.9782(2) -0.0876(3) 0.83779(13) 0.1081(18) Uani 1 1 d . U . . .
H25J H 0.9290 -0.0819 0.8552 0.162 Uiso 1 1 calc GR . . . .
H25K H 0.9906 -0.0452 0.8395 0.162 Uiso 1 1 calc GR . . . .
H25L H 1.0125 -0.1258 0.8470 0.162 Uiso 1 1 calc GR . . . .
C255 C 0.9958(3) -0.1819(2) 0.79079(19) 0.0963(19) Uani 1 1 d . . . . .
H25M H 1.0449 -0.2066 0.7922 0.144 Uiso 1 1 calc GR . . . .
H25N H 0.9906 -0.1929 0.7644 0.144 Uiso 1 1 calc GR . . . .
H25O H 0.9605 -0.1959 0.8127 0.144 Uiso 1 1 calc GR . . . .
C256 C 1.0421(2) -0.0886(3) 0.76320(16) 0.0818(16) Uani 1 1 d . . . . .
H25P H 1.0422 -0.0414 0.7671 0.123 Uiso 1 1 calc GR . . . .
H25Q H 1.0352 -0.0944 0.7365 0.123 Uiso 1 1 calc GR . . . .
H25R H 1.0885 -0.1208 0.7646 0.123 Uiso 1 1 calc GR . . . .
C282 C 0.22664(12) 0.47364(12) 0.88189(8) 0.0343(12) Uani 0.487(2) 1 d . . P E
2
H282 H 0.2508 0.4372 0.8617 0.041 Uiso 0.487(2) 1 calc R . P E 2
C281 C 0.26212(16) 0.48729(16) 0.90862(10) 0.0357(8) Uani 0.487(2) 1 d G . P E
2
C286 C 0.2268(2) 0.5407(2) 0.93818(11) 0.0404(9) Uani 0.487(2) 1 d G . P E 2
H286 H 0.2511 0.5500 0.9565 0.048 Uiso 0.487(2) 1 calc R . P E 2
C285 C 0.1560(2) 0.58038(19) 0.94100(12) 0.0527(12) Uani 0.487(2) 1 d G . P E 2
C284 C 0.12054(16) 0.56673(17) 0.91427(13) 0.0435(15) Uani 0.487(2) 1 d G . P E
2
H284 H 0.0722 0.5939 0.9162 0.052 Uiso 0.487(2) 1 calc R . P E 2
C283 C 0.15585(13) 0.51336(15) 0.88472(11) 0.0454(13) Uani 0.487(2) 1 d G . P E
2
C287 C 0.1142(3) 0.4977(3) 0.85578(18) 0.0602(12) Uani 0.487(2) 1 d D . P E 2
C288 C 0.0501(4) 0.5599(4) 0.8526(3) 0.088(2) Uani 0.487(2) 1 d D . P E 2
H28D H 0.0473 0.5987 0.8696 0.132 Uiso 0.487(2) 1 calc GR . P E 2
H28E H 0.0050 0.5479 0.8621 0.132 Uiso 0.487(2) 1 calc GR . P E 2
H28F H 0.0571 0.5727 0.8242 0.132 Uiso 0.487(2) 1 calc GR . P E 2
C289 C 0.1637(4) 0.4800(4) 0.8116(2) 0.0686(14) Uani 0.487(2) 1 d D . P E 2
H28G H 0.1361 0.4708 0.7942 0.103 Uiso 0.487(2) 1 calc GR . P E 2
H28H H 0.2050 0.4393 0.8112 0.103 Uiso 0.487(2) 1 calc GR . P E 2
H28I H 0.1813 0.5189 0.8016 0.103 Uiso 0.487(2) 1 calc GR . P E 2
C290 C 0.0899(3) 0.4341(3) 0.8707(3) 0.0732(15) Uani 0.487(2) 1 d D . P E 2
H29A H 0.0551 0.4294 0.8567 0.110 Uiso 0.487(2) 1 calc GR . P E 2
H29B H 0.0669 0.4398 0.9001 0.110 Uiso 0.487(2) 1 calc GR . P E 2
H29C H 0.1321 0.3928 0.8647 0.110 Uiso 0.487(2) 1 calc GR . P E 2
C291 C 0.1165(3) 0.6510(4) 0.9678(2) 0.0660(13) Uani 0.245(4) 1 d D . P E 2
C292 C 0.1026(8) 0.7165(4) 0.9431(3) 0.096(2) Uani 0.245(4) 1 d D . P E 2
H29D H 0.1490 0.7221 0.9274 0.144 Uiso 0.245(4) 1 calc GR . P E 2
H29E H 0.0751 0.7567 0.9619 0.144 Uiso 0.245(4) 1 calc GR . P E 2
H29F H 0.0748 0.7121 0.9245 0.144 Uiso 0.245(4) 1 calc GR . P E 2
C293 C 0.1642(4) 0.6573(6) 0.9944(2) 0.0656(14) Uani 0.245(4) 1 d D . P E 2
H29G H 0.1816 0.6130 1.0061 0.098 Uiso 0.245(4) 1 calc GR . P E 2
H29H H 0.1357 0.6923 1.0165 0.098 Uiso 0.245(4) 1 calc GR . P E 2
H29I H 0.2056 0.6707 0.9778 0.098 Uiso 0.245(4) 1 calc GR . P E 2
C294 C 0.0438(4) 0.6425(6) 0.9931(4) 0.0801(18) Uani 0.245(4) 1 d D . P E 2
H29J H 0.0119 0.6465 0.9756 0.120 Uiso 0.245(4) 1 calc GR . P E 2
H29K H 0.0208 0.6784 1.0151 0.120 Uiso 0.245(4) 1 calc GR . P E 2
H29L H 0.0524 0.5972 1.0048 0.120 Uiso 0.245(4) 1 calc GR . P E 2
C295 C 0.9046(3) 0.1914(3) 0.89069(16) 0.0404(8) Uani 0.393(4) 1 d D U P F 2
C296 C 0.9438(4) 0.1148(3) 0.8805(3) 0.0527(13) Uani 0.393(4) 1 d D U P F 2
H29M H 0.9137 0.0942 0.8701 0.079 Uiso 0.393(4) 1 calc GR . P F 2
H29N H 0.9527 0.0922 0.9051 0.079 Uiso 0.393(4) 1 calc GR . P F 2
H29O H 0.9901 0.1089 0.8598 0.079 Uiso 0.393(4) 1 calc GR . P F 2
C297 C 0.9445(3) 0.2274(4) 0.9104(3) 0.0644(15) Uani 0.393(4) 1 d D U P F 2
H29P H 0.9927 0.2226 0.8920 0.097 Uiso 0.393(4) 1 calc GR . P F 2
H29Q H 0.9493 0.2063 0.9361 0.097 Uiso 0.393(4) 1 calc GR . P F 2
H29R H 0.9169 0.2762 0.9158 0.097 Uiso 0.393(4) 1 calc GR . P F 2
C298 C 0.8980(4) 0.2259(5) 0.85114(19) 0.0630(15) Uani 0.393(4) 1 d D U P F 2
H29S H 0.9462 0.2245 0.8339 0.094 Uiso 0.393(4) 1 calc GR . P F 2
H29T H 0.8675 0.2738 0.8572 0.094 Uiso 0.393(4) 1 calc GR . P F 2
H29U H 0.8760 0.2016 0.8368 0.094 Uiso 0.393(4) 1 calc GR . P F 2
C299 C 0.1570(4) 0.6650(3) 0.6854(2) 0.0622(11) Uani 0.323(4) 1 d D . P G 2
C300 C 0.1417(7) 0.7350(4) 0.6665(3) 0.096(2) Uani 0.323(4) 1 d D . P G 2
H30D H 0.1566 0.7664 0.6807 0.144 Uiso 0.323(4) 1 calc GR . P G 2
H30E H 0.0897 0.7538 0.6692 0.144 Uiso 0.323(4) 1 calc GR . P G 2
H30F H 0.1688 0.7297 0.6377 0.144 Uiso 0.323(4) 1 calc GR . P G 2
C301 C 0.1047(7) 0.6703(7) 0.7283(2) 0.103(2) Uani 0.323(4) 1 d D . P G 2
H30G H 0.1140 0.6251 0.7401 0.155 Uiso 0.323(4) 1 calc GR . P G 2
H30H H 0.0546 0.6864 0.7267 0.155 Uiso 0.323(4) 1 calc GR . P G 2
H30I H 0.1123 0.7030 0.7456 0.155 Uiso 0.323(4) 1 calc GR . P G 2
C302 C 0.1377(4) 0.6147(4) 0.6614(2) 0.0804(17) Uani 0.323(4) 1 d D . P G 2
H30J H 0.1752 0.6004 0.6354 0.121 Uiso 0.323(4) 1 calc GR . P G 2
H30K H 0.0908 0.6375 0.6563 0.121 Uiso 0.323(4) 1 calc GR . P G 2
H30L H 0.1348 0.5742 0.6773 0.121 Uiso 0.323(4) 1 calc GR . P G 2
C303 C 0.3529(2) 0.0986(2) 0.64802(12) 0.0398(8) Uani 0.580(3) 1 d D . P H 2
C304 C 0.4251(3) 0.0604(3) 0.61648(16) 0.0516(16) Uani 0.580(3) 1 d D . P H 2
H30M H 0.4210 0.0185 0.6058 0.077 Uiso 0.580(3) 1 calc GR . P H 2
H30N H 0.4644 0.0482 0.6296 0.077 Uiso 0.580(3) 1 calc GR . P H 2
H30O H 0.4358 0.0903 0.5941 0.077 Uiso 0.580(3) 1 calc GR . P H 2
C305 C 0.2894(2) 0.1010(3) 0.63169(19) 0.0638(17) Uani 0.580(3) 1 d D . P H 2
H30P H 0.2950 0.1229 0.6055 0.096 Uiso 0.580(3) 1 calc GR . P H 2
H30Q H 0.2441 0.1276 0.6511 0.096 Uiso 0.580(3) 1 calc GR . P H 2
H30R H 0.2883 0.0541 0.6279 0.096 Uiso 0.580(3) 1 calc GR . P H 2
C306 C 0.3464(3) 0.0597(2) 0.68728(14) 0.0474(14) Uani 0.580(3) 1 d D . P H 2
H30S H 0.3490 0.0123 0.6813 0.071 Uiso 0.580(3) 1 calc GR . P H 2
H30T H 0.2999 0.0825 0.7071 0.071 Uiso 0.580(3) 1 calc GR . P H 2
H30U H 0.3861 0.0593 0.6986 0.071 Uiso 0.580(3) 1 calc GR . P H 2
C9A C 0.7390(3) 0.5889(3) 0.56968(18) 0.0531(9) Uani 0.381(5) 1 d D . P A 2
C10A C 0.6626(4) 0.6178(6) 0.5645(3) 0.087(2) Uani 0.381(5) 1 d D . P A 2
H10M H 0.6652 0.6155 0.5356 0.130 Uiso 0.381(5) 1 calc GR . P A 2
H10N H 0.6417 0.6658 0.5750 0.130 Uiso 0.381(5) 1 calc GR . P A 2
H10O H 0.6322 0.5907 0.5796 0.130 Uiso 0.381(5) 1 calc GR . P A 2
C11A C 0.7813(4) 0.6384(4) 0.5508(4) 0.0713(18) Uani 0.381(5) 1 d D . P A 2
H11M H 0.8207 0.6336 0.5633 0.107 Uiso 0.381(5) 1 calc GR . P A 2
H11N H 0.7488 0.6857 0.5556 0.107 Uiso 0.381(5) 1 calc GR . P A 2
H11O H 0.8017 0.6276 0.5214 0.107 Uiso 0.381(5) 1 calc GR . P A 2
C12A C 0.7273(7) 0.5910(6) 0.6164(2) 0.082(2) Uani 0.381(5) 1 d D . P A 2
H12V H 0.7136 0.5506 0.6276 0.124 Uiso 0.381(5) 1 calc GR . P A 2
H12W H 0.6886 0.6329 0.6288 0.124 Uiso 0.381(5) 1 calc GR . P A 2
H12X H 0.7722 0.5907 0.6222 0.124 Uiso 0.381(5) 1 calc GR . P A 2
C19A C 0.61245(16) 0.03510(14) 0.59555(10) 0.0399(11) Uani 0.449(2) 1 d . . P B
-2
C24A C 0.6175(2) -0.01542(18) 0.62388(11) 0.0493(9) Uani 0.449(2) 1 d G . P B
-2
H24D H 0.6309 -0.0087 0.6476 0.059 Uiso 0.449(2) 1 calc R . P B -2
C23A C 0.6030(3) -0.07579(18) 0.61754(17) 0.0572(12) Uani 0.449(2) 1 d G . P B
-2
C22A C 0.5834(3) -0.0856(2) 0.5829(2) 0.0583(15) Uani 0.449(2) 1 d G . P B -2
H22M H 0.5734 -0.1269 0.5785 0.070 Uiso 0.449(2) 1 calc R . P B -2
C21A C 0.5783(3) -0.0351(2) 0.55453(16) 0.0514(13) Uani 0.449(2) 1 d G . P B -2
C20A C 0.5929(2) 0.0253(2) 0.56087(11) 0.0476(12) Uani 0.449(2) 1 d G . P B -2
H20S H 0.5894 0.0598 0.5415 0.057 Uiso 0.449(2) 1 calc R . P B -2
C25A C 0.5592(3) -0.0475(3) 0.5149(2) 0.0704(16) Uani 0.449(2) 1 d D . P B -2
C26A C 0.5458(6) 0.0168(4) 0.4898(2) 0.085(2) Uani 0.449(2) 1 d D . P B -2
H26D H 0.5126 0.0564 0.5078 0.128 Uiso 0.449(2) 1 calc GR . P B -2
H26E H 0.5243 0.0092 0.4686 0.128 Uiso 0.449(2) 1 calc GR . P B -2
H26F H 0.5919 0.0257 0.4771 0.128 Uiso 0.449(2) 1 calc GR . P B -2
C27A C 0.4866(4) -0.0636(4) 0.5265(3) 0.091(2) Uani 0.449(2) 1 d D . P B -2
H27D H 0.4867 -0.0971 0.5477 0.136 Uiso 0.449(2) 1 calc GR . P B -2
H27E H 0.4801 -0.0826 0.5024 0.136 Uiso 0.449(2) 1 calc GR . P B -2
H27F H 0.4468 -0.0212 0.5367 0.136 Uiso 0.449(2) 1 calc GR . P B -2
C28A C 0.6169(6) -0.1106(4) 0.4911(3) 0.082(2) Uani 0.449(2) 1 d D . P B -2
H28J H 0.6630 -0.1005 0.4809 0.123 Uiso 0.449(2) 1 calc GR . P B -2
H28K H 0.6021 -0.1225 0.4681 0.123 Uiso 0.449(2) 1 calc GR . P B -2
H28L H 0.6228 -0.1492 0.5090 0.123 Uiso 0.449(2) 1 calc GR . P B -2
C29A C 0.5951(3) -0.1296(3) 0.6473(2) 0.0949(15) Uani 0.449(2) 1 d D . P B -2
C30A C 0.6436(6) -0.2027(4) 0.6304(4) 0.115(3) Uani 0.449(2) 1 d D . P B -2
H30V H 0.6927 -0.2016 0.6164 0.172 Uiso 0.449(2) 1 calc GR . P B -2
H30W H 0.6236 -0.2192 0.6111 0.172 Uiso 0.449(2) 1 calc GR . P B -2
H30X H 0.6452 -0.2338 0.6529 0.172 Uiso 0.449(2) 1 calc GR . P B -2
C31A C 0.5147(3) -0.1274(6) 0.6628(4) 0.122(3) Uani 0.449(2) 1 d D . P B -2
H31D H 0.4899 -0.0942 0.6861 0.182 Uiso 0.449(2) 1 calc GR . P B -2
H31E H 0.5120 -0.1731 0.6711 0.182 Uiso 0.449(2) 1 calc GR . P B -2
H31F H 0.4914 -0.1135 0.6409 0.182 Uiso 0.449(2) 1 calc GR . P B -2
C32A C 0.6258(4) -0.1244(5) 0.6828(2) 0.101(2) Uani 0.449(2) 1 d D . P B -2
H32D H 0.6762 -0.1246 0.6722 0.152 Uiso 0.449(2) 1 calc GR . P B -2
H32E H 0.6237 -0.1636 0.7000 0.152 Uiso 0.449(2) 1 calc GR . P B -2
H32F H 0.5971 -0.0815 0.6991 0.152 Uiso 0.449(2) 1 calc GR . P B -2
C41A C 0.9997(4) -0.0845(4) 0.63120(19) 0.0537(12) Uani 0.25 1 d D . P C 2
C42A C 1.0249(9) -0.1195(5) 0.5885(2) 0.0705(16) Uani 0.25 1 d D . P C 2
H42D H 0.9886 -0.1399 0.5851 0.106 Uiso 0.25 1 calc GR . P C 2
H42E H 1.0713 -0.1555 0.5852 0.106 Uiso 0.25 1 calc GR . P C 2
H42F H 1.0307 -0.0853 0.5680 0.106 Uiso 0.25 1 calc GR . P C 2
C43A C 1.0698(4) -0.0707(6) 0.6329(4) 0.0751(17) Uani 0.25 1 d D . P C 2
H43D H 1.0798 -0.0361 0.6135 0.113 Uiso 0.25 1 calc GR . P C 2
H43E H 1.1102 -0.1135 0.6259 0.113 Uiso 0.25 1 calc GR . P C 2
H43F H 1.0639 -0.0539 0.6605 0.113 Uiso 0.25 1 calc GR . P C 2
C44A C 0.9652(6) -0.1186(5) 0.6685(3) 0.0562(14) Uani 0.25 1 d D . P C 2
H44D H 0.9522 -0.0886 0.6929 0.084 Uiso 0.25 1 calc GR . P C 2
H44E H 0.9998 -0.1627 0.6715 0.084 Uiso 0.25 1 calc GR . P C 2
H44F H 0.9215 -0.1263 0.6651 0.084 Uiso 0.25 1 calc GR . P C 2
C45A C 0.9376(2) 0.1291(2) 0.55583(13) 0.0389(11) Uani 0.448(3) 1 d D . P D 2
C46A C 0.8881(3) 0.1383(4) 0.52803(15) 0.0447(12) Uani 0.448(3) 1 d D . P D 2
H46D H 0.8997 0.1702 0.5070 0.067 Uiso 0.448(3) 1 calc GR . P D 2
H46E H 0.8375 0.1570 0.5442 0.067 Uiso 0.448(3) 1 calc GR . P D 2
H46F H 0.8955 0.0937 0.5151 0.067 Uiso 0.448(3) 1 calc GR . P D 2
C47A C 0.9253(5) 0.2020(3) 0.5711(2) 0.0636(19) Uani 0.448(3) 1 d D . P D 2
H47D H 0.9563 0.2010 0.5888 0.095 Uiso 0.448(3) 1 calc GR . P D 2
H47E H 0.8744 0.2221 0.5865 0.095 Uiso 0.448(3) 1 calc GR . P D 2
H47F H 0.9373 0.2300 0.5478 0.095 Uiso 0.448(3) 1 calc GR . P D 2
C48A C 1.0154(3) 0.1020(4) 0.5289(2) 0.0501(13) Uani 0.448(3) 1 d D . P D 2
H48D H 1.0290 0.0519 0.5251 0.075 Uiso 0.448(3) 1 calc GR . P D 2
H48E H 1.0479 0.1139 0.5420 0.075 Uiso 0.448(3) 1 calc GR . P D 2
H48F H 1.0191 0.1227 0.5024 0.075 Uiso 0.448(3) 1 calc GR . P D 2
C1AA C 0.59219(11) 0.11868(11) 0.85290(7) 0.0239(6) Uani 1 1 d . . . . .
Cl9 Cl 0.84631(13) -0.18263(12) 0.59941(8) 0.1634(10) Uani 1 1 d . . . . .
Cl10 Cl 0.84678(10) -0.05371(11) 0.55722(6) 0.1460(7) Uani 1 1 d . . . . .
C277 C 0.80455(16) -0.09655(17) 0.59819(13) 0.0576(10) Uani 1 1 d . . . . .
H27G H 0.8012 -0.0740 0.6240 0.069 Uiso 1 1 calc R . . . .
H27H H 0.7544 -0.0900 0.5971 0.069 Uiso 1 1 calc R . . . .
Cl11 Cl 0.67298(12) 0.09915(10) 0.39752(9) 0.1616(10) Uani 1 1 d . . . . .
Cl12 Cl 0.79040(9) 0.07633(10) 0.32262(6) 0.1323(6) Uani 1 1 d . . . . .
C278 C 0.7669(4) 0.0673(6) 0.3743(3) 0.188(4) Uani 1 1 d . . . . .
H27I H 0.7919 0.0919 0.3868 0.226 Uiso 1 1 calc R . . . .
H27J H 0.7842 0.0180 0.3797 0.226 Uiso 1 1 calc R . . . .
Cl7 Cl 0.99737(6) -0.09369(7) 0.99503(5) 0.0931(4) Uani 1 1 d . . . . .
Cl8 Cl 1.06196(9) -0.04943(13) 0.91358(5) 0.1455(8) Uani 1 1 d . . . . .
C276 C 0.9867(5) -0.0699(6) 0.9462(2) 0.193(4) Uani 1 1 d . . . . .
H27K H 0.9788 -0.1082 0.9332 0.232 Uiso 1 1 calc R . . . .
H27L H 0.9429 -0.0295 0.9496 0.232 Uiso 1 1 calc R . . . .
Cl5 Cl 0.66808(6) 0.52423(6) 0.98317(3) 0.0752(3) Uani 1 1 d . . . . .
Cl6 Cl 0.76225(8) 0.41950(7) 0.91841(5) 0.1057(5) Uani 1 1 d . . . . .
C275 C 0.6743(2) 0.4694(3) 0.94279(10) 0.0719(13) Uani 1 1 d . . . . .
H27M H 0.6448 0.4385 0.9536 0.086 Uiso 1 1 calc R . . . .
H27N H 0.6534 0.4977 0.9225 0.086 Uiso 1 1 calc R . . . .
Cl3 Cl 0.11151(17) 0.41903(16) 0.97735(14) 0.1415(11) Uani 0.4883(16) 1 d D U P
I 2
Cl4 Cl 0.18441(12) 0.32867(11) 1.02968(6) 0.0745(5) Uani 0.4883(16) 1 d D U P I
2
C274 C 0.1975(3) 0.3693(4) 0.9812(2) 0.0783(18) Uani 0.441(7) 1 d D U P I 2
H27O H 0.2287 0.3989 0.9799 0.094 Uiso 0.441(7) 1 calc R . P I 2
H27P H 0.2211 0.3339 0.9586 0.094 Uiso 0.441(7) 1 calc R . P I 2
Cl1 Cl -0.21421(11) 0.65380(11) 1.00511(6) 0.0745(5) Uani 0.5117(16) 1 d D . P
I 1
Cl2 Cl -0.07602(16) 0.56115(15) 0.96351(14) 0.1415(11) Uani 0.5117(16) 1 d D .
P I 1
C273 C -0.1668(3) 0.5677(3) 0.9899(3) 0.0783(18) Uani 0.559(7) 1 d D . P I 1
H27Q H -0.1896 0.5506 0.9719 0.094 Uiso 0.559(7) 1 calc R . P I 1
H27R H -0.1682 0.5393 1.0140 0.094 Uiso 0.559(7) 1 calc R . P I 1
Cl13 Cl 0.7886(4) 0.2367(3) 0.4761(3) 0.1461(11) Uani 0.2257(18) 1 d D . P J 2
Cl14 Cl 0.7465(3) 0.1200(3) 0.47858(19) 0.1115(7) Uani 0.2257(18) 1 d D . P J 2
C279 C 0.7761(5) 0.1679(4) 0.5082(3) 0.0615(15) Uani 0.2257(18) 1 d D . P J 2
H27S H 0.8220 0.1403 0.5136 0.074 Uiso 0.2257(18) 1 calc R . P J 2
H27T H 0.7390 0.1852 0.5344 0.074 Uiso 0.2257(18) 1 calc R . P J 2
Cl15 Cl 0.77150(13) 0.20139(13) 0.45366(9) 0.1461(11) Uani 0.7743(18) 1 d D . P
J 1
Cl16 Cl 0.81992(10) 0.05580(11) 0.46721(6) 0.1115(7) Uani 0.7743(18) 1 d D . P
J 1
C280 C 0.7802(3) 0.1445(2) 0.49520(14) 0.0615(15) Uani 0.7743(18) 1 d D . P J 1
H28M H 0.7326 0.1494 0.5150 0.074 Uiso 0.7743(18) 1 calc R . P J 1
H28N H 0.8134 0.1532 0.5095 0.074 Uiso 0.7743(18) 1 calc R . P J 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Cu1 2.7763(5) . ?
Ag1 Cu2 2.7383(4) . ?
Ag1 Cu7 2.7369(5) . ?
Ag1 C17 2.254(3) . ?
Ag1 C33 2.412(3) . ?
Ag1 C209 2.454(2) . ?
Ag2 Cu2 2.8788(3) . ?
Ag2 Cu3 2.8958(5) . ?
Ag2 Cu6 2.9354(4) . ?
Ag2 C49 2.356(2) . ?
Ag2 C65 2.634(3) . ?
Ag2 C177 2.3300(19) . ?
Ag2 C209 2.538(2) . ?
Ag3 Cu3 2.8517(4) . ?
Ag3 Cu4 2.9191(4) . ?
Ag3 Cu8 3.0416(4) . ?
Ag3 C81 2.615(2) . ?
Ag3 C113 2.331(2) . ?
Ag3 C114 2.701(3) . ?
Ag3 C193 2.516(2) . ?
Ag3 C225 2.352(2) . ?
Ag4 Cu1 2.8737(5) . ?
Ag4 Cu4 2.7424(4) . ?
Ag4 Cu7 2.6880(4) . ?
Ag4 C1 2.236(3) . ?
Ag4 C2 2.646(3) . ?
Ag4 C97 2.424(2) . ?
Ag4 C193 2.502(3) . ?
Ag5 Cu3 2.6824(3) . ?
Ag5 Cu5 2.9898(5) . ?
Ag5 Cu6 2.8376(5) . ?
Ag5 C81 2.478(2) . ?
Ag5 C129 2.269(3) . ?
Ag5 C130 2.565(2) . ?
Ag5 C177 2.437(3) . ?
Ag6 Cu4 2.8947(4) . ?
Ag6 Cu6 2.8894(4) . ?
Ag6 Cu7 2.8186(4) . ?
Ag6 C81 2.561(2) . ?
Ag6 C97 2.337(2) . ?
Ag6 C161 2.328(2) . ?
Ag6 C162 2.669(2) . ?
Ag6 C209 2.643(2) . ?
Ag7 Cu2 2.9082(5) . ?
Ag7 Cu3 3.1811(3) . ?
Ag7 Cu7 2.8266(4) . ?
Ag7 Cu8 2.9319(4) . ?
Ag7 C33 2.337(3) . ?
Ag7 C65 2.4891(19) . ?
Ag7 C193 2.607(2) . ?
Ag7 C241 2.364(3) . ?
Ag7 C242 2.662(2) . ?
Ag8 Cu3 2.7178(5) . ?
Ag8 Cu5 2.7588(4) . ?
Ag8 Cu8 2.6930(4) . ?
Ag8 C65 2.480(3) . ?
Ag8 C145 2.254(2) . ?
Ag8 C225 2.461(2) . ?
Cu1 C1 1.865(3) . ?
Cu1 C17 1.872(3) . ?
Cu2 C33 1.866(2) . ?
Cu2 C49 1.866(2) . ?
Cu3 Cu7 2.5914(5) . ?
Cu3 C65 1.862(2) . ?
Cu3 C81 1.881(2) . ?
Cu4 C97 1.879(3) . ?
Cu4 C113 1.855(3) . ?
Cu5 C129 1.876(3) . ?
Cu5 C145 1.889(3) . ?
Cu6 C161 1.869(2) . ?
Cu6 C177 1.857(2) . ?
Cu7 C193 1.865(2) . ?
Cu7 C209 1.864(3) . ?
Cu8 C225 1.862(2) . ?
Cu8 C241 1.857(2) . ?
C1 C2 1.235(5) . ?
C2 C3 1.406(4) . ?
C3 C4 1.410(4) . ?
C3 C8 1.407(3) . ?
C4 C5 1.374(5) . ?
C5 C6 1.406(4) . ?
C5 C9 1.541(6) . ?
C5 C9A 1.458(7) . ?
C6 C7 1.385(4) . ?
C7 C8 1.361(5) . ?
C7 C13 1.539(4) . ?
C9 C10 1.511(8) . ?
C9 C11 1.533(8) . ?
C9 C12 1.558(7) . ?
C13 C14 1.561(6) . ?
C13 C15 1.484(7) . ?
C13 C16 1.515(7) . ?
C17 C18 1.180(5) . ?
C18 C19 1.557(4) . ?
C18 C19A 1.390(5) . ?
C19 C24 1.3900 . ?
C19 C20 1.3900 . ?
C24 C23 1.3900 . ?
C23 C22 1.3900 . ?
C23 C29 1.574(7) . ?
C22 C21 1.3900 . ?
C21 C20 1.3900 . ?
C21 C25 1.613(6) . ?
C25 C26 1.528(9) . ?
C25 C27 1.544(9) . ?
C25 C28 1.579(8) . ?
C29 C30 1.553(11) . ?
C29 C31 1.534(9) . ?
C29 C32 1.546(9) . ?
C33 C34 1.247(3) . ?
C34 C35 1.419(3) . ?
C35 C36 1.419(3) . ?
C35 C40 1.382(4) . ?
C36 C37 1.373(3) . ?
C37 C38 1.405(4) . ?
C37 C41 1.584(5) . ?
C37 C41A 1.493(7) . ?
C38 C39 1.383(4) . ?
C39 C40 1.398(3) . ?
C39 C45 1.563(5) . ?
C39 C45A 1.572(5) . ?
C41 C42 1.524(6) . ?
C41 C43 1.537(7) . ?
C41 C44 1.527(6) . ?
C45 C46 1.525(6) . ?
C45 C47 1.515(6) . ?
C45 C48 1.535(8) . ?
C49 C50 1.217(3) . ?
C50 C51 1.442(3) . ?
C51 C52 1.397(4) . ?
C51 C56 1.400(3) . ?
C52 C53 1.391(4) . ?
C53 C54 1.383(3) . ?
C53 C57 1.544(4) . ?
C54 C55 1.401(4) . ?
C55 C56 1.387(3) . ?
C55 C61 1.538(3) . ?
C57 C58 1.557(5) . ?
C57 C59 1.529(6) . ?
C57 C60 1.484(6) . ?
C61 C62 1.526(4) . ?
C61 C63 1.514(5) . ?
C61 C64 1.527(4) . ?
C65 C66 1.251(3) . ?
C66 C1AA 1.418(3) . ?
C68 C69 1.398(3) . ?
C68 C1AA 1.406(4) . ?
C69 C70 1.382(4) . ?
C69 C73 1.536(4) . ?
C70 C71 1.398(4) . ?
C71 C72 1.398(3) . ?
C71 C77 1.535(4) . ?
C72 C1AA 1.401(3) . ?
C73 C74 1.513(4) . ?
C73 C75 1.531(3) . ?
C73 C76 1.543(4) . ?
C77 C78 1.522(4) . ?
C77 C79 1.529(3) . ?
C77 C80 1.521(3) . ?
C81 C82 1.208(3) . ?
C82 C83 1.449(3) . ?
C83 C84 1.388(3) . ?
C83 C88 1.410(4) . ?
C84 C85 1.376(3) . ?
C85 C86 1.382(4) . ?
C85 C89 1.560(4) . ?
C86 C87 1.384(4) . ?
C87 C88 1.419(3) . ?
C87 C93 1.527(5) . ?
C89 C90 1.545(5) . ?
C89 C91 1.504(5) . ?
C89 C92 1.487(6) . ?
C93 C94 1.510(5) . ?
C93 C95 1.576(5) . ?
C93 C96 1.503(4) . ?
C97 C98 1.221(4) . ?
C98 C99 1.433(4) . ?
C99 C100 1.410(3) . ?
C99 C104 1.400(3) . ?
C100 C101 1.374(4) . ?
C101 C102 1.399(4) . ?
C101 C105 1.549(4) . ?
C102 C103 1.378(3) . ?
C103 C104 1.385(4) . ?
C103 C109 1.543(3) . ?
C105 C106 1.492(5) . ?
C105 C107 1.556(4) . ?
C105 C108 1.536(5) . ?
C109 C110 1.515(4) . ?
C109 C111 1.542(4) . ?
C109 C112 1.525(5) . ?
C113 C114 1.235(4) . ?
C114 C115 1.442(4) . ?
C115 C116 1.401(3) . ?
C115 C120 1.383(4) . ?
C116 C117 1.389(4) . ?
C117 C118 1.403(4) . ?
C117 C121 1.537(4) . ?
C118 C119 1.385(3) . ?
C119 C120 1.396(4) . ?
C119 C125 1.544(4) . ?
C121 C122 1.501(5) . ?
C121 C123 1.520(5) . ?
C121 C124 1.457(5) . ?
C125 C126 1.513(4) . ?
C125 C127 1.528(5) . ?
C125 C128 1.510(4) . ?
C129 C130 1.193(4) . ?
C130 C131 1.443(3) . ?
C130 C281 1.465(4) . ?
C131 C136 1.3900 . ?
C131 C132 1.3900 . ?
C136 C135 1.3900 . ?
C135 C134 1.3900 . ?
C135 C141 1.514(5) . ?
C134 C133 1.3900 . ?
C133 C132 1.3900 . ?
C133 C137 1.524(7) . ?
C137 C138 1.545(7) . ?
C137 C139 1.542(8) . ?
C137 C140 1.534(8) . ?
C141 C142 1.567(7) . ?
C141 C143 1.512(7) . ?
C141 C144 1.518(6) . ?
C145 C146 1.214(4) . ?
C146 C147 1.446(3) . ?
C147 C148 1.405(3) . ?
C147 C152 1.394(3) . ?
C148 C149 1.364(3) . ?
C149 C150 1.412(3) . ?
C149 C153 1.543(3) . ?
C150 C151 1.383(4) . ?
C151 C152 1.394(4) . ?
C151 C157 1.519(4) . ?
C151 C295 1.591(6) . ?
C153 C154 1.527(4) . ?
C153 C155 1.539(3) . ?
C153 C156 1.547(4) . ?
C157 C158 1.530(6) . ?
C157 C159 1.519(6) . ?
C157 C160 1.516(7) . ?
C161 C162 1.210(4) . ?
C162 C163 1.446(4) . ?
C163 C164 1.389(4) . ?
C163 C168 1.394(4) . ?
C164 C165 1.418(5) . ?
C165 C166 1.376(5) . ?
C165 C169 1.510(6) . ?
C165 C299 1.586(9) . ?
C166 C167 1.399(5) . ?
C167 C168 1.383(4) . ?
C167 C173 1.536(5) . ?
C169 C170 1.553(7) . ?
C169 C171 1.538(8) . ?
C169 C172 1.503(7) . ?
C173 C174 1.560(6) . ?
C173 C175 1.529(5) . ?
C173 C176 1.507(5) . ?
C177 C178 1.245(3) . ?
C178 C179 1.421(3) . ?
C179 C180 1.398(4) . ?
C179 C184 1.405(4) . ?
C180 C181 1.387(4) . ?
C181 C182 1.388(4) . ?
C181 C185 1.546(4) . ?
C182 C183 1.421(4) . ?
C183 C184 1.381(3) . ?
C183 C189 1.532(4) . ?
C185 C186 1.512(4) . ?
C185 C187 1.539(5) . ?
C185 C188 1.543(4) . ?
C189 C190 1.528(3) . ?
C189 C191 1.544(4) . ?
C189 C192 1.534(3) . ?
C193 C194 1.230(3) . ?
C194 C195 1.430(3) . ?
C195 C196 1.394(3) . ?
C195 C200 1.406(4) . ?
C196 C197 1.396(3) . ?
C197 C198 1.384(4) . ?
C197 C201 1.550(4) . ?
C198 C199 1.418(4) . ?
C199 C200 1.384(3) . ?
C199 C205 1.540(4) . ?
C201 C202 1.497(6) . ?
C201 C203 1.603(5) . ?
C201 C204 1.482(4) . ?
C205 C206 1.526(4) . ?
C205 C207 1.522(5) . ?
C205 C208 1.517(4) . ?
C209 C210 1.230(4) . ?
C210 C211 1.447(4) . ?
C211 C212 1.383(4) . ?
C211 C216 1.397(3) . ?
C212 C213 1.374(4) . ?
C213 C214 1.411(4) . ?
C213 C217 1.545(7) . ?
C213 C303 1.553(6) . ?
C214 C215 1.387(4) . ?
C215 C216 1.404(4) . ?
C215 C221 1.505(4) . ?
C217 C218 1.535(8) . ?
C217 C219 1.522(8) . ?
C217 C220 1.542(8) . ?
C221 C222 1.549(5) . ?
C221 C223 1.520(5) . ?
C221 C224 1.514(6) . ?
C225 C226 1.238(3) . ?
C226 C227 1.417(3) . ?
C227 C228 1.397(3) . ?
C227 C232 1.407(4) . ?
C228 C229 1.401(3) . ?
C229 C230 1.389(4) . ?
C229 C233 1.546(3) . ?
C230 C231 1.385(3) . ?
C231 C232 1.395(3) . ?
C231 C237 1.546(4) . ?
C233 C234 1.498(4) . ?
C233 C235 1.519(5) . ?
C233 C236 1.519(5) . ?
C237 C238 1.509(5) . ?
C237 C239 1.526(4) . ?
C237 C240 1.538(3) . ?
C241 C242 1.229(3) . ?
C242 C243 1.442(3) . ?
C243 C244 1.401(4) . ?
C243 C248 1.381(4) . ?
C244 C245 1.386(3) . ?
C245 C246 1.403(4) . ?
C245 C249 1.537(5) . ?
C246 C247 1.367(5) . ?
C247 C248 1.418(4) . ?
C247 C253 1.539(4) . ?
C249 C250 1.526(4) . ?
C249 C251 1.543(5) . ?
C249 C252 1.535(4) . ?
C253 C254 1.460(6) . ?
C253 C255 1.570(6) . ?
C253 C256 1.493(6) . ?
C282 C281 1.3900 . ?
C282 C283 1.3900 . ?
C281 C286 1.3900 . ?
C286 C285 1.3900 . ?
C285 C284 1.3900 . ?
C285 C291 1.597(8) . ?
C284 C283 1.3900 . ?
C283 C287 1.561(8) . ?
C287 C288 1.539(8) . ?
C287 C289 1.547(8) . ?
C287 C290 1.547(9) . ?
C291 C292 1.550(11) . ?
C291 C293 1.532(11) . ?
C291 C294 1.540(10) . ?
C295 C296 1.527(8) . ?
C295 C297 1.529(10) . ?
C295 C298 1.523(9) . ?
C299 C300 1.527(9) . ?
C299 C301 1.538(10) . ?
C299 C302 1.538(11) . ?
C303 C304 1.549(6) . ?
C303 C305 1.520(7) . ?
C303 C306 1.530(6) . ?
C9A C10A 1.530(9) . ?
C9A C11A 1.530(10) . ?
C9A C12A 1.549(9) . ?
C19A C24A 1.3900 . ?
C19A C20A 1.3900 . ?
C24A C23A 1.3900 . ?
C23A C22A 1.3900 . ?
C23A C29A 1.484(8) . ?
C22A C21A 1.3900 . ?
C21A C20A 1.3900 . ?
C21A C25A 1.560(9) . ?
C25A C26A 1.537(9) . ?
C25A C27A 1.539(10) . ?
C25A C28A 1.524(8) . ?
C29A C30A 1.546(9) . ?
C29A C31A 1.546(9) . ?
C29A C32A 1.530(10) . ?
C41A C42A 1.533(10) . ?
C41A C43A 1.541(12) . ?
C41A C44A 1.529(11) . ?
C45A C46A 1.528(7) . ?
C45A C47A 1.522(7) . ?
C45A C48A 1.524(6) . ?
Cl9 C277 1.709(4) . ?
Cl10 C277 1.777(4) . ?
Cl11 C278 1.761(7) . ?
Cl12 C278 1.716(10) . ?
Cl7 C276 1.774(8) . ?
Cl8 C276 1.771(9) . ?
Cl5 C275 1.766(5) . ?
Cl6 C275 1.739(4) . ?
Cl3 C274 1.762(7) . ?
Cl4 C274 1.814(8) . ?
Cl1 C273 1.748(6) . ?
Cl2 C273 1.770(6) . ?
Cl13 C279 1.786(10) . ?
Cl14 C279 1.764(11) . ?
Cl15 C280 1.815(5) . ?
Cl16 C280 1.915(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cu2 Ag1 Cu1 161.491(14) . . ?
Cu7 Ag1 Cu1 98.009(14) . . ?
Cu7 Ag1 Cu2 81.720(13) . . ?
C17 Ag1 Cu1 42.11(8) . . ?
C17 Ag1 Cu2 137.87(8) . . ?
C17 Ag1 Cu7 139.52(8) . . ?
C17 Ag1 C33 117.93(9) . . ?
C17 Ag1 C209 131.84(9) . . ?
C33 Ag1 Cu1 119.61(6) . . ?
C33 Ag1 Cu2 41.89(6) . . ?
C33 Ag1 Cu7 84.40(6) . . ?
C33 Ag1 C209 110.17(8) . . ?
C209 Ag1 Cu1 110.30(6) . . ?
C209 Ag1 Cu2 81.87(6) . . ?
C209 Ag1 Cu7 41.64(6) . . ?
Cu2 Ag2 Cu3 100.115(12) . . ?
Cu2 Ag2 Cu6 154.330(12) . . ?
Cu3 Ag2 Cu6 77.821(12) . . ?
C49 Ag2 Cu2 40.22(6) . . ?
C49 Ag2 Cu3 137.72(6) . . ?
C49 Ag2 Cu6 143.64(6) . . ?
C49 Ag2 C65 104.24(8) . . ?
C49 Ag2 C209 99.64(8) . . ?
C65 Ag2 Cu2 77.83(4) . . ?
C65 Ag2 Cu3 39.00(5) . . ?
C65 Ag2 Cu6 111.70(5) . . ?
C177 Ag2 Cu2 166.14(6) . . ?
C177 Ag2 Cu3 85.24(7) . . ?
C177 Ag2 Cu6 39.23(6) . . ?
C177 Ag2 C49 130.02(8) . . ?
C177 Ag2 C65 99.34(8) . . ?
C177 Ag2 C209 116.00(7) . . ?
C209 Ag2 Cu2 77.72(5) . . ?
C209 Ag2 Cu3 78.84(6) . . ?
C209 Ag2 Cu6 76.79(5) . . ?
C209 Ag2 C65 104.81(8) . . ?
Cu3 Ag3 Cu4 102.758(12) . . ?
Cu3 Ag3 Cu8 75.037(11) . . ?
Cu4 Ag3 Cu8 156.536(11) . . ?
C81 Ag3 Cu3 39.96(5) . . ?
C81 Ag3 Cu4 78.35(5) . . ?
C81 Ag3 Cu8 109.98(5) . . ?
C81 Ag3 C114 124.90(7) . . ?
C113 Ag3 Cu3 140.09(6) . . ?
C113 Ag3 Cu4 39.43(7) . . ?
C113 Ag3 Cu8 144.18(6) . . ?
C113 Ag3 C81 105.32(7) . . ?
C113 Ag3 C114 27.16(9) . . ?
C113 Ag3 C193 101.71(8) . . ?
C113 Ag3 C225 130.43(9) . . ?
C114 Ag3 Cu3 164.67(5) . . ?
C114 Ag3 Cu4 66.38(6) . . ?
C114 Ag3 Cu8 119.35(5) . . ?
C193 Ag3 Cu3 76.30(5) . . ?
C193 Ag3 Cu4 80.27(6) . . ?
C193 Ag3 Cu8 76.51(6) . . ?
C193 Ag3 C81 102.75(7) . . ?
C193 Ag3 C114 110.86(7) . . ?
C225 Ag3 Cu3 83.16(6) . . ?
C225 Ag3 Cu4 165.43(5) . . ?
C225 Ag3 Cu8 37.73(5) . . ?
C225 Ag3 C81 98.99(7) . . ?
C225 Ag3 C114 104.98(8) . . ?
C225 Ag3 C193 114.21(8) . . ?
Cu4 Ag4 Cu1 164.560(14) . . ?
Cu7 Ag4 Cu1 96.812(14) . . ?
Cu7 Ag4 Cu4 84.977(12) . . ?
C1 Ag4 Cu1 40.44(9) . . ?
C1 Ag4 Cu4 139.24(8) . . ?
C1 Ag4 Cu7 135.72(8) . . ?
C1 Ag4 C2 27.70(11) . . ?
C1 Ag4 C97 120.43(9) . . ?
C1 Ag4 C193 125.51(9) . . ?
C2 Ag4 Cu1 68.14(7) . . ?
C2 Ag4 Cu4 113.00(7) . . ?
C2 Ag4 Cu7 160.28(6) . . ?
C97 Ag4 Cu1 122.49(7) . . ?
C97 Ag4 Cu4 42.09(7) . . ?
C97 Ag4 Cu7 89.23(6) . . ?
C97 Ag4 C2 109.43(8) . . ?
C97 Ag4 C193 114.05(7) . . ?
C193 Ag4 Cu1 107.50(5) . . ?
C193 Ag4 Cu4 84.09(5) . . ?
C193 Ag4 Cu7 41.93(5) . . ?
C193 Ag4 C2 128.49(8) . . ?
Cu3 Ag5 Cu5 95.183(13) . . ?
Cu3 Ag5 Cu6 83.089(12) . . ?
Cu6 Ag5 Cu5 164.983(13) . . ?
C81 Ag5 Cu3 42.53(5) . . ?
C81 Ag5 Cu5 108.86(6) . . ?
C81 Ag5 Cu6 79.91(6) . . ?
C81 Ag5 C130 134.56(8) . . ?
C129 Ag5 Cu3 133.35(7) . . ?
C129 Ag5 Cu5 38.83(6) . . ?
C129 Ag5 Cu6 143.06(7) . . ?
C129 Ag5 C81 128.87(10) . . ?
C129 Ag5 C130 27.73(9) . . ?
C129 Ag5 C177 121.20(9) . . ?
C130 Ag5 Cu3 160.36(7) . . ?
C130 Ag5 Cu5 66.51(7) . . ?
C130 Ag5 Cu6 116.45(7) . . ?
C177 Ag5 Cu3 88.07(5) . . ?
C177 Ag5 Cu5 124.86(6) . . ?
C177 Ag5 Cu6 40.34(6) . . ?
C177 Ag5 C81 109.92(8) . . ?
C177 Ag5 C130 107.94(8) . . ?
Cu6 Ag6 Cu4 156.788(13) . . ?
Cu7 Ag6 Cu4 79.874(11) . . ?
Cu7 Ag6 Cu6 99.571(11) . . ?
C81 Ag6 Cu4 79.66(5) . . ?
C81 Ag6 Cu6 77.60(5) . . ?
C81 Ag6 Cu7 77.48(4) . . ?
C81 Ag6 C162 110.56(7) . . ?
C81 Ag6 C209 103.10(7) . . ?
C97 Ag6 Cu4 40.35(7) . . ?
C97 Ag6 Cu6 162.20(7) . . ?
C97 Ag6 Cu7 87.90(5) . . ?
C97 Ag6 C81 119.98(9) . . ?
C97 Ag6 C162 101.57(8) . . ?
C97 Ag6 C209 100.71(7) . . ?
C161 Ag6 Cu4 142.40(7) . . ?
C161 Ag6 Cu6 40.21(6) . . ?
C161 Ag6 Cu7 137.25(6) . . ?
C161 Ag6 C81 100.13(8) . . ?
C161 Ag6 C97 126.66(8) . . ?
C161 Ag6 C162 26.94(8) . . ?
C161 Ag6 C209 102.76(8) . . ?
C162 Ag6 Cu4 117.78(6) . . ?
C162 Ag6 Cu6 66.99(6) . . ?
C162 Ag6 Cu7 161.19(6) . . ?
C209 Ag6 Cu4 113.99(5) . . ?
C209 Ag6 Cu6 76.04(5) . . ?
C209 Ag6 Cu7 39.74(5) . . ?
C209 Ag6 C162 121.72(8) . . ?
Cu2 Ag7 Cu3 93.172(11) . . ?
Cu2 Ag7 Cu8 159.117(10) . . ?
Cu7 Ag7 Cu2 77.292(12) . . ?
Cu7 Ag7 Cu3 50.685(10) . . ?
Cu7 Ag7 Cu8 102.422(12) . . ?
Cu8 Ag7 Cu3 71.848(10) . . ?
C33 Ag7 Cu2 39.84(6) . . ?
C33 Ag7 Cu3 124.08(6) . . ?
C33 Ag7 Cu7 83.79(6) . . ?
C33 Ag7 Cu8 160.73(6) . . ?
C33 Ag7 C65 119.36(8) . . ?
C33 Ag7 C193 97.50(8) . . ?
C33 Ag7 C241 128.36(8) . . ?
C33 Ag7 C242 103.43(8) . . ?
C65 Ag7 Cu2 79.56(6) . . ?
C65 Ag7 Cu3 35.78(5) . . ?
C65 Ag7 Cu7 79.74(5) . . ?
C65 Ag7 Cu8 79.86(6) . . ?
C65 Ag7 C193 105.12(7) . . ?
C65 Ag7 C242 107.32(7) . . ?
C193 Ag7 Cu2 111.72(6) . . ?
C193 Ag7 Cu3 69.34(4) . . ?
C193 Ag7 Cu7 39.89(5) . . ?
C193 Ag7 Cu8 77.22(6) . . ?
C193 Ag7 C242 125.10(8) . . ?
C241 Ag7 Cu2 142.47(6) . . ?
C241 Ag7 Cu3 107.36(5) . . ?
C241 Ag7 Cu7 139.81(6) . . ?
C241 Ag7 Cu8 39.25(5) . . ?
C241 Ag7 C65 98.87(8) . . ?
C241 Ag7 C193 104.91(8) . . ?
C241 Ag7 C242 27.50(8) . . ?
C242 Ag7 Cu2 116.82(6) . . ?
C242 Ag7 Cu3 129.18(5) . . ?
C242 Ag7 Cu7 164.82(6) . . ?
C242 Ag7 Cu8 66.59(6) . . ?
Cu3 Ag8 Cu5 99.931(13) . . ?
Cu8 Ag8 Cu3 83.197(12) . . ?
Cu8 Ag8 Cu5 163.241(14) . . ?
C65 Ag8 Cu3 41.68(5) . . ?
C65 Ag8 Cu5 108.44(5) . . ?
C65 Ag8 Cu8 84.93(5) . . ?
C145 Ag8 Cu3 141.55(7) . . ?
C145 Ag8 Cu5 42.81(6) . . ?
C145 Ag8 Cu8 135.11(7) . . ?
C145 Ag8 C65 128.05(9) . . ?
C145 Ag8 C225 120.33(10) . . ?
C225 Ag8 Cu3 84.09(6) . . ?
C225 Ag8 Cu5 121.53(5) . . ?
C225 Ag8 Cu8 42.06(5) . . ?
C225 Ag8 C65 111.62(8) . . ?
Ag1 Cu1 Ag4 80.500(13) . . ?
C1 Cu1 Ag1 130.38(9) . . ?
C1 Cu1 Ag4 51.08(8) . . ?
C1 Cu1 C17 175.57(12) . . ?
C17 Cu1 Ag1 53.85(9) . . ?
C17 Cu1 Ag4 133.35(8) . . ?
Ag1 Cu2 Ag2 92.044(11) . . ?
Ag1 Cu2 Ag7 84.297(12) . . ?
Ag2 Cu2 Ag7 85.729(12) . . ?
C33 Cu2 Ag1 59.67(8) . . ?
C33 Cu2 Ag2 129.66(8) . . ?
C33 Cu2 Ag7 53.36(8) . . ?
C49 Cu2 Ag1 114.21(8) . . ?
C49 Cu2 Ag2 54.63(7) . . ?
C49 Cu2 Ag7 135.01(8) . . ?
C49 Cu2 C33 170.81(12) . . ?
Ag2 Cu3 Ag7 80.605(10) . . ?
Ag3 Cu3 Ag2 146.738(14) . . ?
Ag3 Cu3 Ag7 83.808(10) . . ?
Ag5 Cu3 Ag2 83.672(12) . . ?
Ag5 Cu3 Ag3 119.934(13) . . ?
Ag5 Cu3 Ag7 153.483(14) . . ?
Ag5 Cu3 Ag8 85.636(12) . . ?
Ag8 Cu3 Ag2 119.992(13) . . ?
Ag8 Cu3 Ag3 87.048(13) . . ?
Ag8 Cu3 Ag7 83.932(10) . . ?
Cu7 Cu3 Ag2 72.574(13) . . ?
Cu7 Cu3 Ag3 74.255(12) . . ?
Cu7 Cu3 Ag5 136.104(17) . . ?
Cu7 Cu3 Ag7 57.554(10) . . ?
Cu7 Cu3 Ag8 138.202(14) . . ?
C65 Cu3 Ag2 62.89(8) . . ?
C65 Cu3 Ag3 125.65(7) . . ?
C65 Cu3 Ag5 102.30(6) . . ?
C65 Cu3 Ag7 51.40(6) . . ?
C65 Cu3 Ag8 62.31(8) . . ?
C65 Cu3 Cu7 98.91(7) . . ?
C65 Cu3 C81 163.87(9) . . ?
C81 Cu3 Ag2 118.41(8) . . ?
C81 Cu3 Ag3 63.24(7) . . ?
C81 Cu3 Ag5 62.93(6) . . ?
C81 Cu3 Ag7 143.59(6) . . ?
C81 Cu3 Ag8 107.93(8) . . ?
C81 Cu3 Cu7 96.60(7) . . ?
Ag4 Cu4 Ag3 89.825(11) . . ?
Ag4 Cu4 Ag6 80.566(12) . . ?
Ag6 Cu4 Ag3 85.987(11) . . ?
C97 Cu4 Ag3 130.79(7) . . ?
C97 Cu4 Ag4 59.85(6) . . ?
C97 Cu4 Ag6 53.66(7) . . ?
C113 Cu4 Ag3 52.94(7) . . ?
C113 Cu4 Ag4 113.04(6) . . ?
C113 Cu4 Ag6 134.87(7) . . ?
C113 Cu4 C97 169.79(9) . . ?
Ag8 Cu5 Ag5 79.247(12) . . ?
C129 Cu5 Ag5 49.34(8) . . ?
C129 Cu5 Ag8 127.90(8) . . ?
C129 Cu5 C145 176.97(12) . . ?
C145 Cu5 Ag5 132.19(8) . . ?
C145 Cu5 Ag8 54.19(7) . . ?
Ag5 Cu6 Ag2 80.324(11) . . ?
Ag5 Cu6 Ag6 92.337(13) . . ?
Ag6 Cu6 Ag2 87.796(10) . . ?
C161 Cu6 Ag2 136.23(6) . . ?
C161 Cu6 Ag5 116.56(9) . . ?
C161 Cu6 Ag6 53.51(6) . . ?
C177 Cu6 Ag2 52.50(6) . . ?
C177 Cu6 Ag5 58.15(9) . . ?
C177 Cu6 Ag6 131.44(7) . . ?
C177 Cu6 C161 170.67(10) . . ?
Ag1 Cu7 Ag6 119.087(15) . . ?
Ag1 Cu7 Ag7 85.897(12) . . ?
Ag4 Cu7 Ag1 84.603(12) . . ?
Ag4 Cu7 Ag6 82.902(11) . . ?
Ag4 Cu7 Ag7 121.115(12) . . ?
Ag6 Cu7 Ag7 148.291(14) . . ?
Cu3 Cu7 Ag1 138.379(17) . . ?
Cu3 Cu7 Ag4 136.992(18) . . ?
Cu3 Cu7 Ag6 76.530(11) . . ?
Cu3 Cu7 Ag7 71.761(12) . . ?
C193 Cu7 Ag1 105.96(7) . . ?
C193 Cu7 Ag4 63.70(8) . . ?
C193 Cu7 Ag6 120.31(7) . . ?
C193 Cu7 Ag7 63.70(7) . . ?
C193 Cu7 Cu3 95.17(8) . . ?
C209 Cu7 Ag1 61.02(7) . . ?
C209 Cu7 Ag4 104.17(7) . . ?
C209 Cu7 Ag6 65.05(7) . . ?
C209 Cu7 Ag7 120.73(8) . . ?
C209 Cu7 Cu3 100.69(7) . . ?
C209 Cu7 C193 164.12(10) . . ?
Ag7 Cu8 Ag3 85.005(12) . . ?
Ag8 Cu8 Ag3 83.749(10) . . ?
Ag8 Cu8 Ag7 89.382(12) . . ?
C225 Cu8 Ag3 50.63(8) . . ?
C225 Cu8 Ag7 127.19(8) . . ?
C225 Cu8 Ag8 62.31(7) . . ?
C241 Cu8 Ag3 135.10(8) . . ?
C241 Cu8 Ag7 53.63(8) . . ?
C241 Cu8 Ag8 109.41(7) . . ?
C241 Cu8 C225 170.85(10) . . ?
Cu1 C1 Ag4 88.49(11) . . ?
C2 C1 Ag4 94.9(2) . . ?
C2 C1 Cu1 176.4(3) . . ?
C1 C2 Ag4 57.37(16) . . ?
C1 C2 C3 172.5(3) . . ?
C3 C2 Ag4 130.1(2) . . ?
C2 C3 C4 121.9(2) . . ?
C2 C3 C8 119.6(3) . . ?
C8 C3 C4 118.4(3) . . ?
C5 C4 C3 121.7(2) . . ?
C4 C5 C6 116.8(3) . . ?
C4 C5 C9 120.2(3) . . ?
C4 C5 C9A 122.8(3) . . ?
C6 C5 C9 123.0(3) . . ?
C6 C5 C9A 120.4(4) . . ?
C7 C6 C5 123.5(3) . . ?
C6 C7 C13 120.6(3) . . ?
C8 C7 C6 118.1(2) . . ?
C8 C7 C13 121.3(3) . . ?
C7 C8 C3 121.5(3) . . ?
C5 C9 C12 113.3(4) . . ?
C10 C9 C5 105.6(4) . . ?
C10 C9 C11 109.3(5) . . ?
C10 C9 C12 112.5(4) . . ?
C11 C9 C5 109.9(3) . . ?
C11 C9 C12 106.2(5) . . ?
C7 C13 C14 107.4(3) . . ?
C15 C13 C7 113.2(4) . . ?
C15 C13 C14 107.2(4) . . ?
C15 C13 C16 113.6(4) . . ?
C16 C13 C7 110.1(3) . . ?
C16 C13 C14 104.7(4) . . ?
Cu1 C17 Ag1 84.04(12) . . ?
C18 C17 Ag1 102.3(2) . . ?
C18 C17 Cu1 172.8(2) . . ?
C17 C18 C19 160.9(3) . . ?
C17 C18 C19A 173.0(3) . . ?
C24 C19 C18 113.18(18) . . ?
C24 C19 C20 120.0 . . ?
C20 C19 C18 126.81(18) . . ?
C19 C24 C23 120.0 . . ?
C24 C23 C29 118.9(3) . . ?
C22 C23 C24 120.0 . . ?
C22 C23 C29 121.1(3) . . ?
C23 C22 C21 120.0 . . ?
C22 C21 C25 118.3(3) . . ?
C20 C21 C22 120.0 . . ?
C20 C21 C25 121.4(3) . . ?
C21 C20 C19 120.0 . . ?
C26 C25 C21 109.0(4) . . ?
C26 C25 C27 107.6(6) . . ?
C26 C25 C28 109.9(5) . . ?
C27 C25 C21 103.8(4) . . ?
C27 C25 C28 114.0(5) . . ?
C28 C25 C21 112.3(5) . . ?
C30 C29 C23 105.1(6) . . ?
C31 C29 C23 110.6(5) . . ?
C31 C29 C30 101.9(6) . . ?
C31 C29 C32 101.3(6) . . ?
C32 C29 C23 115.0(5) . . ?
C32 C29 C30 121.9(7) . . ?
Ag7 C33 Ag1 105.91(9) . . ?
Cu2 C33 Ag1 78.45(9) . . ?
Cu2 C33 Ag7 86.80(8) . . ?
C34 C33 Ag1 103.22(18) . . ?
C34 C33 Ag7 105.6(2) . . ?
C34 C33 Cu2 166.2(2) . . ?
C33 C34 C35 174.9(3) . . ?
C34 C35 C36 118.6(2) . . ?
C40 C35 C34 121.4(2) . . ?
C40 C35 C36 120.0(2) . . ?
C37 C36 C35 120.4(3) . . ?
C36 C37 C38 118.0(3) . . ?
C36 C37 C41 120.9(3) . . ?
C36 C37 C41A 129.6(3) . . ?
C38 C37 C41 121.1(2) . . ?
C38 C37 C41A 111.1(3) . . ?
C39 C38 C37 123.0(2) . . ?
C38 C39 C40 117.9(3) . . ?
C38 C39 C45 117.7(2) . . ?
C38 C39 C45A 124.0(2) . . ?
C40 C39 C45 124.1(2) . . ?
C40 C39 C45A 117.0(2) . . ?
C35 C40 C39 120.6(2) . . ?
C42 C41 C37 109.8(3) . . ?
C42 C41 C43 108.3(4) . . ?
C42 C41 C44 109.1(4) . . ?
C43 C41 C37 106.7(3) . . ?
C44 C41 C37 114.7(3) . . ?
C44 C41 C43 108.0(4) . . ?
C46 C45 C39 105.9(4) . . ?
C46 C45 C48 108.3(4) . . ?
C47 C45 C39 109.1(3) . . ?
C47 C45 C46 111.2(5) . . ?
C47 C45 C48 112.6(5) . . ?
C48 C45 C39 109.4(4) . . ?
Cu2 C49 Ag2 85.15(10) . . ?
C50 C49 Ag2 95.66(15) . . ?
C50 C49 Cu2 172.2(2) . . ?
C49 C50 C51 176.0(3) . . ?
C52 C51 C50 121.18(19) . . ?
C52 C51 C56 119.8(2) . . ?
C56 C51 C50 119.0(2) . . ?
C53 C52 C51 120.9(2) . . ?
C52 C53 C57 119.4(2) . . ?
C54 C53 C52 118.2(3) . . ?
C54 C53 C57 122.3(3) . . ?
C53 C54 C55 122.2(2) . . ?
C54 C55 C61 120.2(2) . . ?
C56 C55 C54 118.8(2) . . ?
C56 C55 C61 120.9(2) . . ?
C55 C56 C51 120.1(2) . . ?
C53 C57 C58 107.5(3) . . ?
C59 C57 C53 111.4(3) . . ?
C59 C57 C58 104.6(4) . . ?
C60 C57 C53 110.8(3) . . ?
C60 C57 C58 109.4(3) . . ?
C60 C57 C59 112.8(4) . . ?
C62 C61 C55 112.2(2) . . ?
C62 C61 C64 109.1(3) . . ?
C63 C61 C55 109.6(2) . . ?
C63 C61 C62 106.6(3) . . ?
C63 C61 C64 109.9(3) . . ?
C64 C61 C55 109.4(2) . . ?
Ag7 C65 Ag2 100.38(9) . . ?
Ag8 C65 Ag2 143.85(8) . . ?
Ag8 C65 Ag7 105.66(9) . . ?
Cu3 C65 Ag2 78.11(8) . . ?
Cu3 C65 Ag7 92.82(9) . . ?
Cu3 C65 Ag8 76.02(8) . . ?
C66 C65 Ag2 101.15(18) . . ?
C66 C65 Ag7 99.44(13) . . ?
C66 C65 Ag8 98.84(18) . . ?
C66 C65 Cu3 167.63(17) . . ?
C65 C66 C1AA 179.4(2) . . ?
C69 C68 C1AA 120.0(2) . . ?
C68 C69 C73 122.4(2) . . ?
C70 C69 C68 118.1(2) . . ?
C70 C69 C73 119.4(2) . . ?
C69 C70 C71 123.5(2) . . ?
C70 C71 C72 117.9(2) . . ?
C70 C71 C77 119.5(2) . . ?
C72 C71 C77 122.4(2) . . ?
C71 C72 C1AA 120.0(2) . . ?
C69 C73 C76 109.1(2) . . ?
C74 C73 C69 111.8(2) . . ?
C74 C73 C75 109.7(3) . . ?
C74 C73 C76 108.22(19) . . ?
C75 C73 C69 110.11(19) . . ?
C75 C73 C76 107.8(2) . . ?
C78 C77 C71 112.2(2) . . ?
C78 C77 C79 108.00(19) . . ?
C79 C77 C71 110.7(2) . . ?
C80 C77 C71 107.14(18) . . ?
C80 C77 C78 109.0(2) . . ?
C80 C77 C79 109.8(2) . . ?
Ag5 C81 Ag3 140.35(10) . . ?
Ag5 C81 Ag6 110.14(9) . . ?
Ag6 C81 Ag3 99.97(7) . . ?
Cu3 C81 Ag3 76.80(7) . . ?
Cu3 C81 Ag5 74.55(8) . . ?
Cu3 C81 Ag6 96.92(10) . . ?
C82 C81 Ag3 104.81(18) . . ?
C82 C81 Ag5 99.60(15) . . ?
C82 C81 Ag6 91.68(18) . . ?
C82 C81 Cu3 170.9(2) . . ?
C81 C82 C83 178.7(3) . . ?
C84 C83 C82 120.8(2) . . ?
C84 C83 C88 120.6(2) . . ?
C88 C83 C82 118.6(2) . . ?
C85 C84 C83 120.7(3) . . ?
C84 C85 C86 118.3(2) . . ?
C84 C85 C89 122.1(3) . . ?
C86 C85 C89 119.6(2) . . ?
C85 C86 C87 124.0(2) . . ?
C86 C87 C88 117.2(3) . . ?
C86 C87 C93 121.2(2) . . ?
C88 C87 C93 121.6(2) . . ?
C83 C88 C87 119.2(2) . . ?
C90 C89 C85 107.8(3) . . ?
C91 C89 C85 108.2(3) . . ?
C91 C89 C90 110.7(3) . . ?
C92 C89 C85 112.0(2) . . ?
C92 C89 C90 108.6(3) . . ?
C92 C89 C91 109.5(3) . . ?
C87 C93 C95 106.5(3) . . ?
C94 C93 C87 110.3(3) . . ?
C94 C93 C95 106.7(3) . . ?
C96 C93 C87 112.8(2) . . ?
C96 C93 C94 111.8(3) . . ?
C96 C93 C95 108.4(3) . . ?
Ag6 C97 Ag4 99.96(9) . . ?
Cu4 C97 Ag4 78.06(8) . . ?
Cu4 C97 Ag6 85.99(9) . . ?
C98 C97 Ag4 102.03(15) . . ?
C98 C97 Ag6 105.16(18) . . ?
C98 C97 Cu4 168.6(2) . . ?
C97 C98 C99 176.0(3) . . ?
C100 C99 C98 119.9(2) . . ?
C104 C99 C98 120.2(2) . . ?
C104 C99 C100 119.8(2) . . ?
C101 C100 C99 120.5(2) . . ?
C100 C101 C102 117.8(2) . . ?
C100 C101 C105 122.7(2) . . ?
C102 C101 C105 119.5(3) . . ?
C103 C102 C101 123.4(3) . . ?
C102 C103 C104 118.2(2) . . ?
C102 C103 C109 122.9(2) . . ?
C104 C103 C109 118.9(2) . . ?
C103 C104 C99 120.3(2) . . ?
C101 C105 C107 109.7(2) . . ?
C106 C105 C101 110.5(3) . . ?
C106 C105 C107 108.3(3) . . ?
C106 C105 C108 111.1(3) . . ?
C108 C105 C101 112.1(3) . . ?
C108 C105 C107 105.0(3) . . ?
C110 C109 C103 110.7(2) . . ?
C110 C109 C111 108.7(2) . . ?
C110 C109 C112 109.5(3) . . ?
C111 C109 C103 108.5(2) . . ?
C112 C109 C103 112.3(2) . . ?
C112 C109 C111 107.0(2) . . ?
Cu4 C113 Ag3 87.63(10) . . ?
C114 C113 Ag3 93.35(17) . . ?
C114 C113 Cu4 171.47(19) . . ?
C113 C114 Ag3 59.49(15) . . ?
C113 C114 C115 173.1(2) . . ?
C115 C114 Ag3 126.81(16) . . ?
C116 C115 C114 120.5(2) . . ?
C120 C115 C114 119.1(2) . . ?
C120 C115 C116 120.3(2) . . ?
C117 C116 C115 120.5(2) . . ?
C116 C117 C118 117.4(2) . . ?
C116 C117 C121 120.3(2) . . ?
C118 C117 C121 122.3(2) . . ?
C119 C118 C117 123.3(2) . . ?
C118 C119 C120 117.7(2) . . ?
C118 C119 C125 120.9(2) . . ?
C120 C119 C125 121.4(2) . . ?
C115 C120 C119 120.8(2) . . ?
C122 C121 C117 111.8(3) . . ?
C122 C121 C123 106.1(3) . . ?
C123 C121 C117 111.6(3) . . ?
C124 C121 C117 110.1(2) . . ?
C124 C121 C122 110.3(3) . . ?
C124 C121 C123 106.8(4) . . ?
C126 C125 C119 107.7(2) . . ?
C126 C125 C127 108.1(3) . . ?
C127 C125 C119 110.7(2) . . ?
C128 C125 C119 112.9(2) . . ?
C128 C125 C126 109.1(3) . . ?
C128 C125 C127 108.2(2) . . ?
Cu5 C129 Ag5 91.83(9) . . ?
C130 C129 Ag5 90.1(2) . . ?
C130 C129 Cu5 175.6(3) . . ?
C129 C130 Ag5 62.22(16) . . ?
C129 C130 C131 166.4(3) . . ?
C129 C130 C281 175.6(3) . . ?
C131 C130 Ag5 131.3(2) . . ?
C281 C130 Ag5 122.0(2) . . ?
C136 C131 C130 123.84(19) . . ?
C136 C131 C132 120.0 . . ?
C132 C131 C130 115.94(19) . . ?
C131 C136 C135 120.0 . . ?
C136 C135 C134 120.0 . . ?
C136 C135 C141 120.9(3) . . ?
C134 C135 C141 119.1(3) . . ?
C133 C134 C135 120.0 . . ?
C134 C133 C132 120.0 . . ?
C134 C133 C137 121.3(3) . . ?
C132 C133 C137 118.6(3) . . ?
C133 C132 C131 120.0 . . ?
C133 C137 C138 113.6(6) . . ?
C133 C137 C139 110.5(5) . . ?
C133 C137 C140 110.2(5) . . ?
C139 C137 C138 109.9(6) . . ?
C140 C137 C138 106.8(6) . . ?
C140 C137 C139 105.4(6) . . ?
C135 C141 C142 109.6(4) . . ?
C135 C141 C144 108.2(4) . . ?
C143 C141 C135 112.3(3) . . ?
C143 C141 C142 106.4(4) . . ?
C143 C141 C144 113.1(4) . . ?
C144 C141 C142 107.1(4) . . ?
Cu5 C145 Ag8 83.00(10) . . ?
C146 C145 Ag8 98.32(17) . . ?
C146 C145 Cu5 177.7(2) . . ?
C145 C146 C147 175.3(3) . . ?
C148 C147 C146 120.8(2) . . ?
C152 C147 C146 119.3(2) . . ?
C152 C147 C148 119.9(2) . . ?
C149 C148 C147 121.0(2) . . ?
C148 C149 C150 118.3(2) . . ?
C148 C149 C153 123.4(2) . . ?
C150 C149 C153 118.2(2) . . ?
C151 C150 C149 122.1(2) . . ?
C150 C151 C152 118.6(2) . . ?
C150 C151 C157 120.1(3) . . ?
C150 C151 C295 123.2(3) . . ?
C152 C151 C157 121.3(3) . . ?
C152 C151 C295 118.1(3) . . ?
C151 C152 C147 120.1(2) . . ?
C149 C153 C156 111.5(2) . . ?
C154 C153 C149 109.0(2) . . ?
C154 C153 C155 109.2(2) . . ?
C154 C153 C156 107.4(2) . . ?
C155 C153 C149 111.51(19) . . ?
C155 C153 C156 108.1(2) . . ?
C151 C157 C158 114.5(3) . . ?
C151 C157 C159 109.0(3) . . ?
C159 C157 C158 105.6(4) . . ?
C160 C157 C151 108.3(4) . . ?
C160 C157 C158 108.4(4) . . ?
C160 C157 C159 111.1(4) . . ?
Cu6 C161 Ag6 86.28(8) . . ?
C162 C161 Ag6 92.42(16) . . ?
C162 C161 Cu6 172.4(3) . . ?
C161 C162 Ag6 60.63(13) . . ?
C161 C162 C163 173.9(2) . . ?
C163 C162 Ag6 124.91(16) . . ?
C164 C163 C162 119.9(3) . . ?
C164 C163 C168 119.5(2) . . ?
C168 C163 C162 120.5(2) . . ?
C163 C164 C165 119.9(3) . . ?
C164 C165 C169 126.2(4) . . ?
C164 C165 C299 110.3(4) . . ?
C166 C165 C164 118.1(3) . . ?
C166 C165 C169 115.7(3) . . ?
C166 C165 C299 130.9(4) . . ?
C165 C166 C167 123.3(3) . . ?
C166 C167 C173 120.2(3) . . ?
C168 C167 C166 117.0(3) . . ?
C168 C167 C173 122.7(3) . . ?
C167 C168 C163 122.1(3) . . ?
C165 C169 C170 108.2(5) . . ?
C165 C169 C171 108.4(4) . . ?
C171 C169 C170 104.4(4) . . ?
C172 C169 C165 113.7(3) . . ?
C172 C169 C170 108.2(5) . . ?
C172 C169 C171 113.4(6) . . ?
C167 C173 C174 111.5(3) . . ?
C175 C173 C167 110.0(3) . . ?
C175 C173 C174 104.7(4) . . ?
C176 C173 C167 111.7(4) . . ?
C176 C173 C174 109.5(3) . . ?
C176 C173 C175 109.2(3) . . ?
Ag2 C177 Ag5 102.71(9) . . ?
Cu6 C177 Ag2 88.27(8) . . ?
Cu6 C177 Ag5 81.51(9) . . ?
C178 C177 Ag2 105.05(15) . . ?
C178 C177 Ag5 96.43(19) . . ?
C178 C177 Cu6 166.63(17) . . ?
C177 C178 C179 173.6(2) . . ?
C180 C179 C178 119.8(2) . . ?
C180 C179 C184 119.6(2) . . ?
C184 C179 C178 120.5(2) . . ?
C181 C180 C179 120.9(3) . . ?
C180 C181 C182 118.4(2) . . ?
C180 C181 C185 119.6(3) . . ?
C182 C181 C185 122.0(2) . . ?
C181 C182 C183 122.4(2) . . ?
C182 C183 C189 122.1(2) . . ?
C184 C183 C182 117.6(2) . . ?
C184 C183 C189 120.2(2) . . ?
C183 C184 C179 121.1(2) . . ?
C186 C185 C181 112.1(3) . . ?
C186 C185 C187 108.8(3) . . ?
C186 C185 C188 108.5(2) . . ?
C187 C185 C181 109.8(2) . . ?
C187 C185 C188 108.7(3) . . ?
C188 C185 C181 108.9(2) . . ?
C183 C189 C191 108.4(2) . . ?
C183 C189 C192 110.39(19) . . ?
C190 C189 C183 112.6(2) . . ?
C190 C189 C191 107.54(19) . . ?
C190 C189 C192 109.1(2) . . ?
C192 C189 C191 108.7(2) . . ?
Ag3 C193 Ag7 103.97(9) . . ?
Ag4 C193 Ag3 105.68(7) . . ?
Ag4 C193 Ag7 140.11(11) . . ?
Cu7 C193 Ag3 96.29(8) . . ?
Cu7 C193 Ag4 74.38(9) . . ?
Cu7 C193 Ag7 76.41(8) . . ?
C194 C193 Ag3 94.18(17) . . ?
C194 C193 Ag4 100.87(17) . . ?
C194 C193 Ag7 102.96(16) . . ?
C194 C193 Cu7 169.3(2) . . ?
C193 C194 C195 177.6(2) . . ?
C196 C195 C194 119.1(2) . . ?
C196 C195 C200 120.5(2) . . ?
C200 C195 C194 120.3(2) . . ?
C195 C196 C197 121.0(3) . . ?
C196 C197 C201 119.4(3) . . ?
C198 C197 C196 117.2(2) . . ?
C198 C197 C201 123.4(2) . . ?
C197 C198 C199 123.5(2) . . ?
C198 C199 C205 119.9(2) . . ?
C200 C199 C198 117.7(2) . . ?
C200 C199 C205 122.4(2) . . ?
C199 C200 C195 120.0(2) . . ?
C197 C201 C203 108.1(2) . . ?
C202 C201 C197 111.9(3) . . ?
C202 C201 C203 102.4(3) . . ?
C204 C201 C197 114.4(3) . . ?
C204 C201 C202 112.4(3) . . ?
C204 C201 C203 106.7(3) . . ?
C206 C205 C199 109.6(3) . . ?
C207 C205 C199 109.5(2) . . ?
C207 C205 C206 108.8(3) . . ?
C208 C205 C199 112.1(2) . . ?
C208 C205 C206 108.9(3) . . ?
C208 C205 C207 107.9(3) . . ?
Ag1 C209 Ag2 108.19(9) . . ?
Ag1 C209 Ag6 139.93(10) . . ?
Ag2 C209 Ag6 102.43(8) . . ?
Cu7 C209 Ag1 77.34(7) . . ?
Cu7 C209 Ag2 94.20(10) . . ?
Cu7 C209 Ag6 75.21(9) . . ?
C210 C209 Ag1 95.71(16) . . ?
C210 C209 Ag2 94.39(17) . . ?
C210 C209 Ag6 107.22(16) . . ?
C210 C209 Cu7 170.3(2) . . ?
C209 C210 C211 176.6(3) . . ?
C212 C211 C210 120.4(2) . . ?
C212 C211 C216 121.0(3) . . ?
C216 C211 C210 118.5(2) . . ?
C213 C212 C211 120.8(2) . . ?
C212 C213 C214 117.7(3) . . ?
C212 C213 C217 117.3(3) . . ?
C212 C213 C303 124.4(3) . . ?
C214 C213 C217 125.0(3) . . ?
C214 C213 C303 117.6(3) . . ?
C215 C214 C213 123.1(3) . . ?
C214 C215 C216 117.5(2) . . ?
C214 C215 C221 120.8(3) . . ?
C216 C215 C221 121.7(3) . . ?
C211 C216 C215 119.8(3) . . ?
C218 C217 C213 105.6(5) . . ?
C218 C217 C220 103.8(5) . . ?
C219 C217 C213 109.9(4) . . ?
C219 C217 C218 111.9(6) . . ?
C219 C217 C220 108.2(5) . . ?
C220 C217 C213 117.3(5) . . ?
C215 C221 C222 111.1(3) . . ?
C215 C221 C223 110.8(3) . . ?
C215 C221 C224 113.1(3) . . ?
C223 C221 C222 110.9(3) . . ?
C224 C221 C222 104.0(3) . . ?
C224 C221 C223 106.6(3) . . ?
Ag3 C225 Ag8 105.67(10) . . ?
Cu8 C225 Ag3 91.64(10) . . ?
Cu8 C225 Ag8 75.64(8) . . ?
C226 C225 Ag3 94.69(16) . . ?
C226 C225 Ag8 104.88(15) . . ?
C226 C225 Cu8 173.2(2) . . ?
C225 C226 C227 174.4(3) . . ?
C228 C227 C226 120.2(2) . . ?
C228 C227 C232 119.5(2) . . ?
C232 C227 C226 120.22(19) . . ?
C227 C228 C229 120.3(2) . . ?
C228 C229 C233 118.8(2) . . ?
C230 C229 C228 118.3(2) . . ?
C230 C229 C233 122.8(2) . . ?
C231 C230 C229 123.2(2) . . ?
C230 C231 C232 117.8(3) . . ?
C230 C231 C237 121.4(2) . . ?
C232 C231 C237 120.7(2) . . ?
C231 C232 C227 120.9(2) . . ?
C234 C233 C229 112.3(3) . . ?
C234 C233 C235 106.5(3) . . ?
C234 C233 C236 109.3(2) . . ?
C235 C233 C229 109.2(2) . . ?
C235 C233 C236 109.3(3) . . ?
C236 C233 C229 110.2(2) . . ?
C238 C237 C231 108.0(2) . . ?
C238 C237 C239 110.3(2) . . ?
C238 C237 C240 109.1(3) . . ?
C239 C237 C231 110.8(2) . . ?
C239 C237 C240 106.9(2) . . ?
C240 C237 C231 111.8(2) . . ?
Cu8 C241 Ag7 87.12(8) . . ?
C242 C241 Ag7 89.89(19) . . ?
C242 C241 Cu8 171.9(2) . . ?
C241 C242 Ag7 62.61(15) . . ?
C241 C242 C243 175.9(3) . . ?
C243 C242 Ag7 120.69(19) . . ?
C244 C243 C242 119.1(2) . . ?
C248 C243 C242 120.4(3) . . ?
C248 C243 C244 120.4(2) . . ?
C245 C244 C243 121.0(2) . . ?
C244 C245 C246 117.2(3) . . ?
C244 C245 C249 121.5(2) . . ?
C246 C245 C249 121.4(2) . . ?
C247 C246 C245 123.6(2) . . ?
C246 C247 C248 118.1(3) . . ?
C246 C247 C253 122.8(3) . . ?
C248 C247 C253 119.1(3) . . ?
C243 C248 C247 119.8(3) . . ?
C245 C249 C251 111.3(3) . . ?
C250 C249 C245 112.6(2) . . ?
C250 C249 C251 106.5(3) . . ?
C250 C249 C252 108.3(3) . . ?
C252 C249 C245 108.7(3) . . ?
C252 C249 C251 109.4(3) . . ?
C247 C253 C255 109.3(3) . . ?
C254 C253 C247 109.0(3) . . ?
C254 C253 C255 107.0(4) . . ?
C254 C253 C256 117.1(4) . . ?
C256 C253 C247 109.7(3) . . ?
C256 C253 C255 104.5(3) . . ?
C281 C282 C283 120.0 . . ?
C282 C281 C130 123.6(2) . . ?
C286 C281 C130 116.4(2) . . ?
C286 C281 C282 120.0 . . ?
C281 C286 C285 120.0 . . ?
C286 C285 C291 123.4(4) . . ?
C284 C285 C286 120.0 . . ?
C284 C285 C291 115.5(4) . . ?
C285 C284 C283 120.0 . . ?
C282 C283 C287 120.9(2) . . ?
C284 C283 C282 120.0 . . ?
C284 C283 C287 119.1(2) . . ?
C288 C287 C283 112.6(5) . . ?
C288 C287 C289 105.0(6) . . ?
C288 C287 C290 111.9(5) . . ?
C289 C287 C283 111.4(5) . . ?
C289 C287 C290 107.4(6) . . ?
C290 C287 C283 108.4(5) . . ?
C292 C291 C285 115.2(6) . . ?
C293 C291 C285 107.8(5) . . ?
C293 C291 C292 108.1(9) . . ?
C293 C291 C294 112.2(8) . . ?
C294 C291 C285 103.8(7) . . ?
C294 C291 C292 109.8(8) . . ?
C296 C295 C151 107.4(4) . . ?
C296 C295 C297 113.7(5) . . ?
C297 C295 C151 106.5(4) . . ?
C298 C295 C151 113.8(5) . . ?
C298 C295 C296 108.0(6) . . ?
C298 C295 C297 107.7(6) . . ?
C300 C299 C165 106.8(7) . . ?
C300 C299 C301 109.8(7) . . ?
C300 C299 C302 109.2(7) . . ?
C301 C299 C165 118.1(7) . . ?
C302 C299 C165 108.8(5) . . ?
C302 C299 C301 104.0(8) . . ?
C304 C303 C213 108.6(4) . . ?
C305 C303 C213 114.5(4) . . ?
C305 C303 C304 110.0(4) . . ?
C305 C303 C306 108.9(4) . . ?
C306 C303 C213 105.9(3) . . ?
C306 C303 C304 108.8(4) . . ?
C5 C9A C10A 109.3(7) . . ?
C5 C9A C11A 116.6(5) . . ?
C5 C9A C12A 109.0(6) . . ?
C10A C9A C12A 104.5(7) . . ?
C11A C9A C10A 107.7(7) . . ?
C11A C9A C12A 109.0(8) . . ?
C18 C19A C24A 123.7(2) . . ?
C18 C19A C20A 115.6(2) . . ?
C24A C19A C20A 120.0 . . ?
C19A C24A C23A 120.0 . . ?
C24A C23A C29A 126.5(4) . . ?
C22A C23A C24A 120.0 . . ?
C22A C23A C29A 112.8(4) . . ?
C23A C22A C21A 120.0 . . ?
C22A C21A C20A 120.0 . . ?
C22A C21A C25A 119.8(4) . . ?
C20A C21A C25A 120.1(4) . . ?
C21A C20A C19A 120.0 . . ?
C26A C25A C21A 113.0(6) . . ?
C26A C25A C27A 104.3(7) . . ?
C27A C25A C21A 109.0(6) . . ?
C28A C25A C21A 108.8(6) . . ?
C28A C25A C26A 114.0(6) . . ?
C28A C25A C27A 107.3(7) . . ?
C23A C29A C30A 113.4(6) . . ?
C23A C29A C31A 110.0(7) . . ?
C23A C29A C32A 113.0(7) . . ?
C31A C29A C30A 110.4(8) . . ?
C32A C29A C30A 98.5(7) . . ?
C32A C29A C31A 111.1(7) . . ?
C37 C41A C42A 103.0(7) . . ?
C37 C41A C43A 116.4(7) . . ?
C37 C41A C44A 102.4(5) . . ?
C42A C41A C43A 100.1(10) . . ?
C44A C41A C42A 121.1(9) . . ?
C44A C41A C43A 114.1(9) . . ?
C46A C45A C39 114.8(4) . . ?
C47A C45A C39 108.3(4) . . ?
C47A C45A C46A 104.0(5) . . ?
C47A C45A C48A 108.0(5) . . ?
C48A C45A C39 114.1(4) . . ?
C48A C45A C46A 107.0(4) . . ?
C68 C1AA C66 119.7(2) . . ?
C72 C1AA C66 119.8(2) . . ?
C72 C1AA C68 120.5(2) . . ?
Cl9 C277 Cl10 116.1(2) . . ?
Cl12 C278 Cl11 113.4(5) . . ?
Cl8 C276 Cl7 113.6(5) . . ?
Cl6 C275 Cl5 114.1(3) . . ?
Cl3 C274 Cl4 107.7(4) . . ?
Cl1 C273 Cl2 108.7(4) . . ?
Cl14 C279 Cl13 101.9(6) . . ?
Cl15 C280 Cl16 102.0(2) . . ?

_olex2_exptl_crystal_mounting_method 'Nylon loop'
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_cxy465_0m
_database_code_depnum_ccdc_archive 'CCDC 1499654'
_audit_update_record             
;
2016-08-18 deposited with the CCDC.
2017-09-18 downloaded from the CCDC.
;
_audit_creation_date             2016-08-04
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2016.02.24 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        4
_chemical_formula_moiety         'C256 H336 Ag4 Au8 Cu4, 12(C6 H5 Cl)'
_chemical_formula_sum            'C328 H396 Ag4 Au8 Cl12 Cu4'
_chemical_formula_weight         7025.20
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   20.2863(14)
_cell_length_b                   25.3095(17)
_cell_length_c                   30.667(2)
_cell_angle_alpha                88.6930(10)
_cell_angle_beta                 83.3350(10)
_cell_angle_gamma                77.7460(10)
_cell_volume                     15282.7(18)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9960
_cell_measurement_temperature    100
_cell_measurement_theta_max      67.519
_cell_measurement_theta_min      2.904
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    10.659
_exptl_absorpt_correction_T_max  0.3195
_exptl_absorpt_correction_T_min  0.1237
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2012/1 (Bruker,2012) was used for absorption correction. wR2(int) was 0.1544 before and 0.1105 after correction. The Ratio of minimum to maximum transmission is 0.3872. The λ/2 correction factor is 0.0015.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.527
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             7008
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1122
_diffrn_reflns_av_unetI/netI     0.0781
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            281877
_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        66.876
_diffrn_reflns_theta_max         66.876
_diffrn_reflns_theta_min         1.450
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                43450
_reflns_number_total             53189
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         3.201
_refine_diff_density_min         -5.735
_refine_diff_density_rms         0.242
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3342
_refine_ls_number_reflns         53189
_refine_ls_number_restraints     577
_refine_ls_R_factor_all          0.1018
_refine_ls_R_factor_gt           0.0896
_refine_ls_restrained_S_all      1.020
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1538P)²+172.1107P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2441
_refine_ls_wR_factor_ref         0.2564
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C365-C367 = C365-C366 = C365-C368 = C189-C190 = C189-C191 = C189-C192
 1.53 with sigma of 0.02
 C348-C347 = C350-C347 = C349-C347 = C252-C249 = C251-C249 = C250-C249
 1.53 with sigma of 0.02
 C62-C61 = C355-C354 = C63-C61 = C356-C354 = C357-C354 = C64-C61
 1.53 with sigma of 0.02
 Cl0A-C323 = Cl0B-C329
 1.74 with sigma of 0.02
 C299-C300
 1.39 with sigma of 0.02
 C372-C369 = C30-C29 = C370-C369 = C31-C29 = C371-C369 = C32-C29
 1.53 with sigma of 0.02
 H34A-C348
 1.54 with sigma of 0.02
 Cl2A-C335 = Cl2B-C341
 1.74 with sigma of 0.02
 C353-C10A = C106-C105 = C351-C10A = C107-C105 = C108-C105 = C352-C10A
 1.53 with sigma of 0.02
 C366-C368 = C191-C190
 2.52 with sigma of 0.04
 C190-C192 = C368-C367
 2.52 with sigma of 0.04
 C192-C191 = C367-C366
 2.52 with sigma of 0.04
 Cl2B-C342
 2.7 with sigma of 0.04
 Cl2B-C346
 2.7 with sigma of 0.04
 C350-C349 = C251-C252
 2.52 with sigma of 0.04
 C348-C350 = C251-C250
 2.52 with sigma of 0.04
 C348-C349 = C252-C250
 2.52 with sigma of 0.04
 C355-C357 = C62-C64
 2.52 with sigma of 0.04
 C357-C356 = C64-C63
 2.52 with sigma of 0.04
 C356-C355 = C63-C62
 2.52 with sigma of 0.04
 Cl0A-C328 = Cl0B-C334
 2.7 with sigma of 0.04
 Cl0A-C324 = Cl0B-C330
 2.7 with sigma of 0.04
 C30-C32 = C372-C371
 2.52 with sigma of 0.04
 C372-C370 = C30-C31
 2.52 with sigma of 0.04
 C31-C32 = C370-C371
 2.52 with sigma of 0.04
 C359-C360 = C255-C254
 2.52 with sigma of 0.04
 C359-C361 = C254-C256
 2.52 with sigma of 0.04
 C361-C360 = C256-C255
 2.52 with sigma of 0.04
 Cl2A-C340
 2.7 with sigma of 0.04
 Cl2A-C336
 2.7 with sigma of 0.04
 C312-Cl1A
 2.7 with sigma of 0.04
 H52-H59A
 2.4 with sigma of 0.04
 H21F-H35O
 2 with sigma of 0.04
 H35M-H21F
 2 with sigma of 0.04
 H21D-H35O
 2 with sigma of 0.04
 H21D-H35M
 3.2 with sigma of 0.04
3. Restrained planarity
 Cl2B, C341, C342, C343, C344, C345, C346
 with sigma of 0.1
 Cl0A, C323, C328, C327, C326, C325, C324
 with sigma of 0.1
 Cl0B, C329, C334, C333, C332, C331, C330
 with sigma of 0.1
 Cl2A, C335, C340, C339, C338, C337, C336
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
Cl2B \\sim C341 \\sim C342 \\sim C343 \\sim C344 \\sim C345 \\sim C346: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C249 \\sim C250 \\sim C251 \\sim C252: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02
Cl6 \\sim C299 \\sim C300 \\sim C301 \\sim C302 \\sim C303 \\sim C304: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Cl7 \\sim C308 \\sim C309 \\sim C310 \\sim C305 \\sim C306 \\sim C307: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Cl3 \\sim C319 \\sim C320 \\sim C321 \\sim C322 \\sim C317 \\sim C318: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Cl9 \\sim C287 \\sim C288 \\sim C289 \\sim C290 \\sim C291 \\sim C292: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Cl10 \\sim C293 \\sim C294 \\sim C295 \\sim C296 \\sim C297 \\sim C298: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Cl8 \\sim C258 \\sim C257 \\sim C262 \\sim C261 \\sim C260 \\sim C259: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Cl4 \\sim C269 \\sim C270 \\sim C271 \\sim C272 \\sim C273 \\sim C274: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Cl5 \\sim C281 \\sim C282 \\sim C283 \\sim C284 \\sim C285 \\sim C286: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Cl0A \\sim C323 \\sim C328 \\sim C327 \\sim C326 \\sim C325 \\sim C324: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C365 \\sim C366 \\sim C367 \\sim C368: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02
Cl1A \\sim C313 \\sim C312 \\sim C311 \\sim C316 \\sim C315 \\sim C314: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C105 \\sim C106 \\sim C107 \\sim C108: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02
Uanis(Cu1A) = Uanis(Cu1)
Uanis(Cu4) = Uanis(Cu4A)
Uanis(Cu3) = Uanis(Cu3A)
Uanis(C108) = Uanis(C352)
Uanis(C107) = Uanis(C351)
Uanis(C250) = Uanis(C349)
Uanis(C80) = Uanis(C364)
Uanis(C79) = Uanis(C363)
Uanis(C78) = Uanis(C362)
Uanis(C30) = Uanis(C372)
Uanis(C32) = Uanis(C371)
Uanis(C189) = Uanis(C365)
Uanis(C191) = Uanis(C366)
Uanis(C190) = Uanis(C367)
Uanis(C192) = Uanis(C368)
Uanis(C335) = Uanis(C341)
Uanis(C340) = Uanis(C342)
Uanis(C339) = Uanis(C343)
Uanis(C338) = Uanis(C344)
Uanis(C337) = Uanis(C345)
Uanis(C336) = Uanis(C346)
Uanis(Cu2) = Uanis(Cu2A)
Uanis(C252) = Uanis(C348)
Uanis(C251) = Uanis(C350)
Uanis(C249) = Uanis(C347)
Uanis(C61) = Uanis(C354)
Uanis(C64) = Uanis(C355)
Uanis(C63) = Uanis(C356)
Uanis(C62) = Uanis(C357)
Uanis(Cl0A) = Uanis(Cl0B)
Uanis(C323) = Uanis(C329)
Uanis(C328) = Uanis(C334)
Uanis(C327) = Uanis(C333)
Uanis(C326) = Uanis(C332)
Uanis(C325) = Uanis(C331)
Uanis(C324) = Uanis(C330)
Uanis(C31) = Uanis(C370)
Uanis(C29) = Uanis(C369)
Uanis(C253) = Uanis(C358)
Uanis(C255) = Uanis(C359)
Uanis(C256) = Uanis(C360)
Uanis(C254) = Uanis(C361)
Uanis(Cl2A) = Uanis(Cl2B)
Uanis(C106) = Uanis(C353)
Uanis(C105) = Uanis(C10A)
5. Others
 Sof(Cu1)=1-FVAR(1)
 Sof(Cu1A)=FVAR(1)
 Sof(Cu4A)=1-FVAR(2)
 Sof(Cu4)=FVAR(2)
 Sof(Cu3A)=1-FVAR(3)
 Sof(Cu3)=FVAR(3)
 Sof(C351)=Sof(H35D)=Sof(H35E)=Sof(H35F)=Sof(C352)=Sof(H35G)=Sof(H35H)=
 Sof(H35I)=Sof(C353)=Sof(H35J)=Sof(H35K)=Sof(H35L)=Sof(C10A)=1-FVAR(4)
 Sof(C105)=Sof(C106)=Sof(H10D)=Sof(H10E)=Sof(H10F)=Sof(C107)=Sof(H10G)=
 Sof(H10H)=Sof(H10I)=Sof(C108)=Sof(H10J)=Sof(H10K)=Sof(H10L)=FVAR(4)
 Sof(C347)=Sof(C348)=Sof(H34A)=Sof(H34B)=Sof(H34C)=Sof(C349)=Sof(H34D)=
 Sof(H34E)=Sof(H34F)=Sof(C350)=Sof(H35A)=Sof(H35B)=Sof(H35C)=1-FVAR(5)
 Sof(C249)=Sof(C250)=Sof(H25A)=Sof(H25B)=Sof(H25C)=Sof(C251)=Sof(H25D)=
 Sof(H25E)=Sof(H25F)=Sof(C252)=Sof(H25G)=Sof(H25H)=Sof(H25I)=FVAR(5)
 Sof(C362)=Sof(H36G)=Sof(H36H)=Sof(H36I)=Sof(C363)=Sof(H36J)=Sof(H36K)=
 Sof(H36L)=Sof(C364)=Sof(H36M)=Sof(H36N)=Sof(H36O)=1-FVAR(6)
 Sof(C78)=Sof(H78A)=Sof(H78B)=Sof(H78C)=Sof(C79)=Sof(H79A)=Sof(H79B)=Sof(H79C)=
 Sof(C80)=Sof(H80A)=Sof(H80B)=Sof(H80C)=FVAR(6)
 Sof(C369)=Sof(C370)=Sof(H37A)=Sof(H37B)=Sof(H37C)=Sof(C371)=Sof(H37D)=
 Sof(H37E)=Sof(H37F)=Sof(C372)=Sof(H37G)=Sof(H37H)=Sof(H37I)=1-FVAR(7)
 Sof(C29)=Sof(C30)=Sof(H30A)=Sof(H30B)=Sof(H30C)=Sof(C31)=Sof(H31A)=Sof(H31B)=
 Sof(H31C)=Sof(C32)=Sof(H32A)=Sof(H32B)=Sof(H32C)=FVAR(7)
 Sof(C365)=Sof(C366)=Sof(H36P)=Sof(H36Q)=Sof(H36R)=Sof(C367)=Sof(H36S)=
 Sof(H36T)=Sof(H36U)=Sof(C368)=Sof(H36V)=Sof(H36W)=Sof(H36X)=1-FVAR(8)
 Sof(C189)=Sof(C190)=Sof(H19A)=Sof(H19B)=Sof(H19C)=Sof(C191)=Sof(H19D)=
 Sof(H19E)=Sof(H19F)=Sof(C192)=Sof(H19G)=Sof(H19H)=Sof(H19I)=FVAR(8)
 Sof(Cl2B)=Sof(C341)=Sof(C342)=Sof(H342)=Sof(C343)=Sof(H343)=Sof(C344)=
 Sof(H344)=Sof(C345)=Sof(H345)=Sof(C346)=Sof(H346)=1-FVAR(9)
 Sof(Cl2A)=Sof(C335)=Sof(C340)=Sof(H340)=Sof(C339)=Sof(H339)=Sof(C338)=
 Sof(H338)=Sof(C337)=Sof(H337)=Sof(C336)=Sof(H336)=FVAR(9)
 Sof(Cu2A)=1-FVAR(10)
 Sof(Cu2)=FVAR(10)
 Sof(C354)=Sof(C355)=Sof(H35M)=Sof(H35N)=Sof(H35O)=Sof(C356)=Sof(H35P)=
 Sof(H35Q)=Sof(H35R)=Sof(C357)=Sof(H35S)=Sof(H35T)=Sof(H35U)=1-FVAR(11)
 Sof(C61)=Sof(C62)=Sof(H62A)=Sof(H62B)=Sof(H62C)=Sof(C63)=Sof(H63A)=Sof(H63B)=
 Sof(H63C)=Sof(C64)=Sof(H64A)=Sof(H64B)=Sof(H64C)=FVAR(11)
 Sof(Cl0B)=Sof(C329)=Sof(C334)=Sof(H334)=Sof(C333)=Sof(H333)=Sof(C332)=
 Sof(H332)=Sof(C331)=Sof(H331)=Sof(C330)=Sof(H330)=1-FVAR(12)
 Sof(Cl0A)=Sof(C323)=Sof(C328)=Sof(H328)=Sof(C327)=Sof(H327)=Sof(C326)=
 Sof(H326)=Sof(C325)=Sof(H325)=Sof(C324)=Sof(H324)=FVAR(12)
 Sof(C358)=Sof(C359)=Sof(H35V)=Sof(H35W)=Sof(H35X)=Sof(C360)=Sof(H36A)=
 Sof(H36B)=Sof(H36C)=Sof(C361)=Sof(H36D)=Sof(H36E)=Sof(H36F)=1-FVAR(13)
 Sof(C253)=Sof(C254)=Sof(H25J)=Sof(H25K)=Sof(H25L)=Sof(C255)=Sof(H25M)=
 Sof(H25N)=Sof(H25O)=Sof(C256)=Sof(H25P)=Sof(H25Q)=Sof(H25R)=FVAR(13)
 Fixed Sof: Cl1A(0.5) C313(0.5) H313(0.5) C312(0.5) H312(0.5) C311(0.5)
 C316(0.5) H316(0.5) C315(0.5) H315(0.5) C314(0.5) H314(0.5) Cl10(0.5)
 C293(0.5) C294(0.5) H294(0.5) C295(0.5) H295(0.5) C296(0.5) H296(0.5)
 C297(0.5) H297(0.5) C298(0.5) H298(0.5)
6.a Secondary CH2 refined with riding coordinates:
 C317(H31D,H31E)
6.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C6(H6), C8(H8), C20(H20), C22(H22), C24(H24), C36(H36), C38(H38),
 C40(H40), C52(H52), C54(H54), C56(H56), C68(H68), C70(H70), C72(H72), C84(H84),
  C86(H86), C88(H88), C100(H100), C102(H102), C104(H104), C116(H116),
 C118(H118), C120(H120), C132(H132), C134(H134), C136(H136), C148(H148),
 C150(H150), C152(H152), C164(H164), C166(H166), C168(H168), C180(H180),
 C182(H182), C184(H184), C196(H196), C198(H198), C200(H200), C212(H212),
 C214(H214), C216(H216), C228(H228), C230(H230), C232(H232), C244(H244),
 C246(H246), C248(H248), C319(H319), C321(H321), C318(H318), C309(H309),
 C310(H310), C305(H305), C306(H306), C307(H307), C328(H328), C327(H327),
 C326(H326), C325(H325), C324(H324), C282(H282), C283(H283), C284(H284),
 C285(H285), C286(H286), C334(H334), C333(H333), C332(H332), C331(H331),
 C330(H330), C288(H288), C289(H289), C290(H290), C291(H291), C292(H292),
 C276(H276), C277(H277), C278(H278), C279(H279), C280(H280), C270(H270),
 C271(H271), C272(H272), C273(H273), C274(H274), C313(H313), C312(H312),
 C316(H316), C315(H315), C314(H314), C300(H300), C301(H301), C302(H302),
 C303(H303), C304(H304), C268(H268), C267(H267), C266(H266), C265(H265),
 C264(H264), C258(H258), C262(H262), C261(H261), C260(H260), C259(H259),
 C340(H340), C339(H339), C338(H338), C337(H337), C336(H336), C342(H342),
 C343(H343), C344(H344), C345(H345), C346(H346), C294(H294), C295(H295),
 C296(H296), C297(H297), C298(H298)
6.c Fitted hexagon refined as free rotating group:
 C319(C320,C321,C322,C317,C318), C308(C309,C310,C305,C306,C307), C323(C328,
 C327,C326,C325,C324), C281(C282,C283,C284,C285,C286), C329(C334,C333,C332,C331,
 C330), C287(C288,C289,C290,C291,C292), C313(C312,C311,C316,C315,C314),
 C299(C300,C301,C302,C303,C304), C263(C268,C267,C266,C265,C264), C258(C257,C262,
 C261,C260,C259), C335(C340,C339,C338,C337,C336), C341(C342,C343,C344,C345,
 C346), C293(C294,C295,C296,C297,C298)
6.d Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C14(H14A,H14B,
 H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C26(H26A,H26B,H26C), C27(H27A,
 H27B,H27C), C28(H28A,H28B,H28C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C),
 C32(H32A,H32B,H32C), C42(H42A,H42B,H42C), C43(H43A,H43B,H43C), C44(H44A,H44B,
 H44C), C46(H46A,H46B,H46C), C47(H47A,H47B,H47C), C48(H48A,H48B,H48C), C58(H58A,
 H58B,H58C), C59(H59A,H59B,H59C), C60(H60A,H60B,H60C), C62(H62A,H62B,H62C),
 C63(H63A,H63B,H63C), C64(H64A,H64B,H64C), C74(H74A,H74B,H74C), C75(H75A,H75B,
 H75C), C76(H76A,H76B,H76C), C78(H78A,H78B,H78C), C79(H79A,H79B,H79C), C80(H80A,
 H80B,H80C), C90(H90A,H90B,H90C), C91(H91A,H91B,H91C), C92(H92A,H92B,H92C),
 C94(H94A,H94B,H94C), C95(H95A,H95B,H95C), C96(H96A,H96B,H96C), C106(H10D,H10E,
 H10F), C107(H10G,H10H,H10I), C108(H10J,H10K,H10L), C110(H11D,H11E,H11F),
 C111(H11G,H11H,H11I), C112(H11J,H11K,H11L), C122(H12D,H12E,H12F), C123(H12G,
 H12H,H12I), C124(H12J,H12K,H12L), C126(H12M,H12N,H12O), C127(H12P,H12Q,H12R),
 C128(H12S,H12T,H12U), C138(H13A,H13B,H13C), C139(H13D,H13E,H13F), C140(H14D,
 H14E,H14F), C142(H14G,H14H,H14I), C143(H14J,H14K,H14L), C144(H14M,H14N,H14O),
 C154(H15D,H15E,H15F), C155(H15G,H15H,H15I), C156(H15J,H15K,H15L), C158(H15M,
 H15N,H15O), C159(H15P,H15Q,H15R), C160(H16D,H16E,H16F), C170(H17A,H17B,H17C),
 C171(H17D,H17E,H17F), C172(H17G,H17H,H17I), C174(H17J,H17K,H17L), C175(H17M,
 H17N,H17O), C176(H17P,H17Q,H17R), C186(H18A,H18B,H18C), C187(H18D,H18E,H18F),
 C188(H18G,H18H,H18I), C190(H19A,H19B,H19C), C191(H19D,H19E,H19F), C192(H19G,
 H19H,H19I), C202(H20A,H20B,H20C), C203(H20D,H20E,H20F), C204(H20G,H20H,H20I),
 C206(H20J,H20K,H20L), C207(H20M,H20N,H20O), C208(H20P,H20Q,H20R), C218(H21A,
 H21B,H21C), C219(H21D,H21E,H21F), C220(H22A,H22B,H22C), C222(H22D,H22E,H22F),
 C223(H22G,H22H,H22I), C224(H22J,H22K,H22L), C234(H23A,H23B,H23C), C235(H23D,
 H23E,H23F), C236(H23G,H23H,H23I), C238(H23J,H23K,H23L), C239(H23M,H23N,H23O),
 C240(H24A,H24B,H24C), C250(H25A,H25B,H25C), C251(H25D,H25E,H25F), C252(H25G,
 H25H,H25I), C254(H25J,H25K,H25L), C255(H25M,H25N,H25O), C256(H25P,H25Q,H25R),
 C348(H34A,H34B,H34C), C349(H34D,H34E,H34F), C350(H35A,H35B,H35C), C351(H35D,
 H35E,H35F), C352(H35G,H35H,H35I), C353(H35J,H35K,H35L), C355(H35M,H35N,H35O),
 C356(H35P,H35Q,H35R), C357(H35S,H35T,H35U), C359(H35V,H35W,H35X), C360(H36A,
 H36B,H36C), C361(H36D,H36E,H36F), C362(H36G,H36H,H36I), C363(H36J,H36K,H36L),
 C364(H36M,H36N,H36O), C366(H36P,H36Q,H36R), C367(H36S,H36T,H36U), C368(H36V,
 H36W,H36X), C370(H37A,H37B,H37C), C371(H37D,H37E,H37F), C372(H37G,H37H,H37I)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.36770(2) 0.36419(2) 0.74165(2) 0.06140(10) Uani 1 1 d . . . . .
Au2 Au 0.13288(2) 0.35619(2) 0.82199(2) 0.04549(7) Uani 1 1 d . . . . .
Au3 Au 0.14364(2) 0.20731(2) 0.73264(2) 0.03794(6) Uani 1 1 d . . . . .
Au4 Au 0.35699(2) 0.19055(2) 0.64595(2) 0.03520(6) Uani 1 1 d . . . . .
Au5 Au 0.02583(2) 0.12875(2) 0.72548(2) 0.06281(9) Uani 1 1 d . . . . .
Au6 Au 0.23706(2) 0.11683(2) 0.81551(2) 0.03978(6) Uani 1 1 d . . . . .
Au7 Au 0.25565(2) 0.27752(2) 0.73678(2) 0.03826(6) Uani 1 1 d . . . . .
Au8 Au 0.07046(2) 0.30273(2) 0.64927(2) 0.04359(7) Uani 1 1 d . . . . .
Ag1 Ag 0.16485(4) 0.23358(2) 0.82212(2) 0.06012(16) Uani 1 1 d . . . . .
Ag2 Ag 0.20844(2) 0.23386(2) 0.64396(2) 0.04966(13) Uani 1 1 d . . . . .
Ag3 Ag 0.31098(3) 0.15724(2) 0.73720(2) 0.04685(12) Uani 1 1 d . . . . .
Ag4 Ag 0.11570(3) 0.34398(2) 0.72824(2) 0.05840(15) Uani 1 1 d . . . . .
Cu1 Cu 0.23710(12) 0.39881(10) 0.78884(8) 0.0554(4) Uani 0.445(2) 1 d . . P A 1
Cu1A Cu 0.28038(10) 0.32790(8) 0.81047(6) 0.0554(4) Uani 0.555(2) 1 d . . P A 2
Cu2 Cu 0.40713(7) 0.26290(4) 0.69129(4) 0.0471(3) Uani 0.838(2) 1 d . . P A 1
Cu2A Cu 0.3740(3) 0.2782(2) 0.68967(19) 0.0471(3) Uani 0.162(2) 1 d . . P A 2
Cu3 Cu 0.11628(7) 0.10787(6) 0.79166(6) 0.0653(4) Uani 0.736(2) 1 d . . P B 1
Cu3A Cu 0.1686(2) 0.09507(16) 0.74106(16) 0.0653(4) Uani 0.264(2) 1 d . . P B 2
Cu4 Cu 0.03019(10) 0.20911(8) 0.66218(8) 0.0576(4) Uani 0.545(2) 1 d . . P B 1
Cu4A Cu 0.00590(12) 0.24489(10) 0.72014(9) 0.0576(4) Uani 0.455(2) 1 d . . P B
2
C1 C 0.3304(5) 0.3898(4) 0.8012(3) 0.067(3) Uani 1 1 d . . . . .
C2 C 0.3049(4) 0.4045(3) 0.8387(3) 0.060(2) Uani 1 1 d . . . . .
C3 C 0.2896(4) 0.4250(3) 0.8832(3) 0.058(2) Uani 1 1 d . . . . .
C4 C 0.3373(4) 0.4391(4) 0.9052(3) 0.073(3) Uani 1 1 d . . . . .
H4 H 0.3825 0.4352 0.8915 0.087 Uiso 1 1 calc R . . . .
C5 C 0.3206(5) 0.4596(4) 0.9487(3) 0.075(3) Uani 1 1 d . . . . .
C6 C 0.2540(5) 0.4676(4) 0.9670(3) 0.075(3) Uani 1 1 d . . . . .
H6 H 0.2421 0.4824 0.9957 0.090 Uiso 1 1 calc R . . . .
C7 C 0.2038(4) 0.4548(3) 0.9446(2) 0.0516(19) Uani 1 1 d . . . . .
C8 C 0.2220(4) 0.4334(3) 0.9026(3) 0.0524(19) Uani 1 1 d . . . . .
H8 H 0.1883 0.4244 0.8868 0.063 Uiso 1 1 calc R . . . .
C9 C 0.3729(5) 0.4758(5) 0.9743(4) 0.112(4) Uani 1 1 d . . . . .
C10 C 0.4469(6) 0.4550(6) 0.9520(5) 0.122(4) Uani 1 1 d . . . . .
H10A H 0.4775 0.4445 0.9746 0.183 Uiso 1 1 calc GR . . . .
H10B H 0.4613 0.4838 0.9338 0.183 Uiso 1 1 calc GR . . . .
H10C H 0.4483 0.4236 0.9335 0.183 Uiso 1 1 calc GR . . . .
C11 C 0.3715(8) 0.4470(6) 1.0207(5) 0.129(5) Uani 1 1 d . . . . .
H11A H 0.3755 0.4081 1.0167 0.194 Uiso 1 1 calc GR . . . .
H11B H 0.3287 0.4621 1.0386 0.194 Uiso 1 1 calc GR . . . .
H11C H 0.4096 0.4531 1.0356 0.194 Uiso 1 1 calc GR . . . .
C12 C 0.3581(6) 0.5351(5) 0.9806(5) 0.113(4) Uani 1 1 d . . . . .
H12A H 0.3886 0.5444 1.0003 0.169 Uiso 1 1 calc GR . . . .
H12B H 0.3109 0.5473 0.9936 0.169 Uiso 1 1 calc GR . . . .
H12C H 0.3649 0.5528 0.9522 0.169 Uiso 1 1 calc GR . . . .
C13 C 0.1287(4) 0.4657(3) 0.9665(3) 0.061(2) Uani 1 1 d . . . . .
C14 C 0.0949(6) 0.5232(4) 0.9542(4) 0.090(4) Uani 1 1 d . . . . .
H14A H 0.1163 0.5492 0.9674 0.134 Uiso 1 1 calc GR . . . .
H14B H 0.0464 0.5302 0.9650 0.134 Uiso 1 1 calc GR . . . .
H14C H 0.1002 0.5271 0.9222 0.134 Uiso 1 1 calc GR . . . .
C15 C 0.1269(6) 0.4612(6) 1.0165(3) 0.098(4) Uani 1 1 d . . . . .
H15A H 0.1469 0.4240 1.0244 0.147 Uiso 1 1 calc GR . . . .
H15B H 0.0798 0.4710 1.0300 0.147 Uiso 1 1 calc GR . . . .
H15C H 0.1530 0.4859 1.0270 0.147 Uiso 1 1 calc GR . . . .
C16 C 0.0943(5) 0.4256(4) 0.9505(3) 0.078(3) Uani 1 1 d . . . . .
H16A H 0.0949 0.4286 0.9186 0.117 Uiso 1 1 calc GR . . . .
H16B H 0.0472 0.4321 0.9643 0.117 Uiso 1 1 calc GR . . . .
H16C H 0.1179 0.3892 0.9580 0.117 Uiso 1 1 calc GR . . . .
C17 C 0.4102(5) 0.3415(3) 0.6812(3) 0.063(2) Uani 1 1 d . . . . .
C18 C 0.4388(4) 0.3236(3) 0.6456(2) 0.0516(19) Uani 1 1 d . . . . .
C19 C 0.4763(4) 0.3159(3) 0.6029(2) 0.0482(18) Uani 1 1 d . . . . .
C20 C 0.5069(4) 0.3571(3) 0.5848(2) 0.0517(19) Uani 1 1 d . . . . .
H20 H 0.5002 0.3902 0.6003 0.062 Uiso 1 1 calc R . . . .
C21 C 0.5461(4) 0.3509(3) 0.5455(3) 0.059(2) Uani 1 1 d . . . . .
C22 C 0.5576(4) 0.2996(3) 0.5233(3) 0.057(2) Uani 1 1 d . . . . .
H22 H 0.5861 0.2941 0.4963 0.068 Uiso 1 1 calc R . . . .
C23 C 0.5281(3) 0.2586(3) 0.5405(2) 0.0484(18) Uani 1 1 d . . . . .
C24 C 0.4882(4) 0.2661(3) 0.5815(2) 0.0477(18) Uani 1 1 d . . . . .
H24 H 0.4694 0.2374 0.5946 0.057 Uiso 1 1 calc R . . . .
C25 C 0.5796(5) 0.3950(4) 0.5245(3) 0.085(3) Uani 1 1 d . . . . .
C26 C 0.6569(5) 0.3741(5) 0.5152(4) 0.102(4) Uani 1 1 d . . . . .
H26A H 0.6742 0.3558 0.5414 0.154 Uiso 1 1 calc GR . . . .
H26B H 0.6789 0.4046 0.5078 0.154 Uiso 1 1 calc GR . . . .
H26C H 0.6667 0.3485 0.4906 0.154 Uiso 1 1 calc GR . . . .
C27 C 0.5486(6) 0.4172(5) 0.4841(4) 0.114(4) Uani 1 1 d . . . . .
H27A H 0.5642 0.3912 0.4600 0.171 Uiso 1 1 calc GR . . . .
H27B H 0.5623 0.4513 0.4759 0.171 Uiso 1 1 calc GR . . . .
H27C H 0.4990 0.4237 0.4899 0.171 Uiso 1 1 calc GR . . . .
C28 C 0.5702(7) 0.4449(5) 0.5570(5) 0.119(5) Uani 1 1 d . . . . .
H28A H 0.5220 0.4625 0.5620 0.178 Uiso 1 1 calc GR . . . .
H28B H 0.5963 0.4709 0.5439 0.178 Uiso 1 1 calc GR . . . .
H28C H 0.5864 0.4320 0.5850 0.178 Uiso 1 1 calc GR . . . .
C29 C 0.5409(4) 0.2057(5) 0.5145(3) 0.065(3) Uani 0.546(10) 1 d D . P C 1
C30 C 0.6146(5) 0.1788(7) 0.5199(6) 0.095(6) Uani 0.546(10) 1 d D . P C 1
H30A H 0.6453 0.1956 0.4998 0.142 Uiso 0.546(10) 1 calc GR . P C 1
H30B H 0.6224 0.1402 0.5132 0.142 Uiso 0.546(10) 1 calc GR . P C 1
H30C H 0.6233 0.1835 0.5502 0.142 Uiso 0.546(10) 1 calc GR . P C 1
C31 C 0.5325(9) 0.2181(7) 0.4659(3) 0.095(5) Uani 0.546(10) 1 d D . P C 1
H31A H 0.4850 0.2349 0.4631 0.142 Uiso 0.546(10) 1 calc GR . P C 1
H31B H 0.5455 0.1844 0.4490 0.142 Uiso 0.546(10) 1 calc GR . P C 1
H31C H 0.5616 0.2429 0.4548 0.142 Uiso 0.546(10) 1 calc GR . P C 1
C32 C 0.4947(6) 0.1682(5) 0.5334(5) 0.089(4) Uani 0.546(10) 1 d D . P C 1
H32A H 0.5017 0.1603 0.5641 0.134 Uiso 0.546(10) 1 calc GR . P C 1
H32B H 0.5056 0.1345 0.5165 0.134 Uiso 0.546(10) 1 calc GR . P C 1
H32C H 0.4472 0.1860 0.5316 0.134 Uiso 0.546(10) 1 calc GR . P C 1
C33 C 0.1279(4) 0.3062(3) 0.8724(2) 0.0449(17) Uani 1 1 d . . . . .
C34 C 0.1292(4) 0.2757(3) 0.9042(2) 0.0520(18) Uani 1 1 d . . . . .
C35 C 0.1296(4) 0.2437(3) 0.9437(2) 0.0473(18) Uani 1 1 d . . . . .
C36 C 0.0969(4) 0.2693(3) 0.9836(2) 0.0505(19) Uani 1 1 d . . . . .
H36 H 0.0736 0.3061 0.9831 0.061 Uiso 1 1 calc R . . . .
C37 C 0.0983(4) 0.2425(3) 1.0228(2) 0.054(2) Uani 1 1 d . . . . .
C38 C 0.1346(4) 0.1857(3) 1.0210(3) 0.054(2) Uani 1 1 d . . . . .
H38 H 0.1368 0.1656 1.0475 0.065 Uiso 1 1 calc R . . . .
C39 C 0.1648(4) 0.1611(3) 0.9835(2) 0.0511(18) Uani 1 1 d . . . . .
C40 C 0.1643(3) 0.1910(3) 0.9440(2) 0.0461(17) Uani 1 1 d . . . . .
H40 H 0.1881 0.1744 0.9176 0.055 Uiso 1 1 calc R . . . .
C41 C 0.0687(5) 0.2706(3) 1.0659(3) 0.067(3) Uani 1 1 d . . . . .
C42 C 0.1238(6) 0.2935(5) 1.0834(3) 0.089(3) Uani 1 1 d . . . . .
H42A H 0.1660 0.2659 1.0815 0.133 Uiso 1 1 calc GR . . . .
H42B H 0.1097 0.3045 1.1141 0.133 Uiso 1 1 calc GR . . . .
H42C H 0.1313 0.3250 1.0659 0.133 Uiso 1 1 calc GR . . . .
C43 C 0.0454(6) 0.2326(4) 1.1009(3) 0.083(3) Uani 1 1 d . . . . .
H43A H 0.0122 0.2149 1.0898 0.124 Uiso 1 1 calc GR . . . .
H43B H 0.0245 0.2534 1.1274 0.124 Uiso 1 1 calc GR . . . .
H43C H 0.0846 0.2052 1.1080 0.124 Uiso 1 1 calc GR . . . .
C44 C 0.0098(6) 0.3195(4) 1.0601(3) 0.083(3) Uani 1 1 d . . . . .
H44A H 0.0268 0.3463 1.0410 0.124 Uiso 1 1 calc GR . . . .
H44B H -0.0087 0.3358 1.0888 0.124 Uiso 1 1 calc GR . . . .
H44C H -0.0261 0.3072 1.0469 0.124 Uiso 1 1 calc GR . . . .
C45 C 0.2013(4) 0.1010(3) 0.9838(3) 0.058(2) Uani 1 1 d . . . . .
C46 C 0.2488(5) 0.0923(4) 1.0196(3) 0.073(3) Uani 1 1 d . . . . .
H46A H 0.2739 0.1215 1.0186 0.110 Uiso 1 1 calc GR . . . .
H46B H 0.2809 0.0576 1.0149 0.110 Uiso 1 1 calc GR . . . .
H46C H 0.2221 0.0923 1.0484 0.110 Uiso 1 1 calc GR . . . .
C47 C 0.1495(5) 0.0661(4) 0.9921(3) 0.069(3) Uani 1 1 d . . . . .
H47A H 0.1173 0.0800 1.0177 0.104 Uiso 1 1 calc GR . . . .
H47B H 0.1725 0.0289 0.9977 0.104 Uiso 1 1 calc GR . . . .
H47C H 0.1249 0.0669 0.9663 0.104 Uiso 1 1 calc GR . . . .
C48 C 0.2467(4) 0.0827(3) 0.9396(3) 0.060(2) Uani 1 1 d . . . . .
H48A H 0.2176 0.0806 0.9166 0.089 Uiso 1 1 calc GR . . . .
H48B H 0.2758 0.0471 0.9435 0.089 Uiso 1 1 calc GR . . . .
H48C H 0.2750 0.1090 0.9311 0.089 Uiso 1 1 calc GR . . . .
C49 C 0.1464(4) 0.4091(3) 0.7730(2) 0.0496(19) Uani 1 1 d . . . . .
C50 C 0.1601(4) 0.4440(3) 0.7496(3) 0.056(2) Uani 1 1 d . . . . .
C51 C 0.1716(4) 0.4890(3) 0.7221(2) 0.0515(19) Uani 1 1 d . . . . .
C52 C 0.1258(5) 0.5371(3) 0.7241(3) 0.063(2) Uani 1 1 d . . . . .
H52 H 0.0840 0.5405 0.7423 0.076 Uiso 1 1 calc DR . . . .
C53 C 0.1400(6) 0.5821(3) 0.6991(4) 0.078(3) Uani 1 1 d . . . . .
C54 C 0.2015(6) 0.5751(3) 0.6747(4) 0.081(3) Uani 1 1 d . . . . .
H54 H 0.2128 0.6052 0.6588 0.098 Uiso 1 1 calc R . . . .
C55 C 0.2509(6) 0.5243(4) 0.6714(4) 0.089(3) Uani 1 1 d . . . . .
C56 C 0.2359(5) 0.4827(3) 0.6955(3) 0.072(3) Uani 1 1 d . . . . .
H56 H 0.2677 0.4492 0.6950 0.087 Uiso 1 1 calc R . . . .
C57 C 0.0901(6) 0.6380(3) 0.7001(4) 0.088(4) Uani 1 1 d . . . . .
C58 C 0.1223(8) 0.6825(5) 0.7060(5) 0.116(5) Uani 1 1 d . . . . .
H58A H 0.1500 0.6746 0.7304 0.173 Uiso 1 1 calc GR . . . .
H58B H 0.0876 0.7155 0.7125 0.173 Uiso 1 1 calc GR . . . .
H58C H 0.1514 0.6876 0.6791 0.173 Uiso 1 1 calc GR . . . .
C59 C 0.0252(8) 0.6383(5) 0.7340(5) 0.136(6) Uani 1 1 d . . . . .
H59A H 0.0386 0.6330 0.7638 0.204 Uiso 1 1 calc DGR . . . .
H59B H 0.0035 0.6089 0.7269 0.204 Uiso 1 1 calc GR . . . .
H59C H -0.0069 0.6730 0.7325 0.204 Uiso 1 1 calc GR . . . .
C60 C 0.0662(10) 0.6503(7) 0.6514(5) 0.160(7) Uani 1 1 d . . . . .
H60A H 0.0999 0.6662 0.6331 0.239 Uiso 1 1 calc GR . . . .
H60B H 0.0221 0.6756 0.6537 0.239 Uiso 1 1 calc GR . . . .
H60C H 0.0622 0.6165 0.6381 0.239 Uiso 1 1 calc GR . . . .
C61 C 0.3246(5) 0.5189(3) 0.6480(3) 0.093(4) Uani 0.826(11) 1 d D . P D 1
C62 C 0.3346(8) 0.5698(4) 0.6218(5) 0.115(7) Uani 0.826(11) 1 d D . P D 1
H62A H 0.2956 0.5827 0.6054 0.173 Uiso 0.826(11) 1 calc GR . P D 1
H62B H 0.3761 0.5610 0.6012 0.173 Uiso 0.826(11) 1 calc GR . P D 1
H62C H 0.3384 0.5981 0.6421 0.173 Uiso 0.826(11) 1 calc GR . P D 1
C63 C 0.3333(6) 0.4712(4) 0.6163(4) 0.092(4) Uani 0.826(11) 1 d D . P D 1
H63A H 0.3214 0.4401 0.6325 0.137 Uiso 0.826(11) 1 calc GR . P D 1
H63B H 0.3806 0.4617 0.6030 0.137 Uiso 0.826(11) 1 calc GR . P D 1
H63C H 0.3034 0.4815 0.5932 0.137 Uiso 0.826(11) 1 calc GR . P D 1
C64 C 0.3786(5) 0.5047(6) 0.6803(3) 0.104(5) Uani 0.826(11) 1 d D . P D 1
H64A H 0.3917 0.5378 0.6888 0.156 Uiso 0.826(11) 1 calc GR . P D 1
H64B H 0.4186 0.4797 0.6661 0.156 Uiso 0.826(11) 1 calc GR . P D 1
H64C H 0.3598 0.4877 0.7065 0.156 Uiso 0.826(11) 1 calc GR . P D 1
C65 C 0.2112(3) 0.1482(3) 0.6996(2) 0.0443(16) Uani 1 1 d . . . . .
C66 C 0.2473(3) 0.1081(2) 0.67970(18) 0.0352(15) Uani 1 1 d . . . . .
C67 C 0.2848(3) 0.0608(3) 0.6561(2) 0.0421(16) Uani 1 1 d . . . . .
C68 C 0.3053(3) 0.0112(3) 0.6770(2) 0.0434(17) Uani 1 1 d . . . . .
H68 H 0.2972 0.0090 0.7081 0.052 Uiso 1 1 calc R . . . .
C69 C 0.3377(4) -0.0351(3) 0.6528(2) 0.0474(18) Uani 1 1 d . . . . .
C70 C 0.3524(4) -0.0278(3) 0.6062(2) 0.054(2) Uani 1 1 d . . . . .
H70 H 0.3769 -0.0579 0.5889 0.065 Uiso 1 1 calc R . . . .
C71 C 0.3323(4) 0.0212(3) 0.5855(2) 0.0477(19) Uani 1 1 d . . . . .
C72 C 0.2977(3) 0.0657(3) 0.6105(2) 0.0440(17) Uani 1 1 d . . . . .
H72 H 0.2827 0.0993 0.5966 0.053 Uiso 1 1 calc R . . . .
C73 C 0.3597(5) -0.0904(3) 0.6725(3) 0.064(2) Uani 1 1 d . . . . .
C74 C 0.4373(5) -0.1132(4) 0.6600(3) 0.081(3) Uani 1 1 d . . . . .
H74A H 0.4442 -0.1349 0.6332 0.121 Uiso 1 1 calc GR . . . .
H74B H 0.4556 -0.1358 0.6840 0.121 Uiso 1 1 calc GR . . . .
H74C H 0.4607 -0.0830 0.6551 0.121 Uiso 1 1 calc GR . . . .
C75 C 0.3235(5) -0.1293(3) 0.6532(3) 0.085(3) Uani 1 1 d . . . . .
H75A H 0.2747 -0.1190 0.6627 0.128 Uiso 1 1 calc GR . . . .
H75B H 0.3412 -0.1661 0.6632 0.128 Uiso 1 1 calc GR . . . .
H75C H 0.3313 -0.1280 0.6211 0.128 Uiso 1 1 calc GR . . . .
C76 C 0.3435(6) -0.0902(3) 0.7228(3) 0.077(3) Uani 1 1 d . . . . .
H76A H 0.3735 -0.0711 0.7359 0.115 Uiso 1 1 calc GR . . . .
H76B H 0.3504 -0.1275 0.7336 0.115 Uiso 1 1 calc GR . . . .
H76C H 0.2961 -0.0719 0.7309 0.115 Uiso 1 1 calc GR . . . .
C77 C 0.3461(5) 0.0242(4) 0.5350(2) 0.065(2) Uani 1 1 d . . . . .
C78 C 0.3077(11) -0.0190(7) 0.5164(5) 0.090(5) Uani 0.590(9) 1 d . . P E 1
H78A H 0.3219 -0.0542 0.5303 0.135 Uiso 0.590(9) 1 calc GR . P E 1
H78B H 0.3195 -0.0226 0.4845 0.135 Uiso 0.590(9) 1 calc GR . P E 1
H78C H 0.2585 -0.0063 0.5230 0.135 Uiso 0.590(9) 1 calc GR . P E 1
C79 C 0.4218(9) -0.0034(8) 0.5224(5) 0.088(5) Uani 0.590(9) 1 d . . P E 1
H79A H 0.4506 0.0223 0.5265 0.133 Uiso 0.590(9) 1 calc GR . P E 1
H79B H 0.4286 -0.0148 0.4916 0.133 Uiso 0.590(9) 1 calc GR . P E 1
H79C H 0.4340 -0.0350 0.5412 0.133 Uiso 0.590(9) 1 calc GR . P E 1
C80 C 0.3241(7) 0.0785(6) 0.5168(4) 0.063(3) Uani 0.590(9) 1 d . . P E 1
H80A H 0.2750 0.0910 0.5245 0.094 Uiso 0.590(9) 1 calc GR . P E 1
H80B H 0.3346 0.0773 0.4848 0.094 Uiso 0.590(9) 1 calc GR . P E 1
H80C H 0.3480 0.1036 0.5291 0.094 Uiso 0.590(9) 1 calc GR . P E 1
C81 C 0.0699(3) 0.2617(3) 0.7636(2) 0.0444(16) Uani 1 1 d . . . . .
C82 C 0.0175(3) 0.2917(3) 0.7827(2) 0.0440(16) Uani 1 1 d . . . . .
C83 C -0.0435(3) 0.3247(3) 0.8050(2) 0.0396(15) Uani 1 1 d . . . . .
C84 C -0.0501(4) 0.3270(3) 0.8514(2) 0.0468(18) Uani 1 1 d . . . . .
H84 H -0.0141 0.3091 0.8672 0.056 Uiso 1 1 calc R . . . .
C85 C -0.1102(4) 0.3558(3) 0.8733(2) 0.0490(19) Uani 1 1 d . . . . .
C86 C -0.1613(4) 0.3819(3) 0.8494(3) 0.056(2) Uani 1 1 d . . . . .
H86 H -0.2015 0.4022 0.8650 0.068 Uiso 1 1 calc R . . . .
C87 C -0.1572(4) 0.3801(3) 0.8042(3) 0.055(2) Uani 1 1 d . . . . .
C88 C -0.0959(3) 0.3519(3) 0.7818(2) 0.0461(17) Uani 1 1 d . . . . .
H88 H -0.0901 0.3513 0.7506 0.055 Uiso 1 1 calc R . . . .
C89 C -0.1159(5) 0.3586(3) 0.9242(2) 0.059(2) Uani 1 1 d . . . . .
C90 C -0.0566(5) 0.3798(4) 0.9390(3) 0.072(3) Uani 1 1 d . . . . .
H90A H -0.0152 0.3660 0.9193 0.108 Uiso 1 1 calc GR . . . .
H90B H -0.0497 0.3674 0.9690 0.108 Uiso 1 1 calc GR . . . .
H90C H -0.0669 0.4194 0.9383 0.108 Uiso 1 1 calc GR . . . .
C91 C -0.1173(6) 0.3011(4) 0.9416(3) 0.088(4) Uani 1 1 d . . . . .
H91A H -0.1536 0.2880 0.9297 0.132 Uiso 1 1 calc GR . . . .
H91B H -0.1255 0.3020 0.9737 0.132 Uiso 1 1 calc GR . . . .
H91C H -0.0736 0.2769 0.9324 0.132 Uiso 1 1 calc GR . . . .
C92 C -0.1813(5) 0.3969(4) 0.9433(3) 0.073(3) Uani 1 1 d . . . . .
H92A H -0.1843 0.4325 0.9294 0.109 Uiso 1 1 calc GR . . . .
H92B H -0.1809 0.4006 0.9750 0.109 Uiso 1 1 calc GR . . . .
H92C H -0.2205 0.3822 0.9377 0.109 Uiso 1 1 calc GR . . . .
C93 C -0.2187(4) 0.4064(4) 0.7803(3) 0.064(2) Uani 1 1 d . . . . .
C94 C -0.2387(5) 0.4682(4) 0.7918(4) 0.079(3) Uani 1 1 d . . . . .
H94A H -0.2469 0.4728 0.8238 0.118 Uiso 1 1 calc GR . . . .
H94B H -0.2801 0.4847 0.7788 0.118 Uiso 1 1 calc GR . . . .
H94C H -0.2017 0.4857 0.7802 0.118 Uiso 1 1 calc GR . . . .
C95 C -0.2022(4) 0.4023(4) 0.7289(3) 0.074(3) Uani 1 1 d . . . . .
H95A H -0.1633 0.4187 0.7196 0.112 Uiso 1 1 calc GR . . . .
H95B H -0.2417 0.4213 0.7151 0.112 Uiso 1 1 calc GR . . . .
H95C H -0.1913 0.3642 0.7201 0.112 Uiso 1 1 calc GR . . . .
C96 C -0.2761(4) 0.3793(4) 0.7929(4) 0.086(3) Uani 1 1 d . . . . .
H96A H -0.2634 0.3416 0.7830 0.129 Uiso 1 1 calc GR . . . .
H96B H -0.3159 0.3979 0.7792 0.129 Uiso 1 1 calc GR . . . .
H96C H -0.2869 0.3803 0.8249 0.129 Uiso 1 1 calc GR . . . .
C97 C 0.3089(3) 0.2055(3) 0.5931(2) 0.0444(17) Uani 1 1 d . . . . .
C98 C 0.2808(3) 0.2177(3) 0.56018(19) 0.0397(16) Uani 1 1 d . . . . .
C99 C 0.2535(3) 0.2318(3) 0.5191(2) 0.0403(16) Uani 1 1 d . . . . .
C100 C 0.1880(4) 0.2644(3) 0.5176(2) 0.0487(19) Uani 1 1 d . . . . .
H100 H 0.1611 0.2772 0.5442 0.058 Uiso 1 1 calc R . . . .
C101 C 0.1627(3) 0.2779(3) 0.4787(2) 0.0473(18) Uani 1 1 d . . . . .
C102 C 0.2036(4) 0.2590(3) 0.4399(2) 0.0509(19) Uani 1 1 d . . . . .
H102 H 0.1860 0.2679 0.4127 0.061 Uiso 1 1 calc R . . . .
C103 C 0.2700(4) 0.2273(3) 0.4396(2) 0.0484(19) Uani 1 1 d . . . . .
C104 C 0.2936(3) 0.2133(3) 0.4804(2) 0.0451(18) Uani 1 1 d . . . . .
H104 H 0.3374 0.1911 0.4816 0.054 Uiso 1 1 calc R . . . .
C105 C 0.0894(6) 0.3105(4) 0.4782(3) 0.069(2) Uani 0.468(9) 1 d D U P F 1
C106 C 0.0860(9) 0.3647(5) 0.4997(6) 0.072(3) Uani 0.468(9) 1 d D U P F 1
H10D H 0.0949 0.3590 0.5303 0.107 Uiso 0.468(9) 1 calc GR . P F 1
H10E H 0.0407 0.3876 0.4986 0.107 Uiso 0.468(9) 1 calc GR . P F 1
H10F H 0.1201 0.3826 0.4840 0.107 Uiso 0.468(9) 1 calc GR . P F 1
C107 C 0.0366(7) 0.2874(7) 0.5083(5) 0.087(4) Uani 0.468(9) 1 d D U P F 1
H10G H 0.0301 0.2540 0.4954 0.131 Uiso 0.468(9) 1 calc GR . P F 1
H10H H -0.0065 0.3138 0.5116 0.131 Uiso 0.468(9) 1 calc GR . P F 1
H10I H 0.0527 0.2794 0.5372 0.131 Uiso 0.468(9) 1 calc GR . P F 1
C108 C 0.0685(9) 0.3215(11) 0.4317(4) 0.094(5) Uani 0.468(9) 1 d D U P F 1
H10J H 0.1051 0.3332 0.4129 0.141 Uiso 0.468(9) 1 calc GR . P F 1
H10K H 0.0272 0.3499 0.4330 0.141 Uiso 0.468(9) 1 calc GR . P F 1
H10L H 0.0599 0.2883 0.4197 0.141 Uiso 0.468(9) 1 calc GR . P F 1
C109 C 0.3120(4) 0.2088(3) 0.3962(2) 0.058(2) Uani 1 1 d . . . . .
C110 C 0.3855(5) 0.1818(6) 0.4016(3) 0.098(4) Uani 1 1 d . . . . .
H11D H 0.4057 0.2060 0.4178 0.146 Uiso 1 1 calc GR . . . .
H11E H 0.4114 0.1743 0.3725 0.146 Uiso 1 1 calc GR . . . .
H11F H 0.3865 0.1479 0.4177 0.146 Uiso 1 1 calc GR . . . .
C111 C 0.2826(7) 0.1697(5) 0.3731(4) 0.105(4) Uani 1 1 d . . . . .
H11G H 0.2807 0.1379 0.3918 0.158 Uiso 1 1 calc GR . . . .
H11H H 0.3110 0.1584 0.3455 0.158 Uiso 1 1 calc GR . . . .
H11I H 0.2366 0.1869 0.3670 0.158 Uiso 1 1 calc GR . . . .
C112 C 0.3166(7) 0.2559(5) 0.3658(4) 0.108(5) Uani 1 1 d . . . . .
H11J H 0.2894 0.2547 0.3416 0.162 Uiso 1 1 calc GR . . . .
H11K H 0.3641 0.2539 0.3540 0.162 Uiso 1 1 calc GR . . . .
H11L H 0.2993 0.2899 0.3821 0.162 Uiso 1 1 calc GR . . . .
C113 C 0.4096(3) 0.1821(2) 0.6968(2) 0.0408(15) Uani 1 1 d . . . . .
C114 C 0.4461(3) 0.1875(3) 0.7259(2) 0.0406(15) Uani 1 1 d . . . . .
C115 C 0.4947(3) 0.1834(3) 0.7576(2) 0.0441(16) Uani 1 1 d . . . . .
C116 C 0.5455(3) 0.1398(3) 0.7576(2) 0.0470(17) Uani 1 1 d . . . . .
H116 H 0.5478 0.1114 0.7374 0.056 Uiso 1 1 calc R . . . .
C117 C 0.5959(3) 0.1348(3) 0.7869(2) 0.0488(18) Uani 1 1 d . . . . .
C118 C 0.5885(4) 0.1782(3) 0.8149(3) 0.053(2) Uani 1 1 d . . . . .
H118 H 0.6212 0.1767 0.8349 0.063 Uiso 1 1 calc R . . . .
C119 C 0.5357(3) 0.2244(3) 0.8156(2) 0.0512(18) Uani 1 1 d . . . . .
C120 C 0.4878(3) 0.2264(3) 0.7868(2) 0.0437(16) Uani 1 1 d . . . . .
H120 H 0.4506 0.2564 0.7869 0.052 Uiso 1 1 calc R . . . .
C121 C 0.6551(4) 0.0869(3) 0.7831(3) 0.060(2) Uani 1 1 d . . . . .
C122 C 0.7040(6) 0.0925(5) 0.7440(4) 0.095(4) Uani 1 1 d . . . . .
H12D H 0.6821 0.0915 0.7173 0.142 Uiso 1 1 calc GR . . . .
H12E H 0.7438 0.0627 0.7435 0.142 Uiso 1 1 calc GR . . . .
H12F H 0.7182 0.1270 0.7456 0.142 Uiso 1 1 calc GR . . . .
C123 C 0.6310(5) 0.0330(3) 0.7812(4) 0.078(3) Uani 1 1 d . . . . .
H12G H 0.5939 0.0325 0.8047 0.117 Uiso 1 1 calc GR . . . .
H12H H 0.6689 0.0027 0.7852 0.117 Uiso 1 1 calc GR . . . .
H12I H 0.6149 0.0298 0.7527 0.117 Uiso 1 1 calc GR . . . .
C124 C 0.6941(5) 0.0822(4) 0.8244(3) 0.080(3) Uani 1 1 d . . . . .
H12J H 0.7182 0.1119 0.8246 0.121 Uiso 1 1 calc GR . . . .
H12K H 0.7269 0.0476 0.8236 0.121 Uiso 1 1 calc GR . . . .
H12L H 0.6618 0.0840 0.8510 0.121 Uiso 1 1 calc GR . . . .
C125 C 0.5317(4) 0.2713(3) 0.8481(3) 0.060(2) Uani 1 1 d . . . . .
C126 C 0.5425(5) 0.2473(4) 0.8936(3) 0.079(3) Uani 1 1 d . . . . .
H12M H 0.5023 0.2339 0.9057 0.119 Uiso 1 1 calc GR . . . .
H12N H 0.5498 0.2752 0.9130 0.119 Uiso 1 1 calc GR . . . .
H12O H 0.5822 0.2173 0.8911 0.119 Uiso 1 1 calc GR . . . .
C127 C 0.4676(5) 0.3117(4) 0.8502(3) 0.079(3) Uani 1 1 d . . . . .
H12P H 0.4614 0.3268 0.8209 0.119 Uiso 1 1 calc GR . . . .
H12Q H 0.4689 0.3407 0.8705 0.119 Uiso 1 1 calc GR . . . .
H12R H 0.4298 0.2944 0.8606 0.119 Uiso 1 1 calc GR . . . .
C128 C 0.5923(5) 0.2998(4) 0.8301(4) 0.078(3) Uani 1 1 d . . . . .
H12S H 0.6358 0.2750 0.8331 0.117 Uiso 1 1 calc GR . . . .
H12T H 0.5891 0.3328 0.8470 0.117 Uiso 1 1 calc GR . . . .
H12U H 0.5892 0.3090 0.7991 0.117 Uiso 1 1 calc GR . . . .
C129 C 0.0866(4) 0.0650(3) 0.7491(3) 0.063(2) Uani 1 1 d . . . . .
C130 C 0.1246(4) 0.0251(3) 0.7654(3) 0.062(2) Uani 1 1 d . . . . .
C131 C 0.1580(5) -0.0263(3) 0.7802(3) 0.068(2) Uani 1 1 d . . . . .
C132 C 0.2003(4) -0.0305(3) 0.8118(3) 0.056(2) Uani 1 1 d . . . . .
H132 H 0.2107 0.0011 0.8229 0.067 Uiso 1 1 calc R . . . .
C133 C 0.2290(5) -0.0821(3) 0.8284(3) 0.065(2) Uani 1 1 d . . . . .
C134 C 0.2100(6) -0.1266(3) 0.8117(3) 0.081(3) Uani 1 1 d . . . . .
H134 H 0.2280 -0.1616 0.8224 0.097 Uiso 1 1 calc R . . . .
C135 C 0.1654(5) -0.1211(3) 0.7797(3) 0.075(3) Uani 1 1 d . . . . .
C136 C 0.1408(5) -0.0703(3) 0.7648(3) 0.074(3) Uani 1 1 d . . . . .
H136 H 0.1106 -0.0659 0.7429 0.088 Uiso 1 1 calc R . . . .
C137 C 0.2750(6) -0.0868(4) 0.8640(3) 0.084(3) Uani 1 1 d . . . . .
C138 C 0.2302(6) -0.0560(5) 0.9047(4) 0.096(4) Uani 1 1 d . . . . .
H13A H 0.2578 -0.0571 0.9291 0.144 Uiso 1 1 calc GR . . . .
H13B H 0.1919 -0.0733 0.9137 0.144 Uiso 1 1 calc GR . . . .
H13C H 0.2129 -0.0182 0.8968 0.144 Uiso 1 1 calc GR . . . .
C139 C 0.3323(5) -0.0606(5) 0.8530(4) 0.099(3) Uani 1 1 d . . . . .
H13D H 0.3527 -0.0559 0.8797 0.149 Uiso 1 1 calc GR . . . .
H13E H 0.3164 -0.0251 0.8399 0.149 Uiso 1 1 calc GR . . . .
H13F H 0.3662 -0.0831 0.8320 0.149 Uiso 1 1 calc GR . . . .
C140 C 0.2927(7) -0.1426(5) 0.8806(4) 0.115(5) Uani 1 1 d . . . . .
H14D H 0.3319 -0.1630 0.8619 0.172 Uiso 1 1 calc GR . . . .
H14E H 0.2540 -0.1599 0.8802 0.172 Uiso 1 1 calc GR . . . .
H14F H 0.3041 -0.1418 0.9108 0.172 Uiso 1 1 calc GR . . . .
C141 C 0.1515(7) -0.1716(4) 0.7589(4) 0.105(4) Uani 1 1 d . . . . .
C142 C 0.2118(8) -0.2106(5) 0.7429(5) 0.135(5) Uani 1 1 d . . . . .
H14G H 0.2343 -0.1964 0.7166 0.203 Uiso 1 1 calc GR . . . .
H14H H 0.1993 -0.2445 0.7357 0.203 Uiso 1 1 calc GR . . . .
H14I H 0.2428 -0.2175 0.7657 0.203 Uiso 1 1 calc GR . . . .
C143 C 0.1030(8) -0.1581(5) 0.7237(5) 0.130(5) Uani 1 1 d . . . . .
H14J H 0.0616 -0.1329 0.7358 0.196 Uiso 1 1 calc GR . . . .
H14K H 0.0913 -0.1913 0.7142 0.196 Uiso 1 1 calc GR . . . .
H14L H 0.1250 -0.1413 0.6985 0.196 Uiso 1 1 calc GR . . . .
C144 C 0.1116(8) -0.1990(5) 0.7978(5) 0.129(5) Uani 1 1 d . . . . .
H14M H 0.1401 -0.2083 0.8217 0.193 Uiso 1 1 calc GR . . . .
H14N H 0.1006 -0.2318 0.7870 0.193 Uiso 1 1 calc GR . . . .
H14O H 0.0696 -0.1736 0.8086 0.193 Uiso 1 1 calc GR . . . .
C145 C -0.0429(4) 0.1897(4) 0.7023(3) 0.065(2) Uani 1 1 d . . . . .
C146 C -0.0796(4) 0.2256(4) 0.6868(3) 0.066(2) Uani 1 1 d . . . . .
C147 C -0.1354(4) 0.2616(4) 0.6697(3) 0.066(2) Uani 1 1 d . . . . .
C148 C -0.2023(5) 0.2542(4) 0.6796(3) 0.079(3) Uani 1 1 d . . . . .
H148 H -0.2108 0.2254 0.6983 0.094 Uiso 1 1 calc R . . . .
C149 C -0.2558(4) 0.2880(5) 0.6624(3) 0.092(3) Uani 1 1 d . . . . .
C150 C -0.2423(4) 0.3286(4) 0.6334(3) 0.079(3) Uani 1 1 d . . . . .
H150 H -0.2785 0.3496 0.6195 0.094 Uiso 1 1 calc R . . . .
C151 C -0.1775(4) 0.3398(4) 0.6241(3) 0.060(2) Uani 1 1 d . . . . .
C152 C -0.1243(4) 0.3061(4) 0.6421(3) 0.064(2) Uani 1 1 d . . . . .
H152 H -0.0798 0.3127 0.6361 0.076 Uiso 1 1 calc R . . . .
C153 C -0.3281(5) 0.2792(5) 0.6722(4) 0.108(4) Uani 1 1 d . . . . .
C154 C -0.3498(6) 0.2623(6) 0.6313(4) 0.129(5) Uani 1 1 d . . . . .
H15D H -0.3451 0.2894 0.6084 0.194 Uiso 1 1 calc GR . . . .
H15E H -0.3973 0.2590 0.6366 0.194 Uiso 1 1 calc GR . . . .
H15F H -0.3213 0.2273 0.6217 0.194 Uiso 1 1 calc GR . . . .
C155 C -0.3790(6) 0.3387(6) 0.6851(5) 0.113(5) Uani 1 1 d . . . . .
H15G H -0.3715 0.3500 0.7141 0.169 Uiso 1 1 calc GR . . . .
H15H H -0.4264 0.3355 0.6855 0.169 Uiso 1 1 calc GR . . . .
H15I H -0.3693 0.3656 0.6632 0.169 Uiso 1 1 calc GR . . . .
C156 C -0.3359(5) 0.2470(6) 0.7125(4) 0.127(4) Uani 1 1 d . . . . .
H15J H -0.3043 0.2119 0.7091 0.190 Uiso 1 1 calc GR . . . .
H15K H -0.3826 0.2416 0.7177 0.190 Uiso 1 1 calc GR . . . .
H15L H -0.3261 0.2663 0.7375 0.190 Uiso 1 1 calc GR . . . .
C157 C -0.1654(4) 0.3840(4) 0.5921(3) 0.069(2) Uani 1 1 d . . . . .
C158 C -0.1544(6) 0.3599(5) 0.5437(3) 0.100(4) Uani 1 1 d . . . . .
H15M H -0.1184 0.3271 0.5419 0.150 Uiso 1 1 calc GR . . . .
H15N H -0.1413 0.3867 0.5228 0.150 Uiso 1 1 calc GR . . . .
H15O H -0.1967 0.3510 0.5367 0.150 Uiso 1 1 calc GR . . . .
C159 C -0.2207(7) 0.4319(5) 0.5927(6) 0.130(6) Uani 1 1 d . . . . .
H15P H -0.2641 0.4205 0.5932 0.195 Uiso 1 1 calc GR . . . .
H15Q H -0.2137 0.4536 0.5663 0.195 Uiso 1 1 calc GR . . . .
H15R H -0.2214 0.4536 0.6189 0.195 Uiso 1 1 calc GR . . . .
C160 C -0.0989(6) 0.4010(5) 0.5980(4) 0.102(3) Uani 1 1 d . . . . .
H16D H -0.1010 0.4141 0.6281 0.153 Uiso 1 1 calc GR . . . .
H16E H -0.0923 0.4298 0.5772 0.153 Uiso 1 1 calc GR . . . .
H16F H -0.0610 0.3698 0.5926 0.153 Uiso 1 1 calc GR . . . .
C161 C 0.1419(3) 0.1453(2) 0.8412(2) 0.0384(15) Uani 1 1 d . . . . .
C162 C 0.0815(3) 0.1529(3) 0.8559(2) 0.0451(17) Uani 1 1 d . . . . .
C163 C 0.0115(3) 0.1593(3) 0.8758(2) 0.0409(16) Uani 1 1 d . . . . .
C164 C -0.0402(4) 0.1737(3) 0.8506(3) 0.0515(18) Uani 1 1 d . . . . .
H164 H -0.0303 0.1821 0.8205 0.062 Uiso 1 1 calc R . . . .
C165 C -0.1066(3) 0.1764(3) 0.8677(3) 0.0518(18) Uani 1 1 d . . . . .
C166 C -0.1192(4) 0.1669(3) 0.9126(3) 0.058(2) Uani 1 1 d . . . . .
H166 H -0.1648 0.1694 0.9250 0.070 Uiso 1 1 calc R . . . .
C167 C -0.0679(4) 0.1539(3) 0.9400(3) 0.056(2) Uani 1 1 d . . . . .
C168 C -0.0032(4) 0.1513(3) 0.9221(2) 0.0476(17) Uani 1 1 d . . . . .
H168 H 0.0327 0.1443 0.9401 0.057 Uiso 1 1 calc R . . . .
C169 C -0.1635(4) 0.1884(3) 0.8375(3) 0.061(2) Uani 1 1 d . . . . .
C170 C -0.1509(4) 0.1400(3) 0.8046(3) 0.063(2) Uani 1 1 d . . . . .
H17A H -0.1822 0.1486 0.7822 0.094 Uiso 1 1 calc GR . . . .
H17B H -0.1586 0.1075 0.8206 0.094 Uiso 1 1 calc GR . . . .
H17C H -0.1040 0.1337 0.7906 0.094 Uiso 1 1 calc GR . . . .
C171 C -0.2331(4) 0.1952(4) 0.8625(3) 0.072(3) Uani 1 1 d . . . . .
H17D H -0.2675 0.2061 0.8422 0.107 Uiso 1 1 calc GR . . . .
H17E H -0.2388 0.2231 0.8851 0.107 Uiso 1 1 calc GR . . . .
H17F H -0.2383 0.1609 0.8764 0.107 Uiso 1 1 calc GR . . . .
C172 C -0.1586(4) 0.2390(4) 0.8092(3) 0.061(2) Uani 1 1 d . . . . .
H17G H -0.1134 0.2340 0.7927 0.091 Uiso 1 1 calc GR . . . .
H17H H -0.1664 0.2707 0.8283 0.091 Uiso 1 1 calc GR . . . .
H17I H -0.1930 0.2443 0.7887 0.091 Uiso 1 1 calc GR . . . .
C173 C -0.0823(5) 0.1409(4) 0.9887(3) 0.071(3) Uani 1 1 d . . . . .
C174 C -0.0590(6) 0.0797(4) 0.9957(3) 0.086(3) Uani 1 1 d . . . . .
H17J H -0.0829 0.0602 0.9776 0.129 Uiso 1 1 calc GR . . . .
H17K H -0.0695 0.0711 1.0267 0.129 Uiso 1 1 calc GR . . . .
H17L H -0.0100 0.0689 0.9872 0.129 Uiso 1 1 calc GR . . . .
C175 C -0.1583(5) 0.1612(6) 1.0056(3) 0.099(4) Uani 1 1 d . . . . .
H17M H -0.1733 0.1987 0.9965 0.148 Uiso 1 1 calc GR . . . .
H17N H -0.1643 0.1591 1.0378 0.148 Uiso 1 1 calc GR . . . .
H17O H -0.1853 0.1385 0.9934 0.148 Uiso 1 1 calc GR . . . .
C176 C -0.0458(6) 0.1707(4) 1.0153(3) 0.082(3) Uani 1 1 d . . . . .
H17P H -0.0750 0.1842 1.0421 0.123 Uiso 1 1 calc GR . . . .
H17Q H -0.0338 0.2013 0.9983 0.123 Uiso 1 1 calc GR . . . .
H17R H -0.0043 0.1465 1.0230 0.123 Uiso 1 1 calc GR . . . .
C177 C 0.3291(4) 0.0819(2) 0.7873(2) 0.0456(18) Uani 1 1 d . . . . .
C178 C 0.3827(4) 0.0561(3) 0.7679(2) 0.0445(17) Uani 1 1 d . . . . .
C179 C 0.4434(4) 0.0245(3) 0.74834(19) 0.0436(17) Uani 1 1 d . . . . .
C180 C 0.4745(4) -0.0220(3) 0.7692(2) 0.0447(18) Uani 1 1 d . . . . .
H180 H 0.4557 -0.0306 0.7976 0.054 Uiso 1 1 calc R . . . .
C181 C 0.5348(4) -0.0576(3) 0.7486(2) 0.051(2) Uani 1 1 d . . . . .
C182 C 0.5604(4) -0.0416(3) 0.7073(2) 0.055(2) Uani 1 1 d . . . . .
H182 H 0.6012 -0.0632 0.6933 0.066 Uiso 1 1 calc R . . . .
C183 C 0.5295(5) 0.0041(3) 0.6854(2) 0.058(2) Uani 1 1 d . . . . .
C184 C 0.4725(4) 0.0361(3) 0.7057(2) 0.053(2) Uani 1 1 d . . . . .
H184 H 0.4512 0.0674 0.6909 0.064 Uiso 1 1 calc R . . . .
C185 C 0.5681(5) -0.1098(3) 0.7707(3) 0.062(2) Uani 1 1 d . . . . .
C186 C 0.5365(7) -0.1147(4) 0.8171(3) 0.097(4) Uani 1 1 d . . . . .
H18A H 0.5326 -0.0807 0.8328 0.145 Uiso 1 1 calc GR . . . .
H18B H 0.5651 -0.1441 0.8319 0.145 Uiso 1 1 calc GR . . . .
H18C H 0.4913 -0.1226 0.8168 0.145 Uiso 1 1 calc GR . . . .
C187 C 0.6429(5) -0.1137(4) 0.7709(4) 0.087(3) Uani 1 1 d . . . . .
H18D H 0.6635 -0.1080 0.7411 0.130 Uiso 1 1 calc GR . . . .
H18E H 0.6639 -0.1496 0.7812 0.130 Uiso 1 1 calc GR . . . .
H18F H 0.6503 -0.0861 0.7906 0.130 Uiso 1 1 calc GR . . . .
C188 C 0.5599(7) -0.1583(3) 0.7435(3) 0.088(4) Uani 1 1 d . . . . .
H18G H 0.5122 -0.1615 0.7473 0.132 Uiso 1 1 calc GR . . . .
H18H H 0.5883 -0.1916 0.7535 0.132 Uiso 1 1 calc GR . . . .
H18I H 0.5739 -0.1526 0.7124 0.132 Uiso 1 1 calc GR . . . .
C189 C 0.5658(5) 0.0227(4) 0.6403(3) 0.066(3) Uani 0.507(9) 1 d D . P G 1
C190 C 0.5834(8) 0.0784(4) 0.6445(5) 0.076(4) Uani 0.507(9) 1 d D . P G 1
H19A H 0.5419 0.1066 0.6452 0.113 Uiso 0.507(9) 1 calc GR . P G 1
H19B H 0.6154 0.0843 0.6193 0.113 Uiso 0.507(9) 1 calc GR . P G 1
H19C H 0.6040 0.0798 0.6717 0.113 Uiso 0.507(9) 1 calc GR . P G 1
C191 C 0.5123(6) 0.0286(7) 0.6079(4) 0.084(4) Uani 0.507(9) 1 d D . P G 1
H19D H 0.4952 -0.0048 0.6076 0.126 Uiso 0.507(9) 1 calc GR . P G 1
H19E H 0.5330 0.0355 0.5784 0.126 Uiso 0.507(9) 1 calc GR . P G 1
H19F H 0.4746 0.0588 0.6170 0.126 Uiso 0.507(9) 1 calc GR . P G 1
C192 C 0.6318(6) -0.0170(6) 0.6228(6) 0.089(4) Uani 0.507(9) 1 d D . P G 1
H19G H 0.6651 -0.0195 0.6438 0.134 Uiso 0.507(9) 1 calc GR . P G 1
H19H H 0.6500 -0.0040 0.5945 0.134 Uiso 0.507(9) 1 calc GR . P G 1
H19I H 0.6221 -0.0528 0.6188 0.134 Uiso 0.507(9) 1 calc GR . P G 1
C193 C 0.2839(4) 0.2450(3) 0.7917(2) 0.0481(18) Uani 1 1 d . . . . .
C194 C 0.3079(3) 0.2288(3) 0.82831(19) 0.0419(15) Uani 1 1 d . . . . .
C195 C 0.3347(3) 0.2105(3) 0.8676(2) 0.0469(18) Uani 1 1 d . . . . .
C196 C 0.3164(3) 0.2456(3) 0.9051(2) 0.0454(17) Uani 1 1 d . . . . .
H196 H 0.2851 0.2792 0.9039 0.055 Uiso 1 1 calc R . . . .
C197 C 0.3454(4) 0.2293(3) 0.9422(2) 0.0489(18) Uani 1 1 d . . . . .
C198 C 0.3893(4) 0.1790(3) 0.9434(2) 0.0533(19) Uani 1 1 d . . . . .
H198 H 0.4089 0.1688 0.9698 0.064 Uiso 1 1 calc R . . . .
C199 C 0.4062(3) 0.1430(3) 0.9090(2) 0.0455(16) Uani 1 1 d . . . . .
C200 C 0.3792(3) 0.1605(3) 0.8700(2) 0.0464(17) Uani 1 1 d . . . . .
H200 H 0.3913 0.1381 0.8447 0.056 Uiso 1 1 calc R . . . .
C201 C 0.3304(4) 0.2661(3) 0.9833(2) 0.057(2) Uani 1 1 d . . . . .
C202 C 0.2778(5) 0.3177(4) 0.9782(3) 0.078(3) Uani 1 1 d . . . . .
H20A H 0.2706 0.3392 1.0051 0.117 Uiso 1 1 calc GR . . . .
H20B H 0.2349 0.3085 0.9726 0.117 Uiso 1 1 calc GR . . . .
H20C H 0.2939 0.3386 0.9534 0.117 Uiso 1 1 calc GR . . . .
C203 C 0.3963(5) 0.2829(4) 0.9920(3) 0.084(3) Uani 1 1 d . . . . .
H20D H 0.4318 0.2505 0.9950 0.126 Uiso 1 1 calc GR . . . .
H20E H 0.3882 0.3042 1.0191 0.126 Uiso 1 1 calc GR . . . .
H20F H 0.4109 0.3047 0.9674 0.126 Uiso 1 1 calc GR . . . .
C204 C 0.3067(6) 0.2356(4) 1.0231(3) 0.082(3) Uani 1 1 d . . . . .
H20G H 0.3352 0.1991 1.0233 0.124 Uiso 1 1 calc GR . . . .
H20H H 0.2593 0.2332 1.0220 0.124 Uiso 1 1 calc GR . . . .
H20I H 0.3102 0.2548 1.0499 0.124 Uiso 1 1 calc GR . . . .
C205 C 0.4564(4) 0.0883(3) 0.9119(2) 0.0486(18) Uani 1 1 d . . . . .
C206 C 0.4526(6) 0.0509(4) 0.8759(3) 0.102(3) Uani 1 1 d . . . . .
H20J H 0.4701 0.0648 0.8477 0.154 Uiso 1 1 calc GR . . . .
H20K H 0.4053 0.0482 0.8749 0.154 Uiso 1 1 calc GR . . . .
H20L H 0.4800 0.0150 0.8812 0.154 Uiso 1 1 calc GR . . . .
C207 C 0.5283(5) 0.0989(4) 0.9099(4) 0.089(3) Uani 1 1 d . . . . .
H20M H 0.5394 0.1166 0.8821 0.133 Uiso 1 1 calc GR . . . .
H20N H 0.5608 0.0645 0.9120 0.133 Uiso 1 1 calc GR . . . .
H20O H 0.5306 0.1225 0.9344 0.133 Uiso 1 1 calc GR . . . .
C208 C 0.4404(5) 0.0600(4) 0.9561(3) 0.075(3) Uani 1 1 d . . . . .
H20P H 0.4736 0.0258 0.9578 0.112 Uiso 1 1 calc GR . . . .
H20Q H 0.3947 0.0526 0.9579 0.112 Uiso 1 1 calc GR . . . .
H20R H 0.4430 0.0835 0.9805 0.112 Uiso 1 1 calc GR . . . .
C209 C 0.2327(3) 0.3155(2) 0.6809(2) 0.0444(17) Uani 1 1 d . . . . .
C210 C 0.2248(3) 0.3411(3) 0.64703(18) 0.0386(15) Uani 1 1 d . . . . .
C211 C 0.2199(3) 0.3733(2) 0.6071(2) 0.0415(16) Uani 1 1 d . . . . .
C212 C 0.1648(4) 0.4181(3) 0.6064(2) 0.051(2) Uani 1 1 d . . . . .
H212 H 0.1317 0.4259 0.6312 0.061 Uiso 1 1 calc R . . . .
C213 C 0.1593(5) 0.4502(3) 0.5699(3) 0.062(2) Uani 1 1 d . . . . .
C214 C 0.2090(4) 0.4388(3) 0.5347(2) 0.0515(19) Uani 1 1 d . . . . .
H214 H 0.2053 0.4611 0.5094 0.062 Uiso 1 1 calc R . . . .
C215 C 0.2648(4) 0.3952(3) 0.5350(2) 0.0530(19) Uani 1 1 d . . . . .
C216 C 0.2696(3) 0.3617(2) 0.5711(2) 0.0405(16) Uani 1 1 d . . . . .
H216 H 0.3061 0.3313 0.5716 0.049 Uiso 1 1 calc R . . . .
C217 C 0.1021(6) 0.5005(4) 0.5678(3) 0.090(4) Uani 1 1 d . . . . .
C218 C 0.0728(6) 0.5061(5) 0.5249(3) 0.127(4) Uani 1 1 d . . . . .
H21A H 0.1097 0.4995 0.5007 0.191 Uiso 1 1 calc GR . . . .
H21B H 0.0456 0.5427 0.5224 0.191 Uiso 1 1 calc GR . . . .
H21C H 0.0440 0.4798 0.5234 0.191 Uiso 1 1 calc GR . . . .
C219 C 0.1384(5) 0.5512(5) 0.5654(4) 0.105(5) Uani 1 1 d . . . . .
H21D H 0.1368 0.5655 0.5950 0.157 Uiso 1 1 calc DGR . . . .
H21E H 0.1147 0.5794 0.5469 0.157 Uiso 1 1 calc GR . . . .
H21F H 0.1858 0.5396 0.5527 0.157 Uiso 1 1 calc DGR . . . .
C220 C 0.0566(7) 0.5098(5) 0.6075(4) 0.103(4) Uani 1 1 d . . . . .
H22A H 0.0307 0.4812 0.6114 0.155 Uiso 1 1 calc GR . . . .
H22B H 0.0254 0.5449 0.6059 0.155 Uiso 1 1 calc GR . . . .
H22C H 0.0827 0.5097 0.6325 0.155 Uiso 1 1 calc GR . . . .
C221 C 0.3190(4) 0.3866(3) 0.4942(2) 0.0520(19) Uani 1 1 d . . . . .
C222 C 0.3515(4) 0.4353(3) 0.4873(3) 0.070(3) Uani 1 1 d . . . . .
H22D H 0.3175 0.4667 0.4796 0.106 Uiso 1 1 calc GR . . . .
H22E H 0.3888 0.4277 0.4635 0.106 Uiso 1 1 calc GR . . . .
H22F H 0.3691 0.4429 0.5144 0.106 Uiso 1 1 calc GR . . . .
C223 C 0.2856(5) 0.3783(4) 0.4538(3) 0.070(3) Uani 1 1 d . . . . .
H22G H 0.2690 0.3446 0.4568 0.105 Uiso 1 1 calc GR . . . .
H22H H 0.3188 0.3762 0.4277 0.105 Uiso 1 1 calc GR . . . .
H22I H 0.2474 0.4087 0.4509 0.105 Uiso 1 1 calc GR . . . .
C224 C 0.3769(4) 0.3362(3) 0.5002(3) 0.058(2) Uani 1 1 d . . . . .
H22J H 0.4024 0.3431 0.5240 0.086 Uiso 1 1 calc GR . . . .
H22K H 0.4076 0.3293 0.4729 0.086 Uiso 1 1 calc GR . . . .
H22L H 0.3571 0.3046 0.5076 0.086 Uiso 1 1 calc GR . . . .
C225 C 0.0321(3) 0.3732(3) 0.6789(2) 0.0444(17) Uani 1 1 d . . . . .
C226 C 0.0033(4) 0.4151(3) 0.6994(2) 0.0486(18) Uani 1 1 d . . . . .
C227 C -0.0344(3) 0.4640(3) 0.7207(2) 0.0461(18) Uani 1 1 d . . . . .
C228 C -0.0298(4) 0.4727(3) 0.7640(2) 0.0497(18) Uani 1 1 d . . . . .
H228 H -0.0009 0.4466 0.7799 0.060 Uiso 1 1 calc R . . . .
C229 C -0.0668(4) 0.5192(3) 0.7848(2) 0.052(2) Uani 1 1 d . . . . .
C230 C -0.1099(4) 0.5571(3) 0.7606(3) 0.060(2) Uani 1 1 d . . . . .
H230 H -0.1342 0.5898 0.7745 0.072 Uiso 1 1 calc R . . . .
C231 C -0.1178(4) 0.5483(3) 0.7172(3) 0.057(2) Uani 1 1 d . . . . .
C232 C -0.0770(4) 0.5008(3) 0.6962(2) 0.056(2) Uani 1 1 d . . . . .
H232 H -0.0788 0.4943 0.6660 0.067 Uiso 1 1 calc R . . . .
C233 C -0.0622(5) 0.5315(4) 0.8336(3) 0.067(3) Uani 1 1 d . . . . .
C234 C -0.0133(7) 0.4849(4) 0.8529(3) 0.093(4) Uani 1 1 d . . . . .
H23A H -0.0256 0.4506 0.8468 0.140 Uiso 1 1 calc GR . . . .
H23B H -0.0160 0.4898 0.8847 0.140 Uiso 1 1 calc GR . . . .
H23C H 0.0332 0.4843 0.8396 0.140 Uiso 1 1 calc GR . . . .
C235 C -0.0365(8) 0.5830(5) 0.8365(4) 0.121(5) Uani 1 1 d . . . . .
H23D H -0.0208 0.5851 0.8654 0.181 Uiso 1 1 calc GR . . . .
H23E H -0.0732 0.6142 0.8326 0.181 Uiso 1 1 calc GR . . . .
H23F H 0.0013 0.5830 0.8135 0.181 Uiso 1 1 calc GR . . . .
C236 C -0.1322(6) 0.5365(8) 0.8584(4) 0.128(6) Uani 1 1 d . . . . .
H23G H -0.1513 0.5058 0.8512 0.192 Uiso 1 1 calc GR . . . .
H23H H -0.1617 0.5703 0.8501 0.192 Uiso 1 1 calc GR . . . .
H23I H -0.1290 0.5368 0.8900 0.192 Uiso 1 1 calc GR . . . .
C237 C -0.1680(5) 0.5882(4) 0.6922(3) 0.074(3) Uani 1 1 d . . . . .
C238 C -0.1403(6) 0.6414(4) 0.6834(4) 0.096(4) Uani 1 1 d . . . . .
H23J H -0.1286 0.6540 0.7109 0.144 Uiso 1 1 calc GR . . . .
H23K H -0.1752 0.6693 0.6719 0.144 Uiso 1 1 calc GR . . . .
H23L H -0.0997 0.6340 0.6619 0.144 Uiso 1 1 calc GR . . . .
C239 C -0.2328(6) 0.5962(6) 0.7156(4) 0.108(5) Uani 1 1 d . . . . .
H23M H -0.2482 0.5620 0.7175 0.163 Uiso 1 1 calc GR . . . .
H23N H -0.2645 0.6231 0.7004 0.163 Uiso 1 1 calc GR . . . .
H23O H -0.2312 0.6092 0.7452 0.163 Uiso 1 1 calc GR . . . .
C240 C -0.1678(7) 0.5702(6) 0.6448(4) 0.130(5) Uani 1 1 d . . . . .
H24A H -0.1228 0.5689 0.6287 0.195 Uiso 1 1 calc GR . . . .
H24B H -0.2019 0.5961 0.6305 0.195 Uiso 1 1 calc GR . . . .
H24C H -0.1785 0.5343 0.6448 0.195 Uiso 1 1 calc GR . . . .
C241 C 0.1001(3) 0.2312(3) 0.6203(2) 0.0465(17) Uani 1 1 d . . . . .
C242 C 0.1065(3) 0.1861(3) 0.6032(2) 0.0483(18) Uani 1 1 d . . . . .
C243 C 0.1106(3) 0.1376(3) 0.5811(2) 0.0497(17) Uani 1 1 d . . . . .
C244 C 0.1124(5) 0.1362(3) 0.5349(2) 0.069(2) Uani 1 1 d . . . . .
H244 H 0.1128 0.1687 0.5188 0.083 Uiso 1 1 calc R . . . .
C245 C 0.1135(5) 0.0897(4) 0.5124(3) 0.076(3) Uani 1 1 d . . . . .
C246 C 0.1137(4) 0.0427(3) 0.5356(3) 0.070(2) Uani 1 1 d . . . . .
H246 H 0.1159 0.0102 0.5200 0.084 Uiso 1 1 calc R . . . .
C247 C 0.1108(4) 0.0407(3) 0.5823(2) 0.0534(19) Uani 1 1 d . . . . .
C248 C 0.1122(4) 0.0886(3) 0.6043(2) 0.0529(18) Uani 1 1 d . . . . .
H248 H 0.1144 0.0880 0.6350 0.064 Uiso 1 1 calc R . . . .
C249 C 0.1244(5) 0.0875(4) 0.4613(4) 0.116(3) Uani 0.535(11) 1 d D U P H 1
C250 C 0.1900(6) 0.0497(7) 0.4414(6) 0.133(5) Uani 0.535(11) 1 d D U P H 1
H25A H 0.2292 0.0630 0.4490 0.199 Uiso 0.535(11) 1 calc GR . P H 1
H25B H 0.1909 0.0489 0.4094 0.199 Uiso 0.535(11) 1 calc GR . P H 1
H25C H 0.1917 0.0132 0.4532 0.199 Uiso 0.535(11) 1 calc GR . P H 1
C251 C 0.1229(11) 0.1434(4) 0.4403(5) 0.117(4) Uani 0.535(11) 1 d D U P H 1
H25D H 0.0782 0.1669 0.4481 0.175 Uiso 0.535(11) 1 calc GR . P H 1
H25E H 0.1318 0.1396 0.4083 0.175 Uiso 0.535(11) 1 calc GR . P H 1
H25F H 0.1579 0.1595 0.4511 0.175 Uiso 0.535(11) 1 calc GR . P H 1
C252 C 0.0638(5) 0.0661(6) 0.4490(5) 0.118(4) Uani 0.535(11) 1 d D U P H 1
H25G H 0.0641 0.0306 0.4626 0.177 Uiso 0.535(11) 1 calc GR . P H 1
H25H H 0.0671 0.0626 0.4170 0.177 Uiso 0.535(11) 1 calc GR . P H 1
H25I H 0.0215 0.0913 0.4596 0.177 Uiso 0.535(11) 1 calc GR . P H 1
C253 C 0.1069(6) -0.0100(5) 0.6094(4) 0.062(2) Uani 0.672(9) 1 d . . P I 1
C254 C 0.1624(6) -0.0217(5) 0.6395(4) 0.075(4) Uani 0.672(9) 1 d D . P I 1
H25J H 0.2065 -0.0336 0.6220 0.112 Uiso 0.672(9) 1 calc GR . P I 1
H25K H 0.1542 -0.0502 0.6603 0.112 Uiso 0.672(9) 1 calc GR . P I 1
H25L H 0.1626 0.0112 0.6558 0.112 Uiso 0.672(9) 1 calc GR . P I 1
C255 C 0.1146(7) -0.0603(5) 0.5799(5) 0.083(4) Uani 0.672(9) 1 d D . P I 1
H25M H 0.0797 -0.0535 0.5598 0.125 Uiso 0.672(9) 1 calc GR . P I 1
H25N H 0.1095 -0.0916 0.5983 0.125 Uiso 0.672(9) 1 calc GR . P I 1
H25O H 0.1597 -0.0675 0.5630 0.125 Uiso 0.672(9) 1 calc GR . P I 1
C256 C 0.0372(7) -0.0005(6) 0.6372(5) 0.090(4) Uani 0.672(9) 1 d D . P I 1
H25P H 0.0307 0.0325 0.6546 0.135 Uiso 0.672(9) 1 calc GR . P I 1
H25Q H 0.0351 -0.0314 0.6568 0.135 Uiso 0.672(9) 1 calc GR . P I 1
H25R H 0.0013 0.0034 0.6178 0.135 Uiso 0.672(9) 1 calc GR . P I 1
C347 C 0.0995(5) 0.0924(4) 0.4630(5) 0.116(3) Uani 0.465(11) 1 d D . P H 2
C348 C 0.0302(6) 0.1291(7) 0.4576(6) 0.118(4) Uani 0.465(11) 1 d D . P H 2
H34A H -0.0038 0.1069 0.4570 0.177 Uiso 0.465(11) 1 calc DGR . P H 2
H34B H 0.0334 0.1492 0.4300 0.177 Uiso 0.465(11) 1 calc GR . P H 2
H34C H 0.0169 0.1546 0.4822 0.177 Uiso 0.465(11) 1 calc GR . P H 2
C349 C 0.1060(12) 0.0358(4) 0.4444(6) 0.133(5) Uani 0.465(11) 1 d D . P H 2
H34D H 0.1505 0.0135 0.4489 0.199 Uiso 0.465(11) 1 calc GR . P H 2
H34E H 0.1015 0.0383 0.4129 0.199 Uiso 0.465(11) 1 calc GR . P H 2
H34F H 0.0702 0.0191 0.4593 0.199 Uiso 0.465(11) 1 calc GR . P H 2
C350 C 0.1563(6) 0.1179(6) 0.4396(6) 0.117(4) Uani 0.465(11) 1 d D . P H 2
H35A H 0.1579 0.1510 0.4550 0.175 Uiso 0.465(11) 1 calc GR . P H 2
H35B H 0.1474 0.1265 0.4093 0.175 Uiso 0.465(11) 1 calc GR . P H 2
H35C H 0.2000 0.0923 0.4397 0.175 Uiso 0.465(11) 1 calc GR . P H 2
C351 C 0.0609(8) 0.3388(8) 0.5206(4) 0.087(4) Uani 0.532(9) 1 d D . P F 2
H35D H 0.0305 0.3739 0.5172 0.131 Uiso 0.532(9) 1 calc GR . P F 2
H35E H 0.0954 0.3429 0.5394 0.131 Uiso 0.532(9) 1 calc GR . P F 2
H35F H 0.0346 0.3132 0.5342 0.131 Uiso 0.532(9) 1 calc GR . P F 2
C352 C 0.0582(7) 0.2937(7) 0.4427(5) 0.094(5) Uani 0.532(9) 1 d D . P F 2
H35G H 0.0379 0.2649 0.4569 0.141 Uiso 0.532(9) 1 calc GR . P F 2
H35H H 0.0904 0.2788 0.4174 0.141 Uiso 0.532(9) 1 calc GR . P F 2
H35I H 0.0223 0.3222 0.4328 0.141 Uiso 0.532(9) 1 calc GR . P F 2
C353 C 0.1061(8) 0.3720(4) 0.4564(6) 0.072(3) Uani 0.532(9) 1 d D . P F 2
H35J H 0.0678 0.4007 0.4676 0.107 Uiso 0.532(9) 1 calc GR . P F 2
H35K H 0.1089 0.3705 0.4243 0.107 Uiso 0.532(9) 1 calc GR . P F 2
H35L H 0.1483 0.3795 0.4649 0.107 Uiso 0.532(9) 1 calc GR . P F 2
C354 C 0.3056(7) 0.5240(4) 0.6296(4) 0.093(4) Uani 0.174(11) 1 d D . P D 2
C355 C 0.2859(6) 0.5424(9) 0.5843(4) 0.104(5) Uani 0.174(11) 1 d D . P D 2
H35M H 0.2852 0.5108 0.5666 0.156 Uiso 0.174(11) 1 calc DGR . P D 2
H35N H 0.3190 0.5621 0.5698 0.156 Uiso 0.174(11) 1 calc GR . P D 2
H35O H 0.2407 0.5662 0.5874 0.156 Uiso 0.174(11) 1 calc DGR . P D 2
C356 C 0.3497(13) 0.4668(5) 0.6269(12) 0.092(4) Uani 0.174(11) 1 d D . P D 2
H35P H 0.3544 0.4525 0.6566 0.137 Uiso 0.174(11) 1 calc GR . P D 2
H35Q H 0.3946 0.4678 0.6117 0.137 Uiso 0.174(11) 1 calc GR . P D 2
H35R H 0.3282 0.4435 0.6106 0.137 Uiso 0.174(11) 1 calc GR . P D 2
C357 C 0.3436(8) 0.5641(5) 0.6469(7) 0.115(7) Uani 0.174(11) 1 d D . P D 2
H35S H 0.3112 0.5976 0.6560 0.173 Uiso 0.174(11) 1 calc GR . P D 2
H35T H 0.3775 0.5720 0.6237 0.173 Uiso 0.174(11) 1 calc GR . P D 2
H35U H 0.3663 0.5482 0.6721 0.173 Uiso 0.174(11) 1 calc GR . P D 2
C358 C 0.1229(13) -0.0163(11) 0.6027(9) 0.062(2) Uani 0.328(9) 1 d . . P I 2
C359 C 0.1804(10) -0.0564(10) 0.5819(8) 0.083(4) Uani 0.328(9) 1 d D . P I 2
H35V H 0.1757 -0.0594 0.5507 0.125 Uiso 0.328(9) 1 calc GR . P I 2
H35W H 0.1810 -0.0916 0.5961 0.125 Uiso 0.328(9) 1 calc GR . P I 2
H35X H 0.2228 -0.0450 0.5851 0.125 Uiso 0.328(9) 1 calc GR . P I 2
C360 C 0.0524(9) -0.0319(12) 0.5987(8) 0.090(4) Uani 0.328(9) 1 d D . P I 2
H36A H 0.0156 -0.0004 0.6060 0.135 Uiso 0.328(9) 1 calc GR . P I 2
H36B H 0.0466 -0.0614 0.6191 0.135 Uiso 0.328(9) 1 calc GR . P I 2
H36C H 0.0513 -0.0436 0.5686 0.135 Uiso 0.328(9) 1 calc GR . P I 2
C361 C 0.1251(12) -0.0071(9) 0.6524(6) 0.075(4) Uani 0.328(9) 1 d D . P I 2
H36D H 0.1509 0.0209 0.6560 0.112 Uiso 0.328(9) 1 calc GR . P I 2
H36E H 0.1472 -0.0409 0.6656 0.112 Uiso 0.328(9) 1 calc GR . P I 2
H36F H 0.0788 0.0045 0.6668 0.112 Uiso 0.328(9) 1 calc GR . P I 2
C362 C 0.3917(16) -0.0253(10) 0.5131(7) 0.090(5) Uani 0.410(9) 1 d . . P E 2
H36G H 0.4309 -0.0374 0.5295 0.135 Uiso 0.410(9) 1 calc GR . P E 2
H36H H 0.4075 -0.0164 0.4830 0.135 Uiso 0.410(9) 1 calc GR . P E 2
H36I H 0.3665 -0.0542 0.5127 0.135 Uiso 0.410(9) 1 calc GR . P E 2
C363 C 0.3974(12) 0.0698(11) 0.5280(7) 0.088(5) Uani 0.410(9) 1 d . . P E 2
H36J H 0.3694 0.1064 0.5264 0.133 Uiso 0.410(9) 1 calc GR . P E 2
H36K H 0.4280 0.0617 0.5007 0.133 Uiso 0.410(9) 1 calc GR . P E 2
H36L H 0.4241 0.0677 0.5529 0.133 Uiso 0.410(9) 1 calc GR . P E 2
C364 C 0.2854(10) 0.0603(9) 0.5151(6) 0.063(3) Uani 0.410(9) 1 d . . P E 2
H36M H 0.2439 0.0472 0.5246 0.094 Uiso 0.410(9) 1 calc GR . P E 2
H36N H 0.2941 0.0590 0.4830 0.094 Uiso 0.410(9) 1 calc GR . P E 2
H36O H 0.2798 0.0977 0.5251 0.094 Uiso 0.410(9) 1 calc GR . P E 2
C365 C 0.5546(5) 0.0137(4) 0.6381(4) 0.066(3) Uani 0.493(9) 1 d D U P G 2
C366 C 0.5096(8) 0.0641(5) 0.6198(5) 0.084(4) Uani 0.493(9) 1 d D U P G 2
H36P H 0.4617 0.0630 0.6278 0.126 Uiso 0.493(9) 1 calc GR . P G 2
H36Q H 0.5193 0.0646 0.5878 0.126 Uiso 0.493(9) 1 calc GR . P G 2
H36R H 0.5191 0.0966 0.6322 0.126 Uiso 0.493(9) 1 calc GR . P G 2
C367 C 0.5528(9) -0.0343(4) 0.6079(4) 0.076(4) Uani 0.493(9) 1 d D U P G 2
H36S H 0.5836 -0.0669 0.6170 0.113 Uiso 0.493(9) 1 calc GR . P G 2
H36T H 0.5670 -0.0256 0.5774 0.113 Uiso 0.493(9) 1 calc GR . P G 2
H36U H 0.5065 -0.0406 0.6103 0.113 Uiso 0.493(9) 1 calc GR . P G 2
C368 C 0.6298(5) 0.0168(7) 0.6354(6) 0.089(4) Uani 0.493(9) 1 d D U P G 2
H36V H 0.6341 0.0482 0.6521 0.134 Uiso 0.493(9) 1 calc GR . P G 2
H36W H 0.6477 0.0203 0.6046 0.134 Uiso 0.493(9) 1 calc GR . P G 2
H36X H 0.6555 -0.0162 0.6478 0.134 Uiso 0.493(9) 1 calc GR . P G 2
C369 C 0.5468(5) 0.2005(6) 0.5204(3) 0.065(3) Uani 0.454(10) 1 d D . P C 2
C370 C 0.5827(9) 0.2004(9) 0.4735(4) 0.095(5) Uani 0.454(10) 1 d D . P C 2
H37A H 0.5548 0.2268 0.4557 0.142 Uiso 0.454(10) 1 calc GR . P C 2
H37B H 0.5895 0.1644 0.4606 0.142 Uiso 0.454(10) 1 calc GR . P C 2
H37C H 0.6269 0.2101 0.4743 0.142 Uiso 0.454(10) 1 calc GR . P C 2
C371 C 0.4778(5) 0.1857(6) 0.5184(7) 0.089(4) Uani 0.454(10) 1 d D . P C 2
H37D H 0.4542 0.1857 0.5482 0.134 Uiso 0.454(10) 1 calc GR . P C 2
H37E H 0.4846 0.1497 0.5054 0.134 Uiso 0.454(10) 1 calc GR . P C 2
H37F H 0.4504 0.2123 0.5005 0.134 Uiso 0.454(10) 1 calc GR . P C 2
C372 C 0.5899(7) 0.1620(7) 0.5502(4) 0.095(6) Uani 0.454(10) 1 d D . P C 2
H37G H 0.6027 0.1828 0.5732 0.142 Uiso 0.454(10) 1 calc GR . P C 2
H37H H 0.6310 0.1422 0.5328 0.142 Uiso 0.454(10) 1 calc GR . P C 2
H37I H 0.5637 0.1363 0.5637 0.142 Uiso 0.454(10) 1 calc GR . P C 2
Cl3 Cl 0.1637(2) 0.72325(19) 0.90896(17) 0.1476(17) Uani 1 1 d . U . . .
C319 C 0.1480(4) 0.6521(3) 0.8473(3) 0.139(2) Uani 1 1 d . U . . .
H319 H 0.1158 0.6807 0.8364 0.166 Uiso 1 1 calc R . . . .
C320 C 0.1799(5) 0.6607(4) 0.8834(3) 0.138(2) Uani 1 1 d G U . . .
C321 C 0.2271(6) 0.6189(5) 0.8994(4) 0.137(2) Uani 1 1 d G U . . .
H321 H 0.2489 0.6249 0.9241 0.164 Uiso 1 1 calc R . . . .
C322 C 0.2424(5) 0.5685(4) 0.8793(4) 0.136(2) Uani 1 1 d G U . . .
C317 C 0.2105(6) 0.5598(3) 0.8432(4) 0.138(2) Uani 1 1 d G U . . .
H31D H 0.2465 0.5474 0.8187 0.166 Uiso 1 1 calc R . . . .
H31E H 0.1874 0.5294 0.8505 0.166 Uiso 1 1 calc R . . . .
C318 C 0.1633(5) 0.6016(3) 0.8272(3) 0.142(3) Uani 1 1 d G U . . .
H318 H 0.1415 0.5957 0.8025 0.170 Uiso 1 1 calc R . . . .
Cl7 Cl -0.2797(3) 0.6323(3) 0.90225(18) 0.179(2) Uani 1 1 d . U . . .
C308 C -0.3373(4) 0.6493(4) 0.8673(3) 0.163(2) Uani 1 1 d . U . . .
C309 C -0.3337(6) 0.6127(4) 0.8336(4) 0.161(3) Uani 1 1 d G U . . .
H309 H -0.3018 0.5792 0.8328 0.193 Uiso 1 1 calc R . . . .
C310 C -0.3767(7) 0.6250(6) 0.8010(4) 0.163(3) Uani 1 1 d G U . . .
H310 H -0.3743 0.5999 0.7780 0.196 Uiso 1 1 calc R . . . .
C305 C -0.4234(6) 0.6740(6) 0.8021(4) 0.164(3) Uani 1 1 d G U . . .
H305 H -0.4528 0.6824 0.7798 0.197 Uiso 1 1 calc R . . . .
C306 C -0.4271(6) 0.7107(5) 0.8358(5) 0.162(3) Uani 1 1 d G U . . .
H306 H -0.4590 0.7442 0.8366 0.195 Uiso 1 1 calc R . . . .
C307 C -0.3840(5) 0.6983(4) 0.8684(4) 0.161(3) Uani 1 1 d G U . . .
H307 H -0.3865 0.7234 0.8914 0.194 Uiso 1 1 calc R . . . .
Cl0A Cl 0.4187(3) 0.7726(3) 0.7896(3) 0.195(3) Uani 0.713(7) 1 d D U P J 1
C323 C 0.3778(4) 0.7261(3) 0.7706(5) 0.190(2) Uani 0.713(7) 1 d D U P J 1
C328 C 0.3448(6) 0.6944(5) 0.7994(5) 0.191(3) Uani 0.713(7) 1 d DG U P J 1
H328 H 0.3443 0.6981 0.8302 0.229 Uiso 0.713(7) 1 calc R . P J 1
C327 C 0.3123(7) 0.6571(5) 0.7831(8) 0.192(3) Uani 0.713(7) 1 d G U P J 1
H327 H 0.2897 0.6354 0.8028 0.230 Uiso 0.713(7) 1 calc R . P J 1
C326 C 0.3130(8) 0.6516(6) 0.7381(8) 0.189(3) Uani 0.713(7) 1 d G U P J 1
H326 H 0.2908 0.6261 0.7269 0.227 Uiso 0.713(7) 1 calc R . P J 1
C325 C 0.3460(10) 0.6833(7) 0.7093(6) 0.188(3) Uani 0.713(7) 1 d G U P J 1
H325 H 0.3465 0.6795 0.6785 0.225 Uiso 0.713(7) 1 calc R . P J 1
C324 C 0.3785(7) 0.7205(6) 0.7256(5) 0.188(3) Uani 0.713(7) 1 d DG U P J 1
H324 H 0.4011 0.7422 0.7059 0.225 Uiso 0.713(7) 1 calc R . P J 1
Cl5 Cl -0.2040(2) -0.07034(18) 0.68396(14) 0.1411(14) Uani 1 1 d . U . . .
C281 C -0.1505(4) -0.0422(3) 0.7096(2) 0.127(2) Uani 1 1 d . U . . .
C282 C -0.1337(4) 0.0060(4) 0.6946(3) 0.134(2) Uani 1 1 d G U . . .
H282 H -0.1511 0.0229 0.6692 0.160 Uiso 1 1 calc R . . . .
C283 C -0.0912(5) 0.0295(4) 0.7169(4) 0.135(2) Uani 1 1 d G U . . .
H283 H -0.0797 0.0624 0.7066 0.162 Uiso 1 1 calc R . . . .
C284 C -0.0657(5) 0.0048(5) 0.7541(4) 0.135(2) Uani 1 1 d G U . . .
H284 H -0.0367 0.0208 0.7693 0.162 Uiso 1 1 calc R . . . .
C285 C -0.0825(5) -0.0434(5) 0.7691(3) 0.134(2) Uani 1 1 d G U . . .
H285 H -0.0651 -0.0603 0.7946 0.160 Uiso 1 1 calc R . . . .
C286 C -0.1250(4) -0.0669(4) 0.7469(3) 0.134(2) Uani 1 1 d G U . . .
H286 H -0.1365 -0.0999 0.7572 0.161 Uiso 1 1 calc R . . . .
Cl0B Cl 0.4567(5) 0.7416(5) 0.7097(5) 0.195(3) Uani 0.287(7) 1 d D . P J 2
C329 C 0.3968(5) 0.7130(5) 0.7413(6) 0.190(2) Uani 0.287(7) 1 d D . P J 2
C334 C 0.3796(10) 0.7267(10) 0.7854(6) 0.191(3) Uani 0.287(7) 1 d DG . P J 2
H334 H 0.4006 0.7518 0.7982 0.229 Uiso 0.287(7) 1 calc R . P J 2
C333 C 0.3316(12) 0.7038(14) 0.8108(7) 0.192(3) Uani 0.287(7) 1 d G . P J 2
H333 H 0.3199 0.7132 0.8410 0.230 Uiso 0.287(7) 1 calc R . P J 2
C332 C 0.3009(11) 0.6671(12) 0.7921(11) 0.189(3) Uani 0.287(7) 1 d G . P J 2
H332 H 0.2682 0.6515 0.8094 0.227 Uiso 0.287(7) 1 calc R . P J 2
C331 C 0.3182(10) 0.6534(8) 0.7480(12) 0.188(3) Uani 0.287(7) 1 d G . P J 2
H331 H 0.2972 0.6283 0.7352 0.225 Uiso 0.287(7) 1 calc R . P J 2
C330 C 0.3661(8) 0.6763(7) 0.7226(8) 0.188(3) Uani 0.287(7) 1 d DG . P J 2
H330 H 0.3779 0.6669 0.6925 0.225 Uiso 0.287(7) 1 calc R . P J 2
Cl9 Cl 0.6118(3) 0.4820(3) 0.8763(2) 0.195(3) Uani 1 1 d . U . . .
C287 C 0.5383(5) 0.4985(4) 0.8511(3) 0.174(2) Uani 1 1 d . U . . .
C288 C 0.5239(6) 0.4580(4) 0.8263(4) 0.168(3) Uani 1 1 d G U . . .
H288 H 0.5556 0.4246 0.8219 0.202 Uiso 1 1 calc R . . . .
C289 C 0.4631(7) 0.4665(6) 0.8078(4) 0.168(3) Uani 1 1 d G U . . .
H289 H 0.4532 0.4388 0.7908 0.201 Uiso 1 1 calc R . . . .
C290 C 0.4167(6) 0.5154(7) 0.8142(4) 0.172(3) Uani 1 1 d G U . . .
H290 H 0.3751 0.5212 0.8016 0.207 Uiso 1 1 calc R . . . .
C291 C 0.4311(6) 0.5559(5) 0.8391(5) 0.178(3) Uani 1 1 d G U . . .
H291 H 0.3994 0.5894 0.8434 0.213 Uiso 1 1 calc R . . . .
C292 C 0.4919(6) 0.5475(4) 0.8575(4) 0.175(3) Uani 1 1 d G U . . .
H292 H 0.5017 0.5752 0.8745 0.210 Uiso 1 1 calc R . . . .
Cl1 Cl -0.17330(15) 0.03067(12) 0.90285(11) 0.0968(9) Uani 1 1 d . . . . .
C275 C -0.0877(5) -0.0045(4) 0.8889(3) 0.079(3) Uani 1 1 d . . . . .
C276 C -0.0406(5) 0.0262(4) 0.8804(4) 0.082(3) Uani 1 1 d . . . . .
H276 H -0.0521 0.0645 0.8812 0.099 Uiso 1 1 calc R . . . .
C277 C 0.0272(5) -0.0031(4) 0.8704(3) 0.078(3) Uani 1 1 d . . . . .
H277 H 0.0625 0.0163 0.8646 0.093 Uiso 1 1 calc R . . . .
C278 C 0.0434(6) -0.0592(5) 0.8688(4) 0.092(3) Uani 1 1 d . . . . .
H278 H 0.0888 -0.0783 0.8613 0.110 Uiso 1 1 calc R . . . .
C279 C -0.0064(6) -0.0849(4) 0.8780(4) 0.089(3) Uani 1 1 d . . . . .
H279 H 0.0048 -0.1233 0.8776 0.107 Uiso 1 1 calc R . . . .
C280 C -0.0749(6) -0.0597(4) 0.8883(3) 0.086(3) Uani 1 1 d . . . . .
H280 H -0.1097 -0.0795 0.8945 0.103 Uiso 1 1 calc R . . . .
Cl4 Cl 0.5002(3) -0.1822(2) 0.92602(15) 0.1463(17) Uani 1 1 d . U . . .
C269 C 0.4360(7) -0.1461(6) 0.9664(4) 0.105(2) Uani 1 1 d . U . . .
C270 C 0.4184(6) -0.0943(5) 0.9657(4) 0.105(2) Uani 1 1 d . U . . .
H270 H 0.4415 -0.0738 0.9452 0.126 Uiso 1 1 calc R . . . .
C271 C 0.3676(7) -0.0699(6) 0.9939(4) 0.109(2) Uani 1 1 d . U . . .
H271 H 0.3570 -0.0315 0.9942 0.130 Uiso 1 1 calc R . . . .
C272 C 0.3303(7) -0.0958(6) 1.0219(5) 0.116(2) Uani 1 1 d . U . . .
H272 H 0.2932 -0.0772 1.0413 0.140 Uiso 1 1 calc R . . . .
C273 C 0.3501(7) -0.1535(6) 1.0207(4) 0.112(2) Uani 1 1 d . U . . .
H273 H 0.3261 -0.1741 1.0404 0.134 Uiso 1 1 calc R . . . .
C274 C 0.4021(6) -0.1792(5) 0.9922(4) 0.101(2) Uani 1 1 d . U . . .
H274 H 0.4144 -0.2175 0.9900 0.121 Uiso 1 1 calc R . . . .
Cl1A Cl -0.3047(5) 0.2744(4) 0.4014(3) 0.152(3) Uiso 0.5 1 d D U P . .
C313 C -0.1140(7) 0.2042(6) 0.3934(5) 0.140(4) Uiso 0.5 1 d . U P . .
H313 H -0.0844 0.1737 0.3793 0.168 Uiso 0.5 1 calc R . P . .
C312 C -0.1824(7) 0.2160(7) 0.3873(6) 0.127(4) Uiso 0.5 1 d DG U P . .
H312 H -0.1995 0.1936 0.3689 0.153 Uiso 0.5 1 calc R . P . .
C311 C -0.2257(7) 0.2606(8) 0.4080(7) 0.125(4) Uiso 0.5 1 d G U P . .
C316 C -0.2006(10) 0.2934(7) 0.4348(7) 0.118(4) Uiso 0.5 1 d G U P . .
H316 H -0.2302 0.3239 0.4490 0.142 Uiso 0.5 1 calc R . P . .
C315 C -0.1322(11) 0.2816(7) 0.4410(6) 0.122(4) Uiso 0.5 1 d G U P . .
H315 H -0.1151 0.3040 0.4593 0.146 Uiso 0.5 1 calc R . P . .
C314 C -0.0889(8) 0.2370(7) 0.4203(6) 0.137(4) Uiso 0.5 1 d G U P . .
H314 H -0.0422 0.2289 0.4245 0.164 Uiso 0.5 1 calc R . P . .
Cl6 Cl -0.0586(3) 0.7870(2) 0.7533(2) 0.176(2) Uani 1 1 d . U . . .
C299 C -0.1299(4) 0.7611(3) 0.7605(3) 0.149(2) Uani 1 1 d D U . . .
C300 C -0.1366(5) 0.7247(4) 0.7946(3) 0.147(2) Uani 1 1 d DG U . . .
H300 H -0.1000 0.7122 0.8114 0.176 Uiso 1 1 calc R . . . .
C301 C -0.1969(6) 0.7068(4) 0.8040(4) 0.148(3) Uani 1 1 d G U . . .
H301 H -0.2014 0.6820 0.8273 0.178 Uiso 1 1 calc R . . . .
C302 C -0.2505(5) 0.7252(5) 0.7793(5) 0.151(3) Uani 1 1 d G U . . .
H302 H -0.2917 0.7129 0.7857 0.181 Uiso 1 1 calc R . . . .
C303 C -0.2438(5) 0.7615(5) 0.7452(4) 0.151(3) Uani 1 1 d G U . . .
H303 H -0.2804 0.7741 0.7283 0.182 Uiso 1 1 calc R . . . .
C304 C -0.1835(5) 0.7794(4) 0.7358(3) 0.149(2) Uani 1 1 d G U . . .
H304 H -0.1789 0.8042 0.7125 0.178 Uiso 1 1 calc R . . . .
Cl2 Cl 0.40739(19) 0.06351(18) 1.07462(11) 0.1206(13) Uani 1 1 d . . . . .
C263 C 0.3333(3) 0.0917(2) 1.10777(15) 0.095(4) Uani 1 1 d . . . . .
C268 C 0.2939(3) 0.0558(2) 1.1251(2) 0.091(3) Uani 1 1 d G . . . .
H268 H 0.3092 0.0181 1.1197 0.109 Uiso 1 1 calc R . . . .
C267 C 0.2322(3) 0.0750(4) 1.1501(2) 0.105(4) Uani 1 1 d G . . . .
H267 H 0.2053 0.0505 1.1620 0.126 Uiso 1 1 calc R . . . .
C266 C 0.2098(3) 0.1301(4) 1.1579(2) 0.100(4) Uani 1 1 d G . . . .
H266 H 0.1676 0.1433 1.1751 0.120 Uiso 1 1 calc R . . . .
C265 C 0.2491(4) 0.1661(3) 1.1406(3) 0.124(5) Uani 1 1 d G . . . .
H265 H 0.2338 0.2038 1.1460 0.149 Uiso 1 1 calc R . . . .
C264 C 0.3108(4) 0.1469(2) 1.1156(2) 0.107(4) Uani 1 1 d G . . . .
H264 H 0.3377 0.1714 1.1037 0.128 Uiso 1 1 calc R . . . .
Cl8 Cl 0.6580(3) 0.3344(2) 0.93899(18) 0.1777(18) Uani 1 1 d . U . . .
C258 C 0.6787(4) 0.2983(3) 1.0204(3) 0.150(2) Uani 1 1 d . U . . .
H258 H 0.7254 0.2872 1.0097 0.180 Uiso 1 1 calc R . . . .
C257 C 0.6323(5) 0.3229(4) 0.9923(3) 0.149(2) Uani 1 1 d G U . . .
C262 C 0.5640(5) 0.3392(4) 1.0080(5) 0.148(2) Uani 1 1 d G U . . .
H262 H 0.5323 0.3559 0.9888 0.177 Uiso 1 1 calc R . . . .
C261 C 0.5421(4) 0.3309(5) 1.0518(5) 0.153(2) Uani 1 1 d G U . . .
H261 H 0.4955 0.3420 1.0625 0.184 Uiso 1 1 calc R . . . .
C260 C 0.5885(6) 0.3063(5) 1.0799(4) 0.158(3) Uani 1 1 d G U . . .
H260 H 0.5736 0.3007 1.1098 0.189 Uiso 1 1 calc R . . . .
C259 C 0.6568(5) 0.2900(4) 1.0642(3) 0.153(2) Uani 1 1 d G U . . .
H259 H 0.6886 0.2733 1.0834 0.183 Uiso 1 1 calc R . . . .
Cl2A Cl -0.2465(4) 0.1012(3) 0.6149(3) 0.159(3) Uani 0.584(6) 1 d D . P K 1
C335 C -0.1813(5) 0.1276(4) 0.5882(5) 0.185(2) Uani 0.584(6) 1 d D . P K 1
C340 C -0.1319(7) 0.1387(6) 0.6123(6) 0.189(3) Uani 0.584(6) 1 d DG . P K 1
H340 H -0.1343 0.1315 0.6429 0.226 Uiso 0.584(6) 1 calc R . P K 1
C339 C -0.0788(7) 0.1602(7) 0.5916(9) 0.191(3) Uani 0.584(6) 1 d G . P K 1
H339 H -0.0450 0.1677 0.6081 0.230 Uiso 0.584(6) 1 calc R . P K 1
C338 C -0.0753(9) 0.1707(7) 0.5468(10) 0.192(3) Uani 0.584(6) 1 d G . P K 1
H338 H -0.0390 0.1854 0.5326 0.230 Uiso 0.584(6) 1 calc R . P K 1
C337 C -0.1247(12) 0.1596(8) 0.5227(7) 0.191(3) Uani 0.584(6) 1 d G . P K 1
H337 H -0.1223 0.1668 0.4921 0.229 Uiso 0.584(6) 1 calc R . P K 1
C336 C -0.1778(9) 0.1381(6) 0.5434(5) 0.190(3) Uani 0.584(6) 1 d DG . P K 1
H336 H -0.2116 0.1305 0.5269 0.228 Uiso 0.584(6) 1 calc R . P K 1
Cl2B Cl -0.2396(4) 0.0873(4) 0.5441(3) 0.159(3) Uani 0.416(6) 1 d D U P K 2
C341 C -0.1794(5) 0.1230(5) 0.5556(4) 0.185(2) Uani 0.416(6) 1 d D U P K 2
C342 C -0.1177(6) 0.0962(8) 0.5687(5) 0.189(3) Uani 0.416(6) 1 d DG U P K 2
H342 H -0.1082 0.0580 0.5716 0.226 Uiso 0.416(6) 1 calc R . P K 2
C343 C -0.0700(7) 0.1254(13) 0.5777(7) 0.191(3) Uani 0.416(6) 1 d G U P K 2
H343 H -0.0278 0.1071 0.5867 0.230 Uiso 0.416(6) 1 calc R . P K 2
C344 C -0.0839(13) 0.1813(12) 0.5734(8) 0.192(3) Uani 0.416(6) 1 d G U P K 2
H344 H -0.0513 0.2013 0.5795 0.230 Uiso 0.416(6) 1 calc R . P K 2
C345 C -0.1456(15) 0.2081(8) 0.5602(9) 0.191(3) Uani 0.416(6) 1 d G U P K 2
H345 H -0.1551 0.2464 0.5573 0.229 Uiso 0.416(6) 1 calc R . P K 2
C346 C -0.1933(10) 0.1790(5) 0.5513(7) 0.190(3) Uani 0.416(6) 1 d DG U P K 2
H346 H -0.2354 0.1973 0.5423 0.228 Uiso 0.416(6) 1 calc R . P K 2
Cl10 Cl 0.5233(4) 0.6411(3) 0.6236(2) 0.123(2) Uani 0.5 1 d . U P . .
C293 C 0.5537(5) 0.5854(5) 0.6576(4) 0.102(2) Uani 0.5 1 d . U P . .
C294 C 0.6034(6) 0.5406(5) 0.6431(4) 0.102(3) Uani 0.5 1 d G U P . .
H294 H 0.6246 0.5392 0.6138 0.122 Uiso 0.5 1 calc R . P . .
C295 C 0.6220(7) 0.4979(5) 0.6716(6) 0.101(3) Uani 0.5 1 d G U P . .
H295 H 0.6559 0.4673 0.6616 0.121 Uiso 0.5 1 calc R . P . .
C296 C 0.5909(9) 0.5000(6) 0.7145(5) 0.099(3) Uani 0.5 1 d G U P . .
H296 H 0.6036 0.4708 0.7340 0.118 Uiso 0.5 1 calc R . P . .
C297 C 0.5412(9) 0.5448(7) 0.7290(4) 0.098(3) Uani 0.5 1 d G U P . .
H297 H 0.5200 0.5462 0.7584 0.118 Uiso 0.5 1 calc R . P . .
C298 C 0.5226(6) 0.5875(5) 0.7006(4) 0.099(3) Uani 0.5 1 d G U P . .
H298 H 0.4887 0.6181 0.7105 0.119 Uiso 0.5 1 calc R . P . .
C10A C 0.0956(6) 0.3175(4) 0.4757(3) 0.069(2) Uani 0.532(9) 1 d D . P F 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Cu1 2.840(2) . ?
Au1 Cu1A 2.858(2) . ?
Au1 Cu2 2.9360(12) . ?
Au1 Cu2A 2.700(6) . ?
Au1 C1 1.962(9) . ?
Au1 C17 1.994(8) . ?
Au2 Ag1 3.0325(6) . ?
Au2 Ag4 2.9666(6) . ?
Au2 Cu1 2.662(3) . ?
Au2 Cu1A 2.9065(19) . ?
Au2 C33 1.981(7) . ?
Au2 C49 2.022(7) . ?
Au3 Au7 3.1825(4) . ?
Au3 Ag1 2.9387(6) . ?
Au3 Ag2 3.0061(6) . ?
Au3 Cu3 3.1735(17) . ?
Au3 Cu3A 2.789(4) . ?
Au3 Cu4A 2.822(2) . ?
Au3 C65 2.005(6) . ?
Au3 C81 1.973(6) . ?
Au4 Ag2 2.9874(6) . ?
Au4 Ag3 3.0052(6) . ?
Au4 Cu2 2.7487(13) . ?
Au4 Cu2A 2.721(6) . ?
Au4 C97 1.976(7) . ?
Au4 C113 1.972(7) . ?
Au5 Cu3 2.8581(17) . ?
Au5 Cu3A 2.932(4) . ?
Au5 Cu4 2.787(2) . ?
Au5 Cu4A 2.885(2) . ?
Au5 C129 1.989(8) . ?
Au5 C145 2.025(9) . ?
Au6 Ag1 3.0066(6) . ?
Au6 Ag3 2.9607(6) . ?
Au6 Cu3 2.6924(16) . ?
Au6 Cu3A 2.926(5) . ?
Au6 C161 1.987(6) . ?
Au6 C177 1.994(7) . ?
Au7 Ag1 3.3312(6) . ?
Au7 Ag3 3.0131(6) . ?
Au7 Ag4 3.0140(6) . ?
Au7 Cu1A 2.766(2) . ?
Au7 Cu2 3.1736(13) . ?
Au7 Cu2A 2.657(7) . ?
Au7 C193 1.950(7) . ?
Au7 C209 2.000(7) . ?
Au8 Ag2 2.9556(6) . ?
Au8 Ag4 2.9725(7) . ?
Au8 Cu4 2.673(2) . ?
Au8 Cu4A 2.931(3) . ?
Au8 C225 1.982(7) . ?
Au8 C241 1.979(7) . ?
Ag1 C33 2.364(6) . ?
Ag1 C161 2.422(6) . ?
Ag1 C193 2.558(8) . ?
Ag2 C97 2.407(6) . ?
Ag2 C209 2.542(7) . ?
Ag2 C241 2.407(7) . ?
Ag3 C65 2.495(7) . ?
Ag3 C113 2.420(6) . ?
Ag3 C177 2.414(6) . ?
Ag4 C49 2.393(7) . ?
Ag4 C81 2.618(7) . ?
Ag4 C209 2.605(7) . ?
Ag4 C225 2.393(7) . ?
Cu1 C1 1.938(10) . ?
Cu1 C2 2.197(9) . ?
Cu1 C49 1.919(8) . ?
Cu1 C50 2.195(8) . ?
Cu1A C1 2.038(10) . ?
Cu1A C2 2.310(9) . ?
Cu1A C193 2.174(7) . ?
Cu1A C194 2.514(7) . ?
Cu2 C17 2.018(8) . ?
Cu2 C18 2.203(7) . ?
Cu2 C113 2.038(6) . ?
Cu2 C114 2.204(6) . ?
Cu2A C17 1.899(11) . ?
Cu2A C18 2.246(10) . ?
Cu2A C113 2.397(8) . ?
Cu3 C129 1.941(9) . ?
Cu3 C130 2.227(8) . ?
Cu3 C161 1.983(7) . ?
Cu3 C162 2.263(7) . ?
Cu3A C65 2.080(8) . ?
Cu3A C66 2.387(7) . ?
Cu3A C129 1.959(10) . ?
Cu3A C130 2.223(10) . ?
Cu4 C145 1.953(9) . ?
Cu4 C146 2.220(8) . ?
Cu4 C241 1.964(7) . ?
Cu4 C242 2.242(7) . ?
Cu4A C81 2.076(7) . ?
Cu4A C82 2.338(7) . ?
Cu4A C145 1.994(10) . ?
Cu4A C146 2.255(9) . ?
C1 C2 1.237(12) . ?
C2 C3 1.447(11) . ?
C3 C4 1.352(13) . ?
C3 C8 1.406(11) . ?
C4 H4 0.9500 . ?
C4 C5 1.418(13) . ?
C5 C6 1.377(13) . ?
C5 C9 1.517(16) . ?
C6 H6 0.9500 . ?
C6 C7 1.388(13) . ?
C7 C8 1.388(10) . ?
C7 C13 1.561(11) . ?
C8 H8 0.9500 . ?
C9 C10 1.562(16) . ?
C9 C11 1.586(19) . ?
C9 C12 1.479(17) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.531(13) . ?
C13 C15 1.530(12) . ?
C13 C16 1.472(13) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.225(11) . ?
C18 C19 1.430(10) . ?
C19 C20 1.398(11) . ?
C19 C24 1.395(10) . ?
C20 H20 0.9500 . ?
C20 C21 1.355(10) . ?
C21 C22 1.443(12) . ?
C21 C25 1.522(12) . ?
C22 H22 0.9500 . ?
C22 C23 1.369(11) . ?
C23 C24 1.408(9) . ?
C23 C29 1.533(14) . ?
C23 C369 1.562(15) . ?
C24 H24 0.9500 . ?
C25 C26 1.539(13) . ?
C25 C27 1.500(16) . ?
C25 C28 1.590(17) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.532(12) . ?
C29 C31 1.535(12) . ?
C29 C32 1.530(13) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.232(10) . ?
C34 C35 1.439(10) . ?
C35 C36 1.424(9) . ?
C35 C40 1.372(9) . ?
C36 H36 0.9500 . ?
C36 C37 1.367(10) . ?
C37 C38 1.468(10) . ?
C37 C41 1.514(11) . ?
C38 H38 0.9500 . ?
C38 C39 1.339(10) . ?
C39 C40 1.411(10) . ?
C39 C45 1.544(10) . ?
C40 H40 0.9500 . ?
C41 C42 1.518(16) . ?
C41 C43 1.524(13) . ?
C41 C44 1.550(13) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.527(12) . ?
C45 C47 1.508(13) . ?
C45 C48 1.566(11) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.186(11) . ?
C50 C51 1.444(11) . ?
C51 C52 1.362(10) . ?
C51 C56 1.436(12) . ?
C52 H52 0.9500 . ?
C52 C53 1.420(12) . ?
C53 C54 1.358(15) . ?
C53 C57 1.554(12) . ?
C54 H54 0.9500 . ?
C54 C55 1.451(13) . ?
C55 C56 1.339(13) . ?
C55 C61 1.562(15) . ?
C55 C354 1.594(17) . ?
C56 H56 0.9500 . ?
C57 C58 1.440(17) . ?
C57 C59 1.579(19) . ?
C57 C60 1.63(2) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C62 1.540(12) . ?
C61 C63 1.534(12) . ?
C61 C64 1.541(12) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 C66 1.245(8) . ?
C66 C67 1.434(8) . ?
C67 C68 1.400(9) . ?
C67 C72 1.402(9) . ?
C68 H68 0.9500 . ?
C68 C69 1.398(9) . ?
C69 C70 1.443(10) . ?
C69 C73 1.511(10) . ?
C70 H70 0.9500 . ?
C70 C71 1.385(10) . ?
C71 C72 1.387(9) . ?
C71 C77 1.543(10) . ?
C72 H72 0.9500 . ?
C73 C74 1.562(13) . ?
C73 C75 1.513(14) . ?
C73 C76 1.540(11) . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C77 C78 1.62(2) . ?
C77 C79 1.553(18) . ?
C77 C80 1.472(17) . ?
C77 C362 1.51(2) . ?
C77 C363 1.71(3) . ?
C77 C364 1.55(2) . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 C82 1.258(9) . ?
C82 C83 1.443(8) . ?
C83 C84 1.415(9) . ?
C83 C88 1.399(9) . ?
C84 H84 0.9500 . ?
C84 C85 1.389(9) . ?
C85 C86 1.381(11) . ?
C85 C89 1.551(10) . ?
C86 H86 0.9500 . ?
C86 C87 1.381(11) . ?
C87 C88 1.405(10) . ?
C87 C93 1.541(11) . ?
C88 H88 0.9500 . ?
C89 C90 1.534(14) . ?
C89 C91 1.544(13) . ?
C89 C92 1.530(11) . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C93 C94 1.567(13) . ?
C93 C95 1.574(13) . ?
C93 C96 1.483(14) . ?
C94 H94A 0.9800 . ?
C94 H94B 0.9800 . ?
C94 H94C 0.9800 . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C97 C98 1.219(9) . ?
C98 C99 1.440(9) . ?
C99 C100 1.413(9) . ?
C99 C104 1.389(9) . ?
C100 H100 0.9500 . ?
C100 C101 1.360(10) . ?
C101 C102 1.401(10) . ?
C101 C105 1.540(13) . ?
C101 C10A 1.520(12) . ?
C102 H102 0.9500 . ?
C102 C103 1.413(10) . ?
C103 C104 1.404(9) . ?
C103 C109 1.520(10) . ?
C104 H104 0.9500 . ?
C105 C106 1.521(14) . ?
C105 C107 1.535(14) . ?
C105 C108 1.535(14) . ?
C106 H10D 0.9800 . ?
C106 H10E 0.9800 . ?
C106 H10F 0.9800 . ?
C107 H10G 0.9800 . ?
C107 H10H 0.9800 . ?
C107 H10I 0.9800 . ?
C108 H10J 0.9800 . ?
C108 H10K 0.9800 . ?
C108 H10L 0.9800 . ?
C109 C110 1.529(13) . ?
C109 C111 1.490(16) . ?
C109 C112 1.509(14) . ?
C110 H11D 0.9800 . ?
C110 H11E 0.9800 . ?
C110 H11F 0.9800 . ?
C111 H11G 0.9800 . ?
C111 H11H 0.9800 . ?
C111 H11I 0.9800 . ?
C112 H11J 0.9800 . ?
C112 H11K 0.9800 . ?
C112 H11L 0.9800 . ?
C113 C114 1.252(9) . ?
C114 C115 1.450(9) . ?
C115 C116 1.339(9) . ?
C115 C120 1.399(10) . ?
C116 H116 0.9500 . ?
C116 C117 1.422(10) . ?
C117 C118 1.381(11) . ?
C117 C121 1.511(10) . ?
C118 H118 0.9500 . ?
C118 C119 1.407(10) . ?
C119 C120 1.379(10) . ?
C119 C125 1.551(11) . ?
C120 H120 0.9500 . ?
C121 C122 1.489(14) . ?
C121 C123 1.548(13) . ?
C121 C124 1.558(13) . ?
C122 H12D 0.9800 . ?
C122 H12E 0.9800 . ?
C122 H12F 0.9800 . ?
C123 H12G 0.9800 . ?
C123 H12H 0.9800 . ?
C123 H12I 0.9800 . ?
C124 H12J 0.9800 . ?
C124 H12K 0.9800 . ?
C124 H12L 0.9800 . ?
C125 C126 1.528(13) . ?
C125 C127 1.468(12) . ?
C125 C128 1.591(13) . ?
C126 H12M 0.9800 . ?
C126 H12N 0.9800 . ?
C126 H12O 0.9800 . ?
C127 H12P 0.9800 . ?
C127 H12Q 0.9800 . ?
C127 H12R 0.9800 . ?
C128 H12S 0.9800 . ?
C128 H12T 0.9800 . ?
C128 H12U 0.9800 . ?
C129 C130 1.265(11) . ?
C130 C131 1.424(11) . ?
C131 C132 1.356(13) . ?
C131 C136 1.345(13) . ?
C132 H132 0.9500 . ?
C132 C133 1.420(10) . ?
C133 C134 1.389(13) . ?
C133 C137 1.504(14) . ?
C134 H134 0.9500 . ?
C134 C135 1.396(15) . ?
C135 C136 1.366(12) . ?
C135 C141 1.534(15) . ?
C136 H136 0.9500 . ?
C137 C138 1.574(15) . ?
C137 C139 1.459(16) . ?
C137 C140 1.476(15) . ?
C138 H13A 0.9800 . ?
C138 H13B 0.9800 . ?
C138 H13C 0.9800 . ?
C139 H13D 0.9800 . ?
C139 H13E 0.9800 . ?
C139 H13F 0.9800 . ?
C140 H14D 0.9800 . ?
C140 H14E 0.9800 . ?
C140 H14F 0.9800 . ?
C141 C142 1.443(18) . ?
C141 C143 1.53(2) . ?
C141 C144 1.589(19) . ?
C142 H14G 0.9800 . ?
C142 H14H 0.9800 . ?
C142 H14I 0.9800 . ?
C143 H14J 0.9800 . ?
C143 H14K 0.9800 . ?
C143 H14L 0.9800 . ?
C144 H14M 0.9800 . ?
C144 H14N 0.9800 . ?
C144 H14O 0.9800 . ?
C145 C146 1.174(12) . ?
C146 C147 1.436(12) . ?
C147 C148 1.407(13) . ?
C147 C152 1.434(13) . ?
C148 H148 0.9500 . ?
C148 C149 1.380(13) . ?
C149 C150 1.395(14) . ?
C149 C153 1.526(13) . ?
C150 H150 0.9500 . ?
C150 C151 1.397(12) . ?
C151 C152 1.387(11) . ?
C151 C157 1.512(12) . ?
C152 H152 0.9500 . ?
C153 C154 1.477(19) . ?
C153 C155 1.662(18) . ?
C153 C156 1.475(17) . ?
C154 H15D 0.9800 . ?
C154 H15E 0.9800 . ?
C154 H15F 0.9800 . ?
C155 H15G 0.9800 . ?
C155 H15H 0.9800 . ?
C155 H15I 0.9800 . ?
C156 H15J 0.9800 . ?
C156 H15K 0.9800 . ?
C156 H15L 0.9800 . ?
C157 C158 1.591(14) . ?
C157 C159 1.466(15) . ?
C157 C160 1.530(15) . ?
C158 H15M 0.9800 . ?
C158 H15N 0.9800 . ?
C158 H15O 0.9800 . ?
C159 H15P 0.9800 . ?
C159 H15Q 0.9800 . ?
C159 H15R 0.9800 . ?
C160 H16D 0.9800 . ?
C160 H16E 0.9800 . ?
C160 H16F 0.9800 . ?
C161 C162 1.233(9) . ?
C162 C163 1.456(9) . ?
C163 C164 1.357(10) . ?
C163 C168 1.435(9) . ?
C164 H164 0.9500 . ?
C164 C165 1.377(10) . ?
C165 C166 1.394(12) . ?
C165 C169 1.540(11) . ?
C166 H166 0.9500 . ?
C166 C167 1.394(12) . ?
C167 C168 1.353(10) . ?
C167 C173 1.528(11) . ?
C168 H168 0.9500 . ?
C169 C170 1.562(12) . ?
C169 C171 1.504(11) . ?
C169 C172 1.544(12) . ?
C170 H17A 0.9800 . ?
C170 H17B 0.9800 . ?
C170 H17C 0.9800 . ?
C171 H17D 0.9800 . ?
C171 H17E 0.9800 . ?
C171 H17F 0.9800 . ?
C172 H17G 0.9800 . ?
C172 H17H 0.9800 . ?
C172 H17I 0.9800 . ?
C173 C174 1.537(14) . ?
C173 C175 1.549(13) . ?
C173 C176 1.479(15) . ?
C174 H17J 0.9800 . ?
C174 H17K 0.9800 . ?
C174 H17L 0.9800 . ?
C175 H17M 0.9800 . ?
C175 H17N 0.9800 . ?
C175 H17O 0.9800 . ?
C176 H17P 0.9800 . ?
C176 H17Q 0.9800 . ?
C176 H17R 0.9800 . ?
C177 C178 1.238(9) . ?
C178 C179 1.395(9) . ?
C179 C180 1.391(9) . ?
C179 C184 1.422(9) . ?
C180 H180 0.9500 . ?
C180 C181 1.442(9) . ?
C181 C182 1.399(10) . ?
C181 C185 1.532(10) . ?
C182 H182 0.9500 . ?
C182 C183 1.391(11) . ?
C183 C184 1.357(11) . ?
C183 C189 1.598(13) . ?
C183 C365 1.511(13) . ?
C184 H184 0.9500 . ?
C185 C186 1.505(12) . ?
C185 C187 1.502(14) . ?
C185 C188 1.548(13) . ?
C186 H18A 0.9800 . ?
C186 H18B 0.9800 . ?
C186 H18C 0.9800 . ?
C187 H18D 0.9800 . ?
C187 H18E 0.9800 . ?
C187 H18F 0.9800 . ?
C188 H18G 0.9800 . ?
C188 H18H 0.9800 . ?
C188 H18I 0.9800 . ?
C189 C190 1.537(13) . ?
C189 C191 1.536(13) . ?
C189 C192 1.542(13) . ?
C190 H19A 0.9800 . ?
C190 H19B 0.9800 . ?
C190 H19C 0.9800 . ?
C191 H19D 0.9800 . ?
C191 H19E 0.9800 . ?
C191 H19F 0.9800 . ?
C192 H19G 0.9800 . ?
C192 H19H 0.9800 . ?
C192 H19I 0.9800 . ?
C193 C194 1.299(9) . ?
C194 C195 1.408(9) . ?
C195 C196 1.434(10) . ?
C195 C200 1.394(9) . ?
C196 H196 0.9500 . ?
C196 C197 1.359(10) . ?
C197 C198 1.394(10) . ?
C197 C201 1.545(10) . ?
C198 H198 0.9500 . ?
C198 C199 1.373(10) . ?
C199 C200 1.397(9) . ?
C199 C205 1.542(9) . ?
C200 H200 0.9500 . ?
C201 C202 1.519(12) . ?
C201 C203 1.539(13) . ?
C201 C204 1.515(12) . ?
C202 H20A 0.9800 . ?
C202 H20B 0.9800 . ?
C202 H20C 0.9800 . ?
C203 H20D 0.9800 . ?
C203 H20E 0.9800 . ?
C203 H20F 0.9800 . ?
C204 H20G 0.9800 . ?
C204 H20H 0.9800 . ?
C204 H20I 0.9800 . ?
C205 C206 1.491(12) . ?
C205 C207 1.533(14) . ?
C205 C208 1.553(11) . ?
C206 H20J 0.9800 . ?
C206 H20K 0.9800 . ?
C206 H20L 0.9800 . ?
C207 H20M 0.9800 . ?
C207 H20N 0.9800 . ?
C207 H20O 0.9800 . ?
C208 H20P 0.9800 . ?
C208 H20Q 0.9800 . ?
C208 H20R 0.9800 . ?
C209 C210 1.218(9) . ?
C210 C211 1.458(8) . ?
C211 C212 1.414(9) . ?
C211 C216 1.396(9) . ?
C212 H212 0.9500 . ?
C212 C213 1.370(10) . ?
C213 C214 1.380(11) . ?
C213 C217 1.534(12) . ?
C214 H214 0.9500 . ?
C214 C215 1.404(10) . ?
C215 C216 1.380(9) . ?
C215 C221 1.552(10) . ?
C216 H216 0.9500 . ?
C217 C218 1.497(15) . ?
C217 C219 1.605(17) . ?
C217 C220 1.433(15) . ?
C218 H21A 0.9800 . ?
C218 H21B 0.9800 . ?
C218 H21C 0.9800 . ?
C219 H21D 0.9800 . ?
C219 H21E 0.9800 . ?
C219 H21F 0.9800 . ?
C220 H22A 0.9800 . ?
C220 H22B 0.9800 . ?
C220 H22C 0.9800 . ?
C221 C222 1.515(12) . ?
C221 C223 1.520(12) . ?
C221 C224 1.564(10) . ?
C222 H22D 0.9800 . ?
C222 H22E 0.9800 . ?
C222 H22F 0.9800 . ?
C223 H22G 0.9800 . ?
C223 H22H 0.9800 . ?
C223 H22I 0.9800 . ?
C224 H22J 0.9800 . ?
C224 H22K 0.9800 . ?
C224 H22L 0.9800 . ?
C225 C226 1.244(10) . ?
C226 C227 1.436(10) . ?
C227 C228 1.368(10) . ?
C227 C232 1.400(10) . ?
C228 H228 0.9500 . ?
C228 C229 1.380(10) . ?
C229 C230 1.413(11) . ?
C229 C233 1.552(11) . ?
C230 H230 0.9500 . ?
C230 C231 1.386(11) . ?
C231 C232 1.427(10) . ?
C231 C237 1.535(11) . ?
C232 H232 0.9500 . ?
C233 C234 1.529(14) . ?
C233 C235 1.510(16) . ?
C233 C236 1.514(15) . ?
C234 H23A 0.9800 . ?
C234 H23B 0.9800 . ?
C234 H23C 0.9800 . ?
C235 H23D 0.9800 . ?
C235 H23E 0.9800 . ?
C235 H23F 0.9800 . ?
C236 H23G 0.9800 . ?
C236 H23H 0.9800 . ?
C236 H23I 0.9800 . ?
C237 C238 1.571(15) . ?
C237 C239 1.400(15) . ?
C237 C240 1.533(15) . ?
C238 H23J 0.9800 . ?
C238 H23K 0.9800 . ?
C238 H23L 0.9800 . ?
C239 H23M 0.9800 . ?
C239 H23N 0.9800 . ?
C239 H23O 0.9800 . ?
C240 H24A 0.9800 . ?
C240 H24B 0.9800 . ?
C240 H24C 0.9800 . ?
C241 C242 1.242(10) . ?
C242 C243 1.398(10) . ?
C243 C244 1.415(10) . ?
C243 C248 1.411(10) . ?
C244 H244 0.9500 . ?
C244 C245 1.373(13) . ?
C245 C246 1.373(13) . ?
C245 C249 1.557(16) . ?
C245 C347 1.569(17) . ?
C246 H246 0.9500 . ?
C246 C247 1.428(12) . ?
C247 C248 1.408(11) . ?
C247 C253 1.523(15) . ?
C247 C358 1.54(3) . ?
C248 H248 0.9500 . ?
C249 C250 1.534(13) . ?
C249 C251 1.538(13) . ?
C249 C252 1.531(14) . ?
C250 H25A 0.9800 . ?
C250 H25B 0.9800 . ?
C250 H25C 0.9800 . ?
C251 H25D 0.9800 . ?
C251 H25E 0.9800 . ?
C251 H25F 0.9800 . ?
C252 H25G 0.9800 . ?
C252 H25H 0.9800 . ?
C252 H25I 0.9800 . ?
C253 C254 1.516(18) . ?
C253 C255 1.548(18) . ?
C253 C256 1.539(18) . ?
C254 H25J 0.9800 . ?
C254 H25K 0.9800 . ?
C254 H25L 0.9800 . ?
C255 H25M 0.9800 . ?
C255 H25N 0.9800 . ?
C255 H25O 0.9800 . ?
C256 H25P 0.9800 . ?
C256 H25Q 0.9800 . ?
C256 H25R 0.9800 . ?
C347 C348 1.536(13) . ?
C347 C349 1.531(14) . ?
C347 C350 1.535(14) . ?
C348 H34A 0.9800 . ?
C348 H34B 0.9800 . ?
C348 H34C 0.9800 . ?
C349 H34D 0.9800 . ?
C349 H34E 0.9800 . ?
C349 H34F 0.9800 . ?
C350 H35A 0.9800 . ?
C350 H35B 0.9800 . ?
C350 H35C 0.9800 . ?
C351 H35D 0.9800 . ?
C351 H35E 0.9800 . ?
C351 H35F 0.9800 . ?
C351 C10A 1.526(13) . ?
C352 H35G 0.9800 . ?
C352 H35H 0.9800 . ?
C352 H35I 0.9800 . ?
C352 C10A 1.539(15) . ?
C353 H35J 0.9800 . ?
C353 H35K 0.9800 . ?
C353 H35L 0.9800 . ?
C353 C10A 1.535(13) . ?
C354 C355 1.527(14) . ?
C354 C356 1.531(14) . ?
C354 C357 1.533(16) . ?
C355 H35M 0.9800 . ?
C355 H35N 0.9800 . ?
C355 H35O 0.9800 . ?
C356 H35P 0.9800 . ?
C356 H35Q 0.9800 . ?
C356 H35R 0.9800 . ?
C357 H35S 0.9800 . ?
C357 H35T 0.9800 . ?
C357 H35U 0.9800 . ?
C358 C359 1.47(3) . ?
C358 C360 1.58(3) . ?
C358 C361 1.55(3) . ?
C359 H35V 0.9800 . ?
C359 H35W 0.9800 . ?
C359 H35X 0.9800 . ?
C360 H36A 0.9800 . ?
C360 H36B 0.9800 . ?
C360 H36C 0.9800 . ?
C361 H36D 0.9800 . ?
C361 H36E 0.9800 . ?
C361 H36F 0.9800 . ?
C362 H36G 0.9800 . ?
C362 H36H 0.9800 . ?
C362 H36I 0.9800 . ?
C363 H36J 0.9800 . ?
C363 H36K 0.9800 . ?
C363 H36L 0.9800 . ?
C364 H36M 0.9800 . ?
C364 H36N 0.9800 . ?
C364 H36O 0.9800 . ?
C365 C366 1.538(13) . ?
C365 C367 1.552(13) . ?
C365 C368 1.537(13) . ?
C366 H36P 0.9800 . ?
C366 H36Q 0.9800 . ?
C366 H36R 0.9800 . ?
C367 H36S 0.9800 . ?
C367 H36T 0.9800 . ?
C367 H36U 0.9800 . ?
C368 H36V 0.9800 . ?
C368 H36W 0.9800 . ?
C368 H36X 0.9800 . ?
C369 C370 1.534(13) . ?
C369 C371 1.530(13) . ?
C369 C372 1.529(14) . ?
C370 H37A 0.9800 . ?
C370 H37B 0.9800 . ?
C370 H37C 0.9800 . ?
C371 H37D 0.9800 . ?
C371 H37E 0.9800 . ?
C371 H37F 0.9800 . ?
C372 H37G 0.9800 . ?
C372 H37H 0.9800 . ?
C372 H37I 0.9800 . ?
Cl3 C320 1.732(10) . ?
C319 H319 0.9500 . ?
C319 C320 1.3900 . ?
C319 C318 1.3900 . ?
C320 C321 1.3900 . ?
C321 H321 0.9500 . ?
C321 C322 1.3900 . ?
C322 C317 1.3900 . ?
C317 H31D 0.9900 . ?
C317 H31E 0.9900 . ?
C317 C318 1.3900 . ?
C318 H318 0.9500 . ?
Cl7 C308 1.661(11) . ?
C308 C309 1.3900 . ?
C308 C307 1.3900 . ?
C309 H309 0.9500 . ?
C309 C310 1.3900 . ?
C310 H310 0.9500 . ?
C310 C305 1.3900 . ?
C305 H305 0.9500 . ?
C305 C306 1.3900 . ?
C306 H306 0.9500 . ?
C306 C307 1.3900 . ?
C307 H307 0.9500 . ?
Cl0A C323 1.723(11) . ?
C323 C328 1.3900 . ?
C323 C324 1.3900 . ?
C328 H328 0.9500 . ?
C328 C327 1.3900 . ?
C327 H327 0.9500 . ?
C327 C326 1.3900 . ?
C326 H326 0.9500 . ?
C326 C325 1.3900 . ?
C325 H325 0.9500 . ?
C325 C324 1.3900 . ?
C324 H324 0.9500 . ?
Cl5 C281 1.690(9) . ?
C281 C282 1.3900 . ?
C281 C286 1.3900 . ?
C282 H282 0.9500 . ?
C282 C283 1.3900 . ?
C283 H283 0.9500 . ?
C283 C284 1.3900 . ?
C284 H284 0.9500 . ?
C284 C285 1.3900 . ?
C285 H285 0.9500 . ?
C285 C286 1.3900 . ?
C286 H286 0.9500 . ?
Cl0B C329 1.734(13) . ?
C329 C334 1.3900 . ?
C329 C330 1.3900 . ?
C334 H334 0.9500 . ?
C334 C333 1.3900 . ?
C333 H333 0.9500 . ?
C333 C332 1.3900 . ?
C332 H332 0.9500 . ?
C332 C331 1.3900 . ?
C331 H331 0.9500 . ?
C331 C330 1.3900 . ?
C330 H330 0.9500 . ?
Cl9 C287 1.728(12) . ?
C287 C288 1.3900 . ?
C287 C292 1.3900 . ?
C288 H288 0.9500 . ?
C288 C289 1.3900 . ?
C289 H289 0.9500 . ?
C289 C290 1.3900 . ?
C290 H290 0.9500 . ?
C290 C291 1.3900 . ?
C291 H291 0.9500 . ?
C291 C292 1.3900 . ?
C292 H292 0.9500 . ?
Cl1 C275 1.783(10) . ?
C275 C276 1.353(15) . ?
C275 C280 1.364(14) . ?
C276 H276 0.9500 . ?
C276 C277 1.419(14) . ?
C277 H277 0.9500 . ?
C277 C278 1.389(15) . ?
C278 H278 0.9500 . ?
C278 C279 1.314(16) . ?
C279 H279 0.9500 . ?
C279 C280 1.403(16) . ?
C280 H280 0.9500 . ?
Cl4 C269 1.799(13) . ?
C269 C270 1.284(18) . ?
C269 C274 1.376(19) . ?
C270 H270 0.9500 . ?
C270 C271 1.318(17) . ?
C271 H271 0.9500 . ?
C271 C272 1.33(2) . ?
C272 H272 0.9500 . ?
C272 C273 1.43(2) . ?
C273 H273 0.9500 . ?
C273 C274 1.351(17) . ?
C274 H274 0.9500 . ?
Cl1A C311 1.602(18) . ?
C313 H313 0.9500 . ?
C313 C312 1.3900 . ?
C313 C314 1.3900 . ?
C312 H312 0.9500 . ?
C312 C311 1.3900 . ?
C311 C316 1.3900 . ?
C316 H316 0.9500 . ?
C316 C315 1.3900 . ?
C315 H315 0.9500 . ?
C315 C314 1.3900 . ?
C314 H314 0.9500 . ?
Cl6 C299 1.701(10) . ?
C299 C300 1.3900 . ?
C299 C304 1.3900 . ?
C300 H300 0.9500 . ?
C300 C301 1.3900 . ?
C301 H301 0.9500 . ?
C301 C302 1.3900 . ?
C302 H302 0.9500 . ?
C302 C303 1.3900 . ?
C303 H303 0.9500 . ?
C303 C304 1.3900 . ?
C304 H304 0.9500 . ?
Cl2 C263 1.740(6) . ?
C263 C268 1.3900 . ?
C263 C264 1.3900 . ?
C268 H268 0.9500 . ?
C268 C267 1.3900 . ?
C267 H267 0.9500 . ?
C267 C266 1.3900 . ?
C266 H266 0.9500 . ?
C266 C265 1.3900 . ?
C265 H265 0.9500 . ?
C265 C264 1.3900 . ?
C264 H264 0.9500 . ?
Cl8 C257 1.696(11) . ?
C258 H258 0.9500 . ?
C258 C257 1.3900 . ?
C258 C259 1.3900 . ?
C257 C262 1.3900 . ?
C262 H262 0.9500 . ?
C262 C261 1.3900 . ?
C261 H261 0.9500 . ?
C261 C260 1.3900 . ?
C260 H260 0.9500 . ?
C260 C259 1.3900 . ?
C259 H259 0.9500 . ?
Cl2A C335 1.721(11) . ?
C335 C340 1.3900 . ?
C335 C336 1.3900 . ?
C340 H340 0.9500 . ?
C340 C339 1.3900 . ?
C339 H339 0.9500 . ?
C339 C338 1.3900 . ?
C338 H338 0.9500 . ?
C338 C337 1.3900 . ?
C337 H337 0.9500 . ?
C337 C336 1.3900 . ?
C336 H336 0.9500 . ?
Cl2B C341 1.736(13) . ?
C341 C342 1.3900 . ?
C341 C346 1.3900 . ?
C342 H342 0.9500 . ?
C342 C343 1.3900 . ?
C343 H343 0.9500 . ?
C343 C344 1.3900 . ?
C344 H344 0.9500 . ?
C344 C345 1.3900 . ?
C345 H345 0.9500 . ?
C345 C346 1.3900 . ?
C346 H346 0.9500 . ?
Cl10 C293 1.780(13) . ?
C293 C294 1.3900 . ?
C293 C298 1.3900 . ?
C294 H294 0.9500 . ?
C294 C295 1.3900 . ?
C295 H295 0.9500 . ?
C295 C296 1.3900 . ?
C296 H296 0.9500 . ?
C296 C297 1.3900 . ?
C297 H297 0.9500 . ?
C297 C298 1.3900 . ?
C298 H298 0.9500 . ?

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
Cu1 Au1 Cu2 122.80(6) . . ?
Cu2A Au1 Cu1A 93.79(14) . . ?
C1 Au1 Cu1 43.0(3) . . ?
C1 Au1 Cu1A 45.5(3) . . ?
C1 Au1 Cu2 139.6(3) . . ?
C1 Au1 Cu2A 139.0(3) . . ?
C1 Au1 C17 176.0(4) . . ?
C17 Au1 Cu1 139.8(3) . . ?
C17 Au1 Cu1A 138.3(3) . . ?
C17 Au1 Cu2 43.3(2) . . ?
C17 Au1 Cu2A 44.7(3) . . ?
Ag4 Au2 Ag1 84.288(17) . . ?
Cu1 Au2 Ag1 113.57(5) . . ?
Cu1 Au2 Ag4 83.41(6) . . ?
Cu1A Au2 Ag1 76.27(4) . . ?
Cu1A Au2 Ag4 95.89(4) . . ?
C33 Au2 Ag1 51.19(18) . . ?
C33 Au2 Ag4 131.2(2) . . ?
C33 Au2 Cu1 128.5(2) . . ?
C33 Au2 Cu1A 92.0(2) . . ?
C33 Au2 C49 174.0(3) . . ?
C49 Au2 Ag1 130.52(19) . . ?
C49 Au2 Ag4 53.3(2) . . ?
C49 Au2 Cu1 45.9(2) . . ?
C49 Au2 Cu1A 83.3(2) . . ?
Ag1 Au3 Au7 65.801(15) . . ?
Ag1 Au3 Ag2 132.08(2) . . ?
Ag1 Au3 Cu3 74.26(3) . . ?
Ag2 Au3 Au7 66.278(14) . . ?
Ag2 Au3 Cu3 141.72(3) . . ?
Cu3 Au3 Au7 129.26(3) . . ?
Cu3A Au3 Au7 124.02(9) . . ?
Cu3A Au3 Ag1 98.07(10) . . ?
Cu3A Au3 Ag2 108.11(10) . . ?
Cu3A Au3 Cu4A 108.55(10) . . ?
Cu4A Au3 Au7 127.42(5) . . ?
Cu4A Au3 Ag1 109.62(6) . . ?
Cu4A Au3 Ag2 99.26(6) . . ?
C65 Au3 Au7 91.53(19) . . ?
C65 Au3 Ag1 118.91(19) . . ?
C65 Au3 Ag2 62.15(18) . . ?
C65 Au3 Cu3 81.24(18) . . ?
C65 Au3 Cu3A 48.1(2) . . ?
C65 Au3 Cu4A 127.5(2) . . ?
C81 Au3 Au7 94.2(2) . . ?
C81 Au3 Ag1 64.83(19) . . ?
C81 Au3 Ag2 119.35(19) . . ?
C81 Au3 Cu3 96.0(2) . . ?
C81 Au3 Cu3A 128.4(2) . . ?
C81 Au3 Cu4A 47.3(2) . . ?
C81 Au3 C65 174.2(3) . . ?
Ag2 Au4 Ag3 82.714(15) . . ?
Cu2 Au4 Ag2 108.01(3) . . ?
Cu2 Au4 Ag3 82.19(3) . . ?
Cu2A Au4 Ag2 93.30(14) . . ?
Cu2A Au4 Ag3 81.97(13) . . ?
C97 Au4 Ag2 53.42(18) . . ?
C97 Au4 Ag3 131.43(19) . . ?
C97 Au4 Cu2 126.8(2) . . ?
C97 Au4 Cu2A 116.4(2) . . ?
C113 Au4 Ag2 128.57(17) . . ?
C113 Au4 Ag3 53.43(17) . . ?
C113 Au4 Cu2 47.72(18) . . ?
C113 Au4 Cu2A 58.9(2) . . ?
C113 Au4 C97 173.9(3) . . ?
Cu4 Au5 Cu3 123.06(6) . . ?
Cu4A Au5 Cu3A 103.10(10) . . ?
C129 Au5 Cu3 42.7(3) . . ?
C129 Au5 Cu3A 41.6(3) . . ?
C129 Au5 Cu4 139.9(3) . . ?
C129 Au5 Cu4A 140.9(3) . . ?
C129 Au5 C145 174.7(4) . . ?
C145 Au5 Cu3 140.4(3) . . ?
C145 Au5 Cu3A 143.6(3) . . ?
C145 Au5 Cu4 44.5(3) . . ?
C145 Au5 Cu4A 43.7(3) . . ?
Ag3 Au6 Ag1 81.945(16) . . ?
Cu3 Au6 Ag1 80.61(3) . . ?
Cu3 Au6 Ag3 106.04(4) . . ?
Cu3A Au6 Ag1 93.63(8) . . ?
Cu3A Au6 Ag3 74.42(9) . . ?
C161 Au6 Ag1 53.40(18) . . ?
C161 Au6 Ag3 127.51(18) . . ?
C161 Au6 Cu3 47.2(2) . . ?
C161 Au6 Cu3A 81.7(2) . . ?
C161 Au6 C177 174.1(3) . . ?
C177 Au6 Ag1 131.17(19) . . ?
C177 Au6 Ag3 54.16(18) . . ?
C177 Au6 Cu3 127.5(2) . . ?
C177 Au6 Cu3A 93.8(2) . . ?
Au3 Au7 Ag1 53.577(13) . . ?
Ag3 Au7 Au3 66.061(13) . . ?
Ag3 Au7 Ag1 75.975(14) . . ?
Ag3 Au7 Ag4 132.156(19) . . ?
Ag3 Au7 Cu2 75.44(2) . . ?
Ag4 Au7 Au3 66.192(15) . . ?
Ag4 Au7 Ag1 78.583(17) . . ?
Ag4 Au7 Cu2 140.18(2) . . ?
Cu1A Au7 Au3 126.17(4) . . ?
Cu1A Au7 Ag1 73.33(4) . . ?
Cu1A Au7 Ag3 112.37(4) . . ?
Cu1A Au7 Ag4 97.87(4) . . ?
Cu2 Au7 Au3 131.92(2) . . ?
Cu2 Au7 Ag1 141.17(2) . . ?
Cu2A Au7 Au3 133.39(13) . . ?
Cu2A Au7 Ag1 150.70(13) . . ?
Cu2A Au7 Ag3 82.87(12) . . ?
Cu2A Au7 Ag4 130.62(13) . . ?
Cu2A Au7 Cu1A 96.91(14) . . ?
C193 Au7 Au3 93.6(2) . . ?
C193 Au7 Ag1 50.0(2) . . ?
C193 Au7 Ag3 62.53(19) . . ?
C193 Au7 Ag4 123.6(2) . . ?
C193 Au7 Cu1A 51.4(2) . . ?
C193 Au7 Cu2 93.2(2) . . ?
C193 Au7 Cu2A 102.1(3) . . ?
C193 Au7 C209 174.6(3) . . ?
C209 Au7 Au3 91.8(2) . . ?
C209 Au7 Ag1 134.14(19) . . ?
C209 Au7 Ag3 120.35(18) . . ?
C209 Au7 Ag4 58.52(18) . . ?
C209 Au7 Cu1A 124.44(19) . . ?
C209 Au7 Cu2 83.50(19) . . ?
C209 Au7 Cu2A 74.3(2) . . ?
Ag2 Au8 Ag4 81.462(17) . . ?
Cu4 Au8 Ag2 84.11(4) . . ?
Cu4 Au8 Ag4 113.88(5) . . ?
Cu4A Au8 Ag2 97.99(5) . . ?
Cu4A Au8 Ag4 78.13(6) . . ?
C225 Au8 Ag2 130.7(2) . . ?
C225 Au8 Ag4 53.34(19) . . ?
C225 Au8 Cu4 128.6(2) . . ?
C225 Au8 Cu4A 91.5(2) . . ?
C241 Au8 Ag2 54.12(19) . . ?
C241 Au8 Ag4 129.7(2) . . ?
C241 Au8 Cu4 47.1(2) . . ?
C241 Au8 Cu4A 85.3(2) . . ?
C241 Au8 C225 174.7(3) . . ?
Au2 Ag1 Au7 70.705(14) . . ?
Au3 Ag1 Au2 102.656(18) . . ?
Au3 Ag1 Au6 79.000(14) . . ?
Au3 Ag1 Au7 60.623(13) . . ?
Au6 Ag1 Au2 163.61(3) . . ?
Au6 Ag1 Au7 96.786(17) . . ?
C33 Ag1 Au2 40.76(16) . . ?
C33 Ag1 Au3 138.03(16) . . ?
C33 Ag1 Au6 142.41(16) . . ?
C33 Ag1 Au7 107.28(17) . . ?
C33 Ag1 C161 120.1(2) . . ?
C33 Ag1 C193 102.8(2) . . ?
C161 Ag1 Au2 154.58(14) . . ?
C161 Ag1 Au3 85.15(16) . . ?
C161 Ag1 Au6 41.20(14) . . ?
C161 Ag1 Au7 132.39(14) . . ?
C161 Ag1 C193 121.3(2) . . ?
C193 Ag1 Au2 83.45(14) . . ?
C193 Ag1 Au3 88.20(16) . . ?
C193 Ag1 Au6 80.29(14) . . ?
C193 Ag1 Au7 35.72(16) . . ?
Au4 Ag2 Au3 104.901(17) . . ?
Au8 Ag2 Au3 76.588(14) . . ?
Au8 Ag2 Au4 165.14(2) . . ?
C97 Ag2 Au3 141.56(16) . . ?
C97 Ag2 Au4 41.24(17) . . ?
C97 Ag2 Au8 141.26(16) . . ?
C97 Ag2 C209 102.7(2) . . ?
C97 Ag2 C241 118.3(2) . . ?
C209 Ag2 Au3 86.34(16) . . ?
C209 Ag2 Au4 83.42(14) . . ?
C209 Ag2 Au8 81.92(14) . . ?
C241 Ag2 Au3 84.35(16) . . ?
C241 Ag2 Au4 152.44(17) . . ?
C241 Ag2 Au8 41.76(17) . . ?
C241 Ag2 C209 123.5(2) . . ?
Au4 Ag3 Au7 76.428(13) . . ?
Au6 Ag3 Au4 164.99(2) . . ?
Au6 Ag3 Au7 105.138(16) . . ?
C65 Ag3 Au4 80.35(14) . . ?
C65 Ag3 Au6 84.82(14) . . ?
C65 Ag3 Au7 86.89(15) . . ?
C113 Ag3 Au4 40.86(16) . . ?
C113 Ag3 Au6 153.60(16) . . ?
C113 Ag3 Au7 82.88(14) . . ?
C113 Ag3 C65 121.1(2) . . ?
C177 Ag3 Au4 141.47(15) . . ?
C177 Ag3 Au6 42.03(17) . . ?
C177 Ag3 Au7 140.79(15) . . ?
C177 Ag3 C65 105.8(2) . . ?
C177 Ag3 C113 118.1(2) . . ?
Au2 Ag4 Au7 76.192(15) . . ?
Au2 Ag4 Au8 159.00(3) . . ?
Au8 Ag4 Au7 106.366(18) . . ?
C49 Ag4 Au2 42.68(17) . . ?
C49 Ag4 Au7 85.56(17) . . ?
C49 Ag4 Au8 156.49(16) . . ?
C49 Ag4 C81 120.8(2) . . ?
C49 Ag4 C209 97.1(2) . . ?
C49 Ag4 C225 119.6(2) . . ?
C81 Ag4 Au2 78.55(14) . . ?
C81 Ag4 Au7 86.36(14) . . ?
C81 Ag4 Au8 80.80(15) . . ?
C209 Ag4 Au2 111.19(16) . . ?
C209 Ag4 Au7 40.90(16) . . ?
C209 Ag4 Au8 80.57(16) . . ?
C209 Ag4 C81 113.1(2) . . ?
C225 Ag4 Au2 139.05(15) . . ?
C225 Ag4 Au7 144.75(15) . . ?
C225 Ag4 Au8 41.63(17) . . ?
C225 Ag4 C81 98.8(2) . . ?
C225 Ag4 C209 107.3(2) . . ?
Au2 Cu1 Au1 138.46(10) . . ?
C1 Cu1 Au1 43.6(3) . . ?
C1 Cu1 Au2 134.0(3) . . ?
C1 Cu1 C2 34.1(3) . . ?
C1 Cu1 C50 144.3(4) . . ?
C2 Cu1 Au1 77.7(2) . . ?
C2 Cu1 Au2 111.4(2) . . ?
C49 Cu1 Au1 133.5(2) . . ?
C49 Cu1 Au2 49.2(2) . . ?
C49 Cu1 C1 176.5(4) . . ?
C49 Cu1 C2 148.8(3) . . ?
C49 Cu1 C50 32.6(3) . . ?
C50 Cu1 Au1 114.5(2) . . ?
C50 Cu1 Au2 81.6(2) . . ?
C50 Cu1 C2 145.4(3) . . ?
Au1 Cu1A Au2 126.35(7) . . ?
Au7 Cu1A Au1 76.80(5) . . ?
Au7 Cu1A Au2 81.12(5) . . ?
C1 Cu1A Au1 43.3(3) . . ?
C1 Cu1A Au2 117.2(3) . . ?
C1 Cu1A Au7 117.8(3) . . ?
C1 Cu1A C2 32.3(3) . . ?
C1 Cu1A C193 143.4(3) . . ?
C1 Cu1A C194 137.7(3) . . ?
C2 Cu1A Au1 75.6(2) . . ?
C2 Cu1A Au2 100.3(2) . . ?
C2 Cu1A Au7 146.4(2) . . ?
C2 Cu1A C194 134.7(3) . . ?
C193 Cu1A Au1 103.1(2) . . ?
C193 Cu1A Au2 93.6(2) . . ?
C193 Cu1A Au7 44.53(19) . . ?
C193 Cu1A C2 163.6(3) . . ?
C193 Cu1A C194 31.1(2) . . ?
C194 Cu1A Au1 116.40(15) . . ?
C194 Cu1A Au2 104.06(16) . . ?
C194 Cu1A Au7 75.56(15) . . ?
Au1 Cu2 Au7 69.64(3) . . ?
Au4 Cu2 Au1 143.29(5) . . ?
Au4 Cu2 Au7 77.53(3) . . ?
C17 Cu2 Au1 42.6(2) . . ?
C17 Cu2 Au4 132.6(3) . . ?
C17 Cu2 Au7 99.0(3) . . ?
C17 Cu2 C18 33.4(3) . . ?
C17 Cu2 C113 175.2(3) . . ?
C17 Cu2 C114 146.8(3) . . ?
C18 Cu2 Au1 75.99(19) . . ?
C18 Cu2 Au4 109.6(2) . . ?
C18 Cu2 Au7 121.71(19) . . ?
C18 Cu2 C114 142.8(2) . . ?
C113 Cu2 Au1 142.00(18) . . ?
C113 Cu2 Au4 45.73(19) . . ?
C113 Cu2 Au7 85.15(17) . . ?
C113 Cu2 C18 141.9(3) . . ?
C113 Cu2 C114 34.1(3) . . ?
C114 Cu2 Au1 118.54(17) . . ?
C114 Cu2 Au4 79.72(17) . . ?
C114 Cu2 Au7 95.34(15) . . ?
Au1 Cu2A Au4 169.0(3) . . ?
Au7 Cu2A Au1 81.43(16) . . ?
Au7 Cu2A Au4 87.6(2) . . ?
C17 Cu2A Au1 47.6(3) . . ?
C17 Cu2A Au4 141.8(4) . . ?
C17 Cu2A Au7 122.8(4) . . ?
C17 Cu2A C18 33.1(3) . . ?
C17 Cu2A C113 140.9(5) . . ?
C18 Cu2A Au1 80.6(3) . . ?
C18 Cu2A Au4 109.2(3) . . ?
C18 Cu2A Au7 148.5(3) . . ?
C18 Cu2A C113 119.4(3) . . ?
C113 Cu2A Au1 135.1(3) . . ?
C113 Cu2A Au4 44.77(19) . . ?
C113 Cu2A Au7 91.5(2) . . ?
Au5 Cu3 Au3 69.45(4) . . ?
Au6 Cu3 Au3 79.83(4) . . ?
Au6 Cu3 Au5 146.38(7) . . ?
C129 Cu3 Au3 100.6(3) . . ?
C129 Cu3 Au5 44.0(2) . . ?
C129 Cu3 Au6 135.3(2) . . ?
C129 Cu3 C130 34.5(3) . . ?
C129 Cu3 C161 172.4(3) . . ?
C129 Cu3 C162 142.4(3) . . ?
C130 Cu3 Au3 123.7(2) . . ?
C130 Cu3 Au5 78.5(2) . . ?
C130 Cu3 Au6 109.3(2) . . ?
C130 Cu3 C162 138.1(3) . . ?
C161 Cu3 Au3 86.78(18) . . ?
C161 Cu3 Au5 139.60(18) . . ?
C161 Cu3 Au6 47.36(17) . . ?
C161 Cu3 C130 140.9(3) . . ?
C161 Cu3 C162 32.9(2) . . ?
C162 Cu3 Au3 97.93(18) . . ?
C162 Cu3 Au5 116.70(18) . . ?
C162 Cu3 Au6 80.00(18) . . ?
Au3 Cu3A Au5 74.02(10) . . ?
Au3 Cu3A Au6 82.83(11) . . ?
Au6 Cu3A Au5 130.19(15) . . ?
C65 Cu3A Au3 45.82(19) . . ?
C65 Cu3A Au5 100.2(2) . . ?
C65 Cu3A Au6 93.6(2) . . ?
C65 Cu3A C66 31.4(2) . . ?
C65 Cu3A C130 162.0(4) . . ?
C66 Cu3A Au3 77.18(19) . . ?
C66 Cu3A Au5 114.1(2) . . ?
C66 Cu3A Au6 102.4(2) . . ?
C129 Cu3A Au3 114.3(3) . . ?
C129 Cu3A Au5 42.4(2) . . ?
C129 Cu3A Au6 121.8(4) . . ?
C129 Cu3A C65 139.3(4) . . ?
C129 Cu3A C66 134.9(4) . . ?
C129 Cu3A C130 34.5(3) . . ?
C130 Cu3A Au3 145.0(3) . . ?
C130 Cu3A Au5 76.9(2) . . ?
C130 Cu3A Au6 101.8(3) . . ?
C130 Cu3A C66 133.6(3) . . ?
Au8 Cu4 Au5 140.47(9) . . ?
C145 Cu4 Au5 46.6(3) . . ?
C145 Cu4 Au8 131.2(3) . . ?
C145 Cu4 C146 31.9(3) . . ?
C145 Cu4 C241 177.0(4) . . ?
C145 Cu4 C242 147.2(4) . . ?
C146 Cu4 Au5 78.5(2) . . ?
C146 Cu4 Au8 109.3(3) . . ?
C146 Cu4 C242 144.8(3) . . ?
C241 Cu4 Au5 136.4(2) . . ?
C241 Cu4 Au8 47.6(2) . . ?
C241 Cu4 C146 145.1(3) . . ?
C241 Cu4 C242 33.5(3) . . ?
C242 Cu4 Au5 115.6(2) . . ?
C242 Cu4 Au8 80.9(2) . . ?
Au3 Cu4A Au5 74.28(6) . . ?
Au3 Cu4A Au8 79.89(6) . . ?
Au5 Cu4A Au8 124.16(9) . . ?
C81 Cu4A Au3 44.33(18) . . ?
C81 Cu4A Au5 102.4(2) . . ?
C81 Cu4A Au8 91.4(2) . . ?
C81 Cu4A C82 32.4(2) . . ?
C81 Cu4A C146 167.1(3) . . ?
C82 Cu4A Au3 76.66(18) . . ?
C82 Cu4A Au5 117.80(19) . . ?
C82 Cu4A Au8 102.56(19) . . ?
C145 Cu4A Au3 116.4(3) . . ?
C145 Cu4A Au5 44.6(3) . . ?
C145 Cu4A Au8 116.7(3) . . ?
C145 Cu4A C81 144.5(3) . . ?
C145 Cu4A C82 139.9(3) . . ?
C145 Cu4A C146 31.3(3) . . ?
C146 Cu4A Au3 143.3(2) . . ?
C146 Cu4A Au5 75.8(2) . . ?
C146 Cu4A Au8 100.1(2) . . ?
C146 Cu4A C82 137.3(3) . . ?
Au1 C1 Cu1A 91.2(4) . . ?
Cu1 C1 Au1 93.4(4) . . ?
C2 C1 Au1 177.2(9) . . ?
C2 C1 Cu1 84.5(6) . . ?
C2 C1 Cu1A 86.0(7) . . ?
C1 C2 Cu1 61.4(6) . . ?
C1 C2 Cu1A 61.7(6) . . ?
C1 C2 C3 166.9(10) . . ?
C3 C2 Cu1 130.5(6) . . ?
C3 C2 Cu1A 128.5(6) . . ?
C4 C3 C2 122.2(8) . . ?
C4 C3 C8 119.6(7) . . ?
C8 C3 C2 118.1(8) . . ?
C3 C4 H4 119.6 . . ?
C3 C4 C5 120.9(8) . . ?
C5 C4 H4 119.6 . . ?
C4 C5 C9 122.1(9) . . ?
C6 C5 C4 118.4(9) . . ?
C6 C5 C9 119.5(9) . . ?
C5 C6 H6 119.0 . . ?
C5 C6 C7 121.9(8) . . ?
C7 C6 H6 119.0 . . ?
C6 C7 C13 119.9(7) . . ?
C8 C7 C6 118.3(7) . . ?
C8 C7 C13 121.8(7) . . ?
C3 C8 H8 119.6 . . ?
C7 C8 C3 120.8(8) . . ?
C7 C8 H8 119.6 . . ?
C5 C9 C10 112.0(10) . . ?
C5 C9 C11 109.3(11) . . ?
C10 C9 C11 104.4(10) . . ?
C12 C9 C5 110.5(10) . . ?
C12 C9 C10 111.1(11) . . ?
C12 C9 C11 109.2(11) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C7 107.4(7) . . ?
C15 C13 C7 110.1(8) . . ?
C15 C13 C14 109.6(8) . . ?
C16 C13 C7 109.1(7) . . ?
C16 C13 C14 111.3(8) . . ?
C16 C13 C15 109.3(9) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Au1 C17 Cu2 94.1(3) . . ?
Cu2A C17 Au1 87.8(4) . . ?
C18 C17 Au1 174.8(7) . . ?
C18 C17 Cu2 81.6(5) . . ?
C18 C17 Cu2A 89.2(6) . . ?
C17 C18 Cu2 65.0(5) . . ?
C17 C18 Cu2A 57.7(5) . . ?
C17 C18 C19 165.7(8) . . ?
C19 C18 Cu2 129.0(5) . . ?
C19 C18 Cu2A 136.5(6) . . ?
C20 C19 C18 118.9(7) . . ?
C24 C19 C18 120.8(7) . . ?
C24 C19 C20 120.0(6) . . ?
C19 C20 H20 119.3 . . ?
C21 C20 C19 121.5(7) . . ?
C21 C20 H20 119.3 . . ?
C20 C21 C22 118.2(7) . . ?
C20 C21 C25 123.0(8) . . ?
C22 C21 C25 118.7(7) . . ?
C21 C22 H22 119.4 . . ?
C23 C22 C21 121.2(7) . . ?
C23 C22 H22 119.4 . . ?
C22 C23 C24 119.2(7) . . ?
C22 C23 C29 118.4(7) . . ?
C22 C23 C369 122.2(7) . . ?
C24 C23 C29 122.4(7) . . ?
C24 C23 C369 117.8(7) . . ?
C19 C24 C23 119.7(7) . . ?
C19 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
C21 C25 C26 110.3(8) . . ?
C21 C25 C28 111.2(8) . . ?
C26 C25 C28 105.3(10) . . ?
C27 C25 C21 111.6(9) . . ?
C27 C25 C26 112.0(9) . . ?
C27 C25 C28 106.2(9) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C23 C29 C31 109.9(10) . . ?
C30 C29 C23 104.2(10) . . ?
C30 C29 C31 110.7(11) . . ?
C32 C29 C23 112.1(8) . . ?
C32 C29 C30 108.8(10) . . ?
C32 C29 C31 111.0(12) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Au2 C33 Ag1 88.0(2) . . ?
C34 C33 Au2 175.5(7) . . ?
C34 C33 Ag1 92.6(5) . . ?
C33 C34 C35 175.5(7) . . ?
C36 C35 C34 118.3(6) . . ?
C40 C35 C34 121.7(6) . . ?
C40 C35 C36 119.9(6) . . ?
C35 C36 H36 119.2 . . ?
C37 C36 C35 121.7(6) . . ?
C37 C36 H36 119.2 . . ?
C36 C37 C38 116.0(7) . . ?
C36 C37 C41 122.0(6) . . ?
C38 C37 C41 121.8(7) . . ?
C37 C38 H38 118.7 . . ?
C39 C38 C37 122.7(7) . . ?
C39 C38 H38 118.7 . . ?
C38 C39 C40 119.4(6) . . ?
C38 C39 C45 120.0(7) . . ?
C40 C39 C45 120.5(6) . . ?
C35 C40 C39 120.2(6) . . ?
C35 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
C37 C41 C42 107.9(8) . . ?
C37 C41 C43 113.2(7) . . ?
C37 C41 C44 112.3(7) . . ?
C42 C41 C43 107.2(8) . . ?
C42 C41 C44 106.1(8) . . ?
C43 C41 C44 109.8(8) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C39 C45 C48 112.7(6) . . ?
C46 C45 C39 109.1(7) . . ?
C46 C45 C48 106.4(7) . . ?
C47 C45 C39 109.6(7) . . ?
C47 C45 C46 110.3(7) . . ?
C47 C45 C48 108.7(7) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
Au2 C49 Ag4 84.0(3) . . ?
Cu1 C49 Au2 84.9(3) . . ?
Cu1 C49 Ag4 120.5(3) . . ?
C50 C49 Au2 168.2(7) . . ?
C50 C49 Ag4 107.4(6) . . ?
C50 C49 Cu1 86.6(6) . . ?
C49 C50 Cu1 60.8(5) . . ?
C49 C50 C51 175.6(8) . . ?
C51 C50 Cu1 122.4(6) . . ?
C52 C51 C50 121.3(7) . . ?
C52 C51 C56 121.2(7) . . ?
C56 C51 C50 117.3(6) . . ?
C51 C52 H52 119.6 . . ?
C51 C52 C53 120.7(8) . . ?
C53 C52 H52 119.6 . . ?
C52 C53 C57 123.2(9) . . ?
C54 C53 C52 116.7(8) . . ?
C54 C53 C57 120.1(9) . . ?
C53 C54 H54 118.1 . . ?
C53 C54 C55 123.9(9) . . ?
C55 C54 H54 118.1 . . ?
C54 C55 C61 122.9(8) . . ?
C54 C55 C354 110.8(8) . . ?
C56 C55 C54 117.7(9) . . ?
C56 C55 C61 118.5(8) . . ?
C56 C55 C354 129.3(8) . . ?
C51 C56 H56 120.1 . . ?
C55 C56 C51 119.7(8) . . ?
C55 C56 H56 120.1 . . ?
C53 C57 C59 111.1(9) . . ?
C53 C57 C60 108.3(10) . . ?
C58 C57 C53 113.1(11) . . ?
C58 C57 C59 113.4(10) . . ?
C58 C57 C60 101.6(11) . . ?
C59 C57 C60 108.7(12) . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C57 C59 H59A 109.5 . . ?
C57 C59 H59B 109.5 . . ?
C57 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C57 C60 H60A 109.5 . . ?
C57 C60 H60B 109.5 . . ?
C57 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C62 C61 C55 112.8(8) . . ?
C62 C61 C64 109.6(10) . . ?
C63 C61 C55 103.9(8) . . ?
C63 C61 C62 109.5(8) . . ?
C63 C61 C64 108.6(8) . . ?
C64 C61 C55 112.3(8) . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C61 C63 H63A 109.5 . . ?
C61 C63 H63B 109.5 . . ?
C61 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C61 C64 H64A 109.5 . . ?
C61 C64 H64B 109.5 . . ?
C61 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
Au3 C65 Ag3 96.8(3) . . ?
Au3 C65 Cu3A 86.1(3) . . ?
Cu3A C65 Ag3 101.8(3) . . ?
C66 C65 Au3 172.7(6) . . ?
C66 C65 Ag3 88.7(4) . . ?
C66 C65 Cu3A 88.0(5) . . ?
C65 C66 Cu3A 60.6(4) . . ?
C65 C66 C67 176.1(7) . . ?
C67 C66 Cu3A 117.4(4) . . ?
C68 C67 C66 122.2(6) . . ?
C68 C67 C72 120.9(6) . . ?
C72 C67 C66 116.9(6) . . ?
C67 C68 H68 119.5 . . ?
C69 C68 C67 121.0(6) . . ?
C69 C68 H68 119.5 . . ?
C68 C69 C70 116.2(6) . . ?
C68 C69 C73 124.5(6) . . ?
C70 C69 C73 119.2(6) . . ?
C69 C70 H70 118.6 . . ?
C71 C70 C69 122.7(6) . . ?
C71 C70 H70 118.6 . . ?
C70 C71 C72 119.1(6) . . ?
C70 C71 C77 119.0(6) . . ?
C72 C71 C77 121.9(6) . . ?
C67 C72 H72 120.0 . . ?
C71 C72 C67 120.0(6) . . ?
C71 C72 H72 120.0 . . ?
C69 C73 C74 111.1(7) . . ?
C69 C73 C75 108.9(7) . . ?
C69 C73 C76 112.3(6) . . ?
C75 C73 C74 106.3(7) . . ?
C75 C73 C76 108.9(8) . . ?
C76 C73 C74 109.2(8) . . ?
C73 C74 H74A 109.5 . . ?
C73 C74 H74B 109.5 . . ?
C73 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C73 C75 H75A 109.5 . . ?
C73 C75 H75B 109.5 . . ?
C73 C75 H75C 109.5 . . ?
H75A C75 H75B 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C73 C76 H76A 109.5 . . ?
C73 C76 H76B 109.5 . . ?
C73 C76 H76C 109.5 . . ?
H76A C76 H76B 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C71 C77 C78 105.5(8) . . ?
C71 C77 C79 106.9(8) . . ?
C71 C77 C363 102.3(9) . . ?
C71 C77 C364 111.4(9) . . ?
C79 C77 C78 101.5(11) . . ?
C80 C77 C71 114.1(8) . . ?
C80 C77 C78 111.8(10) . . ?
C80 C77 C79 115.9(11) . . ?
C362 C77 C71 115.4(11) . . ?
C362 C77 C363 101.3(15) . . ?
C362 C77 C364 124.9(13) . . ?
C364 C77 C363 95.5(13) . . ?
C77 C78 H78A 109.5 . . ?
C77 C78 H78B 109.5 . . ?
C77 C78 H78C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C77 C79 H79A 109.5 . . ?
C77 C79 H79B 109.5 . . ?
C77 C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C77 C80 H80A 109.5 . . ?
C77 C80 H80B 109.5 . . ?
C77 C80 H80C 109.5 . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
Au3 C81 Ag4 94.0(3) . . ?
Au3 C81 Cu4A 88.3(3) . . ?
Cu4A C81 Ag4 104.3(3) . . ?
C82 C81 Au3 171.7(6) . . ?
C82 C81 Ag4 92.8(5) . . ?
C82 C81 Cu4A 85.3(5) . . ?
C81 C82 Cu4A 62.2(4) . . ?
C81 C82 C83 178.3(7) . . ?
C83 C82 Cu4A 117.1(5) . . ?
C84 C83 C82 118.1(6) . . ?
C88 C83 C82 121.3(6) . . ?
C88 C83 C84 120.5(6) . . ?
C83 C84 H84 120.7 . . ?
C85 C84 C83 118.6(6) . . ?
C85 C84 H84 120.7 . . ?
C84 C85 C89 117.7(7) . . ?
C86 C85 C84 119.3(7) . . ?
C86 C85 C89 122.9(6) . . ?
C85 C86 H86 118.1 . . ?
C87 C86 C85 123.9(7) . . ?
C87 C86 H86 118.1 . . ?
C86 C87 C88 117.0(7) . . ?
C86 C87 C93 120.5(7) . . ?
C88 C87 C93 122.5(7) . . ?
C83 C88 C87 120.6(6) . . ?
C83 C88 H88 119.7 . . ?
C87 C88 H88 119.7 . . ?
C90 C89 C85 110.8(7) . . ?
C90 C89 C91 111.8(8) . . ?
C91 C89 C85 107.1(7) . . ?
C92 C89 C85 111.7(7) . . ?
C92 C89 C90 107.0(7) . . ?
C92 C89 C91 108.4(8) . . ?
C89 C90 H90A 109.5 . . ?
C89 C90 H90B 109.5 . . ?
C89 C90 H90C 109.5 . . ?
H90A C90 H90B 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C89 C91 H91A 109.5 . . ?
C89 C91 H91B 109.5 . . ?
C89 C91 H91C 109.5 . . ?
H91A C91 H91B 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C89 C92 H92A 109.5 . . ?
C89 C92 H92B 109.5 . . ?
C89 C92 H92C 109.5 . . ?
H92A C92 H92B 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C87 C93 C94 108.9(8) . . ?
C87 C93 C95 112.2(6) . . ?
C94 C93 C95 106.6(8) . . ?
C96 C93 C87 110.2(8) . . ?
C96 C93 C94 111.4(7) . . ?
C96 C93 C95 107.5(8) . . ?
C93 C94 H94A 109.5 . . ?
C93 C94 H94B 109.5 . . ?
C93 C94 H94C 109.5 . . ?
H94A C94 H94B 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
C93 C95 H95A 109.5 . . ?
C93 C95 H95B 109.5 . . ?
C93 C95 H95C 109.5 . . ?
H95A C95 H95B 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C93 C96 H96A 109.5 . . ?
C93 C96 H96B 109.5 . . ?
C93 C96 H96C 109.5 . . ?
H96A C96 H96B 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
Au4 C97 Ag2 85.3(2) . . ?
C98 C97 Au4 175.8(6) . . ?
C98 C97 Ag2 95.5(4) . . ?
C97 C98 C99 174.9(7) . . ?
C100 C99 C98 121.6(6) . . ?
C104 C99 C98 118.5(6) . . ?
C104 C99 C100 119.9(6) . . ?
C99 C100 H100 119.3 . . ?
C101 C100 C99 121.3(6) . . ?
C101 C100 H100 119.3 . . ?
C100 C101 C102 118.2(6) . . ?
C100 C101 C105 120.1(7) . . ?
C100 C101 C10A 122.4(7) . . ?
C102 C101 C105 121.6(7) . . ?
C102 C101 C10A 119.1(7) . . ?
C101 C102 H102 118.6 . . ?
C101 C102 C103 122.8(6) . . ?
C103 C102 H102 118.6 . . ?
C102 C103 C109 120.0(6) . . ?
C104 C103 C102 117.2(6) . . ?
C104 C103 C109 122.8(6) . . ?
C99 C104 C103 120.6(6) . . ?
C99 C104 H104 119.7 . . ?
C103 C104 H104 119.7 . . ?
C106 C105 C101 106.8(10) . . ?
C106 C105 C107 102.1(11) . . ?
C106 C105 C108 107.9(13) . . ?
C107 C105 C101 113.7(9) . . ?
C108 C105 C101 113.4(10) . . ?
C108 C105 C107 111.9(13) . . ?
C105 C106 H10D 109.5 . . ?
C105 C106 H10E 109.5 . . ?
C105 C106 H10F 109.5 . . ?
H10D C106 H10E 109.5 . . ?
H10D C106 H10F 109.5 . . ?
H10E C106 H10F 109.5 . . ?
C105 C107 H10G 109.5 . . ?
C105 C107 H10H 109.5 . . ?
C105 C107 H10I 109.5 . . ?
H10G C107 H10H 109.5 . . ?
H10G C107 H10I 109.5 . . ?
H10H C107 H10I 109.5 . . ?
C105 C108 H10J 109.5 . . ?
C105 C108 H10K 109.5 . . ?
C105 C108 H10L 109.5 . . ?
H10J C108 H10K 109.5 . . ?
H10J C108 H10L 109.5 . . ?
H10K C108 H10L 109.5 . . ?
C103 C109 C110 113.0(7) . . ?
C111 C109 C103 111.7(8) . . ?
C111 C109 C110 107.4(9) . . ?
C111 C109 C112 107.9(9) . . ?
C112 C109 C103 111.3(7) . . ?
C112 C109 C110 105.2(9) . . ?
C109 C110 H11D 109.5 . . ?
C109 C110 H11E 109.5 . . ?
C109 C110 H11F 109.5 . . ?
H11D C110 H11E 109.5 . . ?
H11D C110 H11F 109.5 . . ?
H11E C110 H11F 109.5 . . ?
C109 C111 H11G 109.5 . . ?
C109 C111 H11H 109.5 . . ?
C109 C111 H11I 109.5 . . ?
H11G C111 H11H 109.5 . . ?
H11G C111 H11I 109.5 . . ?
H11H C111 H11I 109.5 . . ?
C109 C112 H11J 109.5 . . ?
C109 C112 H11K 109.5 . . ?
C109 C112 H11L 109.5 . . ?
H11J C112 H11K 109.5 . . ?
H11J C112 H11L 109.5 . . ?
H11K C112 H11L 109.5 . . ?
Au4 C113 Ag3 85.7(2) . . ?
Au4 C113 Cu2 86.5(2) . . ?
Au4 C113 Cu2A 76.4(3) . . ?
Cu2 C113 Ag3 116.1(3) . . ?
Cu2A C113 Ag3 102.7(3) . . ?
C114 C113 Au4 166.1(5) . . ?
C114 C113 Ag3 103.9(4) . . ?
C114 C113 Cu2 80.3(4) . . ?
C114 C113 Cu2A 91.6(5) . . ?
C113 C114 Cu2 65.7(4) . . ?
C113 C114 C115 169.3(7) . . ?
C115 C114 Cu2 123.4(5) . . ?
C116 C115 C114 119.9(6) . . ?
C116 C115 C120 121.9(6) . . ?
C120 C115 C114 118.2(6) . . ?
C115 C116 H116 119.0 . . ?
C115 C116 C117 122.0(7) . . ?
C117 C116 H116 119.0 . . ?
C116 C117 C121 119.9(7) . . ?
C118 C117 C116 114.9(6) . . ?
C118 C117 C121 125.0(7) . . ?
C117 C118 H118 117.9 . . ?
C117 C118 C119 124.2(7) . . ?
C119 C118 H118 117.9 . . ?
C118 C119 C125 120.6(7) . . ?
C120 C119 C118 118.0(7) . . ?
C120 C119 C125 121.4(6) . . ?
C115 C120 H120 120.5 . . ?
C119 C120 C115 118.9(6) . . ?
C119 C120 H120 120.5 . . ?
C117 C121 C123 111.4(7) . . ?
C117 C121 C124 111.1(7) . . ?
C122 C121 C117 110.6(7) . . ?
C122 C121 C123 110.6(8) . . ?
C122 C121 C124 107.8(8) . . ?
C123 C121 C124 105.1(8) . . ?
C121 C122 H12D 109.5 . . ?
C121 C122 H12E 109.5 . . ?
C121 C122 H12F 109.5 . . ?
H12D C122 H12E 109.5 . . ?
H12D C122 H12F 109.5 . . ?
H12E C122 H12F 109.5 . . ?
C121 C123 H12G 109.5 . . ?
C121 C123 H12H 109.5 . . ?
C121 C123 H12I 109.5 . . ?
H12G C123 H12H 109.5 . . ?
H12G C123 H12I 109.5 . . ?
H12H C123 H12I 109.5 . . ?
C121 C124 H12J 109.5 . . ?
C121 C124 H12K 109.5 . . ?
C121 C124 H12L 109.5 . . ?
H12J C124 H12K 109.5 . . ?
H12J C124 H12L 109.5 . . ?
H12K C124 H12L 109.5 . . ?
C119 C125 C128 105.3(7) . . ?
C126 C125 C119 108.5(7) . . ?
C126 C125 C128 110.4(7) . . ?
C127 C125 C119 113.5(7) . . ?
C127 C125 C126 110.3(8) . . ?
C127 C125 C128 108.7(7) . . ?
C125 C126 H12M 109.5 . . ?
C125 C126 H12N 109.5 . . ?
C125 C126 H12O 109.5 . . ?
H12M C126 H12N 109.5 . . ?
H12M C126 H12O 109.5 . . ?
H12N C126 H12O 109.5 . . ?
C125 C127 H12P 109.5 . . ?
C125 C127 H12Q 109.5 . . ?
C125 C127 H12R 109.5 . . ?
H12P C127 H12Q 109.5 . . ?
H12P C127 H12R 109.5 . . ?
H12Q C127 H12R 109.5 . . ?
C125 C128 H12S 109.5 . . ?
C125 C128 H12T 109.5 . . ?
C125 C128 H12U 109.5 . . ?
H12S C128 H12T 109.5 . . ?
H12S C128 H12U 109.5 . . ?
H12T C128 H12U 109.5 . . ?
Cu3 C129 Au5 93.3(3) . . ?
Cu3A C129 Au5 95.9(4) . . ?
C130 C129 Au5 178.1(8) . . ?
C130 C129 Cu3 85.2(6) . . ?
C130 C129 Cu3A 84.3(6) . . ?
C129 C130 Cu3 60.3(5) . . ?
C129 C130 Cu3A 61.2(5) . . ?
C129 C130 C131 167.6(9) . . ?
C131 C130 Cu3 130.9(7) . . ?
C131 C130 Cu3A 129.2(6) . . ?
C132 C131 C130 121.1(8) . . ?
C136 C131 C130 117.5(9) . . ?
C136 C131 C132 121.1(8) . . ?
C131 C132 H132 120.0 . . ?
C131 C132 C133 120.1(7) . . ?
C133 C132 H132 120.0 . . ?
C132 C133 C137 120.2(8) . . ?
C134 C133 C132 117.1(8) . . ?
C134 C133 C137 122.7(8) . . ?
C133 C134 H134 119.1 . . ?
C133 C134 C135 121.7(8) . . ?
C135 C134 H134 119.1 . . ?
C134 C135 C141 119.9(8) . . ?
C136 C135 C134 117.8(9) . . ?
C136 C135 C141 121.9(10) . . ?
C131 C136 C135 122.1(10) . . ?
C131 C136 H136 119.0 . . ?
C135 C136 H136 119.0 . . ?
C133 C137 C138 105.6(9) . . ?
C139 C137 C133 113.4(8) . . ?
C139 C137 C138 107.2(9) . . ?
C139 C137 C140 115.1(10) . . ?
C140 C137 C133 112.1(9) . . ?
C140 C137 C138 102.2(9) . . ?
C137 C138 H13A 109.5 . . ?
C137 C138 H13B 109.5 . . ?
C137 C138 H13C 109.5 . . ?
H13A C138 H13B 109.5 . . ?
H13A C138 H13C 109.5 . . ?
H13B C138 H13C 109.5 . . ?
C137 C139 H13D 109.5 . . ?
C137 C139 H13E 109.5 . . ?
C137 C139 H13F 109.5 . . ?
H13D C139 H13E 109.5 . . ?
H13D C139 H13F 109.5 . . ?
H13E C139 H13F 109.5 . . ?
C137 C140 H14D 109.5 . . ?
C137 C140 H14E 109.5 . . ?
C137 C140 H14F 109.5 . . ?
H14D C140 H14E 109.5 . . ?
H14D C140 H14F 109.5 . . ?
H14E C140 H14F 109.5 . . ?
C135 C141 C144 104.5(10) . . ?
C142 C141 C135 114.3(12) . . ?
C142 C141 C143 111.1(12) . . ?
C142 C141 C144 107.9(10) . . ?
C143 C141 C135 112.8(9) . . ?
C143 C141 C144 105.5(12) . . ?
C141 C142 H14G 109.5 . . ?
C141 C142 H14H 109.5 . . ?
C141 C142 H14I 109.5 . . ?
H14G C142 H14H 109.5 . . ?
H14G C142 H14I 109.5 . . ?
H14H C142 H14I 109.5 . . ?
C141 C143 H14J 109.5 . . ?
C141 C143 H14K 109.5 . . ?
C141 C143 H14L 109.5 . . ?
H14J C143 H14K 109.5 . . ?
H14J C143 H14L 109.5 . . ?
H14K C143 H14L 109.5 . . ?
C141 C144 H14M 109.5 . . ?
C141 C144 H14N 109.5 . . ?
C141 C144 H14O 109.5 . . ?
H14M C144 H14N 109.5 . . ?
H14M C144 H14O 109.5 . . ?
H14N C144 H14O 109.5 . . ?
Cu4 C145 Au5 89.0(4) . . ?
Cu4A C145 Au5 91.7(4) . . ?
C146 C145 Au5 175.6(8) . . ?
C146 C145 Cu4 86.7(7) . . ?
C146 C145 Cu4A 86.7(7) . . ?
C145 C146 Cu4 61.4(5) . . ?
C145 C146 Cu4A 62.0(6) . . ?
C145 C146 C147 166.8(10) . . ?
C147 C146 Cu4 129.3(6) . . ?
C147 C146 Cu4A 129.5(7) . . ?
C148 C147 C146 121.0(8) . . ?
C148 C147 C152 118.2(8) . . ?
C152 C147 C146 120.8(8) . . ?
C147 C148 H148 119.4 . . ?
C149 C148 C147 121.1(9) . . ?
C149 C148 H148 119.4 . . ?
C148 C149 C150 118.8(8) . . ?
C148 C149 C153 121.2(10) . . ?
C150 C149 C153 119.8(8) . . ?
C149 C150 H150 118.7 . . ?
C149 C150 C151 122.6(8) . . ?
C151 C150 H150 118.7 . . ?
C150 C151 C157 120.6(7) . . ?
C152 C151 C150 117.8(8) . . ?
C152 C151 C157 121.4(7) . . ?
C147 C152 H152 119.4 . . ?
C151 C152 C147 121.2(8) . . ?
C151 C152 H152 119.4 . . ?
C149 C153 C155 108.0(10) . . ?
C154 C153 C149 108.6(10) . . ?
C154 C153 C155 105.3(10) . . ?
C156 C153 C149 111.3(9) . . ?
C156 C153 C154 119.4(12) . . ?
C156 C153 C155 103.4(10) . . ?
C153 C154 H15D 109.5 . . ?
C153 C154 H15E 109.5 . . ?
C153 C154 H15F 109.5 . . ?
H15D C154 H15E 109.5 . . ?
H15D C154 H15F 109.5 . . ?
H15E C154 H15F 109.5 . . ?
C153 C155 H15G 109.5 . . ?
C153 C155 H15H 109.5 . . ?
C153 C155 H15I 109.5 . . ?
H15G C155 H15H 109.5 . . ?
H15G C155 H15I 109.5 . . ?
H15H C155 H15I 109.5 . . ?
C153 C156 H15J 109.5 . . ?
C153 C156 H15K 109.5 . . ?
C153 C156 H15L 109.5 . . ?
H15J C156 H15K 109.5 . . ?
H15J C156 H15L 109.5 . . ?
H15K C156 H15L 109.5 . . ?
C151 C157 C158 108.3(8) . . ?
C151 C157 C160 110.9(7) . . ?
C159 C157 C151 115.7(9) . . ?
C159 C157 C158 106.5(10) . . ?
C159 C157 C160 109.8(10) . . ?
C160 C157 C158 105.0(8) . . ?
C157 C158 H15M 109.5 . . ?
C157 C158 H15N 109.5 . . ?
C157 C158 H15O 109.5 . . ?
H15M C158 H15N 109.5 . . ?
H15M C158 H15O 109.5 . . ?
H15N C158 H15O 109.5 . . ?
C157 C159 H15P 109.5 . . ?
C157 C159 H15Q 109.5 . . ?
C157 C159 H15R 109.5 . . ?
H15P C159 H15Q 109.5 . . ?
H15P C159 H15R 109.5 . . ?
H15Q C159 H15R 109.5 . . ?
C157 C160 H16D 109.5 . . ?
C157 C160 H16E 109.5 . . ?
C157 C160 H16F 109.5 . . ?
H16D C160 H16E 109.5 . . ?
H16D C160 H16F 109.5 . . ?
H16E C160 H16F 109.5 . . ?
Au6 C161 Ag1 85.4(2) . . ?
Cu3 C161 Au6 85.4(2) . . ?
Cu3 C161 Ag1 113.6(3) . . ?
C162 C161 Au6 167.6(6) . . ?
C162 C161 Ag1 106.4(4) . . ?
C162 C161 Cu3 86.1(5) . . ?
C161 C162 Cu3 61.0(4) . . ?
C161 C162 C163 176.0(7) . . ?
C163 C162 Cu3 120.4(5) . . ?
C164 C163 C162 119.9(6) . . ?
C164 C163 C168 119.8(6) . . ?
C168 C163 C162 120.2(6) . . ?
C163 C164 H164 119.3 . . ?
C163 C164 C165 121.3(7) . . ?
C165 C164 H164 119.3 . . ?
C164 C165 C166 117.4(7) . . ?
C164 C165 C169 120.0(7) . . ?
C166 C165 C169 122.6(7) . . ?
C165 C166 H166 118.4 . . ?
C165 C166 C167 123.2(7) . . ?
C167 C166 H166 118.4 . . ?
C166 C167 C173 122.5(7) . . ?
C168 C167 C166 117.8(7) . . ?
C168 C167 C173 119.7(7) . . ?
C163 C168 H168 119.9 . . ?
C167 C168 C163 120.2(7) . . ?
C167 C168 H168 119.9 . . ?
C165 C169 C170 107.1(6) . . ?
C165 C169 C172 110.8(7) . . ?
C171 C169 C165 112.6(7) . . ?
C171 C169 C170 110.1(7) . . ?
C171 C169 C172 110.0(7) . . ?
C172 C169 C170 106.1(7) . . ?
C169 C170 H17A 109.5 . . ?
C169 C170 H17B 109.5 . . ?
C169 C170 H17C 109.5 . . ?
H17A C170 H17B 109.5 . . ?
H17A C170 H17C 109.5 . . ?
H17B C170 H17C 109.5 . . ?
C169 C171 H17D 109.5 . . ?
C169 C171 H17E 109.5 . . ?
C169 C171 H17F 109.5 . . ?
H17D C171 H17E 109.5 . . ?
H17D C171 H17F 109.5 . . ?
H17E C171 H17F 109.5 . . ?
C169 C172 H17G 109.5 . . ?
C169 C172 H17H 109.5 . . ?
C169 C172 H17I 109.5 . . ?
H17G C172 H17H 109.5 . . ?
H17G C172 H17I 109.5 . . ?
H17H C172 H17I 109.5 . . ?
C167 C173 C174 109.3(7) . . ?
C167 C173 C175 111.3(7) . . ?
C174 C173 C175 111.6(9) . . ?
C176 C173 C167 110.0(8) . . ?
C176 C173 C174 109.9(8) . . ?
C176 C173 C175 104.6(8) . . ?
C173 C174 H17J 109.5 . . ?
C173 C174 H17K 109.5 . . ?
C173 C174 H17L 109.5 . . ?
H17J C174 H17K 109.5 . . ?
H17J C174 H17L 109.5 . . ?
H17K C174 H17L 109.5 . . ?
C173 C175 H17M 109.5 . . ?
C173 C175 H17N 109.5 . . ?
C173 C175 H17O 109.5 . . ?
H17M C175 H17N 109.5 . . ?
H17M C175 H17O 109.5 . . ?
H17N C175 H17O 109.5 . . ?
C173 C176 H17P 109.5 . . ?
C173 C176 H17Q 109.5 . . ?
C173 C176 H17R 109.5 . . ?
H17P C176 H17Q 109.5 . . ?
H17P C176 H17R 109.5 . . ?
H17Q C176 H17R 109.5 . . ?
Au6 C177 Ag3 83.8(2) . . ?
C178 C177 Au6 172.8(7) . . ?
C178 C177 Ag3 97.9(5) . . ?
C177 C178 C179 176.1(7) . . ?
C178 C179 C184 121.7(6) . . ?
C180 C179 C178 120.1(6) . . ?
C180 C179 C184 118.0(6) . . ?
C179 C180 H180 119.2 . . ?
C179 C180 C181 121.6(6) . . ?
C181 C180 H180 119.2 . . ?
C180 C181 C185 122.0(6) . . ?
C182 C181 C180 115.8(6) . . ?
C182 C181 C185 122.2(6) . . ?
C181 C182 H182 118.1 . . ?
C183 C182 C181 123.7(7) . . ?
C183 C182 H182 118.1 . . ?
C182 C183 C189 120.5(7) . . ?
C182 C183 C365 120.0(7) . . ?
C184 C183 C182 118.5(7) . . ?
C184 C183 C189 120.5(7) . . ?
C184 C183 C365 121.1(7) . . ?
C179 C184 H184 118.8 . . ?
C183 C184 C179 122.3(7) . . ?
C183 C184 H184 118.8 . . ?
C181 C185 C188 108.3(7) . . ?
C186 C185 C181 112.2(7) . . ?
C186 C185 C188 109.1(8) . . ?
C187 C185 C181 111.4(7) . . ?
C187 C185 C186 108.8(8) . . ?
C187 C185 C188 106.9(8) . . ?
C185 C186 H18A 109.5 . . ?
C185 C186 H18B 109.5 . . ?
C185 C186 H18C 109.5 . . ?
H18A C186 H18B 109.5 . . ?
H18A C186 H18C 109.5 . . ?
H18B C186 H18C 109.5 . . ?
C185 C187 H18D 109.5 . . ?
C185 C187 H18E 109.5 . . ?
C185 C187 H18F 109.5 . . ?
H18D C187 H18E 109.5 . . ?
H18D C187 H18F 109.5 . . ?
H18E C187 H18F 109.5 . . ?
C185 C188 H18G 109.5 . . ?
C185 C188 H18H 109.5 . . ?
C185 C188 H18I 109.5 . . ?
H18G C188 H18H 109.5 . . ?
H18G C188 H18I 109.5 . . ?
H18H C188 H18I 109.5 . . ?
C190 C189 C183 111.9(9) . . ?
C190 C189 C192 107.3(10) . . ?
C191 C189 C183 104.9(8) . . ?
C191 C189 C190 107.4(10) . . ?
C191 C189 C192 111.3(10) . . ?
C192 C189 C183 113.9(9) . . ?
C189 C190 H19A 109.5 . . ?
C189 C190 H19B 109.5 . . ?
C189 C190 H19C 109.5 . . ?
H19A C190 H19B 109.5 . . ?
H19A C190 H19C 109.5 . . ?
H19B C190 H19C 109.5 . . ?
C189 C191 H19D 109.5 . . ?
C189 C191 H19E 109.5 . . ?
C189 C191 H19F 109.5 . . ?
H19D C191 H19E 109.5 . . ?
H19D C191 H19F 109.5 . . ?
H19E C191 H19F 109.5 . . ?
C189 C192 H19G 109.5 . . ?
C189 C192 H19H 109.5 . . ?
C189 C192 H19I 109.5 . . ?
H19G C192 H19H 109.5 . . ?
H19G C192 H19I 109.5 . . ?
H19H C192 H19I 109.5 . . ?
Au7 C193 Ag1 94.3(3) . . ?
Au7 C193 Cu1A 84.0(2) . . ?
Cu1A C193 Ag1 101.4(3) . . ?
C194 C193 Au7 171.5(6) . . ?
C194 C193 Ag1 91.9(5) . . ?
C194 C193 Cu1A 89.1(5) . . ?
C193 C194 Cu1A 59.8(4) . . ?
C193 C194 C195 179.0(7) . . ?
C195 C194 Cu1A 120.9(5) . . ?
C194 C195 C196 117.8(6) . . ?
C200 C195 C194 121.5(6) . . ?
C200 C195 C196 120.6(6) . . ?
C195 C196 H196 121.1 . . ?
C197 C196 C195 117.8(6) . . ?
C197 C196 H196 121.1 . . ?
C196 C197 C198 119.8(6) . . ?
C196 C197 C201 120.8(6) . . ?
C198 C197 C201 119.4(6) . . ?
C197 C198 H198 117.8 . . ?
C199 C198 C197 124.5(7) . . ?
C199 C198 H198 117.8 . . ?
C198 C199 C200 116.0(6) . . ?
C198 C199 C205 122.2(6) . . ?
C200 C199 C205 121.6(6) . . ?
C195 C200 C199 121.1(6) . . ?
C195 C200 H200 119.5 . . ?
C199 C200 H200 119.5 . . ?
C202 C201 C197 113.3(7) . . ?
C202 C201 C203 107.1(8) . . ?
C203 C201 C197 108.8(7) . . ?
C204 C201 C197 110.3(7) . . ?
C204 C201 C202 109.0(7) . . ?
C204 C201 C203 108.2(8) . . ?
C201 C202 H20A 109.5 . . ?
C201 C202 H20B 109.5 . . ?
C201 C202 H20C 109.5 . . ?
H20A C202 H20B 109.5 . . ?
H20A C202 H20C 109.5 . . ?
H20B C202 H20C 109.5 . . ?
C201 C203 H20D 109.5 . . ?
C201 C203 H20E 109.5 . . ?
C201 C203 H20F 109.5 . . ?
H20D C203 H20E 109.5 . . ?
H20D C203 H20F 109.5 . . ?
H20E C203 H20F 109.5 . . ?
C201 C204 H20G 109.5 . . ?
C201 C204 H20H 109.5 . . ?
C201 C204 H20I 109.5 . . ?
H20G C204 H20H 109.5 . . ?
H20G C204 H20I 109.5 . . ?
H20H C204 H20I 109.5 . . ?
C199 C205 C208 110.5(6) . . ?
C206 C205 C199 111.9(6) . . ?
C206 C205 C207 110.2(8) . . ?
C206 C205 C208 107.5(7) . . ?
C207 C205 C199 108.5(7) . . ?
C207 C205 C208 108.3(7) . . ?
C205 C206 H20J 109.5 . . ?
C205 C206 H20K 109.5 . . ?
C205 C206 H20L 109.5 . . ?
H20J C206 H20K 109.5 . . ?
H20J C206 H20L 109.5 . . ?
H20K C206 H20L 109.5 . . ?
C205 C207 H20M 109.5 . . ?
C205 C207 H20N 109.5 . . ?
C205 C207 H20O 109.5 . . ?
H20M C207 H20N 109.5 . . ?
H20M C207 H20O 109.5 . . ?
H20N C207 H20O 109.5 . . ?
C205 C208 H20P 109.5 . . ?
C205 C208 H20Q 109.5 . . ?
C205 C208 H20R 109.5 . . ?
H20P C208 H20Q 109.5 . . ?
H20P C208 H20R 109.5 . . ?
H20Q C208 H20R 109.5 . . ?
Au7 C209 Ag2 95.7(2) . . ?
Au7 C209 Ag4 80.6(2) . . ?
Ag2 C209 Ag4 97.4(2) . . ?
C210 C209 Au7 173.0(6) . . ?
C210 C209 Ag2 89.4(5) . . ?
C210 C209 Ag4 103.6(5) . . ?
C209 C210 C211 175.6(7) . . ?
C212 C211 C210 118.1(6) . . ?
C216 C211 C210 121.0(5) . . ?
C216 C211 C212 120.9(6) . . ?
C211 C212 H212 120.0 . . ?
C213 C212 C211 119.9(7) . . ?
C213 C212 H212 120.0 . . ?
C212 C213 C214 118.8(7) . . ?
C212 C213 C217 122.4(7) . . ?
C214 C213 C217 118.8(7) . . ?
C213 C214 H214 118.9 . . ?
C213 C214 C215 122.3(7) . . ?
C215 C214 H214 118.9 . . ?
C214 C215 C221 118.3(6) . . ?
C216 C215 C214 119.2(6) . . ?
C216 C215 C221 122.5(6) . . ?
C211 C216 H216 120.5 . . ?
C215 C216 C211 119.0(6) . . ?
C215 C216 H216 120.5 . . ?
C213 C217 C219 105.7(9) . . ?
C218 C217 C213 113.2(8) . . ?
C218 C217 C219 100.6(9) . . ?
C220 C217 C213 113.1(8) . . ?
C220 C217 C218 118.5(11) . . ?
C220 C217 C219 103.4(9) . . ?
C217 C218 H21A 109.5 . . ?
C217 C218 H21B 109.5 . . ?
C217 C218 H21C 109.5 . . ?
H21A C218 H21B 109.5 . . ?
H21A C218 H21C 109.5 . . ?
H21B C218 H21C 109.5 . . ?
C217 C219 H21D 109.5 . . ?
C217 C219 H21E 109.5 . . ?
C217 C219 H21F 109.5 . . ?
H21D C219 H21E 109.5 . . ?
H21D C219 H21F 109.5 . . ?
H21E C219 H21F 109.5 . . ?
C217 C220 H22A 109.5 . . ?
C217 C220 H22B 109.5 . . ?
C217 C220 H22C 109.5 . . ?
H22A C220 H22B 109.5 . . ?
H22A C220 H22C 109.5 . . ?
H22B C220 H22C 109.5 . . ?
C215 C221 C224 111.1(6) . . ?
C222 C221 C215 110.5(6) . . ?
C222 C221 C223 109.3(7) . . ?
C222 C221 C224 107.5(7) . . ?
C223 C221 C215 109.3(7) . . ?
C223 C221 C224 109.0(7) . . ?
C221 C222 H22D 109.5 . . ?
C221 C222 H22E 109.5 . . ?
C221 C222 H22F 109.5 . . ?
H22D C222 H22E 109.5 . . ?
H22D C222 H22F 109.5 . . ?
H22E C222 H22F 109.5 . . ?
C221 C223 H22G 109.5 . . ?
C221 C223 H22H 109.5 . . ?
C221 C223 H22I 109.5 . . ?
H22G C223 H22H 109.5 . . ?
H22G C223 H22I 109.5 . . ?
H22H C223 H22I 109.5 . . ?
C221 C224 H22J 109.5 . . ?
C221 C224 H22K 109.5 . . ?
C221 C224 H22L 109.5 . . ?
H22J C224 H22K 109.5 . . ?
H22J C224 H22L 109.5 . . ?
H22K C224 H22L 109.5 . . ?
Au8 C225 Ag4 85.0(2) . . ?
C226 C225 Au8 174.0(6) . . ?
C226 C225 Ag4 95.8(5) . . ?
C225 C226 C227 175.2(8) . . ?
C228 C227 C226 120.2(6) . . ?
C228 C227 C232 122.0(6) . . ?
C232 C227 C226 117.7(7) . . ?
C227 C228 H228 119.9 . . ?
C227 C228 C229 120.3(6) . . ?
C229 C228 H228 119.9 . . ?
C228 C229 C230 118.7(7) . . ?
C228 C229 C233 122.2(7) . . ?
C230 C229 C233 119.1(7) . . ?
C229 C230 H230 118.9 . . ?
C231 C230 C229 122.2(7) . . ?
C231 C230 H230 118.9 . . ?
C230 C231 C232 117.8(7) . . ?
C230 C231 C237 121.6(7) . . ?
C232 C231 C237 120.6(7) . . ?
C227 C232 C231 118.8(7) . . ?
C227 C232 H232 120.6 . . ?
C231 C232 H232 120.6 . . ?
C234 C233 C229 109.7(7) . . ?
C235 C233 C229 109.6(8) . . ?
C235 C233 C234 109.2(10) . . ?
C235 C233 C236 111.3(10) . . ?
C236 C233 C229 108.0(8) . . ?
C236 C233 C234 109.0(9) . . ?
C233 C234 H23A 109.5 . . ?
C233 C234 H23B 109.5 . . ?
C233 C234 H23C 109.5 . . ?
H23A C234 H23B 109.5 . . ?
H23A C234 H23C 109.5 . . ?
H23B C234 H23C 109.5 . . ?
C233 C235 H23D 109.5 . . ?
C233 C235 H23E 109.5 . . ?
C233 C235 H23F 109.5 . . ?
H23D C235 H23E 109.5 . . ?
H23D C235 H23F 109.5 . . ?
H23E C235 H23F 109.5 . . ?
C233 C236 H23G 109.5 . . ?
C233 C236 H23H 109.5 . . ?
C233 C236 H23I 109.5 . . ?
H23G C236 H23H 109.5 . . ?
H23G C236 H23I 109.5 . . ?
H23H C236 H23I 109.5 . . ?
C231 C237 C238 108.8(9) . . ?
C239 C237 C231 109.3(8) . . ?
C239 C237 C238 114.2(9) . . ?
C239 C237 C240 112.0(11) . . ?
C240 C237 C231 112.4(8) . . ?
C240 C237 C238 99.7(9) . . ?
C237 C238 H23J 109.5 . . ?
C237 C238 H23K 109.5 . . ?
C237 C238 H23L 109.5 . . ?
H23J C238 H23K 109.5 . . ?
H23J C238 H23L 109.5 . . ?
H23K C238 H23L 109.5 . . ?
C237 C239 H23M 109.5 . . ?
C237 C239 H23N 109.5 . . ?
C237 C239 H23O 109.5 . . ?
H23M C239 H23N 109.5 . . ?
H23M C239 H23O 109.5 . . ?
H23N C239 H23O 109.5 . . ?
C237 C240 H24A 109.5 . . ?
C237 C240 H24B 109.5 . . ?
C237 C240 H24C 109.5 . . ?
H24A C240 H24B 109.5 . . ?
H24A C240 H24C 109.5 . . ?
H24B C240 H24C 109.5 . . ?
Au8 C241 Ag2 84.1(3) . . ?
Cu4 C241 Au8 85.3(3) . . ?
Cu4 C241 Ag2 119.1(3) . . ?
C242 C241 Au8 168.6(6) . . ?
C242 C241 Ag2 106.4(5) . . ?
C242 C241 Cu4 85.6(5) . . ?
C241 C242 Cu4 60.9(4) . . ?
C241 C242 C243 175.1(7) . . ?
C243 C242 Cu4 120.1(5) . . ?
C242 C243 C244 121.0(7) . . ?
C242 C243 C248 121.1(6) . . ?
C248 C243 C244 117.9(7) . . ?
C243 C244 H244 118.7 . . ?
C245 C244 C243 122.5(8) . . ?
C245 C244 H244 118.7 . . ?
C244 C245 C246 118.7(7) . . ?
C244 C245 C249 121.6(8) . . ?
C244 C245 C347 120.3(8) . . ?
C246 C245 C249 119.2(8) . . ?
C246 C245 C347 119.8(9) . . ?
C245 C246 H246 118.8 . . ?
C245 C246 C247 122.4(8) . . ?
C247 C246 H246 118.8 . . ?
C246 C247 C253 124.0(8) . . ?
C246 C247 C358 115.8(12) . . ?
C248 C247 C246 117.4(7) . . ?
C248 C247 C253 118.7(8) . . ?
C248 C247 C358 125.3(12) . . ?
C243 C248 H248 119.5 . . ?
C247 C248 C243 120.9(7) . . ?
C247 C248 H248 119.5 . . ?
C250 C249 C245 115.3(11) . . ?
C250 C249 C251 107.2(12) . . ?
C251 C249 C245 112.7(10) . . ?
C252 C249 C245 103.9(10) . . ?
C252 C249 C250 108.6(10) . . ?
C252 C249 C251 109.0(12) . . ?
C249 C250 H25A 109.5 . . ?
C249 C250 H25B 109.5 . . ?
C249 C250 H25C 109.5 . . ?
H25A C250 H25B 109.5 . . ?
H25A C250 H25C 109.5 . . ?
H25B C250 H25C 109.5 . . ?
C249 C251 H25D 109.5 . . ?
C249 C251 H25E 109.5 . . ?
C249 C251 H25F 109.5 . . ?
H25D C251 H25E 109.5 . . ?
H25D C251 H25F 109.5 . . ?
H25E C251 H25F 109.5 . . ?
C249 C252 H25G 109.5 . . ?
C249 C252 H25H 109.5 . . ?
C249 C252 H25I 109.5 . . ?
H25G C252 H25H 109.5 . . ?
H25G C252 H25I 109.5 . . ?
H25H C252 H25I 109.5 . . ?
C247 C253 C255 111.7(10) . . ?
C247 C253 C256 108.1(10) . . ?
C254 C253 C247 110.8(10) . . ?
C254 C253 C255 107.8(10) . . ?
C254 C253 C256 109.4(11) . . ?
C256 C253 C255 108.9(11) . . ?
C253 C254 H25J 109.5 . . ?
C253 C254 H25K 109.5 . . ?
C253 C254 H25L 109.5 . . ?
H25J C254 H25K 109.5 . . ?
H25J C254 H25L 109.5 . . ?
H25K C254 H25L 109.5 . . ?
C253 C255 H25M 109.5 . . ?
C253 C255 H25N 109.5 . . ?
C253 C255 H25O 109.5 . . ?
H25M C255 H25N 109.5 . . ?
H25M C255 H25O 109.5 . . ?
H25N C255 H25O 109.5 . . ?
C253 C256 H25P 109.5 . . ?
C253 C256 H25Q 109.5 . . ?
C253 C256 H25R 109.5 . . ?
H25P C256 H25Q 109.5 . . ?
H25P C256 H25R 109.5 . . ?
H25Q C256 H25R 109.5 . . ?
C348 C347 C245 110.9(11) . . ?
C349 C347 C245 111.1(11) . . ?
C349 C347 C348 112.0(13) . . ?
C349 C347 C350 109.0(12) . . ?
C350 C347 C245 103.9(11) . . ?
C350 C347 C348 109.6(11) . . ?
C347 C348 H34A 109.5 . . ?
C347 C348 H34B 109.5 . . ?
C347 C348 H34C 109.5 . . ?
H34A C348 H34B 109.5 . . ?
H34A C348 H34C 109.5 . . ?
H34B C348 H34C 109.5 . . ?
C347 C349 H34D 109.5 . . ?
C347 C349 H34E 109.5 . . ?
C347 C349 H34F 109.5 . . ?
H34D C349 H34E 109.5 . . ?
H34D C349 H34F 109.5 . . ?
H34E C349 H34F 109.5 . . ?
C347 C350 H35A 109.5 . . ?
C347 C350 H35B 109.5 . . ?
C347 C350 H35C 109.5 . . ?
H35A C350 H35B 109.5 . . ?
H35A C350 H35C 109.5 . . ?
H35B C350 H35C 109.5 . . ?
H35D C351 H35E 109.5 . . ?
H35D C351 H35F 109.5 . . ?
H35E C351 H35F 109.5 . . ?
C10A C351 H35D 109.5 . . ?
C10A C351 H35E 109.5 . . ?
C10A C351 H35F 109.5 . . ?
H35G C352 H35H 109.5 . . ?
H35G C352 H35I 109.5 . . ?
H35H C352 H35I 109.5 . . ?
C10A C352 H35G 109.5 . . ?
C10A C352 H35H 109.5 . . ?
C10A C352 H35I 109.5 . . ?
H35J C353 H35K 109.5 . . ?
H35J C353 H35L 109.5 . . ?
H35K C353 H35L 109.5 . . ?
C10A C353 H35J 109.5 . . ?
C10A C353 H35K 109.5 . . ?
C10A C353 H35L 109.5 . . ?
C355 C354 C55 122.6(11) . . ?
C355 C354 C356 110.0(16) . . ?
C355 C354 C357 108.9(13) . . ?
C356 C354 C55 105.8(14) . . ?
C356 C354 C357 111.0(14) . . ?
C357 C354 C55 97.8(11) . . ?
C354 C355 H35M 109.5 . . ?
C354 C355 H35N 109.5 . . ?
C354 C355 H35O 109.5 . . ?
H35M C355 H35N 109.5 . . ?
H35M C355 H35O 109.5 . . ?
H35N C355 H35O 109.5 . . ?
C354 C356 H35P 109.5 . . ?
C354 C356 H35Q 109.5 . . ?
C354 C356 H35R 109.5 . . ?
H35P C356 H35Q 109.5 . . ?
H35P C356 H35R 109.5 . . ?
H35Q C356 H35R 109.5 . . ?
C354 C357 H35S 109.5 . . ?
C354 C357 H35T 109.5 . . ?
C354 C357 H35U 109.5 . . ?
H35S C357 H35T 109.5 . . ?
H35S C357 H35U 109.5 . . ?
H35T C357 H35U 109.5 . . ?
C247 C358 C360 100.6(18) . . ?
C247 C358 C361 105.1(18) . . ?
C359 C358 C247 117(2) . . ?
C359 C358 C360 112(2) . . ?
C359 C358 C361 114(2) . . ?
C361 C358 C360 106.2(19) . . ?
C358 C359 H35V 109.5 . . ?
C358 C359 H35W 109.5 . . ?
C358 C359 H35X 109.5 . . ?
H35V C359 H35W 109.5 . . ?
H35V C359 H35X 109.5 . . ?
H35W C359 H35X 109.5 . . ?
C358 C360 H36A 109.5 . . ?
C358 C360 H36B 109.5 . . ?
C358 C360 H36C 109.5 . . ?
H36A C360 H36B 109.5 . . ?
H36A C360 H36C 109.5 . . ?
H36B C360 H36C 109.5 . . ?
C358 C361 H36D 109.5 . . ?
C358 C361 H36E 109.5 . . ?
C358 C361 H36F 109.5 . . ?
H36D C361 H36E 109.5 . . ?
H36D C361 H36F 109.5 . . ?
H36E C361 H36F 109.5 . . ?
C77 C362 H36G 109.5 . . ?
C77 C362 H36H 109.5 . . ?
C77 C362 H36I 109.5 . . ?
H36G C362 H36H 109.5 . . ?
H36G C362 H36I 109.5 . . ?
H36H C362 H36I 109.5 . . ?
C77 C363 H36J 109.5 . . ?
C77 C363 H36K 109.5 . . ?
C77 C363 H36L 109.5 . . ?
H36J C363 H36K 109.5 . . ?
H36J C363 H36L 109.5 . . ?
H36K C363 H36L 109.5 . . ?
C77 C364 H36M 109.5 . . ?
C77 C364 H36N 109.5 . . ?
C77 C364 H36O 109.5 . . ?
H36M C364 H36N 109.5 . . ?
H36M C364 H36O 109.5 . . ?
H36N C364 H36O 109.5 . . ?
C183 C365 C366 110.8(8) . . ?
C183 C365 C367 112.1(9) . . ?
C183 C365 C368 108.5(10) . . ?
C366 C365 C367 106.6(10) . . ?
C368 C365 C366 113.5(11) . . ?
C368 C365 C367 105.4(10) . . ?
C365 C366 H36P 109.5 . . ?
C365 C366 H36Q 109.5 . . ?
C365 C366 H36R 109.5 . . ?
H36P C366 H36Q 109.5 . . ?
H36P C366 H36R 109.5 . . ?
H36Q C366 H36R 109.5 . . ?
C365 C367 H36S 109.5 . . ?
C365 C367 H36T 109.5 . . ?
C365 C367 H36U 109.5 . . ?
H36S C367 H36T 109.5 . . ?
H36S C367 H36U 109.5 . . ?
H36T C367 H36U 109.5 . . ?
C365 C368 H36V 109.5 . . ?
C365 C368 H36W 109.5 . . ?
C365 C368 H36X 109.5 . . ?
H36V C368 H36W 109.5 . . ?
H36V C368 H36X 109.5 . . ?
H36W C368 H36X 109.5 . . ?
C370 C369 C23 111.3(12) . . ?
C371 C369 C23 103.8(9) . . ?
C371 C369 C370 108.7(12) . . ?
C372 C369 C23 109.8(10) . . ?
C372 C369 C370 111.6(10) . . ?
C372 C369 C371 111.5(12) . . ?
C369 C370 H37A 109.5 . . ?
C369 C370 H37B 109.5 . . ?
C369 C370 H37C 109.5 . . ?
H37A C370 H37B 109.5 . . ?
H37A C370 H37C 109.5 . . ?
H37B C370 H37C 109.5 . . ?
C369 C371 H37D 109.5 . . ?
C369 C371 H37E 109.5 . . ?
C369 C371 H37F 109.5 . . ?
H37D C371 H37E 109.5 . . ?
H37D C371 H37F 109.5 . . ?
H37E C371 H37F 109.5 . . ?
C369 C372 H37G 109.5 . . ?
C369 C372 H37H 109.5 . . ?
C369 C372 H37I 109.5 . . ?
H37G C372 H37H 109.5 . . ?
H37G C372 H37I 109.5 . . ?
H37H C372 H37I 109.5 . . ?
C320 C319 H319 120.0 . . ?
C320 C319 C318 120.0 . . ?
C318 C319 H319 120.0 . . ?
C319 C320 Cl3 121.6(5) . . ?
C321 C320 Cl3 118.3(5) . . ?
C321 C320 C319 120.0 . . ?
C320 C321 H321 120.0 . . ?
C320 C321 C322 120.0 . . ?
C322 C321 H321 120.0 . . ?
C321 C322 C317 120.0 . . ?
C322 C317 H31D 107.3 . . ?
C322 C317 H31E 107.3 . . ?
H31D C317 H31E 106.9 . . ?
C318 C317 C322 120.0 . . ?
C318 C317 H31D 107.3 . . ?
C318 C317 H31E 107.3 . . ?
C319 C318 H318 120.0 . . ?
C317 C318 C319 120.0 . . ?
C317 C318 H318 120.0 . . ?
C309 C308 Cl7 115.7(5) . . ?
C309 C308 C307 120.0 . . ?
C307 C308 Cl7 124.1(6) . . ?
C308 C309 H309 120.0 . . ?
C310 C309 C308 120.0 . . ?
C310 C309 H309 120.0 . . ?
C309 C310 H310 120.0 . . ?
C309 C310 C305 120.0 . . ?
C305 C310 H310 120.0 . . ?
C310 C305 H305 120.0 . . ?
C306 C305 C310 120.0 . . ?
C306 C305 H305 120.0 . . ?
C305 C306 H306 120.0 . . ?
C305 C306 C307 120.0 . . ?
C307 C306 H306 120.0 . . ?
C308 C307 H307 120.0 . . ?
C306 C307 C308 120.0 . . ?
C306 C307 H307 120.0 . . ?
C328 C323 Cl0A 121.3(8) . . ?
C328 C323 C324 120.0 . . ?
C324 C323 Cl0A 118.7(8) . . ?
C323 C328 H328 120.0 . . ?
C327 C328 C323 120.0 . . ?
C327 C328 H328 120.0 . . ?
C328 C327 H327 120.0 . . ?
C326 C327 C328 120.0 . . ?
C326 C327 H327 120.0 . . ?
C327 C326 H326 120.0 . . ?
C327 C326 C325 120.0 . . ?
C325 C326 H326 120.0 . . ?
C326 C325 H325 120.0 . . ?
C324 C325 C326 120.0 . . ?
C324 C325 H325 120.0 . . ?
C323 C324 H324 120.0 . . ?
C325 C324 C323 120.0 . . ?
C325 C324 H324 120.0 . . ?
C282 C281 Cl5 120.7(4) . . ?
C282 C281 C286 120.0 . . ?
C286 C281 Cl5 119.3(4) . . ?
C281 C282 H282 120.0 . . ?
C283 C282 C281 120.0 . . ?
C283 C282 H282 120.0 . . ?
C282 C283 H283 120.0 . . ?
C282 C283 C284 120.0 . . ?
C284 C283 H283 120.0 . . ?
C283 C284 H284 120.0 . . ?
C283 C284 C285 120.0 . . ?
C285 C284 H284 120.0 . . ?
C284 C285 H285 120.0 . . ?
C286 C285 C284 120.0 . . ?
C286 C285 H285 120.0 . . ?
C281 C286 H286 120.0 . . ?
C285 C286 C281 120.0 . . ?
C285 C286 H286 120.0 . . ?
C334 C329 Cl0B 120.0(10) . . ?
C334 C329 C330 120.0 . . ?
C330 C329 Cl0B 120.0(10) . . ?
C329 C334 H334 120.0 . . ?
C329 C334 C333 120.0 . . ?
C333 C334 H334 120.0 . . ?
C334 C333 H333 120.0 . . ?
C334 C333 C332 120.0 . . ?
C332 C333 H333 120.0 . . ?
C333 C332 H332 120.0 . . ?
C331 C332 C333 120.0 . . ?
C331 C332 H332 120.0 . . ?
C332 C331 H331 120.0 . . ?
C332 C331 C330 120.0 . . ?
C330 C331 H331 120.0 . . ?
C329 C330 H330 120.0 . . ?
C331 C330 C329 120.0 . . ?
C331 C330 H330 120.0 . . ?
C288 C287 Cl9 116.3(6) . . ?
C288 C287 C292 120.0 . . ?
C292 C287 Cl9 123.5(6) . . ?
C287 C288 H288 120.0 . . ?
C287 C288 C289 120.0 . . ?
C289 C288 H288 120.0 . . ?
C288 C289 H289 120.0 . . ?
C290 C289 C288 120.0 . . ?
C290 C289 H289 120.0 . . ?
C289 C290 H290 120.0 . . ?
C289 C290 C291 120.0 . . ?
C291 C290 H290 120.0 . . ?
C290 C291 H291 120.0 . . ?
C292 C291 C290 120.0 . . ?
C292 C291 H291 120.0 . . ?
C287 C292 H292 120.0 . . ?
C291 C292 C287 120.0 . . ?
C291 C292 H292 120.0 . . ?
C276 C275 Cl1 116.6(8) . . ?
C276 C275 C280 125.5(10) . . ?
C280 C275 Cl1 117.9(9) . . ?
C275 C276 H276 122.4 . . ?
C275 C276 C277 115.2(9) . . ?
C277 C276 H276 122.4 . . ?
C276 C277 H277 119.0 . . ?
C278 C277 C276 122.0(10) . . ?
C278 C277 H277 119.0 . . ?
C277 C278 H278 121.2 . . ?
C279 C278 C277 117.6(10) . . ?
C279 C278 H278 121.2 . . ?
C278 C279 H279 117.7 . . ?
C278 C279 C280 124.7(10) . . ?
C280 C279 H279 117.7 . . ?
C275 C280 C279 115.1(10) . . ?
C275 C280 H280 122.5 . . ?
C279 C280 H280 122.5 . . ?
C270 C269 Cl4 121.2(11) . . ?
C270 C269 C274 124.7(13) . . ?
C274 C269 Cl4 113.3(10) . . ?
C269 C270 H270 120.5 . . ?
C269 C270 C271 118.9(13) . . ?
C271 C270 H270 120.5 . . ?
C270 C271 H271 118.0 . . ?
C270 C271 C272 124.0(14) . . ?
C272 C271 H271 118.0 . . ?
C271 C272 H272 122.3 . . ?
C271 C272 C273 115.4(13) . . ?
C273 C272 H272 122.3 . . ?
C272 C273 H273 119.2 . . ?
C274 C273 C272 121.5(13) . . ?
C274 C273 H273 119.2 . . ?
C269 C274 H274 122.4 . . ?
C273 C274 C269 115.2(13) . . ?
C273 C274 H274 122.4 . . ?
C312 C313 H313 120.0 . . ?
C312 C313 C314 120.0 . . ?
C314 C313 H313 120.0 . . ?
C313 C312 H312 120.0 . . ?
C313 C312 C311 120.0 . . ?
C311 C312 H312 120.0 . . ?
C312 C311 Cl1A 120.4(12) . . ?
C312 C311 C316 120.0 . . ?
C316 C311 Cl1A 119.6(12) . . ?
C311 C316 H316 120.0 . . ?
C315 C316 C311 120.0 . . ?
C315 C316 H316 120.0 . . ?
C316 C315 H315 120.0 . . ?
C314 C315 C316 120.0 . . ?
C314 C315 H315 120.0 . . ?
C313 C314 H314 120.0 . . ?
C315 C314 C313 120.0 . . ?
C315 C314 H314 120.0 . . ?
C300 C299 Cl6 118.6(5) . . ?
C300 C299 C304 120.0 . . ?
C304 C299 Cl6 121.1(5) . . ?
C299 C300 H300 120.0 . . ?
C301 C300 C299 120.0 . . ?
C301 C300 H300 120.0 . . ?
C300 C301 H301 120.0 . . ?
C302 C301 C300 120.0 . . ?
C302 C301 H301 120.0 . . ?
C301 C302 H302 120.0 . . ?
C301 C302 C303 120.0 . . ?
C303 C302 H302 120.0 . . ?
C302 C303 H303 120.0 . . ?
C304 C303 C302 120.0 . . ?
C304 C303 H303 120.0 . . ?
C299 C304 H304 120.0 . . ?
C303 C304 C299 120.0 . . ?
C303 C304 H304 120.0 . . ?
C268 C263 Cl2 116.0(4) . . ?
C268 C263 C264 120.0 . . ?
C264 C263 Cl2 123.9(4) . . ?
C263 C268 H268 120.0 . . ?
C263 C268 C267 120.0 . . ?
C267 C268 H268 120.0 . . ?
C268 C267 H267 120.0 . . ?
C266 C267 C268 120.0 . . ?
C266 C267 H267 120.0 . . ?
C267 C266 H266 120.0 . . ?
C267 C266 C265 120.0 . . ?
C265 C266 H266 120.0 . . ?
C266 C265 H265 120.0 . . ?
C264 C265 C266 120.0 . . ?
C264 C265 H265 120.0 . . ?
C263 C264 H264 120.0 . . ?
C265 C264 C263 120.0 . . ?
C265 C264 H264 120.0 . . ?
C257 C258 H258 120.0 . . ?
C257 C258 C259 120.0 . . ?
C259 C258 H258 120.0 . . ?
C258 C257 Cl8 120.8(6) . . ?
C262 C257 Cl8 119.2(6) . . ?
C262 C257 C258 120.0 . . ?
C257 C262 H262 120.0 . . ?
C257 C262 C261 120.0 . . ?
C261 C262 H262 120.0 . . ?
C262 C261 H261 120.0 . . ?
C260 C261 C262 120.0 . . ?
C260 C261 H261 120.0 . . ?
C261 C260 H260 120.0 . . ?
C259 C260 C261 120.0 . . ?
C259 C260 H260 120.0 . . ?
C258 C259 H259 120.0 . . ?
C260 C259 C258 120.0 . . ?
C260 C259 H259 120.0 . . ?
C340 C335 Cl2A 118.8(9) . . ?
C340 C335 C336 120.0 . . ?
C336 C335 Cl2A 121.2(9) . . ?
C335 C340 H340 120.0 . . ?
C339 C340 C335 120.0 . . ?
C339 C340 H340 120.0 . . ?
C340 C339 H339 120.0 . . ?
C340 C339 C338 120.0 . . ?
C338 C339 H339 120.0 . . ?
C339 C338 H338 120.0 . . ?
C337 C338 C339 120.0 . . ?
C337 C338 H338 120.0 . . ?
C338 C337 H337 120.0 . . ?
C338 C337 C336 120.0 . . ?
C336 C337 H337 120.0 . . ?
C335 C336 H336 120.0 . . ?
C337 C336 C335 120.0 . . ?
C337 C336 H336 120.0 . . ?
C342 C341 Cl2B 120.7(8) . . ?
C342 C341 C346 120.0 . . ?
C346 C341 Cl2B 119.3(8) . . ?
C341 C342 H342 120.0 . . ?
C343 C342 C341 120.0 . . ?
C343 C342 H342 120.0 . . ?
C342 C343 H343 120.0 . . ?
C342 C343 C344 120.0 . . ?
C344 C343 H343 120.0 . . ?
C343 C344 H344 120.0 . . ?
C343 C344 C345 120.0 . . ?
C345 C344 H344 120.0 . . ?
C344 C345 H345 120.0 . . ?
C346 C345 C344 120.0 . . ?
C346 C345 H345 120.0 . . ?
C341 C346 H346 120.0 . . ?
C345 C346 C341 120.0 . . ?
C345 C346 H346 120.0 . . ?
C294 C293 Cl10 124.0(6) . . ?
C294 C293 C298 120.0 . . ?
C298 C293 Cl10 116.0(6) . . ?
C293 C294 H294 120.0 . . ?
C293 C294 C295 120.0 . . ?
C295 C294 H294 120.0 . . ?
C294 C295 H295 120.0 . . ?
C294 C295 C296 120.0 . . ?
C296 C295 H295 120.0 . . ?
C295 C296 H296 120.0 . . ?
C297 C296 C295 120.0 . . ?
C297 C296 H296 120.0 . . ?
C296 C297 H297 120.0 . . ?
C298 C297 C296 120.0 . . ?
C298 C297 H297 120.0 . . ?
C293 C298 H298 120.0 . . ?
C297 C298 C293 120.0 . . ?
C297 C298 H298 120.0 . . ?
C101 C10A C351 112.5(9) . . ?
C101 C10A C352 106.9(8) . . ?
C101 C10A C353 111.8(9) . . ?
C351 C10A C352 122.3(12) . . ?
C351 C10A C353 97.1(11) . . ?
C353 C10A C352 105.7(11) . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: chlorobenzene'
_exptl_crystal_preparation       ', Luminescent'
####################################################################### 
# 
# 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_cxy660_0m
_database_code_depnum_ccdc_archive 'CCDC 1554171'
_audit_update_record             
;
2017-06-05 deposited with the CCDC.
2017-09-18 downloaded from the CCDC.
;
# end Validation Reply Form
_audit_creation_date             2017-06-05
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        C6-FluoAuAgCu
_chemical_formula_moiety         'C324 H396 Ag2.88 Au6 Cu3.12'
_chemical_formula_sum            'C324 H396 Ag2.88 Au6 Cu3.12'
_chemical_formula_weight         5980.87
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0150 0.0070 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.0960 3.3590 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.8270 6.1600 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   80.200(4)
_cell_length_b                   18.8497(10)
_cell_length_c                   51.113(3)
_cell_angle_alpha                90
_cell_angle_beta                 128.112(2)
_cell_angle_gamma                90
_cell_volume                     60796(6)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9344
_cell_measurement_temperature    200
_cell_measurement_theta_max      64.680
_cell_measurement_theta_min      3.619
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.339
_exptl_absorpt_correction_T_max  0.7526
_exptl_absorpt_correction_T_min  0.5124
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2008/1 (Bruker,2008) was used for absorption correction. wR2(int) was 0.1168 before and 0.0836 after correction. The Ratio of minimum to maximum transmission is 0.6808. The λ/2 correction factor is 0.0015.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.307
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             24318
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0666
_diffrn_reflns_av_unetI/netI     0.0485
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       93
_diffrn_reflns_limit_h_min       -94
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       60
_diffrn_reflns_limit_l_min       -55
_diffrn_reflns_number            306222
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        65.120
_diffrn_reflns_theta_max         65.120
_diffrn_reflns_theta_min         1.400
_diffrn_ambient_temperature      200
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                36970
_reflns_number_total             51468
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.827
_refine_diff_density_min         -1.757
_refine_diff_density_rms         0.114
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3372
_refine_ls_number_reflns         51468
_refine_ls_number_restraints     1326
_refine_ls_R_factor_all          0.1145
_refine_ls_R_factor_gt           0.0827
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.061
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0663P)²+949.8705P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1936
_refine_ls_wR_factor_ref         0.2263
_refine_special_details          ', SQUEEZE'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Shared sites
{Cu1A, Ag1}
{Cu2A, Ag2}
{Ag3, Cu3A}
{Ag6, Cu6A}
{Cu4A, Ag4}
{Cu5A, Ag5}
3. Restrained distances
 C33G-C21G = C22G-C21G = C33G-C34G = C22G-C23G = C35G-C34G = C24G-C23G
 1.54 with sigma of 0.02
 C37G-C38G
 1.54 with sigma of 0.02
 C40L-C3L
 1.54 with sigma of 0.02
 C27L-C14L = C40L-C20L
 1.53 with sigma of 0.02
 C41L-C40L = C41L-C42L = C43L-C42L = C43L-C44L = C44L-C45L = C46L-C45L
 1.54 with sigma of 0.02
 C28L-C27L = C28L-C29L = C30L-C29L = C30L-C31L = C31L-C32L = C33L-C32L = C25L-
 C26L = C24L-C25L = C23L-C24L
 1.53 with sigma of 0.02
 C40L-C39L = C27L-C26L = C25L-C26L = C38L-C39L = C37L-C38L = C24L-C25L = C23L-
 C24L = C36L-C37L = C36L-C35L = C23L-C22L = C21L-C22L = C34L-C35L
 1.54 with sigma of 0.02
 C35G-C36G = C24G-C25G
 1.54 with sigma of 0.02
 C26G-C25G = C27G-C26G
 1.54 with sigma of 0.02
 C37G-C36G
 1.54 with sigma of 0.02
 C25B-C24B = C28B-C24B = C29B-C28B = C30B-C29B = C26B-C25B = C27B-C26B
 1.54 with sigma of 0.02
 C26E-C27E = C28E-C29E = C26E-C25E = C28E-C25E
 1.54 with sigma of 0.02
 C17F-C18F = C30F-C18F = C28F-C29F = C15F-C16F = C30F-C29F = C17F-C16F
 1.54 with sigma of 0.02
 C23F-C31F = C23F-C24F = C32F-C31F = C25F-C24F = C32F-C33F = C25F-C26F = C27F-
 C26F = C34F-C33F
 1.54 with sigma of 0.02
 C16E-C15E
 1.54 with sigma of 0.02
 C32I-C20I = C20I-C19I = C18I-C19I = C31I-C32I = C30I-C31I = C17I-C18I = C30I-
 C29I = C17I-C16I = C16I-C15I = C29I-C28I
 1.54 with sigma of 0.02
 C22D-C23D = C22D-C28D = C5FB-C28D = C24D-C23D = C24D-C25D = C5FB-C29D = C30D-
 C29D = C26D-C25D
 1.54 with sigma of 0.02
 C20G-C32G = C20G-C19G = C31G-C32G = C18G-C19G = C18G-C17G = C31G-C30G = C16G-
 C17G = C30G-C29G = C15G-C16G = C29G-C28G
 1.54 with sigma of 0.02
 C14A-C13A = C14A-C15A = C16A-C15A = C16A-C17A = C18A-C17A = C18A-C19A = C20A-
 C19A = C20A-C21A = C29A-C28A = C29A-C30A = C31A-C30A = C32A-C31A = C32A-C33A =
 C35A-C34A = C35A-C36A = C37A-C36A = C22A-C21A = C25A-C22A = C38A-C37A = C38A-
 C39A = C25A-C23A = C39A-C40A = C23A-C24A
 1.54 with sigma of 0.02
 C22H-C21H = C28H-C21H = C23H-C22H = C29H-C28H = C23H-C24H = C29H-C30H = C31H-
 C30H = C25H-C24H = C32H-C31H = C32H-C33H = C26H-C25H = C26H-C27H
 1.54 with sigma of 0.02
 C24K-C23K = C28K-C23K = C24K-C25K = C28K-C29K = C26K-C25K = C30K-C29K = C26K-
 C27K = C30K-C31K
 1.54 with sigma of 0.02
 C18E-C17E = C16E-C15E
 1.54 with sigma of 0.02
 C16E-C17E
 1.54 with sigma of 0.02
 C16J-C15J = C29J-C28J = C17J-C16J = C30J-C29J = C31J-C30J = C18J-C17J = C32J-
 C31J = C19J-C18J = C33J-C32J = C20J-C19J = C21J-C20J = C34J-C33J = C35J-C34J =
 C22J-C21J = C36J-C35J = C23J-C22J = C37J-C36J = C24J-C23J = C38J-C37J = C25J-
 C24J = C39J-C38J = C46J-C25J = C40J-C39J = C46J-C27J
 1.54 with sigma of 0.02
 Au6-C1I
 2 with sigma of 0.02
 C5I-C2I
 1.46 with sigma of 0.02
 C2I-C1I
 1.2 with sigma of 0.02
 C33I-C23I = C24I-C23I = C25I-C24I = C34I-C33I = C25I-C26I = C34I-C35I = C27I-
 C26I = C35I-C36I
 1.54 with sigma of 0.02
 C18B-C17B = C17B-C16B
 1.54 with sigma of 0.02
 C26C-C27C = C39C-C40C = C39C-C38C = C26C-C25C = C25C-C24C = C38C-C37C = C36C-
 C37C = C23C-C24C = C36C-C35C = C23C-C22C = C35C-C34C = C22C-C21C = C33C-C34C =
 C20C-C21C = C32C-C33C = C19C-C20C = C32C-C31C = C19C-C18C = C17C-C18C = C30C-
 C31C = C30C-C29C = C17C-C16C = C15C-C16C = C28C-C29C
 1.54 with sigma of 0.02
 C21G-C34G
 2.52 with sigma of 0.04
 C21G-C23G
 2.52 with sigma of 0.04
 C33G-C35G = C22G-C24G
 2.52 with sigma of 0.04
 C37G-C35G
 2.52 with sigma of 0.04
 C40L-C42L = C41L-C43L = C44L-C46L = C27L-C29L = C28L-C30L = C31L-C33L
 2.52 with sigma of 0.04
 C42L-C44L = C43L-C45L = C30L-C32L = C31L-C29L
 2.52 with sigma of 0.04
 C40L-C38L = C39L-C37L = C36L-C34L = C27L-C25L = C26L-C24L = C23L-C21L
 2.52 with sigma of 0.04
 C38L-C36L = C37L-C35L = C22L-C24L = C23L-C25L
 2.52 with sigma of 0.04
 C39L-C41L = C28L-C26L
 2.52 with sigma of 0.04
 C36G-C34G = C25G-C23G
 2.52 with sigma of 0.04
 C24G-C26G = C25G-C27G
 2.52 with sigma of 0.04
 C38G-C36G
 2.52 with sigma of 0.04
 C28B-C30B = C25B-C27B = C24B-C29B
 2.52 with sigma of 0.04
 C24B-C26B = C28B-C23B
 2.52 with sigma of 0.04
 C23B-C25B
 2.52 with sigma of 0.04
 C27E-C25E
 2.52 with sigma of 0.04
 C29E-C25E
 2.52 with sigma of 0.04
 C28E-C24E
 2.52 with sigma of 0.04
 C26E-C24E
 2.52 with sigma of 0.04
 C15F-C17F = C28F-C30F = C29F-C18F
 2.52 with sigma of 0.04
 C16F-C18F = C17F-C19F
 2.52 with sigma of 0.04
 C30F-C19F
 2.52 with sigma of 0.04
 C34F-C32F = C33F-C31F = C27F-C25F = C26F-C24F
 2.52 with sigma of 0.04
 C32F-C23F
 2.52 with sigma of 0.04
 C25F-C23F
 2.52 with sigma of 0.04
 C24F-C22F
 2.52 with sigma of 0.04
 C31F-C22F
 2.52 with sigma of 0.04
 C20I-C18I = C19I-C17I
 2.52 with sigma of 0.04
 C18I-C16I = C17I-C15I = C31I-C29I = C30I-C28I = C32I-C21I
 2.52 with sigma of 0.04
 C20I-C31I
 2.52 with sigma of 0.04
 C25I-C27I = C23I-C34I = C33I-C35I = C24I-C22I
 2.52 with sigma of 0.04
 C33I-C22I
 2.52 with sigma of 0.04
 C25C-C23C = C24C-C22C = C21C-C19C = C20C-C18C = C17C-C15C = C38C-C36C = C37C-
 C35C = C34C-C32C = C33C-C31C = C30C-C28C
 2.52 with sigma of 0.04
 C22D-C5FB = C28D-C29D = C23D-C25D = C24D-C26D
 2.52 with sigma of 0.04
 C22D-C24D = C23D-C25D = C28D-C29D = C5FB-C30D
 2.52 with sigma of 0.04
 C20G-C31G = C32G-C30G = C19G-C17G = C18G-C16G
 2.52 with sigma of 0.04
 C20G-C18G = C19G-C17G = C32G-C30G = C31G-C29G
 2.52 with sigma of 0.04
 C17G-C15G = C28G-C30G
 2.52 with sigma of 0.04
 C28A-C30A = C29A-C31A = C32A-C34A = C33A-C35A = C36A-C38A = C37A-C39A = C13A-
 C15A = C14A-C16A = C17A-C19A = C18A-C20A = C21A-C25A = C22A-C23A
 2.52 with sigma of 0.04
 C30A-C32A = C31A-C33A = C34A-C36A = C35A-C37A = C38A-C40A = C15A-C17A = C16A-
 C18A = C19A-C21A = C20A-C22A = C25A-C24A
 2.52 with sigma of 0.04
 C21H-C23H = C22H-C24H = C25H-C27H = C28H-C30H = C29H-C31H
 2.52 with sigma of 0.04
 C21H-C29H = C28H-C30H = C31H-C33H = C22H-C24H = C23H-C25H
 2.52 with sigma of 0.04
 C26H-C24H = C32H-C30H = C25H-C23H = C29H-C31H
 2.52 with sigma of 0.04
 C22K-C28K = C23K-C29K = C24K-C26K = C25K-C27K
 2.52 with sigma of 0.04
 C22K-C24K = C23K-C25K = C28K-C30K = C29K-C31K
 2.52 with sigma of 0.04
 C17J-C15J
 2.52 with sigma of 0.04
 C16J-C18J
 2.52 with sigma of 0.04
 C19J-C21J
 2.52 with sigma of 0.04
 C23J-C25J
 2.52 with sigma of 0.04
 C24J-C46J
 2.52 with sigma of 0.04
 C25J-C27J
 2.52 with sigma of 0.04
 C37J-C39J = C24J-C46J
 2.52 with sigma of 0.04
 C28J-C30J = C29J-C31J = C32J-C34J = C33J-C35J = C36J-C38J = C37J-C39J
 2.52 with sigma of 0.04
 C14L-C28L
 2.6 with sigma of 0.04
 C28L-C3L
 2.6 with sigma of 0.04
 C20J-C18J
 2.52 with sigma of 0.04
 C20J-C22J
 2.52 with sigma of 0.04
 C17J-C19J = C18J-C20J = C21J-C23J = C22J-C24J = C25J-C27J = C30J-C32J = C31J-
 C33J = C34J-C36J = C35J-C37J = C38J-C40J
 2.52 with sigma of 0.04
 C20J-C14J
 2.55 with sigma of 0.04
 C20J-C3J
 2.55 with sigma of 0.04
 C2I-Au6
 3.2 with sigma of 0.04
 H18C-H37F
 2 with sigma of 0.04
 C23I-C25I = C24I-C26I = C33I-C35I = C34I-C36I
 2.52 with sigma of 0.04
 C16B-C18B = C19B-C17B
 2.52 with sigma of 0.04
 H17D-H16E
 2.35 with sigma of 0.04
 H16E-H17C
 2.35 with sigma of 0.04
 C27C-C25C = C26C-C24C = C23C-C21C = C22C-C20C = C19C-C17C = C18C-C16C = C40C-
 C38C = C39C-C37C = C36C-C34C = C35C-C33C = C32C-C30C = C31C-C29C
 2.52 with sigma of 0.04
 H35G-H36G \\sim H35H-H36G
 with sigma of 0.02
 H39C-H40D \\sim H39D-H40D
 with sigma of 0.02
4. Restrained planarity
 C9L, C14L, C13L, C12L, C11L, C10L, C27L
 with sigma of 0.1
 C15L, C20L, C19L, C18L, C17L, C16L, C40L
 with sigma of 0.1
5. Uiso/Uaniso restraints and constraints
C34L \\sim C35L \\sim C36L \\sim C37L \\sim C38L \\sim C39L \\sim C40L \\sim
C41L \\sim C42L \\sim C43L \\sim C44L \\sim C45L \\sim C46L: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C33G \\sim C34G \\sim C35G \\sim C36G \\sim C37G \\sim C38G: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C9L \\sim C14L \\sim C13L \\sim C12L \\sim C11L \\sim C10L: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C22B \\sim C23B \\sim C24B \\sim C25B \\sim C26B \\sim C27B: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C22E \\sim C23E \\sim C24E \\sim C25E \\sim C28E \\sim C29E: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C15F \\sim C16F \\sim C18F \\sim C19F \\sim C20F \\sim C30F: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C22F \\sim C23F \\sim C31F \\sim C32F \\sim C33F \\sim C34F: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
Au1 \\sim C1B \\sim C2B \\sim C26A \\sim C27A: within 2A with sigma of 0.01 and
sigma for terminal atoms of 2.5
C20I \\sim C28I \\sim C29I \\sim C30I \\sim C31I \\sim C32I: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C22I \\sim C23I \\sim C24I \\sim C25I \\sim C26I \\sim C27I: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C15C \\sim C16C \\sim C17C \\sim C18C \\sim C19C \\sim C20C \\sim C21C \\sim
C22C \\sim C23C \\sim C24C \\sim C25C \\sim C26C \\sim C27C: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C21D \\sim C22D \\sim C23D \\sim C24D \\sim C25D \\sim C26D \\sim C27D: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C15G \\sim C16G \\sim C17G \\sim C18G \\sim C19G \\sim C20G \\sim C21G: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C13A \\sim C14A \\sim C15A \\sim C16A \\sim C17A \\sim C18A \\sim C19A \\sim
C20A \\sim C21A \\sim C22A \\sim C23A \\sim C24A \\sim C25A: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C21H \\sim C22H \\sim C23H \\sim C24H \\sim C25H \\sim C26H \\sim C27H: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C21K \\sim C22K \\sim C23K \\sim C24K \\sim C25K \\sim C26K \\sim C27K: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C15E \\sim C16E \\sim C17E \\sim C18E \\sim C19E \\sim C20E: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C28J \\sim C29J \\sim C30J \\sim C31J \\sim C32J \\sim C33J \\sim C34J \\sim
C35J \\sim C36J \\sim C37J \\sim C38J \\sim C39J \\sim C40J: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
Au6 \\sim C1I \\sim C1J \\sim C2I \\sim C2J: within 2A with sigma of 0.01 and
sigma for terminal atoms of 2.5
C16B \\sim C17B \\sim C18B \\sim C19B \\sim C20B: within 2A with sigma of 0.01
and sigma for terminal atoms of 0.02
Uanis(C46L) \\sim Ueq, Uanis(C45L) \\sim Ueq, Uanis(C44L) \\sim Ueq,
Uanis(C43L) \\sim Ueq, Uanis(C42L) \\sim Ueq, Uanis(C41L) \\sim Ueq,
Uanis(C40L) \\sim Ueq, Uanis(C39L) \\sim Ueq, Uanis(C38L) \\sim Ueq,
Uanis(C37L) \\sim Ueq, Uanis(C36L) \\sim Ueq, Uanis(C35L) \\sim Ueq,
Uanis(C34L) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C38G) \\sim Ueq, Uanis(C37G) \\sim Ueq, Uanis(C36G) \\sim Ueq,
Uanis(C35G) \\sim Ueq, Uanis(C34G) \\sim Ueq, Uanis(C33G) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C9L) \\sim Ueq, Uanis(C10L) \\sim Ueq, Uanis(C11L) \\sim Ueq, Uanis(C12L)
\\sim Ueq, Uanis(C13L) \\sim Ueq, Uanis(C14L) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C1I) \\sim Ueq, Uanis(C2I) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C22G) = Uanis(C33G)
Uanis(C23G) = Uanis(C34G)
Uanis(C24G) = Uanis(C35G)
Uanis(C37G) = Uanis(C26G)
Uanis(C38G) = Uanis(C27G)
Uanis(C25B) = Uanis(C28B)
Uanis(C14L) = Uanis(C20L)
Uanis(C13L) = Uanis(C19L)
Uanis(C12L) = Uanis(C18L)
Uanis(C11L) = Uanis(C17L)
Uanis(C10L) = Uanis(C16L)
Uanis(C9L) = Uanis(C15L)
Uanis(C27L) = Uanis(C40L)
Uanis(C28L) = Uanis(C41L)
Uanis(C29L) = Uanis(C42L)
Uanis(C30L) = Uanis(C43L)
Uanis(C31L) = Uanis(C44L)
Uanis(C32L) = Uanis(C45L)
Uanis(C33L) = Uanis(C46L)
Uanis(C26L) = Uanis(C39L)
Uanis(C25L) = Uanis(C38L)
Uanis(C24L) = Uanis(C37L)
Uanis(C23L) = Uanis(C36L)
Uanis(C22L) = Uanis(C35L)
Uanis(C21L) = Uanis(C34L)
Uanis(C36G) = Uanis(C25G)
Uanis(C26B) = Uanis(C29B)
Uanis(C27B) = Uanis(C30B)
Uanis(C26E) = Uanis(C28E)
Uanis(C27E) = Uanis(C29E)
Uanis(C17F) = Uanis(C30F)
Uanis(C16F) = Uanis(C29F)
Uanis(C15F) = Uanis(C28F)
Uanis(C25F) = Uanis(C32F)
Uanis(C26F) = Uanis(C33F)
Uanis(C27F) = Uanis(C34F)
Uanis(C24F) = Uanis(C31F)
Uanis(C19I) = Uanis(C32I)
Uanis(C18I) = Uanis(C31I)
Uanis(C17I) = Uanis(C30I)
Uanis(C16I) = Uanis(C29I)
Uanis(C15I) = Uanis(C28I)
Uanis(C24I) = Uanis(C33I)
Uanis(C25I) = Uanis(C34I)
Uanis(C26I) = Uanis(C35I)
Uanis(C15C) = Uanis(C28C)
Uanis(C16C) = Uanis(C29C)
Uanis(C17C) = Uanis(C30C)
Uanis(C18C) = Uanis(C31C)
Uanis(C19C) = Uanis(C32C)
Uanis(C20C) = Uanis(C33C)
Uanis(C21C) = Uanis(C34C)
Uanis(C22C) = Uanis(C35C)
Uanis(C23C) = Uanis(C36C)
Uanis(C24C) = Uanis(C37C)
Uanis(C25C) = Uanis(C38C)
Uanis(C26C) = Uanis(C39C)
Uanis(C23D) = Uanis(C28D)
Uanis(C24D) = Uanis(C5FB)
Uanis(C25D) = Uanis(C29D)
Uanis(C26D) = Uanis(C30D)
Uanis(C19G) = Uanis(C32G)
Uanis(C18G) = Uanis(C31G)
Uanis(C17G) = Uanis(C30G)
Uanis(C16G) = Uanis(C29G)
Uanis(C15G) = Uanis(C28G)
Uanis(C13A) = Uanis(C28A)
Uanis(C14A) = Uanis(C29A)
Uanis(C15A) = Uanis(C30A)
Uanis(C16A) = Uanis(C31A)
Uanis(C17A) = Uanis(C32A)
Uanis(C18A) = Uanis(C33A)
Uanis(C19A) = Uanis(C34A)
Uanis(C20A) = Uanis(C35A)
Uanis(C21A) = Uanis(C36A)
Uanis(C22A) = Uanis(C37A)
Uanis(C25A) = Uanis(C38A)
Uanis(C23A) = Uanis(C39A)
Uanis(C24A) = Uanis(C40A)
Uanis(C22H) = Uanis(C28H)
Uanis(C23H) = Uanis(C29H)
Uanis(C24H) = Uanis(C30H)
Uanis(C25H) = Uanis(C31H)
Uanis(C26H) = Uanis(C32H)
Uanis(C27H) = Uanis(C33H)
Uanis(C24K) = Uanis(C28K)
Uanis(C25K) = Uanis(C29K)
Uanis(C26K) = Uanis(C30K)
Uanis(C27K) = Uanis(C31K)
Uanis(C27J) = Uanis(C40J)
Uanis(C25J) = Uanis(C38J)
Uanis(C46J) = Uanis(C39J)
Uanis(C19J) = Uanis(C32J)
Uanis(C18J) = Uanis(C31J)
Uanis(C22J) = Uanis(C35J)
Uanis(C17J) = Uanis(C30J)
Uanis(C16J) = Uanis(C29J)
Uanis(C28J) = Uanis(C15J)
Uanis(C24J) = Uanis(C37J)
Uanis(C21J) = Uanis(C34J)
Uanis(C23J) = Uanis(C36J)
Uanis(C20J) = Uanis(C33J)
Uanis(Ag1) = Uanis(Cu1A)
Uanis(Cu1A) = Uanis(Ag1)
Uanis(Ag2) = Uanis(Cu2A)
Uanis(Cu2A) = Uanis(Ag2)
Uanis(Ag3) = Uanis(Cu3A)
Uanis(Ag6) = Uanis(Cu6A)
Uanis(Ag4) = Uanis(Cu4A)
Uanis(Cu4A) = Uanis(Ag4)
Uanis(Ag5) = Uanis(Cu5A)
Uanis(Cu5A) = Uanis(Ag5)
Uanis(C27I) = Uanis(C36I)
Uanis(C27C) = Uanis(C40C)
6. Others
 Sof(C33G)=Sof(H33G)=Sof(H33H)=Sof(C34G)=Sof(H34D)=Sof(H34E)=Sof(C35G)=
 Sof(H35E)=Sof(H35F)=Sof(C36G)=Sof(H36E)=Sof(H36F)=Sof(C37G)=Sof(H37E)=
 Sof(H37F)=Sof(C38G)=Sof(H38E)=Sof(H38F)=Sof(H38G)=1-FVAR(1)
 Sof(C22G)=Sof(H22O)=Sof(H22P)=Sof(C23G)=Sof(H23O)=Sof(H23P)=Sof(C24G)=
 Sof(H24P)=Sof(H24Q)=Sof(C25G)=Sof(H25O)=Sof(H25P)=Sof(C26G)=Sof(H26L)=
 Sof(H26M)=Sof(C27G)=Sof(H27M)=Sof(H27N)=Sof(H27O)=FVAR(1)
 Sof(H24F)=Sof(H24G)=Sof(C28B)=Sof(H28D)=Sof(H28E)=Sof(C29B)=Sof(H29C)=
 Sof(H29D)=1-FVAR(2)
 Sof(H24D)=Sof(H24E)=Sof(C25B)=Sof(H25C)=Sof(H25D)=Sof(C26B)=Sof(H26A)=
 Sof(H26B)=FVAR(2)
 Sof(C15L)=Sof(C20L)=Sof(C19L)=Sof(H19L)=Sof(C18L)=Sof(H18L)=Sof(C17L)=
 Sof(H17L)=Sof(C16L)=Sof(H16L)=Sof(C34L)=Sof(H34H)=Sof(H34I)=Sof(H34J)=
 Sof(C35L)=Sof(H35K)=Sof(H35L)=Sof(C36L)=Sof(H36L)=Sof(H36M)=Sof(C37L)=
 Sof(H37I)=Sof(H37J)=Sof(C38L)=Sof(H38J)=Sof(H38K)=Sof(C39L)=Sof(H39G)=
 Sof(H39H)=Sof(C40L)=Sof(C41L)=Sof(H41A)=Sof(H41B)=Sof(C42L)=Sof(H42A)=
 Sof(H42B)=Sof(C43L)=Sof(H43A)=Sof(H43B)=Sof(C44L)=Sof(H44A)=Sof(H44B)=
 Sof(C45L)=Sof(H45A)=Sof(H45B)=Sof(C46L)=Sof(H46C)=Sof(H46D)=Sof(H46E)=1-FVAR(3)
 Sof(C9L)=Sof(C14L)=Sof(C13L)=Sof(H13L)=Sof(C12L)=Sof(H12L)=Sof(C11L)=
 Sof(H11L)=Sof(C10L)=Sof(H10L)=Sof(C21L)=Sof(H21G)=Sof(H21H)=Sof(H21I)=
 Sof(C22L)=Sof(H22Y)=Sof(HD)=Sof(C23L)=Sof(H23Z)=Sof(HH)=Sof(C24L)=Sof(H24Z)=
 Sof(HI)=Sof(C25L)=Sof(H25Y)=Sof(HJ)=Sof(C26L)=Sof(H26T)=Sof(H26U)=Sof(C27L)=
 Sof(C28L)=Sof(H28)=Sof(HO)=Sof(C29L)=Sof(H29X)=Sof(H29Y)=Sof(C30L)=Sof(H30W)=
 Sof(H30X)=Sof(C31L)=Sof(H31R)=Sof(H31S)=Sof(C32L)=Sof(H32O)=Sof(H32P)=
 Sof(C33L)=Sof(H33P)=Sof(H33Q)=Sof(H33R)=FVAR(3)
 Sof(C30B)=Sof(H30C)=Sof(H30D)=Sof(H30E)=1-FVAR(4)
 Sof(C27B)=Sof(H27A)=Sof(H27B)=Sof(H27C)=FVAR(4)
 Sof(H25K)=Sof(H25L)=Sof(C28E)=Sof(H28K)=Sof(H28L)=Sof(C29E)=Sof(H29I)=
 Sof(H29J)=Sof(H29K)=1-FVAR(5)
 Sof(H25I)=Sof(H25J)=Sof(C26E)=Sof(H26H)=Sof(H26I)=Sof(C27E)=Sof(H27G)=
 Sof(H27H)=Sof(H27I)=FVAR(5)
 Sof(H18N)=Sof(H18O)=Sof(C28F)=Sof(H28M)=Sof(H28N)=Sof(H28O)=Sof(C29F)=
 Sof(H29L)=Sof(H29M)=Sof(C30F)=Sof(H30K)=Sof(H30L)=1-FVAR(6)
 Sof(C15F)=Sof(H15L)=Sof(H15M)=Sof(H15N)=Sof(C16F)=Sof(H16M)=Sof(H16N)=
 Sof(C17F)=Sof(H17K)=Sof(H17M)=Sof(H18K)=Sof(H18M)=FVAR(6)
 Sof(H23M)=Sof(H23N)=Sof(C31F)=Sof(H31E)=Sof(H31F)=Sof(C32F)=Sof(H32E)=
 Sof(H32F)=Sof(C33F)=Sof(H33E)=Sof(H33F)=Sof(C34F)=Sof(H34A)=Sof(H34B)=
 Sof(H34C)=1-FVAR(7)
 Sof(H23K)=Sof(H23L)=Sof(C24F)=Sof(H24N)=Sof(H24O)=Sof(C25F)=Sof(H25M)=
 Sof(H25N)=Sof(C26F)=Sof(H26J)=Sof(H26K)=Sof(C27F)=Sof(H27J)=Sof(H27K)=
 Sof(H27L)=FVAR(7)
 Sof(C28J)=Sof(H28X)=Sof(H28Y)=Sof(HM)=Sof(C29J)=Sof(H29T)=Sof(H29U)=Sof(C30J)=
 Sof(H30S)=Sof(H30T)=Sof(C31J)=Sof(H31M)=Sof(H31N)=Sof(C32J)=Sof(H32M)=
 Sof(H32N)=Sof(C33J)=Sof(H33N)=Sof(H33O)=Sof(C34J)=Sof(C35J)=Sof(H35I)=
 Sof(H35J)=Sof(C36J)=Sof(H36J)=Sof(H36K)=Sof(C37J)=Sof(H37G)=Sof(H37H)=
 Sof(C38J)=Sof(H38H)=Sof(H38I)=Sof(C39J)=Sof(H39E)=Sof(H39F)=Sof(C40J)=
 Sof(H40G)=Sof(H40H)=Sof(H40I)=1-FVAR(8)
 Sof(C15J)=Sof(H15X)=Sof(H15Y)=Sof(H)=Sof(C16J)=Sof(H16U)=Sof(H16V)=Sof(C17J)=
 Sof(H17T)=Sof(H17U)=Sof(C18J)=Sof(H18V)=Sof(H18W)=Sof(C19J)=Sof(H19R)=
 Sof(H19S)=Sof(C20J)=Sof(H20W)=Sof(H20X)=Sof(C21J)=Sof(C22J)=Sof(H22U)=
 Sof(H22V)=Sof(C23J)=Sof(H23W)=Sof(H23X)=Sof(C24J)=Sof(H24V)=Sof(H24W)=
 Sof(C25J)=Sof(H25U)=Sof(H25V)=Sof(C46J)=Sof(H46A)=Sof(H46B)=Sof(C27J)=
 Sof(H27V)=Sof(H27W)=Sof(H27X)=FVAR(8)
 Sof(H20U)=Sof(H20V)=Sof(C28I)=Sof(H28U)=Sof(H28V)=Sof(H28W)=Sof(C29I)=
 Sof(H29R)=Sof(H29S)=Sof(C30I)=Sof(H30Q)=Sof(H30R)=Sof(C31I)=Sof(H31K)=
 Sof(H31L)=Sof(C32I)=Sof(H32K)=Sof(H32L)=1-FVAR(9)
 Sof(C15I)=Sof(H15U)=Sof(H15V)=Sof(H15W)=Sof(C16I)=Sof(H16S)=Sof(H16T)=
 Sof(C17I)=Sof(H17R)=Sof(H17S)=Sof(C18I)=Sof(H18T)=Sof(H18U)=Sof(C19I)=
 Sof(H19P)=Sof(H19Q)=Sof(H20S)=Sof(H20T)=FVAR(9)
 Sof(H23U)=Sof(H23V)=Sof(C33I)=Sof(H33L)=Sof(H33M)=Sof(C34I)=Sof(H34F)=
 Sof(H34G)=Sof(C35I)=Sof(H35G)=Sof(H35H)=Sof(C36I)=Sof(H36G)=Sof(H36H)=
 Sof(H36I)=1-FVAR(10)
 Sof(H23S)=Sof(H23T)=Sof(C24I)=Sof(H24T)=Sof(H24U)=Sof(C25I)=Sof(H25S)=
 Sof(H25T)=Sof(C26I)=Sof(H26P)=Sof(H26Q)=Sof(C27I)=Sof(H27S)=Sof(H27T)=
 Sof(H27U)=FVAR(10)
 Sof(C28C)=Sof(H28F)=Sof(H28G)=Sof(H28H)=Sof(C29C)=Sof(H29E)=Sof(H29F)=
 Sof(C30C)=Sof(H30F)=Sof(H30G)=Sof(C31C)=Sof(H31C)=Sof(H31D)=Sof(C32C)=
 Sof(H32C)=Sof(H32D)=Sof(C33C)=Sof(H33C)=Sof(H33D)=Sof(C34C)=Sof(C35C)=
 Sof(H35C)=Sof(H35D)=Sof(C36C)=Sof(H36C)=Sof(H36D)=Sof(C37C)=Sof(H37C)=
 Sof(H37D)=Sof(C38C)=Sof(H38C)=Sof(H38D)=Sof(C39C)=Sof(H39C)=Sof(H39D)=
 Sof(C40C)=Sof(H40D)=Sof(H40E)=Sof(H40F)=1-FVAR(11)
 Sof(C15C)=Sof(H15C)=Sof(H15D)=Sof(H15E)=Sof(C16C)=Sof(H16F)=Sof(H16G)=
 Sof(C17C)=Sof(H17E)=Sof(H17F)=Sof(C18C)=Sof(H18E)=Sof(H18F)=Sof(C19C)=
 Sof(H19C)=Sof(H19D)=Sof(C20C)=Sof(H20E)=Sof(H20F)=Sof(C21C)=Sof(C22C)=
 Sof(H22E)=Sof(H22F)=Sof(C23C)=Sof(H23E)=Sof(H23F)=Sof(C24C)=Sof(H24H)=
 Sof(H24I)=Sof(C25C)=Sof(H25E)=Sof(H25F)=Sof(C26C)=Sof(H26C)=Sof(H26D)=
 Sof(C27C)=Sof(H27D)=Sof(H27E)=Sof(H27F)=FVAR(11)
 Sof(C5FB)=Sof(H5FA)=Sof(H5FB)=Sof(H22I)=Sof(H22J)=Sof(C28D)=Sof(H28I)=
 Sof(H28J)=Sof(C29D)=Sof(H29G)=Sof(H29H)=Sof(C30D)=Sof(H30H)=Sof(H30I)=
 Sof(H30J)=1-FVAR(12)
 Sof(H22G)=Sof(H22H)=Sof(C23D)=Sof(H23G)=Sof(H23H)=Sof(C24D)=Sof(H24J)=
 Sof(H24K)=Sof(C25D)=Sof(H25G)=Sof(H25H)=Sof(C26D)=Sof(H26E)=Sof(H26F)=
 Sof(H26G)=FVAR(12)
 Sof(H20O)=Sof(H20P)=Sof(C28G)=Sof(H28P)=Sof(H28Q)=Sof(H28R)=Sof(C29G)=
 Sof(H29N)=Sof(H29O)=Sof(C30G)=Sof(H30M)=Sof(H30N)=Sof(C31G)=Sof(H31G)=
 Sof(H31H)=Sof(C32G)=Sof(H32G)=Sof(H32H)=1-FVAR(13)
 Sof(C15G)=Sof(H15O)=Sof(H15P)=Sof(H15Q)=Sof(C16G)=Sof(H16O)=Sof(H16P)=
 Sof(C17G)=Sof(H17N)=Sof(H17O)=Sof(C18G)=Sof(H18P)=Sof(H18Q)=Sof(C19G)=
 Sof(H19K)=Sof(H19M)=Sof(H20M)=Sof(H20N)=FVAR(13)
 Sof(C28A)=Sof(H28A)=Sof(H28B)=Sof(H28C)=Sof(C29A)=Sof(H29A)=Sof(H29B)=
 Sof(C30A)=Sof(H30A)=Sof(H30B)=Sof(C31A)=Sof(H31A)=Sof(H31B)=Sof(C32A)=
 Sof(H32A)=Sof(H32B)=Sof(C33A)=Sof(H33A)=Sof(H33B)=Sof(C34A)=Sof(C35A)=
 Sof(H35A)=Sof(H35B)=Sof(C36A)=Sof(H36A)=Sof(H36B)=Sof(C37A)=Sof(H37A)=
 Sof(H37B)=Sof(C38A)=Sof(H38A)=Sof(H38B)=Sof(C39A)=Sof(H39A)=Sof(H39B)=
 Sof(C40A)=Sof(H40A)=Sof(H40B)=Sof(H40C)=1-FVAR(14)
 Sof(C13A)=Sof(H13A)=Sof(H13B)=Sof(H13C)=Sof(C14A)=Sof(H14A)=Sof(H14B)=
 Sof(C15A)=Sof(H15A)=Sof(H15B)=Sof(C16A)=Sof(H16A)=Sof(H16B)=Sof(C17A)=
 Sof(H17A)=Sof(H17B)=Sof(C18A)=Sof(H18A)=Sof(H18B)=Sof(C19A)=Sof(C20A)=
 Sof(H20A)=Sof(H20B)=Sof(C21A)=Sof(H21A)=Sof(H21B)=Sof(C22A)=Sof(H22A)=
 Sof(H22B)=Sof(C23A)=Sof(H23A)=Sof(H23B)=Sof(C24A)=Sof(H24A)=Sof(H24B)=
 Sof(H24C)=Sof(C25A)=Sof(H25A)=Sof(H25B)=FVAR(14)
 Sof(C28H)=Sof(H28S)=Sof(H28T)=Sof(C29H)=Sof(H29P)=Sof(H29Q)=Sof(C30H)=
 Sof(H30O)=Sof(H30P)=Sof(C31H)=Sof(H31I)=Sof(H31J)=Sof(C32H)=Sof(H32I)=
 Sof(H32J)=Sof(C33H)=Sof(H33I)=Sof(H33J)=Sof(H33K)=1-FVAR(15)
 Sof(C22H)=Sof(H22Q)=Sof(H22R)=Sof(C23H)=Sof(H23Q)=Sof(H23R)=Sof(C24H)=
 Sof(H24R)=Sof(H24S)=Sof(C25H)=Sof(H25Q)=Sof(H25R)=Sof(C26H)=Sof(H26N)=
 Sof(H26O)=Sof(C27H)=Sof(H27P)=Sof(H27Q)=Sof(H27R)=FVAR(15)
 Sof(HF)=Sof(HG)=Sof(C28K)=Sof(H28Z)=Sof(HN)=Sof(C29K)=Sof(H29V)=Sof(H29W)=
 Sof(C30K)=Sof(H30U)=Sof(H30V)=Sof(C31K)=Sof(H31O)=Sof(H31P)=Sof(H31Q)=1-
 FVAR(16)
 Sof(H23Y)=Sof(HE)=Sof(C24K)=Sof(H24X)=Sof(H24Y)=Sof(C25K)=Sof(H25W)=Sof(H25X)=
 Sof(C26K)=Sof(H26R)=Sof(H26S)=Sof(C27K)=Sof(H27Y)=Sof(HK)=Sof(HL)=FVAR(16)
 Sof(Ag1)=1-FVAR(17)
 Sof(Cu1A)=FVAR(17)
 Sof(Ag2)=1-FVAR(18)
 Sof(Cu2A)=FVAR(18)
 Sof(Cu3A)=1-FVAR(19)
 Sof(Ag3)=FVAR(19)
 Sof(Cu6A)=1-FVAR(20)
 Sof(Ag6)=FVAR(20)
 Sof(Ag4)=1-FVAR(21)
 Sof(Cu4A)=FVAR(21)
 Sof(Ag5)=1-FVAR(22)
 Sof(Cu5A)=FVAR(22)
 Fixed X: C36I(0.744469) C40C(0.57875)
 Fixed Y: C36I(0.20772) C40C(1.05063)
 Fixed Z: C36I(0.732949) C40C(0.31687)
7.a Secondary CH2 refined with riding coordinates:
 C5FB(H5FA,H5FB), C14A(H14A,H14B), C15A(H15A,H15B), C16A(H16A,H16B), C16C(H16F,
 H16G), C16D(H16H,H16I), C16E(H16J,H16K), C16F(H16M,H16N), C16G(H16O,H16P),
 C16H(H16Q,H16R), C16I(H16S,H16T), C16J(H16U,H16V), C16K(H16W,H16X), C17A(H17A,
 H17B), C17B(H17C,H17D), C17C(H17E,H17F), C17D(H17G,H17H), C17E(H17I,H17J),
 C17F(H17K,H17M), C17G(H17N,H17O), C17H(H17P,H17Q), C17I(H17R,H17S), C17J(H17T,
 H17U), C17K(H17V,H17W), C18A(H18A,H18B), C18B(H18C,H18D), C18C(H18E,H18F),
 C18D(H18G,H18H), C18E(H18I,H18J), C18F(H18K,H18M), C18F(H18N,H18O), C18G(H18P,
 H18Q), C18H(H18R,H18S), C18I(H18T,H18U), C18J(H18V,H18W), C18K(H18X,H18Y),
 C19B(H19A,H19B), C19C(H19C,H19D), C19D(H19E,H19F), C19E(H19G,H19H), C19F(H19I,
 H19J), C19G(H19K,H19M), C19H(H19N,H19O), C19I(H19P,H19Q), C19J(H19R,H19S),
 C19K(H19T,H19U), C20A(H20A,H20B), C20B(H20C,H20D), C20C(H20E,H20F), C20D(H20G,
 H20H), C20E(H20I,H20J), C20F(H20K,H20L), C20G(H20M,H20N), C20G(H20O,H20P),
 C20H(H20Q,H20R), C20I(H20S,H20T), C20I(H20U,H20V), C20J(H20W,H20X), C20K(H20Y,
 HC), C21A(H21A,H21B), C21B(H21C,H21D), C21D(H21E,H21F), C22A(H22A,H22B),
 C22B(H22C,H22D), C22C(H22E,H22F), C22D(H22G,H22H), C22D(H22I,H22J), C22E(H22K,
 H22L), C22F(H22M,H22N), C22G(H22O,H22P), C22H(H22Q,H22R), C22I(H22S,H22T),
 C22J(H22U,H22V), C22K(H22W,H22X), C22L(H22Y,HD), C23A(H23A,H23B), C23B(H23C,
 H23D), C23C(H23E,H23F), C23D(H23G,H23H), C23E(H23I,H23J), C23F(H23K,H23L),
 C23F(H23M,H23N), C23G(H23O,H23P), C23H(H23Q,H23R), C23I(H23S,H23T), C23I(H23U,
 H23V), C23J(H23W,H23X), C23K(H23Y,HE), C23K(HF,HG), C23L(H23Z,HH), C24B(H24D,
 H24E), C24B(H24F,H24G), C24C(H24H,H24I), C24D(H24J,H24K), C24E(H24L,H24M),
 C24F(H24N,H24O), C24G(H24P,H24Q), C24H(H24R,H24S), C24I(H24T,H24U), C24J(H24V,
 H24W), C24K(H24X,H24Y), C24L(H24Z,HI), C25A(H25A,H25B), C25B(H25C,H25D),
 C25C(H25E,H25F), C25D(H25G,H25H), C25E(H25I,H25J), C25E(H25K,H25L), C25F(H25M,
 H25N), C25G(H25O,H25P), C25H(H25Q,H25R), C25I(H25S,H25T), C25J(H25U,H25V),
 C25K(H25W,H25X), C25L(H25Y,HJ), C26B(H26A,H26B), C26C(H26C,H26D), C26E(H26H,
 H26I), C26F(H26J,H26K), C26G(H26L,H26M), C26H(H26N,H26O), C26I(H26P,H26Q),
 C46J(H46A,H46B), C26K(H26R,H26S), C26L(H26T,H26U), C28B(H28D,H28E), C28D(H28I,
 H28J), C28E(H28K,H28L), C28H(H28S,H28T), C28K(H28Z,HN), C28L(H28,HO),
 C29A(H29A,H29B), C29B(H29C,H29D), C29C(H29E,H29F), C29D(H29G,H29H), C29F(H29L,
 H29M), C29G(H29N,H29O), C29H(H29P,H29Q), C29I(H29R,H29S), C29J(H29T,H29U),
 C29K(H29V,H29W), C29L(H29X,H29Y), C30A(H30A,H30B), C30C(H30F,H30G), C30F(H30K,
 H30L), C30G(H30M,H30N), C30H(H30O,H30P), C30I(H30Q,H30R), C30J(H30S,H30T),
 C30K(H30U,H30V), C30L(H30W,H30X), C31A(H31A,H31B), C31C(H31C,H31D), C31F(H31E,
 H31F), C31G(H31G,H31H), C31H(H31I,H31J), C31I(H31K,H31L), C31J(H31M,H31N),
 C31L(H31R,H31S), C32A(H32A,H32B), C32C(H32C,H32D), C32F(H32E,H32F), C32G(H32G,
 H32H), C32H(H32I,H32J), C32I(H32K,H32L), C32J(H32M,H32N), C32L(H32O,H32P),
 C33A(H33A,H33B), C33C(H33C,H33D), C33F(H33E,H33F), C33G(H33G,H33H), C33I(H33L,
 H33M), C33J(H33N,H33O), C34G(H34D,H34E), C34I(H34F,H34G), C35A(H35A,H35B),
 C35C(H35C,H35D), C35G(H35E,H35F), C35I(H35G,H35H), C35J(H35I,H35J), C35L(H35K,
 H35L), C36A(H36A,H36B), C36C(H36C,H36D), C36G(H36E,H36F), C36J(H36J,H36K),
 C36L(H36L,H36M), C37A(H37A,H37B), C37C(H37C,H37D), C37G(H37E,H37F), C37J(H37G,
 H37H), C37L(H37I,H37J), C38A(H38A,H38B), C38C(H38C,H38D), C38J(H38H,H38I),
 C38L(H38J,H38K), C39A(H39A,H39B), C39C(H39C,H39D), C39J(H39E,H39F), C39L(H39G,
 H39H), C41L(H41A,H41B), C42L(H42A,H42B), C43L(H43A,H43B), C44L(H44A,H44B),
 C45L(H45A,H45B)
7.b Aromatic/amide H refined with riding coordinates:
 C2A(H2A), C3A(H3A), C4A(H4A), C4B(H4B), C4C(H4C), C4D(H4D), C4E(H4E),
 C4F(H4F), C4G(H4G), C4H(H4H), C4I(H4I), C4J(H4J), C4K(H4K), C4L(H4L), C5A(H5A),
  C5H(H5H), C6B(H6B), C6C(H6C), C6D(H6D), C6E(H6E), C6F(H6F), C6G(H6G),
 C6I(H6I), C6J(H6J), C6K(H6K), C6L(H6L), C7B(H7B), C7C(H7C), C7D(H7D), C7E(H7E),
  C7F(H7F), C7G(H7G), C7I(H7I), C7J(H7J), C7K(H7K), C7L(H7L), C8A(H8A),
 C8H(H8H), C9A(H9A), C13L(H13L), C12L(H12L), C11L(H11L), C10L(H10L), C10B(H10B),
  C10C(H10C), C10D(H10D), C10E(H10E), C10F(H10F), C10G(H10G), C10H(H10H),
 C10I(H10I), C10J(H10J), C10K(H10K), C11A(H11A), C11B(H11B), C11C(H11C),
 C11D(H11D), C11E(H11E), C11F(H11F), C11G(H11G), C11H(H11H), C11I(H11I),
 C11J(H11J), C11K(H11K), C12B(H12B), C12C(H12C), C12D(H12D), C12E(H12E),
 C12F(H12F), C12G(H12G), C12H(H12H), C12I(H12I), C12J(H12J), C12K(H12K),
 C13B(H13D), C13C(H13E), C13D(H13F), C13E(H13G), C13F(H13H), C13G(H13I),
 C13H(H13J), C13I(H13K), C13J(H13M), C13K(H13N), C19L(H19L), C18L(H18L),
 C17L(H17L), C16L(H16L)
7.c Fitted hexagon refined as free rotating group:
 C9L(C14L,C13L,C12L,C11L,C10L), C15L(C20L,C19L,C18L,C17L,C16L)
7.d Idealised Me refined as rotating group:
 C13A(H13A,H13B,H13C), C15C(H15C,H15D,H15E), C15D(H15F,H15G,H15H), C15E(H15I,
 H15J,H15K), C15F(H15L,H15M,H15N), C15G(H15O,H15P,H15Q), C15H(H15R,H15S,H15T),
 C15I(H15U,H15V,H15W), C15J(H15X,H15Y,H), C15K(H15Z,HA,HB), C16B(H16C,H16D,
 H16E), C21L(H21G,H21H,H21I), C24A(H24A,H24B,H24C), C26D(H26E,H26F,H26G),
 C27B(H27A,H27B,H27C), C27C(H27D,H27E,H27F), C27E(H27G,H27H,H27I), C27F(H27J,
 H27K,H27L), C27G(H27M,H27N,H27O), C27H(H27P,H27Q,H27R), C27I(H27S,H27T,H27U),
 C27J(H27V,H27W,H27X), C27K(H27Y,HK,HL), C28A(H28A,H28B,H28C), C28C(H28F,H28G,
 H28H), C28F(H28M,H28N,H28O), C28G(H28P,H28Q,H28R), C28I(H28U,H28V,H28W),
 C28J(H28X,H28Y,HM), C29E(H29I,H29J,H29K), C30B(H30C,H30D,H30E), C30D(H30H,H30I,
 H30J), C31K(H31O,H31P,H31Q), C33H(H33I,H33J,H33K), C33L(H33P,H33Q,H33R),
 C34F(H34A,H34B,H34C), C34L(H34H,H34I,H34J), C36I(H36G,H36H,H36I), C38G(H38E,
 H38F,H38G), C40A(H40A,H40B,H40C), C40C(H40D,H40E,H40F), C40J(H40G,H40H,H40I),
 C46L(H46C,H46D,H46E)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.63334(2) 0.82503(2) 0.49001(2) 0.09429(7) Uani 1 1 d . U . . .
Au2 Au 0.61712(2) 0.66076(2) 0.48381(2) 0.08014(7) Uani 1 1 d . . . . .
Au3 Au 0.60518(2) 0.53979(2) 0.43375(2) 0.09730(8) Uani 1 1 d . . . . .
Au4 Au 0.59697(2) 0.65999(2) 0.57090(2) 0.09254(8) Uani 1 1 d . . . . .
Au5 Au 0.62529(2) 0.59675(2) 0.55456(2) 0.07980(7) Uani 1 1 d . . . . .
Au6 Au 0.65735(2) 0.46462(2) 0.58782(2) 0.10462(10) Uani 1 1 d D U . . .
Ag1 Ag 0.61791(2) 0.71402(3) 0.43170(2) 0.11543(18) Uani 0.765(2) 1 d . . P A 4
Ag2 Ag 0.64108(2) 0.73597(3) 0.54742(2) 0.08398(15) Uani 0.5987(19) 1 d . . P A
6
Ag3 Ag 0.60259(2) 0.51381(4) 0.48925(2) 0.1064(3) Uani 0.208(2) 1 d . . P A 7
Ag4 Ag 0.62959(2) 0.53664(3) 0.61121(2) 0.09520(18) Uani 0.619(2) 1 d . . P A
12
Ag5 Ag 0.58938(2) 0.68591(4) 0.50306(2) 0.0937(2) Uani 0.200(2) 1 d . . P A 14
Ag6 Ag 0.65008(2) 0.55559(4) 0.53301(2) 0.1161(2) Uani 0.485(2) 1 d . . P A 9
C1A C 0.65592(6) 0.9420(4) 0.34432(10) 0.109(2) Uani 1 1 d . . . . .
C1B C 0.63624(6) 0.8456(3) 0.53140(11) 0.0942(16) Uani 1 1 d . U . . .
C1C C 0.60437(6) 0.6120(3) 0.40497(10) 0.0965(17) Uani 1 1 d . . . . .
C1D C 0.60522(7) 0.4577(3) 0.45802(11) 0.0967(19) Uani 1 1 d . . . . .
C1E C 0.65206(7) 0.6528(3) 0.58511(10) 0.0829(17) Uani 1 1 d . . . . .
C1F C 0.59764(6) 0.5448(3) 0.52290(10) 0.0858(16) Uani 1 1 d . . . . .
C1G C 0.60553(7) 0.5952(3) 0.60808(12) 0.1019(19) Uani 1 1 d . . . . .
C1H C 0.58668(7) 0.7368(3) 0.53679(10) 0.1042(19) Uani 1 1 d . . . . .
C1I C 0.65460(7) 0.4629(3) 0.62261(10) 0.1096(18) Uani 1 1 d D U . . .
C1J C 0.66257(8) 0.4554(3) 0.55365(13) 0.105(2) Uani 1 1 d . U . . .
C1K C 0.64867(6) 0.6527(3) 0.50935(10) 0.0856(17) Uani 1 1 d . . . . .
C1L C 0.58613(7) 0.6691(3) 0.45934(10) 0.0834(17) Uani 1 1 d . . . . .
C2A C 0.66454(8) 0.9647(4) 0.32963(12) 0.128(3) Uani 1 1 d . . . . .
H2A H 0.679345 0.973301 0.342863 0.154 Uiso 1 1 calc R . . . .
C2B C 0.63794(5) 0.8620(3) 0.55553(9) 0.0861(13) Uani 1 1 d . U . . .
C2C C 0.60348(8) 0.6429(3) 0.38360(11) 0.108(2) Uani 1 1 d . . . . .
C2D C 0.60391(6) 0.4066(3) 0.47132(11) 0.1009(19) Uani 1 1 d . . . . .
C2E C 0.66860(6) 0.6849(2) 0.60396(10) 0.0788(17) Uani 1 1 d . . . . .
C2F C 0.58006(7) 0.5193(3) 0.50246(11) 0.0903(18) Uani 1 1 d . . . . .
C2G C 0.60768(6) 0.5656(3) 0.63094(13) 0.110(2) Uani 1 1 d . . . . .
C2H C 0.58098(7) 0.7842(3) 0.51706(10) 0.0972(18) Uani 1 1 d . . . . .
C2I C 0.65490(7) 0.4523(3) 0.64666(9) 0.1046(19) Uani 1 1 d D U . . .
C2J C 0.66603(8) 0.4479(3) 0.53415(14) 0.111(2) Uani 1 1 d . U . . .
C2K C 0.66775(6) 0.6565(3) 0.52753(11) 0.096(2) Uani 1 1 d . . . . .
C2L C 0.56683(6) 0.6703(3) 0.44538(9) 0.0797(16) Uani 1 1 d . . . . .
C3A C 0.65196(8) 0.9752(4) 0.29590(12) 0.132(2) Uani 1 1 d . . . . .
H3A H 0.658243 0.990219 0.286030 0.158 Uiso 1 1 calc R . . . .
C3B C 0.63380(5) 0.8726(2) 0.62385(8) 0.0637(12) Uani 1 1 d . . . . .
C3C C 0.57771(7) 0.6982(4) 0.29641(10) 0.107(2) Uani 1 1 d . . . . .
C3D C 0.60973(7) 0.2738(3) 0.53104(12) 0.094(2) Uani 1 1 d . . . . .
C3E C 0.71038(6) 0.8200(2) 0.65438(11) 0.0839(18) Uani 1 1 d . . . . .
C3F C 0.53166(7) 0.4194(3) 0.43845(12) 0.103(2) Uani 1 1 d . . . . .
C3G C 0.61703(7) 0.5762(3) 0.71142(11) 0.100(2) Uani 1 1 d . . . . .
C3H C 0.57251(7) 0.8468(3) 0.49693(10) 0.0936(19) Uani 1 1 d . . . . .
C3I C 0.65525(7) 0.3240(3) 0.70236(11) 0.0852(18) Uani 1 1 d . . . . .
C3J C 0.66958(7) 0.4576(4) 0.46503(14) 0.128(3) Uani 1 1 d D . . . .
C3K C 0.72472(6) 0.6093(3) 0.58384(12) 0.0944(19) Uani 1 1 d . . . . .
C3L C 0.51178(6) 0.7029(3) 0.41434(10) 0.106(2) Uani 1 1 d D . . . .
C4A C 0.63099(8) 0.9648(4) 0.27664(11) 0.128(2) Uani 1 1 d . . . . .
H4A H 0.622450 0.973889 0.253434 0.154 Uiso 1 1 calc R . . . .
C4B C 0.63148(6) 0.8468(3) 0.59675(9) 0.0795(16) Uani 1 1 d . . . . .
H4B H 0.625175 0.801766 0.587710 0.095 Uiso 1 1 calc R . . . .
C4C C 0.58050(7) 0.6738(4) 0.32466(12) 0.121(2) Uani 1 1 d . . . . .
H4C H 0.568703 0.659649 0.323529 0.146 Uiso 1 1 calc R . . . .
C4D C 0.61279(7) 0.3332(3) 0.51892(12) 0.094(2) Uani 1 1 d . . . . .
H4D H 0.622286 0.368935 0.533988 0.113 Uiso 1 1 calc R . . . .
C4E C 0.69063(6) 0.7907(3) 0.63407(10) 0.0810(17) Uani 1 1 d . . . . .
H4E H 0.678305 0.818581 0.625037 0.097 Uiso 1 1 calc R . . . .
C4F C 0.55315(6) 0.4361(3) 0.46159(11) 0.1029(19) Uani 1 1 d . . . . .
H4F H 0.563633 0.406893 0.463882 0.124 Uiso 1 1 calc R . . . .
C4G C 0.61611(7) 0.5955(3) 0.68500(12) 0.103(2) Uani 1 1 d . . . . .
H4G H 0.619261 0.642761 0.682907 0.124 Uiso 1 1 calc R . . . .
C4H C 0.55584(8) 0.8833(3) 0.49300(11) 0.115(2) Uani 1 1 d . . . . .
H4H H 0.550840 0.867623 0.504699 0.138 Uiso 1 1 calc R . . . .
C4I C 0.65428(7) 0.3510(3) 0.67702(11) 0.0896(19) Uani 1 1 d . . . . .
H4I H 0.652120 0.320415 0.660409 0.108 Uiso 1 1 calc R . . . .
C4J C 0.66196(8) 0.4692(4) 0.48193(14) 0.125(3) Uani 1 1 d . . . . .
H4J H 0.650276 0.500076 0.473408 0.151 Uiso 1 1 calc R . . . .
C4K C 0.70343(6) 0.6024(3) 0.55898(12) 0.094(2) Uani 1 1 d . . . . .
H4K H 0.697597 0.558398 0.547831 0.113 Uiso 1 1 calc R . . . .
C4L C 0.53338(7) 0.7105(4) 0.43271(11) 0.106(2) Uani 1 1 d . . . . .
H4L H 0.540786 0.744199 0.450240 0.127 Uiso 1 1 calc R . . . .
C5A C 0.62162(8) 0.9403(4) 0.29092(11) 0.111(2) Uani 1 1 d . . . . .
H5A H 0.606764 0.932720 0.277529 0.133 Uiso 1 1 calc R . . . .
C5B C 0.63857(5) 0.8882(3) 0.58258(8) 0.0784(15) Uani 1 1 d . . . . .
C5C C 0.60108(8) 0.6707(4) 0.35466(10) 0.107(2) Uani 1 1 d . . . . .
C5D C 0.60224(6) 0.3422(3) 0.48496(12) 0.0967(19) Uani 1 1 d . . . . .
C5E C 0.68910(6) 0.7164(3) 0.62683(9) 0.0765(15) Uani 1 1 d . . . . .
C5F C 0.55892(6) 0.4963(3) 0.48119(10) 0.0868(16) Uani 1 1 d . . . . .
C5FB C 0.68636(9) 0.2525(6) 0.5880(2) 0.222(3) Uani 0.509(6) 1 d D . P B 2
H5FA H 0.685124 0.299994 0.594986 0.266 Uiso 0.509(6) 1 calc R . P B 2
H5FB H 0.678217 0.253168 0.563594 0.266 Uiso 0.509(6) 1 calc R . P B 2
C5G C 0.61040(7) 0.5442(3) 0.66068(11) 0.0967(19) Uani 1 1 d . . . . .
C5H C 0.54661(9) 0.9416(4) 0.47240(13) 0.122(3) Uani 1 1 d . . . . .
H5H H 0.535338 0.966018 0.469916 0.147 Uiso 1 1 calc R . . . .
C5I C 0.65647(7) 0.4252(3) 0.67514(10) 0.095(2) Uani 1 1 d D . . . .
C5J C 0.67202(8) 0.4335(3) 0.51322(15) 0.117(3) Uani 1 1 d . . . . .
C5K C 0.69047(6) 0.6612(3) 0.55035(11) 0.0869(17) Uani 1 1 d . . . . .
C5L C 0.54433(6) 0.6681(3) 0.42532(10) 0.0833(17) Uani 1 1 d . . . . .
C6A C 0.63447(6) 0.9276(3) 0.32481(8) 0.0938(17) Uani 1 1 d . . . . .
C6B C 0.64756(5) 0.9554(3) 0.59619(9) 0.0805(14) Uani 1 1 d . . . . .
H6B H 0.651954 0.983922 0.586113 0.097 Uiso 1 1 calc R . . . .
C6C C 0.61809(8) 0.6906(4) 0.35625(11) 0.113(2) Uani 1 1 d . . . . .
H6C H 0.631969 0.687547 0.376810 0.135 Uiso 1 1 calc R . . . .
C6D C 0.58893(7) 0.2875(3) 0.46370(11) 0.097(2) Uani 1 1 d . . . . .
H6D H 0.581718 0.292313 0.440498 0.116 Uiso 1 1 calc R . . . .
C6E C 0.70720(6) 0.6774(3) 0.64128(11) 0.0848(18) Uani 1 1 d . . . . .
H6E H 0.706021 0.627944 0.636807 0.102 Uiso 1 1 calc R . . . .
C6F C 0.54345(6) 0.5379(3) 0.47772(10) 0.0856(16) Uani 1 1 d . . . . .
H6F H 0.547511 0.578025 0.491706 0.103 Uiso 1 1 calc R . . . .
C6G C 0.60660(6) 0.4738(3) 0.66468(11) 0.0916(19) Uani 1 1 d . . . . .
H6G H 0.603071 0.438980 0.648551 0.110 Uiso 1 1 calc R . . . .
C6H C 0.55398(9) 0.9643(3) 0.45534(13) 0.114(3) Uani 1 1 d . . . . .
C6I C 0.65945(7) 0.4675(3) 0.70015(12) 0.097(2) Uani 1 1 d . . . . .
H6I H 0.661056 0.517247 0.699336 0.116 Uiso 1 1 calc R . . . .
C6J C 0.68966(10) 0.3894(4) 0.52581(16) 0.137(3) Uani 1 1 d . . . . .
H6J H 0.697178 0.368367 0.547192 0.164 Uiso 1 1 calc R . . . .
C6K C 0.69911(6) 0.7278(3) 0.56443(11) 0.0902(19) Uani 1 1 d . . . . .
H6K H 0.690130 0.767939 0.557524 0.108 Uiso 1 1 calc R . . . .
C6L C 0.53348(6) 0.6172(3) 0.40030(10) 0.0907(18) Uani 1 1 d . . . . .
H6L H 0.541068 0.586525 0.396260 0.109 Uiso 1 1 calc R . . . .
C7A C 0.62926(6) 0.9042(4) 0.34655(9) 0.104(2) Uani 1 1 d . . . . .
C7B C 0.65007(6) 0.9801(3) 0.62324(9) 0.0870(16) Uani 1 1 d . . . . .
H7B H 0.656130 1.025599 0.632027 0.104 Uiso 1 1 calc R . . . .
C7C C 0.61539(7) 0.7147(4) 0.32861(12) 0.106(2) Uani 1 1 d . . . . .
H7C H 0.627239 0.729711 0.330046 0.128 Uiso 1 1 calc R . . . .
C7D C 0.58599(7) 0.2275(3) 0.47528(12) 0.104(2) Uani 1 1 d . . . . .
H7D H 0.576849 0.190983 0.460385 0.125 Uiso 1 1 calc R . . . .
C7E C 0.72690(6) 0.7070(3) 0.66192(11) 0.0927(19) Uani 1 1 d . . . . .
H7E H 0.739227 0.678585 0.671800 0.111 Uiso 1 1 calc R . . . .
C7F C 0.52216(6) 0.5220(3) 0.45423(11) 0.0928(18) Uani 1 1 d . . . . .
H7F H 0.511719 0.551651 0.451865 0.111 Uiso 1 1 calc R . . . .
C7G C 0.60800(7) 0.4556(3) 0.69186(12) 0.098(2) Uani 1 1 d . . . . .
H7G H 0.605256 0.408195 0.694548 0.118 Uiso 1 1 calc R . . . .
C7H C 0.57085(8) 0.9291(3) 0.45951(11) 0.103(2) Uani 1 1 d . . . . .
C7I C 0.66017(7) 0.4414(3) 0.72542(12) 0.092(2) Uani 1 1 d . . . . .
H7I H 0.662318 0.471717 0.742117 0.110 Uiso 1 1 calc R . . . .
C7J C 0.69588(10) 0.3775(4) 0.50538(16) 0.139(3) Uani 1 1 d . . . . .
H7J H 0.707119 0.345529 0.512587 0.167 Uiso 1 1 calc R . . . .
C7K C 0.72039(6) 0.7348(3) 0.58800(12) 0.100(2) Uani 1 1 d . . . . .
H7K H 0.726324 0.780000 0.597430 0.120 Uiso 1 1 calc R . . . .
C7L C 0.51184(7) 0.6110(3) 0.38143(11) 0.099(2) Uani 1 1 d . . . . .
H7L H 0.504354 0.578485 0.363420 0.119 Uiso 1 1 calc R . . . .
C8A C 0.60989(7) 0.8848(4) 0.33915(11) 0.111(2) Uani 1 1 d . . . . .
H8A H 0.597034 0.887263 0.317069 0.134 Uiso 1 1 calc R . . . .
C8B C 0.64371(5) 0.9385(2) 0.63809(9) 0.0726(14) Uani 1 1 d . . . . .
C8C C 0.59501(6) 0.7172(4) 0.29828(10) 0.102(2) Uani 1 1 d . . . . .
C8D C 0.59638(7) 0.2208(3) 0.50859(12) 0.094(2) Uani 1 1 d . . . . .
C8E C 0.72860(6) 0.7793(3) 0.66820(11) 0.0866(18) Uani 1 1 d . . . . .
C8F C 0.51616(7) 0.4630(3) 0.43423(12) 0.097(2) Uani 1 1 d . . . . .
C8G C 0.61344(6) 0.5065(3) 0.71545(11) 0.0875(18) Uani 1 1 d . . . . .
C8H C 0.57975(7) 0.8703(3) 0.47967(11) 0.098(2) Uani 1 1 d . . . . .
H8H H 0.590864 0.845575 0.481832 0.118 Uiso 1 1 calc R . . . .
C8I C 0.65763(6) 0.3676(3) 0.72618(10) 0.0829(18) Uani 1 1 d . . . . .
C8J C 0.68590(9) 0.4114(4) 0.47567(16) 0.132(3) Uani 1 1 d . . . . .
C8K C 0.73342(6) 0.6763(3) 0.59829(11) 0.0939(19) Uani 1 1 d . . . . .
C8L C 0.50109(6) 0.6523(3) 0.38878(11) 0.098(2) Uani 1 1 d . . . . .
C9A C 0.61014(7) 0.8618(4) 0.36512(10) 0.108(2) Uani 1 1 d . . . . .
H9A H 0.597232 0.849635 0.361069 0.129 Uiso 1 1 calc R . . . .
C9B C 0.64423(6) 0.9484(2) 0.66690(9) 0.0776(15) Uani 1 1 d . . . . .
C9C C 0.58746(7) 0.7408(4) 0.26518(11) 0.116(2) Uani 1 1 d . . . . .
C9D C 0.59612(6) 0.1650(3) 0.52845(12) 0.091(2) Uani 1 1 d . . . . .
C9E C 0.74715(6) 0.8256(3) 0.68706(12) 0.094(2) Uani 1 1 d . . . . .
C9F C 0.49528(7) 0.4381(4) 0.40660(13) 0.109(2) Uani 1 1 d . . . . .
C9G C 0.61618(7) 0.5009(4) 0.74660(13) 0.110(2) Uani 1 1 d . . . . .
C9H C 0.54686(9) 1.0205(4) 0.43145(14) 0.126(3) Uani 1 1 d . . . . .
C9I C 0.65618(6) 0.3250(3) 0.74839(10) 0.0837(17) Uani 1 1 d . . . . .
C9J C 0.68955(9) 0.4072(4) 0.45054(15) 0.142(3) Uani 1 1 d . . . . .
C9K C 0.75606(6) 0.6676(3) 0.62507(13) 0.101(2) Uani 1 1 d . . . . .
C9L C 0.47892(8) 0.6671(4) 0.37859(14) 0.0965(17) Uani 0.338(2) 1 d . U P C 1
C14L C 0.47713(12) 0.7231(4) 0.3944(2) 0.0983(17) Uani 0.338(2) 1 d DG U P C 1
C13L C 0.45874(15) 0.7312(6) 0.3913(3) 0.1084(19) Uani 0.338(2) 1 d G U P C 1
H13L H 0.457517 0.769481 0.402114 0.130 Uiso 0.338(2) 1 calc R . P C 1
C12L C 0.44214(12) 0.6834(6) 0.3723(3) 0.112(2) Uani 0.338(2) 1 d G U P C 1
H12L H 0.429570 0.688969 0.370165 0.134 Uiso 0.338(2) 1 calc R . P C 1
C11L C 0.44393(11) 0.6274(6) 0.3565(3) 0.107(2) Uani 0.338(2) 1 d G U P C 1
H11L H 0.432580 0.594751 0.343502 0.128 Uiso 0.338(2) 1 calc R . P C 1
C10L C 0.46231(11) 0.6193(4) 0.3596(2) 0.100(2) Uani 0.338(2) 1 d G U P C 1
H10L H 0.463536 0.581046 0.348789 0.120 Uiso 0.338(2) 1 calc R . P C 1
C10A C 0.62907(6) 0.8564(3) 0.39691(9) 0.0982(18) Uani 1 1 d . . . . .
C10B C 0.65304(7) 1.0020(3) 0.69093(12) 0.099(2) Uani 1 1 d . . . . .
H10B H 0.659604 1.041815 0.689268 0.119 Uiso 1 1 calc R . . . .
C10C C 0.59839(7) 0.7661(4) 0.25492(11) 0.132(3) Uani 1 1 d . . . . .
H10C H 0.613421 0.768670 0.269819 0.158 Uiso 1 1 calc R . . . .
C10D C 0.58569(7) 0.1000(3) 0.51927(14) 0.105(2) Uani 1 1 d . . . . .
H10D H 0.576162 0.087340 0.496431 0.126 Uiso 1 1 calc R . . . .
C10E C 0.76864(7) 0.8114(3) 0.70462(14) 0.110(2) Uani 1 1 d . . . . .
H10E H 0.773442 0.764681 0.705625 0.132 Uiso 1 1 calc R . . . .
C10F C 0.47543(8) 0.4639(4) 0.39240(15) 0.135(3) Uani 1 1 d . . . . .
H10F H 0.473602 0.505102 0.401069 0.161 Uiso 1 1 calc R . . . .
C10G C 0.61393(8) 0.4441(4) 0.76127(14) 0.129(3) Uani 1 1 d . . . . .
H10G H 0.609834 0.398569 0.751134 0.155 Uiso 1 1 calc R . . . .
C10H C 0.53045(11) 1.0696(4) 0.41711(16) 0.145(3) Uani 1 1 d . . . . .
H10H H 0.521392 1.071081 0.423171 0.174 Uiso 1 1 calc R . . . .
C10I C 0.65666(7) 0.3439(4) 0.77510(13) 0.108(2) Uani 1 1 d . . . . .
H10I H 0.658577 0.392168 0.781778 0.130 Uiso 1 1 calc R . . . .
C10J C 0.70452(10) 0.3715(5) 0.45057(19) 0.174(4) Uani 1 1 d . . . . .
H10J H 0.714983 0.342801 0.468843 0.209 Uiso 1 1 calc R . . . .
C10K C 0.77139(7) 0.7157(4) 0.64759(14) 0.122(3) Uani 1 1 d . . . . .
H10K H 0.767930 0.764355 0.646452 0.146 Uiso 1 1 calc R . . . .
C11A C 0.64802(7) 0.8716(4) 0.40385(10) 0.113(2) Uani 1 1 d . . . . .
H11A H 0.660910 0.863984 0.425515 0.135 Uiso 1 1 calc R . . . .
C11B C 0.65222(9) 0.9973(3) 0.71663(12) 0.120(2) Uani 1 1 d . . . . .
H11B H 0.658026 1.034061 0.732740 0.144 Uiso 1 1 calc R . . . .
C11C C 0.58711(9) 0.7883(5) 0.22216(14) 0.168(3) Uani 1 1 d . . . . .
H11C H 0.594300 0.808053 0.214506 0.201 Uiso 1 1 calc R . . . .
C11D C 0.58904(8) 0.0544(3) 0.54284(15) 0.118(3) Uani 1 1 d . . . . .
H11D H 0.582124 0.009621 0.536477 0.141 Uiso 1 1 calc R . . . .
C11E C 0.78275(7) 0.8667(3) 0.72049(16) 0.132(3) Uani 1 1 d . . . . .
H11E H 0.797504 0.857035 0.733688 0.158 Uiso 1 1 calc R . . . .
C11F C 0.45790(10) 0.4287(5) 0.36498(17) 0.164(4) Uani 1 1 d . . . . .
H11F H 0.443965 0.445689 0.354619 0.196 Uiso 1 1 calc R . . . .
C11G C 0.61791(11) 0.4564(6) 0.79138(16) 0.175(4) Uani 1 1 d . . . . .
H11G H 0.616863 0.417846 0.802279 0.210 Uiso 1 1 calc R . . . .
C11H C 0.52769(14) 1.1157(4) 0.39418(19) 0.191(5) Uani 1 1 d . . . . .
H11H H 0.516568 1.149447 0.384646 0.229 Uiso 1 1 calc R . . . .
C11I C 0.65430(8) 0.2917(4) 0.79229(14) 0.125(3) Uani 1 1 d . . . . .
H11I H 0.654735 0.304205 0.810721 0.150 Uiso 1 1 calc R . . . .
C11J C 0.70376(11) 0.3791(7) 0.42357(19) 0.209(5) Uani 1 1 d . . . . .
H11J H 0.713326 0.352603 0.422319 0.251 Uiso 1 1 calc R . . . .
C11K C 0.79198(8) 0.6918(4) 0.67196(15) 0.132(3) Uani 1 1 d . . . . .
H11K H 0.802731 0.724432 0.687347 0.159 Uiso 1 1 calc R . . . .
C12A C 0.64817(7) 0.8981(4) 0.37894(10) 0.102(2) Uani 1 1 d . . . . .
C12B C 0.64292(8) 0.9388(3) 0.71933(11) 0.111(2) Uani 1 1 d . . . . .
H12B H 0.642352 0.935862 0.737314 0.133 Uiso 1 1 calc R . . . .
C12C C 0.56502(9) 0.7813(5) 0.20051(15) 0.172(4) Uani 1 1 d . . . . .
H12C H 0.557447 0.794235 0.177840 0.206 Uiso 1 1 calc R . . . .
C12D C 0.60277(8) 0.0739(3) 0.57658(15) 0.119(3) Uani 1 1 d . . . . .
H12D H 0.605109 0.042599 0.593122 0.142 Uiso 1 1 calc R . . . .
C12E C 0.77612(8) 0.9361(4) 0.71783(17) 0.139(3) Uani 1 1 d . . . . .
H12E H 0.786132 0.973761 0.727984 0.167 Uiso 1 1 calc R . . . .
C12F C 0.46111(9) 0.3697(5) 0.35338(18) 0.177(4) Uani 1 1 d . . . . .
H12F H 0.448984 0.346982 0.334483 0.212 Uiso 1 1 calc R . . . .
C12G C 0.62330(12) 0.5218(6) 0.80602(16) 0.194(5) Uani 1 1 d . . . . .
H12G H 0.625181 0.528235 0.826136 0.233 Uiso 1 1 calc R . . . .
C12H C 0.53950(15) 1.1161(5) 0.3845(2) 0.197(5) Uani 1 1 d . . . . .
H12H H 0.536919 1.149553 0.368464 0.237 Uiso 1 1 calc R . . . .
C12I C 0.65135(7) 0.2226(4) 0.78196(13) 0.110(2) Uani 1 1 d . . . . .
H12I H 0.649744 0.187091 0.793467 0.131 Uiso 1 1 calc R . . . .
C12J C 0.68910(12) 0.4254(7) 0.3970(2) 0.231(6) Uani 1 1 d . . . . .
H12J H 0.689549 0.431213 0.378969 0.277 Uiso 1 1 calc R . . . .
C12K C 0.79663(8) 0.6224(4) 0.67367(15) 0.132(3) Uani 1 1 d . . . . .
H12K H 0.810554 0.606828 0.691278 0.158 Uiso 1 1 calc R . . . .
C13A C 0.7023(3) 0.5732(6) 0.3706(3) 0.328(9) Uani 0.526(5) 1 d D U P D 1
H13A H 0.712354 0.533635 0.380900 0.493 Uiso 0.526(5) 1 calc GR . P D 1
H13B H 0.701283 0.591087 0.351615 0.493 Uiso 0.526(5) 1 calc GR . P D 1
H13C H 0.688325 0.556828 0.362831 0.493 Uiso 0.526(5) 1 calc GR . P D 1
C13B C 0.63460(8) 0.8854(3) 0.69658(10) 0.106(2) Uani 1 1 d . . . . .
H13D H 0.628248 0.845718 0.698759 0.127 Uiso 1 1 calc R . . . .
C13C C 0.55425(9) 0.7570(5) 0.21074(13) 0.149(3) Uani 1 1 d . . . . .
H13E H 0.539220 0.754178 0.195674 0.178 Uiso 1 1 calc R . . . .
C13D C 0.61292(8) 0.1394(3) 0.58554(14) 0.114(3) Uani 1 1 d . . . . .
H13F H 0.622068 0.153284 0.608244 0.137 Uiso 1 1 calc R . . . .
C13E C 0.75470(8) 0.9498(3) 0.70015(15) 0.123(3) Uani 1 1 d . . . . .
H13G H 0.749978 0.997035 0.698417 0.148 Uiso 1 1 calc R . . . .
C13F C 0.48094(10) 0.3397(5) 0.36712(17) 0.163(4) Uani 1 1 d . . . . .
H13H H 0.482463 0.297692 0.358516 0.196 Uiso 1 1 calc R . . . .
C13G C 0.62602(10) 0.5784(6) 0.79214(15) 0.167(4) Uani 1 1 d . . . . .
H13I H 0.630654 0.623018 0.803062 0.200 Uiso 1 1 calc R . . . .
C13H C 0.55604(12) 1.0663(4) 0.39808(18) 0.154(4) Uani 1 1 d . . . . .
H13J H 0.564634 1.064948 0.391153 0.185 Uiso 1 1 calc R . . . .
C13I C 0.65066(6) 0.2033(3) 0.75544(11) 0.0900(19) Uani 1 1 d . . . . .
H13K H 0.648731 0.154837 0.749063 0.108 Uiso 1 1 calc R . . . .
C13J C 0.67428(10) 0.4619(7) 0.39702(17) 0.218(6) Uani 1 1 d . . . . .
H13M H 0.664147 0.492001 0.379110 0.262 Uiso 1 1 calc R . . . .
C13K C 0.78212(8) 0.5729(4) 0.65108(15) 0.136(3) Uani 1 1 d . . . . .
H13N H 0.785996 0.524821 0.652087 0.164 Uiso 1 1 calc R . . . .
C14A C 0.71003(14) 0.6331(5) 0.3962(2) 0.250(4) Uani 0.526(5) 1 d D U P D 1
H14A H 0.720963 0.661843 0.397828 0.300 Uiso 0.526(5) 1 calc R . P D 1
H14B H 0.716368 0.612675 0.418397 0.300 Uiso 0.526(5) 1 calc R . P D 1
C14B C 0.63533(6) 0.8888(2) 0.67077(8) 0.0728(14) Uani 1 1 d . . . . .
C14C C 0.56519(7) 0.7358(4) 0.24348(11) 0.121(2) Uani 1 1 d . . . . .
C14D C 0.60977(7) 0.1832(2) 0.56198(13) 0.093(2) Uani 1 1 d . . . . .
C14E C 0.74023(6) 0.8952(3) 0.68507(13) 0.097(2) Uani 1 1 d . . . . .
C14F C 0.49845(8) 0.3762(4) 0.39454(14) 0.126(3) Uani 1 1 d . . . . .
C14G C 0.62182(8) 0.5685(4) 0.76170(13) 0.122(3) Uani 1 1 d . . . . .
C14H C 0.55945(11) 1.0195(3) 0.42170(15) 0.130(3) Uani 1 1 d . . . . .
C14I C 0.65271(6) 0.2530(3) 0.73799(11) 0.0852(18) Uani 1 1 d . . . . .
C14J C 0.67485(9) 0.4524(5) 0.42497(16) 0.156(3) Uani 1 1 d D . . . .
C14K C 0.76124(6) 0.5969(3) 0.62636(13) 0.106(2) Uani 1 1 d . . . . .
C15A C 0.69086(12) 0.6800(4) 0.3848(3) 0.214(3) Uani 0.526(5) 1 d D U P D 1
H15A H 0.679843 0.676243 0.360456 0.256 Uiso 0.526(5) 1 calc R . P D 1
H15B H 0.684672 0.664020 0.395633 0.256 Uiso 0.526(5) 1 calc R . P D 1
C15B C 0.62716(5) 0.8369(2) 0.64281(8) 0.0687(12) Uani 1 1 d . . . . .
C15C C 0.57090(19) 0.3372(6) 0.2699(3) 0.281(7) Uani 0.712(4) 1 d D U P E 1
H15C H 0.581590 0.370436 0.286900 0.421 Uiso 0.712(4) 1 calc GR . P E 1
H15D H 0.576953 0.309110 0.261528 0.421 Uiso 0.712(4) 1 calc GR . P E 1
H15E H 0.566416 0.305578 0.279774 0.421 Uiso 0.712(4) 1 calc GR . P E 1
C15D C 0.52791(10) 0.4668(4) 0.53803(17) 0.152(4) Uani 1 1 d . . . . .
H15F H 0.522523 0.468496 0.514842 0.228 Uiso 1 1 calc GR . . . .
H15G H 0.524638 0.511605 0.543737 0.228 Uiso 1 1 calc GR . . . .
H15H H 0.521186 0.427507 0.540917 0.228 Uiso 1 1 calc GR . . . .
C15E C 0.68023(15) 0.9580(5) 0.48974(13) 0.271(7) Uani 1 1 d D U . . .
H15I H 0.670828 0.989854 0.470909 0.407 Uiso 1 1 calc GR . . . .
H15J H 0.673016 0.912692 0.485804 0.407 Uiso 1 1 calc GR . . . .
H15K H 0.693175 0.949725 0.492122 0.407 Uiso 1 1 calc GR . . . .
C15F C 0.53445(12) 0.1313(7) 0.54690(15) 0.192(6) Uani 0.661(8) 1 d D U P F 1
H15L H 0.545881 0.105861 0.566936 0.288 Uiso 0.661(8) 1 calc GR . P F 1
H15M H 0.521276 0.104024 0.535547 0.288 Uiso 0.661(8) 1 calc GR . P F 1
H15N H 0.532497 0.177942 0.553145 0.288 Uiso 0.661(8) 1 calc GR . P F 1
C15G C 0.5316(2) 0.8588(12) 0.6218(2) 0.277(8) Uani 0.585(6) 1 d D U P G 1
H15O H 0.517731 0.869548 0.615883 0.416 Uiso 0.585(6) 1 calc GR . P G 1
H15P H 0.531115 0.812543 0.612556 0.416 Uiso 0.585(6) 1 calc GR . P G 1
H15Q H 0.535364 0.895510 0.612595 0.416 Uiso 0.585(6) 1 calc GR . P G 1
C15H C 0.51509(11) 0.6759(5) 0.3068(2) 0.189(5) Uani 1 1 d . . . . .
H15R H 0.507121 0.708223 0.287729 0.283 Uiso 1 1 calc GR . . . .
H15S H 0.507070 0.667446 0.315141 0.283 Uiso 1 1 calc GR . . . .
H15T H 0.517341 0.630759 0.299860 0.283 Uiso 1 1 calc GR . . . .
C15I C 0.58384(13) 0.0359(4) 0.6628(2) 0.187(5) Uani 0.744(5) 1 d D . P H 1
H15U H 0.568445 0.040277 0.649889 0.280 Uiso 0.744(5) 1 calc GR . P H 1
H15V H 0.590036 0.019634 0.685354 0.280 Uiso 0.744(5) 1 calc GR . P H 1
H15W H 0.587018 0.001464 0.652074 0.280 Uiso 0.744(5) 1 calc GR . P H 1
C15J C 0.72512(14) 0.8094(7) 0.5223(3) 0.215(6) Uani 0.630(4) 1 d D . P I 1
H15X H 0.731659 0.774209 0.540193 0.322 Uiso 0.630(4) 1 calc GR . P I 1
H15Y H 0.724862 0.855649 0.530807 0.322 Uiso 0.630(4) 1 calc GR . P I 1
H H 0.733361 0.813028 0.514075 0.322 Uiso 0.630(4) 1 calc GR . P I 1
C15K C 0.71088(11) 0.3935(6) 0.7012(2) 0.196(5) Uani 1 1 d . . . . .
H15Z H 0.696382 0.408473 0.691269 0.294 Uiso 1 1 calc GR . . . .
HA H 0.720904 0.429234 0.717289 0.294 Uiso 1 1 calc GR . . . .
HB H 0.713803 0.347933 0.712532 0.294 Uiso 1 1 calc GR . . . .
C15L C 0.47878(4) 0.6488(2) 0.37202(8) 0.0965(17) Uani 0.662(2) 1 d . . P C 2
C20L C 0.47539(7) 0.6951(3) 0.38950(11) 0.0983(17) Uani 0.662(2) 1 d DG . P C 2
C19L C 0.45510(8) 0.7041(3) 0.37989(15) 0.1084(19) Uani 0.662(2) 1 d G . P C 2
H19L H 0.452790 0.735725 0.391840 0.130 Uiso 0.662(2) 1 calc R . P C 2
C18L C 0.43819(6) 0.6668(4) 0.35281(15) 0.112(2) Uani 0.662(2) 1 d G . P C 2
H18L H 0.424324 0.672942 0.346250 0.134 Uiso 0.662(2) 1 calc R . P C 2
C17L C 0.44158(5) 0.6205(4) 0.33534(12) 0.107(2) Uani 0.662(2) 1 d G . P C 2
H17L H 0.430018 0.595015 0.316828 0.128 Uiso 0.662(2) 1 calc R . P C 2
C16L C 0.46187(6) 0.6115(3) 0.34494(10) 0.100(2) Uani 0.662(2) 1 d G . P C 2
H16L H 0.464179 0.579869 0.332995 0.120 Uiso 0.662(2) 1 calc R . P C 2
C16A C 0.69830(12) 0.7572(4) 0.3945(3) 0.190(3) Uani 0.526(5) 1 d D U P D 1
H16A H 0.705304 0.772312 0.384829 0.228 Uiso 0.526(5) 1 calc R . P D 1
H16B H 0.708642 0.761610 0.418943 0.228 Uiso 0.526(5) 1 calc R . P D 1
C16B C 0.72435(9) 0.5915(5) 0.7266(3) 0.241(6) Uani 1 1 d D U . . .
H16C H 0.728209 0.621406 0.715348 0.361 Uiso 1 1 calc GR . . . .
H16D H 0.728417 0.542297 0.726911 0.361 Uiso 1 1 calc GR . . . .
H16E H 0.731767 0.608290 0.749414 0.361 Uiso 1 1 calc GR . . . .
C16C C 0.55187(14) 0.3785(4) 0.2415(2) 0.242(4) Uani 0.712(4) 1 d D U P E 1
H16F H 0.542637 0.392195 0.247357 0.290 Uiso 0.712(4) 1 calc R . P E 1
H16G H 0.543523 0.348568 0.221274 0.290 Uiso 0.712(4) 1 calc R . P E 1
C16D C 0.55124(10) 0.4561(4) 0.56018(15) 0.139(3) Uani 1 1 d . . . . .
H16H H 0.558094 0.499776 0.560173 0.167 Uiso 1 1 calc R . . . .
H16I H 0.556289 0.448204 0.583169 0.167 Uiso 1 1 calc R . . . .
C16E C 0.68591(14) 0.9914(4) 0.52121(12) 0.221(4) Uani 1 1 d D U . . .
H16J H 0.672697 1.004849 0.517584 0.265 Uiso 1 1 calc R . . . .
H16K H 0.694072 1.035354 0.525817 0.265 Uiso 1 1 calc R . . . .
C16F C 0.54021(11) 0.1409(4) 0.52357(15) 0.176(3) Uani 0.661(8) 1 d D U P F 1
H16M H 0.535772 0.098789 0.509052 0.212 Uiso 0.661(8) 1 calc R . P F 1
H16N H 0.555714 0.146938 0.536589 0.212 Uiso 0.661(8) 1 calc R . P F 1
C16G C 0.54833(12) 0.8571(8) 0.6597(2) 0.257(4) Uani 0.585(6) 1 d D U P G 1
H16O H 0.543338 0.825270 0.668953 0.308 Uiso 0.585(6) 1 calc R . P G 1
H16P H 0.549757 0.905317 0.668520 0.308 Uiso 0.585(6) 1 calc R . P G 1
C16H C 0.53593(10) 0.7081(4) 0.33353(15) 0.147(3) Uani 1 1 d . . . . .
H16Q H 0.543097 0.721695 0.323993 0.177 Uiso 1 1 calc R . . . .
H16R H 0.544799 0.671687 0.350779 0.177 Uiso 1 1 calc R . . . .
C16I C 0.59301(9) 0.1064(4) 0.66457(13) 0.151(3) Uani 0.744(5) 1 d D . P H 1
H16S H 0.607278 0.110593 0.686309 0.181 Uiso 0.744(5) 1 calc R . P H 1
H16T H 0.584025 0.144240 0.663467 0.181 Uiso 0.744(5) 1 calc R . P H 1
C16J C 0.70215(14) 0.7863(4) 0.4935(3) 0.196(4) Uani 0.630(4) 1 d D . P I 1
H16U H 0.693188 0.788176 0.500701 0.235 Uiso 0.630(4) 1 calc R . P I 1
H16V H 0.695962 0.818148 0.474143 0.235 Uiso 0.630(4) 1 calc R . P I 1
C16K C 0.71317(12) 0.3858(5) 0.67520(19) 0.193(5) Uani 1 1 d . . . . .
H16W H 0.699275 0.371843 0.654383 0.232 Uiso 1 1 calc R . . . .
H16X H 0.723211 0.346596 0.681459 0.232 Uiso 1 1 calc R . . . .
C17A C 0.67874(12) 0.8050(4) 0.3810(3) 0.158(2) Uani 0.526(5) 1 d D U P D 1
H17A H 0.669616 0.807105 0.356415 0.190 Uiso 0.526(5) 1 calc R . P D 1
H17B H 0.670319 0.784824 0.387380 0.190 Uiso 0.526(5) 1 calc R . P D 1
C17B C 0.70023(8) 0.5956(3) 0.7077(2) 0.180(3) Uani 1 1 d D U . . .
H17C H 0.692871 0.576416 0.685003 0.216 Uiso 1 1 calc R . . J 1
H17D H 0.696468 0.565268 0.719188 0.216 Uiso 1 1 calc R . . J 1
C17C C 0.55975(11) 0.4455(4) 0.2348(2) 0.203(3) Uani 0.712(4) 1 d D U P E 1
H17E H 0.574664 0.455576 0.253935 0.244 Uiso 0.712(4) 1 calc R . P E 1
H17F H 0.558915 0.438639 0.214768 0.244 Uiso 0.712(4) 1 calc R . P E 1
C17D C 0.55786(8) 0.3956(3) 0.55018(14) 0.120(3) Uani 1 1 d . . . . .
H17G H 0.552561 0.403598 0.527056 0.144 Uiso 1 1 calc R . . . .
H17H H 0.550915 0.352232 0.550202 0.144 Uiso 1 1 calc R . . . .
C17E C 0.69883(11) 0.9432(4) 0.55142(13) 0.190(3) Uani 1 1 d D U . . .
H17I H 0.713859 0.943126 0.560411 0.228 Uiso 1 1 calc R . . . .
H17J H 0.693398 0.893979 0.545144 0.228 Uiso 1 1 calc R . . . .
C17F C 0.52850(11) 0.2075(4) 0.50249(14) 0.174(3) Uani 0.661(8) 1 d D . P F 1
H17K H 0.513175 0.203768 0.491599 0.209 Uiso 0.661(8) 1 calc R . P F 1
H17M H 0.534151 0.250305 0.516739 0.209 Uiso 0.661(8) 1 calc R . P F 1
C17G C 0.57045(11) 0.8315(5) 0.6717(2) 0.237(3) Uani 0.585(6) 1 d D U P G 1
H17N H 0.568875 0.807060 0.653092 0.285 Uiso 0.585(6) 1 calc R . P G 1
H17O H 0.579725 0.873189 0.677948 0.285 Uiso 0.585(6) 1 calc R . P G 1
C17H C 0.53480(8) 0.7722(4) 0.34991(12) 0.112(2) Uani 1 1 d . . . . .
H17P H 0.524870 0.806928 0.332467 0.135 Uiso 1 1 calc R . . . .
H17Q H 0.528914 0.757725 0.361350 0.135 Uiso 1 1 calc R . . . .
C17I C 0.59483(9) 0.1185(3) 0.63716(13) 0.135(3) Uani 0.744(5) 1 d D . P H 1
H17R H 0.582503 0.097423 0.616099 0.163 Uiso 0.744(5) 1 calc R . P H 1
H17S H 0.607886 0.095884 0.643006 0.163 Uiso 0.744(5) 1 calc R . P H 1
C17J C 0.70335(12) 0.7101(4) 0.4842(3) 0.186(3) Uani 0.630(4) 1 d D . P I 1
H17T H 0.712868 0.681165 0.504534 0.223 Uiso 0.630(4) 1 calc R . P I 1
H17U H 0.708940 0.709914 0.471532 0.223 Uiso 0.630(4) 1 calc R . P I 1
C17K C 0.72100(10) 0.4523(5) 0.66807(16) 0.162(4) Uani 1 1 d . . . . .
H17V H 0.710318 0.490386 0.659768 0.194 Uiso 1 1 calc R . . . .
H17W H 0.734283 0.468923 0.689223 0.194 Uiso 1 1 calc R . . . .
C18A C 0.68622(11) 0.8794(4) 0.3954(2) 0.139(2) Uani 0.526(5) 1 d D U P D 1
H18A H 0.695165 0.898881 0.389868 0.167 Uiso 0.526(5) 1 calc R . P D 1
H18B H 0.694805 0.877708 0.419931 0.167 Uiso 0.526(5) 1 calc R . P D 1
C18B C 0.69241(9) 0.6706(3) 0.70524(17) 0.148(3) Uani 1 1 d D U . . .
H18C H 0.698440 0.686997 0.727901 0.177 Uiso 1 1 calc DR . . . .
H18D H 0.698038 0.701895 0.696776 0.177 Uiso 1 1 calc R . . . .
C18C C 0.54549(11) 0.5067(3) 0.2294(2) 0.177(3) Uani 0.712(4) 1 d D U P E 1
H18E H 0.538609 0.494937 0.239557 0.212 Uiso 0.712(4) 1 calc R . P E 1
H18F H 0.534242 0.513977 0.205239 0.212 Uiso 0.712(4) 1 calc R . P E 1
C18D C 0.58166(9) 0.3821(3) 0.57183(14) 0.122(3) Uani 1 1 d . . . . .
H18G H 0.586849 0.370141 0.594589 0.147 Uiso 1 1 calc R . . . .
H18H H 0.588801 0.426408 0.573218 0.147 Uiso 1 1 calc R . . . .
C18E C 0.69697(10) 0.9709(4) 0.57759(13) 0.158(3) Uani 1 1 d D U . . .
H18I H 0.681857 0.971316 0.568177 0.190 Uiso 1 1 calc R . . . .
H18J H 0.702247 1.020333 0.583386 0.190 Uiso 1 1 calc R . . . .
C18F C 0.53193(8) 0.2124(4) 0.47665(11) 0.178(3) Uani 1 1 d D U . . .
H18K H 0.525614 0.170481 0.461841 0.214 Uiso 0.661(8) 1 calc R . P F 1
H18M H 0.547305 0.212809 0.487706 0.214 Uiso 0.661(8) 1 calc R . P F 1
H18N H 0.530552 0.173410 0.462447 0.214 Uiso 0.339(8) 1 calc R . P F 2
H18O H 0.547173 0.220399 0.494900 0.214 Uiso 0.339(8) 1 calc R . P F 2
C18G C 0.58097(12) 0.7812(4) 0.70120(19) 0.196(3) Uani 0.585(6) 1 d D U P G 1
H18P H 0.569963 0.753841 0.699931 0.236 Uiso 0.585(6) 1 calc R . P G 1
H18Q H 0.589044 0.809049 0.722082 0.236 Uiso 0.585(6) 1 calc R . P G 1
C18H C 0.55554(8) 0.8077(4) 0.37439(12) 0.118(2) Uani 1 1 d . . . . .
H18R H 0.561087 0.824246 0.362697 0.142 Uiso 1 1 calc R . . . .
H18S H 0.565662 0.772383 0.391195 0.142 Uiso 1 1 calc R . . . .
C18I C 0.59555(9) 0.1980(3) 0.63312(15) 0.113(2) Uani 0.744(5) 1 d D . P H 1
H18T H 0.582022 0.218869 0.626094 0.136 Uiso 0.744(5) 1 calc R . P H 1
H18U H 0.596568 0.206411 0.615034 0.136 Uiso 0.744(5) 1 calc R . P H 1
C18J C 0.68058(12) 0.6792(4) 0.4627(3) 0.179(3) Uani 0.630(4) 1 d D . P I 1
H18V H 0.673841 0.689280 0.473268 0.215 Uiso 0.630(4) 1 calc R . P I 1
H18W H 0.671893 0.701430 0.440386 0.215 Uiso 0.630(4) 1 calc R . P I 1
C18K C 0.72488(10) 0.4414(4) 0.64401(17) 0.153(4) Uani 1 1 d . . . . .
H18X H 0.711591 0.424180 0.623031 0.183 Uiso 1 1 calc R . . . .
H18Y H 0.735560 0.403240 0.652463 0.183 Uiso 1 1 calc R . . . .
C19A C 0.66672(11) 0.9273(4) 0.38071(18) 0.1363(17) Uani 0.526(5) 1 d D U P D 1
C19B C 0.66853(8) 0.6797(3) 0.68319(14) 0.113(2) Uani 1 1 d D U . . .
H19A H 0.663052 0.653433 0.693237 0.136 Uiso 1 1 calc R . . . .
H19B H 0.662281 0.657846 0.661292 0.136 Uiso 1 1 calc R . . . .
C19C C 0.55850(10) 0.5750(3) 0.24496(18) 0.157(2) Uani 0.712(4) 1 d D U P E 1
H19C H 0.571751 0.564634 0.267431 0.189 Uiso 0.712(4) 1 calc R . P E 1
H19D H 0.562354 0.593448 0.231196 0.189 Uiso 0.712(4) 1 calc R . P E 1
C19D C 0.58802(8) 0.3226(3) 0.55922(12) 0.100(2) Uani 1 1 d . . . . .
H19E H 0.581386 0.277808 0.558716 0.120 Uiso 1 1 calc R . . . .
H19F H 0.582393 0.333587 0.536154 0.120 Uiso 1 1 calc R . . . .
C19E C 0.70956(9) 0.9254(3) 0.60920(14) 0.126(2) Uani 1 1 d . U . . .
H19G H 0.705511 0.875085 0.602926 0.151 Uiso 1 1 calc R . . . .
H19H H 0.724845 0.929724 0.619947 0.151 Uiso 1 1 calc R . . . .
C19F C 0.52157(11) 0.2810(4) 0.45587(16) 0.165(3) Uani 1 1 d D U . . .
H19I H 0.505986 0.278583 0.442887 0.198 Uiso 1 1 calc R . . . .
H19J H 0.526849 0.322732 0.470748 0.198 Uiso 1 1 calc R . . . .
C19G C 0.59611(11) 0.7296(4) 0.70160(19) 0.178(3) Uani 0.585(6) 1 d D U P G 1
H19K H 0.588618 0.705842 0.679756 0.214 Uiso 0.585(6) 1 calc R . P G 1
H19M H 0.608372 0.755799 0.706234 0.214 Uiso 0.585(6) 1 calc R . P G 1
C19H C 0.55472(8) 0.8706(4) 0.39226(12) 0.116(2) Uani 1 1 d . . . . .
H19N H 0.544097 0.904894 0.375394 0.139 Uiso 1 1 calc R . . . .
H19O H 0.549795 0.853631 0.404781 0.139 Uiso 1 1 calc R . . . .
C19I C 0.61408(7) 0.2375(4) 0.66475(14) 0.0978(18) Uani 0.744(5) 1 d D . P H 1
H19P H 0.614118 0.287604 0.658978 0.117 Uiso 0.744(5) 1 calc R . P H 1
H19Q H 0.611665 0.237037 0.681544 0.117 Uiso 0.744(5) 1 calc R . P H 1
C19J C 0.68187(14) 0.5984(4) 0.4595(2) 0.166(3) Uani 0.630(4) 1 d D . P I 1
H19R H 0.693381 0.588225 0.458048 0.200 Uiso 0.630(4) 1 calc R . P I 1
H19S H 0.685518 0.574972 0.479787 0.200 Uiso 0.630(4) 1 calc R . P I 1
C19K C 0.73263(9) 0.5066(4) 0.63588(15) 0.140(3) Uani 1 1 d . . . . .
H19T H 0.721725 0.544328 0.626164 0.168 Uiso 1 1 calc R . . . .
H19U H 0.745724 0.525278 0.656721 0.168 Uiso 1 1 calc R . . . .
C20A C 0.67468(13) 0.9925(4) 0.4040(2) 0.150(2) Uani 0.526(5) 1 d D U P D 1
H20A H 0.677610 0.978333 0.425168 0.180 Uiso 0.526(5) 1 calc R . P D 1
H20B H 0.688069 1.009937 0.409216 0.180 Uiso 0.526(5) 1 calc R . P D 1
C20B C 0.66109(7) 0.7563(3) 0.67773(11) 0.0916(17) Uani 1 1 d . U . . .
H20C H 0.667115 0.778301 0.699507 0.110 Uiso 1 1 calc R . . . .
H20D H 0.666491 0.782884 0.667647 0.110 Uiso 1 1 calc R . . . .
C20C C 0.54585(9) 0.6305(3) 0.24740(17) 0.142(2) Uani 0.712(4) 1 d D U P E 1
H20E H 0.542958 0.612665 0.262468 0.170 Uiso 0.712(4) 1 calc R . P E 1
H20F H 0.532043 0.636871 0.225136 0.170 Uiso 0.712(4) 1 calc R . P E 1
C20D C 0.61134(8) 0.3121(3) 0.57994(13) 0.104(2) Uani 1 1 d . . . . .
H20G H 0.616575 0.296296 0.602312 0.125 Uiso 1 1 calc R . . . .
H20H H 0.617976 0.358576 0.582609 0.125 Uiso 1 1 calc R . . . .
C20E C 0.70601(7) 0.9459(3) 0.63392(13) 0.109(2) Uani 1 1 d . U . . .
H20I H 0.690553 0.946998 0.622233 0.131 Uiso 1 1 calc R . . . .
H20J H 0.711424 0.994746 0.641720 0.131 Uiso 1 1 calc R . . . .
C20F C 0.52718(10) 0.2875(4) 0.43283(17) 0.158(3) Uani 1 1 d . U . . .
H20K H 0.520149 0.248490 0.416409 0.190 Uiso 1 1 calc R . . . .
H20L H 0.542663 0.280753 0.445990 0.190 Uiso 1 1 calc R . . . .
C20G C 0.60349(9) 0.6756(3) 0.72842(13) 0.149(2) Uani 1 1 d D U . . .
H20M H 0.591064 0.646085 0.721002 0.179 Uiso 0.585(6) 1 calc R . P G 1
H20N H 0.607548 0.701864 0.748359 0.179 Uiso 0.585(6) 1 calc R . P G 1
H20O H 0.589908 0.652287 0.710792 0.179 Uiso 0.415(6) 1 calc R . P G 2
H20P H 0.603443 0.685028 0.747430 0.179 Uiso 0.415(6) 1 calc R . P G 2
C20H C 0.57560(8) 0.9090(4) 0.41609(14) 0.122(3) Uani 1 1 d . . . . .
H20Q H 0.578918 0.933728 0.402722 0.146 Uiso 1 1 calc R . . . .
H20R H 0.586734 0.872731 0.429576 0.146 Uiso 1 1 calc R . . . .
C20I C 0.63516(5) 0.2058(3) 0.67957(12) 0.107(2) Uani 1 1 d D U . . .
H20S H 0.637040 0.203485 0.662178 0.128 Uiso 0.744(5) 1 calc R . P H 1
H20T H 0.635222 0.156442 0.686289 0.128 Uiso 0.744(5) 1 calc R . P H 1
H20U H 0.637417 0.154025 0.683593 0.128 Uiso 0.256(5) 1 calc R . P H 2
H20V H 0.634285 0.216681 0.659807 0.128 Uiso 0.256(5) 1 calc R . P H 2
C20J C 0.66136(12) 0.5674(3) 0.42937(19) 0.150(3) Uani 0.630(4) 1 d D . P I 1
H20W H 0.659821 0.580251 0.409198 0.180 Uiso 0.630(4) 1 calc R . P I 1
H20X H 0.649350 0.588862 0.427372 0.180 Uiso 0.630(4) 1 calc R . P I 1
C20K C 0.73695(9) 0.4893(4) 0.61231(17) 0.139(3) Uani 1 1 d . . . . .
H20Y H 0.724436 0.464307 0.593002 0.167 Uiso 1 1 calc R . . . .
HC H 0.749027 0.455794 0.623375 0.167 Uiso 1 1 calc R . . . .
C21A C 0.65823(15) 1.0519(4) 0.3878(3) 0.196(3) Uani 0.526(5) 1 d D U P D 1
H21A H 0.646753 1.041709 0.389387 0.235 Uiso 0.526(5) 1 calc R . P D 1
H21B H 0.651914 1.056737 0.364079 0.235 Uiso 0.526(5) 1 calc R . P D 1
C21B C 0.63707(6) 0.7624(2) 0.65532(9) 0.0784(15) Uani 1 1 d . . . . .
H21C H 0.632193 0.742335 0.667456 0.094 Uiso 1 1 calc R . . . .
H21D H 0.631239 0.732001 0.635619 0.094 Uiso 1 1 calc R . . . .
C21C C 0.55685(8) 0.7030(3) 0.26013(15) 0.1268(17) Uani 0.712(4) 1 d D U P E 1
C21D C 0.64367(7) 0.2563(4) 0.58974(15) 0.124(2) Uani 1 1 d . U . . .
H21E H 0.648906 0.304839 0.591224 0.149 Uiso 1 1 calc R . . . .
H21F H 0.648829 0.242422 0.612299 0.149 Uiso 1 1 calc R . . . .
C21E C 0.71626(7) 0.8980(3) 0.66428(13) 0.096(2) Uani 1 1 d . . . . .
C21F C 0.52124(8) 0.3571(3) 0.41404(15) 0.123(3) Uani 1 1 d . . . . .
C21G C 0.62220(6) 0.6234(4) 0.74001(14) 0.132(2) Uani 1 1 d D U . . .
C21H C 0.57741(7) 0.9632(4) 0.44007(13) 0.126(2) Uani 1 1 d D U . . .
C21I C 0.65401(6) 0.2447(3) 0.70947(11) 0.0891(19) Uani 1 1 d D . . . .
C21J C 0.66013(11) 0.4860(4) 0.4309(2) 0.152(2) Uani 0.630(4) 1 d D . P I 1
C21K C 0.74203(7) 0.5522(4) 0.59933(13) 0.118(2) Uani 1 1 d . U . . .
C21L C 0.4931(3) 1.0273(5) 0.3103(3) 0.229(5) Uani 0.338(2) 1 d D . P C 1
H21G H 0.505160 1.044177 0.311683 0.343 Uiso 0.338(2) 1 calc GR . P C 1
H21H H 0.490071 1.061177 0.321442 0.343 Uiso 0.338(2) 1 calc GR . P C 1
H21I H 0.480627 1.022838 0.286910 0.343 Uiso 0.338(2) 1 calc GR . P C 1
C22A C 0.67015(13) 1.1216(4) 0.40718(18) 0.250(3) Uani 0.526(5) 1 d D U P D 1
H22A H 0.685371 1.111018 0.424572 0.300 Uiso 0.526(5) 1 calc R . P D 1
H22B H 0.668953 1.156544 0.391643 0.300 Uiso 0.526(5) 1 calc R . P D 1
C22B C 0.60267(5) 0.8302(2) 0.62036(9) 0.0796(13) Uani 1 1 d . U . . .
H22C H 0.598169 0.794572 0.602879 0.095 Uiso 1 1 calc R . . . .
H22D H 0.598795 0.811441 0.634062 0.095 Uiso 1 1 calc R . . . .
C22C C 0.54110(8) 0.7526(3) 0.25848(15) 0.1316(18) Uani 0.712(4) 1 d D U P E 1
H22E H 0.529177 0.762171 0.234852 0.158 Uiso 0.712(4) 1 calc R . P E 1
H22F H 0.535268 0.728149 0.268387 0.158 Uiso 0.712(4) 1 calc R . P E 1
C22D C 0.65309(6) 0.2061(4) 0.57877(18) 0.158(3) Uani 1 1 d D U . . .
H22G H 0.648914 0.218519 0.556627 0.190 Uiso 0.491(6) 1 calc R . P B 1
H22H H 0.649552 0.155892 0.578978 0.190 Uiso 0.491(6) 1 calc R . P B 1
H22I H 0.646776 0.219308 0.555606 0.190 Uiso 0.509(6) 1 calc R . P B 2
H22J H 0.647611 0.158276 0.577746 0.190 Uiso 0.509(6) 1 calc R . P B 2
C22E C 0.70913(7) 0.9231(3) 0.68460(13) 0.109(2) Uani 1 1 d . U . . .
H22K H 0.713435 0.973278 0.690895 0.131 Uiso 1 1 calc R . . . .
H22L H 0.693458 0.921561 0.670055 0.131 Uiso 1 1 calc R . . . .
C22F C 0.52830(9) 0.3529(4) 0.39205(13) 0.166(2) Uani 1 1 d D U . . .
H22M H 0.543603 0.341391 0.406581 0.200 Uiso 1 1 calc R . . . .
H22N H 0.520744 0.312652 0.376484 0.200 Uiso 1 1 calc R . . . .
C22G C 0.64450(9) 0.6549(4) 0.7626(2) 0.128(2) Uani 0.627(4) 1 d D . P K 1
H22O H 0.646246 0.687180 0.749165 0.153 Uiso 0.627(4) 1 calc R . P K 1
H22P H 0.645748 0.683891 0.779878 0.153 Uiso 0.627(4) 1 calc R . P K 1
C22H C 0.59855(9) 0.9982(5) 0.46838(17) 0.133(3) Uani 0.501(5) 1 d D U P L 1
H22Q H 0.596467 1.028116 0.482074 0.160 Uiso 0.501(5) 1 calc R . P L 1
H22R H 0.609138 0.961184 0.482872 0.160 Uiso 0.501(5) 1 calc R . P L 1
C22I C 0.67528(7) 0.2031(3) 0.72346(13) 0.127(2) Uani 1 1 d D U . . .
H22S H 0.687019 0.228218 0.743747 0.152 Uiso 1 1 calc R . . . .
H22T H 0.674195 0.155590 0.730516 0.152 Uiso 1 1 calc R . . . .
C22J C 0.63679(11) 0.4620(4) 0.4054(2) 0.159(2) Uani 0.630(4) 1 d D . P I 1
H22U H 0.627973 0.488528 0.409539 0.190 Uiso 0.630(4) 1 calc R . P I 1
H22V H 0.631751 0.474230 0.382707 0.190 Uiso 0.630(4) 1 calc R . P I 1
C22K C 0.74441(8) 0.5217(4) 0.57393(13) 0.143(2) Uani 1 1 d D U . . .
H22W H 0.755577 0.484879 0.585265 0.172 Uiso 1 1 calc R . . . .
H22X H 0.730967 0.497757 0.556277 0.172 Uiso 1 1 calc R . . . .
C22L C 0.49840(12) 0.9546(5) 0.3274(2) 0.209(3) Uani 0.338(2) 1 d D . P C 1
H22Y H 0.504314 0.923203 0.319393 0.250 Uiso 0.338(2) 1 calc R . P C 1
HD H 0.509244 0.960429 0.351701 0.250 Uiso 0.338(2) 1 calc R . P C 1
C23A C 0.6758(3) 1.2145(5) 0.44633(19) 0.289(4) Uani 0.526(5) 1 d D U P D 1
H23A H 0.685793 1.226022 0.441711 0.347 Uiso 0.526(5) 1 calc R . P D 1
H23B H 0.667296 1.257431 0.441941 0.347 Uiso 0.526(5) 1 calc R . P D 1
C23B C 0.59031(6) 0.8969(3) 0.60377(12) 0.0977(16) Uani 1 1 d D U . . .
H23C H 0.593523 0.915036 0.589137 0.117 Uiso 1 1 calc R . . . .
H23D H 0.594834 0.933306 0.620943 0.117 Uiso 1 1 calc R . . . .
C23C C 0.55062(9) 0.8231(3) 0.27631(18) 0.146(2) Uani 0.712(4) 1 d D U P E 1
H23E H 0.557050 0.847156 0.267250 0.175 Uiso 0.712(4) 1 calc R . P E 1
H23F H 0.561959 0.814347 0.300283 0.175 Uiso 0.712(4) 1 calc R . P E 1
C23D C 0.67687(10) 0.2235(6) 0.6075(2) 0.195(3) Uani 0.491(6) 1 d D U P B 1
H23G H 0.680479 0.271951 0.605073 0.233 Uiso 0.491(6) 1 calc R . P B 1
H23H H 0.679949 0.219576 0.629459 0.233 Uiso 0.491(6) 1 calc R . P B 1
C23E C 0.71758(8) 0.8816(3) 0.71577(14) 0.117(2) Uani 1 1 d . U . . .
H23I H 0.733261 0.883610 0.730760 0.140 Uiso 1 1 calc R . . . .
H23J H 0.713334 0.831327 0.709802 0.140 Uiso 1 1 calc R . . . .
C23F C 0.52495(7) 0.4164(4) 0.37224(10) 0.174(2) Uani 1 1 d D U . . .
H23K H 0.532388 0.456562 0.387918 0.209 Uiso 0.649(7) 1 calc R . P M 1
H23L H 0.509627 0.427601 0.357769 0.209 Uiso 0.649(7) 1 calc R . P M 1
H23M H 0.527589 0.460556 0.384780 0.209 Uiso 0.351(7) 1 calc R . P M 2
H23N H 0.510370 0.417600 0.350992 0.209 Uiso 0.351(7) 1 calc R . P M 2
C23G C 0.66257(9) 0.6016(4) 0.7798(2) 0.133(2) Uani 0.627(4) 1 d D . P K 1
H23O H 0.662680 0.577652 0.762633 0.160 Uiso 0.627(4) 1 calc R . P K 1
H23P H 0.659688 0.564921 0.790395 0.160 Uiso 0.627(4) 1 calc R . P K 1
C23H C 0.60651(9) 1.0436(5) 0.45347(19) 0.149(3) Uani 0.501(5) 1 d D U P L 1
H23Q H 0.597041 1.085082 0.442180 0.178 Uiso 0.501(5) 1 calc R . P L 1
H23R H 0.605899 1.015525 0.436523 0.178 Uiso 0.501(5) 1 calc R . P L 1
C23I C 0.68155(6) 0.1930(3) 0.70241(15) 0.147(2) Uani 1 1 d D U . . .
H23S H 0.681745 0.238692 0.693075 0.176 Uiso 0.439(7) 1 calc R . P N 1
H23T H 0.671757 0.160030 0.683899 0.176 Uiso 0.439(7) 1 calc R . P N 1
H23U H 0.684933 0.239836 0.698010 0.176 Uiso 0.561(7) 1 calc R . P N 2
H23V H 0.669342 0.173322 0.680813 0.176 Uiso 0.561(7) 1 calc R . P N 2
C23J C 0.63369(11) 0.3819(4) 0.4069(3) 0.181(3) Uani 0.630(4) 1 d D . P I 1
H23W H 0.638836 0.368385 0.429493 0.217 Uiso 0.630(4) 1 calc R . P I 1
H23X H 0.641703 0.354346 0.401457 0.217 Uiso 0.630(4) 1 calc R . P I 1
C23K C 0.74966(8) 0.5717(4) 0.55777(10) 0.161(2) Uani 1 1 d D U . . .
H23Y H 0.760817 0.604193 0.575036 0.194 Uiso 0.375(7) 1 calc R . P O 1
HE H 0.736933 0.600774 0.541816 0.194 Uiso 0.375(7) 1 calc R . P O 1
HF H 0.764349 0.589403 0.573908 0.194 Uiso 0.625(7) 1 calc R . P O 2
HG H 0.739846 0.612658 0.548383 0.194 Uiso 0.625(7) 1 calc R . P O 2
C23L C 0.47861(10) 0.9208(7) 0.31981(12) 0.179(2) Uani 0.338(2) 1 d D . P C 1
H23Z H 0.476961 0.871798 0.311596 0.215 Uiso 0.338(2) 1 calc R . P C 1
HH H 0.465902 0.948430 0.302461 0.215 Uiso 0.338(2) 1 calc R . P C 1
C24A C 0.6883(4) 1.1921(11) 0.4830(2) 0.327(8) Uani 0.526(5) 1 d D U P D 1
H24A H 0.683094 1.218952 0.493181 0.491 Uiso 0.526(5) 1 calc GR . P D 1
H24B H 0.703362 1.201875 0.495074 0.491 Uiso 0.526(5) 1 calc GR . P D 1
H24C H 0.686219 1.141259 0.484188 0.491 Uiso 0.526(5) 1 calc GR . P D 1
C24B C 0.56681(6) 0.8855(3) 0.58347(11) 0.1105(18) Uani 1 1 d D U . . .
H24D H 0.563776 0.867558 0.598353 0.133 Uiso 0.655(6) 1 calc R . P P 1
H24E H 0.562527 0.848129 0.566779 0.133 Uiso 0.655(6) 1 calc R . P P 1
H24F H 0.563334 0.838829 0.572316 0.133 Uiso 0.345(6) 1 calc R . P P 2
H24G H 0.559534 0.922143 0.565855 0.133 Uiso 0.345(6) 1 calc R . P P 2
C24C C 0.53347(10) 0.8717(4) 0.27189(18) 0.162(2) Uani 0.712(4) 1 d D U P E 1
H24H H 0.523639 0.888095 0.248549 0.195 Uiso 0.712(4) 1 calc R . P E 1
H24I H 0.525173 0.844527 0.276906 0.195 Uiso 0.712(4) 1 calc R . P E 1
C24D C 0.68948(10) 0.1667(6) 0.60392(15) 0.222(3) Uani 0.491(6) 1 d D U P B 1
H24J H 0.704495 0.165748 0.624058 0.266 Uiso 0.491(6) 1 calc R . P B 1
H24K H 0.683292 0.118991 0.600580 0.266 Uiso 0.491(6) 1 calc R . P B 1
C24E C 0.70957(8) 0.9097(4) 0.73429(13) 0.136(2) Uani 1 1 d D U . . .
H24L H 0.714683 0.959010 0.741464 0.163 Uiso 1 1 calc R . . . .
H24M H 0.693893 0.911252 0.718611 0.163 Uiso 1 1 calc R . . . .
C24F C 0.53181(10) 0.4148(5) 0.35032(13) 0.187(2) Uani 0.649(7) 1 d D . P M 1
H24N H 0.526163 0.371084 0.336678 0.225 Uiso 0.649(7) 1 calc R . P M 1
H24O H 0.547472 0.412083 0.364796 0.225 Uiso 0.649(7) 1 calc R . P M 1
C24G C 0.68446(10) 0.6323(5) 0.8060(3) 0.157(2) Uani 0.627(4) 1 d D . P K 1
H24P H 0.684133 0.659115 0.822294 0.188 Uiso 0.627(4) 1 calc R . P K 1
H24Q H 0.687842 0.666299 0.795078 0.188 Uiso 0.627(4) 1 calc R . P K 1
C24H C 0.62921(10) 1.0697(5) 0.4797(2) 0.176(3) Uani 0.501(5) 1 d D U P L 1
H24R H 0.639193 1.029419 0.487608 0.211 Uiso 0.501(5) 1 calc R . P L 1
H24S H 0.630657 1.089510 0.498902 0.211 Uiso 0.501(5) 1 calc R . P L 1
C24I C 0.70429(9) 0.1607(7) 0.72624(17) 0.165(2) Uani 0.439(7) 1 d D U P N 1
H24T H 0.713872 0.196697 0.743193 0.198 Uiso 0.439(7) 1 calc R . P N 1
H24U H 0.703898 0.119781 0.737997 0.198 Uiso 0.439(7) 1 calc R . P N 1
C24J C 0.60922(10) 0.3661(4) 0.3807(3) 0.213(3) Uani 0.630(4) 1 d D . P I 1
H24V H 0.600996 0.403749 0.381648 0.256 Uiso 0.630(4) 1 calc R . P I 1
H24W H 0.605049 0.365324 0.357998 0.256 Uiso 0.630(4) 1 calc R . P I 1
C24K C 0.75733(12) 0.5395(8) 0.53902(15) 0.185(3) Uani 0.375(7) 1 d D U P O 1
H24X H 0.764299 0.576372 0.535011 0.222 Uiso 0.375(7) 1 calc R . P O 1
H24Y H 0.767686 0.501088 0.552406 0.222 Uiso 0.375(7) 1 calc R . P O 1
C24L C 0.48105(12) 0.9203(4) 0.35203(12) 0.151(2) Uani 0.338(2) 1 d D . P C 1
H24Z H 0.467147 0.926975 0.347186 0.182 Uiso 0.338(2) 1 calc R . P C 1
HI H 0.490742 0.958517 0.367180 0.182 Uiso 0.338(2) 1 calc R . P C 1
C25A C 0.66093(13) 1.1532(5) 0.42330(18) 0.276(3) Uani 0.526(5) 1 d D U P D 1
H25A H 0.660157 1.116560 0.436391 0.332 Uiso 0.526(5) 1 calc R . P D 1
H25B H 0.646466 1.171468 0.406021 0.332 Uiso 0.526(5) 1 calc R . P D 1
C25B C 0.55331(9) 0.9503(4) 0.5656(2) 0.132(2) Uani 0.655(6) 1 d D U P P 1
H25C H 0.556698 0.969867 0.551419 0.158 Uiso 0.655(6) 1 calc R . P P 1
H25D H 0.556827 0.986846 0.582214 0.158 Uiso 0.655(6) 1 calc R . P P 1
C25C C 0.54380(10) 0.9357(4) 0.29513(18) 0.180(3) Uani 0.712(4) 1 d D U P E 1
H25E H 0.554420 0.918601 0.318199 0.216 Uiso 0.712(4) 1 calc R . P E 1
H25F H 0.551390 0.963849 0.289069 0.216 Uiso 0.712(4) 1 calc R . P E 1
C25D C 0.68769(9) 0.1892(10) 0.57320(15) 0.241(4) Uani 0.491(6) 1 d D U P B 1
H25G H 0.680399 0.235607 0.564892 0.289 Uiso 0.491(6) 1 calc R . P B 1
H25H H 0.679240 0.153797 0.555243 0.289 Uiso 0.491(6) 1 calc R . P B 1
C25E C 0.71624(7) 0.8674(4) 0.76400(11) 0.157(2) Uani 1 1 d D U . . .
H25I H 0.731688 0.873421 0.781554 0.188 Uiso 0.681(8) 1 calc R . P Q 1
H25J H 0.713539 0.816590 0.757860 0.188 Uiso 0.681(8) 1 calc R . P Q 1
H25K H 0.731424 0.855432 0.776622 0.188 Uiso 0.319(8) 1 calc R . P Q 2
H25L H 0.708233 0.822277 0.756106 0.188 Uiso 0.319(8) 1 calc R . P Q 2
C25F C 0.52461(9) 0.4784(5) 0.32721(13) 0.192(3) Uani 0.649(7) 1 d D . P M 1
H25M H 0.528902 0.522334 0.340559 0.230 Uiso 0.649(7) 1 calc R . P M 1
H25N H 0.508940 0.478062 0.311074 0.230 Uiso 0.649(7) 1 calc R . P M 1
C25G C 0.70216(11) 0.5772(5) 0.8246(3) 0.172(2) Uani 0.627(4) 1 d D . P K 1
H25O H 0.704019 0.554694 0.809047 0.207 Uiso 0.627(4) 1 calc R . P K 1
H25P H 0.698176 0.539669 0.833384 0.207 Uiso 0.627(4) 1 calc R . P K 1
C25H C 0.63461(12) 1.1273(4) 0.4644(2) 0.208(3) Uani 0.501(5) 1 d D U P L 1
H25Q H 0.648742 1.118027 0.470391 0.250 Uiso 0.501(5) 1 calc R . P L 1
H25R H 0.623999 1.126794 0.439843 0.250 Uiso 0.501(5) 1 calc R . P L 1
C25I C 0.71355(9) 0.1363(5) 0.70952(16) 0.192(3) Uani 0.439(7) 1 d D U P N 1
H25S H 0.702602 0.110615 0.688771 0.231 Uiso 0.439(7) 1 calc R . P N 1
H25T H 0.725423 0.103172 0.724370 0.231 Uiso 0.439(7) 1 calc R . P N 1
C25J C 0.60450(10) 0.2938(4) 0.3888(3) 0.249(3) Uani 0.630(4) 1 d D . P I 1
H25U H 0.608999 0.255536 0.381102 0.299 Uiso 0.630(4) 1 calc R . P I 1
H25V H 0.612806 0.289231 0.413159 0.299 Uiso 0.630(4) 1 calc R . P I 1
C25K C 0.73810(14) 0.5101(9) 0.50612(14) 0.202(3) Uani 0.375(7) 1 d D U P O 1
H25W H 0.725188 0.530423 0.501667 0.243 Uiso 0.375(7) 1 calc R . P O 1
H25X H 0.737640 0.458118 0.508405 0.243 Uiso 0.375(7) 1 calc R . P O 1
C25L C 0.49039(14) 0.8465(4) 0.36777(12) 0.122(2) Uani 0.338(2) 1 d D . P C 1
H25Y H 0.480356 0.808821 0.352685 0.147 Uiso 0.338(2) 1 calc R . P C 1
HJ H 0.503852 0.839315 0.371225 0.147 Uiso 0.338(2) 1 calc R . P C 1
C26A C 0.62836(7) 0.8323(4) 0.42329(10) 0.1097(17) Uani 1 1 d . U . . .
C26B C 0.52946(10) 0.9342(5) 0.5439(2) 0.158(3) Uani 0.655(6) 1 d D U P P 1
H26A H 0.524288 0.941879 0.556931 0.190 Uiso 0.655(6) 1 calc R . P P 1
H26B H 0.526928 0.883888 0.536769 0.190 Uiso 0.655(6) 1 calc R . P P 1
C26C C 0.52804(11) 0.9836(4) 0.2939(2) 0.217(4) Uani 0.712(4) 1 d D U P E 1
H26C H 0.523570 0.962131 0.306357 0.260 Uiso 0.712(4) 1 calc R . P E 1
H26D H 0.515326 0.991519 0.270623 0.260 Uiso 0.712(4) 1 calc R . P E 1
C26D C 0.71011(10) 0.1949(13) 0.5829(3) 0.272(8) Uani 0.491(6) 1 d D U P B 1
H26E H 0.716327 0.240935 0.593417 0.408 Uiso 0.491(6) 1 calc GR . P B 1
H26F H 0.709141 0.190600 0.562855 0.408 Uiso 0.491(6) 1 calc GR . P B 1
H26G H 0.719066 0.156777 0.598440 0.408 Uiso 0.491(6) 1 calc GR . P B 1
C26E C 0.70451(10) 0.8891(6) 0.77839(13) 0.179(3) Uani 0.681(8) 1 d D . P Q 1
H26H H 0.705750 0.940921 0.782219 0.215 Uiso 0.681(8) 1 calc R . P Q 1
H26I H 0.689273 0.877226 0.762087 0.215 Uiso 0.681(8) 1 calc R . P Q 1
C26F C 0.53358(9) 0.4806(8) 0.30772(15) 0.208(3) Uani 0.649(7) 1 d D . P M 1
H26J H 0.525985 0.516505 0.289803 0.249 Uiso 0.649(7) 1 calc R . P M 1
H26K H 0.531936 0.433747 0.297589 0.249 Uiso 0.649(7) 1 calc R . P M 1
C26G C 0.72305(12) 0.6112(5) 0.8534(3) 0.190(3) Uani 0.627(4) 1 d D . P K 1
H26L H 0.721436 0.634042 0.869117 0.227 Uiso 0.627(4) 1 calc R . P K 1
H26M H 0.727524 0.647635 0.844879 0.227 Uiso 0.627(4) 1 calc R . P K 1
C26H C 0.63451(14) 1.1999(4) 0.4780(2) 0.228(4) Uani 0.501(5) 1 d D U P L 1
H26N H 0.619763 1.213594 0.467994 0.273 Uiso 0.501(5) 1 calc R . P L 1
H26O H 0.642609 1.196874 0.502402 0.273 Uiso 0.501(5) 1 calc R . P L 1
C26I C 0.72161(11) 0.2003(5) 0.70135(16) 0.213(4) Uani 0.439(7) 1 d D U P N 1
H26P H 0.733693 0.223279 0.722032 0.255 Uiso 0.439(7) 1 calc R . P N 1
H26Q H 0.710188 0.235709 0.687961 0.255 Uiso 0.439(7) 1 calc R . P N 1
C46J C 0.58109(10) 0.2852(4) 0.3723(3) 0.271(4) Uani 0.630(4) 1 d D . P I 1
H46A H 0.572445 0.305190 0.349525 0.325 Uiso 0.630(4) 1 calc R . P I 1
H46B H 0.577569 0.311034 0.385170 0.325 Uiso 0.630(4) 1 calc R . P I 1
C26K C 0.73744(11) 0.5248(8) 0.47599(15) 0.217(4) Uani 0.375(7) 1 d D U P O 1
H26R H 0.722990 0.515116 0.455348 0.261 Uiso 0.375(7) 1 calc R . P O 1
H26S H 0.740599 0.575514 0.475892 0.261 Uiso 0.375(7) 1 calc R . P O 1
C26L C 0.49435(13) 0.8422(4) 0.40100(11) 0.1029(19) Uani 0.338(2) 1 d D . P C 1
H26T H 0.482117 0.863644 0.398337 0.123 Uiso 0.338(2) 1 calc R . P C 1
H26U H 0.507006 0.870998 0.417476 0.123 Uiso 0.338(2) 1 calc R . P C 1
C27A C 0.63029(8) 0.8202(4) 0.44803(12) 0.1139(18) Uani 1 1 d . U . . .
C27B C 0.5173(4) 0.9827(8) 0.5131(3) 0.228(6) Uani 0.215(9) 1 d D U P P 1
H27A H 0.525659 1.025443 0.517693 0.342 Uiso 0.215(9) 1 calc GR . P P 1
H27B H 0.503684 0.996221 0.507732 0.342 Uiso 0.215(9) 1 calc GR . P P 1
H27C H 0.514723 0.957373 0.494146 0.342 Uiso 0.215(9) 1 calc GR . P P 1
C27C C 0.5397(2) 1.0534(5) 0.3099(3) 0.261(7) Uani 0.712(4) 1 d D U P E 1
H27D H 0.529618 1.089023 0.306589 0.391 Uiso 0.712(4) 1 calc GR . P E 1
H27E H 0.546046 1.069806 0.299722 0.391 Uiso 0.712(4) 1 calc GR . P E 1
H27F H 0.550806 1.046055 0.333812 0.391 Uiso 0.712(4) 1 calc GR . P E 1
C27D C 0.61919(7) 0.2577(3) 0.56648(13) 0.101(2) Uani 1 1 d . U . . .
C27E C 0.71403(17) 0.8500(6) 0.81139(17) 0.202(6) Uani 0.681(8) 1 d D . P Q 1
H27G H 0.710149 0.799693 0.806871 0.303 Uiso 0.681(8) 1 calc GR . P Q 1
H27H H 0.708486 0.870903 0.822186 0.303 Uiso 0.681(8) 1 calc GR . P Q 1
H27I H 0.729495 0.854573 0.826061 0.303 Uiso 0.681(8) 1 calc GR . P Q 1
C27F C 0.55747(12) 0.5002(9) 0.3332(3) 0.233(6) Uani 0.649(7) 1 d D . P M 1
H27J H 0.558946 0.551895 0.335829 0.349 Uiso 0.649(7) 1 calc GR . P M 1
H27K H 0.565084 0.482993 0.325124 0.349 Uiso 0.649(7) 1 calc GR . P M 1
H27L H 0.563422 0.478218 0.354706 0.349 Uiso 0.649(7) 1 calc GR . P M 1
C27G C 0.73950(15) 0.5513(6) 0.8707(4) 0.227(5) Uani 0.627(4) 1 d D . P K 1
H27M H 0.747852 0.550626 0.862599 0.341 Uiso 0.627(4) 1 calc GR . P K 1
H27N H 0.732222 0.505673 0.865715 0.341 Uiso 0.627(4) 1 calc GR . P K 1
H27O H 0.748920 0.559206 0.894755 0.341 Uiso 0.627(4) 1 calc GR . P K 1
C27H C 0.64441(15) 1.2556(5) 0.4698(3) 0.245(7) Uani 0.501(5) 1 d D U P L 1
H27P H 0.649182 1.295990 0.485022 0.368 Uiso 0.501(5) 1 calc GR . P L 1
H27Q H 0.633882 1.271830 0.446878 0.368 Uiso 0.501(5) 1 calc GR . P L 1
H27R H 0.656550 1.234991 0.472371 0.368 Uiso 0.501(5) 1 calc GR . P L 1
C27I C 0.72869(13) 0.1698(10) 0.68121(18) 0.281(8) Uani 0.439(7) 1 d D U P N 1
H27S H 0.727074 0.206323 0.666157 0.421 Uiso 0.439(7) 1 calc GR . P N 1
H27T H 0.719881 0.128696 0.668239 0.421 Uiso 0.439(7) 1 calc GR . P N 1
H27U H 0.743577 0.155152 0.696599 0.421 Uiso 0.439(7) 1 calc GR . P N 1
C27J C 0.57618(18) 0.2061(4) 0.3708(4) 0.309(8) Uani 0.630(4) 1 d D . P I 1
H27V H 0.560800 0.199272 0.356834 0.463 Uiso 0.630(4) 1 calc GR . P I 1
H27W H 0.582717 0.188703 0.393322 0.463 Uiso 0.630(4) 1 calc GR . P I 1
H27X H 0.581877 0.179745 0.361391 0.463 Uiso 0.630(4) 1 calc GR . P I 1
C27K C 0.75336(12) 0.4792(8) 0.4764(3) 0.227(6) Uani 0.375(7) 1 d D U P O 1
H27Y H 0.767699 0.488618 0.496732 0.341 Uiso 0.375(7) 1 calc GR . P O 1
HK H 0.752626 0.490726 0.456967 0.341 Uiso 0.375(7) 1 calc GR . P O 1
HL H 0.749964 0.428889 0.475590 0.341 Uiso 0.375(7) 1 calc GR . P O 1
C27L C 0.49773(12) 0.7669(4) 0.41499(14) 0.0907(17) Uani 0.338(2) 1 d D . P C 1
C28A C 0.72375(17) 0.6049(7) 0.3847(2) 0.328(9) Uani 0.474(5) 1 d D . P D 2
H28A H 0.711350 0.611421 0.361374 0.493 Uiso 0.474(5) 1 calc GR . P D 2
H28B H 0.724410 0.555522 0.391208 0.493 Uiso 0.474(5) 1 calc GR . P D 2
H28C H 0.736638 0.616483 0.387335 0.493 Uiso 0.474(5) 1 calc GR . P D 2
C28B C 0.55779(8) 0.8876(10) 0.60197(17) 0.132(2) Uani 0.345(6) 1 d D . P P 2
H28D H 0.561583 0.933583 0.613717 0.158 Uiso 0.345(6) 1 calc R . P P 2
H28E H 0.564612 0.849733 0.619048 0.158 Uiso 0.345(6) 1 calc R . P P 2
C28C C 0.5566(4) 0.3166(5) 0.2341(7) 0.281(7) Uani 0.288(4) 1 d D . P E 2
H28F H 0.555792 0.301473 0.251674 0.421 Uiso 0.288(4) 1 calc GR . P E 2
H28G H 0.571478 0.318178 0.243045 0.421 Uiso 0.288(4) 1 calc GR . P E 2
H28H H 0.548859 0.282793 0.215641 0.421 Uiso 0.288(4) 1 calc GR . P E 2
C28D C 0.67693(8) 0.1975(6) 0.5971(2) 0.195(3) Uani 0.509(6) 1 d D . P B 2
H28I H 0.684365 0.200086 0.621330 0.233 Uiso 0.509(6) 1 calc R . P B 2
H28J H 0.679547 0.149827 0.592201 0.233 Uiso 0.509(6) 1 calc R . P B 2
C28E C 0.71332(15) 0.9020(5) 0.78817(17) 0.179(3) Uani 0.319(8) 1 d D U P Q 2
H28K H 0.702140 0.876440 0.787139 0.215 Uiso 0.319(8) 1 calc R . P Q 2
H28L H 0.726682 0.898231 0.811165 0.215 Uiso 0.319(8) 1 calc R . P Q 2
C28F C 0.5481(3) 0.1595(10) 0.5495(2) 0.192(6) Uani 0.339(8) 1 d D . P F 2
H28M H 0.559973 0.178204 0.550618 0.288 Uiso 0.339(8) 1 calc GR . P F 2
H28N H 0.553318 0.121964 0.566143 0.288 Uiso 0.339(8) 1 calc GR . P F 2
H28O H 0.541927 0.197749 0.553926 0.288 Uiso 0.339(8) 1 calc GR . P F 2
C28G C 0.5623(3) 0.9018(13) 0.67930(19) 0.277(8) Uani 0.415(6) 1 d D . P G 2
H28P H 0.571004 0.878086 0.674486 0.416 Uiso 0.415(6) 1 calc GR . P G 2
H28Q H 0.559626 0.950920 0.671312 0.416 Uiso 0.415(6) 1 calc GR . P G 2
H28R H 0.548783 0.876723 0.668047 0.416 Uiso 0.415(6) 1 calc GR . P G 2
C28H C 0.60107(10) 0.9839(5) 0.45858(18) 0.133(3) Uani 0.499(5) 1 d D . P L 2
H28S H 0.609921 0.940598 0.466868 0.160 Uiso 0.499(5) 1 calc R . P L 2
H28T H 0.602599 1.008108 0.442971 0.160 Uiso 0.499(5) 1 calc R . P L 2
C28I C 0.5768(2) 0.0499(8) 0.6765(2) 0.187(5) Uani 0.256(5) 1 d D U P H 2
H28U H 0.568365 0.060501 0.684033 0.280 Uiso 0.256(5) 1 calc GR . P H 2
H28V H 0.591750 0.059528 0.694570 0.280 Uiso 0.256(5) 1 calc GR . P H 2
H28W H 0.574980 -0.000123 0.670099 0.280 Uiso 0.256(5) 1 calc GR . P H 2
C28J C 0.73727(13) 0.7665(13) 0.5209(6) 0.215(6) Uani 0.370(4) 1 d D U P I 2
H28X H 0.744280 0.810658 0.522469 0.322 Uiso 0.370(4) 1 calc GR . P I 2
H28Y H 0.741800 0.727937 0.513719 0.322 Uiso 0.370(4) 1 calc GR . P I 2
HM H 0.741133 0.754989 0.542740 0.322 Uiso 0.370(4) 1 calc GR . P I 2
C28K C 0.74719(11) 0.5276(5) 0.52919(13) 0.185(3) Uani 0.625(7) 1 d D . P O 2
H28Z H 0.756341 0.484971 0.538559 0.222 Uiso 0.625(7) 1 calc R . P O 2
HN H 0.732303 0.512153 0.512518 0.222 Uiso 0.625(7) 1 calc R . P O 2
C28L C 0.50664(15) 0.7762(4) 0.45141(13) 0.0924(17) Uani 0.338(2) 1 d D . P C 1
H28 H 0.520380 0.801377 0.463493 0.111 Uiso 0.338(2) 1 calc R . P C 1
HO H 0.496833 0.806844 0.451947 0.111 Uiso 0.338(2) 1 calc R . P C 1
C29A C 0.72195(12) 0.6544(6) 0.4069(2) 0.250(4) Uani 0.474(5) 1 d D . P D 2
H29A H 0.733429 0.690218 0.417629 0.300 Uiso 0.474(5) 1 calc R . P D 2
H29B H 0.723309 0.626550 0.424545 0.300 Uiso 0.474(5) 1 calc R . P D 2
C29B C 0.53370(11) 0.8782(5) 0.5804(4) 0.158(3) Uani 0.345(6) 1 d D . P P 2
H29C H 0.529343 0.841042 0.563545 0.190 Uiso 0.345(6) 1 calc R . P P 2
H29D H 0.530067 0.861115 0.594603 0.190 Uiso 0.345(6) 1 calc R . P P 2
C29C C 0.5467(3) 0.3909(4) 0.2217(3) 0.242(4) Uani 0.288(4) 1 d D . P E 2
H29E H 0.531581 0.389471 0.212248 0.290 Uiso 0.288(4) 1 calc R . P E 2
H29F H 0.547489 0.406550 0.203980 0.290 Uiso 0.288(4) 1 calc R . P E 2
C29D C 0.71004(10) 0.2371(6) 0.6049(2) 0.241(4) Uani 0.509(6) 1 d D . P B 2
H29G H 0.711744 0.223725 0.587890 0.289 Uiso 0.509(6) 1 calc R . P B 2
H29H H 0.718738 0.279817 0.616705 0.289 Uiso 0.509(6) 1 calc R . P B 2
C29E C 0.7072(3) 0.9799(5) 0.7795(5) 0.202(6) Uani 0.319(8) 1 d D U P Q 2
H29I H 0.692955 0.983341 0.758160 0.303 Uiso 0.319(8) 1 calc GR . P Q 2
H29J H 0.717363 1.003993 0.778019 0.303 Uiso 0.319(8) 1 calc GR . P Q 2
H29K H 0.707232 1.002277 0.796904 0.303 Uiso 0.319(8) 1 calc GR . P Q 2
C29F C 0.5311(3) 0.1286(5) 0.5144(2) 0.176(3) Uani 0.339(8) 1 d D . P F 2
H29L H 0.537734 0.097708 0.507454 0.212 Uiso 0.339(8) 1 calc R . P F 2
H29M H 0.520606 0.100423 0.514163 0.212 Uiso 0.339(8) 1 calc R . P F 2
C29G C 0.57408(18) 0.9015(5) 0.71716(19) 0.257(4) Uani 0.415(6) 1 d D . P G 2
H29N H 0.563921 0.896525 0.721967 0.308 Uiso 0.415(6) 1 calc R . P G 2
H29O H 0.582132 0.946132 0.727325 0.308 Uiso 0.415(6) 1 calc R . P G 2
C29H C 0.60860(10) 1.0331(5) 0.48774(19) 0.149(3) Uani 0.499(5) 1 d D . P L 2
H29P H 0.608340 1.007053 0.504299 0.178 Uiso 0.499(5) 1 calc R . P L 2
H29Q H 0.598716 1.073714 0.479642 0.178 Uiso 0.499(5) 1 calc R . P L 2
C29I C 0.56923(10) 0.0966(7) 0.64656(17) 0.151(3) Uani 0.256(5) 1 d D U P H 2
H29R H 0.555867 0.077570 0.626306 0.181 Uiso 0.256(5) 1 calc R . P H 2
H29S H 0.566549 0.145466 0.650274 0.181 Uiso 0.256(5) 1 calc R . P H 2
C29J C 0.71297(12) 0.7758(5) 0.4954(4) 0.196(4) Uani 0.370(4) 1 d D U P I 2
H29T H 0.708323 0.815756 0.502076 0.235 Uiso 0.370(4) 1 calc R . P I 2
H29U H 0.708899 0.786351 0.473163 0.235 Uiso 0.370(4) 1 calc R . P I 2
C29K C 0.75372(11) 0.5757(5) 0.51318(13) 0.202(3) Uani 0.625(7) 1 d D . P O 2
H29V H 0.768463 0.591910 0.530318 0.243 Uiso 0.625(7) 1 calc R . P O 2
H29W H 0.744452 0.618059 0.504013 0.243 Uiso 0.625(7) 1 calc R . P O 2
C29L C 0.51000(19) 0.7076(5) 0.46988(14) 0.0983(17) Uani 0.338(2) 1 d D . P C 1
H29X H 0.496132 0.685779 0.460585 0.118 Uiso 0.338(2) 1 calc R . P C 1
H29Y H 0.518243 0.673669 0.467152 0.118 Uiso 0.338(2) 1 calc R . P C 1
C30A C 0.70004(12) 0.6917(5) 0.3848(2) 0.214(3) Uani 0.474(5) 1 d D . P D 2
H30A H 0.697006 0.707954 0.363808 0.256 Uiso 0.474(5) 1 calc R . P D 2
H30B H 0.688794 0.658001 0.379164 0.256 Uiso 0.474(5) 1 calc R . P D 2
C30B C 0.52117(15) 0.9447(5) 0.5627(3) 0.228(6) Uani 0.785(9) 1 d D . P P 2
H30C H 0.520944 0.953578 0.543585 0.342 Uiso 0.785(9) 1 calc GR . P P 2
H30D H 0.527793 0.985035 0.578043 0.342 Uiso 0.785(9) 1 calc GR . P P 2
H30E H 0.506626 0.938788 0.554981 0.342 Uiso 0.785(9) 1 calc GR . P P 2
C30C C 0.5590(2) 0.4440(4) 0.2514(3) 0.203(3) Uani 0.288(4) 1 d D . P E 2
H30F H 0.560712 0.424356 0.270899 0.244 Uiso 0.288(4) 1 calc R . P E 2
H30G H 0.573197 0.454045 0.257810 0.244 Uiso 0.288(4) 1 calc R . P E 2
C30D C 0.7171(3) 0.1759(6) 0.6295(3) 0.272(8) Uani 0.509(6) 1 d D . P B 2
H30H H 0.716928 0.131444 0.619352 0.408 Uiso 0.509(6) 1 calc GR . P B 2
H30I H 0.707418 0.172142 0.634986 0.408 Uiso 0.509(6) 1 calc GR . P B 2
H30J H 0.731505 0.185076 0.649756 0.408 Uiso 0.509(6) 1 calc GR . P B 2
C30F C 0.52033(12) 0.1932(5) 0.49086(17) 0.174(3) Uani 0.339(8) 1 d D U P F 2
H30K H 0.505342 0.181890 0.472453 0.209 Uiso 0.339(8) 1 calc R . P F 2
H30L H 0.520625 0.234254 0.503232 0.209 Uiso 0.339(8) 1 calc R . P F 2
C30G C 0.58932(14) 0.8371(4) 0.73097(18) 0.237(3) Uani 0.415(6) 1 d D . P G 2
H30M H 0.604171 0.854016 0.745703 0.285 Uiso 0.415(6) 1 calc R . P G 2
H30N H 0.587013 0.806882 0.744326 0.285 Uiso 0.415(6) 1 calc R . P G 2
C30H C 0.63120(11) 1.0613(4) 0.5047(2) 0.176(3) Uani 0.499(5) 1 d D . P L 2
H30O H 0.638370 1.069929 0.528563 0.211 Uiso 0.499(5) 1 calc R . P L 2
H30P H 0.639490 1.025481 0.502938 0.211 Uiso 0.499(5) 1 calc R . P L 2
C30I C 0.58641(10) 0.0975(5) 0.6421(2) 0.135(3) Uani 0.256(5) 1 d D U P H 2
H30Q H 0.580322 0.083210 0.619146 0.163 Uiso 0.256(5) 1 calc R . P H 2
H30R H 0.597841 0.063718 0.657745 0.163 Uiso 0.256(5) 1 calc R . P H 2
C30J C 0.70236(15) 0.7070(5) 0.4941(2) 0.186(3) Uani 0.370(4) 1 d D U P I 2
H30S H 0.697892 0.712134 0.508284 0.223 Uiso 0.370(4) 1 calc R . P I 2
H30T H 0.712752 0.667745 0.503268 0.223 Uiso 0.370(4) 1 calc R . P I 2
C30K C 0.75227(14) 0.5378(4) 0.48499(16) 0.217(4) Uani 0.625(7) 1 d D . P O 2
H30U H 0.737185 0.533381 0.465326 0.261 Uiso 0.625(7) 1 calc R . P O 2
H30V H 0.759448 0.567137 0.478549 0.261 Uiso 0.625(7) 1 calc R . P O 2
C30L C 0.52188(17) 0.7239(5) 0.50654(14) 0.1031(18) Uani 0.338(2) 1 d D . P C 1
H30W H 0.536476 0.738753 0.516148 0.124 Uiso 0.338(2) 1 calc R . P C 1
H30X H 0.514894 0.764571 0.508505 0.124 Uiso 0.338(2) 1 calc R . P C 1
C31A C 0.70024(13) 0.7551(4) 0.4035(2) 0.190(3) Uani 0.474(5) 1 d D . P D 2
H31A H 0.712997 0.784284 0.412580 0.228 Uiso 0.474(5) 1 calc R . P D 2
H31B H 0.700841 0.738081 0.422443 0.228 Uiso 0.474(5) 1 calc R . P D 2
C31C C 0.54541(17) 0.5121(4) 0.2389(5) 0.177(3) Uani 0.288(4) 1 d D . P E 2
H31C H 0.536115 0.512792 0.214287 0.212 Uiso 0.288(4) 1 calc R . P E 2
H31D H 0.536193 0.510778 0.245635 0.212 Uiso 0.288(4) 1 calc R . P E 2
C31F C 0.54144(9) 0.4069(5) 0.36618(16) 0.187(2) Uani 0.351(7) 1 d D U P M 2
H31E H 0.555549 0.398508 0.387729 0.225 Uiso 0.351(7) 1 calc R . P M 2
H31F H 0.537689 0.364561 0.352058 0.225 Uiso 0.351(7) 1 calc R . P M 2
C31G C 0.58561(12) 0.7932(5) 0.70254(19) 0.196(3) Uani 0.415(6) 1 d D . P G 2
H31G H 0.583083 0.825432 0.685124 0.236 Uiso 0.415(6) 1 calc R . P G 2
H31H H 0.572841 0.763303 0.692470 0.236 Uiso 0.415(6) 1 calc R . P G 2
C31H C 0.63030(10) 1.1300(4) 0.4882(2) 0.208(3) Uani 0.499(5) 1 d D . P L 2
H31I H 0.623005 1.166262 0.491882 0.250 Uiso 0.499(5) 1 calc R . P L 2
H31J H 0.621538 1.121770 0.463953 0.250 Uiso 0.499(5) 1 calc R . P L 2
C31I C 0.59540(13) 0.1738(4) 0.6491(4) 0.113(2) Uani 0.256(5) 1 d D U P H 2
H31K H 0.583925 0.199920 0.646999 0.136 Uiso 0.256(5) 1 calc R . P H 2
H31L H 0.592861 0.183451 0.627826 0.136 Uiso 0.256(5) 1 calc R . P H 2
C31J C 0.6830(2) 0.6884(4) 0.4585(3) 0.179(3) Uani 0.370(4) 1 d D U P I 2
H31M H 0.683495 0.715231 0.442396 0.215 Uiso 0.370(4) 1 calc R . P I 2
H31N H 0.669833 0.701929 0.455159 0.215 Uiso 0.370(4) 1 calc R . P I 2
C31K C 0.76219(19) 0.4652(4) 0.4950(3) 0.227(6) Uani 0.625(7) 1 d D . P O 2
H31O H 0.753086 0.431839 0.476637 0.341 Uiso 0.625(7) 1 calc GR . P O 2
H31P H 0.763790 0.449227 0.514654 0.341 Uiso 0.625(7) 1 calc GR . P O 2
H31Q H 0.776133 0.467139 0.500065 0.341 Uiso 0.625(7) 1 calc GR . P O 2
C31L C 0.52311(18) 0.6632(5) 0.52690(14) 0.117(2) Uani 0.338(2) 1 d D . P C 1
H31R H 0.531778 0.624348 0.527808 0.141 Uiso 0.338(2) 1 calc R . P C 1
H31S H 0.508722 0.644480 0.516430 0.141 Uiso 0.338(2) 1 calc R . P C 1
C32A C 0.67994(13) 0.8012(4) 0.3799(2) 0.158(2) Uani 0.474(5) 1 d D . P D 2
H32A H 0.677472 0.810218 0.358683 0.190 Uiso 0.474(5) 1 calc R . P D 2
H32B H 0.667358 0.776960 0.375058 0.190 Uiso 0.474(5) 1 calc R . P D 2
C32C C 0.55850(15) 0.5803(4) 0.2521(5) 0.157(2) Uani 0.288(4) 1 d D . P E 2
H32C H 0.566098 0.585750 0.242646 0.189 Uiso 0.288(4) 1 calc R . P E 2
H32D H 0.569196 0.577257 0.276605 0.189 Uiso 0.288(4) 1 calc R . P E 2
C32F C 0.54262(11) 0.4713(5) 0.34938(14) 0.192(3) Uani 0.351(7) 1 d D U P M 2
H32E H 0.552669 0.506856 0.366156 0.230 Uiso 0.351(7) 1 calc R . P M 2
H32F H 0.528510 0.493730 0.333917 0.230 Uiso 0.351(7) 1 calc R . P M 2
C32G C 0.60486(11) 0.7456(4) 0.7153(2) 0.178(3) Uani 0.415(6) 1 d D . P G 2
H32G H 0.605603 0.736462 0.696966 0.214 Uiso 0.415(6) 1 calc R . P G 2
H32H H 0.617997 0.770584 0.733244 0.214 Uiso 0.415(6) 1 calc R . P G 2
C32H C 0.65169(12) 1.1599(4) 0.5003(4) 0.228(4) Uani 0.499(5) 1 d D . P L 2
H32I H 0.656260 1.136279 0.488374 0.273 Uiso 0.499(5) 1 calc R . P L 2
H32J H 0.662457 1.150277 0.524348 0.273 Uiso 0.499(5) 1 calc R . P L 2
C32I C 0.61418(9) 0.2257(6) 0.6723(3) 0.0978(18) Uani 0.256(5) 1 d D U P H 2
H32K H 0.609996 0.273450 0.662011 0.117 Uiso 0.256(5) 1 calc R . P H 2
H32L H 0.616529 0.228967 0.693657 0.117 Uiso 0.256(5) 1 calc R . P H 2
C32J C 0.68264(12) 0.6076(4) 0.4523(3) 0.166(3) Uani 0.370(4) 1 d D U P I 2
H32M H 0.684603 0.600019 0.435216 0.200 Uiso 0.370(4) 1 calc R . P I 2
H32N H 0.694582 0.584490 0.473112 0.200 Uiso 0.370(4) 1 calc R . P I 2
C32L C 0.53319(14) 0.6894(8) 0.56244(17) 0.129(2) Uani 0.338(2) 1 d D . P C 1
H32O H 0.533765 0.741895 0.563241 0.155 Uiso 0.338(2) 1 calc R . P C 1
H32P H 0.524707 0.673229 0.569379 0.155 Uiso 0.338(2) 1 calc R . P C 1
C33A C 0.68410(16) 0.8701(4) 0.3983(2) 0.139(2) Uani 0.474(5) 1 d D . P D 2
H33A H 0.687540 0.858518 0.420034 0.167 Uiso 0.474(5) 1 calc R . P D 2
H33B H 0.696847 0.892330 0.402872 0.167 Uiso 0.474(5) 1 calc R . P D 2
C33C C 0.54428(16) 0.6450(4) 0.2429(3) 0.142(2) Uani 0.288(4) 1 d D . P E 2
H33C H 0.533894 0.633383 0.246734 0.170 Uiso 0.288(4) 1 calc R . P E 2
H33D H 0.536259 0.654884 0.218922 0.170 Uiso 0.288(4) 1 calc R . P E 2
C33F C 0.55043(11) 0.4429(6) 0.33017(15) 0.208(3) Uani 0.351(7) 1 d D U P M 2
H33E H 0.563765 0.415939 0.345437 0.249 Uiso 0.351(7) 1 calc R . P M 2
H33F H 0.539691 0.410556 0.312200 0.249 Uiso 0.351(7) 1 calc R . P M 2
C33G C 0.64077(9) 0.6701(5) 0.7485(3) 0.128(2) Uani 0.373(4) 1 d D U P K 2
H33G H 0.636548 0.695043 0.728202 0.153 Uiso 0.373(4) 1 calc R . P K 2
H33H H 0.643920 0.706431 0.765015 0.153 Uiso 0.373(4) 1 calc R . P K 2
C33H C 0.6500(3) 1.2402(4) 0.4941(5) 0.245(7) Uani 0.499(5) 1 d D . P L 2
H33I H 0.649508 1.264736 0.510489 0.368 Uiso 0.499(5) 1 calc GR . P L 2
H33J H 0.637144 1.250641 0.471676 0.368 Uiso 0.499(5) 1 calc GR . P L 2
H33K H 0.662445 1.256467 0.496262 0.368 Uiso 0.499(5) 1 calc GR . P L 2
C33I C 0.70067(8) 0.1437(5) 0.71697(15) 0.165(2) Uani 0.561(7) 1 d D . P N 2
H33L H 0.696450 0.093899 0.716245 0.198 Uiso 0.561(7) 1 calc R . P N 2
H33M H 0.712065 0.156385 0.740463 0.198 Uiso 0.561(7) 1 calc R . P N 2
C33J C 0.66189(12) 0.5735(4) 0.4409(3) 0.150(3) Uani 0.370(4) 1 d D U P I 2
H33N H 0.649860 0.600261 0.421638 0.180 Uiso 0.370(4) 1 calc R . P I 2
H33O H 0.660739 0.576063 0.459038 0.180 Uiso 0.370(4) 1 calc R . P I 2
C33L C 0.55545(14) 0.6587(9) 0.5854(3) 0.130(3) Uani 0.338(2) 1 d D . P C 1
H33P H 0.556684 0.619157 0.574214 0.195 Uiso 0.338(2) 1 calc GR . P C 1
H33Q H 0.558231 0.641637 0.605843 0.195 Uiso 0.338(2) 1 calc GR . P C 1
H33R H 0.565772 0.695541 0.590821 0.195 Uiso 0.338(2) 1 calc GR . P C 1
C34A C 0.66690(15) 0.9237(4) 0.3817(2) 0.1363(17) Uani 0.474(5) 1 d D . P D 2
C34C C 0.55634(13) 0.7123(4) 0.2626(3) 0.1268(17) Uani 0.288(4) 1 d D . P E 2
C34F C 0.55420(17) 0.5058(6) 0.3153(2) 0.233(6) Uani 0.351(7) 1 d D U P M 2
H34A H 0.542588 0.508551 0.291312 0.349 Uiso 0.351(7) 1 calc GR . P M 2
H34B H 0.567641 0.499182 0.318994 0.349 Uiso 0.351(7) 1 calc GR . P M 2
H34C H 0.554758 0.549909 0.325944 0.349 Uiso 0.351(7) 1 calc GR . P M 2
C34G C 0.66071(9) 0.6265(6) 0.7626(3) 0.133(2) Uani 0.373(4) 1 d D U P K 2
H34D H 0.658273 0.596373 0.744634 0.160 Uiso 0.373(4) 1 calc R . P K 2
H34E H 0.663285 0.594781 0.780145 0.160 Uiso 0.373(4) 1 calc R . P K 2
C34I C 0.70886(8) 0.1511(8) 0.69650(17) 0.192(3) Uani 0.561(7) 1 d D . P N 2
H34F H 0.706355 0.199875 0.687562 0.231 Uiso 0.561(7) 1 calc R . P N 2
H34G H 0.701389 0.117411 0.677621 0.231 Uiso 0.561(7) 1 calc R . P N 2
C34J C 0.66052(15) 0.4951(4) 0.4308(3) 0.152(2) Uani 0.370(4) 1 d D U P I 2
C34L C 0.47433(18) 0.9940(9) 0.29965(16) 0.229(5) Uani 0.662(2) 1 d D U P C 2
H34H H 0.475391 1.041393 0.292890 0.343 Uiso 0.662(2) 1 calc GR . P C 2
H34I H 0.459834 0.976182 0.283572 0.343 Uiso 0.662(2) 1 calc GR . P C 2
H34J H 0.484219 0.961853 0.300404 0.343 Uiso 0.662(2) 1 calc GR . P C 2
C35A C 0.67791(12) 0.9942(4) 0.3994(2) 0.150(2) Uani 0.474(5) 1 d D . P D 2
H35A H 0.691316 0.982694 0.421461 0.180 Uiso 0.474(5) 1 calc R . P D 2
H35B H 0.681754 1.018088 0.386484 0.180 Uiso 0.474(5) 1 calc R . P D 2
C35C C 0.54160(13) 0.7674(4) 0.2610(3) 0.1316(18) Uani 0.288(4) 1 d D . P E 2
H35C H 0.528539 0.771277 0.237755 0.158 Uiso 0.288(4) 1 calc R . P E 2
H35D H 0.537471 0.750157 0.274612 0.158 Uiso 0.288(4) 1 calc R . P E 2
C35G C 0.68045(9) 0.6718(6) 0.7771(4) 0.157(2) Uani 0.373(4) 1 d D U P K 2
H35E H 0.682991 0.702337 0.794972 0.188 Uiso 0.373(4) 1 calc R . P K 2
H35F H 0.678177 0.702869 0.759523 0.188 Uiso 0.373(4) 1 calc R . P K 2
C35I C 0.73300(9) 0.1346(5) 0.7203(2) 0.213(4) Uani 0.561(7) 1 d D . P N 2
H35G H 0.736633 0.105066 0.739177 0.255 Uiso 0.561(7) 1 calc DR . P N 2
H35H H 0.737224 0.108928 0.708318 0.255 Uiso 0.561(7) 1 calc DR . P N 2
C35J C 0.63767(14) 0.4833(5) 0.3990(3) 0.159(2) Uani 0.370(4) 1 d D U P I 2
H35I H 0.628223 0.517346 0.398889 0.190 Uiso 0.370(4) 1 calc R . P I 2
H35J H 0.637050 0.493790 0.379452 0.190 Uiso 0.370(4) 1 calc R . P I 2
C35L C 0.47990(16) 0.9981(5) 0.33437(15) 0.209(3) Uani 0.662(2) 1 d D U P C 2
H35K H 0.488926 1.040019 0.346622 0.250 Uiso 0.662(2) 1 calc R . P C 2
H35L H 0.466836 1.002154 0.332346 0.250 Uiso 0.662(2) 1 calc R . P C 2
C36A C 0.66611(13) 1.0465(4) 0.4044(2) 0.196(3) Uani 0.474(5) 1 d D . P D 2
H36A H 0.661005 1.023118 0.415611 0.235 Uiso 0.474(5) 1 calc R . P D 2
H36B H 0.653656 1.064499 0.382609 0.235 Uiso 0.474(5) 1 calc R . P D 2
C36C C 0.55147(13) 0.8412(4) 0.2733(2) 0.146(2) Uani 0.288(4) 1 d D . P E 2
H36C H 0.551179 0.864844 0.255779 0.175 Uiso 0.288(4) 1 calc R . P E 2
H36D H 0.566508 0.835710 0.293068 0.175 Uiso 0.288(4) 1 calc R . P E 2
C36G C 0.69998(9) 0.6244(6) 0.7912(3) 0.172(2) Uani 0.373(4) 1 d D U P K 2
H36E H 0.704457 0.602213 0.812229 0.207 Uiso 0.373(4) 1 calc R . P K 2
H36F H 0.696297 0.586052 0.775218 0.207 Uiso 0.373(4) 1 calc R . P K 2
C36I C 0.744469 0.207720 0.732949 0.281(8) Uani 0.561(7) 1 d D . P N 2
H36G H 0.759835 0.200246 0.748186 0.421 Uiso 0.561(7) 1 calc DGR . P N 2
H36H H 0.740073 0.232563 0.744637 0.421 Uiso 0.561(7) 1 calc GR . P N 2
H36I H 0.740710 0.236319 0.713985 0.421 Uiso 0.561(7) 1 calc GR . P N 2
C36J C 0.62930(13) 0.4085(5) 0.3954(4) 0.181(3) Uani 0.370(4) 1 d D U P I 2
H36J H 0.631715 0.395002 0.416261 0.217 Uiso 0.370(4) 1 calc R . P I 2
H36K H 0.637235 0.374849 0.391947 0.217 Uiso 0.370(4) 1 calc R . P I 2
C36L C 0.49161(12) 0.9309(4) 0.35242(14) 0.179(2) Uani 0.662(2) 1 d D U P C 2
H36L H 0.506768 0.935746 0.362457 0.215 Uiso 0.662(2) 1 calc R . P C 2
H36M H 0.485647 0.890599 0.336612 0.215 Uiso 0.662(2) 1 calc R . P C 2
C37A C 0.68109(17) 1.1094(5) 0.42610(16) 0.250(3) Uani 0.474(5) 1 d D . P D 2
H37A H 0.694869 1.102907 0.430505 0.300 Uiso 0.474(5) 1 calc R . P D 2
H37B H 0.674784 1.154311 0.413637 0.300 Uiso 0.474(5) 1 calc R . P D 2
C37C C 0.54034(13) 0.8893(4) 0.2827(2) 0.162(2) Uani 0.288(4) 1 d D . P E 2
H37C H 0.524836 0.882712 0.266039 0.195 Uiso 0.288(4) 1 calc R . P E 2
H37D H 0.544525 0.874162 0.304519 0.195 Uiso 0.288(4) 1 calc R . P E 2
C37G C 0.71822(10) 0.6689(6) 0.7977(3) 0.190(3) Uani 0.373(4) 1 d D U P K 2
H37E H 0.719485 0.714140 0.808669 0.227 Uiso 0.373(4) 1 calc R . P K 2
H37F H 0.715577 0.679819 0.776514 0.227 Uiso 0.373(4) 1 calc DR . P K 2
C37J C 0.60519(13) 0.4028(4) 0.3658(5) 0.213(3) Uani 0.370(4) 1 d D U P I 2
H37G H 0.596911 0.432828 0.369932 0.256 Uiso 0.370(4) 1 calc R . P I 2
H37H H 0.602401 0.418947 0.344982 0.256 Uiso 0.370(4) 1 calc R . P I 2
C37L C 0.48928(12) 0.9164(4) 0.38051(14) 0.151(2) Uani 0.662(2) 1 d D U P C 2
H37I H 0.499974 0.943357 0.400975 0.182 Uiso 0.662(2) 1 calc R . P C 2
H37J H 0.474953 0.929385 0.372916 0.182 Uiso 0.662(2) 1 calc R . P C 2
C38A C 0.68481(19) 1.1148(5) 0.45931(16) 0.276(3) Uani 0.474(5) 1 d D . P D 2
H38A H 0.692258 1.071698 0.472707 0.332 Uiso 0.474(5) 1 calc R . P D 2
H38B H 0.671001 1.117529 0.455067 0.332 Uiso 0.474(5) 1 calc R . P D 2
C38C C 0.5454(2) 0.9682(4) 0.2845(3) 0.180(3) Uani 0.288(4) 1 d D . P E 2
H38C H 0.548108 0.977253 0.268279 0.216 Uiso 0.288(4) 1 calc R . P E 2
H38D H 0.532581 0.995325 0.276895 0.216 Uiso 0.288(4) 1 calc R . P E 2
C38G C 0.73864(15) 0.6252(8) 0.8204(6) 0.227(5) Uani 0.373(4) 1 d D U P K 2
H38E H 0.739510 0.590515 0.807017 0.341 Uiso 0.373(4) 1 calc GR . P K 2
H38F H 0.738499 0.600375 0.837112 0.341 Uiso 0.373(4) 1 calc GR . P K 2
H38G H 0.750930 0.656935 0.831551 0.341 Uiso 0.373(4) 1 calc GR . P K 2
C38J C 0.59871(12) 0.3237(5) 0.3627(6) 0.249(3) Uani 0.370(4) 1 d D U P I 2
H38H H 0.604302 0.295718 0.353203 0.299 Uiso 0.370(4) 1 calc R . P I 2
H38I H 0.604823 0.304360 0.384923 0.299 Uiso 0.370(4) 1 calc R . P I 2
C38L C 0.49306(11) 0.8359(3) 0.38647(13) 0.122(2) Uani 0.662(2) 1 d D U P C 2
H38J H 0.480822 0.810713 0.366818 0.147 Uiso 0.662(2) 1 calc R . P C 2
H38K H 0.505775 0.823310 0.388412 0.147 Uiso 0.662(2) 1 calc R . P C 2
C39A C 0.6982(3) 1.1811(5) 0.47893(18) 0.289(4) Uani 0.474(5) 1 d D . P D 2
H39A H 0.708464 1.189632 0.474587 0.347 Uiso 0.474(5) 1 calc R . P D 2
H39B H 0.688716 1.222924 0.470768 0.347 Uiso 0.474(5) 1 calc R . P D 2
C39C C 0.56391(13) 0.9983(6) 0.3177(2) 0.217(4) Uani 0.288(4) 1 d D . P E 2
H39C H 0.572610 0.958219 0.332609 0.260 Uiso 0.288(4) 1 calc R . P E 2
H39D H 0.558210 1.023337 0.327716 0.260 Uiso 0.288(4) 1 calc R . P E 2
C39J C 0.57451(11) 0.3179(5) 0.3400(4) 0.271(4) Uani 0.370(4) 1 d D U P I 2
H39E H 0.568763 0.323692 0.316591 0.325 Uiso 0.370(4) 1 calc R . P I 2
H39F H 0.568711 0.356436 0.345457 0.325 Uiso 0.370(4) 1 calc R . P I 2
C39L C 0.49613(10) 0.8095(3) 0.41730(13) 0.1029(19) Uani 0.662(2) 1 d D U P C 2
H39G H 0.484871 0.829827 0.417602 0.123 Uiso 0.662(2) 1 calc R . P C 2
H39H H 0.509924 0.826946 0.437285 0.123 Uiso 0.662(2) 1 calc R . P C 2
C40A C 0.7104(4) 1.1739(13) 0.51678(19) 0.327(8) Uani 0.474(5) 1 d D . P D 2
H40A H 0.702829 1.199967 0.523234 0.491 Uiso 0.474(5) 1 calc GR . P D 2
H40B H 0.724651 1.193407 0.528598 0.491 Uiso 0.474(5) 1 calc GR . P D 2
H40C H 0.711295 1.123672 0.522523 0.491 Uiso 0.474(5) 1 calc GR . P D 2
C40C C 0.578750 1.050629 0.316870 0.261(7) Uani 0.288(4) 1 d D . P E 2
H40D H 0.592563 1.052935 0.338969 0.391 Uiso 0.288(4) 1 calc GR . P E 2
H40E H 0.572334 1.097970 0.310391 0.391 Uiso 0.288(4) 1 calc GR . P E 2
H40F H 0.580630 1.033710 0.300710 0.391 Uiso 0.288(4) 1 calc GR . P E 2
C40J C 0.56739(19) 0.2458(5) 0.3442(4) 0.309(8) Uani 0.370(4) 1 d D U P I 2
H40G H 0.567863 0.247330 0.363844 0.463 Uiso 0.370(4) 1 calc GR . P I 2
H40H H 0.576893 0.208492 0.347076 0.463 Uiso 0.370(4) 1 calc GR . P I 2
H40I H 0.552882 0.235772 0.324434 0.463 Uiso 0.370(4) 1 calc GR . P I 2
C40L C 0.49559(7) 0.7288(3) 0.41915(10) 0.0907(17) Uani 0.662(2) 1 d D U P C 2
C41L C 0.49869(9) 0.7016(4) 0.44994(11) 0.0924(17) Uani 0.662(2) 1 d D U P C 2
H41A H 0.497704 0.649153 0.448574 0.111 Uiso 0.662(2) 1 calc R . P C 2
H41B H 0.486737 0.719041 0.449131 0.111 Uiso 0.662(2) 1 calc R . P C 2
C42L C 0.51923(9) 0.7214(4) 0.48366(11) 0.0983(17) Uani 0.662(2) 1 d D U P C 2
H42A H 0.531356 0.708797 0.484020 0.118 Uiso 0.662(2) 1 calc R . P C 2
H42B H 0.519549 0.773422 0.486697 0.118 Uiso 0.662(2) 1 calc R . P C 2
C43L C 0.52178(10) 0.6848(4) 0.51217(11) 0.1031(18) Uani 0.662(2) 1 d D U P C 2
H43A H 0.509255 0.696271 0.510905 0.124 Uiso 0.662(2) 1 calc R . P C 2
H43B H 0.521658 0.632993 0.508972 0.124 Uiso 0.662(2) 1 calc R . P C 2
C44L C 0.54130(11) 0.7026(5) 0.54654(12) 0.117(2) Uani 0.662(2) 1 d D U P C 2
H44A H 0.553791 0.691696 0.547636 0.141 Uiso 0.662(2) 1 calc R . P C 2
H44B H 0.541335 0.754475 0.549699 0.141 Uiso 0.662(2) 1 calc R . P C 2
C45L C 0.54423(12) 0.6664(5) 0.57520(13) 0.129(2) Uani 0.662(2) 1 d D U P C 2
H45A H 0.544710 0.614601 0.572592 0.155 Uiso 0.662(2) 1 calc R . P C 2
H45B H 0.531625 0.676263 0.573943 0.155 Uiso 0.662(2) 1 calc R . P C 2
C46L C 0.56371(13) 0.6873(6) 0.60930(16) 0.130(3) Uani 0.662(2) 1 d D U P C 2
H46C H 0.570623 0.727559 0.607408 0.195 Uiso 0.662(2) 1 calc GR . P C 2
H46D H 0.573539 0.647064 0.619512 0.195 Uiso 0.662(2) 1 calc GR . P C 2
H46E H 0.559620 0.700710 0.623168 0.195 Uiso 0.662(2) 1 calc GR . P C 2
Cu1A Cu 0.61791(2) 0.71402(3) 0.43170(2) 0.11543(18) Uani 0.235(2) 1 d . . P A
3
Cu2A Cu 0.64108(2) 0.73597(3) 0.54742(2) 0.08398(15) Uani 0.4013(19) 1 d . . P
A 5
Cu3A Cu 0.60259(2) 0.51381(4) 0.48925(2) 0.1064(3) Uani 0.792(2) 1 d . . P A 8
Cu6A Cu 0.65008(2) 0.55559(4) 0.53301(2) 0.1161(2) Uani 0.515(2) 1 d . . P A 10
Cu4A Cu 0.62959(2) 0.53664(3) 0.61121(2) 0.09520(18) Uani 0.381(2) 1 d . . P A
11
Cu5A Cu 0.58938(2) 0.68591(4) 0.50306(2) 0.0937(2) Uani 0.800(2) 1 d . . P A 13


_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 Au2 3.2973(4) . ?
Au1 Ag1 3.2001(6) . ?
Au1 Ag2 3.0926(6) . ?
Au1 C1B 2.018(6) . ?
Au1 C27A 2.006(6) . ?
Au1 Cu1A 3.2001(6) . ?
Au1 Cu2A 3.0926(6) . ?
Au2 Ag1 2.8833(6) . ?
Au2 Ag2 2.9261(5) . ?
Au2 Ag3 3.0835(9) . ?
Au2 Ag5 2.9735(8) . ?
Au2 Ag6 3.0060(6) . ?
Au2 C1K 2.013(4) . ?
Au2 C1L 1.982(5) . ?
Au2 Cu1A 2.8833(6) . ?
Au2 Cu2A 2.9261(5) . ?
Au2 Cu3A 3.0835(9) . ?
Au2 Cu6A 3.0060(6) . ?
Au2 Cu5A 2.9735(8) . ?
Au3 Ag3 3.0098(9) . ?
Au3 C1C 1.976(6) . ?
Au3 C1D 1.982(6) . ?
Au3 Cu3A 3.0098(9) . ?
Au4 Au5 3.1013(4) . ?
Au4 Ag4 3.1370(5) . ?
Au4 Ag5 3.1667(7) . ?
Au4 C1G 1.991(6) . ?
Au4 C1H 2.010(6) . ?
Au4 Cu4A 3.1370(5) . ?
Au4 Cu5A 3.1667(7) . ?
Au5 Ag2 3.0323(6) . ?
Au5 Ag3 3.0658(7) . ?
Au5 Ag4 2.9248(7) . ?
Au5 Ag5 2.9478(6) . ?
Au5 Ag6 2.9103(8) . ?
Au5 C1E 2.006(4) . ?
Au5 C1F 2.016(4) . ?
Au5 Cu2A 3.0323(6) . ?
Au5 Cu3A 3.0658(7) . ?
Au5 Cu6A 2.9103(8) . ?
Au5 Cu4A 2.9248(7) . ?
Au5 Cu5A 2.9478(6) . ?
Au6 Ag6 3.0187(8) . ?
Au6 C1I 1.923(6) . ?
Au6 C1J 2.039(8) . ?
Au6 Cu6A 3.0187(8) . ?
Ag1 C1C 2.216(5) . ?
Ag1 C2C 2.381(6) . ?
Ag1 C26A 2.511(7) . ?
Ag1 C27A 2.159(7) . ?
Ag2 C1B 2.168(6) . ?
Ag2 C1E 2.203(5) . ?
Ag2 C2B 2.450(6) . ?
Ag2 C2E 2.505(4) . ?
Ag3 C1D 2.032(6) . ?
Ag3 C1F 2.073(6) . ?
Ag3 C2D 2.249(6) . ?
Ag3 C2F 2.288(7) . ?
Ag4 C1G 2.142(6) . ?
Ag4 C1I 2.203(5) . ?
Ag4 C2G 2.567(7) . ?
Ag4 C2I 2.322(5) . ?
Ag5 C1H 2.098(6) . ?
Ag5 C1L 2.107(5) . ?
Ag5 C2H 2.235(6) . ?
Ag5 C2L 2.338(4) . ?
Ag6 C1J 2.093(5) . ?
Ag6 C1K 2.158(5) . ?
Ag6 C2J 2.381(6) . ?
Ag6 C2K 2.488(6) . ?
C1A C2A 1.366(9) . ?
C1A C6A 1.382(6) . ?
C1A C19A 1.516(10) . ?
C1A C34A 1.572(11) . ?
C1B C2B 1.195(7) . ?
C1B Cu2A 2.168(5) . ?
C1C C2C 1.201(8) . ?
C1C Cu1A 2.216(5) . ?
C1D C2D 1.221(9) . ?
C1D Cu3A 2.032(6) . ?
C1E C2E 1.216(6) . ?
C1E Cu2A 2.203(5) . ?
C1F C2F 1.222(5) . ?
C1F Cu3A 2.073(6) . ?
C1G C2G 1.207(8) . ?
C1G Cu4A 2.142(6) . ?
C1H C2H 1.207(8) . ?
C1H Cu5A 2.098(6) . ?
C1I C2I 1.231(7) . ?
C1I Cu4A 2.203(5) . ?
C1J C2J 1.196(11) . ?
C1J Cu6A 2.093(5) . ?
C1K C2K 1.206(5) . ?
C1K Cu6A 2.158(5) . ?
C1L C2L 1.242(6) . ?
C1L Cu5A 2.107(5) . ?
C2A C3A 1.372(7) . ?
C2B C5B 1.439(7) . ?
C2B Cu2A 2.450(6) . ?
C2C C5C 1.465(8) . ?
C2C Cu1A 2.381(6) . ?
C2D C5D 1.446(9) . ?
C2D Cu3A 2.249(6) . ?
C2E C5E 1.432(5) . ?
C2E Cu2A 2.505(4) . ?
C2F C5F 1.402(6) . ?
C2F Cu3A 2.288(7) . ?
C2G C5G 1.453(9) . ?
C2H C3H 1.432(7) . ?
C2H Cu5A 2.235(6) . ?
C2I C5I 1.473(7) . ?
C2I Cu4A 2.322(5) . ?
C2J C5J 1.444(11) . ?
C2J Cu6A 2.381(6) . ?
C2K C5K 1.437(5) . ?
C2K Cu6A 2.488(6) . ?
C2L C5L 1.423(5) . ?
C2L Cu5A 2.338(4) . ?
C3A C4A 1.339(8) . ?
C3B C4B 1.368(7) . ?
C3B C8B 1.410(6) . ?
C3B C15B 1.521(7) . ?
C3C C4C 1.396(8) . ?
C3C C8C 1.377(8) . ?
C3C C21C 1.554(6) . ?
C3C C34C 1.529(9) . ?
C3D C4D 1.373(8) . ?
C3D C8D 1.394(6) . ?
C3D C27D 1.501(8) . ?
C3E C4E 1.365(5) . ?
C3E C8E 1.395(6) . ?
C3E C21E 1.532(7) . ?
C3F C4F 1.397(6) . ?
C3F C8F 1.391(8) . ?
C3F C21F 1.532(8) . ?
C3G C4G 1.356(9) . ?
C3G C8G 1.387(8) . ?
C3G C21G 1.533(9) . ?
C3H C4H 1.403(9) . ?
C3H C8H 1.394(9) . ?
C3I C4I 1.348(8) . ?
C3I C8I 1.381(8) . ?
C3I C21I 1.556(7) . ?
C3J C4J 1.348(11) . ?
C3J C8J 1.375(9) . ?
C3J C21J 1.510(12) . ?
C3J C34J 1.589(15) . ?
C3K C4K 1.367(5) . ?
C3K C8K 1.410(7) . ?
C3K C21K 1.535(8) . ?
C3L C4L 1.376(6) . ?
C3L C8L 1.403(7) . ?
C3L C27L 1.665(11) . ?
C3L C40L 1.542(8) . ?
C4A C5A 1.409(10) . ?
C4B C5B 1.401(7) . ?
C4C C5C 1.398(5) . ?
C4D C5D 1.394(7) . ?
C4E C5E 1.434(7) . ?
C4F C5F 1.391(7) . ?
C4G C5G 1.410(8) . ?
C4H C5H 1.379(9) . ?
C4I C5I 1.421(7) . ?
C4J C5J 1.439(9) . ?
C4K C5K 1.392(7) . ?
C4L C5L 1.401(8) . ?
C5A C6A 1.385(6) . ?
C5B C6B 1.411(7) . ?
C5C C6C 1.368(9) . ?
C5D C6D 1.397(7) . ?
C5E C6E 1.368(6) . ?
C5F C6F 1.383(7) . ?
C5FB C28D 1.515(13) . ?
C5FB C29D 1.554(10) . ?
C5G C6G 1.404(8) . ?
C5H C6H 1.389(11) . ?
C5I C6I 1.396(8) . ?
C5J C6J 1.408(9) . ?
C5K C6K 1.399(7) . ?
C5L C6L 1.393(7) . ?
C6A C7A 1.475(8) . ?
C6B C7B 1.351(7) . ?
C6C C7C 1.368(9) . ?
C6D C7D 1.363(9) . ?
C6E C7E 1.365(6) . ?
C6F C7F 1.384(5) . ?
C6G C7G 1.367(9) . ?
C6H C7H 1.400(10) . ?
C6H C9H 1.441(9) . ?
C6I C7I 1.350(9) . ?
C6J C7J 1.425(13) . ?
C6K C7K 1.357(5) . ?
C6L C7L 1.375(6) . ?
C7A C8A 1.402(8) . ?
C7A C12A 1.398(5) . ?
C7B C8B 1.390(7) . ?
C7C C8C 1.396(5) . ?
C7D C8D 1.363(8) . ?
C7E C8E 1.389(7) . ?
C7F C8F 1.382(8) . ?
C7G C8G 1.385(8) . ?
C7H C8H 1.376(8) . ?
C7H C21H 1.524(10) . ?
C7I C8I 1.410(7) . ?
C7J C8J 1.362(10) . ?
C7K C8K 1.381(7) . ?
C7L C8L 1.374(9) . ?
C8A C9A 1.385(9) . ?
C8B C9B 1.459(7) . ?
C8C C9C 1.470(8) . ?
C8D C9D 1.471(8) . ?
C8E C9E 1.461(6) . ?
C8F C9F 1.449(6) . ?
C8G C9G 1.470(9) . ?
C8I C9I 1.453(8) . ?
C8J C9J 1.485(12) . ?
C8K C9K 1.459(5) . ?
C8L C9L 1.539(8) . ?
C8L C15L 1.431(6) . ?
C9A C10A 1.382(5) . ?
C9B C10B 1.399(7) . ?
C9B C14B 1.410(7) . ?
C9C C10C 1.356(10) . ?
C9C C14C 1.408(6) . ?
C9D C10D 1.392(7) . ?
C9D C14D 1.392(7) . ?
C9E C10E 1.392(7) . ?
C9E C14E 1.404(7) . ?
C9F C10F 1.368(8) . ?
C9F C14F 1.414(10) . ?
C9G C10G 1.381(11) . ?
C9G C14G 1.413(10) . ?
C9H C10H 1.392(9) . ?
C9H C14H 1.375(12) . ?
C9I C10I 1.389(9) . ?
C9I C14I 1.421(7) . ?
C9J C10J 1.375(12) . ?
C9J C14J 1.387(9) . ?
C9K C10K 1.382(8) . ?
C9K C14K 1.386(9) . ?
C9L C14L 1.3900 . ?
C9L C10L 1.3900 . ?
C14L C13L 1.3900 . ?
C14L C27L 1.541(10) . ?
C13L C12L 1.3900 . ?
C12L C11L 1.3900 . ?
C11L C10L 1.3900 . ?
C10A C11A 1.361(7) . ?
C10A C26A 1.457(8) . ?
C10B C11B 1.358(9) . ?
C10C C11C 1.388(8) . ?
C10D C11D 1.366(9) . ?
C10E C11E 1.375(8) . ?
C10F C11F 1.396(9) . ?
C10G C11G 1.385(11) . ?
C10H C11H 1.362(13) . ?
C10I C11I 1.407(10) . ?
C10J C11J 1.350(14) . ?
C10K C11K 1.393(7) . ?
C11A C12A 1.375(8) . ?
C11B C12B 1.385(9) . ?
C11C C12C 1.400(8) . ?
C11D C12D 1.406(8) . ?
C11E C12E 1.388(9) . ?
C11F C12F 1.357(14) . ?
C11G C12G 1.368(15) . ?
C11H C12H 1.312(18) . ?
C11I C12I 1.372(10) . ?
C11J C12J 1.421(13) . ?
C11K C12K 1.349(11) . ?
C12A C19A 1.535(11) . ?
C12A C34A 1.498(14) . ?
C12B C13B 1.360(7) . ?
C12C C13C 1.337(12) . ?
C12D C13D 1.392(8) . ?
C12E C13E 1.385(8) . ?
C12F C13F 1.401(11) . ?
C12G C13G 1.370(15) . ?
C12H C13H 1.409(12) . ?
C12I C13I 1.371(9) . ?
C12J C13J 1.374(15) . ?
C12K C13K 1.377(9) . ?
C13A C14A 1.541(12) . ?
C13B C14B 1.357(8) . ?
C13C C14C 1.385(8) . ?
C13D C14D 1.349(9) . ?
C13E C14E 1.377(7) . ?
C13F C14F 1.406(8) . ?
C13G C14G 1.386(10) . ?
C13H C14H 1.379(11) . ?
C13I C14I 1.371(8) . ?
C13J C14J 1.412(13) . ?
C13K C14K 1.411(6) . ?
C14A C15A 1.543(12) . ?
C14B C15B 1.507(6) . ?
C14C C21C 1.503(11) . ?
C14C C34C 1.584(16) . ?
C14D C27D 1.544(7) . ?
C14E C21E 1.519(6) . ?
C14F C21F 1.488(8) . ?
C14G C21G 1.531(10) . ?
C14H C21H 1.553(9) . ?
C14I C21I 1.533(9) . ?
C14J C21J 1.524(14) . ?
C14J C34J 1.574(17) . ?
C14K C21K 1.537(7) . ?
C15A C16A 1.533(9) . ?
C15B C21B 1.544(6) . ?
C15B C22B 1.552(5) . ?
C15C C16C 1.520(11) . ?
C15D C16D 1.487(9) . ?
C15E C16E 1.512(9) . ?
C15F C16F 1.533(12) . ?
C15G C16G 1.531(11) . ?
C15H C16H 1.486(9) . ?
C15I C16I 1.496(10) . ?
C15J C16J 1.550(10) . ?
C15K C16K 1.457(15) . ?
C15L C20L 1.3900 . ?
C15L C16L 1.3900 . ?
C20L C19L 1.3900 . ?
C20L C40L 1.515(5) . ?
C19L C18L 1.3900 . ?
C18L C17L 1.3900 . ?
C17L C16L 1.3900 . ?
C16A C17A 1.553(11) . ?
C16B C17B 1.541(8) . ?
C16C C17C 1.543(12) . ?
C16D C17D 1.475(11) . ?
C16E C17E 1.520(8) . ?
C16F C17F 1.540(10) . ?
C16G C17G 1.554(12) . ?
C16H C17H 1.505(10) . ?
C16I C17I 1.513(10) . ?
C16J C17J 1.534(11) . ?
C16K C17K 1.542(13) . ?
C17A C18A 1.525(9) . ?
C17B C18B 1.520(8) . ?
C17C C18C 1.525(10) . ?
C17D C18D 1.525(8) . ?
C17E C18E 1.527(10) . ?
C17F C18F 1.509(10) . ?
C17G C18G 1.521(11) . ?
C17H C18H 1.487(7) . ?
C17I C18I 1.518(8) . ?
C17J C18J 1.550(10) . ?
C17K C18K 1.458(13) . ?
C18A C19A 1.540(9) . ?
C18B C19B 1.517(8) . ?
C18C C19C 1.535(8) . ?
C18D C19D 1.529(10) . ?
C18E C19E 1.533(8) . ?
C18F C19F 1.549(9) . ?
C18F C30F 1.535(11) . ?
C18G C19G 1.546(12) . ?
C18H C19H 1.522(9) . ?
C18I C19I 1.553(7) . ?
C18J C19J 1.542(9) . ?
C18K C19K 1.546(11) . ?
C19A C20A 1.550(10) . ?
C19B C20B 1.522(7) . ?
C19C C20C 1.514(10) . ?
C19D C20D 1.489(7) . ?
C19E C20E 1.507(11) . ?
C19F C20F 1.503(13) . ?
C19G C20G 1.505(9) . ?
C19H C20H 1.514(7) . ?
C19I C20I 1.486(7) . ?
C19J C20J 1.514(9) . ?
C19K C20K 1.481(12) . ?
C20A C21A 1.528(10) . ?
C20B C21B 1.521(6) . ?
C20C C21C 1.537(8) . ?
C20D C27D 1.566(9) . ?
C20E C21E 1.525(8) . ?
C20F C21F 1.518(10) . ?
C20G C21G 1.572(9) . ?
C20G C32G 1.515(10) . ?
C20H C21H 1.532(10) . ?
C20I C21I 1.519(6) . ?
C20I C32I 1.529(10) . ?
C20J C21J 1.542(9) . ?
C20K C21K 1.532(11) . ?
C21A C22A 1.565(10) . ?
C21C C22C 1.532(9) . ?
C21D C22D 1.517(11) . ?
C21D C27D 1.545(7) . ?
C21E C22E 1.537(10) . ?
C21F C22F 1.541(12) . ?
C21G C22G 1.528(7) . ?
C21G C33G 1.543(10) . ?
C21H C22H 1.541(7) . ?
C21H C28H 1.559(8) . ?
C21I C22I 1.590(7) . ?
C21J C22J 1.548(9) . ?
C21K C22K 1.535(10) . ?
C21L C22L 1.536(12) . ?
C22A C25A 1.527(13) . ?
C22B C23B 1.499(7) . ?
C22C C23C 1.523(8) . ?
C22D C23D 1.564(7) . ?
C22D C28D 1.533(8) . ?
C22E C23E 1.508(8) . ?
C22F C23F 1.482(10) . ?
C22G C23G 1.520(9) . ?
C22H C23H 1.524(12) . ?
C22I C23I 1.454(10) . ?
C22J C23J 1.542(10) . ?
C22K C23K 1.475(11) . ?
C22L C23L 1.522(11) . ?
C23A C24A 1.544(12) . ?
C23A C25A 1.553(11) . ?
C23B C24B 1.504(6) . ?
C23C C24C 1.549(10) . ?
C23D C24D 1.559(12) . ?
C23E C24E 1.530(11) . ?
C23F C24F 1.523(10) . ?
C23F C31F 1.543(10) . ?
C23G C24G 1.520(9) . ?
C23H C24H 1.529(8) . ?
C23I C24I 1.561(8) . ?
C23I C33I 1.536(8) . ?
C23J C24J 1.578(9) . ?
C23K C24K 1.547(11) . ?
C23K C28K 1.583(9) . ?
C23L C24L 1.534(9) . ?
C24B C25B 1.509(8) . ?
C24B C28B 1.504(10) . ?
C24C C25C 1.529(9) . ?
C24D C25D 1.545(11) . ?
C24E C25E 1.492(9) . ?
C24F C25F 1.525(10) . ?
C24G C25G 1.527(10) . ?
C24H C25H 1.548(12) . ?
C24I C25I 1.509(12) . ?
C24J C25J 1.536(11) . ?
C24K C25K 1.520(10) . ?
C24L C25L 1.549(8) . ?
C25B C26B 1.536(8) . ?
C25C C26C 1.524(11) . ?
C25D C26D 1.547(11) . ?
C25E C26E 1.564(10) . ?
C25E C28E 1.538(11) . ?
C25F C26F 1.548(11) . ?
C25G C26G 1.529(10) . ?
C25H C26H 1.537(11) . ?
C25I C26I 1.543(12) . ?
C25J C46J 1.519(10) . ?
C25K C26K 1.534(12) . ?
C25L C26L 1.525(9) . ?
C26A C27A 1.198(8) . ?
C26A Cu1A 2.511(7) . ?
C26B C27B 1.541(13) . ?
C26C C27C 1.525(11) . ?
C26E C27E 1.543(10) . ?
C26F C27F 1.557(9) . ?
C26G C27G 1.536(11) . ?
C26H C27H 1.523(14) . ?
C26I C27I 1.560(13) . ?
C46J C27J 1.532(11) . ?
C26K C27K 1.530(14) . ?
C26L C27L 1.536(10) . ?
C27A Cu1A 2.159(7) . ?
C27L C28L 1.538(9) . ?
C28A C29A 1.544(14) . ?
C28B C29B 1.533(9) . ?
C28C C29C 1.542(13) . ?
C28E C29E 1.524(11) . ?
C28F C29F 1.549(12) . ?
C28G C29G 1.543(12) . ?
C28H C29H 1.528(11) . ?
C28I C29I 1.530(13) . ?
C28J C29J 1.547(10) . ?
C28K C29K 1.515(12) . ?
C28L C29L 1.524(11) . ?
C29A C30A 1.552(10) . ?
C29B C30B 1.510(11) . ?
C29C C30C 1.560(12) . ?
C29D C30D 1.534(13) . ?
C29F C30F 1.547(11) . ?
C29G C30G 1.550(12) . ?
C29H C30H 1.543(10) . ?
C29I C30I 1.529(12) . ?
C29J C30J 1.530(13) . ?
C29K C30K 1.547(11) . ?
C29L C30L 1.520(9) . ?
C30A C31A 1.526(12) . ?
C30C C31C 1.543(12) . ?
C30G C31G 1.533(12) . ?
C30H C31H 1.521(11) . ?
C30I C31I 1.549(11) . ?
C30J C31J 1.538(11) . ?
C30K C31K 1.505(11) . ?
C30L C31L 1.509(12) . ?
C31A C32A 1.561(10) . ?
C31C C32C 1.529(10) . ?
C31F C32F 1.524(12) . ?
C31G C32G 1.540(11) . ?
C31H C32H 1.529(11) . ?
C31I C32I 1.558(11) . ?
C31J C32J 1.551(11) . ?
C31L C32L 1.545(11) . ?
C32A C33A 1.515(11) . ?
C32C C33C 1.532(11) . ?
C32F C33F 1.550(12) . ?
C32H C33H 1.534(11) . ?
C32J C33J 1.524(12) . ?
C32L C33L 1.521(12) . ?
C33A C34A 1.482(12) . ?
C33C C34C 1.534(10) . ?
C33F C34F 1.538(13) . ?
C33G C34G 1.526(11) . ?
C33I C34I 1.547(11) . ?
C33J C34J 1.546(11) . ?
C34A C35A 1.542(10) . ?
C34C C35C 1.538(12) . ?
C34G C35G 1.528(11) . ?
C34I C35I 1.555(8) . ?
C34J C35J 1.540(10) . ?
C34L C35L 1.542(12) . ?
C35A C36A 1.495(12) . ?
C35C C36C 1.530(10) . ?
C35G C36G 1.541(11) . ?
C35I C36I 1.558(8) . ?
C35J C36J 1.523(12) . ?
C35L C36L 1.507(10) . ?
C36A C37A 1.561(11) . ?
C36C C37C 1.540(13) . ?
C36G C37G 1.534(12) . ?
C36J C37J 1.559(10) . ?
C36L C37L 1.582(11) . ?
C37A C38A 1.534(13) . ?
C37C C38C 1.528(10) . ?
C37G C38G 1.536(12) . ?
C37J C38J 1.554(11) . ?
C37L C38L 1.542(9) . ?
C38A C39A 1.547(12) . ?
C38C C39C 1.517(11) . ?
C38J C39J 1.532(10) . ?
C38L C39L 1.521(9) . ?
C39A C40A 1.544(12) . ?
C39C C40C 1.568(11) . ?
C39J C40J 1.538(14) . ?
C39L C40L 1.526(8) . ?
C40L C41L 1.523(8) . ?
C41L C42L 1.523(6) . ?
C42L C43L 1.508(9) . ?
C43L C44L 1.501(7) . ?
C44L C45L 1.497(10) . ?
C45L C46L 1.507(8) . ?

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
Ag1 Au1 Au2 52.664(13) . . ?
Ag2 Au1 Au2 54.394(10) . . ?
C1B Au1 Au2 93.72(16) . . ?
C1B Au1 Ag1 146.12(16) . . ?
C1B Au1 Ag2 44.28(16) . . ?
C1B Au1 Cu1A 146.12(16) . . ?
C1B Au1 Cu2A 44.28(16) . . ?
C27A Au1 Au2 94.23(19) . . ?
C27A Au1 Ag1 41.60(19) . . ?
C27A Au1 Ag2 144.15(19) . . ?
C27A Au1 C1B 171.5(3) . . ?
C27A Au1 Cu1A 41.60(19) . . ?
C27A Au1 Cu2A 144.15(19) . . ?
Cu1A Au1 Au2 52.664(13) . . ?
Cu2A Au1 Au2 54.394(10) . . ?
C1K Au2 Ag1 83.67(16) . . ?
C1K Au2 Ag2 67.37(15) . . ?
C1K Au2 Ag3 105.53(15) . . ?
C1K Au2 Ag5 134.03(16) . . ?
C1K Au2 Ag6 45.85(15) . . ?
C1K Au2 Cu1A 83.67(16) . . ?
C1K Au2 Cu2A 67.37(15) . . ?
C1K Au2 Cu3A 105.53(15) . . ?
C1K Au2 Cu6A 45.85(15) . . ?
C1K Au2 Cu5A 134.03(16) . . ?
C1L Au2 Ag1 97.10(16) . . ?
C1L Au2 Ag2 111.75(15) . . ?
C1L Au2 Ag3 74.43(15) . . ?
C1L Au2 Ag5 45.04(15) . . ?
C1L Au2 Ag6 133.86(15) . . ?
C1L Au2 C1K 179.1(2) . . ?
C1L Au2 Cu1A 97.10(16) . . ?
C1L Au2 Cu2A 111.75(15) . . ?
C1L Au2 Cu3A 74.43(15) . . ?
C1L Au2 Cu6A 133.86(15) . . ?
C1L Au2 Cu5A 45.04(15) . . ?
Ag3 Au3 Au2 60.548(17) . . ?
C1C Au3 Au2 87.66(15) . . ?
C1C Au3 Ag3 145.51(17) . . ?
C1C Au3 C1D 172.1(2) . . ?
C1C Au3 Cu3A 145.51(17) . . ?
C1D Au3 Au2 100.20(16) . . ?
C1D Au3 Ag3 42.05(18) . . ?
C1D Au3 Cu3A 42.05(18) . . ?
Cu3A Au3 Au2 60.548(17) . . ?
Au5 Au4 Ag4 55.916(14) . . ?
Au5 Au4 Ag5 56.094(14) . . ?
Au5 Au4 Cu4A 55.916(14) . . ?
Au5 Au4 Cu5A 56.094(14) . . ?
C1G Au4 Au5 98.22(18) . . ?
C1G Au4 Ag4 42.44(18) . . ?
C1G Au4 Ag5 149.31(18) . . ?
C1G Au4 C1H 170.0(3) . . ?
C1G Au4 Cu4A 42.44(18) . . ?
C1G Au4 Cu5A 149.31(18) . . ?
C1H Au4 Au5 91.15(18) . . ?
C1H Au4 Ag4 146.41(18) . . ?
C1H Au4 Ag5 40.58(18) . . ?
C1H Au4 Cu4A 146.41(18) . . ?
C1H Au4 Cu5A 40.58(18) . . ?
C1E Au5 Ag2 46.55(13) . . ?
C1E Au5 Ag3 138.33(17) . . ?
C1E Au5 Ag4 91.02(15) . . ?
C1E Au5 Ag5 112.42(13) . . ?
C1E Au5 Ag6 77.40(17) . . ?
C1E Au5 C1F 177.32(19) . . ?
C1E Au5 Cu2A 46.55(13) . . ?
C1E Au5 Cu3A 138.33(17) . . ?
C1E Au5 Cu6A 77.40(17) . . ?
C1E Au5 Cu4A 91.02(15) . . ?
C1E Au5 Cu5A 112.42(13) . . ?
C1F Au5 Ag2 131.16(14) . . ?
C1F Au5 Ag3 42.14(17) . . ?
C1F Au5 Ag4 90.32(15) . . ?
C1F Au5 Ag5 64.92(13) . . ?
C1F Au5 Ag6 103.67(16) . . ?
C1F Au5 Cu2A 131.16(14) . . ?
C1F Au5 Cu3A 42.14(17) . . ?
C1F Au5 Cu6A 103.67(16) . . ?
C1F Au5 Cu4A 90.32(15) . . ?
C1F Au5 Cu5A 64.92(13) . . ?
Ag6 Au6 Au5 55.601(15) . . ?
C1I Au6 Au5 89.49(15) . . ?
C1I Au6 Ag6 143.24(16) . . ?
C1I Au6 C1J 172.8(2) . . ?
C1I Au6 Cu6A 143.24(16) . . ?
C1J Au6 Au5 97.67(15) . . ?
C1J Au6 Ag6 43.78(15) . . ?
C1J Au6 Cu6A 43.78(15) . . ?
Cu6A Au6 Au5 55.601(15) . . ?
Au2 Ag1 Au1 65.399(13) . . ?
C1C Ag1 Au1 154.45(15) . . ?
C1C Ag1 Au2 89.17(15) . . ?
C1C Ag1 C2C 30.0(2) . . ?
C1C Ag1 C26A 138.87(19) . . ?
C2C Ag1 Au1 172.77(14) . . ?
C2C Ag1 Au2 118.95(17) . . ?
C2C Ag1 C26A 108.9(2) . . ?
C26A Ag1 Au1 66.47(13) . . ?
C26A Ag1 Au2 131.87(13) . . ?
C27A Ag1 Au1 38.08(17) . . ?
C27A Ag1 Au2 103.45(17) . . ?
C27A Ag1 C1C 167.3(2) . . ?
C27A Ag1 C2C 137.3(2) . . ?
C27A Ag1 C26A 28.5(2) . . ?
Au2 Ag2 Au1 66.370(12) . . ?
Au2 Ag2 Au5 71.196(12) . . ?
Au5 Ag2 Au1 136.864(14) . . ?
C1B Ag2 Au1 40.52(15) . . ?
C1B Ag2 Au2 101.56(12) . . ?
C1B Ag2 Au5 151.62(13) . . ?
C1B Ag2 C1E 152.98(18) . . ?
C1B Ag2 C2B 29.17(18) . . ?
C1B Ag2 C2E 128.82(15) . . ?
C1E Ag2 Au1 162.55(16) . . ?
C1E Ag2 Au2 105.10(12) . . ?
C1E Ag2 Au5 41.39(11) . . ?
C1E Ag2 C2B 124.72(17) . . ?
C1E Ag2 C2E 29.03(15) . . ?
C2B Ag2 Au1 69.69(11) . . ?
C2B Ag2 Au2 126.30(8) . . ?
C2B Ag2 Au5 136.41(12) . . ?
C2B Ag2 C2E 106.66(13) . . ?
C2E Ag2 Au1 145.19(13) . . ?
C2E Ag2 Au2 127.05(11) . . ?
C2E Ag2 Au5 70.41(11) . . ?
Au3 Ag3 Au2 61.248(18) . . ?
Au3 Ag3 Au5 127.10(3) . . ?
Au5 Ag3 Au2 68.693(17) . . ?
C1D Ag3 Au2 99.69(18) . . ?
C1D Ag3 Au3 40.80(17) . . ?
C1D Ag3 Au5 147.25(12) . . ?
C1D Ag3 C1F 164.6(2) . . ?
C1D Ag3 C2D 32.6(2) . . ?
C1D Ag3 C2F 137.66(19) . . ?
C1F Ag3 Au2 95.65(14) . . ?
C1F Ag3 Au3 153.64(14) . . ?
C1F Ag3 Au5 40.74(11) . . ?
C1F Ag3 C2D 132.3(2) . . ?
C1F Ag3 C2F 32.05(15) . . ?
C2D Ag3 Au2 130.93(17) . . ?
C2D Ag3 Au3 73.39(16) . . ?
C2D Ag3 Au5 139.14(11) . . ?
C2D Ag3 C2F 113.9(2) . . ?
C2F Ag3 Au2 113.41(13) . . ?
C2F Ag3 Au3 142.86(11) . . ?
C2F Ag3 Au5 72.68(11) . . ?
Au5 Ag4 Au4 61.425(12) . . ?
C1G Ag4 Au4 38.86(16) . . ?
C1G Ag4 Au5 100.15(16) . . ?
C1G Ag4 C1I 167.5(2) . . ?
C1G Ag4 C2G 27.88(19) . . ?
C1G Ag4 C2I 136.4(2) . . ?
C1I Ag4 Au4 153.58(15) . . ?
C1I Ag4 Au5 92.18(14) . . ?
C1I Ag4 C2G 139.69(18) . . ?
C1I Ag4 C2I 31.42(19) . . ?
C2G Ag4 Au4 66.73(11) . . ?
C2G Ag4 Au5 127.99(11) . . ?
C2I Ag4 Au4 173.24(13) . . ?
C2I Ag4 Au5 123.36(15) . . ?
C2I Ag4 C2G 108.65(18) . . ?
Au2 Ag5 Au4 131.321(18) . . ?
Au5 Ag5 Au2 71.736(17) . . ?
Au5 Ag5 Au4 60.830(13) . . ?
C1H Ag5 Au2 145.36(14) . . ?
C1H Ag5 Au4 38.55(16) . . ?
C1H Ag5 Au5 93.79(13) . . ?
C1H Ag5 C1L 158.8(2) . . ?
C1H Ag5 C2H 32.2(2) . . ?
C1H Ag5 C2L 134.57(17) . . ?
C1L Ag5 Au2 41.73(12) . . ?
C1L Ag5 Au4 162.19(14) . . ?
C1L Ag5 Au5 105.93(12) . . ?
C1L Ag5 C2H 126.84(19) . . ?
C1L Ag5 C2L 31.91(17) . . ?
C2H Ag5 Au2 132.30(15) . . ?
C2H Ag5 Au4 70.70(14) . . ?
C2H Ag5 Au5 120.55(10) . . ?
C2H Ag5 C2L 110.89(16) . . ?
C2L Ag5 Au2 73.58(13) . . ?
C2L Ag5 Au4 146.87(13) . . ?
C2L Ag5 Au5 128.56(13) . . ?
Au2 Ag6 Au6 135.85(3) . . ?
Au5 Ag6 Au2 71.787(17) . . ?
Au5 Ag6 Au6 65.545(19) . . ?
C1J Ag6 Au2 156.50(13) . . ?
C1J Ag6 Au5 106.0(2) . . ?
C1J Ag6 Au6 42.4(2) . . ?
C1J Ag6 C1K 153.0(3) . . ?
C1J Ag6 C2J 30.1(3) . . ?
C1J Ag6 C2K 128.2(2) . . ?
C1K Ag6 Au2 42.01(11) . . ?
C1K Ag6 Au5 100.03(16) . . ?
C1K Ag6 Au6 156.24(14) . . ?
C1K Ag6 C2J 125.4(2) . . ?
C1K Ag6 C2K 28.99(14) . . ?
C2J Ag6 Au2 139.87(14) . . ?
C2J Ag6 Au5 134.43(19) . . ?
C2J Ag6 Au6 72.52(18) . . ?
C2J Ag6 C2K 108.6(2) . . ?
C2K Ag6 Au2 70.71(10) . . ?
C2K Ag6 Au5 114.11(15) . . ?
C2K Ag6 Au6 137.85(9) . . ?
C2A C1A C6A 119.5(4) . . ?
C2A C1A C19A 129.2(5) . . ?
C2A C1A C34A 130.1(6) . . ?
C6A C1A C19A 111.3(6) . . ?
C6A C1A C34A 110.3(6) . . ?
Au1 C1B Ag2 95.2(2) . . ?
Au1 C1B Cu2A 95.2(2) . . ?
C2B C1B Au1 176.1(5) . . ?
C2B C1B Ag2 88.6(4) . . ?
C2B C1B Cu2A 88.6(4) . . ?
Au3 C1C Ag1 111.1(2) . . ?
Au3 C1C Cu1A 111.1(2) . . ?
C2C C1C Au3 165.4(5) . . ?
C2C C1C Ag1 82.6(4) . . ?
C2C C1C Cu1A 82.6(4) . . ?
Au3 C1D Ag3 97.2(2) . . ?
Au3 C1D Cu3A 97.2(2) . . ?
C2D C1D Au3 175.9(4) . . ?
C2D C1D Ag3 83.5(4) . . ?
C2D C1D Cu3A 83.5(4) . . ?
Au5 C1E Ag2 92.06(14) . . ?
Au5 C1E Cu2A 92.06(14) . . ?
C2E C1E Au5 178.2(5) . . ?
C2E C1E Ag2 89.4(4) . . ?
C2E C1E Cu2A 89.4(4) . . ?
Au5 C1F Ag3 97.1(2) . . ?
Au5 C1F Cu3A 97.1(2) . . ?
C2F C1F Au5 174.0(4) . . ?
C2F C1F Ag3 83.7(4) . . ?
C2F C1F Cu3A 83.7(4) . . ?
Au4 C1G Ag4 98.7(3) . . ?
Au4 C1G Cu4A 98.7(3) . . ?
C2G C1G Au4 165.1(5) . . ?
C2G C1G Ag4 96.0(4) . . ?
C2G C1G Cu4A 96.0(4) . . ?
Au4 C1H Ag5 100.9(3) . . ?
Au4 C1H Cu5A 100.9(3) . . ?
C2H C1H Au4 178.0(5) . . ?
C2H C1H Ag5 80.2(4) . . ?
C2H C1H Cu5A 80.2(4) . . ?
Au6 C1I Ag4 110.5(2) . . ?
Au6 C1I Cu4A 110.5(2) . . ?
C2I C1I Au6 169.6(5) . . ?
C2I C1I Ag4 79.7(4) . . ?
C2I C1I Cu4A 79.7(4) . . ?
Au6 C1J Ag6 93.8(3) . . ?
Au6 C1J Cu6A 93.8(3) . . ?
C2J C1J Au6 177.8(5) . . ?
C2J C1J Ag6 88.4(4) . . ?
C2J C1J Cu6A 88.4(4) . . ?
Au2 C1K Ag6 92.1(2) . . ?
Au2 C1K Cu6A 92.1(2) . . ?
C2K C1K Au2 169.9(5) . . ?
C2K C1K Ag6 90.9(4) . . ?
C2K C1K Cu6A 90.9(4) . . ?
Au2 C1L Ag5 93.24(14) . . ?
Au2 C1L Cu5A 93.24(14) . . ?
C2L C1L Au2 175.4(5) . . ?
C2L C1L Ag5 84.3(4) . . ?
C2L C1L Cu5A 84.3(4) . . ?
C1A C2A C3A 120.5(5) . . ?
C1B C2B Ag2 62.2(4) . . ?
C1B C2B C5B 173.8(5) . . ?
C1B C2B Cu2A 62.2(4) . . ?
C5B C2B Ag2 123.3(4) . . ?
C5B C2B Cu2A 123.3(4) . . ?
C1C C2C Ag1 67.4(4) . . ?
C1C C2C C5C 171.5(6) . . ?
C1C C2C Cu1A 67.4(4) . . ?
C5C C2C Ag1 121.2(4) . . ?
C5C C2C Cu1A 121.2(4) . . ?
C1D C2D Ag3 63.8(4) . . ?
C1D C2D C5D 175.0(7) . . ?
C1D C2D Cu3A 63.8(4) . . ?
C5D C2D Ag3 121.1(4) . . ?
C5D C2D Cu3A 121.1(4) . . ?
C1E C2E Ag2 61.6(3) . . ?
C1E C2E C5E 174.5(5) . . ?
C1E C2E Cu2A 61.6(3) . . ?
C5E C2E Ag2 122.2(3) . . ?
C5E C2E Cu2A 122.2(3) . . ?
C1F C2F Ag3 64.2(4) . . ?
C1F C2F C5F 171.5(7) . . ?
C1F C2F Cu3A 64.2(4) . . ?
C5F C2F Ag3 123.6(4) . . ?
C5F C2F Cu3A 123.6(4) . . ?
C1G C2G Ag4 56.1(4) . . ?
C1G C2G C5G 168.6(6) . . ?
C5G C2G Ag4 130.9(3) . . ?
C1H C2H Ag5 67.6(4) . . ?
C1H C2H C3H 168.0(7) . . ?
C1H C2H Cu5A 67.6(4) . . ?
C3H C2H Ag5 123.8(4) . . ?
C3H C2H Cu5A 123.8(4) . . ?
C1I C2I Ag4 68.9(3) . . ?
C1I C2I C5I 168.7(6) . . ?
C1I C2I Cu4A 68.9(3) . . ?
C5I C2I Ag4 120.6(4) . . ?
C5I C2I Cu4A 120.6(4) . . ?
C1J C2J Ag6 61.5(4) . . ?
C1J C2J C5J 173.7(6) . . ?
C1J C2J Cu6A 61.5(4) . . ?
C5J C2J Ag6 124.2(4) . . ?
C5J C2J Cu6A 124.2(4) . . ?
C1K C2K Ag6 60.1(4) . . ?
C1K C2K C5K 177.6(6) . . ?
C1K C2K Cu6A 60.1(4) . . ?
C5K C2K Ag6 118.7(4) . . ?
C5K C2K Cu6A 118.7(4) . . ?
C1L C2L Ag5 63.8(3) . . ?
C1L C2L C5L 171.9(5) . . ?
C1L C2L Cu5A 63.8(3) . . ?
C5L C2L Ag5 124.2(4) . . ?
C5L C2L Cu5A 124.2(4) . . ?
C4A C3A C2A 121.2(7) . . ?
C4B C3B C8B 121.1(5) . . ?
C4B C3B C15B 127.3(4) . . ?
C8B C3B C15B 111.6(4) . . ?
C4C C3C C21C 128.3(5) . . ?
C4C C3C C34C 125.4(7) . . ?
C8C C3C C4C 120.1(4) . . ?
C8C C3C C21C 111.4(5) . . ?
C8C C3C C34C 114.3(7) . . ?
C4D C3D C8D 118.3(5) . . ?
C4D C3D C27D 127.6(4) . . ?
C8D C3D C27D 114.1(5) . . ?
C4E C3E C8E 121.6(4) . . ?
C4E C3E C21E 128.0(4) . . ?
C8E C3E C21E 110.3(4) . . ?
C4F C3F C21F 129.0(5) . . ?
C8F C3F C4F 121.0(5) . . ?
C8F C3F C21F 109.9(4) . . ?
C4G C3G C8G 120.9(5) . . ?
C4G C3G C21G 127.6(6) . . ?
C8G C3G C21G 111.5(5) . . ?
C4H C3H C2H 119.6(6) . . ?
C8H C3H C2H 121.2(5) . . ?
C8H C3H C4H 119.1(5) . . ?
C4I C3I C8I 121.1(5) . . ?
C4I C3I C21I 127.8(5) . . ?
C8I C3I C21I 111.1(5) . . ?
C4J C3J C8J 123.2(7) . . ?
C4J C3J C21J 125.6(6) . . ?
C4J C3J C34J 123.7(7) . . ?
C8J C3J C21J 111.0(7) . . ?
C8J C3J C34J 113.2(8) . . ?
C4K C3K C8K 120.2(5) . . ?
C4K C3K C21K 128.7(5) . . ?
C8K C3K C21K 111.1(4) . . ?
C4L C3L C8L 119.7(5) . . ?
C4L C3L C27L 119.5(5) . . ?
C4L C3L C40L 133.4(5) . . ?
C8L C3L C27L 118.6(4) . . ?
C8L C3L C40L 105.8(4) . . ?
C3A C4A C5A 119.8(5) . . ?
C3B C4B C5B 118.8(4) . . ?
C3C C4C C5C 118.4(6) . . ?
C3D C4D C5D 121.4(4) . . ?
C3E C4E C5E 117.7(4) . . ?
C5F C4F C3F 118.8(5) . . ?
C3G C4G C5G 118.9(5) . . ?
C5H C4H C3H 121.0(7) . . ?
C3I C4I C5I 120.1(5) . . ?
C3J C4J C5J 118.1(6) . . ?
C3K C4K C5K 118.6(5) . . ?
C3L C4L C5L 119.4(5) . . ?
C6A C5A C4A 118.8(5) . . ?
C4B C5B C2B 121.4(5) . . ?
C4B C5B C6B 119.4(4) . . ?
C6B C5B C2B 119.1(5) . . ?
C4C C5C C2C 116.9(6) . . ?
C6C C5C C2C 122.2(4) . . ?
C6C C5C C4C 120.8(5) . . ?
C4D C5D C2D 122.4(5) . . ?
C4D C5D C6D 117.7(5) . . ?
C6D C5D C2D 119.8(5) . . ?
C2E C5E C4E 119.2(4) . . ?
C6E C5E C2E 121.2(4) . . ?
C6E C5E C4E 119.5(4) . . ?
C4F C5F C2F 121.1(5) . . ?
C6F C5F C2F 119.0(5) . . ?
C6F C5F C4F 119.8(4) . . ?
C28D C5FB C29D 111.9(7) . . ?
C4G C5G C2G 119.3(5) . . ?
C6G C5G C2G 120.6(5) . . ?
C6G C5G C4G 120.1(6) . . ?
C4H C5H C6H 119.3(7) . . ?
C4I C5I C2I 118.0(5) . . ?
C6I C5I C2I 124.7(5) . . ?
C6I C5I C4I 117.3(5) . . ?
C4J C5J C2J 121.4(6) . . ?
C6J C5J C2J 118.2(6) . . ?
C6J C5J C4J 120.0(8) . . ?
C4K C5K C2K 122.2(5) . . ?
C4K C5K C6K 121.0(3) . . ?
C6K C5K C2K 116.8(5) . . ?
C4L C5L C2L 121.1(4) . . ?
C6L C5L C2L 118.5(5) . . ?
C6L C5L C4L 120.0(4) . . ?
C1A C6A C5A 120.1(5) . . ?
C1A C6A C7A 108.7(3) . . ?
C5A C6A C7A 131.0(5) . . ?
C7B C6B C5B 121.5(5) . . ?
C5C C6C C7C 120.9(4) . . ?
C7D C6D C5D 121.9(5) . . ?
C7E C6E C5E 122.3(5) . . ?
C5F C6F C7F 121.2(5) . . ?
C7G C6G C5G 119.8(5) . . ?
C5H C6H C7H 120.3(6) . . ?
C5H C6H C9H 131.2(7) . . ?
C7H C6H C9H 108.5(7) . . ?
C7I C6I C5I 123.4(5) . . ?
C5J C6J C7J 117.8(6) . . ?
C7K C6K C5K 119.7(5) . . ?
C7L C6L C5L 120.3(5) . . ?
C8A C7A C6A 131.0(3) . . ?
C12A C7A C6A 108.2(4) . . ?
C12A C7A C8A 120.6(5) . . ?
C6B C7B C8B 119.4(5) . . ?
C6C C7C C8C 119.2(6) . . ?
C8D C7D C6D 118.9(5) . . ?
C6E C7E C8E 118.8(4) . . ?
C8F C7F C6F 119.7(5) . . ?
C6G C7G C8G 119.7(5) . . ?
C6H C7H C21H 113.0(5) . . ?
C8H C7H C6H 120.1(7) . . ?
C8H C7H C21H 126.9(6) . . ?
C6I C7I C8I 117.7(5) . . ?
C8J C7J C6J 120.9(7) . . ?
C6K C7K C8K 120.1(5) . . ?
C8L C7L C6L 119.6(5) . . ?
C9A C8A C7A 117.7(4) . . ?
C3B C8B C9B 106.9(4) . . ?
C7B C8B C3B 119.7(4) . . ?
C7B C8B C9B 133.4(4) . . ?
C3C C8C C7C 120.5(5) . . ?
C3C C8C C9C 108.5(4) . . ?
C7C C8C C9C 131.0(5) . . ?
C3D C8D C9D 105.9(5) . . ?
C7D C8D C3D 121.9(6) . . ?
C7D C8D C9D 132.1(5) . . ?
C3E C8E C9E 109.2(4) . . ?
C7E C8E C3E 120.0(4) . . ?
C7E C8E C9E 130.8(4) . . ?
C3F C8F C9F 110.1(5) . . ?
C7F C8F C3F 119.4(4) . . ?
C7F C8F C9F 130.4(5) . . ?
C3G C8G C9G 108.9(5) . . ?
C7G C8G C3G 120.7(6) . . ?
C7G C8G C9G 130.5(5) . . ?
C7H C8H C3H 120.2(6) . . ?
C3I C8I C7I 120.5(5) . . ?
C3I C8I C9I 108.9(5) . . ?
C7I C8I C9I 130.5(5) . . ?
C3J C8J C9J 109.9(6) . . ?
C7J C8J C3J 119.9(9) . . ?
C7J C8J C9J 130.2(7) . . ?
C3K C8K C9K 108.5(4) . . ?
C7K C8K C3K 120.1(4) . . ?
C7K C8K C9K 131.2(5) . . ?
C3L C8L C9L 96.1(5) . . ?
C3L C8L C15L 114.1(5) . . ?
C7L C8L C3L 120.9(4) . . ?
C7L C8L C9L 143.0(5) . . ?
C7L C8L C15L 125.0(5) . . ?
C10A C9A C8A 120.4(5) . . ?
C10B C9B C8B 131.6(5) . . ?
C10B C9B C14B 118.5(5) . . ?
C14B C9B C8B 109.7(4) . . ?
C10C C9C C8C 130.2(4) . . ?
C10C C9C C14C 121.8(5) . . ?
C14C C9C C8C 107.9(5) . . ?
C10D C9D C8D 131.2(5) . . ?
C10D C9D C14D 119.0(5) . . ?
C14D C9D C8D 109.8(4) . . ?
C10E C9E C8E 131.5(5) . . ?
C10E C9E C14E 120.2(5) . . ?
C14E C9E C8E 108.3(4) . . ?
C10F C9F C8F 131.9(7) . . ?
C10F C9F C14F 121.7(5) . . ?
C14F C9F C8F 106.4(5) . . ?
C10G C9G C8G 131.4(6) . . ?
C10G C9G C14G 120.5(7) . . ?
C14G C9G C8G 108.0(6) . . ?
C10H C9H C6H 133.4(8) . . ?
C14H C9H C6H 107.6(6) . . ?
C14H C9H C10H 119.0(7) . . ?
C10I C9I C8I 131.2(5) . . ?
C10I C9I C14I 119.6(6) . . ?
C14I C9I C8I 109.2(5) . . ?
C10J C9J C8J 131.5(6) . . ?
C10J C9J C14J 122.4(8) . . ?
C14J C9J C8J 106.0(7) . . ?
C10K C9K C8K 131.3(6) . . ?
C10K C9K C14K 120.3(4) . . ?
C14K C9K C8K 108.4(4) . . ?
C14L C9L C8L 117.0(4) . . ?
C14L C9L C10L 120.0 . . ?
C10L C9L C8L 121.8(4) . . ?
C9L C14L C27L 110.6(6) . . ?
C13L C14L C9L 120.0 . . ?
C13L C14L C27L 129.4(6) . . ?
C14L C13L C12L 120.0 . . ?
C11L C12L C13L 120.0 . . ?
C12L C11L C10L 120.0 . . ?
C11L C10L C9L 120.0 . . ?
C9A C10A C26A 118.0(5) . . ?
C11A C10A C9A 122.0(5) . . ?
C11A C10A C26A 120.0(3) . . ?
C11B C10B C9B 120.2(6) . . ?
C9C C10C C11C 118.5(5) . . ?
C11D C10D C9D 120.5(5) . . ?
C11E C10E C9E 118.4(6) . . ?
C9F C10F C11F 119.0(8) . . ?
C9G C10G C11G 117.1(8) . . ?
C11H C10H C9H 118.4(9) . . ?
C9I C10I C11I 120.1(6) . . ?
C11J C10J C9J 117.3(8) . . ?
C9K C10K C11K 119.1(7) . . ?
C10A C11A C12A 118.8(4) . . ?
C10B C11B C12B 119.9(5) . . ?
C10C C11C C12C 119.3(7) . . ?
C10D C11D C12D 119.7(5) . . ?
C10E C11E C12E 122.1(5) . . ?
C12F C11F C10F 118.9(7) . . ?
C12G C11G C10G 122.5(9) . . ?
C12H C11H C10H 123.9(8) . . ?
C12I C11I C10I 118.8(7) . . ?
C10J C11J C12J 122.1(10) . . ?
C12K C11K C10K 119.9(6) . . ?
C7A C12A C19A 110.1(5) . . ?
C7A C12A C34A 112.2(6) . . ?
C11A C12A C7A 120.2(5) . . ?
C11A C12A C19A 129.6(4) . . ?
C11A C12A C34A 127.6(5) . . ?
C13B C12B C11B 120.9(6) . . ?
C13C C12C C11C 122.1(6) . . ?
C13D C12D C11D 119.5(6) . . ?
C13E C12E C11E 119.1(6) . . ?
C11F C12F C13F 125.0(6) . . ?
C11G C12G C13G 121.0(9) . . ?
C11H C12H C13H 119.3(9) . . ?
C13I C12I C11I 121.6(7) . . ?
C13J C12J C11J 120.8(10) . . ?
C11K C12K C13K 123.1(5) . . ?
C14B C13B C12B 120.2(6) . . ?
C12C C13C C14C 119.4(5) . . ?
C14D C13D C12D 120.0(5) . . ?
C14E C13E C12E 120.2(6) . . ?
C12F C13F C14F 115.4(8) . . ?
C12G C13G C14G 118.1(9) . . ?
C14H C13H C12H 118.4(10) . . ?
C14I C13I C12I 121.0(6) . . ?
C12J C13J C14J 116.8(9) . . ?
C12K C13K C14K 117.1(7) . . ?
C13A C14A C15A 108.4(9) . . ?
C9B C14B C15B 110.2(4) . . ?
C13B C14B C9B 120.2(4) . . ?
C13B C14B C15B 129.6(5) . . ?
C9C C14C C21C 111.9(5) . . ?
C9C C14C C34C 111.5(5) . . ?
C13C C14C C9C 118.9(6) . . ?
C13C C14C C21C 129.2(5) . . ?
C13C C14C C34C 129.4(5) . . ?
C9D C14D C27D 110.4(5) . . ?
C13D C14D C9D 121.3(5) . . ?
C13D C14D C27D 128.3(5) . . ?
C9E C14E C21E 110.9(4) . . ?
C13E C14E C9E 119.9(4) . . ?
C13E C14E C21E 129.1(5) . . ?
C9F C14F C21F 112.6(5) . . ?
C13F C14F C9F 120.0(6) . . ?
C13F C14F C21F 127.4(7) . . ?
C9G C14G C21G 110.9(6) . . ?
C13G C14G C9G 120.6(8) . . ?
C13G C14G C21G 128.5(8) . . ?
C9H C14H C13H 121.0(7) . . ?
C9H C14H C21H 113.9(6) . . ?
C13H C14H C21H 125.1(8) . . ?
C9I C14I C21I 109.9(5) . . ?
C13I C14I C9I 118.9(5) . . ?
C13I C14I C21I 130.9(5) . . ?
C9J C14J C13J 120.6(8) . . ?
C9J C14J C21J 112.4(8) . . ?
C9J C14J C34J 115.6(8) . . ?
C13J C14J C21J 127.0(7) . . ?
C13J C14J C34J 123.7(8) . . ?
C9K C14K C13K 120.3(5) . . ?
C9K C14K C21K 112.3(4) . . ?
C13K C14K C21K 127.4(6) . . ?
C16A C15A C14A 108.9(7) . . ?
C3B C15B C21B 111.9(4) . . ?
C3B C15B C22B 110.3(3) . . ?
C14B C15B C3B 101.5(3) . . ?
C14B C15B C21B 112.7(3) . . ?
C14B C15B C22B 111.4(4) . . ?
C21B C15B C22B 108.9(3) . . ?
C20L C15L C8L 104.7(3) . . ?
C20L C15L C16L 120.0 . . ?
C16L C15L C8L 135.3(3) . . ?
C15L C20L C40L 113.2(3) . . ?
C19L C20L C15L 120.0 . . ?
C19L C20L C40L 126.7(3) . . ?
C20L C19L C18L 120.0 . . ?
C17L C18L C19L 120.0 . . ?
C18L C17L C16L 120.0 . . ?
C17L C16L C15L 120.0 . . ?
C15A C16A C17A 108.8(7) . . ?
C15C C16C C17C 109.0(8) . . ?
C17D C16D C15D 113.2(6) . . ?
C15E C16E C17E 113.6(7) . . ?
C15F C16F C17F 107.0(8) . . ?
C15G C16G C17G 113.6(11) . . ?
C15H C16H C17H 114.8(7) . . ?
C15I C16I C17I 113.8(7) . . ?
C17J C16J C15J 107.0(8) . . ?
C15K C16K C17K 115.7(9) . . ?
C18A C17A C16A 109.3(6) . . ?
C18B C17B C16B 113.1(6) . . ?
C18C C17C C16C 107.1(8) . . ?
C16D C17D C18D 115.8(5) . . ?
C16E C17E C18E 108.2(6) . . ?
C18F C17F C16F 107.5(7) . . ?
C18G C17G C16G 112.6(10) . . ?
C18H C17H C16H 114.2(5) . . ?
C16I C17I C18I 107.9(6) . . ?
C16J C17J C18J 107.4(7) . . ?
C18K C17K C16K 114.5(8) . . ?
C17A C18A C19A 108.9(6) . . ?
C19B C18B C17B 115.7(5) . . ?
C17C C18C C19C 110.3(6) . . ?
C17D C18D C19D 114.2(4) . . ?
C17E C18E C19E 112.0(6) . . ?
C17F C18F C19F 109.9(6) . . ?
C30F C18F C19F 107.2(6) . . ?
C17G C18G C19G 110.8(9) . . ?
C17H C18H C19H 114.5(5) . . ?
C17I C18I C19I 115.1(5) . . ?
C19J C18J C17J 108.6(7) . . ?
C17K C18K C19K 116.4(7) . . ?
C1A C19A C12A 101.2(4) . . ?
C1A C19A C18A 110.2(8) . . ?
C1A C19A C20A 116.8(7) . . ?
C12A C19A C18A 118.3(7) . . ?
C12A C19A C20A 104.7(8) . . ?
C18A C19A C20A 106.1(5) . . ?
C18B C19B C20B 114.6(4) . . ?
C20C C19C C18C 110.3(6) . . ?
C20D C19D C18D 113.4(4) . . ?
C20E C19E C18E 113.4(6) . . ?
C20F C19F C18F 108.2(6) . . ?
C20G C19G C18G 107.6(8) . . ?
C20H C19H C18H 114.8(6) . . ?
C20I C19I C18I 113.2(6) . . ?
C20J C19J C18J 112.8(6) . . ?
C20K C19K C18K 112.2(6) . . ?
C21A C20A C19A 110.9(6) . . ?
C21B C20B C19B 112.4(4) . . ?
C19C C20C C21C 114.2(6) . . ?
C19D C20D C27D 116.4(4) . . ?
C19E C20E C21E 116.1(5) . . ?
C19F C20F C21F 116.0(7) . . ?
C19G C20G C21G 120.9(7) . . ?
C32G C20G C21G 113.5(7) . . ?
C19H C20H C21H 118.3(6) . . ?
C19I C20I C21I 115.5(5) . . ?
C21I C20I C32I 112.9(6) . . ?
C19J C20J C21J 113.4(5) . . ?
C19K C20K C21K 116.0(6) . . ?
C20A C21A C22A 106.6(6) . . ?
C20B C21B C15B 118.0(4) . . ?
C14C C21C C3C 99.9(4) . . ?
C14C C21C C20C 117.8(7) . . ?
C14C C21C C22C 110.9(6) . . ?
C20C C21C C3C 111.6(5) . . ?
C22C C21C C3C 110.2(5) . . ?
C22C C21C C20C 106.4(5) . . ?
C22D C21D C27D 114.4(5) . . ?
C3E C21E C22E 110.6(5) . . ?
C14E C21E C3E 101.3(4) . . ?
C14E C21E C20E 112.8(5) . . ?
C14E C21E C22E 112.1(4) . . ?
C20E C21E C3E 111.7(4) . . ?
C20E C21E C22E 108.3(4) . . ?
C3F C21F C22F 111.8(6) . . ?
C14F C21F C3F 100.8(5) . . ?
C14F C21F C20F 114.1(6) . . ?
C14F C21F C22F 112.1(5) . . ?
C20F C21F C3F 110.3(5) . . ?
C20F C21F C22F 107.7(6) . . ?
C3G C21G C20G 111.7(4) . . ?
C3G C21G C33G 104.3(7) . . ?
C14G C21G C3G 100.5(5) . . ?
C14G C21G C20G 104.7(6) . . ?
C14G C21G C33G 128.9(6) . . ?
C22G C21G C3G 116.6(7) . . ?
C22G C21G C14G 104.6(5) . . ?
C22G C21G C20G 116.2(6) . . ?
C33G C21G C20G 106.3(6) . . ?
C7H C21H C14H 96.7(6) . . ?
C7H C21H C20H 109.8(5) . . ?
C7H C21H C22H 101.0(5) . . ?
C7H C21H C28H 119.4(5) . . ?
C14H C21H C28H 121.5(6) . . ?
C20H C21H C14H 112.2(4) . . ?
C20H C21H C22H 122.9(6) . . ?
C20H C21H C28H 97.6(6) . . ?
C22H C21H C14H 110.4(6) . . ?
C3I C21I C22I 111.9(4) . . ?
C14I C21I C3I 100.1(4) . . ?
C14I C21I C22I 107.9(4) . . ?
C20I C21I C3I 113.3(4) . . ?
C20I C21I C14I 113.3(5) . . ?
C20I C21I C22I 109.9(4) . . ?
C3J C21J C14J 100.6(6) . . ?
C3J C21J C20J 114.1(7) . . ?
C3J C21J C22J 110.6(8) . . ?
C14J C21J C20J 108.9(9) . . ?
C14J C21J C22J 113.2(8) . . ?
C20J C21J C22J 109.3(6) . . ?
C3K C21K C14K 99.5(5) . . ?
C3K C21K C22K 111.8(5) . . ?
C20K C21K C3K 111.7(5) . . ?
C20K C21K C14K 114.9(5) . . ?
C20K C21K C22K 106.3(6) . . ?
C22K C21K C14K 112.7(5) . . ?
C25A C22A C21A 111.0(9) . . ?
C23B C22B C15B 116.3(4) . . ?
C23C C22C C21C 114.1(5) . . ?
C21D C22D C23D 96.8(6) . . ?
C21D C22D C28D 123.9(7) . . ?
C23E C22E C21E 116.3(5) . . ?
C23F C22F C21F 117.6(6) . . ?
C23G C22G C21G 115.7(6) . . ?
C23H C22H C21H 109.2(6) . . ?
C23I C22I C21I 119.8(4) . . ?
C23J C22J C21J 113.1(6) . . ?
C23K C22K C21K 117.5(7) . . ?
C23L C22L C21L 110.4(10) . . ?
C24A C23A C25A 109.6(11) . . ?
C22B C23B C24B 112.3(4) . . ?
C22C C23C C24C 110.9(5) . . ?
C24D C23D C22D 104.4(7) . . ?
C22E C23E C24E 112.8(5) . . ?
C22F C23F C24F 119.4(7) . . ?
C22F C23F C31F 103.1(6) . . ?
C22G C23G C24G 115.3(7) . . ?
C22H C23H C24H 112.5(6) . . ?
C22I C23I C24I 104.2(5) . . ?
C22I C23I C33I 114.8(6) . . ?
C22J C23J C24J 107.3(6) . . ?
C22K C23K C24K 117.2(8) . . ?
C22K C23K C28K 105.4(6) . . ?
C22L C23L C24L 108.0(7) . . ?
C23B C24B C25B 115.3(5) . . ?
C23B C24B C28B 116.5(4) . . ?
C25C C24C C23C 110.3(5) . . ?
C25D C24D C23D 105.8(8) . . ?
C25E C24E C23E 114.9(5) . . ?
C23F C24F C25F 114.7(7) . . ?
C23G C24G C25G 114.4(7) . . ?
C23H C24H C25H 109.7(6) . . ?
C25I C24I C23I 115.0(6) . . ?
C25J C24J C23J 108.8(6) . . ?
C25K C24K C23K 108.0(7) . . ?
C23L C24L C25L 105.3(7) . . ?
C22A C25A C23A 107.4(10) . . ?
C24B C25B C26B 112.7(6) . . ?
C26C C25C C24C 113.5(6) . . ?
C24D C25D C26D 109.5(7) . . ?
C24E C25E C26E 113.4(6) . . ?
C24E C25E C28E 117.1(6) . . ?
C24F C25F C26F 114.5(8) . . ?
C24G C25G C26G 111.0(7) . . ?
C26H C25H C24H 108.4(9) . . ?
C24I C25I C26I 110.5(8) . . ?
C46J C25J C24J 111.8(6) . . ?
C24K C25K C26K 115.3(9) . . ?
C26L C25L C24L 109.2(6) . . ?
C10A C26A Ag1 130.1(4) . . ?
C10A C26A Cu1A 130.1(4) . . ?
C27A C26A Ag1 59.2(4) . . ?
C27A C26A C10A 169.6(6) . . ?
C27A C26A Cu1A 59.2(4) . . ?
C25B C26B C27B 110.1(12) . . ?
C25C C26C C27C 105.8(8) . . ?
C27E C26E C25E 110.7(8) . . ?
C25F C26F C27F 106.8(8) . . ?
C25G C26G C27G 106.7(7) . . ?
C27H C26H C25H 109.9(10) . . ?
C25I C26I C27I 105.9(9) . . ?
C25J C46J C27J 108.9(8) . . ?
C27K C26K C25K 112.0(10) . . ?
C25L C26L C27L 115.1(7) . . ?
Au1 C27A Ag1 100.3(3) . . ?
Au1 C27A Cu1A 100.3(3) . . ?
C26A C27A Au1 166.4(6) . . ?
C26A C27A Ag1 92.3(5) . . ?
C26A C27A Cu1A 92.3(5) . . ?
C3D C27D C14D 99.6(4) . . ?
C3D C27D C20D 111.0(4) . . ?
C3D C27D C21D 112.8(6) . . ?
C14D C27D C20D 111.6(6) . . ?
C14D C27D C21D 111.8(4) . . ?
C21D C27D C20D 109.7(4) . . ?
C14L C27L C3L 93.0(5) . . ?
C26L C27L C3L 126.0(8) . . ?
C26L C27L C14L 111.7(6) . . ?
C26L C27L C28L 105.9(6) . . ?
C28L C27L C3L 107.0(5) . . ?
C28L C27L C14L 112.9(8) . . ?
C24B C28B C29B 115.2(9) . . ?
C5FB C28D C22D 114.3(7) . . ?
C29E C28E C25E 111.0(12) . . ?
C29H C28H C21H 110.1(7) . . ?
C29K C28K C23K 107.2(7) . . ?
C29L C28L C27L 115.2(6) . . ?
C28A C29A C30A 108.4(7) . . ?
C30B C29B C28B 114.4(10) . . ?
C28C C29C C30C 109.0(11) . . ?
C30D C29D C5FB 107.5(10) . . ?
C30F C29F C28F 106.0(9) . . ?
C28G C29G C30G 105.9(12) . . ?
C28H C29H C30H 112.2(8) . . ?
C30I C29I C28I 108.6(9) . . ?
C30J C29J C28J 108.5(11) . . ?
C28K C29K C30K 112.0(8) . . ?
C30L C29L C28L 109.2(7) . . ?
C31A C30A C29A 109.2(6) . . ?
C31C C30C C29C 105.6(10) . . ?
C18F C30F C29F 110.0(10) . . ?
C31G C30G C29G 110.7(6) . . ?
C31H C30H C29H 110.1(6) . . ?
C29I C30I C31I 108.0(10) . . ?
C29J C30J C31J 111.9(10) . . ?
C31K C30K C29K 112.6(9) . . ?
C31L C30L C29L 114.9(7) . . ?
C30A C31A C32A 110.4(7) . . ?
C32C C31C C30C 113.5(9) . . ?
C32F C31F C23F 112.3(7) . . ?
C30G C31G C32G 110.8(6) . . ?
C30H C31H C32H 115.6(6) . . ?
C30I C31I C32I 148.5(9) . . ?
C30J C31J C32J 110.0(8) . . ?
C30L C31L C32L 109.4(8) . . ?
C33A C32A C31A 105.8(6) . . ?
C31C C32C C33C 110.9(8) . . ?
C31F C32F C33F 105.7(8) . . ?
C20G C32G C31G 111.5(8) . . ?
C31H C32H C33H 110.4(9) . . ?
C20I C32I C31I 115.6(10) . . ?
C33J C32J C31J 111.7(10) . . ?
C33L C32L C31L 107.3(10) . . ?
C34A C33A C32A 117.3(6) . . ?
C32C C33C C34C 114.1(7) . . ?
C34F C33F C32F 109.1(9) . . ?
C34G C33G C21G 112.0(8) . . ?
C23I C33I C34I 109.3(7) . . ?
C32J C33J C34J 111.5(9) . . ?
C12A C34A C1A 100.3(5) . . ?
C12A C34A C35A 120.8(9) . . ?
C33A C34A C1A 118.0(10) . . ?
C33A C34A C12A 111.1(8) . . ?
C33A C34A C35A 104.9(6) . . ?
C35A C34A C1A 102.1(7) . . ?
C3C C34C C14C 97.4(7) . . ?
C3C C34C C33C 114.2(6) . . ?
C3C C34C C35C 117.7(8) . . ?
C33C C34C C14C 99.7(10) . . ?
C33C C34C C35C 111.8(8) . . ?
C35C C34C C14C 113.7(8) . . ?
C33G C34G C35G 113.5(8) . . ?
C33I C34I C35I 107.2(6) . . ?
C14J C34J C3J 95.2(6) . . ?
C33J C34J C3J 99.7(9) . . ?
C33J C34J C14J 129.9(10) . . ?
C35J C34J C3J 122.3(11) . . ?
C35J C34J C14J 105.0(10) . . ?
C35J C34J C33J 106.5(7) . . ?
C36A C35A C34A 118.3(8) . . ?
C36C C35C C34C 114.0(8) . . ?
C34G C35G C36G 110.7(8) . . ?
C36I C35I C34I 106.2(7) . . ?
C36J C35J C34J 114.2(8) . . ?
C36L C35L C34L 106.9(9) . . ?
C35A C36A C37A 109.4(8) . . ?
C35C C36C C37C 114.3(9) . . ?
C37G C36G C35G 110.0(9) . . ?
C35J C36J C37J 111.8(8) . . ?
C35L C36L C37L 108.8(8) . . ?
C38A C37A C36A 112.0(10) . . ?
C38C C37C C36C 114.1(11) . . ?
C36G C37G C38G 107.5(10) . . ?
C38J C37J C36J 107.6(7) . . ?
C38L C37L C36L 103.3(7) . . ?
C37A C38A C39A 110.7(10) . . ?
C39C C38C C37C 118.1(9) . . ?
C39J C38J C37J 109.5(7) . . ?
C39L C38L C37L 114.4(6) . . ?
C40A C39A C38A 112.9(12) . . ?
C38C C39C C40C 116.0(10) . . ?
C38J C39J C40J 111.4(9) . . ?
C38L C39L C40L 113.4(5) . . ?
C20L C40L C3L 101.1(4) . . ?
C20L C40L C39L 114.2(4) . . ?
C20L C40L C41L 106.5(5) . . ?
C39L C40L C3L 104.3(5) . . ?
C41L C40L C3L 116.2(4) . . ?
C41L C40L C39L 114.0(5) . . ?
C40L C41L C42L 117.3(6) . . ?
C43L C42L C41L 112.8(6) . . ?
C44L C43L C42L 116.8(6) . . ?
C45L C44L C43L 117.6(7) . . ?
C44L C45L C46L 115.9(8) . . ?
Au2 Cu1A Au1 65.399(13) . . ?
C1C Cu1A Au1 154.45(15) . . ?
C1C Cu1A Au2 89.17(15) . . ?
C1C Cu1A C2C 30.0(2) . . ?
C1C Cu1A C26A 138.87(19) . . ?
C2C Cu1A Au1 172.77(14) . . ?
C2C Cu1A Au2 118.95(17) . . ?
C2C Cu1A C26A 108.9(2) . . ?
C26A Cu1A Au1 66.47(13) . . ?
C26A Cu1A Au2 131.87(13) . . ?
C27A Cu1A Au1 38.08(17) . . ?
C27A Cu1A Au2 103.45(17) . . ?
C27A Cu1A C1C 167.3(2) . . ?
C27A Cu1A C2C 137.3(2) . . ?
C27A Cu1A C26A 28.5(2) . . ?
Au2 Cu2A Au1 66.370(12) . . ?
Au2 Cu2A Au5 71.196(12) . . ?
Au5 Cu2A Au1 136.864(14) . . ?
C1B Cu2A Au1 40.52(15) . . ?
C1B Cu2A Au2 101.56(12) . . ?
C1B Cu2A Au5 151.62(13) . . ?
C1B Cu2A C1E 152.98(18) . . ?
C1B Cu2A C2B 29.17(18) . . ?
C1B Cu2A C2E 128.82(15) . . ?
C1E Cu2A Au1 162.55(16) . . ?
C1E Cu2A Au2 105.10(12) . . ?
C1E Cu2A Au5 41.39(11) . . ?
C1E Cu2A C2B 124.72(17) . . ?
C1E Cu2A C2E 29.03(15) . . ?
C2B Cu2A Au1 69.69(11) . . ?
C2B Cu2A Au2 126.30(8) . . ?
C2B Cu2A Au5 136.41(12) . . ?
C2B Cu2A C2E 106.66(13) . . ?
C2E Cu2A Au1 145.19(13) . . ?
C2E Cu2A Au2 127.05(11) . . ?
C2E Cu2A Au5 70.41(11) . . ?
Au3 Cu3A Au2 61.248(18) . . ?
Au3 Cu3A Au5 127.10(3) . . ?
Au5 Cu3A Au2 68.693(17) . . ?
C1D Cu3A Au2 99.69(18) . . ?
C1D Cu3A Au3 40.80(17) . . ?
C1D Cu3A Au5 147.25(12) . . ?
C1D Cu3A C1F 164.6(2) . . ?
C1D Cu3A C2D 32.6(2) . . ?
C1D Cu3A C2F 137.66(19) . . ?
C1F Cu3A Au2 95.65(14) . . ?
C1F Cu3A Au3 153.64(14) . . ?
C1F Cu3A Au5 40.74(11) . . ?
C1F Cu3A C2D 132.3(2) . . ?
C1F Cu3A C2F 32.05(15) . . ?
C2D Cu3A Au2 130.93(17) . . ?
C2D Cu3A Au3 73.39(16) . . ?
C2D Cu3A Au5 139.14(11) . . ?
C2D Cu3A C2F 113.9(2) . . ?
C2F Cu3A Au2 113.41(13) . . ?
C2F Cu3A Au3 142.86(11) . . ?
C2F Cu3A Au5 72.68(11) . . ?
Au2 Cu6A Au6 135.85(3) . . ?
Au5 Cu6A Au2 71.787(17) . . ?
Au5 Cu6A Au6 65.545(19) . . ?
C1J Cu6A Au2 156.50(13) . . ?
C1J Cu6A Au5 106.0(2) . . ?
C1J Cu6A Au6 42.4(2) . . ?
C1J Cu6A C1K 153.0(3) . . ?
C1J Cu6A C2J 30.1(3) . . ?
C1J Cu6A C2K 128.2(2) . . ?
C1K Cu6A Au2 42.01(11) . . ?
C1K Cu6A Au5 100.03(16) . . ?
C1K Cu6A Au6 156.24(14) . . ?
C1K Cu6A C2J 125.4(2) . . ?
C1K Cu6A C2K 28.99(14) . . ?
C2J Cu6A Au2 139.87(14) . . ?
C2J Cu6A Au5 134.43(19) . . ?
C2J Cu6A Au6 72.52(18) . . ?
C2J Cu6A C2K 108.6(2) . . ?
C2K Cu6A Au2 70.71(10) . . ?
C2K Cu6A Au5 114.11(15) . . ?
C2K Cu6A Au6 137.85(9) . . ?
Au5 Cu4A Au4 61.425(12) . . ?
C1G Cu4A Au4 38.86(16) . . ?
C1G Cu4A Au5 100.15(16) . . ?
C1G Cu4A C1I 167.5(2) . . ?
C1G Cu4A C2I 136.4(2) . . ?
C1I Cu4A Au4 153.58(15) . . ?
C1I Cu4A Au5 92.18(14) . . ?
C1I Cu4A C2I 31.42(19) . . ?
C2I Cu4A Au4 173.24(13) . . ?
C2I Cu4A Au5 123.36(15) . . ?
Au2 Cu5A Au4 131.321(18) . . ?
Au5 Cu5A Au2 71.736(17) . . ?
Au5 Cu5A Au4 60.830(13) . . ?
C1H Cu5A Au2 145.36(14) . . ?
C1H Cu5A Au4 38.55(16) . . ?
C1H Cu5A Au5 93.79(13) . . ?
C1H Cu5A C1L 158.8(2) . . ?
C1H Cu5A C2H 32.2(2) . . ?
C1H Cu5A C2L 134.57(17) . . ?
C1L Cu5A Au2 41.73(12) . . ?
C1L Cu5A Au4 162.19(14) . . ?
C1L Cu5A Au5 105.93(12) . . ?
C1L Cu5A C2H 126.84(19) . . ?
C1L Cu5A C2L 31.91(17) . . ?
C2H Cu5A Au2 132.30(15) . . ?
C2H Cu5A Au4 70.70(14) . . ?
C2H Cu5A Au5 120.55(10) . . ?
C2H Cu5A C2L 110.89(16) . . ?
C2L Cu5A Au2 73.58(13) . . ?
C2L Cu5A Au4 146.87(13) . . ?
C2L Cu5A Au5 128.56(13) . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.452 0.250 0.298 2221.6 468.1 ?
2 0.449 0.750 0.699 2221.6 468.1 ?
3 0.070 0.411 0.236 7.4 0.1 ?
4 0.070 0.589 0.736 7.4 0.1 ?
5 0.237 0.402 0.293 16.4 0.5 ?
6 0.237 0.598 0.793 16.4 0.5 ?
7 0.263 0.098 0.707 16.4 0.5 ?
8 0.263 0.902 0.207 16.4 0.5 ?
9 0.430 0.089 0.764 7.4 0.0 ?
10 0.430 0.911 0.264 7.4 0.0 ?
11 0.570 0.089 0.736 7.4 0.1 ?
12 0.570 0.911 0.236 7.4 0.1 ?
13 0.737 0.098 0.793 16.4 0.5 ?
14 0.737 0.902 0.293 16.4 0.5 ?
15 0.763 0.402 0.207 16.4 0.5 ?
16 0.763 0.598 0.707 16.4 0.5 ?
17 0.930 0.411 0.264 7.4 0.0 ?
18 0.930 0.589 0.764 7.4 0.0 ?

_olex2_submission_special_instructions 'No special instructions were received'
# start Validation Reply Form
_vrf_PLAT413_cxy660_0m           
;
PROBLEM: Short Inter XH3 .. XHn     H16E   ..  H36G    ..       1.84 Ang.  
RESPONSE: The alkyl chains of alkynyl ligands are highlydisordered, and some 
H atoms on the alkyl chains of different disorder parts have short distances.
;
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Toluene/MeCN'
_exptl_crystal_preparation       ', Luminescent'
####################################################################### 
# 
# 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_cxy645_0m
_database_code_depnum_ccdc_archive 'CCDC 1554173'
_audit_update_record             
;
2017-06-05 deposited with the CCDC.
2017-09-18 downloaded from the CCDC.
;
_audit_creation_date             2017-06-05
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        C6_FLuoAuAg
_chemical_formula_moiety         'C324 H396 Ag6 Au6'
_chemical_formula_sum            'C324 H396 Ag6 Au6'
_chemical_formula_weight         6119.40
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0150 0.0070 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.0960 3.3590 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.8270 6.1600 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   80.362(3)
_cell_length_b                   18.8467(8)
_cell_length_c                   51.284(2)
_cell_angle_alpha                90
_cell_angle_beta                 128.2992(14)
_cell_angle_gamma                90
_cell_volume                     60956(4)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9561
_cell_measurement_temperature    200
_cell_measurement_theta_max      51.97
_cell_measurement_theta_min      2.48
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.015
_exptl_absorpt_correction_T_max  0.7503
_exptl_absorpt_correction_T_min  0.5542
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1121 before and 0.0703 after correction. The Ratio of minimum to maximum transmission is 0.7386. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             24768
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.26
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0500
_diffrn_reflns_av_unetI/netI     0.0541
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       94
_diffrn_reflns_limit_h_min       -94
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       60
_diffrn_reflns_limit_l_min       -60
_diffrn_reflns_number            200547
_diffrn_reflns_point_group_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        52.114
_diffrn_reflns_theta_max         52.114
_diffrn_reflns_theta_min         2.483
_diffrn_ambient_temperature      200
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker D8 venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                33327
_reflns_number_total             50720
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.225
_refine_diff_density_min         -1.426
_refine_diff_density_rms         0.160
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.144
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3372
_refine_ls_number_reflns         50720
_refine_ls_number_restraints     1239
_refine_ls_R_factor_all          0.1568
_refine_ls_R_factor_gt           0.1051
_refine_ls_restrained_S_all      1.140
_refine_ls_shift/su_max          0.042
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+2903.3467P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2022
_refine_ls_wR_factor_ref         0.2320
_refine_special_details          ', SQUEEZE'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C33G-C21G = C22G-C21G = C33G-C34G = C22G-C23G = C35G-C34G = C24G-C23G
 1.54 with sigma of 0.02
 C37G-C38G
 1.54 with sigma of 0.02
 C40L-C3L
 1.54 with sigma of 0.02
 C27L-C14L = C40L-C20L
 1.53 with sigma of 0.02
 C41L-C40L = C41L-C42L = C43L-C42L = C43L-C44L = C44L-C45L = C46L-C45L
 1.54 with sigma of 0.02
 C28L-C27L = C28L-C29L = C30L-C29L = C30L-C31L = C31L-C32L = C33L-C32L = C25L-
 C26L = C24L-C25L = C23L-C24L
 1.53 with sigma of 0.02
 C40L-C39L = C27L-C26L = C25L-C26L = C38L-C39L = C37L-C38L = C24L-C25L = C23L-
 C24L = C36L-C37L = C36L-C35L = C23L-C22L = C21L-C22L = C34L-C35L
 1.54 with sigma of 0.02
 C35G-C36G = C24G-C25G
 1.54 with sigma of 0.02
 C26G-C25G = C27G-C26G
 1.54 with sigma of 0.02
 C37G-C36G
 1.54 with sigma of 0.02
 C25B-C24B = C28B-C24B = C29B-C28B = C30B-C29B = C26B-C25B = C27B-C26B
 1.54 with sigma of 0.02
 C26E-C27E = C28E-C29E = C26E-C25E = C28E-C25E
 1.54 with sigma of 0.02
 C17F-C18F = C30F-C18F = C28F-C29F = C15F-C16F = C30F-C29F = C17F-C16F
 1.54 with sigma of 0.02
 C23F-C31F = C23F-C24F = C32F-C31F = C25F-C24F = C32F-C33F = C25F-C26F = C27F-
 C26F = C34F-C33F
 1.54 with sigma of 0.02
 C16E-C15E
 1.54 with sigma of 0.02
 C32I-C20I = C20I-C19I = C18I-C19I = C31I-C32I = C30I-C31I = C17I-C18I = C30I-
 C29I = C17I-C16I = C16I-C15I = C29I-C28I
 1.54 with sigma of 0.02
 C33I-C23I = C24I-C23I = C25I-C24I = C34I-C33I = C25I-C26I = C34I-C35I = C27I-
 C26I = C35I-C36I
 1.54 with sigma of 0.02
 C26C-C27C = C39C-C40C = C39C-C38C = C26C-C25C = C25C-C24C = C38C-C37C = C36C-
 C37C = C23C-C24C = C36C-C35C = C23C-C22C = C35C-C34C = C22C-C21C = C33C-C34C =
 C20C-C21C = C32C-C33C = C19C-C20C = C32C-C31C = C19C-C18C = C17C-C18C = C30C-
 C31C = C30C-C29C = C17C-C16C = C15C-C16C = C28C-C29C
 1.54 with sigma of 0.02
 C22D-C23D = C22D-C28D = C5FB-C28D = C24D-C23D = C24D-C25D = C5FB-C29D = C30D-
 C29D = C26D-C25D
 1.54 with sigma of 0.02
 C20G-C32G = C20G-C19G = C31G-C32G = C18G-C19G = C18G-C17G = C31G-C30G = C16G-
 C17G = C30G-C29G = C15G-C16G = C29G-C28G
 1.54 with sigma of 0.02
 C14A-C13A = C14A-C15A = C16A-C15A = C16A-C17A = C18A-C17A = C18A-C19A = C20A-
 C19A = C20A-C21A = C29A-C28A = C29A-C30A = C31A-C30A = C32A-C31A = C32A-C33A =
 C35A-C34A = C35A-C36A = C37A-C36A = C22A-C21A = C25A-C22A = C38A-C37A = C38A-
 C39A = C25A-C23A = C39A-C40A = C23A-C24A
 1.54 with sigma of 0.02
 C22H-C21H = C28H-C21H = C23H-C22H = C29H-C28H = C23H-C24H = C29H-C30H = C31H-
 C30H = C25H-C24H = C32H-C31H = C32H-C33H = C26H-C25H = C26H-C27H
 1.54 with sigma of 0.02
 C24K-C23K = C28K-C23K = C24K-C25K = C28K-C29K = C26K-C25K = C30K-C29K = C26K-
 C27K = C30K-C31K
 1.54 with sigma of 0.02
 C16J-C15J = C29J-C28J = C17J-C16J = C30J-C29J = C31J-C30J = C18J-C17J = C32J-
 C31J = C19J-C18J = C33J-C32J = C20J-C19J = C21J-C20J = C34J-C33J = C35J-C34J =
 C22J-C21J = C36J-C35J = C23J-C22J = C37J-C36J = C24J-C23J = C38J-C37J = C25J-
 C24J = C39J-C38J = C46J-C25J = C40J-C39J = C46J-C27J
 1.54 with sigma of 0.02
 C21G-C34G
 2.52 with sigma of 0.04
 C21G-C23G
 2.52 with sigma of 0.04
 C33G-C35G = C22G-C24G
 2.52 with sigma of 0.04
 C37G-C35G
 2.52 with sigma of 0.04
 C40L-C42L = C41L-C43L = C44L-C46L = C27L-C29L = C28L-C30L = C31L-C33L
 2.52 with sigma of 0.04
 C42L-C44L = C43L-C45L = C30L-C32L = C31L-C29L
 2.52 with sigma of 0.04
 C40L-C38L = C39L-C37L = C36L-C34L = C27L-C25L = C26L-C24L = C23L-C21L
 2.52 with sigma of 0.04
 C38L-C36L = C37L-C35L = C22L-C24L = C23L-C25L
 2.52 with sigma of 0.04
 C39L-C41L = C28L-C26L
 2.52 with sigma of 0.04
 C36G-C34G = C25G-C23G
 2.52 with sigma of 0.04
 C24G-C26G = C25G-C27G
 2.52 with sigma of 0.04
 C38G-C36G
 2.52 with sigma of 0.04
 C28B-C30B = C25B-C27B = C24B-C29B
 2.52 with sigma of 0.04
 C24B-C26B = C28B-C23B
 2.52 with sigma of 0.04
 C23B-C25B
 2.52 with sigma of 0.04
 C27E-C25E
 2.52 with sigma of 0.04
 C29E-C25E
 2.52 with sigma of 0.04
 C28E-C24E
 2.52 with sigma of 0.04
 C26E-C24E
 2.52 with sigma of 0.04
 C15F-C17F = C28F-C30F = C29F-C18F
 2.52 with sigma of 0.04
 C16F-C18F = C17F-C19F
 2.52 with sigma of 0.04
 C30F-C19F
 2.52 with sigma of 0.04
 C34F-C32F = C33F-C31F = C27F-C25F = C26F-C24F
 2.52 with sigma of 0.04
 C32F-C23F
 2.52 with sigma of 0.04
 C25F-C23F
 2.52 with sigma of 0.04
 C24F-C22F
 2.52 with sigma of 0.04
 C31F-C22F
 2.52 with sigma of 0.04
 C20I-C18I = C19I-C17I
 2.52 with sigma of 0.04
 C18I-C16I = C17I-C15I = C31I-C29I = C30I-C28I = C32I-C21I
 2.52 with sigma of 0.04
 C20I-C31I
 2.52 with sigma of 0.04
 C23I-C25I = C24I-C26I = C33I-C35I = C34I-C36I
 2.52 with sigma of 0.04
 C25I-C27I = C23I-C34I = C33I-C35I = C24I-C22I
 2.52 with sigma of 0.04
 C33I-C22I
 2.52 with sigma of 0.04
 C27C-C25C = C26C-C24C = C23C-C21C = C22C-C20C = C19C-C17C = C18C-C16C = C40C-
 C38C = C39C-C37C = C36C-C34C = C35C-C33C = C32C-C30C = C31C-C29C
 2.52 with sigma of 0.04
 C25C-C23C = C24C-C22C = C21C-C19C = C20C-C18C = C17C-C15C = C38C-C36C = C37C-
 C35C = C34C-C32C = C33C-C31C = C30C-C28C
 2.52 with sigma of 0.04
 C22D-C5FB = C28D-C29D = C23D-C25D = C24D-C26D
 2.52 with sigma of 0.04
 C22D-C24D = C23D-C25D = C28D-C29D = C5FB-C30D
 2.52 with sigma of 0.04
 C20G-C31G = C32G-C30G = C19G-C17G = C18G-C16G
 2.52 with sigma of 0.04
 C20G-C18G = C19G-C17G = C32G-C30G = C31G-C29G
 2.52 with sigma of 0.04
 C17G-C15G = C28G-C30G
 2.52 with sigma of 0.04
 C28A-C30A = C29A-C31A = C32A-C34A = C33A-C35A = C36A-C38A = C37A-C39A = C13A-
 C15A = C14A-C16A = C17A-C19A = C18A-C20A = C21A-C25A = C22A-C23A
 2.52 with sigma of 0.04
 C30A-C32A = C31A-C33A = C34A-C36A = C35A-C37A = C38A-C40A = C15A-C17A = C16A-
 C18A = C19A-C21A = C20A-C22A = C25A-C24A
 2.52 with sigma of 0.04
 C21H-C23H = C22H-C24H = C25H-C27H = C28H-C30H = C29H-C31H
 2.52 with sigma of 0.04
 C21H-C29H = C28H-C30H = C31H-C33H = C22H-C24H = C23H-C25H
 2.52 with sigma of 0.04
 C26H-C24H = C32H-C30H = C25H-C23H = C29H-C31H
 2.52 with sigma of 0.04
 C22K-C28K = C23K-C29K = C24K-C26K = C25K-C27K
 2.52 with sigma of 0.04
 C22K-C24K = C23K-C25K = C28K-C30K = C29K-C31K
 2.52 with sigma of 0.04
 C17J-C19J = C18J-C20J = C21J-C23J = C22J-C24J = C25J-C27J = C30J-C32J = C31J-
 C33J = C34J-C36J = C35J-C37J = C38J-C40J
 2.52 with sigma of 0.04
3. Restrained planarity
 C9L, C10L, C11L, C12L, C13L, C14L, C27L
 with sigma of 0.1
 C15L, C16L, C17L, C18L, C19L, C20L, C40L
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
C34L \\sim C35L \\sim C36L \\sim C37L \\sim C38L \\sim C39L \\sim C40L \\sim
C41L \\sim C42L \\sim C43L \\sim C44L \\sim C45L \\sim C46L: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C33G \\sim C34G \\sim C35G \\sim C36G \\sim C37G \\sim C38G: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C9L \\sim C10L \\sim C11L \\sim C12L \\sim C13L \\sim C14L: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C22B \\sim C23B \\sim C24B \\sim C25B \\sim C26B \\sim C27B: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C22E \\sim C23E \\sim C24E \\sim C25E \\sim C28E \\sim C29E: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C15F \\sim C16F \\sim C18F \\sim C19F \\sim C20F \\sim C30F: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C22F \\sim C23F \\sim C31F \\sim C32F \\sim C33F \\sim C34F: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
Au1 \\sim C1B \\sim C2B \\sim C26A \\sim C27A: within 2A with sigma of 0.01 and
sigma for terminal atoms of 2.5
Au6 \\sim C1I \\sim C1J \\sim C2I \\sim C2J: within 2A with sigma of 0.01 and
sigma for terminal atoms of 2.5
C28J \\sim C29J \\sim C30J \\sim C31J \\sim C32J \\sim C33J \\sim C34J \\sim
C35J \\sim C36J \\sim C37J \\sim C38J \\sim C39J \\sim C40J: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C20I \\sim C28I \\sim C29I \\sim C30I \\sim C31I \\sim C32I: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C22I \\sim C23I \\sim C24I \\sim C25I \\sim C26I \\sim C27I: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C15C \\sim C16C \\sim C17C \\sim C18C \\sim C19C \\sim C20C \\sim C21C \\sim
C22C \\sim C23C \\sim C24C \\sim C25C \\sim C26C \\sim C27C: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C21D \\sim C22D \\sim C23D \\sim C24D \\sim C25D \\sim C26D \\sim C27D: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C15G \\sim C16G \\sim C17G \\sim C18G \\sim C19G \\sim C20G \\sim C21G: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C13A \\sim C14A \\sim C15A \\sim C16A \\sim C17A \\sim C18A \\sim C19A \\sim
C20A \\sim C21A \\sim C22A \\sim C23A \\sim C24A \\sim C25A: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C21H \\sim C22H \\sim C23H \\sim C24H \\sim C25H \\sim C26H \\sim C27H: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C21K \\sim C22K \\sim C23K \\sim C24K \\sim C25K \\sim C26K \\sim C27K: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C46L) \\sim Ueq, Uanis(C45L) \\sim Ueq, Uanis(C44L) \\sim Ueq,
Uanis(C43L) \\sim Ueq, Uanis(C42L) \\sim Ueq, Uanis(C41L) \\sim Ueq,
Uanis(C40L) \\sim Ueq, Uanis(C39L) \\sim Ueq, Uanis(C38L) \\sim Ueq,
Uanis(C37L) \\sim Ueq, Uanis(C36L) \\sim Ueq, Uanis(C35L) \\sim Ueq,
Uanis(C34L) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C38G) \\sim Ueq, Uanis(C37G) \\sim Ueq, Uanis(C36G) \\sim Ueq,
Uanis(C35G) \\sim Ueq, Uanis(C34G) \\sim Ueq, Uanis(C33G) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C9L) \\sim Ueq, Uanis(C10L) \\sim Ueq, Uanis(C11L) \\sim Ueq, Uanis(C12L)
\\sim Ueq, Uanis(C13L) \\sim Ueq, Uanis(C14L) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C22G) = Uanis(C33G)
Uanis(C23G) = Uanis(C34G)
Uanis(C24G) = Uanis(C35G)
Uanis(C37G) = Uanis(C26G)
Uanis(C38G) = Uanis(C27G)
Uanis(C25B) = Uanis(C28B)
Uanis(C14L) = Uanis(C20L)
Uanis(C13L) = Uanis(C19L)
Uanis(C12L) = Uanis(C18L)
Uanis(C11L) = Uanis(C17L)
Uanis(C10L) = Uanis(C16L)
Uanis(C9L) = Uanis(C15L)
Uanis(C27L) = Uanis(C40L)
Uanis(C28L) = Uanis(C41L)
Uanis(C29L) = Uanis(C42L)
Uanis(C30L) = Uanis(C43L)
Uanis(C31L) = Uanis(C44L)
Uanis(C32L) = Uanis(C45L)
Uanis(C33L) = Uanis(C46L)
Uanis(C26L) = Uanis(C39L)
Uanis(C25L) = Uanis(C38L)
Uanis(C24L) = Uanis(C37L)
Uanis(C23L) = Uanis(C36L)
Uanis(C22L) = Uanis(C35L)
Uanis(C21L) = Uanis(C34L)
Uanis(C36G) = Uanis(C25G)
Uanis(C26B) = Uanis(C29B)
Uanis(C27B) = Uanis(C30B)
Uanis(C26E) = Uanis(C28E)
Uanis(C27E) = Uanis(C29E)
Uanis(C17F) = Uanis(C30F)
Uanis(C16F) = Uanis(C29F)
Uanis(C15F) = Uanis(C28F)
Uanis(C25F) = Uanis(C32F)
Uanis(C26F) = Uanis(C33F)
Uanis(C27F) = Uanis(C34F)
Uanis(C24F) = Uanis(C31F)
Uanis(C21J) = Uanis(C34J)
Uanis(C20J) = Uanis(C33J)
Uanis(C19J) = Uanis(C32J)
Uanis(C18J) = Uanis(C31J)
Uanis(C22J) = Uanis(C35J)
Uanis(C24J) = Uanis(C37J)
Uanis(C25J) = Uanis(C38J)
Uanis(C27J) = Uanis(C40J)
Uanis(C17J) = Uanis(C30J)
Uanis(C16J) = Uanis(C29J)
Uanis(C28J) = Uanis(C15J)
Uanis(C23J) = Uanis(C36J)
Uanis(C19I) = Uanis(C32I)
Uanis(C18I) = Uanis(C31I)
Uanis(C17I) = Uanis(C30I)
Uanis(C16I) = Uanis(C29I)
Uanis(C15I) = Uanis(C28I)
Uanis(C24I) = Uanis(C33I)
Uanis(C25I) = Uanis(C34I)
Uanis(C26I) = Uanis(C35I)
Uanis(C27I) = Uanis(C36I)
Uanis(C15C) = Uanis(C28C)
Uanis(C16C) = Uanis(C29C)
Uanis(C17C) = Uanis(C30C)
Uanis(C18C) = Uanis(C31C)
Uanis(C19C) = Uanis(C32C)
Uanis(C20C) = Uanis(C33C)
Uanis(C21C) = Uanis(C34C)
Uanis(C22C) = Uanis(C35C)
Uanis(C23C) = Uanis(C36C)
Uanis(C24C) = Uanis(C37C)
Uanis(C25C) = Uanis(C38C)
Uanis(C26C) = Uanis(C39C)
Uanis(C27C) = Uanis(C40C)
Uanis(C23D) = Uanis(C28D)
Uanis(C24D) = Uanis(C5FB)
Uanis(C25D) = Uanis(C29D)
Uanis(C26D) = Uanis(C30D)
Uanis(C19G) = Uanis(C32G)
Uanis(C18G) = Uanis(C31G)
Uanis(C17G) = Uanis(C30G)
Uanis(C16G) = Uanis(C29G)
Uanis(C15G) = Uanis(C28G)
Uanis(C13A) = Uanis(C28A)
Uanis(C14A) = Uanis(C29A)
Uanis(C15A) = Uanis(C30A)
Uanis(C16A) = Uanis(C31A)
Uanis(C17A) = Uanis(C32A)
Uanis(C18A) = Uanis(C33A)
Uanis(C19A) = Uanis(C34A)
Uanis(C20A) = Uanis(C35A)
Uanis(C21A) = Uanis(C36A)
Uanis(C22A) = Uanis(C37A)
Uanis(C25A) = Uanis(C38A)
Uanis(C23A) = Uanis(C39A)
Uanis(C24A) = Uanis(C40A)
Uanis(C22H) = Uanis(C28H)
Uanis(C23H) = Uanis(C29H)
Uanis(C24H) = Uanis(C30H)
Uanis(C25H) = Uanis(C31H)
Uanis(C26H) = Uanis(C32H)
Uanis(C27H) = Uanis(C33H)
Uanis(C24K) = Uanis(C28K)
Uanis(C25K) = Uanis(C29K)
Uanis(C26K) = Uanis(C30K)
Uanis(C27K) = Uanis(C31K)
Uanis(C46J) = Uanis(C39J)
5. Others
 Sof(C33G)=Sof(H33G)=Sof(H33H)=Sof(C34G)=Sof(H34D)=Sof(H34E)=Sof(C35G)=
 Sof(H35E)=Sof(H35F)=Sof(C36G)=Sof(H36E)=Sof(H36F)=Sof(C37G)=Sof(H37E)=
 Sof(H37F)=Sof(C38G)=Sof(H38E)=Sof(H38F)=Sof(H38G)=1-FVAR(1)
 Sof(C22G)=Sof(H22O)=Sof(H22P)=Sof(C23G)=Sof(H23O)=Sof(H23P)=Sof(C24G)=
 Sof(H24P)=Sof(H24Q)=Sof(C25G)=Sof(H25O)=Sof(H25P)=Sof(C26G)=Sof(H26L)=
 Sof(H26M)=Sof(C27G)=Sof(H27M)=Sof(H27N)=Sof(H27O)=FVAR(1)
 Sof(H24F)=Sof(H24G)=Sof(C28B)=Sof(H28D)=Sof(H28E)=Sof(C29B)=Sof(H29C)=
 Sof(H29D)=1-FVAR(2)
 Sof(H24D)=Sof(H24E)=Sof(C25B)=Sof(H25C)=Sof(H25D)=Sof(C26B)=Sof(H26A)=
 Sof(H26B)=FVAR(2)
 Sof(C15L)=Sof(C20L)=Sof(C19L)=Sof(H19L)=Sof(C18L)=Sof(H18L)=Sof(C17L)=
 Sof(H17L)=Sof(C16L)=Sof(H16L)=Sof(C34L)=Sof(H34H)=Sof(H34I)=Sof(H34J)=
 Sof(C35L)=Sof(H35K)=Sof(H35L)=Sof(C36L)=Sof(H36L)=Sof(H36M)=Sof(C37L)=
 Sof(H37I)=Sof(H37J)=Sof(C38L)=Sof(H38J)=Sof(H38K)=Sof(C39L)=Sof(H39G)=
 Sof(H39H)=Sof(C40L)=Sof(C41L)=Sof(H41A)=Sof(H41B)=Sof(C42L)=Sof(H42A)=
 Sof(H42B)=Sof(C43L)=Sof(H43A)=Sof(H43B)=Sof(C44L)=Sof(H44A)=Sof(H44B)=
 Sof(C45L)=Sof(H45A)=Sof(H45B)=Sof(C46L)=Sof(H46C)=Sof(H46D)=Sof(H46E)=1-FVAR(3)
 Sof(C9L)=Sof(C14L)=Sof(C13L)=Sof(H13L)=Sof(C12L)=Sof(H12L)=Sof(C11L)=
 Sof(H11L)=Sof(C10L)=Sof(H10L)=Sof(C21L)=Sof(H21G)=Sof(H21H)=Sof(H21I)=
 Sof(C22L)=Sof(H22Y)=Sof(HD)=Sof(C23L)=Sof(H23Z)=Sof(HH)=Sof(C24L)=Sof(H24Z)=
 Sof(HI)=Sof(C25L)=Sof(H25Y)=Sof(HJ)=Sof(C26L)=Sof(H26T)=Sof(H26U)=Sof(C27L)=
 Sof(C28L)=Sof(H28)=Sof(HO)=Sof(C29L)=Sof(H29X)=Sof(H29Y)=Sof(C30L)=Sof(H30W)=
 Sof(H30X)=Sof(C31L)=Sof(H31R)=Sof(H31S)=Sof(C32L)=Sof(H32O)=Sof(H32P)=
 Sof(C33L)=Sof(H33P)=Sof(H33Q)=Sof(H33R)=FVAR(3)
 Sof(C30B)=Sof(H30C)=Sof(H30D)=Sof(H30E)=1-FVAR(4)
 Sof(C27B)=Sof(H27A)=Sof(H27B)=Sof(H27C)=FVAR(4)
 Sof(H25K)=Sof(H25L)=Sof(C28E)=Sof(H28K)=Sof(H28L)=Sof(C29E)=Sof(H29I)=
 Sof(H29J)=Sof(H29K)=1-FVAR(5)
 Sof(H25I)=Sof(H25J)=Sof(C26E)=Sof(H26H)=Sof(H26I)=Sof(C27E)=Sof(H27G)=
 Sof(H27H)=Sof(H27I)=FVAR(5)
 Sof(H18N)=Sof(H18O)=Sof(C28F)=Sof(H28M)=Sof(H28N)=Sof(H28O)=Sof(C29F)=
 Sof(H29L)=Sof(H29M)=Sof(C30F)=Sof(H30K)=Sof(H30L)=1-FVAR(6)
 Sof(C15F)=Sof(H15L)=Sof(H15M)=Sof(H15N)=Sof(C16F)=Sof(H16M)=Sof(H16N)=
 Sof(C17F)=Sof(H17K)=Sof(H17M)=Sof(H18K)=Sof(H18M)=FVAR(6)
 Sof(H23M)=Sof(H23N)=Sof(C31F)=Sof(H31E)=Sof(H31F)=Sof(C32F)=Sof(H32E)=
 Sof(H32F)=Sof(C33F)=Sof(H33E)=Sof(H33F)=Sof(C34F)=Sof(H34A)=Sof(H34B)=
 Sof(H34C)=1-FVAR(7)
 Sof(H23K)=Sof(H23L)=Sof(C24F)=Sof(H24N)=Sof(H24O)=Sof(C25F)=Sof(H25M)=
 Sof(H25N)=Sof(C26F)=Sof(H26J)=Sof(H26K)=Sof(C27F)=Sof(H27J)=Sof(H27K)=
 Sof(H27L)=FVAR(7)
 Sof(C28J)=Sof(H28X)=Sof(H28Y)=Sof(HM)=Sof(C29J)=Sof(H29T)=Sof(H29U)=Sof(C30J)=
 Sof(H30S)=Sof(H30T)=Sof(C31J)=Sof(H31M)=Sof(H31N)=Sof(C32J)=Sof(H32M)=
 Sof(H32N)=Sof(C33J)=Sof(H33N)=Sof(H33O)=Sof(C34J)=Sof(C35J)=Sof(H35I)=
 Sof(H35J)=Sof(C36J)=Sof(H36J)=Sof(H36K)=Sof(C37J)=Sof(H37G)=Sof(H37H)=
 Sof(C38J)=Sof(H38H)=Sof(H38I)=Sof(C39J)=Sof(H39E)=Sof(H39F)=Sof(C40J)=
 Sof(H40G)=Sof(H40H)=Sof(H40I)=1-FVAR(8)
 Sof(C15J)=Sof(H15X)=Sof(H15Y)=Sof(H)=Sof(C16J)=Sof(H16U)=Sof(H16V)=Sof(C17J)=
 Sof(H17T)=Sof(H17U)=Sof(C18J)=Sof(H18V)=Sof(H18W)=Sof(C19J)=Sof(H19R)=
 Sof(H19S)=Sof(C20J)=Sof(H20W)=Sof(H20X)=Sof(C21J)=Sof(C22J)=Sof(H22U)=
 Sof(H22V)=Sof(C23J)=Sof(H23W)=Sof(H23X)=Sof(C24J)=Sof(H24V)=Sof(H24W)=
 Sof(C25J)=Sof(H25U)=Sof(H25V)=Sof(C46J)=Sof(H46A)=Sof(H46B)=Sof(C27J)=
 Sof(H27V)=Sof(H27W)=Sof(H27X)=FVAR(8)
 Sof(H20U)=Sof(H20V)=Sof(C28I)=Sof(H28U)=Sof(H28V)=Sof(H28W)=Sof(C29I)=
 Sof(H29R)=Sof(H29S)=Sof(C30I)=Sof(H30Q)=Sof(H30R)=Sof(C31I)=Sof(H31K)=
 Sof(H31L)=Sof(C32I)=Sof(H32K)=Sof(H32L)=1-FVAR(9)
 Sof(C15I)=Sof(H15U)=Sof(H15V)=Sof(H15W)=Sof(C16I)=Sof(H16S)=Sof(H16T)=
 Sof(C17I)=Sof(H17R)=Sof(H17S)=Sof(C18I)=Sof(H18T)=Sof(H18U)=Sof(C19I)=
 Sof(H19P)=Sof(H19Q)=Sof(H20S)=Sof(H20T)=FVAR(9)
 Sof(H23U)=Sof(H23V)=Sof(C33I)=Sof(H33L)=Sof(H33M)=Sof(C34I)=Sof(H34F)=
 Sof(H34G)=Sof(C35I)=Sof(H35G)=Sof(H35H)=Sof(C36I)=Sof(H36G)=Sof(H36H)=
 Sof(H36I)=1-FVAR(10)
 Sof(H23S)=Sof(H23T)=Sof(C24I)=Sof(H24T)=Sof(H24U)=Sof(C25I)=Sof(H25S)=
 Sof(H25T)=Sof(C26I)=Sof(H26P)=Sof(H26Q)=Sof(C27I)=Sof(H27S)=Sof(H27T)=
 Sof(H27U)=FVAR(10)
 Sof(C28C)=Sof(H28F)=Sof(H28G)=Sof(H28H)=Sof(C29C)=Sof(H29E)=Sof(H29F)=
 Sof(C30C)=Sof(H30F)=Sof(H30G)=Sof(C31C)=Sof(H31C)=Sof(H31D)=Sof(C32C)=
 Sof(H32C)=Sof(H32D)=Sof(C33C)=Sof(H33C)=Sof(H33D)=Sof(C34C)=Sof(C35C)=
 Sof(H35C)=Sof(H35D)=Sof(C36C)=Sof(H36C)=Sof(H36D)=Sof(C37C)=Sof(H37C)=
 Sof(H37D)=Sof(C38C)=Sof(H38C)=Sof(H38D)=Sof(C39C)=Sof(H39C)=Sof(H39D)=
 Sof(C40C)=Sof(H40D)=Sof(H40E)=Sof(H40F)=1-FVAR(11)
 Sof(C15C)=Sof(H15C)=Sof(H15D)=Sof(H15E)=Sof(C16C)=Sof(H16F)=Sof(H16G)=
 Sof(C17C)=Sof(H17E)=Sof(H17F)=Sof(C18C)=Sof(H18E)=Sof(H18F)=Sof(C19C)=
 Sof(H19C)=Sof(H19D)=Sof(C20C)=Sof(H20E)=Sof(H20F)=Sof(C21C)=Sof(C22C)=
 Sof(H22E)=Sof(H22F)=Sof(C23C)=Sof(H23E)=Sof(H23F)=Sof(C24C)=Sof(H24H)=
 Sof(H24I)=Sof(C25C)=Sof(H25E)=Sof(H25F)=Sof(C26C)=Sof(H26C)=Sof(H26D)=
 Sof(C27C)=Sof(H27D)=Sof(H27E)=Sof(H27F)=FVAR(11)
 Sof(C5FB)=Sof(H5FA)=Sof(H5FB)=Sof(H22I)=Sof(H22J)=Sof(C28D)=Sof(H28I)=
 Sof(H28J)=Sof(C29D)=Sof(H29G)=Sof(H29H)=Sof(C30D)=Sof(H30H)=Sof(H30I)=
 Sof(H30J)=1-FVAR(12)
 Sof(H22G)=Sof(H22H)=Sof(C23D)=Sof(H23G)=Sof(H23H)=Sof(C24D)=Sof(H24J)=
 Sof(H24K)=Sof(C25D)=Sof(H25G)=Sof(H25H)=Sof(C26D)=Sof(H26E)=Sof(H26F)=
 Sof(H26G)=FVAR(12)
 Sof(H20O)=Sof(H20P)=Sof(C28G)=Sof(H28P)=Sof(H28Q)=Sof(H28R)=Sof(C29G)=
 Sof(H29N)=Sof(H29O)=Sof(C30G)=Sof(H30M)=Sof(H30N)=Sof(C31G)=Sof(H31G)=
 Sof(H31H)=Sof(C32G)=Sof(H32G)=Sof(H32H)=1-FVAR(13)
 Sof(C15G)=Sof(H15O)=Sof(H15P)=Sof(H15Q)=Sof(C16G)=Sof(H16O)=Sof(H16P)=
 Sof(C17G)=Sof(H17N)=Sof(H17O)=Sof(C18G)=Sof(H18P)=Sof(H18Q)=Sof(C19G)=
 Sof(H19K)=Sof(H19M)=Sof(H20M)=Sof(H20N)=FVAR(13)
 Sof(C28A)=Sof(H28A)=Sof(H28B)=Sof(H28C)=Sof(C29A)=Sof(H29A)=Sof(H29B)=
 Sof(C30A)=Sof(H30A)=Sof(H30B)=Sof(C31A)=Sof(H31A)=Sof(H31B)=Sof(C32A)=
 Sof(H32A)=Sof(H32B)=Sof(C33A)=Sof(H33A)=Sof(H33B)=Sof(C34A)=Sof(C35A)=
 Sof(H35A)=Sof(H35B)=Sof(C36A)=Sof(H36A)=Sof(H36B)=Sof(C37A)=Sof(H37A)=
 Sof(H37B)=Sof(C38A)=Sof(H38A)=Sof(H38B)=Sof(C39A)=Sof(H39A)=Sof(H39B)=
 Sof(C40A)=Sof(H40A)=Sof(H40B)=Sof(H40C)=1-FVAR(14)
 Sof(C13A)=Sof(H13A)=Sof(H13B)=Sof(H13C)=Sof(C14A)=Sof(H14A)=Sof(H14B)=
 Sof(C15A)=Sof(H15A)=Sof(H15B)=Sof(C16A)=Sof(H16A)=Sof(H16B)=Sof(C17A)=
 Sof(H17A)=Sof(H17B)=Sof(C18A)=Sof(H18A)=Sof(H18B)=Sof(C19A)=Sof(C20A)=
 Sof(H20A)=Sof(H20B)=Sof(C21A)=Sof(H21A)=Sof(H21B)=Sof(C22A)=Sof(H22A)=
 Sof(H22B)=Sof(C23A)=Sof(H23A)=Sof(H23B)=Sof(C24A)=Sof(H24A)=Sof(H24B)=
 Sof(H24C)=Sof(C25A)=Sof(H25A)=Sof(H25B)=FVAR(14)
 Sof(C28H)=Sof(H28S)=Sof(H28T)=Sof(C29H)=Sof(H29P)=Sof(H29Q)=Sof(C30H)=
 Sof(H30O)=Sof(H30P)=Sof(C31H)=Sof(H31I)=Sof(H31J)=Sof(C32H)=Sof(H32I)=
 Sof(H32J)=Sof(C33H)=Sof(H33I)=Sof(H33J)=Sof(H33K)=1-FVAR(15)
 Sof(C22H)=Sof(H22Q)=Sof(H22R)=Sof(C23H)=Sof(H23Q)=Sof(H23R)=Sof(C24H)=
 Sof(H24R)=Sof(H24S)=Sof(C25H)=Sof(H25Q)=Sof(H25R)=Sof(C26H)=Sof(H26N)=
 Sof(H26O)=Sof(C27H)=Sof(H27P)=Sof(H27Q)=Sof(H27R)=FVAR(15)
 Sof(HF)=Sof(HG)=Sof(C28K)=Sof(H28Z)=Sof(HN)=Sof(C29K)=Sof(H29V)=Sof(H29W)=
 Sof(C30K)=Sof(H30U)=Sof(H30V)=Sof(C31K)=Sof(H31O)=Sof(H31P)=Sof(H31Q)=1-
 FVAR(16)
 Sof(H23Y)=Sof(HE)=Sof(C24K)=Sof(H24X)=Sof(H24Y)=Sof(C25K)=Sof(H25W)=Sof(H25X)=
 Sof(C26K)=Sof(H26R)=Sof(H26S)=Sof(C27K)=Sof(H27Y)=Sof(HK)=Sof(HL)=FVAR(16)
6.a Secondary CH2 refined with riding coordinates:
 C5FB(H5FA,H5FB), C14A(H14A,H14B), C15A(H15A,H15B), C16A(H16A,H16B), C16C(H16F,
 H16G), C16D(H16H,H16I), C16E(H16J,H16K), C16F(H16M,H16N), C16G(H16O,H16P),
 C16H(H16Q,H16R), C16I(H16S,H16T), C16J(H16U,H16V), C16K(H16W,H16X), C17A(H17A,
 H17B), C17B(H17C,H17D), C17C(H17E,H17F), C17D(H17G,H17H), C17E(H17I,H17J),
 C17F(H17K,H17M), C17G(H17N,H17O), C17H(H17P,H17Q), C17I(H17R,H17S), C17J(H17T,
 H17U), C17K(H17V,H17W), C18A(H18A,H18B), C18B(H18C,H18D), C18C(H18E,H18F),
 C18D(H18G,H18H), C18E(H18I,H18J), C18F(H18K,H18M), C18F(H18N,H18O), C18G(H18P,
 H18Q), C18H(H18R,H18S), C18I(H18T,H18U), C18J(H18V,H18W), C18K(H18X,H18Y),
 C19B(H19A,H19B), C19C(H19C,H19D), C19D(H19E,H19F), C19E(H19G,H19H), C19F(H19I,
 H19J), C19G(H19K,H19M), C19H(H19N,H19O), C19I(H19P,H19Q), C19J(H19R,H19S),
 C19K(H19T,H19U), C20A(H20A,H20B), C20B(H20C,H20D), C20C(H20E,H20F), C20D(H20G,
 H20H), C20E(H20I,H20J), C20F(H20K,H20L), C20G(H20M,H20N), C20G(H20O,H20P),
 C20H(H20Q,H20R), C20I(H20S,H20T), C20I(H20U,H20V), C20J(H20W,H20X), C20K(H20Y,
 HC), C21A(H21A,H21B), C21B(H21C,H21D), C21D(H21E,H21F), C22A(H22A,H22B),
 C22B(H22C,H22D), C22C(H22E,H22F), C22D(H22G,H22H), C22D(H22I,H22J), C22E(H22K,
 H22L), C22F(H22M,H22N), C22G(H22O,H22P), C22H(H22Q,H22R), C22I(H22S,H22T),
 C22J(H22U,H22V), C22K(H22W,H22X), C22L(H22Y,HD), C23A(H23A,H23B), C23B(H23C,
 H23D), C23C(H23E,H23F), C23D(H23G,H23H), C23E(H23I,H23J), C23F(H23K,H23L),
 C23F(H23M,H23N), C23G(H23O,H23P), C23H(H23Q,H23R), C23I(H23S,H23T), C23I(H23U,
 H23V), C23J(H23W,H23X), C23K(H23Y,HE), C23K(HF,HG), C23L(H23Z,HH), C24B(H24D,
 H24E), C24B(H24F,H24G), C24C(H24H,H24I), C24D(H24J,H24K), C24E(H24L,H24M),
 C24F(H24N,H24O), C24G(H24P,H24Q), C24H(H24R,H24S), C24I(H24T,H24U), C24J(H24V,
 H24W), C24K(H24X,H24Y), C24L(H24Z,HI), C25A(H25A,H25B), C25B(H25C,H25D),
 C25C(H25E,H25F), C25D(H25G,H25H), C25E(H25I,H25J), C25E(H25K,H25L), C25F(H25M,
 H25N), C25G(H25O,H25P), C25H(H25Q,H25R), C25I(H25S,H25T), C25J(H25U,H25V),
 C25K(H25W,H25X), C25L(H25Y,HJ), C26B(H26A,H26B), C26C(H26C,H26D), C26E(H26H,
 H26I), C26F(H26J,H26K), C26G(H26L,H26M), C26H(H26N,H26O), C26I(H26P,H26Q),
 C46J(H46A,H46B), C26K(H26R,H26S), C26L(H26T,H26U), C28B(H28D,H28E), C28D(H28I,
 H28J), C28E(H28K,H28L), C28H(H28S,H28T), C28K(H28Z,HN), C28L(H28,HO),
 C29A(H29A,H29B), C29B(H29C,H29D), C29C(H29E,H29F), C29D(H29G,H29H), C29F(H29L,
 H29M), C29G(H29N,H29O), C29H(H29P,H29Q), C29I(H29R,H29S), C29J(H29T,H29U),
 C29K(H29V,H29W), C29L(H29X,H29Y), C30A(H30A,H30B), C30C(H30F,H30G), C30F(H30K,
 H30L), C30G(H30M,H30N), C30H(H30O,H30P), C30I(H30Q,H30R), C30J(H30S,H30T),
 C30K(H30U,H30V), C30L(H30W,H30X), C31A(H31A,H31B), C31C(H31C,H31D), C31F(H31E,
 H31F), C31G(H31G,H31H), C31H(H31I,H31J), C31I(H31K,H31L), C31J(H31M,H31N),
 C31L(H31R,H31S), C32A(H32A,H32B), C32C(H32C,H32D), C32F(H32E,H32F), C32G(H32G,
 H32H), C32H(H32I,H32J), C32I(H32K,H32L), C32J(H32M,H32N), C32L(H32O,H32P),
 C33A(H33A,H33B), C33C(H33C,H33D), C33F(H33E,H33F), C33G(H33G,H33H), C33I(H33L,
 H33M), C33J(H33N,H33O), C34G(H34D,H34E), C34I(H34F,H34G), C35A(H35A,H35B),
 C35C(H35C,H35D), C35G(H35E,H35F), C35I(H35G,H35H), C35J(H35I,H35J), C35L(H35K,
 H35L), C36A(H36A,H36B), C36C(H36C,H36D), C36G(H36E,H36F), C36J(H36J,H36K),
 C36L(H36L,H36M), C37A(H37A,H37B), C37C(H37C,H37D), C37G(H37E,H37F), C37J(H37G,
 H37H), C37L(H37I,H37J), C38A(H38A,H38B), C38C(H38C,H38D), C38J(H38H,H38I),
 C38L(H38J,H38K), C39A(H39A,H39B), C39C(H39C,H39D), C39J(H39E,H39F), C39L(H39G,
 H39H), C41L(H41A,H41B), C42L(H42A,H42B), C43L(H43A,H43B), C44L(H44A,H44B),
 C45L(H45A,H45B)
6.b Aromatic/amide H refined with riding coordinates:
 C2A(H2A), C3A(H3A), C4A(H4A), C4B(H4B), C4C(H4C), C4D(H4D), C4E(H4E),
 C4F(H4F), C4G(H4G), C4H(H4H), C4I(H4I), C4J(H4J), C4K(H4K), C4L(H4L), C5A(H5A),
  C5H(H5H), C6B(H6B), C6C(H6C), C6D(H6D), C6E(H6E), C6F(H6F), C6G(H6G),
 C6I(H6I), C6J(H6J), C6K(H6K), C6L(H6L), C7B(H7B), C7C(H7C), C7D(H7D), C7E(H7E),
  C7F(H7F), C7G(H7G), C7I(H7I), C7J(H7J), C7K(H7K), C7L(H7L), C8A(H8A),
 C8H(H8H), C9A(H9A), C13L(H13L), C12L(H12L), C11L(H11L), C10L(H10L), C10B(H10B),
  C10C(H10C), C10D(H10D), C10E(H10E), C10F(H10F), C10G(H10G), C10H(H10H),
 C10I(H10I), C10J(H10J), C10K(H10K), C11A(H11A), C11B(H11B), C11C(H11C),
 C11D(H11D), C11E(H11E), C11F(H11F), C11G(H11G), C11H(H11H), C11I(H11I),
 C11J(H11J), C11K(H11K), C12B(H12B), C12C(H12C), C12D(H12D), C12E(H12E),
 C12F(H12F), C12G(H12G), C12H(H12H), C12I(H12I), C12J(H12J), C12K(H12K),
 C13B(H13D), C13C(H13E), C13D(H13F), C13E(H13G), C13F(H13H), C13G(H13I),
 C13H(H13J), C13I(H13K), C13J(H13M), C13K(H13N), C19L(H19L), C18L(H18L),
 C17L(H17L), C16L(H16L)
6.c Fitted hexagon refined as free rotating group:
 C9L(C14L,C13L,C12L,C11L,C10L), C15L(C20L,C19L,C18L,C17L,C16L)
6.d Idealised Me refined as rotating group:
 C13A(H13A,H13B,H13C), C15C(H15C,H15D,H15E), C15D(H15F,H15G,H15H), C15E(H15I,
 H15J,H15K), C15F(H15L,H15M,H15N), C15G(H15O,H15P,H15Q), C15H(H15R,H15S,H15T),
 C15I(H15U,H15V,H15W), C15J(H15X,H15Y,H), C15K(H15Z,HA,HB), C16B(H16C,H16D,
 H16E), C21L(H21G,H21H,H21I), C24A(H24A,H24B,H24C), C26D(H26E,H26F,H26G),
 C27B(H27A,H27B,H27C), C27C(H27D,H27E,H27F), C27E(H27G,H27H,H27I), C27F(H27J,
 H27K,H27L), C27G(H27M,H27N,H27O), C27H(H27P,H27Q,H27R), C27I(H27S,H27T,H27U),
 C27J(H27V,H27W,H27X), C27K(H27Y,HK,HL), C28A(H28A,H28B,H28C), C28C(H28F,H28G,
 H28H), C28F(H28M,H28N,H28O), C28G(H28P,H28Q,H28R), C28I(H28U,H28V,H28W),
 C28J(H28X,H28Y,HM), C29E(H29I,H29J,H29K), C30B(H30C,H30D,H30E), C30D(H30H,H30I,
 H30J), C31K(H31O,H31P,H31Q), C33H(H33I,H33J,H33K), C33L(H33P,H33Q,H33R),
 C34F(H34A,H34B,H34C), C34L(H34H,H34I,H34J), C36I(H36G,H36H,H36I), C38G(H38E,
 H38F,H38G), C40A(H40A,H40B,H40C), C40C(H40D,H40E,H40F), C40J(H40G,H40H,H40I),
 C46L(H46C,H46D,H46E)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.63229(2) 0.82674(2) 0.49003(2) 0.07201(11) Uani 1 1 d . U . . .
Au2 Au 0.61722(2) 0.66206(2) 0.48166(2) 0.06045(10) Uani 1 1 d . . . . .
Au3 Au 0.60400(2) 0.53563(2) 0.43132(2) 0.08028(13) Uani 1 1 d . . . . .
Au4 Au 0.59431(2) 0.66807(2) 0.56917(2) 0.07472(12) Uani 1 1 d . . . . .
Au5 Au 0.62528(2) 0.59145(2) 0.55843(2) 0.06418(11) Uani 1 1 d . . . . .
Au6 Au 0.65752(2) 0.46114(2) 0.59104(2) 0.08538(15) Uani 1 1 d . U . . .
Ag1 Ag 0.61697(2) 0.71483(4) 0.42867(2) 0.0913(2) Uani 1 1 d . . . . .
Ag2 Ag 0.64044(2) 0.73125(3) 0.54670(2) 0.06730(19) Uani 1 1 d . . . . .
Ag3 Ag 0.60255(2) 0.52656(4) 0.48841(2) 0.0798(2) Uani 1 1 d . . . . .
Ag4 Ag 0.62790(2) 0.53401(4) 0.61300(2) 0.0769(2) Uani 1 1 d . . . . .
Ag5 Ag 0.59166(2) 0.68318(4) 0.50661(2) 0.0699(2) Uani 1 1 d . . . . .
Ag6 Ag 0.65098(2) 0.56012(4) 0.53800(2) 0.0863(2) Uani 1 1 d . . . . .
C1A C 0.65513(10) 0.9463(5) 0.34580(14) 0.084(3) Uani 1 1 d . . . . .
C1B C 0.63563(9) 0.8454(4) 0.53105(14) 0.0695(19) Uani 1 1 d . U . . .
C1C C 0.60408(11) 0.6084(5) 0.40319(14) 0.078(3) Uani 1 1 d . . . . .
C1D C 0.60388(11) 0.4518(4) 0.45529(16) 0.073(3) Uani 1 1 d . . . . .
C1E C 0.65167(11) 0.6474(4) 0.58711(16) 0.066(3) Uani 1 1 d . . . . .
C1F C 0.59814(9) 0.5373(4) 0.52777(16) 0.062(2) Uani 1 1 d . . . . .
C1G C 0.60252(12) 0.6013(5) 0.60482(17) 0.085(3) Uani 1 1 d . . . . .
C1H C 0.58395(10) 0.7462(5) 0.53614(14) 0.076(3) Uani 1 1 d . . . . .
C1I C 0.65443(12) 0.4587(4) 0.6259(2) 0.090(3) Uani 1 1 d . U . . .
C1J C 0.66290(11) 0.4496(4) 0.55735(18) 0.078(3) Uani 1 1 d . U . . .
C1K C 0.64907(9) 0.6553(4) 0.50756(16) 0.069(2) Uani 1 1 d . . . . .
C1L C 0.58571(9) 0.6694(4) 0.45762(15) 0.065(2) Uani 1 1 d . . . . .
C2A C 0.66428(12) 0.9729(5) 0.33212(16) 0.093(3) Uani 1 1 d . . . . .
H2A H 0.6789 0.9846 0.3459 0.112 Uiso 1 1 calc R . . . .
C2B C 0.63717(8) 0.8627(4) 0.55555(14) 0.0673(19) Uani 1 1 d . U . . .
C2C C 0.60239(12) 0.6397(6) 0.38196(16) 0.092(3) Uani 1 1 d . . . . .
C2D C 0.60299(11) 0.4000(5) 0.46944(18) 0.083(3) Uani 1 1 d . . . . .
C2E C 0.66831(10) 0.6815(4) 0.60466(16) 0.066(3) Uani 1 1 d . . . . .
C2F C 0.58018(8) 0.5150(4) 0.50782(15) 0.062(2) Uani 1 1 d . . . . .
C2G C 0.60556(10) 0.5690(4) 0.62794(17) 0.072(3) Uani 1 1 d . . . . .
C2H C 0.57871(9) 0.7971(4) 0.51734(15) 0.070(2) Uani 1 1 d . . . . .
C2I C 0.65475(12) 0.4508(4) 0.6498(2) 0.085(3) Uani 1 1 d . U . . .
C2J C 0.66642(12) 0.4433(4) 0.53741(19) 0.084(3) Uani 1 1 d . U . . .
C2K C 0.66812(8) 0.6564(5) 0.52655(15) 0.070(3) Uani 1 1 d . . . . .
C2L C 0.56727(8) 0.6700(4) 0.44399(13) 0.054(2) Uani 1 1 d . . . . .
C3A C 0.65171(13) 0.9823(6) 0.29796(19) 0.107(4) Uani 1 1 d . . . . .
H3A H 0.6580 0.9998 0.2885 0.128 Uiso 1 1 calc R . . . .
C3B C 0.63396(8) 0.8710(4) 0.62548(13) 0.0477(19) Uani 1 1 d . . . . .
C3C C 0.57706(10) 0.6925(6) 0.29464(17) 0.087(3) Uani 1 1 d . . . . .
C3D C 0.60891(10) 0.2731(4) 0.53003(18) 0.074(3) Uani 1 1 d . . . . .
C3E C 0.71051(10) 0.8172(4) 0.65422(19) 0.076(3) Uani 1 1 d . . . . .
C3F C 0.53212(10) 0.4151(5) 0.44025(18) 0.079(3) Uani 1 1 d . . . . .
C3G C 0.61540(11) 0.5797(5) 0.7089(2) 0.090(3) Uani 1 1 d . . . . .
C3H C 0.57063(11) 0.8583(4) 0.49578(16) 0.074(3) Uani 1 1 d . . . . .
C3I C 0.65462(11) 0.3204(4) 0.70361(18) 0.074(3) Uani 1 1 d . . . . .
C3J C 0.66873(13) 0.4503(8) 0.4664(3) 0.144(5) Uani 1 1 d . . . . .
C3K C 0.72503(9) 0.6088(5) 0.58266(18) 0.075(3) Uani 1 1 d . . . . .
C3L C 0.51255(8) 0.7080(5) 0.41372(15) 0.083(3) Uani 1 1 d D . . . .
C4A C 0.63075(12) 0.9671(6) 0.27769(17) 0.114(4) Uani 1 1 d . . . . .
H4A H 0.6226 0.9746 0.2544 0.136 Uiso 1 1 calc R . . . .
C4B C 0.63176(8) 0.8471(4) 0.59786(13) 0.055(2) Uani 1 1 d . . . . .
H4B H 0.6256 0.8019 0.5886 0.066 Uiso 1 1 calc R . . . .
C4C C 0.58004(11) 0.6687(6) 0.32291(17) 0.101(4) Uani 1 1 d . . . . .
H4C H 0.5682 0.6533 0.3215 0.121 Uiso 1 1 calc R . . . .
C4D C 0.61165(10) 0.3314(5) 0.51703(19) 0.081(3) Uani 1 1 d . . . . .
H4D H 0.6209 0.3683 0.5316 0.098 Uiso 1 1 calc R . . . .
C4E C 0.69081(10) 0.7860(4) 0.63413(18) 0.073(3) Uani 1 1 d . . . . .
H4E H 0.6784 0.8135 0.6249 0.088 Uiso 1 1 calc R . . . .
C4F C 0.55345(9) 0.4318(5) 0.46509(16) 0.078(3) Uani 1 1 d . . . . .
H4F H 0.5643 0.4020 0.4690 0.094 Uiso 1 1 calc R . . . .
C4G C 0.61391(11) 0.5975(5) 0.68181(19) 0.098(3) Uani 1 1 d . . . . .
H4G H 0.6167 0.6448 0.6792 0.118 Uiso 1 1 calc R . . . .
C4H C 0.55422(13) 0.8961(5) 0.49150(18) 0.096(4) Uani 1 1 d . . . . .
H4H H 0.5490 0.8828 0.5031 0.115 Uiso 1 1 calc R . . . .
C4I C 0.65379(11) 0.3482(5) 0.67854(19) 0.081(3) Uani 1 1 d . . . . .
H4I H 0.6517 0.3181 0.6619 0.097 Uiso 1 1 calc R . . . .
C4J C 0.66223(12) 0.4600(7) 0.4856(2) 0.116(5) Uani 1 1 d . . . . .
H4J H 0.6504 0.4899 0.4775 0.139 Uiso 1 1 calc R . . . .
C4K C 0.70345(9) 0.6022(4) 0.55785(17) 0.072(3) Uani 1 1 d . . . . .
H4K H 0.6975 0.5582 0.5468 0.086 Uiso 1 1 calc R . . . .
C4L C 0.53404(10) 0.7143(5) 0.43081(17) 0.084(3) Uani 1 1 d . . . . .
H4L H 0.5419 0.7503 0.4471 0.101 Uiso 1 1 calc R . . . .
C5A C 0.62110(13) 0.9405(6) 0.29076(17) 0.102(4) Uani 1 1 d . . . . .
H5A H 0.6065 0.9287 0.2768 0.122 Uiso 1 1 calc R . . . .
C5B C 0.63833(8) 0.8882(4) 0.58396(14) 0.057(2) Uani 1 1 d . . . . .
C5C C 0.60040(11) 0.6673(6) 0.35344(18) 0.089(3) Uani 1 1 d . . . . .
C5D C 0.60129(10) 0.3379(5) 0.48315(19) 0.079(3) Uani 1 1 d . . . . .
C5E C 0.68926(9) 0.7134(4) 0.62739(16) 0.063(3) Uani 1 1 d . . . . .
C5F C 0.55849(9) 0.4923(4) 0.48393(15) 0.061(2) Uani 1 1 d . . . . .
C5FB C 0.68592(10) 0.2398(9) 0.5835(2) 0.177(4) Uani 0.483(9) 1 d D . P A 2
H5FA H 0.6812 0.2899 0.5795 0.213 Uiso 0.483(9) 1 calc R . P A 2
H5FB H 0.6805 0.2185 0.5619 0.213 Uiso 0.483(9) 1 calc R . P A 2
C5G C 0.60827(11) 0.5464(5) 0.65774(19) 0.088(3) Uani 1 1 d . . . . .
C5H C 0.54568(13) 0.9536(5) 0.47008(19) 0.096(4) Uani 1 1 d . . . . .
H5H H 0.5347 0.9805 0.4672 0.115 Uiso 1 1 calc R . . . .
C5I C 0.65603(12) 0.4217(5) 0.6773(2) 0.090(4) Uani 1 1 d . . . . .
C5J C 0.67220(11) 0.4282(5) 0.5160(2) 0.092(3) Uani 1 1 d . . . . .
C5K C 0.69054(9) 0.6614(4) 0.54925(16) 0.066(3) Uani 1 1 d . . . . .
C5L C 0.54414(9) 0.6671(5) 0.42382(16) 0.069(3) Uani 1 1 d . . . . .
C6A C 0.63371(11) 0.9319(5) 0.32499(14) 0.078(3) Uani 1 1 d . . . . .
C6B C 0.64754(8) 0.9546(4) 0.59696(15) 0.059(2) Uani 1 1 d . . . . .
H6B H 0.6517 0.9834 0.5867 0.071 Uiso 1 1 calc R . . . .
C6C C 0.61721(11) 0.6884(5) 0.35431(16) 0.086(3) Uani 1 1 d . . . . .
H6C H 0.6311 0.6855 0.3749 0.104 Uiso 1 1 calc R . . . .
C6D C 0.58840(10) 0.2817(5) 0.46243(16) 0.076(3) Uani 1 1 d . . . . .
H6D H 0.5816 0.2840 0.4393 0.091 Uiso 1 1 calc R . . . .
C6E C 0.70733(10) 0.6735(4) 0.64120(17) 0.074(3) Uani 1 1 d . . . . .
H6E H 0.7061 0.6240 0.6369 0.089 Uiso 1 1 calc R . . . .
C6F C 0.54289(9) 0.5353(4) 0.47919(15) 0.065(2) Uani 1 1 d . . . . .
H6F H 0.5467 0.5761 0.4927 0.079 Uiso 1 1 calc R . . . .
C6G C 0.60508(10) 0.4769(5) 0.66295(19) 0.083(3) Uani 1 1 d . . . . .
H6G H 0.6013 0.4415 0.6469 0.099 Uiso 1 1 calc R . . . .
C6H C 0.55302(13) 0.9722(4) 0.4529(2) 0.088(4) Uani 1 1 d . . . . .
C6I C 0.65919(11) 0.4642(4) 0.70175(19) 0.080(3) Uani 1 1 d . . . . .
H6I H 0.6612 0.5138 0.7013 0.095 Uiso 1 1 calc R . . . .
C6J C 0.69017(14) 0.3849(6) 0.5307(3) 0.126(5) Uani 1 1 d . . . . .
H6J H 0.6975 0.3643 0.5521 0.151 Uiso 1 1 calc R . . . .
C6K C 0.69936(10) 0.7271(5) 0.56358(18) 0.079(3) Uani 1 1 d . . . . .
H6K H 0.6906 0.7678 0.5567 0.095 Uiso 1 1 calc R . . . .
C6L C 0.53302(10) 0.6156(4) 0.40000(15) 0.067(3) Uani 1 1 d . . . . .
H6L H 0.5403 0.5835 0.3960 0.080 Uiso 1 1 calc R . . . .
C7A C 0.62876(9) 0.9067(5) 0.34671(14) 0.077(3) Uani 1 1 d . . . . .
C7B C 0.65034(9) 0.9772(4) 0.62467(15) 0.066(3) Uani 1 1 d . . . . .
H7B H 0.6569 1.0219 0.6341 0.079 Uiso 1 1 calc R . . . .
C7C C 0.61492(10) 0.7126(6) 0.32770(18) 0.093(4) Uani 1 1 d . . . . .
H7C H 0.6268 0.7276 0.3294 0.111 Uiso 1 1 calc R . . . .
C7D C 0.58550(11) 0.2241(5) 0.47505(18) 0.084(3) Uani 1 1 d . . . . .
H7D H 0.5762 0.1872 0.4608 0.101 Uiso 1 1 calc R . . . .
C7E C 0.72708(11) 0.7044(4) 0.66116(19) 0.079(3) Uani 1 1 d . . . . .
H7E H 0.7394 0.6765 0.6705 0.095 Uiso 1 1 calc R . . . .
C7F C 0.52158(10) 0.5190(4) 0.45463(18) 0.076(3) Uani 1 1 d . . . . .
H7F H 0.5108 0.5482 0.4514 0.091 Uiso 1 1 calc R . . . .
C7G C 0.60723(10) 0.4586(5) 0.69074(17) 0.078(3) Uani 1 1 d . . . . .
H7G H 0.6053 0.4107 0.6942 0.094 Uiso 1 1 calc R . . . .
C7H C 0.56975(12) 0.9348(5) 0.45774(19) 0.084(3) Uani 1 1 d . . . . .
C7I C 0.65955(11) 0.4370(4) 0.7269(2) 0.083(4) Uani 1 1 d . . . . .
H7I H 0.6615 0.4676 0.7433 0.099 Uiso 1 1 calc R . . . .
C7J C 0.69625(13) 0.3750(5) 0.5101(3) 0.128(5) Uani 1 1 d . . . . .
H7J H 0.7079 0.3448 0.5176 0.154 Uiso 1 1 calc R . . . .
C7K C 0.72104(10) 0.7327(5) 0.58793(18) 0.080(3) Uani 1 1 d . . . . .
H7K H 0.7272 0.7773 0.5981 0.096 Uiso 1 1 calc R . . . .
C7L C 0.51182(10) 0.6099(5) 0.38211(19) 0.082(3) Uani 1 1 d . . . . .
H7L H 0.5040 0.5761 0.3647 0.098 Uiso 1 1 calc R . . . .
C8A C 0.60968(11) 0.8851(6) 0.33923(15) 0.097(4) Uani 1 1 d . . . . .
H8A H 0.5970 0.8864 0.3169 0.117 Uiso 1 1 calc R . . . .
C8B C 0.64378(9) 0.9360(4) 0.63945(15) 0.057(2) Uani 1 1 d . . . . .
C8C C 0.59465(11) 0.7153(6) 0.29769(19) 0.100(4) Uani 1 1 d . . . . .
C8D C 0.59616(10) 0.2198(4) 0.50851(18) 0.070(3) Uani 1 1 d . . . . .
C8E C 0.72877(10) 0.7752(4) 0.66740(18) 0.071(3) Uani 1 1 d . . . . .
C8F C 0.51639(10) 0.4604(5) 0.43525(17) 0.076(3) Uani 1 1 d . . . . .
C8G C 0.61215(10) 0.5100(5) 0.71386(17) 0.080(3) Uani 1 1 d . . . . .
C8H C 0.57811(10) 0.8779(5) 0.47891(17) 0.077(3) Uani 1 1 d . . . . .
H8H H 0.5893 0.8516 0.4820 0.093 Uiso 1 1 calc R . . . .
C8I C 0.65702(9) 0.3643(4) 0.72827(17) 0.070(3) Uani 1 1 d . . . . .
C8J C 0.68557(14) 0.4085(7) 0.4791(3) 0.130(5) Uani 1 1 d . . . . .
C8K C 0.73384(9) 0.6735(5) 0.59756(18) 0.074(3) Uani 1 1 d . . . . .
C8L C 0.50178(10) 0.6539(5) 0.38958(19) 0.085(3) Uani 1 1 d . . . . .
C9A C 0.60907(10) 0.8617(6) 0.36414(15) 0.088(3) Uani 1 1 d . . . . .
H9A H 0.5959 0.8491 0.3591 0.105 Uiso 1 1 calc R . . . .
C9B C 0.64514(10) 0.9462(4) 0.66889(15) 0.061(3) Uani 1 1 d . . . . .
C9C C 0.58708(11) 0.7397(7) 0.26416(17) 0.104(4) Uani 1 1 d . . . . .
C9D C 0.59645(11) 0.1635(4) 0.52876(19) 0.080(3) Uani 1 1 d . . . . .
C9E C 0.74732(10) 0.8222(4) 0.6867(2) 0.082(3) Uani 1 1 d . . . . .
C9F C 0.49552(11) 0.4330(6) 0.4071(2) 0.093(4) Uani 1 1 d . . . . .
C9G C 0.61567(11) 0.5021(6) 0.74484(19) 0.092(4) Uani 1 1 d . . . . .
C9H C 0.54602(14) 1.0264(5) 0.4284(2) 0.103(4) Uani 1 1 d . . . . .
C9I C 0.65558(10) 0.3203(4) 0.75036(18) 0.075(3) Uani 1 1 d . . . . .
C9J C 0.68859(14) 0.4049(7) 0.4528(2) 0.140(4) Uani 1 1 d . . . . .
C9K C 0.75644(10) 0.6651(5) 0.62419(19) 0.084(3) Uani 1 1 d . . . . .
C9L C 0.47924(9) 0.6595(4) 0.37061(16) 0.083(2) Uani 0.499(4) 1 d . U P B 1
C14L C 0.47592(14) 0.7104(5) 0.3866(2) 0.086(2) Uani 0.499(4) 1 d DG U P B 1
C13L C 0.45592(17) 0.7185(6) 0.3781(3) 0.096(3) Uani 0.499(4) 1 d G U P B 1
H13L H 0.4537 0.7533 0.3890 0.115 Uiso 0.499(4) 1 calc R . P B 1
C12L C 0.43925(12) 0.6757(7) 0.3538(3) 0.099(3) Uani 0.499(4) 1 d G U P B 1
H12L H 0.4256 0.6813 0.3480 0.119 Uiso 0.499(4) 1 calc R . P B 1
C11L C 0.44257(11) 0.6248(7) 0.3378(3) 0.095(3) Uani 0.499(4) 1 d G U P B 1
H11L H 0.4312 0.5956 0.3211 0.114 Uiso 0.499(4) 1 calc R . P B 1
C10L C 0.46257(12) 0.6167(5) 0.3462(2) 0.089(3) Uani 0.499(4) 1 d G U P B 1
H10L H 0.4648 0.5819 0.3353 0.107 Uiso 0.499(4) 1 calc R . P B 1
C10A C 0.62756(10) 0.8567(5) 0.39628(15) 0.081(3) Uani 1 1 d . . . . .
C10B C 0.65373(10) 1.0001(4) 0.69191(16) 0.068(3) Uani 1 1 d . . . . .
H10B H 0.6602 1.0400 0.6902 0.082 Uiso 1 1 calc R . . . .
C10C C 0.59789(12) 0.7669(7) 0.2538(2) 0.124(4) Uani 1 1 d . . . . .
H10C H 0.6128 0.7732 0.2691 0.149 Uiso 1 1 calc R . . . .
C10D C 0.58659(12) 0.0991(4) 0.5206(2) 0.090(4) Uani 1 1 d . . . . .
H10D H 0.5772 0.0843 0.4981 0.108 Uiso 1 1 calc R . . . .
C10E C 0.76902(11) 0.8083(5) 0.7045(2) 0.098(4) Uani 1 1 d . . . . .
H10E H 0.7740 0.7615 0.7062 0.118 Uiso 1 1 calc R . . . .
C10F C 0.47554(12) 0.4602(7) 0.3911(2) 0.123(5) Uani 1 1 d . . . . .
H10F H 0.4732 0.5029 0.3982 0.147 Uiso 1 1 calc R . . . .
C10G C 0.61419(14) 0.4464(7) 0.7604(2) 0.127(5) Uani 1 1 d . . . . .
H10G H 0.6102 0.4009 0.7504 0.152 Uiso 1 1 calc R . . . .
C10H C 0.53029(17) 1.0758(6) 0.4138(2) 0.127(5) Uani 1 1 d . . . . .
H10H H 0.5215 1.0794 0.4203 0.153 Uiso 1 1 calc R . . . .
C10I C 0.65657(11) 0.3385(6) 0.77770(19) 0.090(4) Uani 1 1 d . . . . .
H10I H 0.6589 0.3864 0.7850 0.108 Uiso 1 1 calc R . . . .
C10J C 0.70504(17) 0.3687(9) 0.4557(3) 0.190(7) Uani 1 1 d . . . . .
H10J H 0.7154 0.3418 0.4749 0.228 Uiso 1 1 calc R . . . .
C10K C 0.77206(11) 0.7126(5) 0.6470(2) 0.094(4) Uani 1 1 d . . . . .
H10K H 0.7687 0.7612 0.6465 0.113 Uiso 1 1 calc R . . . .
C11A C 0.64696(10) 0.8773(5) 0.40433(14) 0.075(3) Uani 1 1 d . . . . .
H11A H 0.6597 0.8737 0.4265 0.090 Uiso 1 1 calc R . . . .
C11B C 0.65257(12) 0.9938(5) 0.71807(17) 0.085(3) Uani 1 1 d . . . . .
H11B H 0.6581 1.0307 0.7341 0.103 Uiso 1 1 calc R . . . .
C11C C 0.58658(15) 0.7854(9) 0.2204(2) 0.159(6) Uani 1 1 d . . . . .
H11C H 0.5938 0.8032 0.2125 0.191 Uiso 1 1 calc R . . . .
C11D C 0.59036(12) 0.0557(5) 0.5455(2) 0.107(4) Uani 1 1 d . . . . .
H11D H 0.5835 0.0109 0.5397 0.128 Uiso 1 1 calc R . . . .
C11E C 0.78291(12) 0.8650(6) 0.7195(3) 0.120(5) Uani 1 1 d . . . . .
H11E H 0.7976 0.8569 0.7312 0.144 Uiso 1 1 calc R . . . .
C11F C 0.45876(16) 0.4225(8) 0.3638(3) 0.157(7) Uani 1 1 d . . . . .
H11F H 0.4448 0.4395 0.3529 0.188 Uiso 1 1 calc R . . . .
C11G C 0.61839(19) 0.4560(9) 0.7905(3) 0.167(7) Uani 1 1 d . . . . .
H11G H 0.6172 0.4172 0.8011 0.201 Uiso 1 1 calc R . . . .
C11H C 0.5270(2) 1.1193(7) 0.3904(3) 0.156(7) Uani 1 1 d . . . . .
H11H H 0.5157 1.1524 0.3801 0.187 Uiso 1 1 calc R . . . .
C11I C 0.65418(11) 0.2870(6) 0.79369(19) 0.093(3) Uani 1 1 d . . . . .
H11I H 0.6544 0.2998 0.8118 0.112 Uiso 1 1 calc R . . . .
C11J C 0.70537(19) 0.3744(11) 0.4291(4) 0.228(9) Uani 1 1 d . . . . .
H11J H 0.7156 0.3495 0.4291 0.273 Uiso 1 1 calc R . . . .
C11K C 0.79243(11) 0.6888(6) 0.6703(2) 0.108(4) Uani 1 1 d . . . . .
H11K H 0.8033 0.7209 0.6859 0.130 Uiso 1 1 calc R . . . .
C12A C 0.64733(10) 0.9029(5) 0.37952(15) 0.074(3) Uani 1 1 d . . . . .
C12B C 0.64353(12) 0.9354(5) 0.72097(18) 0.090(3) Uani 1 1 d . . . . .
H12B H 0.6432 0.9322 0.7391 0.108 Uiso 1 1 calc R . . . .
C12C C 0.56518(16) 0.7775(9) 0.1993(2) 0.175(7) Uani 1 1 d . . . . .
H12C H 0.5576 0.7899 0.1766 0.210 Uiso 1 1 calc R . . . .
C12D C 0.60371(12) 0.0756(5) 0.5782(2) 0.099(4) Uani 1 1 d . . . . .
H12D H 0.6064 0.0445 0.5950 0.118 Uiso 1 1 calc R . . . .
C12E C 0.77602(13) 0.9325(6) 0.7178(3) 0.125(5) Uani 1 1 d . . . . .
H12E H 0.7860 0.9701 0.7287 0.150 Uiso 1 1 calc R . . . .
C12F C 0.46144(16) 0.3631(9) 0.3522(3) 0.167(7) Uani 1 1 d . . . . .
H12F H 0.4495 0.3401 0.3331 0.201 Uiso 1 1 calc R . . . .
C12G C 0.6242(2) 0.5193(8) 0.8049(3) 0.169(7) Uani 1 1 d . . . . .
H12G H 0.6273 0.5239 0.8259 0.203 Uiso 1 1 calc R . . . .
C12H C 0.5395(2) 1.1176(6) 0.3806(3) 0.169(8) Uani 1 1 d . . . . .
H12H H 0.5372 1.1501 0.3645 0.202 Uiso 1 1 calc R . . . .
C12I C 0.65147(10) 0.2158(6) 0.7844(2) 0.096(4) Uani 1 1 d . . . . .
H12I H 0.6504 0.1801 0.7964 0.115 Uiso 1 1 calc R . . . .
C12J C 0.68994(17) 0.4186(13) 0.4017(3) 0.263(10) Uani 1 1 d . . . . .
H12J H 0.6908 0.4235 0.3841 0.316 Uiso 1 1 calc R . . . .
C12K C 0.79686(12) 0.6193(6) 0.6708(2) 0.112(5) Uani 1 1 d . . . . .
H12K H 0.8110 0.6038 0.6874 0.135 Uiso 1 1 calc R . . . .
C13A C 0.6913(4) 0.5663(6) 0.3777(5) 0.256(10) Uani 0.395(6) 1 d D U P C 1
H13A H 0.6933 0.5607 0.3608 0.385 Uiso 0.395(6) 1 calc GR . P C 1
H13B H 0.6763 0.5755 0.3669 0.385 Uiso 0.395(6) 1 calc GR . P C 1
H13C H 0.6957 0.5227 0.3909 0.385 Uiso 0.395(6) 1 calc GR . P C 1
C13B C 0.63497(10) 0.8816(4) 0.69782(14) 0.075(2) Uani 1 1 d . . . . .
H13D H 0.6284 0.8419 0.6995 0.090 Uiso 1 1 calc R . . . .
C13C C 0.55409(14) 0.7523(8) 0.2098(2) 0.143(5) Uani 1 1 d . . . . .
H13E H 0.5391 0.7492 0.1947 0.171 Uiso 1 1 calc R . . . .
C13D C 0.61328(12) 0.1423(5) 0.5864(2) 0.103(4) Uani 1 1 d . . . . .
H13F H 0.6222 0.1577 0.6089 0.123 Uiso 1 1 calc R . . . .
C13E C 0.75466(12) 0.9465(5) 0.7004(2) 0.107(4) Uani 1 1 d . . . . .
H13G H 0.7499 0.9934 0.6992 0.129 Uiso 1 1 calc R . . . .
C13F C 0.48153(16) 0.3354(7) 0.3678(3) 0.145(6) Uani 1 1 d . . . . .
H13H H 0.4836 0.2928 0.3603 0.174 Uiso 1 1 calc R . . . .
C13G C 0.62606(17) 0.5810(8) 0.7908(3) 0.144(7) Uani 1 1 d . . . . .
H13I H 0.6303 0.6259 0.8016 0.173 Uiso 1 1 calc R . . . .
C13H C 0.55541(19) 1.0681(6) 0.3946(3) 0.137(5) Uani 1 1 d . . . . .
H13J H 0.5640 1.0645 0.3878 0.164 Uiso 1 1 calc R . . . .
C13I C 0.65038(10) 0.1987(5) 0.75707(18) 0.083(3) Uani 1 1 d . . . . .
H13K H 0.6482 0.1507 0.7500 0.099 Uiso 1 1 calc R . . . .
C13J C 0.67388(19) 0.4547(13) 0.3988(3) 0.243(11) Uani 1 1 d . . . . .
H13M H 0.6632 0.4799 0.3792 0.292 Uiso 1 1 calc R . . . .
C13K C 0.78190(11) 0.5691(6) 0.6483(2) 0.107(4) Uani 1 1 d . . . . .
H13N H 0.7854 0.5206 0.6491 0.128 Uiso 1 1 calc R . . . .
C14A C 0.70488(18) 0.6294(5) 0.4008(4) 0.192(5) Uani 0.395(6) 1 d D U P C 1
H14A H 0.7135 0.6149 0.4244 0.231 Uiso 0.395(6) 1 calc R . P C 1
H14B H 0.7146 0.6462 0.3963 0.231 Uiso 0.395(6) 1 calc R . P C 1
C14B C 0.63619(10) 0.8864(4) 0.67246(15) 0.063(3) Uani 1 1 d . . . . .
C14C C 0.56519(12) 0.7314(7) 0.24249(19) 0.109(4) Uani 1 1 d . . . . .
C14D C 0.60987(11) 0.1854(4) 0.5622(2) 0.081(3) Uani 1 1 d . . . . .
C14E C 0.74036(11) 0.8908(4) 0.6848(2) 0.087(4) Uani 1 1 d . . . . .
C14F C 0.49891(12) 0.3734(6) 0.3957(2) 0.109(4) Uani 1 1 d . . . . .
C14G C 0.62098(13) 0.5691(6) 0.7587(2) 0.103(4) Uani 1 1 d . . . . .
C14H C 0.55871(15) 1.0228(5) 0.4192(2) 0.102(4) Uani 1 1 d . . . . .
C14I C 0.65237(10) 0.2498(5) 0.74012(18) 0.075(3) Uani 1 1 d . . . . .
C14J C 0.67428(18) 0.4520(10) 0.4267(3) 0.177(8) Uani 1 1 d . . . . .
C14K C 0.76158(10) 0.5948(5) 0.62486(19) 0.088(3) Uani 1 1 d . . . . .
C15A C 0.68924(16) 0.6880(4) 0.3932(5) 0.161(4) Uani 0.395(6) 1 d D U P C 1
H15A H 0.6853 0.6822 0.4079 0.193 Uiso 0.395(6) 1 calc R . P C 1
H15B H 0.6762 0.6830 0.3700 0.193 Uiso 0.395(6) 1 calc R . P C 1
C15B C 0.62736(8) 0.8362(4) 0.64363(12) 0.0545(19) Uani 1 1 d . . . . .
C15C C 0.5765(2) 0.3274(6) 0.2758(5) 0.230(9) Uani 0.598(6) 1 d D U P D 1
H15C H 0.5852 0.3331 0.2686 0.345 Uiso 0.598(6) 1 calc GR . P D 1
H15D H 0.5691 0.2818 0.2678 0.345 Uiso 0.598(6) 1 calc GR . P D 1
H15E H 0.5856 0.3288 0.3001 0.345 Uiso 0.598(6) 1 calc GR . P D 1
C15D C 0.52745(13) 0.4647(6) 0.5393(2) 0.127(5) Uani 1 1 d . . . . .
H15F H 0.5215 0.4728 0.5161 0.191 Uiso 1 1 calc GR . . . .
H15G H 0.5243 0.5055 0.5474 0.191 Uiso 1 1 calc GR . . . .
H15H H 0.5212 0.4218 0.5407 0.191 Uiso 1 1 calc GR . . . .
C15E C 0.6793(2) 0.9584(9) 0.4928(2) 0.268(12) Uani 1 1 d D . . . .
H15I H 0.6656 0.9801 0.4753 0.402 Uiso 1 1 calc GR . . . .
H15J H 0.6778 0.9067 0.4915 0.402 Uiso 1 1 calc GR . . . .
H15K H 0.6898 0.9725 0.4899 0.402 Uiso 1 1 calc GR . . . .
C15F C 0.53267(14) 0.1256(11) 0.5466(2) 0.176(8) Uani 0.523(12) 1 d D U P E 1
H15L H 0.5172 0.1231 0.5310 0.263 Uiso 0.523(12) 1 calc GR . P E 1
H15M H 0.5370 0.1643 0.5625 0.263 Uiso 0.523(12) 1 calc GR . P E 1
H15N H 0.5383 0.0806 0.5587 0.263 Uiso 0.523(12) 1 calc GR . P E 1
C15G C 0.5302(3) 0.8616(16) 0.6241(3) 0.258(9) Uani 0.603(8) 1 d D U P F 1
H15O H 0.5316 0.8973 0.6117 0.387 Uiso 0.603(8) 1 calc GR . P F 1
H15P H 0.5169 0.8697 0.6208 0.387 Uiso 0.603(8) 1 calc GR . P F 1
H15Q H 0.5299 0.8142 0.6161 0.387 Uiso 0.603(8) 1 calc GR . P F 1
C15H C 0.51655(18) 0.6734(8) 0.3076(3) 0.170(7) Uani 1 1 d . . . . .
H15R H 0.5079 0.7070 0.2892 0.255 Uiso 1 1 calc GR . . . .
H15S H 0.5092 0.6604 0.3165 0.255 Uiso 1 1 calc GR . . . .
H15T H 0.5190 0.6307 0.2994 0.255 Uiso 1 1 calc GR . . . .
C15I C 0.58481(19) 0.0285(5) 0.6652(3) 0.167(7) Uani 0.684(7) 1 d D . P G 1
H15U H 0.5693 0.0283 0.6513 0.251 Uiso 0.684(7) 1 calc GR . P G 1
H15V H 0.5909 0.0151 0.6880 0.251 Uiso 0.684(7) 1 calc GR . P G 1
H15W H 0.5894 -0.0054 0.6563 0.251 Uiso 0.684(7) 1 calc GR . P G 1
C15J C 0.71821(18) 0.8047(14) 0.5030(9) 0.223(8) Uani 0.399(7) 1 d D . P H 1
H15X H 0.7277 0.7696 0.5042 0.334 Uiso 0.399(7) 1 calc GR . P H 1
H15Y H 0.7222 0.8119 0.5252 0.334 Uiso 0.399(7) 1 calc GR . P H 1
H H 0.7194 0.8497 0.4947 0.334 Uiso 0.399(7) 1 calc GR . P H 1
C15K C 0.71108(17) 0.3913(9) 0.6985(3) 0.184(8) Uani 1 1 d . . . . .
H15Z H 0.7002 0.4272 0.6915 0.275 Uiso 1 1 calc GR . . . .
HA H 0.7247 0.4069 0.7190 0.275 Uiso 1 1 calc GR . . . .
HB H 0.7069 0.3463 0.7025 0.275 Uiso 1 1 calc GR . . . .
C15L C 0.47986(9) 0.6598(4) 0.38295(16) 0.083(2) Uani 0.501(4) 1 d . . P B 2
C20L C 0.47924(13) 0.7154(5) 0.4001(2) 0.086(2) Uani 0.501(4) 1 d DG . P B 2
C19L C 0.46094(17) 0.7280(6) 0.3967(3) 0.096(3) Uani 0.501(4) 1 d G . P B 2
H19L H 0.4605 0.7660 0.4085 0.115 Uiso 0.501(4) 1 calc R . P B 2
C18L C 0.44325(14) 0.6850(7) 0.3761(3) 0.099(3) Uani 0.501(4) 1 d G . P B 2
H18L H 0.4307 0.6936 0.3738 0.119 Uiso 0.501(4) 1 calc R . P B 2
C17L C 0.44387(11) 0.6294(7) 0.3590(3) 0.095(3) Uani 0.501(4) 1 d G . P B 2
H17L H 0.4318 0.6000 0.3449 0.114 Uiso 0.501(4) 1 calc R . P B 2
C16L C 0.46217(12) 0.6168(5) 0.3624(2) 0.089(3) Uani 0.501(4) 1 d G . P B 2
H16L H 0.4626 0.5788 0.3506 0.107 Uiso 0.501(4) 1 calc R . P B 2
C16A C 0.69841(16) 0.7628(4) 0.3980(6) 0.144(3) Uani 0.395(6) 1 d D U P C 1
H16A H 0.7056 0.7657 0.3879 0.172 Uiso 0.395(6) 1 calc R . P C 1
H16B H 0.7089 0.7737 0.4220 0.172 Uiso 0.395(6) 1 calc R . P C 1
C16B C 0.7236(2) 0.5875(9) 0.7246(4) 0.214(11) Uani 1 1 d . . . . .
H16C H 0.7276 0.6163 0.7135 0.321 Uiso 1 1 calc GR . . . .
H16D H 0.7277 0.5380 0.7256 0.321 Uiso 1 1 calc GR . . . .
H16E H 0.7308 0.6055 0.7472 0.321 Uiso 1 1 calc GR . . . .
C16C C 0.56031(16) 0.3876(5) 0.2615(2) 0.201(5) Uani 0.598(6) 1 d D U P D 1
H16F H 0.5630 0.4164 0.2799 0.241 Uiso 0.598(6) 1 calc R . P D 1
H16G H 0.5459 0.3674 0.2488 0.241 Uiso 0.598(6) 1 calc R . P D 1
C16D C 0.55130(12) 0.4554(6) 0.5603(2) 0.104(4) Uani 1 1 d . . . . .
H16H H 0.5574 0.4986 0.5583 0.125 Uiso 1 1 calc R . . . .
H16I H 0.5573 0.4507 0.5839 0.125 Uiso 1 1 calc R . . . .
C16E C 0.6864(2) 0.9831(9) 0.5262(2) 0.267(12) Uani 1 1 d D . . . .
H16J H 0.6946 1.0274 0.5315 0.320 Uiso 1 1 calc R . . . .
H16K H 0.6735 0.9961 0.5236 0.320 Uiso 1 1 calc R . . . .
C16F C 0.54129(14) 0.1395(6) 0.52738(19) 0.164(4) Uani 0.523(12) 1 d D U P E 1
H16M H 0.5567 0.1486 0.5430 0.197 Uiso 0.523(12) 1 calc R . P E 1
H16N H 0.5387 0.0978 0.5136 0.197 Uiso 0.523(12) 1 calc R . P E 1
C16G C 0.54890(13) 0.8674(9) 0.6610(3) 0.229(5) Uani 0.603(8) 1 d D U P F 1
H16O H 0.5453 0.8427 0.6740 0.275 Uiso 0.603(8) 1 calc R . P F 1
H16P H 0.5514 0.9180 0.6676 0.275 Uiso 0.603(8) 1 calc R . P F 1
C16H C 0.53749(15) 0.7072(6) 0.3345(2) 0.122(5) Uani 1 1 d . . . . .
H16Q H 0.5466 0.6717 0.3521 0.146 Uiso 1 1 calc R . . . .
H16R H 0.5446 0.7218 0.3250 0.146 Uiso 1 1 calc R . . . .
C16I C 0.59233(13) 0.1019(5) 0.66523(17) 0.133(4) Uani 0.684(7) 1 d D . P G 1
H16S H 0.6060 0.1110 0.6874 0.159 Uiso 0.684(7) 1 calc R . P G 1
H16T H 0.5820 0.1370 0.6618 0.159 Uiso 0.684(7) 1 calc R . P G 1
C16J C 0.69511(16) 0.7778(6) 0.4792(8) 0.198(4) Uani 0.399(7) 1 d D . P H 1
H16U H 0.6865 0.7888 0.4865 0.238 Uiso 0.399(7) 1 calc R . P H 1
H16V H 0.6875 0.7908 0.4556 0.238 Uiso 0.399(7) 1 calc R . P H 1
C16K C 0.71326(16) 0.3815(7) 0.6721(3) 0.159(6) Uani 1 1 d . . . . .
H16W H 0.6994 0.3672 0.6512 0.190 Uiso 1 1 calc R . . . .
H16X H 0.7235 0.3427 0.6786 0.190 Uiso 1 1 calc R . . . .
C17A C 0.67989(17) 0.8161(4) 0.3811(3) 0.119(3) Uani 0.395(6) 1 d D U P C 1
H17A H 0.6752 0.8262 0.3585 0.142 Uiso 0.395(6) 1 calc R . P C 1
H17B H 0.6679 0.7936 0.3787 0.142 Uiso 0.395(6) 1 calc R . P C 1
C17B C 0.69928(17) 0.5920(8) 0.7050(3) 0.169(8) Uani 1 1 d . . . . .
H17C H 0.6920 0.5759 0.6819 0.203 Uiso 1 1 calc R . . . .
H17D H 0.6951 0.5599 0.7153 0.203 Uiso 1 1 calc R . . . .
C17C C 0.56171(15) 0.4352(5) 0.2387(2) 0.184(4) Uani 0.598(6) 1 d D U P D 1
H17E H 0.5573 0.4083 0.2187 0.221 Uiso 0.598(6) 1 calc R . P D 1
H17F H 0.5765 0.4514 0.2505 0.221 Uiso 0.598(6) 1 calc R . P D 1
C17D C 0.55790(12) 0.3923(5) 0.5509(2) 0.095(4) Uani 1 1 d . . . . .
H17G H 0.5516 0.3967 0.5272 0.114 Uiso 1 1 calc R . . . .
H17H H 0.5519 0.3492 0.5533 0.114 Uiso 1 1 calc R . . . .
C17E C 0.6981(3) 0.9415(8) 0.5531(3) 0.225(11) Uani 1 1 d . . . . .
H17I H 0.7131 0.9421 0.5618 0.270 Uiso 1 1 calc R . . . .
H17J H 0.6929 0.8920 0.5470 0.270 Uiso 1 1 calc R . . . .
C17F C 0.52960(16) 0.2048(6) 0.50523(17) 0.160(4) Uani 0.523(12) 1 d D . P E 1
H17K H 0.5144 0.2021 0.4952 0.192 Uiso 0.523(12) 1 calc R . P E 1
H17M H 0.5356 0.2484 0.5189 0.192 Uiso 0.523(12) 1 calc R . P E 1
C17G C 0.56953(13) 0.8353(6) 0.6699(2) 0.211(4) Uani 0.603(8) 1 d D U P F 1
H17N H 0.5663 0.8088 0.6506 0.253 Uiso 0.603(8) 1 calc R . P F 1
H17O H 0.5796 0.8739 0.6753 0.253 Uiso 0.603(8) 1 calc R . P F 1
C17H C 0.53538(12) 0.7695(5) 0.34952(19) 0.095(3) Uani 1 1 d . . . . .
H17P H 0.5291 0.7541 0.3603 0.114 Uiso 1 1 calc R . . . .
H17Q H 0.5253 0.8033 0.3316 0.114 Uiso 1 1 calc R . . . .
C17I C 0.59526(13) 0.1135(4) 0.63869(17) 0.122(3) Uani 0.684(7) 1 d D . P G 1
H17R H 0.6087 0.0917 0.6459 0.146 Uiso 0.684(7) 1 calc R . P G 1
H17S H 0.5835 0.0910 0.6175 0.146 Uiso 0.684(7) 1 calc R . P G 1
C17J C 0.70469(17) 0.7027(5) 0.4883(7) 0.193(3) Uani 0.399(7) 1 d D . P H 1
H17T H 0.7108 0.6880 0.5112 0.231 Uiso 0.399(7) 1 calc R . P H 1
H17U H 0.7148 0.6942 0.4837 0.231 Uiso 0.399(7) 1 calc R . P H 1
C17K C 0.72077(14) 0.4480(6) 0.6657(3) 0.130(5) Uani 1 1 d . . . . .
H17V H 0.7338 0.4652 0.6871 0.156 Uiso 1 1 calc R . . . .
H17W H 0.7098 0.4852 0.6569 0.156 Uiso 1 1 calc R . . . .
C18A C 0.68512(16) 0.8860(4) 0.3996(3) 0.106(2) Uani 0.395(6) 1 d D U P C 1
H18A H 0.6970 0.9094 0.4018 0.127 Uiso 0.395(6) 1 calc R . P C 1
H18B H 0.6898 0.8765 0.4223 0.127 Uiso 0.395(6) 1 calc R . P C 1
C18B C 0.69223(14) 0.6669(5) 0.7046(3) 0.129(6) Uani 1 1 d . . . . .
H18C H 0.6981 0.6994 0.6969 0.155 Uiso 1 1 calc R . . . .
H18D H 0.6985 0.6806 0.7276 0.155 Uiso 1 1 calc R . . . .
C18C C 0.54709(16) 0.4995(4) 0.2283(4) 0.161(4) Uani 0.598(6) 1 d D U P D 1
H18E H 0.5379 0.4916 0.2348 0.193 Uiso 0.598(6) 1 calc R . P D 1
H18F H 0.5379 0.5053 0.2039 0.193 Uiso 0.598(6) 1 calc R . P D 1
C18D C 0.58165(12) 0.3824(5) 0.5710(2) 0.092(4) Uani 1 1 d . . . . .
H18G H 0.5878 0.3728 0.5944 0.111 Uiso 1 1 calc R . . . .
H18H H 0.5879 0.4271 0.5706 0.111 Uiso 1 1 calc R . . . .
C18E C 0.69687(17) 0.9660(8) 0.5788(3) 0.154(7) Uani 1 1 d . . . . .
H18I H 0.6818 0.9666 0.5696 0.184 Uiso 1 1 calc R . . . .
H18J H 0.7022 1.0154 0.5848 0.184 Uiso 1 1 calc R . . . .
C18F C 0.53186(10) 0.2083(6) 0.47803(13) 0.152(3) Uani 1 1 d D U . . .
H18K H 0.5251 0.1659 0.4636 0.182 Uiso 0.523(12) 1 calc R . P E 1
H18M H 0.5471 0.2075 0.4882 0.182 Uiso 0.523(12) 1 calc R . P E 1
H18N H 0.5297 0.1676 0.4640 0.182 Uiso 0.477(12) 1 calc R . P E 2
H18O H 0.5473 0.2155 0.4954 0.182 Uiso 0.477(12) 1 calc R . P E 2
C18G C 0.57968(14) 0.7852(5) 0.6998(2) 0.179(4) Uani 0.603(8) 1 d D U P F 1
H18P H 0.5685 0.7587 0.6983 0.215 Uiso 0.603(8) 1 calc R . P F 1
H18Q H 0.5878 0.8132 0.7206 0.215 Uiso 0.603(8) 1 calc R . P F 1
C18H C 0.55586(12) 0.8077(5) 0.37486(19) 0.097(3) Uani 1 1 d . . . . .
H18R H 0.5615 0.8264 0.3637 0.116 Uiso 1 1 calc R . . . .
H18S H 0.5663 0.7730 0.3918 0.116 Uiso 1 1 calc R . . . .
C18I C 0.59559(15) 0.1934(4) 0.6337(2) 0.105(3) Uani 0.684(7) 1 d D . P G 1
H18T H 0.5818 0.2140 0.6257 0.126 Uiso 0.684(7) 1 calc R . P G 1
H18U H 0.5972 0.2013 0.6163 0.126 Uiso 0.684(7) 1 calc R . P G 1
C18J C 0.68226(19) 0.6732(5) 0.4614(6) 0.186(3) Uani 0.399(7) 1 d D . P H 1
H18V H 0.6724 0.6912 0.4653 0.223 Uiso 0.399(7) 1 calc R . P H 1
H18W H 0.6772 0.6898 0.4393 0.223 Uiso 0.399(7) 1 calc R . P H 1
C18K C 0.72548(13) 0.4377(6) 0.6412(2) 0.120(5) Uani 1 1 d . . . . .
H18X H 0.7368 0.4018 0.6504 0.143 Uiso 1 1 calc R . . . .
H18Y H 0.7126 0.4186 0.6201 0.143 Uiso 1 1 calc R . . . .
C19A C 0.66582(16) 0.9362(4) 0.3814(3) 0.101(2) Uani 0.395(6) 1 d D U P C 1
C19B C 0.66835(14) 0.6782(5) 0.6828(2) 0.097(4) Uani 1 1 d . . . . .
H19A H 0.6619 0.6568 0.6608 0.117 Uiso 1 1 calc R . . . .
H19B H 0.6629 0.6520 0.6928 0.117 Uiso 1 1 calc R . . . .
C19C C 0.56049(14) 0.5670(4) 0.2454(3) 0.136(3) Uani 0.598(6) 1 d D U P D 1
H19C H 0.5727 0.5564 0.2687 0.163 Uiso 0.598(6) 1 calc R . P D 1
H19D H 0.5661 0.5837 0.2338 0.163 Uiso 0.598(6) 1 calc R . P D 1
C19D C 0.58778(11) 0.3221(5) 0.55855(17) 0.079(3) Uani 1 1 d . . . . .
H19E H 0.5816 0.2772 0.5591 0.095 Uiso 1 1 calc R . . . .
H19F H 0.5816 0.3316 0.5352 0.095 Uiso 1 1 calc R . . . .
C19E C 0.70914(14) 0.9218(5) 0.6096(2) 0.113(5) Uani 1 1 d . . . . .
H19G H 0.7049 0.8715 0.6033 0.136 Uiso 1 1 calc R . . . .
H19H H 0.7244 0.9255 0.6202 0.136 Uiso 1 1 calc R . . . .
C19F C 0.52141(16) 0.2769(6) 0.4563(2) 0.144(3) Uani 1 1 d D U . . .
H19I H 0.5058 0.2738 0.4427 0.173 Uiso 1 1 calc R . . . .
H19J H 0.5263 0.3191 0.4708 0.173 Uiso 1 1 calc R . . . .
C19G C 0.59462(14) 0.7327(5) 0.7003(2) 0.157(3) Uani 0.603(8) 1 d D U P F 1
H19K H 0.5869 0.7087 0.6785 0.188 Uiso 0.603(8) 1 calc R . P F 1
H19M H 0.6067 0.7588 0.7043 0.188 Uiso 0.603(8) 1 calc R . P F 1
C19H C 0.55413(12) 0.8692(6) 0.3926(2) 0.100(4) Uani 1 1 d . . . . .
H19N H 0.5432 0.9030 0.3759 0.120 Uiso 1 1 calc R . . . .
H19O H 0.5497 0.8506 0.4055 0.120 Uiso 1 1 calc R . . . .
C19I C 0.61369(11) 0.2327(6) 0.6658(2) 0.096(2) Uani 0.684(7) 1 d D . P G 1
H19P H 0.6138 0.2832 0.6605 0.115 Uiso 0.684(7) 1 calc R . P G 1
H19Q H 0.6110 0.2308 0.6822 0.115 Uiso 0.684(7) 1 calc R . P G 1
C19J C 0.6825(2) 0.5917(5) 0.4622(5) 0.178(3) Uani 0.399(7) 1 d D . P H 1
H19R H 0.6936 0.5743 0.4610 0.214 Uiso 0.399(7) 1 calc R . P H 1
H19S H 0.6862 0.5756 0.4836 0.214 Uiso 0.399(7) 1 calc R . P H 1
C19K C 0.73215(12) 0.5040(6) 0.6337(2) 0.115(4) Uani 1 1 d . . . . .
H19T H 0.7207 0.5397 0.6236 0.138 Uiso 1 1 calc R . . . .
H19U H 0.7449 0.5240 0.6546 0.138 Uiso 1 1 calc R . . . .
C20A C 0.67207(16) 1.0085(4) 0.3993(4) 0.124(3) Uani 0.395(6) 1 d D U P C 1
H20A H 0.6796 1.0006 0.4233 0.148 Uiso 0.395(6) 1 calc R . P C 1
H20B H 0.6819 1.0334 0.3969 0.148 Uiso 0.395(6) 1 calc R . P C 1
C20B C 0.66095(12) 0.7546(5) 0.67754(18) 0.084(3) Uani 1 1 d . . . . .
H20C H 0.6662 0.7813 0.6672 0.101 Uiso 1 1 calc R . . . .
H20D H 0.6672 0.7766 0.6994 0.101 Uiso 1 1 calc R . . . .
C20C C 0.54675(13) 0.6244(4) 0.2443(3) 0.119(3) Uani 0.598(6) 1 d D U P D 1
H20E H 0.5419 0.6073 0.2568 0.143 Uiso 0.598(6) 1 calc R . P D 1
H20F H 0.5340 0.6309 0.2209 0.143 Uiso 0.598(6) 1 calc R . P D 1
C20D C 0.61153(12) 0.3128(4) 0.57885(18) 0.087(4) Uani 1 1 d . . . . .
H20G H 0.6173 0.2987 0.6017 0.104 Uiso 1 1 calc R . . . .
H20H H 0.6178 0.3593 0.5804 0.104 Uiso 1 1 calc R . . . .
C20E C 0.70605(12) 0.9421(5) 0.6341(2) 0.101(4) Uani 1 1 d . . . . .
H20I H 0.6906 0.9444 0.6225 0.121 Uiso 1 1 calc R . . . .
H20J H 0.7118 0.9906 0.6420 0.121 Uiso 1 1 calc R . . . .
C20F C 0.52754(16) 0.2838(6) 0.4340(2) 0.127(4) Uani 1 1 d . U . . .
H20K H 0.5203 0.2458 0.4171 0.153 Uiso 1 1 calc R . . . .
H20L H 0.5430 0.2751 0.4476 0.153 Uiso 1 1 calc R . . . .
C20G C 0.60279(13) 0.6779(4) 0.72747(18) 0.135(3) Uani 1 1 d D U . . .
H20M H 0.5905 0.6488 0.7208 0.162 Uiso 0.603(8) 1 calc R . P F 1
H20N H 0.6075 0.7042 0.7477 0.162 Uiso 0.603(8) 1 calc R . P F 1
H20O H 0.5890 0.6554 0.7099 0.162 Uiso 0.397(8) 1 calc R . P F 2
H20P H 0.6031 0.6865 0.7468 0.162 Uiso 0.397(8) 1 calc R . P F 2
C20H C 0.57523(12) 0.9077(5) 0.4159(2) 0.102(4) Uani 1 1 d . . . . .
H20Q H 0.5787 0.9301 0.4024 0.123 Uiso 1 1 calc R . . . .
H20R H 0.5864 0.8721 0.4304 0.123 Uiso 1 1 calc R . . . .
C20I C 0.63512(8) 0.2004(6) 0.6808(2) 0.110(3) Uani 1 1 d D U . . .
H20S H 0.6372 0.1993 0.6638 0.132 Uiso 0.684(7) 1 calc R . P G 1
H20T H 0.6352 0.1507 0.6872 0.132 Uiso 0.684(7) 1 calc R . P G 1
H20U H 0.6374 0.1487 0.6850 0.132 Uiso 0.316(7) 1 calc R . P G 2
H20V H 0.6346 0.2113 0.6615 0.132 Uiso 0.316(7) 1 calc R . P G 2
C20J C 0.6612(2) 0.5590(5) 0.4338(5) 0.173(3) Uani 0.399(7) 1 d D . P H 1
H20W H 0.6587 0.5716 0.4129 0.208 Uiso 0.399(7) 1 calc R . P H 1
H20X H 0.6501 0.5834 0.4333 0.208 Uiso 0.399(7) 1 calc R . P H 1
C20K C 0.73687(12) 0.4880(5) 0.6104(2) 0.109(4) Uani 1 1 d . . . . .
H20Y H 0.7246 0.4625 0.5910 0.130 Uiso 1 1 calc R . . . .
HC H 0.7491 0.4552 0.6217 0.130 Uiso 1 1 calc R . . . .
C21A C 0.65245(16) 1.0549(4) 0.3850(4) 0.158(3) Uani 0.395(6) 1 d D U P C 1
H21A H 0.6443 1.0351 0.3919 0.190 Uiso 0.395(6) 1 calc R . P C 1
H21B H 0.6433 1.0535 0.3605 0.190 Uiso 0.395(6) 1 calc R . P C 1
C21B C 0.63694(10) 0.7609(4) 0.65558(14) 0.067(2) Uani 1 1 d . . . . .
H21C H 0.6322 0.7408 0.6679 0.080 Uiso 1 1 calc R . . . .
H21D H 0.6308 0.7309 0.6357 0.080 Uiso 1 1 calc R . . . .
C21C C 0.55748(12) 0.6970(4) 0.2584(2) 0.110(2) Uani 0.598(6) 1 d D U P D 1
C21D C 0.64343(12) 0.2604(5) 0.5888(2) 0.108(3) Uani 1 1 d . U . . .
H21E H 0.6481 0.3091 0.5889 0.130 Uiso 1 1 calc R . . . .
H21F H 0.6489 0.2491 0.6117 0.130 Uiso 1 1 calc R . . . .
C21E C 0.71613(10) 0.8938(4) 0.6647(2) 0.084(4) Uani 1 1 d . . . . .
C21F C 0.52266(13) 0.3536(5) 0.4164(2) 0.100(4) Uani 1 1 d . . . . .
C21G C 0.62118(8) 0.6248(5) 0.7380(2) 0.119(3) Uani 1 1 d D U . . .
C21H C 0.57617(9) 0.9652(5) 0.4381(2) 0.121(3) Uani 1 1 d D U . . .
C21I C 0.65355(11) 0.2402(5) 0.71121(18) 0.089(3) Uani 1 1 d D . . . .
C21J C 0.65710(17) 0.4784(5) 0.4324(6) 0.166(3) Uani 0.399(7) 1 d D . P H 1
C21K C 0.74180(11) 0.5512(6) 0.5976(2) 0.105(3) Uani 1 1 d . U . . .
C21L C 0.4789(3) 1.0452(6) 0.3000(6) 0.209(6) Uani 0.499(4) 1 d D . P B 1
H21G H 0.4692 1.0452 0.2757 0.314 Uiso 0.499(4) 1 calc GR . P B 1
H21H H 0.4885 1.0858 0.3081 0.314 Uiso 0.499(4) 1 calc GR . P B 1
H21I H 0.4707 1.0488 0.3083 0.314 Uiso 0.499(4) 1 calc GR . P B 1
C22A C 0.6583(2) 1.1327(5) 0.39677(19) 0.192(4) Uani 0.395(6) 1 d D U P C 1
H22A H 0.6721 1.1442 0.4019 0.230 Uiso 0.395(6) 1 calc R . P C 1
H22B H 0.6474 1.1645 0.3787 0.230 Uiso 0.395(6) 1 calc R . P C 1
C22B C 0.60304(9) 0.8293(4) 0.62128(14) 0.070(2) Uani 1 1 d . U . . .
H22C H 0.5985 0.7944 0.6036 0.084 Uiso 1 1 calc R . . . .
H22D H 0.5992 0.8098 0.6348 0.084 Uiso 1 1 calc R . . . .
C22C C 0.54117(12) 0.7451(4) 0.2562(2) 0.113(2) Uani 0.598(6) 1 d D U P D 1
H22E H 0.5292 0.7534 0.2325 0.136 Uiso 0.598(6) 1 calc R . P D 1
H22F H 0.5355 0.7197 0.2661 0.136 Uiso 0.598(6) 1 calc R . P D 1
C22D C 0.65288(8) 0.2099(6) 0.5788(3) 0.132(3) Uani 1 1 d D U . . .
H22G H 0.6478 0.2190 0.5560 0.159 Uiso 0.517(9) 1 calc R . P A 1
H22H H 0.6500 0.1599 0.5808 0.159 Uiso 0.517(9) 1 calc R . P A 1
H22I H 0.6468 0.2224 0.5558 0.159 Uiso 0.483(9) 1 calc R . P A 2
H22J H 0.6472 0.1624 0.5778 0.159 Uiso 0.483(9) 1 calc R . P A 2
C22E C 0.70978(11) 0.9180(5) 0.6860(2) 0.104(3) Uani 1 1 d . U . . .
H22K H 0.7142 0.9680 0.6923 0.125 Uiso 1 1 calc R . . . .
H22L H 0.6941 0.9173 0.6717 0.125 Uiso 1 1 calc R . . . .
C22F C 0.52992(13) 0.3501(6) 0.39572(19) 0.144(3) Uani 1 1 d D U . . .
H22M H 0.5223 0.3106 0.3797 0.172 Uiso 1 1 calc R . . . .
H22N H 0.5452 0.3375 0.4106 0.172 Uiso 1 1 calc R . . . .
C22G C 0.64354(12) 0.6579(6) 0.7603(4) 0.114(3) Uani 0.555(5) 1 d D . P I 1
H22O H 0.6450 0.6903 0.7467 0.137 Uiso 0.555(5) 1 calc R . P I 1
H22P H 0.6450 0.6867 0.7778 0.137 Uiso 0.555(5) 1 calc R . P I 1
C22H C 0.59742(11) 1.0009(7) 0.4656(2) 0.130(3) Uani 0.543(7) 1 d D U P J 1
H22Q H 0.5953 1.0338 0.4784 0.156 Uiso 0.543(7) 1 calc R . P J 1
H22R H 0.6078 0.9643 0.4811 0.156 Uiso 0.543(7) 1 calc R . P J 1
C22I C 0.67546(10) 0.2017(5) 0.72577(18) 0.112(3) Uani 1 1 d D U . . .
H22S H 0.6870 0.2292 0.7453 0.135 Uiso 1 1 calc R . . . .
H22T H 0.6752 0.1545 0.7340 0.135 Uiso 1 1 calc R . . . .
C22J C 0.63537(18) 0.4414(5) 0.4081(6) 0.179(3) Uani 0.399(7) 1 d D . P H 1
H22U H 0.6251 0.4630 0.4104 0.214 Uiso 0.399(7) 1 calc R . P H 1
H22V H 0.6301 0.4495 0.3850 0.214 Uiso 0.399(7) 1 calc R . P H 1
C22K C 0.74430(11) 0.5238(7) 0.57177(18) 0.123(3) Uani 1 1 d D U . . .
H22W H 0.7553 0.4864 0.5828 0.147 Uiso 1 1 calc R . . . .
H22X H 0.7308 0.5003 0.5539 0.147 Uiso 1 1 calc R . . . .
C22L C 0.49174(14) 0.9763(5) 0.3126(3) 0.176(3) Uani 0.499(4) 1 d D . P B 1
H22Y H 0.5059 0.9851 0.3341 0.211 Uiso 0.499(4) 1 calc R . P B 1
HD H 0.4938 0.9597 0.2965 0.211 Uiso 0.499(4) 1 calc R . P B 1
C23A C 0.6756(3) 1.2060(7) 0.4492(2) 0.232(5) Uani 0.395(6) 1 d D U P C 1
H23A H 0.6681 1.2523 0.4418 0.278 Uiso 0.395(6) 1 calc R . P C 1
H23B H 0.6869 1.2073 0.4469 0.278 Uiso 0.395(6) 1 calc R . P C 1
C23B C 0.59078(9) 0.8967(5) 0.60517(18) 0.084(2) Uani 1 1 d D U . . .
H23C H 0.5953 0.9324 0.6226 0.100 Uiso 1 1 calc R . . . .
H23D H 0.5941 0.9158 0.5908 0.100 Uiso 1 1 calc R . . . .
C23C C 0.54968(12) 0.8164(4) 0.2733(2) 0.127(3) Uani 0.598(6) 1 d D U P D 1
H23E H 0.5555 0.8418 0.2636 0.152 Uiso 0.598(6) 1 calc R . P D 1
H23F H 0.5614 0.8085 0.2972 0.152 Uiso 0.598(6) 1 calc R . P D 1
C23D C 0.67664(11) 0.2291(6) 0.6052(3) 0.158(4) Uani 0.517(9) 1 d D U P A 1
H23G H 0.6801 0.2364 0.6272 0.190 Uiso 0.517(9) 1 calc R . P A 1
H23H H 0.6800 0.2731 0.5988 0.190 Uiso 0.517(9) 1 calc R . P A 1
C23E C 0.71794(13) 0.8783(6) 0.7167(2) 0.118(3) Uani 1 1 d . U . . .
H23I H 0.7336 0.8801 0.7316 0.141 Uiso 1 1 calc R . . . .
H23J H 0.7137 0.8280 0.7108 0.141 Uiso 1 1 calc R . . . .
C23F C 0.52722(8) 0.4149(6) 0.37656(13) 0.148(3) Uani 1 1 d D U . . .
H23K H 0.5351 0.4541 0.3927 0.177 Uiso 0.582(9) 1 calc R . P K 1
H23L H 0.5120 0.4279 0.3621 0.177 Uiso 0.582(9) 1 calc R . P K 1
H23M H 0.5308 0.4582 0.3900 0.177 Uiso 0.418(9) 1 calc R . P K 2
H23N H 0.5124 0.4188 0.3559 0.177 Uiso 0.418(9) 1 calc R . P K 2
C23G C 0.66153(12) 0.6036(6) 0.7770(4) 0.124(3) Uani 0.555(5) 1 d D . P I 1
H23O H 0.6612 0.5796 0.7596 0.149 Uiso 0.555(5) 1 calc R . P I 1
H23P H 0.6588 0.5672 0.7879 0.149 Uiso 0.555(5) 1 calc R . P I 1
C23H C 0.60607(10) 1.0416(7) 0.4507(2) 0.149(3) Uani 0.543(7) 1 d D U P J 1
H23Q H 0.5972 1.0842 0.4390 0.179 Uiso 0.543(7) 1 calc R . P J 1
H23R H 0.6052 1.0113 0.4341 0.179 Uiso 0.543(7) 1 calc R . P J 1
C23I C 0.68157(9) 0.1907(5) 0.7036(2) 0.138(3) Uani 1 1 d D U . . .
H23S H 0.6825 0.2366 0.6952 0.165 Uiso 0.414(11) 1 calc R . P L 1
H23T H 0.6711 0.1601 0.6845 0.165 Uiso 0.414(11) 1 calc R . P L 1
H23U H 0.6835 0.2376 0.6971 0.165 Uiso 0.586(11) 1 calc R . P L 2
H23V H 0.6699 0.1660 0.6831 0.165 Uiso 0.586(11) 1 calc R . P L 2
C23J C 0.63650(18) 0.3613(5) 0.4143(6) 0.192(3) Uani 0.399(7) 1 d D . P H 1
H23W H 0.6418 0.3529 0.4374 0.230 Uiso 0.399(7) 1 calc R . P H 1
H23X H 0.6466 0.3394 0.4119 0.230 Uiso 0.399(7) 1 calc R . P H 1
C23K C 0.74975(10) 0.5730(5) 0.55554(13) 0.139(3) Uani 1 1 d D U . . .
H23Y H 0.7615 0.6040 0.5728 0.167 Uiso 0.383(10) 1 calc R . P M 1
HE H 0.7374 0.6038 0.5400 0.167 Uiso 0.383(10) 1 calc R . P M 1
HF H 0.7646 0.5898 0.5716 0.167 Uiso 0.617(10) 1 calc R . P M 2
HG H 0.7402 0.6146 0.5462 0.167 Uiso 0.617(10) 1 calc R . P M 2
C23L C 0.48021(14) 0.9188(6) 0.31712(13) 0.163(3) Uani 0.499(4) 1 d D . P B 1
H23Z H 0.4841 0.8715 0.3140 0.196 Uiso 0.499(4) 1 calc R . P B 1
HH H 0.4647 0.9247 0.2999 0.196 Uiso 0.499(4) 1 calc R . P B 1
C24A C 0.6853(4) 1.1924(17) 0.4859(2) 0.269(10) Uani 0.395(6) 1 d D U P C 1
H24A H 0.6957 1.2295 0.5000 0.404 Uiso 0.395(6) 1 calc GR . P C 1
H24B H 0.6923 1.1460 0.4929 0.404 Uiso 0.395(6) 1 calc GR . P C 1
H24C H 0.6741 1.1931 0.4882 0.404 Uiso 0.395(6) 1 calc GR . P C 1
C24B C 0.56728(8) 0.8850(4) 0.58461(15) 0.096(3) Uani 1 1 d D U . . .
H24D H 0.5643 0.8629 0.5989 0.115 Uiso 0.708(9) 1 calc R . P N 1
H24E H 0.5629 0.8509 0.5667 0.115 Uiso 0.708(9) 1 calc R . P N 1
H24F H 0.5637 0.8377 0.5740 0.115 Uiso 0.292(9) 1 calc R . P N 2
H24G H 0.5597 0.9212 0.5668 0.115 Uiso 0.292(9) 1 calc R . P N 2
C24C C 0.53282(13) 0.8631(5) 0.2700(2) 0.144(3) Uani 0.598(6) 1 d D U P D 1
H24H H 0.5246 0.8347 0.2748 0.173 Uiso 0.598(6) 1 calc R . P D 1
H24I H 0.5228 0.8813 0.2469 0.173 Uiso 0.598(6) 1 calc R . P D 1
C24D C 0.68936(12) 0.1652(6) 0.60632(18) 0.177(4) Uani 0.517(9) 1 d D U P A 1
H24J H 0.7042 0.1664 0.6270 0.213 Uiso 0.517(9) 1 calc R . P A 1
H24K H 0.6829 0.1197 0.6055 0.213 Uiso 0.517(9) 1 calc R . P A 1
C24E C 0.71053(12) 0.9048(6) 0.73542(19) 0.127(3) Uani 1 1 d D U . . .
H24L H 0.7157 0.9540 0.7426 0.153 Uiso 1 1 calc R . . . .
H24M H 0.6949 0.9069 0.7198 0.153 Uiso 1 1 calc R . . . .
C24F C 0.53417(13) 0.4122(6) 0.35467(16) 0.154(3) Uani 0.582(9) 1 d D . P K 1
H24N H 0.5499 0.4108 0.3691 0.185 Uiso 0.582(9) 1 calc R . P K 1
H24O H 0.5287 0.3680 0.3414 0.185 Uiso 0.582(9) 1 calc R . P K 1
C24G C 0.68390(13) 0.6342(6) 0.8031(4) 0.139(3) Uani 0.555(5) 1 d D . P I 1
H24P H 0.6879 0.6634 0.7917 0.167 Uiso 0.555(5) 1 calc R . P I 1
H24Q H 0.6837 0.6656 0.8184 0.167 Uiso 0.555(5) 1 calc R . P I 1
C24H C 0.62919(12) 1.0646(6) 0.4774(3) 0.170(4) Uani 0.543(7) 1 d D U P J 1
H24R H 0.6387 1.0232 0.4849 0.204 Uiso 0.543(7) 1 calc R . P J 1
H24S H 0.6309 1.0844 0.4968 0.204 Uiso 0.543(7) 1 calc R . P J 1
C24I C 0.70362(10) 0.1541(8) 0.7264(2) 0.153(3) Uani 0.414(11) 1 d D U P L 1
H24T H 0.7138 0.1872 0.7444 0.183 Uiso 0.414(11) 1 calc R . P L 1
H24U H 0.7025 0.1119 0.7367 0.183 Uiso 0.414(11) 1 calc R . P L 1
C24J C 0.61445(18) 0.3260(5) 0.3896(7) 0.210(4) Uani 0.399(7) 1 d D . P H 1
H24V H 0.6047 0.3487 0.3928 0.252 Uiso 0.399(7) 1 calc R . P H 1
H24W H 0.6092 0.3378 0.3669 0.252 Uiso 0.399(7) 1 calc R . P H 1
C24K C 0.75635(14) 0.5370(11) 0.53610(17) 0.161(3) Uani 0.383(10) 1 d D U P M 1
H24X H 0.7669 0.5668 0.5371 0.193 Uiso 0.383(10) 1 calc R . P M 1
H24Y H 0.7629 0.4904 0.5462 0.193 Uiso 0.383(10) 1 calc R . P M 1
C24L C 0.48580(17) 0.9224(4) 0.35169(13) 0.146(3) Uani 0.499(4) 1 d D . P B 1
H24Z H 0.4737 0.9408 0.3501 0.175 Uiso 0.499(4) 1 calc R . P B 1
HI H 0.4982 0.9537 0.3666 0.175 Uiso 0.499(4) 1 calc R . P B 1
C25A C 0.65978(19) 1.1458(7) 0.42765(19) 0.220(4) Uani 0.395(6) 1 d D U P C 1
H25A H 0.6644 1.1017 0.4410 0.264 Uiso 0.395(6) 1 calc R . P C 1
H25B H 0.6456 1.1585 0.4207 0.264 Uiso 0.395(6) 1 calc R . P C 1
C25B C 0.55379(10) 0.9509(5) 0.5690(3) 0.117(3) Uani 0.708(9) 1 d D U P N 1
H25C H 0.5569 0.9744 0.5552 0.140 Uiso 0.708(9) 1 calc R . P N 1
H25D H 0.5575 0.9845 0.5867 0.140 Uiso 0.708(9) 1 calc R . P N 1
C25C C 0.54359(14) 0.9257(5) 0.2944(3) 0.161(4) Uani 0.598(6) 1 d D U P D 1
H25E H 0.5533 0.9070 0.3174 0.194 Uiso 0.598(6) 1 calc R . P D 1
H25F H 0.5522 0.9526 0.2900 0.194 Uiso 0.598(6) 1 calc R . P D 1
C25D C 0.68854(11) 0.1727(11) 0.57564(17) 0.191(5) Uani 0.517(9) 1 d D U P A 1
H25G H 0.6783 0.2100 0.5606 0.230 Uiso 0.517(9) 1 calc R . P A 1
H25H H 0.6842 0.1274 0.5633 0.230 Uiso 0.517(9) 1 calc R . P A 1
C25E C 0.71674(9) 0.8646(6) 0.76458(14) 0.154(3) Uani 1 1 d D U . . .
H25I H 0.7320 0.8726 0.7828 0.185 Uiso 0.594(13) 1 calc R . P O 1
H25J H 0.7147 0.8134 0.7592 0.185 Uiso 0.594(13) 1 calc R . P O 1
H25K H 0.7322 0.8552 0.7785 0.185 Uiso 0.406(13) 1 calc R . P O 2
H25L H 0.7094 0.8181 0.7569 0.185 Uiso 0.406(13) 1 calc R . P O 2
C25F C 0.52628(12) 0.4757(6) 0.33107(16) 0.155(3) Uani 0.582(9) 1 d D . P K 1
H25M H 0.5309 0.5201 0.3442 0.186 Uiso 0.582(9) 1 calc R . P K 1
H25N H 0.5106 0.4753 0.3156 0.186 Uiso 0.582(9) 1 calc R . P K 1
C25G C 0.70058(17) 0.5760(6) 0.8233(3) 0.153(3) Uani 0.555(5) 1 d D . P I 1
H25O H 0.6934 0.5326 0.8227 0.183 Uiso 0.555(5) 1 calc R . P I 1
H25P H 0.7071 0.5647 0.8127 0.183 Uiso 0.555(5) 1 calc R . P I 1
C25H C 0.63494(14) 1.1217(4) 0.4623(2) 0.187(4) Uani 0.543(7) 1 d D U P J 1
H25Q H 0.6500 1.1167 0.4715 0.225 Uiso 0.543(7) 1 calc R . P J 1
H25R H 0.6259 1.1163 0.4379 0.225 Uiso 0.543(7) 1 calc R . P J 1
C25I C 0.71237(11) 0.1309(6) 0.70849(18) 0.177(4) Uani 0.414(11) 1 d D U P L 1
H25S H 0.7014 0.1038 0.6883 0.212 Uiso 0.414(11) 1 calc R . P L 1
H25T H 0.7247 0.0994 0.7232 0.212 Uiso 0.414(11) 1 calc R . P L 1
C25J C 0.6124(2) 0.2447(4) 0.3912(8) 0.236(4) Uani 0.399(7) 1 d D . P H 1
H25U H 0.6187 0.2352 0.4147 0.284 Uiso 0.399(7) 1 calc R . P H 1
H25V H 0.6225 0.2245 0.3881 0.284 Uiso 0.399(7) 1 calc R . P H 1
C25K C 0.73678(14) 0.5269(13) 0.49996(17) 0.181(4) Uani 0.383(10) 1 d D U P M 1
H25W H 0.7288 0.5721 0.4916 0.218 Uiso 0.383(10) 1 calc R . P M 1
H25X H 0.7274 0.4909 0.4991 0.218 Uiso 0.383(10) 1 calc R . P M 1
C25L C 0.49099(18) 0.8455(4) 0.36484(13) 0.130(3) Uani 0.499(4) 1 d D . P B 1
H25Y H 0.4785 0.8151 0.3493 0.155 Uiso 0.499(4) 1 calc R . P B 1
HJ H 0.5028 0.8277 0.3655 0.155 Uiso 0.499(4) 1 calc R . P B 1
C26A C 0.62797(9) 0.8337(5) 0.42509(14) 0.070(2) Uani 1 1 d . U . . .
C26B C 0.53011(11) 0.9337(6) 0.5474(3) 0.133(4) Uani 0.708(9) 1 d D U P N 1
H26A H 0.5281 0.8926 0.5572 0.159 Uiso 0.708(9) 1 calc R . P N 1
H26B H 0.5251 0.9196 0.5250 0.159 Uiso 0.708(9) 1 calc R . P N 1
C26C C 0.52750(14) 0.9758(5) 0.2915(3) 0.185(5) Uani 0.598(6) 1 d D U P D 1
H26C H 0.5150 0.9812 0.2679 0.222 Uiso 0.598(6) 1 calc R . P D 1
H26D H 0.5227 0.9559 0.3037 0.222 Uiso 0.598(6) 1 calc R . P D 1
C26D C 0.71120(13) 0.1933(13) 0.5888(4) 0.210(9) Uani 0.517(9) 1 d D U P A 1
H26E H 0.7104 0.2257 0.5731 0.315 Uiso 0.517(9) 1 calc GR . P A 1
H26F H 0.7190 0.1504 0.5913 0.315 Uiso 0.517(9) 1 calc GR . P A 1
H26G H 0.7186 0.2167 0.6104 0.315 Uiso 0.517(9) 1 calc GR . P A 1
C26E C 0.70382(12) 0.8855(8) 0.77688(16) 0.172(4) Uani 0.594(13) 1 d D . P O 1
H26H H 0.7045 0.9375 0.7801 0.206 Uiso 0.594(13) 1 calc R . P O 1
H26I H 0.6888 0.8721 0.7599 0.206 Uiso 0.594(13) 1 calc R . P O 1
C26F C 0.53453(11) 0.4754(9) 0.31062(18) 0.164(4) Uani 0.582(9) 1 d D . P K 1
H26J H 0.5253 0.5051 0.2905 0.197 Uiso 0.582(9) 1 calc R . P K 1
H26K H 0.5346 0.4265 0.3037 0.197 Uiso 0.582(9) 1 calc R . P K 1
C26G C 0.71815(16) 0.5960(7) 0.8597(3) 0.165(3) Uani 0.555(5) 1 d D . P I 1
H26L H 0.7130 0.5923 0.8729 0.198 Uiso 0.555(5) 1 calc R . P I 1
H26M H 0.7231 0.6450 0.8614 0.198 Uiso 0.555(5) 1 calc R . P I 1
C26H C 0.63124(15) 1.1946(5) 0.4714(3) 0.202(5) Uani 0.543(7) 1 d D U P J 1
H26N H 0.6168 1.2120 0.4531 0.243 Uiso 0.543(7) 1 calc R . P J 1
H26O H 0.6324 1.1906 0.4917 0.243 Uiso 0.543(7) 1 calc R . P J 1
C26I C 0.71911(13) 0.1959(6) 0.69877(18) 0.194(5) Uani 0.414(11) 1 d D U P L 1
H26P H 0.7313 0.2200 0.7190 0.233 Uiso 0.414(11) 1 calc R . P L 1
H26Q H 0.7072 0.2301 0.6860 0.233 Uiso 0.414(11) 1 calc R . P L 1
C46J C 0.59287(18) 0.1952(5) 0.3709(8) 0.252(5) Uani 0.399(7) 1 d D . P H 1
H46A H 0.5831 0.2119 0.3476 0.302 Uiso 0.399(7) 1 calc R . P H 1
H46B H 0.5852 0.1968 0.3803 0.302 Uiso 0.399(7) 1 calc R . P H 1
C26K C 0.74193(12) 0.5032(14) 0.4769(2) 0.189(5) Uani 0.383(10) 1 d D U P M 1
H26R H 0.7344 0.4584 0.4657 0.227 Uiso 0.383(10) 1 calc R . P M 1
H26S H 0.7370 0.5397 0.4596 0.227 Uiso 0.383(10) 1 calc R . P M 1
C26L C 0.49699(16) 0.8391(5) 0.39902(13) 0.116(3) Uani 0.499(4) 1 d D . P B 1
H26T H 0.4877 0.8709 0.4004 0.139 Uiso 0.499(4) 1 calc R . P B 1
H26U H 0.5118 0.8559 0.4156 0.139 Uiso 0.499(4) 1 calc R . P B 1
C27A C 0.62889(9) 0.8219(5) 0.44866(13) 0.0718(18) Uani 1 1 d . U . . .
C27B C 0.51643(17) 0.9953(7) 0.5439(5) 0.175(8) Uani 0.362(15) 1 d D U P N 1
H27A H 0.5164 1.0333 0.5308 0.262 Uiso 0.362(15) 1 calc GR . P N 1
H27B H 0.5223 1.0134 0.5660 0.262 Uiso 0.362(15) 1 calc GR . P N 1
H27C H 0.5019 0.9786 0.5327 0.262 Uiso 0.362(15) 1 calc GR . P N 1
C27C C 0.5380(3) 1.0481(5) 0.3061(5) 0.234(9) Uani 0.598(6) 1 d D U P D 1
H27D H 0.5270 1.0840 0.2985 0.351 Uiso 0.598(6) 1 calc GR . P D 1
H27E H 0.5463 1.0611 0.2987 0.351 Uiso 0.598(6) 1 calc GR . P D 1
H27F H 0.5473 1.0456 0.3304 0.351 Uiso 0.598(6) 1 calc GR . P D 1
C27D C 0.61888(11) 0.2585(5) 0.5657(2) 0.094(3) Uani 1 1 d . U . . .
C27E C 0.7129(2) 0.8474(9) 0.8100(2) 0.208(9) Uani 0.594(13) 1 d D . P O 1
H27G H 0.7234 0.8119 0.8146 0.313 Uiso 0.594(13) 1 calc GR . P O 1
H27H H 0.7014 0.8240 0.8083 0.313 Uiso 0.594(13) 1 calc GR . P O 1
H27I H 0.7198 0.8823 0.8281 0.313 Uiso 0.594(13) 1 calc GR . P O 1
C27F C 0.55740(14) 0.5058(10) 0.3331(4) 0.194(8) Uani 0.582(9) 1 d D . P K 1
H27J H 0.5571 0.5558 0.3275 0.290 Uiso 0.582(9) 1 calc GR . P K 1
H27K H 0.5663 0.4789 0.3295 0.290 Uiso 0.582(9) 1 calc GR . P K 1
H27L H 0.5633 0.5020 0.3564 0.290 Uiso 0.582(9) 1 calc GR . P K 1
C27G C 0.73610(16) 0.5421(8) 0.8720(5) 0.184(6) Uani 0.555(5) 1 d D . P I 1
H27M H 0.7428 0.5526 0.8618 0.276 Uiso 0.555(5) 1 calc GR . P I 1
H27N H 0.7302 0.4940 0.8659 0.276 Uiso 0.555(5) 1 calc GR . P I 1
H27O H 0.7467 0.5455 0.8963 0.276 Uiso 0.555(5) 1 calc GR . P I 1
C27H C 0.64788(16) 1.2462(7) 0.4772(5) 0.213(9) Uani 0.543(7) 1 d D U P J 1
H27P H 0.6468 1.2490 0.4571 0.319 Uiso 0.543(7) 1 calc GR . P J 1
H27Q H 0.6621 1.2294 0.4958 0.319 Uiso 0.543(7) 1 calc GR . P J 1
H27R H 0.6455 1.2933 0.4824 0.319 Uiso 0.543(7) 1 calc GR . P J 1
C27I C 0.72539(15) 0.1695(13) 0.6772(2) 0.249(9) Uani 0.414(11) 1 d D U P L 1
H27S H 0.7199 0.2025 0.6588 0.373 Uiso 0.414(11) 1 calc GR . P L 1
H27T H 0.7194 0.1222 0.6684 0.373 Uiso 0.414(11) 1 calc GR . P L 1
H27U H 0.7409 0.1671 0.6909 0.373 Uiso 0.414(11) 1 calc GR . P L 1
C27J C 0.5997(3) 0.1179(5) 0.3717(7) 0.262(9) Uani 0.399(7) 1 d D . P H 1
H27V H 0.6147 0.1171 0.3814 0.393 Uiso 0.399(7) 1 calc GR . P H 1
H27W H 0.5911 0.0991 0.3490 0.393 Uiso 0.399(7) 1 calc GR . P H 1
H27X H 0.5976 0.0887 0.3853 0.393 Uiso 0.399(7) 1 calc GR . P H 1
C27K C 0.76593(13) 0.4921(19) 0.4969(5) 0.202(8) Uani 0.383(10) 1 d D U P M 1
H27Y H 0.7716 0.5282 0.4906 0.303 Uiso 0.383(10) 1 calc GR . P M 1
HK H 0.7686 0.4448 0.4922 0.303 Uiso 0.383(10) 1 calc GR . P M 1
HL H 0.7729 0.4961 0.5207 0.303 Uiso 0.383(10) 1 calc GR . P M 1
C27L C 0.49525(14) 0.7626(4) 0.40856(16) 0.109(2) Uani 0.499(4) 1 d D . P B 1
C28A C 0.7200(2) 0.5959(6) 0.3887(3) 0.256(10) Uani 0.605(6) 1 d D . P C 2
H28A H 0.7088 0.6041 0.3650 0.385 Uiso 0.605(6) 1 calc GR . P C 2
H28B H 0.7169 0.5525 0.3955 0.385 Uiso 0.605(6) 1 calc GR . P C 2
H28C H 0.7336 0.5907 0.3930 0.385 Uiso 0.605(6) 1 calc GR . P C 2
C28B C 0.55987(10) 0.8897(14) 0.6057(2) 0.117(3) Uani 0.292(9) 1 d D . P N 2
H28D H 0.5624 0.9383 0.6149 0.140 Uiso 0.292(9) 1 calc R . P N 2
H28E H 0.5683 0.8564 0.6247 0.140 Uiso 0.292(9) 1 calc R . P N 2
C28C C 0.5558(3) 0.3153(6) 0.2398(9) 0.230(9) Uani 0.402(6) 1 d D . P D 2
H28F H 0.5497 0.2742 0.2250 0.345 Uiso 0.402(6) 1 calc GR . P D 2
H28G H 0.5580 0.3040 0.2604 0.345 Uiso 0.402(6) 1 calc GR . P D 2
H28H H 0.5694 0.3275 0.2450 0.345 Uiso 0.402(6) 1 calc GR . P D 2
C28D C 0.67674(10) 0.2002(9) 0.5977(2) 0.158(4) Uani 0.483(9) 1 d D . P A 2
H28I H 0.6843 0.2158 0.6210 0.190 Uiso 0.483(9) 1 calc R . P A 2
H28J H 0.6797 0.1489 0.5983 0.190 Uiso 0.483(9) 1 calc R . P A 2
C28E C 0.71216(17) 0.8989(5) 0.7869(2) 0.172(4) Uani 0.406(13) 1 d D U P O 2
H28K H 0.6989 0.8791 0.7812 0.206 Uiso 0.406(13) 1 calc R . P O 2
H28L H 0.7238 0.8877 0.8105 0.206 Uiso 0.406(13) 1 calc R . P O 2
C28F C 0.5493(3) 0.1593(11) 0.5520(3) 0.176(8) Uani 0.477(12) 1 d D . P E 2
H28M H 0.5620 0.1686 0.5538 0.263 Uiso 0.477(12) 1 calc GR . P E 2
H28N H 0.5527 0.1247 0.5690 0.263 Uiso 0.477(12) 1 calc GR . P E 2
H28O H 0.5444 0.2036 0.5554 0.263 Uiso 0.477(12) 1 calc GR . P E 2
C28G C 0.5654(4) 0.9129(14) 0.6870(2) 0.258(9) Uani 0.397(8) 1 d D . P F 2
H28P H 0.5753 0.8984 0.6829 0.387 Uiso 0.397(8) 1 calc GR . P F 2
H28Q H 0.5622 0.9636 0.6821 0.387 Uiso 0.397(8) 1 calc GR . P F 2
H28R H 0.5522 0.8856 0.6727 0.387 Uiso 0.397(8) 1 calc GR . P F 2
C28H C 0.59999(13) 0.9849(7) 0.4579(2) 0.130(3) Uani 0.457(7) 1 d D . P J 2
H28S H 0.6087 0.9413 0.4670 0.156 Uiso 0.457(7) 1 calc R . P J 2
H28T H 0.6022 1.0076 0.4428 0.156 Uiso 0.457(7) 1 calc R . P J 2
C28I C 0.5755(2) 0.0503(10) 0.6784(2) 0.167(7) Uani 0.316(7) 1 d D U P G 2
H28U H 0.5635 0.0211 0.6724 0.251 Uiso 0.316(7) 1 calc GR . P G 2
H28V H 0.5793 0.0837 0.6960 0.251 Uiso 0.316(7) 1 calc GR . P G 2
H28W H 0.5877 0.0197 0.6864 0.251 Uiso 0.316(7) 1 calc GR . P G 2
C28J C 0.72839(17) 0.8017(15) 0.5236(5) 0.223(8) Uani 0.601(7) 1 d D U P H 2
H28X H 0.7313 0.8528 0.5262 0.334 Uiso 0.601(7) 1 calc GR . P H 2
H28Y H 0.7362 0.7785 0.5170 0.334 Uiso 0.601(7) 1 calc GR . P H 2
HM H 0.7329 0.7818 0.5447 0.334 Uiso 0.601(7) 1 calc GR . P H 2
C28K C 0.74685(12) 0.5281(7) 0.52718(15) 0.161(3) Uani 0.617(10) 1 d D . P M 2
H28Z H 0.7548 0.4831 0.5364 0.193 Uiso 0.617(10) 1 calc R . P M 2
HN H 0.7317 0.5167 0.5099 0.193 Uiso 0.617(10) 1 calc R . P M 2
C28L C 0.49994(19) 0.7805(5) 0.44152(17) 0.121(3) Uani 0.499(4) 1 d D . P B 1
H28 H 0.4884 0.8087 0.4382 0.145 Uiso 0.499(4) 1 calc R . P B 1
HO H 0.5135 0.8067 0.4564 0.145 Uiso 0.499(4) 1 calc R . P B 1
C29A C 0.72106(15) 0.6595(5) 0.4087(3) 0.192(5) Uani 0.605(6) 1 d D . P C 2
H29A H 0.7320 0.6936 0.4136 0.231 Uiso 0.605(6) 1 calc R . P C 2
H29B H 0.7247 0.6430 0.4300 0.231 Uiso 0.605(6) 1 calc R . P C 2
C29B C 0.53622(13) 0.8719(6) 0.5855(5) 0.133(4) Uani 0.292(9) 1 d D . P N 2
H29C H 0.5324 0.8341 0.5692 0.159 Uiso 0.292(9) 1 calc R . P N 2
H29D H 0.5333 0.8541 0.6005 0.159 Uiso 0.292(9) 1 calc R . P N 2
C29C C 0.54058(19) 0.3787(4) 0.2227(8) 0.201(5) Uani 0.402(6) 1 d D . P D 2
H29E H 0.5311 0.3805 0.2288 0.241 Uiso 0.402(6) 1 calc R . P D 2
H29F H 0.5318 0.3738 0.1983 0.241 Uiso 0.402(6) 1 calc R . P D 2
C29D C 0.71047(12) 0.2373(6) 0.6072(4) 0.191(5) Uani 0.483(9) 1 d D . P A 2
H29G H 0.7158 0.2438 0.5944 0.230 Uiso 0.483(9) 1 calc R . P A 2
H29H H 0.7162 0.2759 0.6238 0.230 Uiso 0.483(9) 1 calc R . P A 2
C29E C 0.7101(4) 0.9790(5) 0.7820(6) 0.208(9) Uani 0.406(13) 1 d D U P O 2
H29I H 0.6959 0.9906 0.7616 0.313 Uiso 0.406(13) 1 calc GR . P O 2
H29J H 0.7208 0.9963 0.7801 0.313 Uiso 0.406(13) 1 calc GR . P O 2
H29K H 0.7122 1.0016 0.8010 0.313 Uiso 0.406(13) 1 calc GR . P O 2
C29F C 0.5315(3) 0.1292(6) 0.5171(2) 0.164(4) Uani 0.477(12) 1 d D . P E 2
H29L H 0.5376 0.0968 0.5097 0.197 Uiso 0.477(12) 1 calc R . P E 2
H29M H 0.5210 0.1026 0.5174 0.197 Uiso 0.477(12) 1 calc R . P E 2
C29G C 0.5755(2) 0.8992(6) 0.7238(2) 0.229(5) Uani 0.397(8) 1 d D . P F 2
H29N H 0.5644 0.8908 0.7263 0.275 Uiso 0.397(8) 1 calc R . P F 2
H29O H 0.5841 0.9404 0.7377 0.275 Uiso 0.397(8) 1 calc R . P F 2
C29H C 0.60705(12) 1.0358(6) 0.4864(2) 0.149(3) Uani 0.457(7) 1 d D . P J 2
H29P H 0.6067 1.0110 0.5030 0.179 Uiso 0.457(7) 1 calc R . P J 2
H29Q H 0.5972 1.0766 0.4777 0.179 Uiso 0.457(7) 1 calc R . P J 2
C29I C 0.56941(12) 0.0916(9) 0.64791(19) 0.133(4) Uani 0.316(7) 1 d D U P G 2
H29R H 0.5661 0.1413 0.6494 0.159 Uiso 0.316(7) 1 calc R . P G 2
H29S H 0.5565 0.0703 0.6276 0.159 Uiso 0.316(7) 1 calc R . P G 2
C29J C 0.70443(17) 0.7893(6) 0.4966(5) 0.198(4) Uani 0.601(7) 1 d D U P H 2
H29T H 0.6969 0.8017 0.5056 0.238 Uiso 0.601(7) 1 calc R . P H 2
H29U H 0.6991 0.8207 0.4774 0.238 Uiso 0.601(7) 1 calc R . P H 2
C29K C 0.75492(13) 0.5700(6) 0.51195(15) 0.181(4) Uani 0.617(10) 1 d D . P M 2
H29V H 0.7704 0.5775 0.5290 0.218 Uiso 0.617(10) 1 calc R . P M 2
H29W H 0.7480 0.6172 0.5052 0.218 Uiso 0.617(10) 1 calc R . P M 2
C29L C 0.5014(2) 0.7059(5) 0.4552(2) 0.106(2) Uani 0.499(4) 1 d D . P B 1
H29X H 0.4889 0.6942 0.4539 0.127 Uiso 0.499(4) 1 calc R . P B 1
H29Y H 0.5038 0.6682 0.4444 0.127 Uiso 0.499(4) 1 calc R . P B 1
C30A C 0.69897(14) 0.6954(5) 0.3873(3) 0.161(4) Uani 0.605(6) 1 d D . P C 2
H30A H 0.6941 0.7032 0.3644 0.193 Uiso 0.605(6) 1 calc R . P C 2
H30B H 0.6885 0.6647 0.3862 0.193 Uiso 0.605(6) 1 calc R . P C 2
C30B C 0.5228(2) 0.9374(6) 0.5672(5) 0.175(8) Uani 0.638(15) 1 d D . P N 2
H30C H 0.5157 0.9326 0.5435 0.262 Uiso 0.638(15) 1 calc GR . P N 2
H30D H 0.5319 0.9795 0.5759 0.262 Uiso 0.638(15) 1 calc GR . P N 2
H30E H 0.5121 0.9423 0.5706 0.262 Uiso 0.638(15) 1 calc GR . P N 2
C30C C 0.55393(16) 0.4470(4) 0.2341(5) 0.184(4) Uani 0.402(6) 1 d D . P D 2
H30F H 0.5672 0.4406 0.2571 0.221 Uiso 0.402(6) 1 calc R . P D 2
H30G H 0.5578 0.4563 0.2195 0.221 Uiso 0.402(6) 1 calc R . P D 2
C30D C 0.7177(3) 0.1656(6) 0.6248(5) 0.210(9) Uani 0.483(9) 1 d D . P A 2
H30H H 0.7223 0.1354 0.6148 0.315 Uiso 0.483(9) 1 calc GR . P A 2
H30I H 0.7059 0.1428 0.6225 0.315 Uiso 0.483(9) 1 calc GR . P A 2
H30J H 0.7295 0.1726 0.6484 0.315 Uiso 0.483(9) 1 calc GR . P A 2
C30F C 0.52113(13) 0.1941(6) 0.49391(18) 0.160(4) Uani 0.477(12) 1 d D U P E 2
H30K H 0.5058 0.1851 0.4764 0.192 Uiso 0.477(12) 1 calc R . P E 2
H30L H 0.5226 0.2362 0.5068 0.192 Uiso 0.477(12) 1 calc R . P E 2
C30G C 0.58965(16) 0.8326(5) 0.7346(2) 0.211(4) Uani 0.397(8) 1 d D . P F 2
H30M H 0.6048 0.8463 0.7504 0.253 Uiso 0.397(8) 1 calc R . P F 2
H30N H 0.5866 0.7987 0.7458 0.253 Uiso 0.397(8) 1 calc R . P F 2
C30H C 0.62992(12) 1.0629(6) 0.5032(2) 0.170(4) Uani 0.457(7) 1 d D . P J 2
H30O H 0.6363 1.0818 0.5256 0.204 Uiso 0.457(7) 1 calc R . P J 2
H30P H 0.6389 1.0235 0.5056 0.204 Uiso 0.457(7) 1 calc R . P J 2
C30I C 0.58758(12) 0.0901(6) 0.6457(2) 0.122(3) Uani 0.316(7) 1 d D U P G 2
H30Q H 0.5825 0.0705 0.6239 0.146 Uiso 0.316(7) 1 calc R . P G 2
H30R H 0.5992 0.0593 0.6634 0.146 Uiso 0.316(7) 1 calc R . P G 2
C30J C 0.69972(17) 0.7116(5) 0.4849(4) 0.193(3) Uani 0.601(7) 1 d D U P H 2
H30S H 0.7072 0.7027 0.4756 0.231 Uiso 0.601(7) 1 calc R . P H 2
H30T H 0.7070 0.6826 0.5054 0.231 Uiso 0.601(7) 1 calc R . P H 2
C30K C 0.75074(19) 0.5333(5) 0.48154(19) 0.189(5) Uani 0.617(10) 1 d D . P M 2
H30U H 0.7353 0.5348 0.4630 0.227 Uiso 0.617(10) 1 calc R . P M 2
H30V H 0.7579 0.5607 0.4746 0.227 Uiso 0.617(10) 1 calc R . P M 2
C30L C 0.52104(17) 0.7217(7) 0.49052(17) 0.108(3) Uani 0.499(4) 1 d D . P B 1
H30W H 0.5338 0.7113 0.4925 0.130 Uiso 0.499(4) 1 calc R . P B 1
H30X H 0.5213 0.7728 0.4952 0.130 Uiso 0.499(4) 1 calc R . P B 1
C31A C 0.70092(14) 0.7663(5) 0.4034(3) 0.144(3) Uani 0.605(6) 1 d D . P C 2
H31A H 0.7113 0.7965 0.4042 0.172 Uiso 0.605(6) 1 calc R . P C 2
H31B H 0.7063 0.7579 0.4265 0.172 Uiso 0.605(6) 1 calc R . P C 2
C31C C 0.54173(16) 0.5106(4) 0.2331(4) 0.161(4) Uani 0.402(6) 1 d D . P D 2
H31C H 0.5374 0.5009 0.2471 0.193 Uiso 0.402(6) 1 calc R . P D 2
H31D H 0.5288 0.5184 0.2100 0.193 Uiso 0.402(6) 1 calc R . P D 2
C31F C 0.54271(11) 0.4050(6) 0.36856(18) 0.154(3) Uani 0.418(9) 1 d D U P K 2
H31E H 0.5570 0.3946 0.3895 0.185 Uiso 0.418(9) 1 calc R . P K 2
H31F H 0.5381 0.3632 0.3539 0.185 Uiso 0.418(9) 1 calc R . P K 2
C31G C 0.58533(14) 0.7973(6) 0.7039(2) 0.179(4) Uani 0.397(8) 1 d D . P F 2
H31G H 0.5833 0.8342 0.6884 0.215 Uiso 0.397(8) 1 calc R . P F 2
H31H H 0.5722 0.7687 0.6921 0.215 Uiso 0.397(8) 1 calc R . P F 2
C31H C 0.62858(12) 1.1216(5) 0.4812(3) 0.187(4) Uani 0.457(7) 1 d D . P J 2
H31I H 0.6238 1.1010 0.4598 0.225 Uiso 0.457(7) 1 calc R . P J 2
H31J H 0.6181 1.1576 0.4765 0.225 Uiso 0.457(7) 1 calc R . P J 2
C31I C 0.59594(15) 0.1667(5) 0.6497(4) 0.105(3) Uani 0.316(7) 1 d D U P G 2
H31K H 0.5835 0.1942 0.6436 0.126 Uiso 0.316(7) 1 calc R . P G 2
H31L H 0.5953 0.1699 0.6298 0.126 Uiso 0.316(7) 1 calc R . P G 2
C31J C 0.67760(16) 0.6785(5) 0.4602(4) 0.186(3) Uani 0.601(7) 1 d D U P H 2
H31M H 0.6701 0.7018 0.4383 0.223 Uiso 0.601(7) 1 calc R . P H 2
H31N H 0.6692 0.6859 0.4681 0.223 Uiso 0.601(7) 1 calc R . P H 2
C31K C 0.7581(3) 0.4564(5) 0.4871(4) 0.202(8) Uani 0.617(10) 1 d D . P M 2
H31O H 0.7460 0.4256 0.4719 0.303 Uiso 0.617(10) 1 calc GR . P M 2
H31P H 0.7647 0.4428 0.5101 0.303 Uiso 0.617(10) 1 calc GR . P M 2
H31Q H 0.7685 0.4515 0.4831 0.303 Uiso 0.617(10) 1 calc GR . P M 2
C31L C 0.52179(18) 0.6786(7) 0.51621(17) 0.119(3) Uani 0.499(4) 1 d D . P B 1
H31R H 0.5242 0.6278 0.5148 0.143 Uiso 0.499(4) 1 calc R . P B 1
H31S H 0.5084 0.6836 0.5131 0.143 Uiso 0.499(4) 1 calc R . P B 1
C32A C 0.67944(13) 0.8056(4) 0.3842(3) 0.119(3) Uani 0.605(6) 1 d D . P C 2
H32A H 0.6722 0.8044 0.3600 0.142 Uiso 0.605(6) 1 calc R . P C 2
H32B H 0.6702 0.7829 0.3883 0.142 Uiso 0.605(6) 1 calc R . P C 2
C32C C 0.55573(15) 0.5780(4) 0.2459(4) 0.136(3) Uani 0.402(6) 1 d D . P D 2
H32C H 0.5687 0.5708 0.2691 0.163 Uiso 0.402(6) 1 calc R . P D 2
H32D H 0.5600 0.5884 0.2319 0.163 Uiso 0.402(6) 1 calc R . P D 2
C32F C 0.54434(11) 0.4685(6) 0.35191(17) 0.155(3) Uani 0.418(9) 1 d D U P K 2
H32E H 0.5522 0.5076 0.3681 0.186 Uiso 0.418(9) 1 calc R . P K 2
H32F H 0.5300 0.4860 0.3333 0.186 Uiso 0.418(9) 1 calc R . P K 2
C32G C 0.60412(13) 0.7492(5) 0.7147(3) 0.157(3) Uani 0.397(8) 1 d D . P F 2
H32G H 0.6041 0.7411 0.6955 0.188 Uiso 0.397(8) 1 calc R . P F 2
H32H H 0.6176 0.7730 0.7324 0.188 Uiso 0.397(8) 1 calc R . P F 2
C32H C 0.65020(15) 1.1570(5) 0.4984(5) 0.202(5) Uani 0.457(7) 1 d D . P J 2
H32I H 0.6557 1.1463 0.4861 0.243 Uiso 0.457(7) 1 calc R . P J 2
H32J H 0.6604 1.1385 0.5213 0.243 Uiso 0.457(7) 1 calc R . P J 2
C32I C 0.61394(11) 0.2208(7) 0.6728(4) 0.096(2) Uani 0.316(7) 1 d D U P G 2
H32K H 0.6096 0.2680 0.6621 0.115 Uiso 0.316(7) 1 calc R . P G 2
H32L H 0.6159 0.2246 0.6938 0.115 Uiso 0.316(7) 1 calc R . P G 2
C32J C 0.67980(16) 0.5984(5) 0.4568(4) 0.178(3) Uani 0.601(7) 1 d D U P H 2
H32M H 0.6878 0.5912 0.4482 0.214 Uiso 0.601(7) 1 calc R . P H 2
H32N H 0.6878 0.5756 0.4789 0.214 Uiso 0.601(7) 1 calc R . P H 2
C32L C 0.5407(2) 0.7104(7) 0.54992(19) 0.119(3) Uani 0.499(4) 1 d D . P B 1
H32O H 0.5524 0.7206 0.5492 0.142 Uiso 0.499(4) 1 calc R . P B 1
H32P H 0.5362 0.7558 0.5537 0.142 Uiso 0.499(4) 1 calc R . P B 1
C33A C 0.68418(18) 0.8815(4) 0.3965(3) 0.106(2) Uani 0.605(6) 1 d D . P C 2
H33A H 0.6921 0.8802 0.4209 0.127 Uiso 0.605(6) 1 calc R . P C 2
H33B H 0.6938 0.9017 0.3926 0.127 Uiso 0.605(6) 1 calc R . P C 2
C33C C 0.54266(15) 0.6397(4) 0.2442(3) 0.119(3) Uani 0.402(6) 1 d D . P D 2
H33C H 0.5365 0.6249 0.2552 0.143 Uiso 0.402(6) 1 calc R . P D 2
H33D H 0.5307 0.6495 0.2206 0.143 Uiso 0.402(6) 1 calc R . P D 2
C33F C 0.55625(12) 0.4427(7) 0.33882(17) 0.164(4) Uani 0.418(9) 1 d D U P K 2
H33E H 0.5714 0.4343 0.3577 0.197 Uiso 0.418(9) 1 calc R . P K 2
H33F H 0.5500 0.3975 0.3266 0.197 Uiso 0.418(9) 1 calc R . P K 2
C33G C 0.63968(10) 0.6728(6) 0.7475(4) 0.114(3) Uani 0.445(5) 1 d D U P I 2
H33G H 0.6439 0.7039 0.7663 0.137 Uiso 0.445(5) 1 calc R . P I 2
H33H H 0.6351 0.7033 0.7284 0.137 Uiso 0.445(5) 1 calc R . P I 2
C33H C 0.6477(4) 1.2377(5) 0.4994(8) 0.213(9) Uani 0.457(7) 1 d D . P J 2
H33I H 0.6374 1.2556 0.4767 0.319 Uiso 0.457(7) 1 calc GR . P J 2
H33J H 0.6614 1.2608 0.5098 0.319 Uiso 0.457(7) 1 calc GR . P J 2
H33K H 0.6428 1.2480 0.5123 0.319 Uiso 0.457(7) 1 calc GR . P J 2
C33I C 0.70191(9) 0.1476(8) 0.72003(17) 0.153(3) Uani 0.586(11) 1 d D . P L 2
H33L H 0.6998 0.0985 0.7244 0.183 Uiso 0.586(11) 1 calc R . P L 2
H33M H 0.7136 0.1695 0.7414 0.183 Uiso 0.586(11) 1 calc R . P L 2
C33J C 0.65792(16) 0.5645(5) 0.4333(5) 0.173(3) Uani 0.601(7) 1 d D U P H 2
H33N H 0.6507 0.5820 0.4104 0.208 Uiso 0.601(7) 1 calc R . P H 2
H33O H 0.6492 0.5776 0.4400 0.208 Uiso 0.601(7) 1 calc R . P H 2
C33L C 0.5484(2) 0.6603(7) 0.5785(2) 0.116(4) Uani 0.499(4) 1 d D . P B 1
H33P H 0.5554 0.6194 0.5773 0.173 Uiso 0.499(4) 1 calc GR . P B 1
H33Q H 0.5363 0.6440 0.5772 0.173 Uiso 0.499(4) 1 calc GR . P B 1
H33R H 0.5584 0.6851 0.5996 0.173 Uiso 0.499(4) 1 calc GR . P B 1
C34A C 0.66605(18) 0.9325(5) 0.3823(2) 0.101(2) Uani 0.605(6) 1 d D . P C 2
C34C C 0.55525(14) 0.7085(4) 0.2605(3) 0.110(2) Uani 0.402(6) 1 d D . P D 2
C34F C 0.5544(2) 0.4996(8) 0.3157(2) 0.194(8) Uani 0.418(9) 1 d D U P K 2
H34A H 0.5401 0.4985 0.2944 0.290 Uiso 0.418(9) 1 calc GR . P K 2
H34B H 0.5648 0.4900 0.3120 0.290 Uiso 0.418(9) 1 calc GR . P K 2
H34C H 0.5571 0.5464 0.3259 0.290 Uiso 0.418(9) 1 calc GR . P K 2
C34G C 0.65875(10) 0.6272(6) 0.7576(4) 0.124(3) Uani 0.445(5) 1 d D U P I 2
H34D H 0.6616 0.5907 0.7737 0.149 Uiso 0.445(5) 1 calc R . P I 2
H34E H 0.6553 0.6026 0.7377 0.149 Uiso 0.445(5) 1 calc R . P I 2
C34I C 0.70725(10) 0.1468(11) 0.69568(19) 0.177(4) Uani 0.586(11) 1 d D . P L 2
H34F H 0.6999 0.1068 0.6799 0.212 Uiso 0.586(11) 1 calc R . P L 2
H34G H 0.7026 0.1916 0.6829 0.212 Uiso 0.586(11) 1 calc R . P L 2
C34J C 0.66024(15) 0.4832(5) 0.4341(4) 0.166(3) Uani 0.601(7) 1 d D U P H 2
C34L C 0.4611(3) 0.9840(14) 0.2901(3) 0.209(6) Uani 0.501(4) 1 d D U P B 2
H34H H 0.4517 1.0253 0.2798 0.314 Uiso 0.501(4) 1 calc GR . P B 2
H34I H 0.4534 0.9442 0.2905 0.314 Uiso 0.501(4) 1 calc GR . P B 2
H34J H 0.4659 0.9707 0.2773 0.314 Uiso 0.501(4) 1 calc GR . P B 2
C35A C 0.67607(15) 0.9985(4) 0.4049(3) 0.124(3) Uani 0.605(6) 1 d D . P C 2
H35A H 0.6836 0.9829 0.4282 0.148 Uiso 0.605(6) 1 calc R . P C 2
H35B H 0.6868 1.0180 0.4032 0.148 Uiso 0.605(6) 1 calc R . P C 2
C35C C 0.54082(14) 0.7626(4) 0.2604(3) 0.113(2) Uani 0.402(6) 1 d D . P D 2
H35C H 0.5284 0.7723 0.2371 0.136 Uiso 0.402(6) 1 calc R . P D 2
H35D H 0.5355 0.7412 0.2716 0.136 Uiso 0.402(6) 1 calc R . P D 2
C35G C 0.67862(10) 0.6730(6) 0.7730(4) 0.139(3) Uani 0.445(5) 1 d D U P I 2
H35E H 0.6818 0.6989 0.7924 0.167 Uiso 0.445(5) 1 calc R . P I 2
H35F H 0.6760 0.7084 0.7566 0.167 Uiso 0.445(5) 1 calc R . P I 2
C35I C 0.73158(11) 0.1384(6) 0.7167(3) 0.194(5) Uani 0.586(11) 1 d D . P L 2
H35G H 0.7355 0.1239 0.7025 0.233 Uiso 0.586(11) 1 calc R . P L 2
H35H H 0.7370 0.1025 0.7344 0.233 Uiso 0.586(11) 1 calc R . P L 2
C35J C 0.63674(15) 0.4692(5) 0.4050(4) 0.179(3) Uani 0.601(7) 1 d D U P H 2
H35I H 0.6278 0.4985 0.4079 0.214 Uiso 0.601(7) 1 calc R . P H 2
H35J H 0.6338 0.4835 0.3840 0.214 Uiso 0.601(7) 1 calc R . P H 2
C35L C 0.4805(3) 1.0027(6) 0.3260(3) 0.176(3) Uani 0.501(4) 1 d D U P B 2
H35K H 0.4903 1.0334 0.3255 0.211 Uiso 0.501(4) 1 calc R . P B 2
H35L H 0.4757 1.0294 0.3369 0.211 Uiso 0.501(4) 1 calc R . P B 2
C36A C 0.66120(16) 1.0577(4) 0.3979(3) 0.158(3) Uani 0.605(6) 1 d D . P C 2
H36A H 0.6518 1.0419 0.4031 0.190 Uiso 0.605(6) 1 calc R . P C 2
H36B H 0.6523 1.0708 0.3741 0.190 Uiso 0.605(6) 1 calc R . P C 2
C36C C 0.55168(14) 0.8326(4) 0.2774(3) 0.127(3) Uani 0.402(6) 1 d D . P D 2
H36C H 0.5560 0.8562 0.2651 0.152 Uiso 0.402(6) 1 calc R . P D 2
H36D H 0.5647 0.8230 0.3002 0.152 Uiso 0.402(6) 1 calc R . P D 2
C36G C 0.69775(11) 0.6267(6) 0.7841(5) 0.153(3) Uani 0.445(5) 1 d D U P I 2
H36E H 0.6953 0.6043 0.7644 0.183 Uiso 0.445(5) 1 calc R . P I 2
H36F H 0.6997 0.5886 0.7991 0.183 Uiso 0.445(5) 1 calc R . P I 2
C36I C 0.7407(3) 0.2134(6) 0.7320(6) 0.249(9) Uani 0.586(11) 1 d D . P L 2
H36G H 0.7412 0.2420 0.7166 0.373 Uiso 0.586(11) 1 calc GR . P L 2
H36H H 0.7551 0.2083 0.7531 0.373 Uiso 0.586(11) 1 calc GR . P L 2
H36I H 0.7316 0.2368 0.7361 0.373 Uiso 0.586(11) 1 calc GR . P L 2
C36J C 0.63093(15) 0.3906(5) 0.4029(5) 0.192(3) Uani 0.601(7) 1 d D U P H 2
H36J H 0.6340 0.3755 0.4240 0.230 Uiso 0.601(7) 1 calc R . P H 2
H36K H 0.6394 0.3609 0.3992 0.230 Uiso 0.601(7) 1 calc R . P H 2
C36L C 0.49216(16) 0.9354(6) 0.34592(18) 0.163(3) Uani 0.501(4) 1 d D U P B 2
H36L H 0.5074 0.9401 0.3566 0.196 Uiso 0.501(4) 1 calc R . P B 2
H36M H 0.4865 0.8942 0.3307 0.196 Uiso 0.501(4) 1 calc R . P B 2
C37A C 0.6743(2) 1.1230(5) 0.41964(19) 0.192(4) Uani 0.605(6) 1 d D . P C 2
H37A H 0.6864 1.1300 0.4193 0.230 Uiso 0.605(6) 1 calc R . P C 2
H37B H 0.6653 1.1659 0.4101 0.230 Uiso 0.605(6) 1 calc R . P C 2
C37C C 0.53723(15) 0.8829(4) 0.2789(3) 0.144(3) Uani 0.402(6) 1 d D . P D 2
H37C H 0.5224 0.8766 0.2586 0.173 Uiso 0.402(6) 1 calc R . P D 2
H37D H 0.5380 0.8706 0.2983 0.173 Uiso 0.402(6) 1 calc R . P D 2
C37G C 0.71766(11) 0.6738(7) 0.8022(4) 0.165(3) Uani 0.445(5) 1 d D U P I 2
H37E H 0.7146 0.7168 0.7889 0.198 Uiso 0.445(5) 1 calc R . P I 2
H37F H 0.7216 0.6889 0.8239 0.198 Uiso 0.445(5) 1 calc R . P I 2
C37J C 0.60691(14) 0.3808(6) 0.3737(4) 0.210(4) Uani 0.601(7) 1 d D U P H 2
H37G H 0.5988 0.4216 0.3726 0.252 Uiso 0.601(7) 1 calc R . P H 2
H37H H 0.6046 0.3779 0.3524 0.252 Uiso 0.601(7) 1 calc R . P H 2
C37L C 0.48947(16) 0.9224(5) 0.37301(18) 0.146(3) Uani 0.501(4) 1 d D U P B 2
H37I H 0.5003 0.9491 0.3935 0.175 Uiso 0.501(4) 1 calc R . P B 2
H37J H 0.4752 0.9375 0.3650 0.175 Uiso 0.501(4) 1 calc R . P B 2
C38A C 0.6827(3) 1.1140(6) 0.45549(18) 0.220(4) Uani 0.605(6) 1 d D . P C 2
H38A H 0.6931 1.0746 0.4660 0.264 Uiso 0.605(6) 1 calc R . P C 2
H38B H 0.6709 1.1016 0.4558 0.264 Uiso 0.605(6) 1 calc R . P C 2
C38C C 0.5438(3) 0.9606(5) 0.2815(2) 0.161(4) Uani 0.402(6) 1 d D . P D 2
H38C H 0.5530 0.9644 0.2749 0.194 Uiso 0.402(6) 1 calc R . P D 2
H38D H 0.5309 0.9895 0.2657 0.194 Uiso 0.402(6) 1 calc R . P D 2
C38G C 0.73606(13) 0.6333(10) 0.8079(4) 0.184(6) Uani 0.445(5) 1 d D U P I 2
H38E H 0.7325 0.6210 0.7864 0.276 Uiso 0.445(5) 1 calc GR . P I 2
H38F H 0.7387 0.5898 0.8204 0.276 Uiso 0.445(5) 1 calc GR . P I 2
H38G H 0.7488 0.6630 0.8205 0.276 Uiso 0.445(5) 1 calc GR . P I 2
C38J C 0.59950(14) 0.3114(6) 0.3798(4) 0.236(4) Uani 0.601(7) 1 d D U P H 2
H38H H 0.6090 0.2727 0.3833 0.284 Uiso 0.601(7) 1 calc R . P H 2
H38I H 0.6014 0.3169 0.4007 0.284 Uiso 0.601(7) 1 calc R . P H 2
C38L C 0.49240(19) 0.8413(5) 0.37969(18) 0.130(3) Uani 0.501(4) 1 d D U P B 2
H38J H 0.4797 0.8155 0.3611 0.155 Uiso 0.501(4) 1 calc R . P B 2
H38K H 0.5049 0.8244 0.3819 0.155 Uiso 0.501(4) 1 calc R . P B 2
C39A C 0.6935(4) 1.1830(6) 0.4756(2) 0.232(5) Uani 0.605(6) 1 d D . P C 2
H39A H 0.7023 1.2033 0.4700 0.278 Uiso 0.605(6) 1 calc R . P C 2
H39B H 0.6825 1.2183 0.4696 0.278 Uiso 0.605(6) 1 calc R . P C 2
C39C C 0.5555(2) 0.9909(6) 0.3165(2) 0.185(5) Uani 0.402(6) 1 d D . P D 2
H39C H 0.5651 0.9543 0.3331 0.222 Uiso 0.402(6) 1 calc R . P D 2
H39D H 0.5452 1.0043 0.3201 0.222 Uiso 0.402(6) 1 calc R . P D 2
C39J C 0.57655(16) 0.2881(6) 0.3525(3) 0.252(5) Uani 0.601(7) 1 d D U P H 2
H39E H 0.5667 0.3264 0.3482 0.302 Uiso 0.601(7) 1 calc R . P H 2
H39F H 0.5745 0.2786 0.3317 0.302 Uiso 0.601(7) 1 calc R . P H 2
C39L C 0.49556(19) 0.8285(5) 0.41135(17) 0.116(3) Uani 0.501(4) 1 d D U P B 2
H39G H 0.4826 0.8429 0.4082 0.139 Uiso 0.501(4) 1 calc R . P B 2
H39H H 0.5073 0.8588 0.4291 0.139 Uiso 0.501(4) 1 calc R . P B 2
C40A C 0.7075(5) 1.1673(13) 0.5132(2) 0.269(10) Uani 0.605(6) 1 d D . P C 2
H40A H 0.7175 1.1293 0.5187 0.404 Uiso 0.605(6) 1 calc GR . P C 2
H40B H 0.6985 1.1523 0.5191 0.404 Uiso 0.605(6) 1 calc GR . P C 2
H40C H 0.7153 1.2102 0.5256 0.404 Uiso 0.605(6) 1 calc GR . P C 2
C40C C 0.5687(2) 1.0571(6) 0.3211(6) 0.234(9) Uani 0.402(6) 1 d D . P D 2
H40D H 0.5672 1.0649 0.3009 0.351 Uiso 0.402(6) 1 calc GR . P D 2
H40E H 0.5837 1.0493 0.3399 0.351 Uiso 0.402(6) 1 calc GR . P D 2
H40F H 0.5635 1.0989 0.3255 0.351 Uiso 0.402(6) 1 calc GR . P D 2
C40J C 0.5719(2) 0.2209(6) 0.3638(3) 0.262(9) Uani 0.601(7) 1 d D U P H 2
H40G H 0.5721 0.1796 0.3524 0.393 Uiso 0.601(7) 1 calc GR . P H 2
H40H H 0.5579 0.2250 0.3583 0.393 Uiso 0.601(7) 1 calc GR . P H 2
H40I H 0.5827 0.2152 0.3878 0.393 Uiso 0.601(7) 1 calc GR . P H 2
C40L C 0.50051(11) 0.7516(4) 0.42259(15) 0.109(2) Uani 0.501(4) 1 d D U P B 2
C41L C 0.5130(2) 0.7689(6) 0.46042(17) 0.121(3) Uani 0.501(4) 1 d D U P B 2
H41A H 0.5273 0.7869 0.4702 0.145 Uiso 0.501(4) 1 calc R . P B 2
H41B H 0.5053 0.8056 0.4632 0.145 Uiso 0.501(4) 1 calc R . P B 2
C42L C 0.5145(2) 0.7012(5) 0.47736(16) 0.106(2) Uani 0.501(4) 1 d D U P B 2
H42A H 0.5235 0.6665 0.4769 0.127 Uiso 0.501(4) 1 calc R . P B 2
H42B H 0.5002 0.6802 0.4658 0.127 Uiso 0.501(4) 1 calc R . P B 2
C43L C 0.5241(2) 0.7191(6) 0.51308(16) 0.108(3) Uani 0.501(4) 1 d D U P B 2
H43A H 0.5130 0.7411 0.5132 0.130 Uiso 0.501(4) 1 calc R . P B 2
H43B H 0.5353 0.7552 0.5213 0.130 Uiso 0.501(4) 1 calc R . P B 2
C44L C 0.5337(2) 0.6573(6) 0.53746(16) 0.119(3) Uani 0.501(4) 1 d D U P B 2
H44A H 0.5475 0.6435 0.5430 0.143 Uiso 0.501(4) 1 calc R . P B 2
H44B H 0.5241 0.6158 0.5274 0.143 Uiso 0.501(4) 1 calc R . P B 2
C45L C 0.53692(16) 0.6810(10) 0.56903(17) 0.119(3) Uani 0.501(4) 1 d D U P B 2
H45A H 0.5294 0.7266 0.5639 0.142 Uiso 0.501(4) 1 calc R . P B 2
H45B H 0.5297 0.6459 0.5732 0.142 Uiso 0.501(4) 1 calc R . P B 2
C46L C 0.55912(18) 0.6906(12) 0.6012(3) 0.116(4) Uani 0.501(4) 1 d D U P B 2
H46C H 0.5686 0.7059 0.5964 0.173 Uiso 0.501(4) 1 calc GR . P B 2
H46D H 0.5642 0.6456 0.6134 0.173 Uiso 0.501(4) 1 calc GR . P B 2
H46E H 0.5590 0.7267 0.6149 0.173 Uiso 0.501(4) 1 calc GR . P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Au2 3.2618(6) . ?
Au1 Ag1 3.3264(8) . ?
Au1 Ag2 3.1229(7) . ?
Au1 C1B 1.980(8) . ?
Au1 C27A 1.966(7) . ?
Au2 Au3 3.1733(5) . ?
Au2 Ag1 2.8821(8) . ?
Au2 Ag2 2.9313(6) . ?
Au2 Ag3 2.9218(8) . ?
Au2 Ag5 3.0451(8) . ?
Au2 Ag6 3.1118(7) . ?
Au2 C1K 2.029(6) . ?
Au2 C1L 2.020(7) . ?
Au3 Ag3 3.0058(8) . ?
Au3 C1C 1.994(9) . ?
Au3 C1D 2.005(9) . ?
Au4 Au5 3.2067(6) . ?
Au4 Ag4 3.3468(7) . ?
Au4 Ag5 3.0940(8) . ?
Au4 C1G 1.966(9) . ?
Au4 C1H 1.997(8) . ?
Au5 Au6 3.1889(5) . ?
Au5 Ag2 3.1139(8) . ?
Au5 Ag3 3.0978(7) . ?
Au5 Ag4 2.8840(8) . ?
Au5 Ag5 2.9069(6) . ?
Au5 Ag6 2.8969(10) . ?
Au5 C1E 1.976(7) . ?
Au5 C1F 2.005(6) . ?
Au6 Ag6 3.0631(9) . ?
Au6 C1I 1.952(12) . ?
Au6 C1J 2.036(11) . ?
Ag1 C1C 2.264(9) . ?
Ag1 C2C 2.374(9) . ?
Ag1 C26A 2.457(9) . ?
Ag1 C27A 2.196(8) . ?
Ag2 Ag5 3.2289(7) . ?
Ag2 C1B 2.244(8) . ?
Ag2 C1E 2.300(7) . ?
Ag2 C2B 2.561(8) . ?
Ag2 C2E 2.545(6) . ?
Ag3 Ag5 3.3710(10) . ?
Ag3 Ag6 3.1217(7) . ?
Ag3 C1D 2.260(9) . ?
Ag3 C1F 2.265(9) . ?
Ag3 C2D 2.584(10) . ?
Ag3 C2F 2.547(8) . ?
Ag4 C1G 2.211(10) . ?
Ag4 C1I 2.291(9) . ?
Ag4 C2G 2.439(9) . ?
Ag4 C2I 2.372(7) . ?
Ag5 C1H 2.292(9) . ?
Ag5 C1L 2.262(8) . ?
Ag5 C2H 2.589(8) . ?
Ag5 C2L 2.533(5) . ?
Ag6 C1J 2.250(8) . ?
Ag6 C1K 2.320(8) . ?
Ag6 C2J 2.537(9) . ?
Ag6 C2K 2.557(9) . ?
C1A C2A 1.387(13) . ?
C1A C6A 1.378(9) . ?
C1A C19A 1.469(16) . ?
C1A C34A 1.518(13) . ?
C1B C2B 1.228(11) . ?
C1C C2C 1.170(12) . ?
C1D C2D 1.245(13) . ?
C1E C2E 1.232(9) . ?
C1F C2F 1.215(8) . ?
C1G C2G 1.215(12) . ?
C1H C2H 1.233(11) . ?
C1I C2I 1.217(16) . ?
C1J C2J 1.224(15) . ?
C1K C2K 1.202(7) . ?
C1L C2L 1.183(9) . ?
C2A C3A 1.388(10) . ?
C2B C5B 1.481(11) . ?
C2C C5C 1.465(13) . ?
C2D C5D 1.414(13) . ?
C2E C5E 1.457(9) . ?
C2F C5F 1.441(8) . ?
C2G C5G 1.467(13) . ?
C2H C3H 1.444(11) . ?
C2I C5I 1.456(15) . ?
C2J C5J 1.462(16) . ?
C2K C5K 1.418(7) . ?
C2L C5L 1.464(8) . ?
C3A C4A 1.352(11) . ?
C3B C4B 1.389(10) . ?
C3B C8B 1.391(9) . ?
C3B C15B 1.480(10) . ?
C3C C4C 1.389(13) . ?
C3C C8C 1.390(13) . ?
C3C C21C 1.521(10) . ?
C3C C34C 1.556(11) . ?
C3D C4D 1.372(13) . ?
C3D C8D 1.370(10) . ?
C3D C27D 1.501(13) . ?
C3E C4E 1.376(9) . ?
C3E C8E 1.416(10) . ?
C3E C21E 1.508(11) . ?
C3F C4F 1.397(8) . ?
C3F C8F 1.411(12) . ?
C3F C21F 1.506(12) . ?
C3G C4G 1.360(14) . ?
C3G C8G 1.393(13) . ?
C3G C21G 1.520(14) . ?
C3H C4H 1.392(13) . ?
C3H C8H 1.376(14) . ?
C3I C4I 1.352(13) . ?
C3I C8I 1.420(13) . ?
C3I C21I 1.576(12) . ?
C3J C4J 1.384(18) . ?
C3J C8J 1.336(15) . ?
C3J C21J 1.48(3) . ?
C3J C34J 1.48(2) . ?
C3K C4K 1.381(8) . ?
C3K C8K 1.379(11) . ?
C3K C21K 1.517(12) . ?
C3L C4L 1.374(9) . ?
C3L C8L 1.412(12) . ?
C3L C27L 1.614(13) . ?
C3L C40L 1.537(11) . ?
C4A C5A 1.395(15) . ?
C4B C5B 1.361(11) . ?
C4C C5C 1.398(8) . ?
C4D C5D 1.391(12) . ?
C4E C5E 1.398(11) . ?
C4F C5F 1.384(11) . ?
C4G C5G 1.401(13) . ?
C4H C5H 1.384(13) . ?
C4I C5I 1.404(12) . ?
C4J C5J 1.370(14) . ?
C4K C5K 1.396(11) . ?
C4L C5L 1.393(13) . ?
C5A C6A 1.389(9) . ?
C5B C6B 1.396(10) . ?
C5C C6C 1.382(13) . ?
C5D C6D 1.400(11) . ?
C5E C6E 1.378(10) . ?
C5F C6F 1.382(10) . ?
C5FB C28D 1.518(14) . ?
C5FB C29D 1.549(9) . ?
C5G C6G 1.392(13) . ?
C5H C6H 1.376(16) . ?
C5I C6I 1.374(14) . ?
C5J C6J 1.404(13) . ?
C5K C6K 1.390(11) . ?
C5L C6L 1.371(10) . ?
C6A C7A 1.475(12) . ?
C6B C7B 1.362(11) . ?
C6C C7C 1.339(13) . ?
C6D C7D 1.356(13) . ?
C6E C7E 1.376(10) . ?
C6F C7F 1.393(8) . ?
C6G C7G 1.369(13) . ?
C6H C7H 1.397(14) . ?
C6H C9H 1.436(13) . ?
C6I C7I 1.370(14) . ?
C6J C7J 1.422(19) . ?
C6K C7K 1.382(8) . ?
C6L C7L 1.348(9) . ?
C7A C8A 1.391(11) . ?
C7A C12A 1.397(7) . ?
C7B C8B 1.397(12) . ?
C7C C8C 1.385(8) . ?
C7D C8D 1.365(11) . ?
C7E C8E 1.360(11) . ?
C7F C8F 1.366(12) . ?
C7G C8G 1.386(12) . ?
C7H C8H 1.368(12) . ?
C7H C21H 1.502(15) . ?
C7I C8I 1.394(12) . ?
C7J C8J 1.407(16) . ?
C7K C8K 1.385(11) . ?
C7L C8L 1.366(14) . ?
C8A C9A 1.380(13) . ?
C8B C9B 1.457(11) . ?
C8C C9C 1.498(12) . ?
C8D C9D 1.474(13) . ?
C8E C9E 1.469(10) . ?
C8F C9F 1.470(9) . ?
C8G C9G 1.439(13) . ?
C8I C9I 1.466(13) . ?
C8J C9J 1.511(19) . ?
C8K C9K 1.454(8) . ?
C8L C9L 1.433(9) . ?
C8L C15L 1.578(12) . ?
C9A C10A 1.378(8) . ?
C9B C10B 1.375(10) . ?
C9B C14B 1.409(11) . ?
C9C C10C 1.367(15) . ?
C9C C14C 1.390(10) . ?
C9D C10D 1.366(11) . ?
C9D C14D 1.406(11) . ?
C9E C10E 1.404(10) . ?
C9E C14E 1.387(12) . ?
C9F C10F 1.371(12) . ?
C9F C14F 1.371(16) . ?
C9G C10G 1.368(16) . ?
C9G C14G 1.381(15) . ?
C9H C10H 1.360(14) . ?
C9H C14H 1.367(18) . ?
C9I C10I 1.397(14) . ?
C9I C14I 1.393(12) . ?
C9J C10J 1.411(18) . ?
C9J C14J 1.411(17) . ?
C9K C10K 1.389(11) . ?
C9K C14K 1.381(13) . ?
C9L C14L 1.3900 . ?
C9L C10L 1.3900 . ?
C14L C13L 1.3900 . ?
C14L C27L 1.576(10) . ?
C13L C12L 1.3900 . ?
C12L C11L 1.3900 . ?
C11L C10L 1.3900 . ?
C10A C11A 1.398(11) . ?
C10A C26A 1.520(11) . ?
C10B C11B 1.407(13) . ?
C10C C11C 1.400(13) . ?
C10D C11D 1.379(15) . ?
C10E C11E 1.384(13) . ?
C10F C11F 1.393(14) . ?
C10G C11G 1.372(17) . ?
C10H C11H 1.341(19) . ?
C10I C11I 1.360(15) . ?
C10J C11J 1.38(2) . ?
C10K C11K 1.372(10) . ?
C11A C12A 1.379(12) . ?
C11B C12B 1.376(14) . ?
C11C C12C 1.358(13) . ?
C11D C12D 1.370(13) . ?
C11E C12E 1.368(15) . ?
C11F C12F 1.35(2) . ?
C11G C12G 1.33(2) . ?
C11H C12H 1.37(2) . ?
C11I C12I 1.395(15) . ?
C11J C12J 1.43(2) . ?
C11K C12K 1.354(15) . ?
C12A C19A 1.561(17) . ?
C12A C34A 1.527(17) . ?
C12B C13B 1.379(11) . ?
C12C C13C 1.380(18) . ?
C12D C13D 1.396(13) . ?
C12E C13E 1.383(12) . ?
C12F C13F 1.384(17) . ?
C12G C13G 1.42(2) . ?
C12H C13H 1.371(17) . ?
C12I C13I 1.386(14) . ?
C12J C13J 1.38(2) . ?
C12K C13K 1.397(13) . ?
C13A C14A 1.551(14) . ?
C13B C14B 1.366(12) . ?
C13C C14C 1.382(12) . ?
C13D C14D 1.362(14) . ?
C13E C14E 1.387(11) . ?
C13F C14F 1.425(13) . ?
C13G C14G 1.447(17) . ?
C13H C14H 1.406(16) . ?
C13I C14I 1.371(13) . ?
C13J C14J 1.41(2) . ?
C13K C14K 1.383(10) . ?
C14A C15A 1.532(14) . ?
C14B C15B 1.511(9) . ?
C14C C21C 1.447(16) . ?
C14C C34C 1.612(19) . ?
C14D C27D 1.514(12) . ?
C14E C21E 1.539(10) . ?
C14F C21F 1.548(12) . ?
C14G C21G 1.500(15) . ?
C14H C21H 1.550(12) . ?
C14I C21I 1.554(14) . ?
C14J C21J 1.65(3) . ?
C14J C34J 1.52(2) . ?
C14K C21K 1.550(11) . ?
C15A C16A 1.537(12) . ?
C15B C21B 1.549(10) . ?
C15B C22B 1.540(8) . ?
C15C C16C 1.530(13) . ?
C15D C16D 1.518(12) . ?
C15E C16E 1.504(13) . ?
C15F C16F 1.540(14) . ?
C15G C16G 1.528(12) . ?
C15H C16H 1.505(14) . ?
C15I C16I 1.509(12) . ?
C15J C16J 1.544(14) . ?
C15K C16K 1.48(2) . ?
C15L C20L 1.3900 . ?
C15L C16L 1.3900 . ?
C20L C19L 1.3900 . ?
C20L C40L 1.508(10) . ?
C19L C18L 1.3900 . ?
C18L C17L 1.3900 . ?
C17L C16L 1.3899 . ?
C16A C17A 1.541(12) . ?
C16B C17B 1.548(18) . ?
C16C C17C 1.533(14) . ?
C16D C17D 1.497(15) . ?
C16E C17E 1.339(18) . ?
C16F C17F 1.537(12) . ?
C16G C17G 1.544(13) . ?
C16H C17H 1.471(15) . ?
C16I C17I 1.534(13) . ?
C16J C17J 1.540(13) . ?
C16K C17K 1.512(18) . ?
C17A C18A 1.523(12) . ?
C17B C18B 1.516(18) . ?
C17C C18C 1.535(12) . ?
C17D C18D 1.517(11) . ?
C17E C18E 1.45(2) . ?
C17F C18F 1.515(12) . ?
C17G C18G 1.534(13) . ?
C17H C18H 1.505(11) . ?
C17I C18I 1.531(11) . ?
C17J C18J 1.542(13) . ?
C17K C18K 1.532(19) . ?
C18A C19A 1.542(11) . ?
C18B C19B 1.522(13) . ?
C18C C19C 1.541(11) . ?
C18D C19D 1.528(14) . ?
C18E C19E 1.494(15) . ?
C18F C19F 1.568(13) . ?
C18F C30F 1.533(13) . ?
C18G C19G 1.545(13) . ?
C18H C19H 1.530(15) . ?
C18I C19I 1.551(10) . ?
C18J C19J 1.537(12) . ?
C18K C19K 1.501(16) . ?
C19A C20A 1.544(12) . ?
C19B C20B 1.518(13) . ?
C19C C20C 1.521(12) . ?
C19D C20D 1.515(11) . ?
C19E C20E 1.474(17) . ?
C19F C20F 1.502(19) . ?
C19G C20G 1.519(11) . ?
C19H C20H 1.523(11) . ?
C19I C20I 1.512(10) . ?
C19J C20J 1.529(13) . ?
C19K C20K 1.490(17) . ?
C20A C21A 1.535(12) . ?
C20B C21B 1.521(10) . ?
C20C C21C 1.539(10) . ?
C20D C27D 1.530(15) . ?
C20E C21E 1.539(13) . ?
C20F C21F 1.504(14) . ?
C20G C21G 1.577(12) . ?
C20G C32G 1.527(12) . ?
C20H C21H 1.538(15) . ?
C20I C21I 1.525(10) . ?
C20I C32I 1.532(12) . ?
C20J C21J 1.547(12) . ?
C20K C21K 1.527(16) . ?
C21A C22A 1.544(11) . ?
C21C C22C 1.540(12) . ?
C21D C22D 1.490(16) . ?
C21D C27D 1.549(10) . ?
C21E C22E 1.534(16) . ?
C21F C22F 1.496(17) . ?
C21G C22G 1.542(10) . ?
C21G C33G 1.539(12) . ?
C21H C22H 1.540(9) . ?
C21H C28H 1.557(10) . ?
C21I C22I 1.599(11) . ?
C21J C22J 1.546(13) . ?
C21K C22K 1.546(15) . ?
C21L C22L 1.531(13) . ?
C22A C25A 1.532(14) . ?
C22B C23B 1.503(11) . ?
C22C C23C 1.516(10) . ?
C22D C23D 1.551(9) . ?
C22D C28D 1.532(9) . ?
C22E C23E 1.480(14) . ?
C22F C23F 1.497(15) . ?
C22G C23G 1.528(12) . ?
C22H C23H 1.523(13) . ?
C22I C23I 1.505(15) . ?
C22J C23J 1.534(13) . ?
C22K C23K 1.483(15) . ?
C22L C23L 1.533(13) . ?
C23A C24A 1.548(14) . ?
C23A C25A 1.543(14) . ?
C23B C24B 1.503(8) . ?
C23C C24C 1.534(12) . ?
C23D C24D 1.559(13) . ?
C23E C24E 1.494(16) . ?
C23F C24F 1.533(12) . ?
C23F C31F 1.544(11) . ?
C23G C24G 1.541(11) . ?
C23H C24H 1.537(9) . ?
C23I C24I 1.554(10) . ?
C23I C33I 1.528(10) . ?
C23J C24J 1.551(13) . ?
C23K C24K 1.547(13) . ?
C23K C28K 1.570(11) . ?
C23L C24L 1.537(9) . ?
C24B C25B 1.511(10) . ?
C24B C28B 1.529(12) . ?
C24C C25C 1.538(11) . ?
C24D C25D 1.540(12) . ?
C24E C25E 1.461(13) . ?
C24F C25F 1.532(12) . ?
C24G C25G 1.534(12) . ?
C24H C25H 1.554(13) . ?
C24I C25I 1.524(13) . ?
C24J C25J 1.548(12) . ?
C24K C25K 1.527(9) . ?
C24L C25L 1.543(9) . ?
C25B C26B 1.530(9) . ?
C25C C26C 1.533(13) . ?
C25D C26D 1.548(13) . ?
C25E C26E 1.563(12) . ?
C25E C28E 1.544(13) . ?
C25F C26F 1.550(13) . ?
C25G C26G 1.533(12) . ?
C25H C26H 1.539(13) . ?
C25I C26I 1.543(13) . ?
C25J C46J 1.548(13) . ?
C25K C26K 1.541(14) . ?
C25L C26L 1.507(9) . ?
C26A C27A 1.185(11) . ?
C26B C27B 1.530(14) . ?
C26C C27C 1.531(12) . ?
C26E C27E 1.548(13) . ?
C26F C27F 1.552(12) . ?
C26G C27G 1.543(14) . ?
C26H C27H 1.526(15) . ?
C26I C27I 1.553(15) . ?
C46J C27J 1.548(15) . ?
C26K C27K 1.537(12) . ?
C26L C27L 1.556(11) . ?
C27L C28L 1.524(12) . ?
C28A C29A 1.544(14) . ?
C28B C29B 1.535(11) . ?
C28C C29C 1.537(14) . ?
C28E C29E 1.524(12) . ?
C28F C29F 1.547(13) . ?
C28G C29G 1.546(14) . ?
C28H C29H 1.533(13) . ?
C28I C29I 1.529(14) . ?
C28J C29J 1.540(13) . ?
C28K C29K 1.510(13) . ?
C28L C29L 1.542(12) . ?
C29A C30A 1.549(11) . ?
C29B C30B 1.520(13) . ?
C29C C30C 1.540(12) . ?
C29D C30D 1.525(14) . ?
C29F C30F 1.544(12) . ?
C29G C30G 1.547(13) . ?
C29H C30H 1.555(11) . ?
C29I C30I 1.535(13) . ?
C29J C30J 1.538(13) . ?
C29K C30K 1.541(12) . ?
C29L C30L 1.523(10) . ?
C30A C31A 1.526(12) . ?
C30C C31C 1.529(14) . ?
C30G C31G 1.537(13) . ?
C30H C31H 1.536(13) . ?
C30I C31I 1.551(12) . ?
C30J C31J 1.537(12) . ?
C30K C31K 1.524(12) . ?
C30L C31L 1.517(14) . ?
C31A C32A 1.547(11) . ?
C31C C32C 1.547(11) . ?
C31F C32F 1.523(13) . ?
C31G C32G 1.540(12) . ?
C31H C32H 1.531(12) . ?
C31I C32I 1.553(12) . ?
C31J C32J 1.542(12) . ?
C31L C32L 1.548(11) . ?
C32A C33A 1.514(11) . ?
C32C C33C 1.533(13) . ?
C32F C33F 1.550(13) . ?
C32H C33H 1.537(13) . ?
C32J C33J 1.526(12) . ?
C32L C33L 1.518(13) . ?
C33A C34A 1.503(15) . ?
C33C C34C 1.535(11) . ?
C33F C34F 1.535(14) . ?
C33G C34G 1.541(13) . ?
C33I C34I 1.552(12) . ?
C33J C34J 1.540(12) . ?
C34A C35A 1.544(11) . ?
C34C C35C 1.541(13) . ?
C34G C35G 1.534(12) . ?
C34I C35I 1.548(10) . ?
C34J C35J 1.540(11) . ?
C34L C35L 1.542(13) . ?
C35A C36A 1.507(12) . ?
C35C C36C 1.523(11) . ?
C35G C36G 1.538(13) . ?
C35I C36I 1.561(13) . ?
C35J C36J 1.537(12) . ?
C35L C36L 1.532(12) . ?
C36A C37A 1.552(12) . ?
C36C C37C 1.537(14) . ?
C36G C37G 1.539(12) . ?
C36J C37J 1.556(11) . ?
C36L C37L 1.552(14) . ?
C37A C38A 1.525(13) . ?
C37C C38C 1.533(12) . ?
C37G C38G 1.525(15) . ?
C37J C38J 1.546(14) . ?
C37L C38L 1.552(11) . ?
C38A C39A 1.548(13) . ?
C38C C39C 1.529(13) . ?
C38J C39J 1.534(11) . ?
C38L C39L 1.499(13) . ?
C39A C40A 1.544(12) . ?
C39C C40C 1.557(15) . ?
C39J C40J 1.531(15) . ?
C39L C40L 1.519(11) . ?
C40L C41L 1.570(10) . ?
C41L C42L 1.504(13) . ?
C42L C43L 1.521(11) . ?
C43L C44L 1.523(12) . ?
C44L C45L 1.539(13) . ?
C45L C46L 1.514(11) . ?

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
Au2 Au1 Ag1 51.873(16) . . ?
Ag2 Au1 Au2 54.608(13) . . ?
Ag2 Au1 Ag1 104.84(2) . . ?
C1B Au1 Au2 96.0(2) . . ?
C1B Au1 Ag1 147.6(2) . . ?
C1B Au1 Ag2 45.7(2) . . ?
C27A Au1 Au2 91.2(2) . . ?
C27A Au1 Ag1 39.4(2) . . ?
C27A Au1 Ag2 141.8(3) . . ?
C27A Au1 C1B 172.4(4) . . ?
Au3 Au2 Au1 137.002(16) . . ?
Ag1 Au2 Au1 65.218(18) . . ?
Ag1 Au2 Au3 71.879(19) . . ?
Ag1 Au2 Ag2 123.15(2) . . ?
Ag1 Au2 Ag3 130.22(2) . . ?
Ag1 Au2 Ag5 137.63(2) . . ?
Ag1 Au2 Ag6 125.53(2) . . ?
Ag2 Au2 Au1 60.283(15) . . ?
Ag2 Au2 Au3 156.303(17) . . ?
Ag2 Au2 Ag5 65.371(18) . . ?
Ag2 Au2 Ag6 69.160(19) . . ?
Ag3 Au2 Au1 163.78(2) . . ?
Ag3 Au2 Au3 58.924(17) . . ?
Ag3 Au2 Ag2 105.85(2) . . ?
Ag3 Au2 Ag5 68.76(2) . . ?
Ag3 Au2 Ag6 62.221(17) . . ?
Ag5 Au2 Au1 96.453(18) . . ?
Ag5 Au2 Au3 117.842(17) . . ?
Ag5 Au2 Ag6 96.74(2) . . ?
Ag6 Au2 Au1 115.233(15) . . ?
Ag6 Au2 Au3 87.215(18) . . ?
C1K Au2 Au1 76.0(2) . . ?
C1K Au2 Au3 97.8(2) . . ?
C1K Au2 Ag1 84.7(2) . . ?
C1K Au2 Ag2 68.1(2) . . ?
C1K Au2 Ag3 107.8(2) . . ?
C1K Au2 Ag5 129.7(2) . . ?
C1K Au2 Ag6 48.2(2) . . ?
C1L Au2 Au1 103.8(2) . . ?
C1L Au2 Au3 83.9(2) . . ?
C1L Au2 Ag1 97.3(2) . . ?
C1L Au2 Ag2 109.7(2) . . ?
C1L Au2 Ag3 71.8(2) . . ?
C1L Au2 Ag5 48.0(2) . . ?
C1L Au2 Ag6 130.6(2) . . ?
C1L Au2 C1K 177.7(3) . . ?
Ag3 Au3 Au2 56.360(17) . . ?
C1C Au3 Au2 85.6(2) . . ?
C1C Au3 Ag3 139.8(3) . . ?
C1C Au3 C1D 171.5(4) . . ?
C1D Au3 Au2 102.7(2) . . ?
C1D Au3 Ag3 48.7(3) . . ?
Au5 Au4 Ag4 52.164(16) . . ?
Ag5 Au4 Au5 54.916(14) . . ?
Ag5 Au4 Ag4 105.92(2) . . ?
C1G Au4 Au5 91.3(3) . . ?
C1G Au4 Ag4 39.3(3) . . ?
C1G Au4 Ag5 142.3(3) . . ?
C1G Au4 C1H 169.9(4) . . ?
C1H Au4 Au5 98.4(2) . . ?
C1H Au4 Ag4 149.9(2) . . ?
C1H Au4 Ag5 47.8(2) . . ?
Au6 Au5 Au4 136.170(17) . . ?
Ag2 Au5 Au4 95.191(18) . . ?
Ag2 Au5 Au6 117.710(17) . . ?
Ag3 Au5 Au4 114.465(15) . . ?
Ag3 Au5 Au6 90.437(17) . . ?
Ag3 Au5 Ag2 97.49(2) . . ?
Ag4 Au5 Au4 66.420(18) . . ?
Ag4 Au5 Au6 69.815(18) . . ?
Ag4 Au5 Ag2 134.67(2) . . ?
Ag4 Au5 Ag3 127.78(2) . . ?
Ag4 Au5 Ag5 125.30(2) . . ?
Ag4 Au5 Ag6 129.39(2) . . ?
Ag5 Au5 Au4 60.572(17) . . ?
Ag5 Au5 Au6 158.45(2) . . ?
Ag5 Au5 Ag2 64.755(17) . . ?
Ag5 Au5 Ag3 68.218(18) . . ?
Ag6 Au5 Au4 163.15(2) . . ?
Ag6 Au5 Au6 60.212(18) . . ?
Ag6 Au5 Ag2 69.55(2) . . ?
Ag6 Au5 Ag3 62.660(18) . . ?
Ag6 Au5 Ag5 104.93(2) . . ?
C1E Au5 Au4 102.8(3) . . ?
C1E Au5 Au6 82.7(2) . . ?
C1E Au5 Ag2 47.5(2) . . ?
C1E Au5 Ag3 131.5(3) . . ?
C1E Au5 Ag4 94.5(3) . . ?
C1E Au5 Ag5 108.90(19) . . ?
C1E Au5 Ag6 72.6(3) . . ?
C1E Au5 C1F 177.7(3) . . ?
C1F Au5 Au4 77.3(2) . . ?
C1F Au5 Au6 98.9(2) . . ?
C1F Au5 Ag2 130.2(2) . . ?
C1F Au5 Ag3 46.9(3) . . ?
C1F Au5 Ag4 87.7(2) . . ?
C1F Au5 Ag5 69.07(19) . . ?
C1F Au5 Ag6 106.6(3) . . ?
Ag6 Au6 Au5 55.163(18) . . ?
C1I Au6 Au5 88.6(2) . . ?
C1I Au6 Ag6 141.1(2) . . ?
C1I Au6 C1J 171.6(3) . . ?
C1J Au6 Au5 99.7(2) . . ?
C1J Au6 Ag6 47.3(2) . . ?
Au2 Ag1 Au1 62.908(17) . . ?
C1C Ag1 Au1 151.2(2) . . ?
C1C Ag1 Au2 88.4(2) . . ?
C1C Ag1 C2C 29.1(3) . . ?
C1C Ag1 C26A 145.3(3) . . ?
C2C Ag1 Au1 174.0(2) . . ?
C2C Ag1 Au2 117.1(3) . . ?
C2C Ag1 C26A 116.4(3) . . ?
C26A Ag1 Au1 63.45(18) . . ?
C26A Ag1 Au2 126.33(17) . . ?
C27A Ag1 Au1 34.6(2) . . ?
C27A Ag1 Au2 97.5(2) . . ?
C27A Ag1 C1C 174.0(3) . . ?
C27A Ag1 C2C 145.0(3) . . ?
C27A Ag1 C26A 28.8(3) . . ?
Au1 Ag2 Ag5 95.596(17) . . ?
Au2 Ag2 Au1 65.109(16) . . ?
Au2 Ag2 Au5 78.113(17) . . ?
Au2 Ag2 Ag5 59.015(16) . . ?
Au5 Ag2 Au1 141.795(18) . . ?
Au5 Ag2 Ag5 54.520(16) . . ?
C1B Ag2 Au1 39.2(2) . . ?
C1B Ag2 Au2 99.93(17) . . ?
C1B Ag2 Au5 151.48(19) . . ?
C1B Ag2 Ag5 99.73(16) . . ?
C1B Ag2 C1E 149.9(3) . . ?
C1B Ag2 C2B 28.6(3) . . ?
C1B Ag2 C2E 127.1(2) . . ?
C1E Ag2 Au1 166.8(2) . . ?
C1E Ag2 Au2 109.71(17) . . ?
C1E Ag2 Au5 39.33(16) . . ?
C1E Ag2 Ag5 91.40(19) . . ?
C1E Ag2 C2B 122.1(3) . . ?
C1E Ag2 C2E 28.9(2) . . ?
C2B Ag2 Au1 67.81(16) . . ?
C2B Ag2 Au2 124.69(12) . . ?
C2B Ag2 Au5 133.51(18) . . ?
C2B Ag2 Ag5 99.59(13) . . ?
C2E Ag2 Au1 145.5(2) . . ?
C2E Ag2 Au2 130.08(17) . . ?
C2E Ag2 Au5 68.22(18) . . ?
C2E Ag2 Ag5 118.8(2) . . ?
C2E Ag2 C2B 105.2(2) . . ?
Au2 Ag3 Au3 64.716(19) . . ?
Au2 Ag3 Au5 78.515(18) . . ?
Au2 Ag3 Ag5 57.350(19) . . ?
Au2 Ag3 Ag6 61.878(19) . . ?
Au3 Ag3 Au5 139.07(3) . . ?
Au3 Ag3 Ag5 113.16(3) . . ?
Au3 Ag3 Ag6 90.04(3) . . ?
Au5 Ag3 Ag5 53.205(15) . . ?
Au5 Ag3 Ag6 55.519(19) . . ?
Ag6 Ag3 Ag5 90.20(2) . . ?
C1D Ag3 Au2 104.2(2) . . ?
C1D Ag3 Au3 41.8(2) . . ?
C1D Ag3 Au5 148.09(16) . . ?
C1D Ag3 Ag5 153.6(2) . . ?
C1D Ag3 Ag6 97.06(18) . . ?
C1D Ag3 C1F 146.3(3) . . ?
C1D Ag3 C2D 28.8(3) . . ?
C1D Ag3 C2F 127.9(3) . . ?
C1F Ag3 Au2 108.97(18) . . ?
C1F Ag3 Au3 170.05(17) . . ?
C1F Ag3 Au5 40.28(15) . . ?
C1F Ag3 Ag5 57.58(18) . . ?
C1F Ag3 Ag6 93.47(14) . . ?
C1F Ag3 C2D 117.7(3) . . ?
C1F Ag3 C2F 28.47(19) . . ?
C2D Ag3 Au2 131.4(2) . . ?
C2D Ag3 Au3 70.6(2) . . ?
C2D Ag3 Au5 131.67(16) . . ?
C2D Ag3 Ag5 168.19(19) . . ?
C2D Ag3 Ag6 101.12(16) . . ?
C2F Ag3 Au2 123.73(18) . . ?
C2F Ag3 Au3 148.02(11) . . ?
C2F Ag3 Au5 68.45(13) . . ?
C2F Ag3 Ag5 66.38(18) . . ?
C2F Ag3 Ag6 121.62(12) . . ?
C2F Ag3 C2D 104.2(3) . . ?
Au5 Ag4 Au4 61.416(16) . . ?
C1G Ag4 Au4 34.3(2) . . ?
C1G Ag4 Au5 95.5(2) . . ?
C1G Ag4 C1I 174.0(4) . . ?
C1G Ag4 C2G 29.8(3) . . ?
C1G Ag4 C2I 143.9(4) . . ?
C1I Ag4 Au4 151.7(3) . . ?
C1I Ag4 Au5 90.5(3) . . ?
C1I Ag4 C2G 144.2(3) . . ?
C1I Ag4 C2I 30.2(4) . . ?
C2G Ag4 Au4 64.04(18) . . ?
C2G Ag4 Au5 125.29(17) . . ?
C2I Ag4 Au4 172.12(18) . . ?
C2I Ag4 Au5 120.2(3) . . ?
C2I Ag4 C2G 114.4(3) . . ?
Au2 Ag5 Au4 142.452(18) . . ?
Au2 Ag5 Ag2 55.614(17) . . ?
Au2 Ag5 Ag3 53.889(18) . . ?
Au4 Ag5 Ag2 95.132(17) . . ?
Au4 Ag5 Ag3 110.10(2) . . ?
Au5 Ag5 Au2 79.605(18) . . ?
Au5 Ag5 Au4 64.512(16) . . ?
Au5 Ag5 Ag2 60.726(15) . . ?
Au5 Ag5 Ag3 58.578(16) . . ?
Ag2 Ag5 Ag3 90.05(2) . . ?
C1H Ag5 Au2 151.0(2) . . ?
C1H Ag5 Au4 40.2(2) . . ?
C1H Ag5 Au5 100.56(16) . . ?
C1H Ag5 Ag2 98.77(17) . . ?
C1H Ag5 Ag3 149.3(2) . . ?
C1H Ag5 C2H 28.4(3) . . ?
C1H Ag5 C2L 125.1(2) . . ?
C1L Ag5 Au2 41.57(17) . . ?
C1L Ag5 Au4 166.5(2) . . ?
C1L Ag5 Au5 112.58(19) . . ?
C1L Ag5 Ag2 94.41(17) . . ?
C1L Ag5 Ag3 60.3(2) . . ?
C1L Ag5 C1H 146.7(3) . . ?
C1L Ag5 C2H 119.7(3) . . ?
C1L Ag5 C2L 27.8(2) . . ?
C2H Ag5 Au2 131.48(19) . . ?
C2H Ag5 Au4 68.55(17) . . ?
C2H Ag5 Au5 124.55(13) . . ?
C2H Ag5 Ag2 96.97(14) . . ?
C2H Ag5 Ag3 172.93(15) . . ?
C2L Ag5 Au2 69.38(17) . . ?
C2L Ag5 Au4 143.87(17) . . ?
C2L Ag5 Au5 130.64(16) . . ?
C2L Ag5 Ag2 120.99(17) . . ?
C2L Ag5 Ag3 72.10(16) . . ?
C2L Ag5 C2H 104.7(2) . . ?
Au2 Ag6 Ag3 55.901(17) . . ?
Au5 Ag6 Au2 78.655(19) . . ?
Au5 Ag6 Au6 64.63(2) . . ?
Au5 Ag6 Ag3 61.82(2) . . ?
Au6 Ag6 Au2 140.49(3) . . ?
Au6 Ag6 Ag3 92.36(2) . . ?
C1J Ag6 Au2 150.34(17) . . ?
C1J Ag6 Au5 103.5(3) . . ?
C1J Ag6 Au6 41.6(3) . . ?
C1J Ag6 Ag3 98.44(18) . . ?
C1J Ag6 C1K 147.7(4) . . ?
C1J Ag6 C2J 28.8(3) . . ?
C1J Ag6 C2K 128.0(3) . . ?
C1K Ag6 Au2 40.69(16) . . ?
C1K Ag6 Au5 108.7(2) . . ?
C1K Ag6 Au6 166.37(19) . . ?
C1K Ag6 Ag3 94.55(14) . . ?
C1K Ag6 C2J 119.5(3) . . ?
C1K Ag6 C2K 28.00(18) . . ?
C2J Ag6 Au2 132.55(18) . . ?
C2J Ag6 Au5 130.2(2) . . ?
C2J Ag6 Au6 70.5(2) . . ?
C2J Ag6 Ag3 100.74(16) . . ?
C2J Ag6 C2K 106.0(3) . . ?
C2K Ag6 Au2 68.43(13) . . ?
C2K Ag6 Au5 123.0(2) . . ?
C2K Ag6 Au6 144.67(12) . . ?
C2K Ag6 Ag3 122.26(11) . . ?
C2A C1A C19A 126.1(8) . . ?
C2A C1A C34A 127.1(7) . . ?
C6A C1A C2A 118.6(6) . . ?
C6A C1A C19A 115.1(9) . . ?
C6A C1A C34A 114.3(9) . . ?
Au1 C1B Ag2 95.1(3) . . ?
C2B C1B Au1 174.6(7) . . ?
C2B C1B Ag2 90.2(6) . . ?
Au3 C1C Ag1 113.4(3) . . ?
C2C C1C Au3 165.9(8) . . ?
C2C C1C Ag1 80.7(7) . . ?
Au3 C1D Ag3 89.4(3) . . ?
C2D C1D Au3 177.6(6) . . ?
C2D C1D Ag3 90.2(7) . . ?
Au5 C1E Ag2 93.2(2) . . ?
C2E C1E Au5 178.5(9) . . ?
C2E C1E Ag2 86.7(5) . . ?
Au5 C1F Ag3 92.8(3) . . ?
C2F C1F Au5 169.6(7) . . ?
C2F C1F Ag3 88.8(6) . . ?
Au4 C1G Ag4 106.4(5) . . ?
C2G C1G Au4 167.6(9) . . ?
C2G C1G Ag4 85.6(6) . . ?
Au4 C1H Ag5 92.1(3) . . ?
C2H C1H Au4 175.8(6) . . ?
C2H C1H Ag5 89.3(6) . . ?
Au6 C1I Ag4 110.2(4) . . ?
C2I C1I Au6 171.2(7) . . ?
C2I C1I Ag4 78.6(7) . . ?
Au6 C1J Ag6 91.1(4) . . ?
C2J C1J Au6 179.0(7) . . ?
C2J C1J Ag6 88.7(6) . . ?
Au2 C1K Ag6 91.1(3) . . ?
C2K C1K Au2 170.4(8) . . ?
C2K C1K Ag6 87.0(6) . . ?
Au2 C1L Ag5 90.5(2) . . ?
C2L C1L Au2 176.4(7) . . ?
C2L C1L Ag5 88.9(6) . . ?
C1A C2A C3A 119.0(7) . . ?
C1B C2B Ag2 61.2(5) . . ?
C1B C2B C5B 176.1(8) . . ?
C5B C2B Ag2 122.5(5) . . ?
C1C C2C Ag1 70.2(6) . . ?
C1C C2C C5C 170.5(11) . . ?
C5C C2C Ag1 118.4(7) . . ?
C1D C2D Ag3 61.0(6) . . ?
C1D C2D C5D 175.3(9) . . ?
C5D C2D Ag3 123.3(7) . . ?
C1E C2E Ag2 64.4(4) . . ?
C1E C2E C5E 172.8(8) . . ?
C5E C2E Ag2 121.8(5) . . ?
C1F C2F Ag3 62.7(5) . . ?
C1F C2F C5F 177.0(9) . . ?
C5F C2F Ag3 117.9(5) . . ?
C1G C2G Ag4 64.6(6) . . ?
C1G C2G C5G 166.5(9) . . ?
C5G C2G Ag4 125.8(5) . . ?
C1H C2H Ag5 62.3(5) . . ?
C1H C2H C3H 173.1(9) . . ?
C3H C2H Ag5 123.3(6) . . ?
C1I C2I Ag4 71.2(5) . . ?
C1I C2I C5I 164.7(9) . . ?
C5I C2I Ag4 120.1(7) . . ?
C1J C2J Ag6 62.5(5) . . ?
C1J C2J C5J 173.0(8) . . ?
C5J C2J Ag6 124.3(6) . . ?
C1K C2K Ag6 65.0(5) . . ?
C1K C2K C5K 177.0(10) . . ?
C5K C2K Ag6 116.7(5) . . ?
C1L C2L Ag5 63.3(4) . . ?
C1L C2L C5L 173.4(8) . . ?
C5L C2L Ag5 123.1(5) . . ?
C4A C3A C2A 121.9(10) . . ?
C4B C3B C8B 119.0(7) . . ?
C4B C3B C15B 129.0(6) . . ?
C8B C3B C15B 112.1(6) . . ?
C4C C3C C8C 118.5(6) . . ?
C4C C3C C21C 132.2(8) . . ?
C4C C3C C34C 125.5(9) . . ?
C8C C3C C21C 109.2(8) . . ?
C8C C3C C34C 115.2(9) . . ?
C4D C3D C27D 127.9(7) . . ?
C8D C3D C4D 117.5(8) . . ?
C8D C3D C27D 114.5(8) . . ?
C4E C3E C8E 119.3(7) . . ?
C4E C3E C21E 128.9(7) . . ?
C8E C3E C21E 111.8(6) . . ?
C4F C3F C8F 119.0(8) . . ?
C4F C3F C21F 129.1(8) . . ?
C8F C3F C21F 112.0(6) . . ?
C4G C3G C8G 120.7(9) . . ?
C4G C3G C21G 130.2(9) . . ?
C8G C3G C21G 109.0(8) . . ?
C4H C3H C2H 117.5(9) . . ?
C8H C3H C2H 122.2(8) . . ?
C8H C3H C4H 120.3(8) . . ?
C4I C3I C8I 121.4(8) . . ?
C4I C3I C21I 129.0(8) . . ?
C8I C3I C21I 109.6(8) . . ?
C4J C3J C21J 123.6(13) . . ?
C4J C3J C34J 128.7(11) . . ?
C8J C3J C4J 116.7(12) . . ?
C8J C3J C21J 119.5(15) . . ?
C8J C3J C34J 114.5(13) . . ?
C4K C3K C21K 128.1(8) . . ?
C8K C3K C4K 120.7(7) . . ?
C8K C3K C21K 111.2(6) . . ?
C4L C3L C8L 117.8(8) . . ?
C4L C3L C27L 131.6(8) . . ?
C4L C3L C40L 122.5(7) . . ?
C8L C3L C27L 108.6(5) . . ?
C8L C3L C40L 119.3(6) . . ?
C3A C4A C5A 120.3(8) . . ?
C5B C4B C3B 120.3(7) . . ?
C3C C4C C5C 120.0(9) . . ?
C3D C4D C5D 121.7(7) . . ?
C3E C4E C5E 119.2(7) . . ?
C5F C4F C3F 119.0(7) . . ?
C3G C4G C5G 120.4(9) . . ?
C5H C4H C3H 118.8(11) . . ?
C3I C4I C5I 119.7(9) . . ?
C5J C4J C3J 122.5(10) . . ?
C3K C4K C5K 118.8(7) . . ?
C3L C4L C5L 118.9(7) . . ?
C6A C5A C4A 117.5(8) . . ?
C4B C5B C2B 121.5(7) . . ?
C4B C5B C6B 121.5(7) . . ?
C6B C5B C2B 116.9(7) . . ?
C4C C5C C2C 116.9(9) . . ?
C6C C5C C2C 124.8(6) . . ?
C6C C5C C4C 118.2(8) . . ?
C4D C5D C2D 121.8(7) . . ?
C4D C5D C6D 118.0(8) . . ?
C6D C5D C2D 120.2(7) . . ?
C4E C5E C2E 118.9(6) . . ?
C6E C5E C2E 120.9(7) . . ?
C6E C5E C4E 120.2(6) . . ?
C4F C5F C2F 121.0(7) . . ?
C6F C5F C2F 117.6(7) . . ?
C6F C5F C4F 121.3(5) . . ?
C28D C5FB C29D 111.6(9) . . ?
C4G C5G C2G 118.4(8) . . ?
C6G C5G C2G 123.2(8) . . ?
C6G C5G C4G 118.3(9) . . ?
C6H C5H C4H 120.6(10) . . ?
C4I C5I C2I 118.9(9) . . ?
C6I C5I C2I 121.9(8) . . ?
C6I C5I C4I 119.3(10) . . ?
C4J C5J C2J 122.3(9) . . ?
C4J C5J C6J 123.2(12) . . ?
C6J C5J C2J 114.1(9) . . ?
C4K C5K C2K 121.5(7) . . ?
C6K C5K C2K 117.8(7) . . ?
C6K C5K C4K 120.7(6) . . ?
C4L C5L C2L 118.7(6) . . ?
C6L C5L C2L 119.8(8) . . ?
C6L C5L C4L 121.3(6) . . ?
C1A C6A C5A 122.6(9) . . ?
C1A C6A C7A 105.7(5) . . ?
C5A C6A C7A 131.7(7) . . ?
C7B C6B C5B 118.3(8) . . ?
C7C C6C C5C 123.4(6) . . ?
C7D C6D C5D 120.6(7) . . ?
C7E C6E C5E 120.9(8) . . ?
C5F C6F C7F 120.1(7) . . ?
C7G C6G C5G 121.2(9) . . ?
C5H C6H C7H 120.3(8) . . ?
C5H C6H C9H 130.5(10) . . ?
C7H C6H C9H 109.1(11) . . ?
C7I C6I C5I 121.7(8) . . ?
C5J C6J C7J 112.9(10) . . ?
C7K C6K C5K 119.3(7) . . ?
C7L C6L C5L 120.9(8) . . ?
C8A C7A C6A 130.8(5) . . ?
C8A C7A C12A 119.3(8) . . ?
C12A C7A C6A 109.8(7) . . ?
C6B C7B C8B 121.2(7) . . ?
C6C C7C C8C 118.0(9) . . ?
C6D C7D C8D 119.3(7) . . ?
C8E C7E C6E 119.4(7) . . ?
C8F C7F C6F 119.1(8) . . ?
C6G C7G C8G 120.0(9) . . ?
C6H C7H C21H 112.4(8) . . ?
C8H C7H C6H 118.8(10) . . ?
C8H C7H C21H 128.8(9) . . ?
C6I C7I C8I 119.9(9) . . ?
C8J C7J C6J 122.1(10) . . ?
C6K C7K C8K 120.2(8) . . ?
C6L C7L C8L 118.6(7) . . ?
C9A C8A C7A 120.2(6) . . ?
C3B C8B C7B 119.6(7) . . ?
C3B C8B C9B 107.7(7) . . ?
C7B C8B C9B 132.7(7) . . ?
C3C C8C C9C 107.8(6) . . ?
C7C C8C C3C 121.8(9) . . ?
C7C C8C C9C 130.4(9) . . ?
C3D C8D C9D 106.4(7) . . ?
C7D C8D C3D 122.8(8) . . ?
C7D C8D C9D 130.7(7) . . ?
C3E C8E C9E 107.6(7) . . ?
C7E C8E C3E 120.9(6) . . ?
C7E C8E C9E 131.5(7) . . ?
C3F C8F C9F 108.3(8) . . ?
C7F C8F C3F 121.4(6) . . ?
C7F C8F C9F 130.3(8) . . ?
C3G C8G C9G 111.6(8) . . ?
C7G C8G C3G 119.3(9) . . ?
C7G C8G C9G 129.0(9) . . ?
C7H C8H C3H 121.2(9) . . ?
C3I C8I C9I 109.1(7) . . ?
C7I C8I C3I 118.1(9) . . ?
C7I C8I C9I 132.8(9) . . ?
C3J C8J C7J 122.5(14) . . ?
C3J C8J C9J 105.6(11) . . ?
C7J C8J C9J 131.9(11) . . ?
C3K C8K C7K 120.2(5) . . ?
C3K C8K C9K 109.8(7) . . ?
C7K C8K C9K 129.9(7) . . ?
C3L C8L C9L 111.8(8) . . ?
C3L C8L C15L 97.7(7) . . ?
C7L C8L C3L 122.4(7) . . ?
C7L C8L C9L 124.9(7) . . ?
C7L C8L C15L 139.2(8) . . ?
C10A C9A C8A 119.9(8) . . ?
C10B C9B C8B 131.5(8) . . ?
C10B C9B C14B 120.3(8) . . ?
C14B C9B C8B 108.2(6) . . ?
C10C C9C C8C 131.1(6) . . ?
C10C C9C C14C 121.7(8) . . ?
C14C C9C C8C 107.2(8) . . ?
C10D C9D C8D 132.2(8) . . ?
C10D C9D C14D 119.6(9) . . ?
C14D C9D C8D 108.2(7) . . ?
C10E C9E C8E 131.2(8) . . ?
C14E C9E C8E 108.5(6) . . ?
C14E C9E C10E 120.3(7) . . ?
C10F C9F C8F 131.0(10) . . ?
C10F C9F C14F 121.3(8) . . ?
C14F C9F C8F 107.4(7) . . ?
C10G C9G C8G 134.2(10) . . ?
C10G C9G C14G 120.7(10) . . ?
C14G C9G C8G 105.1(9) . . ?
C10H C9H C6H 134.0(13) . . ?
C10H C9H C14H 118.9(11) . . ?
C14H C9H C6H 107.1(9) . . ?
C10I C9I C8I 130.9(8) . . ?
C14I C9I C8I 109.4(8) . . ?
C14I C9I C10I 119.7(9) . . ?
C10J C9J C8J 125.9(10) . . ?
C14J C9J C8J 109.2(12) . . ?
C14J C9J C10J 124.3(14) . . ?
C10K C9K C8K 132.2(8) . . ?
C14K C9K C8K 107.9(7) . . ?
C14K C9K C10K 119.8(6) . . ?
C14L C9L C8L 105.9(6) . . ?
C14L C9L C10L 120.0 . . ?
C10L C9L C8L 132.6(6) . . ?
C9L C14L C27L 112.9(6) . . ?
C13L C14L C9L 120.0 . . ?
C13L C14L C27L 126.2(6) . . ?
C12L C13L C14L 120.0 . . ?
C11L C12L C13L 120.0 . . ?
C12L C11L C10L 120.0 . . ?
C11L C10L C9L 120.0 . . ?
C9A C10A C11A 120.8(8) . . ?
C9A C10A C26A 122.7(7) . . ?
C11A C10A C26A 116.3(5) . . ?
C9B C10B C11B 117.5(8) . . ?
C9C C10C C11C 118.9(8) . . ?
C9D C10D C11D 119.4(8) . . ?
C11E C10E C9E 117.8(9) . . ?
C9F C10F C11F 117.2(12) . . ?
C9G C10G C11G 120.5(13) . . ?
C11H C10H C9H 120.6(15) . . ?
C11I C10I C9I 119.2(9) . . ?
C11J C10J C9J 116.6(12) . . ?
C11K C10K C9K 119.4(9) . . ?
C12A C11A C10A 118.9(5) . . ?
C12B C11B C10B 121.5(8) . . ?
C12C C11C C10C 119.2(12) . . ?
C12D C11D C10D 121.8(8) . . ?
C12E C11E C10E 121.8(8) . . ?
C12F C11F C10F 123.2(11) . . ?
C12G C11G C10G 119.9(15) . . ?
C10H C11H C12H 122.3(12) . . ?
C10I C11I C12I 122.1(10) . . ?
C10J C11J C12J 118.6(16) . . ?
C12K C11K C10K 119.4(8) . . ?
C7A C12A C19A 108.6(8) . . ?
C7A C12A C34A 110.4(8) . . ?
C11A C12A C7A 120.8(7) . . ?
C11A C12A C19A 130.5(7) . . ?
C11A C12A C34A 128.8(6) . . ?
C11B C12B C13B 120.7(9) . . ?
C11C C12C C13C 122.3(10) . . ?
C11D C12D C13D 118.7(10) . . ?
C11E C12E C13E 120.7(9) . . ?
C11F C12F C13F 120.3(11) . . ?
C11G C12G C13G 124.5(14) . . ?
C11H C12H C13H 118.7(14) . . ?
C13I C12I C11I 117.9(10) . . ?
C13J C12J C11J 125.1(17) . . ?
C11K C12K C13K 123.9(7) . . ?
C14B C13B C12B 118.6(8) . . ?
C12C C13C C14C 119.0(8) . . ?
C14D C13D C12D 120.1(9) . . ?
C12E C13E C14E 118.8(9) . . ?
C12F C13F C14F 117.3(13) . . ?
C12G C13G C14G 113.9(12) . . ?
C12H C13H C14H 118.6(15) . . ?
C14I C13I C12I 121.3(9) . . ?
C12J C13J C14J 116.0(14) . . ?
C14K C13K C12K 115.4(9) . . ?
C15A C14A C13A 106.3(12) . . ?
C9B C14B C15B 110.0(7) . . ?
C13B C14B C9B 121.4(7) . . ?
C13B C14B C15B 128.5(7) . . ?
C9C C14C C21C 111.8(7) . . ?
C9C C14C C34C 113.8(7) . . ?
C13C C14C C9C 118.9(10) . . ?
C13C C14C C21C 129.2(8) . . ?
C13C C14C C34C 126.7(8) . . ?
C9D C14D C27D 111.3(8) . . ?
C13D C14D C9D 120.3(8) . . ?
C13D C14D C27D 128.4(8) . . ?
C9E C14E C21E 111.7(6) . . ?
C13E C14E C9E 120.7(7) . . ?
C13E C14E C21E 127.7(8) . . ?
C9F C14F C13F 120.6(9) . . ?
C9F C14F C21F 113.0(7) . . ?
C13F C14F C21F 126.4(11) . . ?
C9G C14G C13G 120.5(11) . . ?
C9G C14G C21G 114.3(9) . . ?
C13G C14G C21G 125.2(11) . . ?
C9H C14H C13H 120.9(10) . . ?
C9H C14H C21H 113.5(9) . . ?
C13H C14H C21H 125.5(12) . . ?
C9I C14I C21I 111.4(8) . . ?
C13I C14I C9I 119.8(9) . . ?
C13I C14I C21I 128.6(8) . . ?
C9J C14J C13J 118.5(15) . . ?
C9J C14J C21J 107.6(14) . . ?
C9J C14J C34J 107.6(13) . . ?
C13J C14J C21J 132.0(13) . . ?
C13J C14J C34J 133.4(13) . . ?
C9K C14K C13K 122.1(8) . . ?
C9K C14K C21K 111.2(6) . . ?
C13K C14K C21K 126.6(9) . . ?
C14A C15A C16A 112.6(11) . . ?
C3B C15B C14B 101.8(6) . . ?
C3B C15B C21B 111.8(6) . . ?
C3B C15B C22B 110.7(5) . . ?
C14B C15B C21B 111.7(5) . . ?
C14B C15B C22B 113.0(6) . . ?
C22B C15B C21B 107.9(6) . . ?
C20L C15L C8L 113.0(5) . . ?
C20L C15L C16L 120.0 . . ?
C16L C15L C8L 127.0(5) . . ?
C15L C20L C19L 120.0 . . ?
C15L C20L C40L 110.8(6) . . ?
C19L C20L C40L 129.0(6) . . ?
C18L C19L C20L 120.0 . . ?
C19L C18L C17L 120.0 . . ?
C18L C17L C16L 120.0 . . ?
C17L C16L C15L 120.0 . . ?
C15A C16A C17A 107.9(9) . . ?
C15C C16C C17C 110.9(13) . . ?
C17D C16D C15D 114.0(8) . . ?
C17E C16E C15E 121.4(15) . . ?
C17F C16F C15F 107.4(11) . . ?
C15G C16G C17G 113.0(13) . . ?
C17H C16H C15H 113.1(10) . . ?
C15I C16I C17I 114.3(9) . . ?
C17J C16J C15J 86.1(12) . . ?
C15K C16K C17K 112.6(12) . . ?
C18A C17A C16A 114.6(9) . . ?
C18B C17B C16B 111.7(11) . . ?
C16C C17C C18C 108.8(11) . . ?
C16D C17D C18D 115.3(7) . . ?
C16E C17E C18E 110.3(15) . . ?
C18F C17F C16F 110.4(9) . . ?
C18G C17G C16G 110.1(11) . . ?
C16H C17H C18H 114.5(8) . . ?
C18I C17I C16I 108.5(8) . . ?
C16J C17J C18J 88.4(8) . . ?
C16K C17K C18K 114.0(11) . . ?
C17A C18A C19A 111.5(8) . . ?
C17B C18B C19B 115.5(8) . . ?
C17C C18C C19C 109.8(8) . . ?
C17D C18D C19D 113.8(7) . . ?
C17E C18E C19E 114.1(12) . . ?
C17F C18F C19F 111.9(9) . . ?
C30F C18F C19F 107.0(8) . . ?
C17G C18G C19G 109.7(10) . . ?
C17H C18H C19H 114.9(8) . . ?
C17I C18I C19I 113.2(7) . . ?
C19J C18J C17J 110.4(9) . . ?
C19K C18K C17K 114.4(10) . . ?
C1A C19A C12A 100.0(7) . . ?
C1A C19A C18A 115.3(12) . . ?
C1A C19A C20A 110.5(10) . . ?
C18A C19A C12A 110.6(9) . . ?
C18A C19A C20A 110.3(7) . . ?
C20A C19A C12A 109.7(12) . . ?
C20B C19B C18B 116.1(7) . . ?
C20C C19C C18C 109.2(8) . . ?
C20D C19D C18D 113.2(6) . . ?
C20E C19E C18E 114.0(10) . . ?
C20F C19F C18F 109.2(9) . . ?
C20G C19G C18G 109.9(10) . . ?
C20H C19H C18H 111.1(8) . . ?
C20I C19I C18I 111.8(8) . . ?
C20J C19J C18J 113.0(9) . . ?
C20K C19K C18K 110.2(9) . . ?
C21A C20A C19A 111.1(8) . . ?
C19B C20B C21B 112.5(7) . . ?
C19C C20C C21C 115.6(8) . . ?
C19D C20D C27D 116.1(6) . . ?
C19E C20E C21E 117.0(8) . . ?
C19F C20F C21F 116.5(10) . . ?
C19G C20G C21G 121.8(9) . . ?
C32G C20G C21G 113.9(9) . . ?
C19H C20H C21H 115.9(9) . . ?
C19I C20I C21I 113.6(8) . . ?
C21I C20I C32I 111.3(9) . . ?
C19J C20J C21J 121.4(10) . . ?
C19K C20K C21K 116.7(9) . . ?
C20A C21A C22A 112.4(9) . . ?
C20B C21B C15B 117.1(6) . . ?
C3C C21C C20C 112.2(8) . . ?
C3C C21C C22C 108.1(8) . . ?
C14C C21C C3C 103.5(7) . . ?
C14C C21C C20C 116.4(10) . . ?
C14C C21C C22C 109.7(8) . . ?
C20C C21C C22C 106.6(7) . . ?
C22D C21D C27D 113.7(8) . . ?
C3E C21E C14E 100.3(6) . . ?
C3E C21E C20E 110.6(7) . . ?
C3E C21E C22E 112.2(9) . . ?
C14E C21E C20E 110.7(8) . . ?
C22E C21E C14E 111.9(7) . . ?
C22E C21E C20E 110.6(7) . . ?
C3F C21F C14F 99.2(8) . . ?
C20F C21F C3F 111.9(8) . . ?
C20F C21F C14F 112.0(9) . . ?
C22F C21F C3F 112.8(9) . . ?
C22F C21F C14F 112.3(8) . . ?
C22F C21F C20F 108.5(10) . . ?
C3G C21G C20G 111.5(5) . . ?
C3G C21G C22G 117.4(10) . . ?
C3G C21G C33G 106.6(9) . . ?
C14G C21G C3G 99.9(8) . . ?
C14G C21G C20G 105.6(8) . . ?
C14G C21G C22G 106.1(8) . . ?
C14G C21G C33G 128.3(7) . . ?
C22G C21G C20G 114.3(8) . . ?
C33G C21G C20G 104.6(8) . . ?
C7H C21H C14H 97.6(8) . . ?
C7H C21H C20H 110.4(8) . . ?
C7H C21H C22H 101.5(8) . . ?
C7H C21H C28H 116.6(8) . . ?
C14H C21H C28H 120.7(9) . . ?
C20H C21H C14H 114.8(7) . . ?
C20H C21H C22H 120.2(8) . . ?
C20H C21H C28H 97.4(8) . . ?
C22H C21H C14H 109.1(8) . . ?
C3I C21I C22I 109.8(7) . . ?
C14I C21I C3I 99.8(7) . . ?
C14I C21I C22I 107.9(6) . . ?
C20I C21I C3I 112.8(6) . . ?
C20I C21I C14I 115.9(8) . . ?
C20I C21I C22I 110.1(7) . . ?
C3J C21J C14J 96.6(9) . . ?
C3J C21J C20J 109.7(16) . . ?
C3J C21J C22J 111.3(17) . . ?
C20J C21J C14J 97.2(16) . . ?
C22J C21J C14J 111.8(18) . . ?
C22J C21J C20J 125.6(9) . . ?
C3K C21K C14K 99.8(8) . . ?
C3K C21K C20K 112.9(8) . . ?
C3K C21K C22K 110.7(8) . . ?
C20K C21K C14K 114.8(7) . . ?
C20K C21K C22K 108.3(9) . . ?
C22K C21K C14K 110.2(8) . . ?
C25A C22A C21A 111.5(12) . . ?
C23B C22B C15B 115.7(6) . . ?
C23C C22C C21C 114.9(7) . . ?
C21D C22D C23D 99.5(8) . . ?
C21D C22D C28D 124.3(9) . . ?
C23E C22E C21E 119.0(8) . . ?
C21F C22F C23F 117.9(9) . . ?
C23G C22G C21G 114.1(9) . . ?
C23H C22H C21H 110.6(8) . . ?
C23I C22I C21I 119.4(7) . . ?
C23J C22J C21J 112.6(9) . . ?
C23K C22K C21K 120.8(10) . . ?
C21L C22L C23L 110.5(12) . . ?
C25A C23A C24A 108.7(14) . . ?
C24B C23B C22B 111.9(7) . . ?
C22C C23C C24C 113.2(7) . . ?
C22D C23D C24D 106.0(8) . . ?
C22E C23E C24E 115.2(9) . . ?
C22F C23F C24F 118.9(9) . . ?
C22F C23F C31F 105.3(8) . . ?
C22G C23G C24G 115.2(9) . . ?
C22H C23H C24H 111.7(8) . . ?
C22I C23I C24I 104.4(7) . . ?
C22I C23I C33I 113.3(7) . . ?
C22J C23J C24J 111.3(9) . . ?
C22K C23K C24K 115.2(11) . . ?
C22K C23K C28K 104.9(8) . . ?
C22L C23L C24L 111.7(8) . . ?
C23B C24B C25B 115.4(7) . . ?
C23B C24B C28B 111.5(6) . . ?
C23C C24C C25C 109.7(7) . . ?
C25D C24D C23D 106.2(10) . . ?
C25E C24E C23E 117.8(9) . . ?
C25F C24F C23F 113.1(9) . . ?
C25G C24G C23G 112.3(9) . . ?
C23H C24H C25H 108.6(8) . . ?
C25I C24I C23I 114.4(8) . . ?
C25J C24J C23J 119.1(10) . . ?
C25K C24K C23K 109.3(8) . . ?
C23L C24L C25L 105.6(7) . . ?
C22A C25A C23A 111.2(11) . . ?
C24B C25B C26B 111.8(7) . . ?
C26C C25C C24C 112.3(7) . . ?
C24D C25D C26D 106.4(8) . . ?
C24E C25E C26E 113.0(8) . . ?
C24E C25E C28E 117.1(9) . . ?
C24F C25F C26F 113.0(10) . . ?
C26G C25G C24G 114.1(11) . . ?
C26H C25H C24H 107.1(11) . . ?
C24I C25I C26I 110.6(10) . . ?
C24J C25J C46J 131.1(11) . . ?
C24K C25K C26K 113.8(8) . . ?
C26L C25L C24L 112.8(7) . . ?
C10A C26A Ag1 122.7(5) . . ?
C27A C26A Ag1 63.3(5) . . ?
C27A C26A C10A 174.1(9) . . ?
C25B C26B C27B 113.9(9) . . ?
C27C C26C C25C 109.1(11) . . ?
C27E C26E C25E 110.2(11) . . ?
C25F C26F C27F 107.6(10) . . ?
C25G C26G C27G 105.0(11) . . ?
C27H C26H C25H 108.5(11) . . ?
C25I C26I C27I 108.0(12) . . ?
C25J C46J C27J 110.7(12) . . ?
C27K C26K C25K 110.4(11) . . ?
C25L C26L C27L 114.4(7) . . ?
Au1 C27A Ag1 106.0(4) . . ?
C26A C27A Au1 166.0(8) . . ?
C26A C27A Ag1 87.9(6) . . ?
C3D C27D C14D 99.5(7) . . ?
C3D C27D C20D 110.7(7) . . ?
C3D C27D C21D 113.0(10) . . ?
C14D C27D C20D 112.1(9) . . ?
C14D C27D C21D 113.6(7) . . ?
C20D C27D C21D 107.8(7) . . ?
C14L C27L C3L 94.9(6) . . ?
C26L C27L C3L 113.9(9) . . ?
C26L C27L C14L 126.5(6) . . ?
C28L C27L C3L 111.3(6) . . ?
C28L C27L C14L 112.9(9) . . ?
C28L C27L C26L 97.8(7) . . ?
C24B C28B C29B 111.7(11) . . ?
C5FB C28D C22D 115.3(9) . . ?
C29E C28E C25E 110.1(15) . . ?
C29H C28H C21H 110.6(9) . . ?
C29K C28K C23K 109.4(9) . . ?
C27L C28L C29L 101.5(8) . . ?
C28A C29A C30A 107.5(8) . . ?
C30B C29B C28B 110.4(13) . . ?
C28C C29C C30C 108.2(10) . . ?
C30D C29D C5FB 108.9(12) . . ?
C30F C29F C28F 105.8(10) . . ?
C28G C29G C30G 106.6(13) . . ?
C28H C29H C30H 110.2(10) . . ?
C28I C29I C30I 110.4(10) . . ?
C30J C29J C28J 111.3(14) . . ?
C28K C29K C30K 113.3(9) . . ?
C30L C29L C28L 95.3(8) . . ?
C31A C30A C29A 108.1(7) . . ?
C31C C30C C29C 111.2(12) . . ?
C18F C30F C29F 109.4(12) . . ?
C31G C30G C29G 109.7(7) . . ?
C31H C30H C29H 108.0(7) . . ?
C29I C30I C31I 109.1(12) . . ?
C31J C30J C29J 126.0(10) . . ?
C31K C30K C29K 114.9(11) . . ?
C31L C30L C29L 112.5(10) . . ?
C30A C31A C32A 112.0(7) . . ?
C30C C31C C32C 110.3(10) . . ?
C32F C31F C23F 114.7(9) . . ?
C30G C31G C32G 109.8(7) . . ?
C32H C31H C30H 110.7(9) . . ?
C30I C31I C32I 146.5(12) . . ?
C30J C31J C32J 109.6(8) . . ?
C30L C31L C32L 104.3(9) . . ?
C33A C32A C31A 107.1(7) . . ?
C33C C32C C31C 107.8(9) . . ?
C31F C32F C33F 106.7(9) . . ?
C20G C32G C31G 111.0(10) . . ?
C31H C32H C33H 109.1(12) . . ?
C20I C32I C31I 113.2(11) . . ?
C33J C32J C31J 110.1(8) . . ?
C33L C32L C31L 111.7(10) . . ?
C34A C33A C32A 118.9(8) . . ?
C32C C33C C34C 114.4(9) . . ?
C34F C33F C32F 109.0(11) . . ?
C21G C33G C34G 110.1(9) . . ?
C23I C33I C34I 107.3(8) . . ?
C32J C33J C34J 109.5(8) . . ?
C1A C34A C12A 99.5(7) . . ?
C1A C34A C35A 114.9(9) . . ?
C12A C34A C35A 112.9(11) . . ?
C33A C34A C1A 110.7(11) . . ?
C33A C34A C12A 114.5(9) . . ?
C33A C34A C35A 104.7(7) . . ?
C3C C34C C14C 94.8(7) . . ?
C33C C34C C3C 110.6(8) . . ?
C33C C34C C14C 107.9(11) . . ?
C33C C34C C35C 108.5(8) . . ?
C35C C34C C3C 117.0(9) . . ?
C35C C34C C14C 117.3(9) . . ?
C35G C34G C33G 111.1(9) . . ?
C35I C34I C33I 107.5(8) . . ?
C3J C34J C14J 102.7(9) . . ?
C3J C34J C33J 114.4(15) . . ?
C3J C34J C35J 116.7(14) . . ?
C14J C34J C33J 118.4(16) . . ?
C14J C34J C35J 110.3(14) . . ?
C33J C34J C35J 95.1(7) . . ?
C36A C35A C34A 116.8(8) . . ?
C36C C35C C34C 114.1(8) . . ?
C34G C35G C36G 110.7(9) . . ?
C34I C35I C36I 104.8(12) . . ?
C36J C35J C34J 111.7(8) . . ?
C36L C35L C34L 110.8(12) . . ?
C35A C36A C37A 109.4(9) . . ?
C35C C36C C37C 112.3(9) . . ?
C35G C36G C37G 108.8(9) . . ?
C35J C36J C37J 108.9(8) . . ?
C35L C36L C37L 111.2(12) . . ?
C38A C37A C36A 111.9(11) . . ?
C38C C37C C36C 111.5(12) . . ?
C38G C37G C36G 110.3(11) . . ?
C38J C37J C36J 108.0(9) . . ?
C38L C37L C36L 105.5(9) . . ?
C37A C38A C39A 110.8(10) . . ?
C39C C38C C37C 112.8(10) . . ?
C39J C38J C37J 117.0(10) . . ?
C39L C38L C37L 107.3(8) . . ?
C40A C39A C38A 110.1(12) . . ?
C38C C39C C40C 110.2(13) . . ?
C40J C39J C38J 109.3(10) . . ?
C38L C39L C40L 113.2(9) . . ?
C3L C40L C41L 116.2(8) . . ?
C20L C40L C3L 99.0(6) . . ?
C20L C40L C39L 103.6(7) . . ?
C20L C40L C41L 126.1(10) . . ?
C39L C40L C3L 117.5(9) . . ?
C39L C40L C41L 95.0(6) . . ?
C42L C41L C40L 107.4(7) . . ?
C41L C42L C43L 107.8(8) . . ?
C42L C43L C44L 116.1(9) . . ?
C43L C44L C45L 108.2(10) . . ?
C46L C45L C44L 119.9(12) . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.083 0.250 0.833 2103.7 629.9 ?
2 -0.456 0.750 -0.206 2103.7 629.9 ?
3 0.100 0.017 0.329 11.9 0.0 ?
4 0.100 -0.017 0.829 11.9 0.0 ?
5 0.129 0.500 0.420 9.7 1.9 ?
6 0.129 0.500 0.920 9.7 2.1 ?
7 0.198 0.089 0.312 7.3 0.0 ?
8 0.198 0.911 0.812 7.3 0.0 ?
9 0.237 0.396 0.294 17.3 0.0 ?
10 0.237 0.604 0.794 17.3 0.0 ?
11 0.241 0.117 0.354 8.6 0.1 ?
12 0.241 0.883 0.854 8.6 0.1 ?
13 0.263 0.104 0.706 17.3 0.0 ?
14 0.263 0.896 0.206 17.3 0.0 ?
15 0.259 0.383 0.646 8.6 0.1 ?
16 0.259 0.617 0.146 8.6 0.1 ?
17 0.302 0.411 0.688 7.3 0.0 ?
18 0.302 0.589 0.188 7.3 0.0 ?
19 0.371 0.000 0.080 9.7 1.5 ?
20 0.371 0.000 0.580 9.7 1.5 ?
21 0.400 0.483 0.671 11.9 0.0 ?
22 0.400 0.517 0.171 11.9 0.0 ?
23 0.600 0.483 0.829 11.9 0.0 ?
24 0.600 0.517 0.329 11.9 0.0 ?
25 0.629 0.000 0.420 9.7 1.9 ?
26 0.629 0.000 0.920 9.7 2.1 ?
27 0.698 0.411 0.812 7.3 0.0 ?
28 0.698 0.589 0.312 7.3 0.0 ?
29 0.737 0.104 0.794 17.3 0.0 ?
30 0.737 0.896 0.294 17.3 0.0 ?
31 0.741 0.383 0.854 8.6 0.1 ?
32 0.741 0.617 0.354 8.6 0.1 ?
33 0.763 0.396 0.206 17.3 0.0 ?
34 0.763 0.604 0.706 17.3 0.0 ?
35 0.759 0.117 0.146 8.6 0.1 ?
36 0.759 0.883 0.646 8.6 0.1 ?
37 0.802 0.089 0.188 7.3 0.0 ?
38 0.802 0.911 0.688 7.3 0.0 ?
39 0.871 0.500 0.080 9.7 1.5 ?
40 0.871 0.500 0.580 9.7 1.5 ?
41 0.900 0.017 0.171 11.9 0.0 ?
42 0.900 -0.017 0.671 11.9 0.0 ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_preparation       ', Luminescent'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
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data_cxy661_0m
_database_code_depnum_ccdc_archive 'CCDC 1554172'
_audit_update_record             
;
2017-06-05 deposited with the CCDC.
2017-09-18 downloaded from the CCDC.
;
_audit_creation_date             2017-06-05
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        C6_FLuoAuCu
_chemical_formula_moiety         'C324 H396 Au6 Cu6'
_chemical_formula_sum            'C324 H396 Au6 Cu6'
_chemical_formula_weight         5853.42
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0150 0.0070 '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'
Au Au -4.8270 6.1600 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   79.645(3)
_cell_length_b                   18.8256(8)
_cell_length_c                   50.821(2)
_cell_angle_alpha                90
_cell_angle_beta                 127.383(2)
_cell_angle_gamma                90
_cell_volume                     60548(5)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9802
_cell_measurement_temperature    200
_cell_measurement_theta_max      58.925
_cell_measurement_theta_min      3.020
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.125
_exptl_absorpt_correction_T_max  0.7516
_exptl_absorpt_correction_T_min  0.5021
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2008/1 (Bruker,2008) was used for absorption correction. wR2(int) was 0.1175 before and 0.0788 after correction. The Ratio of minimum to maximum transmission is 0.6680. The λ/2 correction factor is 0.0015.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.284
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             23904
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.28
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0587
_diffrn_reflns_av_unetI/netI     0.0454
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       86
_diffrn_reflns_limit_h_min       -88
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       56
_diffrn_reflns_limit_l_min       -48
_diffrn_reflns_number            199273
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        59.125
_diffrn_reflns_theta_max         59.125
_diffrn_reflns_theta_min         1.396
_diffrn_ambient_temperature      200.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                30569
_reflns_number_total             43364
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.791
_refine_diff_density_min         -1.325
_refine_diff_density_rms         0.110
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3369
_refine_ls_number_reflns         43364
_refine_ls_number_restraints     1340
_refine_ls_R_factor_all          0.1252
_refine_ls_R_factor_gt           0.0888
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.077
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0054P)²+1487.2386P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1708
_refine_ls_wR_factor_ref         0.1980
_refine_special_details          ', SQUEEZE'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C33G-C21G = C22G-C21G = C33G-C34G = C22G-C23G = C35G-C34G = C24G-C23G
 1.54 with sigma of 0.02
 C37G-C38G
 1.54 with sigma of 0.02
 C40L-C3L
 1.54 with sigma of 0.02
 C27L-C14L = C40L-C20L
 1.53 with sigma of 0.02
 C41L-C40L = C41L-C42L = C43L-C42L = C43L-C44L = C44L-C45L = C46L-C45L
 1.54 with sigma of 0.02
 C28L-C27L = C28L-C29L = C30L-C29L = C30L-C31L = C31L-C32L = C33L-C32L = C25L-
 C26L = C24L-C25L = C23L-C24L
 1.53 with sigma of 0.02
 C40L-C39L = C27L-C26L = C25L-C26L = C38L-C39L = C37L-C38L = C24L-C25L = C23L-
 C24L = C36L-C37L = C36L-C35L = C23L-C22L = C21L-C22L = C34L-C35L
 1.54 with sigma of 0.02
 C35G-C36G = C24G-C25G
 1.54 with sigma of 0.02
 C26G-C25G = C27G-C26G
 1.54 with sigma of 0.02
 C37G-C36G
 1.54 with sigma of 0.02
 C25B-C24B = C28B-C24B = C29B-C28B = C30B-C29B = C26B-C25B = C27B-C26B
 1.54 with sigma of 0.02
 C26E-C27E = C28E-C29E = C26E-C25E = C28E-C25E
 1.54 with sigma of 0.02
 C17F-C18F = C30F-C18F = C28F-C29F = C15F-C16F = C30F-C29F = C17F-C16F
 1.54 with sigma of 0.02
 C23F-C31F = C23F-C24F = C32F-C31F = C25F-C24F = C32F-C33F = C25F-C26F = C27F-
 C26F = C34F-C33F
 1.54 with sigma of 0.02
 C16E-C15E
 1.54 with sigma of 0.02
 C32I-C20I = C20I-C19I = C18I-C19I = C31I-C32I = C30I-C31I = C17I-C18I = C30I-
 C29I = C17I-C16I = C16I-C15I = C29I-C28I
 1.54 with sigma of 0.02
 C33I-C23I = C24I-C23I = C25I-C24I = C34I-C33I = C25I-C26I = C34I-C35I = C27I-
 C26I = C35I-C36I
 1.54 with sigma of 0.02
 C22D-C23D = C22D-C28D = C5FB-C28D = C24D-C23D = C24D-C25D = C5FB-C29D = C30D-
 C29D = C26D-C25D
 1.54 with sigma of 0.02
 C20G-C32G = C20G-C19G = C31G-C32G = C18G-C19G = C18G-C17G = C31G-C30G = C16G-
 C17G = C30G-C29G = C15G-C16G = C29G-C28G
 1.54 with sigma of 0.02
 C14A-C13A = C14A-C15A = C16A-C15A = C16A-C17A = C18A-C17A = C18A-C19A = C20A-
 C19A = C20A-C21A = C29A-C28A = C29A-C30A = C31A-C30A = C32A-C31A = C32A-C33A =
 C35A-C34A = C35A-C36A = C37A-C36A = C22A-C21A = C25A-C22A = C38A-C37A = C38A-
 C39A = C25A-C23A = C39A-C40A = C23A-C24A
 1.54 with sigma of 0.02
 C22H-C21H = C28H-C21H = C23H-C22H = C29H-C28H = C23H-C24H = C29H-C30H = C31H-
 C30H = C25H-C24H = C32H-C31H = C32H-C33H = C26H-C25H = C26H-C27H
 1.54 with sigma of 0.02
 C24K-C23K = C28K-C23K = C24K-C25K = C28K-C29K = C26K-C25K = C30K-C29K = C26K-
 C27K = C30K-C31K
 1.54 with sigma of 0.02
 C18E-C17E = C16E-C15E
 1.54 with sigma of 0.02
 C16E-C17E
 1.54 with sigma of 0.02
 C16J-C15J = C29J-C28J = C17J-C16J = C30J-C29J = C31J-C30J = C18J-C17J = C32J-
 C31J = C19J-C18J = C33J-C32J = C20J-C19J = C21J-C20J = C34J-C33J = C35J-C34J =
 C22J-C21J = C36J-C35J = C23J-C22J = C37J-C36J = C24J-C23J = C38J-C37J = C25J-
 C24J = C39J-C38J = C46J-C25J = C40J-C39J = C46J-C27J
 1.54 with sigma of 0.02
 Au6-C1I
 2 with sigma of 0.02
 C2I-C1I
 1.2 with sigma of 0.02
 C5I-C2I
 1.46 with sigma of 0.02
 C26C-C27C = C39C-C40C = C39C-C38C = C26C-C25C = C25C-C24C = C38C-C37C = C36C-
 C37C = C23C-C24C = C36C-C35C = C23C-C22C = C35C-C34C = C22C-C21C = C33C-C34C =
 C20C-C21C = C32C-C33C = C19C-C20C = C32C-C31C = C19C-C18C = C17C-C18C = C30C-
 C31C = C30C-C29C = C17C-C16C = C15C-C16C = C28C-C29C
 1.54 with sigma of 0.02
 C18B-C17B = C17B-C16B
 1.54 with sigma of 0.02
 C21G-C34G
 2.52 with sigma of 0.04
 C21G-C23G
 2.52 with sigma of 0.04
 C33G-C35G = C22G-C24G
 2.52 with sigma of 0.04
 C37G-C35G
 2.52 with sigma of 0.04
 C40L-C42L = C41L-C43L = C44L-C46L = C27L-C29L = C28L-C30L = C31L-C33L
 2.52 with sigma of 0.04
 C42L-C44L = C43L-C45L = C30L-C32L = C31L-C29L
 2.52 with sigma of 0.04
 C40L-C38L = C39L-C37L = C36L-C34L = C27L-C25L = C26L-C24L = C23L-C21L
 2.52 with sigma of 0.04
 C38L-C36L = C37L-C35L = C22L-C24L = C23L-C25L
 2.52 with sigma of 0.04
 C39L-C41L = C28L-C26L
 2.52 with sigma of 0.04
 C36G-C34G = C25G-C23G
 2.52 with sigma of 0.04
 C24G-C26G = C25G-C27G
 2.52 with sigma of 0.04
 C38G-C36G
 2.52 with sigma of 0.04
 C28B-C30B = C25B-C27B = C24B-C29B
 2.52 with sigma of 0.04
 C24B-C26B = C28B-C23B
 2.52 with sigma of 0.04
 C23B-C25B
 2.52 with sigma of 0.04
 C27E-C25E
 2.52 with sigma of 0.04
 C29E-C25E
 2.52 with sigma of 0.04
 C28E-C24E
 2.52 with sigma of 0.04
 C26E-C24E
 2.52 with sigma of 0.04
 C15F-C17F = C28F-C30F = C29F-C18F
 2.52 with sigma of 0.04
 C16F-C18F = C17F-C19F
 2.52 with sigma of 0.04
 C30F-C19F
 2.52 with sigma of 0.04
 C34F-C32F = C33F-C31F = C27F-C25F = C26F-C24F
 2.52 with sigma of 0.04
 C32F-C23F
 2.52 with sigma of 0.04
 C25F-C23F
 2.52 with sigma of 0.04
 C24F-C22F
 2.52 with sigma of 0.04
 C31F-C22F
 2.52 with sigma of 0.04
 C20I-C18I = C19I-C17I
 2.52 with sigma of 0.04
 C18I-C16I = C17I-C15I = C31I-C29I = C30I-C28I = C32I-C21I
 2.52 with sigma of 0.04
 C20I-C31I
 2.52 with sigma of 0.04
 C23I-C25I = C24I-C26I = C33I-C35I = C34I-C36I
 2.52 with sigma of 0.04
 C25I-C27I = C23I-C34I = C33I-C35I = C24I-C22I
 2.52 with sigma of 0.04
 C33I-C22I
 2.52 with sigma of 0.04
 C25C-C23C = C24C-C22C = C21C-C19C = C20C-C18C = C17C-C15C = C38C-C36C = C37C-
 C35C = C34C-C32C = C33C-C31C = C30C-C28C
 2.52 with sigma of 0.04
 C22D-C5FB = C28D-C29D = C23D-C25D = C24D-C26D
 2.52 with sigma of 0.04
 C22D-C24D = C23D-C25D = C28D-C29D = C5FB-C30D
 2.52 with sigma of 0.04
 C20G-C31G = C32G-C30G = C19G-C17G = C18G-C16G
 2.52 with sigma of 0.04
 C20G-C18G = C19G-C17G = C32G-C30G = C31G-C29G
 2.52 with sigma of 0.04
 C17G-C15G = C28G-C30G
 2.52 with sigma of 0.04
 C28A-C30A = C29A-C31A = C32A-C34A = C33A-C35A = C36A-C38A = C37A-C39A = C13A-
 C15A = C14A-C16A = C17A-C19A = C18A-C20A = C21A-C25A = C22A-C23A
 2.52 with sigma of 0.04
 C30A-C32A = C31A-C33A = C34A-C36A = C35A-C37A = C38A-C40A = C15A-C17A = C16A-
 C18A = C19A-C21A = C20A-C22A = C25A-C24A
 2.52 with sigma of 0.04
 C21H-C23H = C22H-C24H = C25H-C27H = C28H-C30H = C29H-C31H
 2.52 with sigma of 0.04
 C21H-C29H = C28H-C30H = C31H-C33H = C22H-C24H = C23H-C25H
 2.52 with sigma of 0.04
 C26H-C24H = C32H-C30H = C25H-C23H = C29H-C31H
 2.52 with sigma of 0.04
 C22K-C28K = C23K-C29K = C24K-C26K = C25K-C27K
 2.52 with sigma of 0.04
 C22K-C24K = C23K-C25K = C28K-C30K = C29K-C31K
 2.52 with sigma of 0.04
 C17J-C15J
 2.52 with sigma of 0.04
 C16J-C18J
 2.52 with sigma of 0.04
 C19J-C21J
 2.52 with sigma of 0.04
 C23J-C25J
 2.52 with sigma of 0.04
 C24J-C46J
 2.52 with sigma of 0.04
 C25J-C27J
 2.52 with sigma of 0.04
 C37J-C39J = C24J-C46J
 2.52 with sigma of 0.04
 C28J-C30J = C29J-C31J = C32J-C34J = C33J-C35J = C36J-C38J = C37J-C39J
 2.52 with sigma of 0.04
 C14L-C28L
 2.6 with sigma of 0.04
 C28L-C3L
 2.6 with sigma of 0.04
 C20J-C18J
 2.52 with sigma of 0.04
 C20J-C22J
 2.52 with sigma of 0.04
 C17J-C19J = C18J-C20J = C21J-C23J = C22J-C24J = C25J-C27J = C30J-C32J = C31J-
 C33J = C34J-C36J = C35J-C37J = C38J-C40J
 2.52 with sigma of 0.04
 C20J-C14J
 2.55 with sigma of 0.04
 C20J-C3J
 2.55 with sigma of 0.04
 C2I-Au6
 3.2 with sigma of 0.04
 C27C-C25C = C26C-C24C = C23C-C21C = C22C-C20C = C19C-C17C = C18C-C16C = C40C-
 C38C = C39C-C37C = C36C-C34C = C35C-C33C = C32C-C30C = C31C-C29C
 2.52 with sigma of 0.04
 C38C-H40D
 2.8 with sigma of 0.04
 H40F-C38C
 2.8 with sigma of 0.04
 H29I-H24M
 2 with sigma of 0.04
 H29K-H24M
 2 with sigma of 0.04
 C16B-C18B = C19B-C17B
 2.52 with sigma of 0.04
3. Restrained planarity
 C9L, C14L, C13L, C12L, C11L, C10L, C27L
 with sigma of 0.1
 C15L, C20L, C19L, C18L, C17L, C16L, C40L
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
C34L \\sim C35L \\sim C36L \\sim C37L \\sim C38L \\sim C39L \\sim C40L \\sim
C41L \\sim C42L \\sim C43L \\sim C44L \\sim C45L \\sim C46L: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C33G \\sim C34G \\sim C35G \\sim C36G \\sim C37G \\sim C38G: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C9L \\sim C14L \\sim C13L \\sim C12L \\sim C11L \\sim C10L: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C22B \\sim C23B \\sim C24B \\sim C25B \\sim C26B \\sim C27B: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C22E \\sim C23E \\sim C24E \\sim C25E \\sim C28E \\sim C29E: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C15F \\sim C16F \\sim C18F \\sim C19F \\sim C20F \\sim C30F: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C22F \\sim C23F \\sim C31F \\sim C32F \\sim C33F \\sim C34F: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
Au1 \\sim C1B \\sim C2B \\sim C26A \\sim C27A: within 2A with sigma of 0.01 and
sigma for terminal atoms of 2.5
Au6 \\sim C1I \\sim C1J \\sim C2I \\sim C2J: within 2A with sigma of 0.01 and
sigma for terminal atoms of 2.5
C20I \\sim C28I \\sim C29I \\sim C30I \\sim C31I \\sim C32I: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C22I \\sim C23I \\sim C24I \\sim C25I \\sim C26I \\sim C27I: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C15C \\sim C16C \\sim C17C \\sim C18C \\sim C19C \\sim C20C \\sim C21C \\sim
C22C \\sim C23C \\sim C24C \\sim C25C \\sim C26C \\sim C27C: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C21D \\sim C22D \\sim C23D \\sim C24D \\sim C25D \\sim C26D \\sim C27D: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C15G \\sim C16G \\sim C17G \\sim C18G \\sim C19G \\sim C20G \\sim C21G: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C13A \\sim C14A \\sim C15A \\sim C16A \\sim C17A \\sim C18A \\sim C19A \\sim
C20A \\sim C21A \\sim C22A \\sim C23A \\sim C24A \\sim C25A: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C21H \\sim C22H \\sim C23H \\sim C24H \\sim C25H \\sim C26H \\sim C27H: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C21K \\sim C22K \\sim C23K \\sim C24K \\sim C25K \\sim C26K \\sim C27K: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C15E \\sim C16E \\sim C17E \\sim C18E \\sim C19E \\sim C20E: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C28J \\sim C29J \\sim C30J \\sim C31J \\sim C32J \\sim C33J \\sim C34J \\sim
C35J \\sim C36J \\sim C37J \\sim C38J \\sim C39J \\sim C40J: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C1I \\sim C2I: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C16B \\sim C17B \\sim C18B \\sim C19B \\sim C20B: within 2A with sigma of 0.01
and sigma for terminal atoms of 0.02
Uanis(C46L) \\sim Ueq, Uanis(C45L) \\sim Ueq, Uanis(C44L) \\sim Ueq,
Uanis(C43L) \\sim Ueq, Uanis(C42L) \\sim Ueq, Uanis(C41L) \\sim Ueq,
Uanis(C40L) \\sim Ueq, Uanis(C39L) \\sim Ueq, Uanis(C38L) \\sim Ueq,
Uanis(C37L) \\sim Ueq, Uanis(C36L) \\sim Ueq, Uanis(C35L) \\sim Ueq,
Uanis(C34L) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C38G) \\sim Ueq, Uanis(C37G) \\sim Ueq, Uanis(C36G) \\sim Ueq,
Uanis(C35G) \\sim Ueq, Uanis(C34G) \\sim Ueq, Uanis(C33G) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C9L) \\sim Ueq, Uanis(C10L) \\sim Ueq, Uanis(C11L) \\sim Ueq, Uanis(C12L)
\\sim Ueq, Uanis(C13L) \\sim Ueq, Uanis(C14L) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C2I) \\sim Ueq, Uanis(C1I) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(C2G) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C22G) = Uanis(C33G)
Uanis(C23G) = Uanis(C34G)
Uanis(C24G) = Uanis(C35G)
Uanis(C37G) = Uanis(C26G)
Uanis(C38G) = Uanis(C27G)
Uanis(C25B) = Uanis(C28B)
Uanis(C14L) = Uanis(C20L)
Uanis(C13L) = Uanis(C19L)
Uanis(C12L) = Uanis(C18L)
Uanis(C11L) = Uanis(C17L)
Uanis(C10L) = Uanis(C16L)
Uanis(C9L) = Uanis(C15L)
Uanis(C27L) = Uanis(C40L)
Uanis(C28L) = Uanis(C41L)
Uanis(C29L) = Uanis(C42L)
Uanis(C30L) = Uanis(C43L)
Uanis(C31L) = Uanis(C44L)
Uanis(C32L) = Uanis(C45L)
Uanis(C33L) = Uanis(C46L)
Uanis(C26L) = Uanis(C39L)
Uanis(C25L) = Uanis(C38L)
Uanis(C24L) = Uanis(C37L)
Uanis(C23L) = Uanis(C36L)
Uanis(C22L) = Uanis(C35L)
Uanis(C21L) = Uanis(C34L)
Uanis(C36G) = Uanis(C25G)
Uanis(C26B) = Uanis(C29B)
Uanis(C27B) = Uanis(C30B)
Uanis(C26E) = Uanis(C28E)
Uanis(C27E) = Uanis(C29E)
Uanis(C17F) = Uanis(C30F)
Uanis(C16F) = Uanis(C29F)
Uanis(C15F) = Uanis(C28F)
Uanis(C25F) = Uanis(C32F)
Uanis(C26F) = Uanis(C33F)
Uanis(C27F) = Uanis(C34F)
Uanis(C24F) = Uanis(C31F)
Uanis(C19I) = Uanis(C32I)
Uanis(C18I) = Uanis(C31I)
Uanis(C17I) = Uanis(C30I)
Uanis(C16I) = Uanis(C29I)
Uanis(C15I) = Uanis(C28I)
Uanis(C24I) = Uanis(C33I)
Uanis(C25I) = Uanis(C34I)
Uanis(C26I) = Uanis(C35I)
Uanis(C27I) = Uanis(C36I)
Uanis(C15C) = Uanis(C28C)
Uanis(C16C) = Uanis(C29C)
Uanis(C17C) = Uanis(C30C)
Uanis(C18C) = Uanis(C31C)
Uanis(C19C) = Uanis(C32C)
Uanis(C20C) = Uanis(C33C)
Uanis(C21C) = Uanis(C34C)
Uanis(C22C) = Uanis(C35C)
Uanis(C23C) = Uanis(C36C)
Uanis(C24C) = Uanis(C37C)
Uanis(C25C) = Uanis(C38C)
Uanis(C26C) = Uanis(C39C)
Uanis(C23D) = Uanis(C28D)
Uanis(C24D) = Uanis(C5FB)
Uanis(C25D) = Uanis(C29D)
Uanis(C26D) = Uanis(C30D)
Uanis(C19G) = Uanis(C32G)
Uanis(C18G) = Uanis(C31G)
Uanis(C17G) = Uanis(C30G)
Uanis(C16G) = Uanis(C29G)
Uanis(C15G) = Uanis(C28G)
Uanis(C13A) = Uanis(C28A)
Uanis(C14A) = Uanis(C29A)
Uanis(C15A) = Uanis(C30A)
Uanis(C16A) = Uanis(C31A)
Uanis(C17A) = Uanis(C32A)
Uanis(C18A) = Uanis(C33A)
Uanis(C19A) = Uanis(C34A)
Uanis(C20A) = Uanis(C35A)
Uanis(C21A) = Uanis(C36A)
Uanis(C22A) = Uanis(C37A)
Uanis(C25A) = Uanis(C38A)
Uanis(C23A) = Uanis(C39A)
Uanis(C24A) = Uanis(C40A)
Uanis(C22H) = Uanis(C28H)
Uanis(C23H) = Uanis(C29H)
Uanis(C24H) = Uanis(C30H)
Uanis(C25H) = Uanis(C31H)
Uanis(C26H) = Uanis(C32H)
Uanis(C27H) = Uanis(C33H)
Uanis(C24K) = Uanis(C28K)
Uanis(C25K) = Uanis(C29K)
Uanis(C26K) = Uanis(C30K)
Uanis(C27K) = Uanis(C31K)
Uanis(C27J) = Uanis(C40J)
Uanis(C25J) = Uanis(C38J)
Uanis(C46J) = Uanis(C39J)
Uanis(C19J) = Uanis(C32J)
Uanis(C18J) = Uanis(C31J)
Uanis(C22J) = Uanis(C35J)
Uanis(C17J) = Uanis(C30J)
Uanis(C16J) = Uanis(C29J)
Uanis(C28J) = Uanis(C15J)
Uanis(C24J) = Uanis(C37J)
Uanis(C21J) = Uanis(C34J)
Uanis(C23J) = Uanis(C36J)
Uanis(C20J) = Uanis(C33J)
Uanis(C27C) = Uanis(C40C)
5. Others
 Sof(C33G)=Sof(H33G)=Sof(H33H)=Sof(C34G)=Sof(H34D)=Sof(H34E)=Sof(C35G)=
 Sof(H35E)=Sof(H35F)=Sof(C36G)=Sof(H36E)=Sof(H36F)=Sof(C37G)=Sof(H37E)=
 Sof(H37F)=Sof(C38G)=Sof(H38E)=Sof(H38F)=Sof(H38G)=1-FVAR(1)
 Sof(C22G)=Sof(H22O)=Sof(H22P)=Sof(C23G)=Sof(H23O)=Sof(H23P)=Sof(C24G)=
 Sof(H24P)=Sof(H24Q)=Sof(C25G)=Sof(H25O)=Sof(H25P)=Sof(C26G)=Sof(H26L)=
 Sof(H26M)=Sof(C27G)=Sof(H27M)=Sof(H27N)=Sof(H27O)=FVAR(1)
 Sof(H24F)=Sof(H24G)=Sof(C28B)=Sof(H28D)=Sof(H28E)=Sof(C29B)=Sof(H29C)=
 Sof(H29D)=1-FVAR(2)
 Sof(H24D)=Sof(H24E)=Sof(C25B)=Sof(H25C)=Sof(H25D)=Sof(C26B)=Sof(H26A)=
 Sof(H26B)=FVAR(2)
 Sof(C15L)=Sof(C20L)=Sof(C19L)=Sof(H19L)=Sof(C18L)=Sof(H18L)=Sof(C17L)=
 Sof(H17L)=Sof(C16L)=Sof(H16L)=Sof(C34L)=Sof(H34H)=Sof(H34I)=Sof(H34J)=
 Sof(C35L)=Sof(H35K)=Sof(H35L)=Sof(C36L)=Sof(H36L)=Sof(H36M)=Sof(C37L)=
 Sof(H37I)=Sof(H37J)=Sof(C38L)=Sof(H38J)=Sof(H38K)=Sof(C39L)=Sof(H39G)=
 Sof(H39H)=Sof(C40L)=Sof(C41L)=Sof(H41A)=Sof(H41B)=Sof(C42L)=Sof(H42A)=
 Sof(H42B)=Sof(C43L)=Sof(H43A)=Sof(H43B)=Sof(C44L)=Sof(H44A)=Sof(H44B)=
 Sof(C45L)=Sof(H45A)=Sof(H45B)=Sof(C46L)=Sof(H46C)=Sof(H46D)=Sof(H46E)=1-FVAR(3)
 Sof(C9L)=Sof(C14L)=Sof(C13L)=Sof(H13L)=Sof(C12L)=Sof(H12L)=Sof(C11L)=
 Sof(H11L)=Sof(C10L)=Sof(H10L)=Sof(C21L)=Sof(H21G)=Sof(H21H)=Sof(H21I)=
 Sof(C22L)=Sof(H22Y)=Sof(HD)=Sof(C23L)=Sof(H23Z)=Sof(HH)=Sof(C24L)=Sof(H24Z)=
 Sof(HI)=Sof(C25L)=Sof(H25Y)=Sof(HJ)=Sof(C26L)=Sof(H26T)=Sof(H26U)=Sof(C27L)=
 Sof(C28L)=Sof(H28)=Sof(HO)=Sof(C29L)=Sof(H29X)=Sof(H29Y)=Sof(C30L)=Sof(H30W)=
 Sof(H30X)=Sof(C31L)=Sof(H31R)=Sof(H31S)=Sof(C32L)=Sof(H32O)=Sof(H32P)=
 Sof(C33L)=Sof(H33P)=Sof(H33Q)=Sof(H33R)=FVAR(3)
 Sof(C30B)=Sof(H30C)=Sof(H30D)=Sof(H30E)=1-FVAR(4)
 Sof(C27B)=Sof(H27A)=Sof(H27B)=Sof(H27C)=FVAR(4)
 Sof(H25K)=Sof(H25L)=Sof(C28E)=Sof(H28K)=Sof(H28L)=Sof(C29E)=Sof(H29I)=
 Sof(H29J)=Sof(H29K)=1-FVAR(5)
 Sof(H25I)=Sof(H25J)=Sof(C26E)=Sof(H26H)=Sof(H26I)=Sof(C27E)=Sof(H27G)=
 Sof(H27H)=Sof(H27I)=FVAR(5)
 Sof(H18N)=Sof(H18O)=Sof(C28F)=Sof(H28M)=Sof(H28N)=Sof(H28O)=Sof(C29F)=
 Sof(H29L)=Sof(H29M)=Sof(C30F)=Sof(H30K)=Sof(H30L)=1-FVAR(6)
 Sof(C15F)=Sof(H15L)=Sof(H15M)=Sof(H15N)=Sof(C16F)=Sof(H16M)=Sof(H16N)=
 Sof(C17F)=Sof(H17K)=Sof(H17M)=Sof(H18K)=Sof(H18M)=FVAR(6)
 Sof(H23M)=Sof(H23N)=Sof(C31F)=Sof(H31E)=Sof(H31F)=Sof(C32F)=Sof(H32E)=
 Sof(H32F)=Sof(C33F)=Sof(H33E)=Sof(H33F)=Sof(C34F)=Sof(H34A)=Sof(H34B)=
 Sof(H34C)=1-FVAR(7)
 Sof(H23K)=Sof(H23L)=Sof(C24F)=Sof(H24N)=Sof(H24O)=Sof(C25F)=Sof(H25M)=
 Sof(H25N)=Sof(C26F)=Sof(H26J)=Sof(H26K)=Sof(C27F)=Sof(H27J)=Sof(H27K)=
 Sof(H27L)=FVAR(7)
 Sof(C28J)=Sof(H28X)=Sof(H28Y)=Sof(HM)=Sof(C29J)=Sof(H29T)=Sof(H29U)=Sof(C30J)=
 Sof(H30S)=Sof(H30T)=Sof(C31J)=Sof(H31M)=Sof(H31N)=Sof(C32J)=Sof(H32M)=
 Sof(H32N)=Sof(C33J)=Sof(H33N)=Sof(H33O)=Sof(C34J)=Sof(C35J)=Sof(H35I)=
 Sof(H35J)=Sof(C36J)=Sof(H36J)=Sof(H36K)=Sof(C37J)=Sof(H37G)=Sof(H37H)=
 Sof(C38J)=Sof(H38H)=Sof(H38I)=Sof(C39J)=Sof(H39E)=Sof(H39F)=Sof(C40J)=
 Sof(H40G)=Sof(H40H)=Sof(H40I)=1-FVAR(8)
 Sof(C15J)=Sof(H15X)=Sof(H15Y)=Sof(H)=Sof(C16J)=Sof(H16U)=Sof(H16V)=Sof(C17J)=
 Sof(H17T)=Sof(H17U)=Sof(C18J)=Sof(H18V)=Sof(H18W)=Sof(C19J)=Sof(H19R)=
 Sof(H19S)=Sof(C20J)=Sof(H20W)=Sof(H20X)=Sof(C21J)=Sof(C22J)=Sof(H22U)=
 Sof(H22V)=Sof(C23J)=Sof(H23W)=Sof(H23X)=Sof(C24J)=Sof(H24V)=Sof(H24W)=
 Sof(C25J)=Sof(H25U)=Sof(H25V)=Sof(C46J)=Sof(H46A)=Sof(H46B)=Sof(C27J)=
 Sof(H27V)=Sof(H27W)=Sof(H27X)=FVAR(8)
 Sof(H20U)=Sof(H20V)=Sof(C28I)=Sof(H28U)=Sof(H28V)=Sof(H28W)=Sof(C29I)=
 Sof(H29R)=Sof(H29S)=Sof(C30I)=Sof(H30Q)=Sof(H30R)=Sof(C31I)=Sof(H31K)=
 Sof(H31L)=Sof(C32I)=Sof(H32K)=Sof(H32L)=1-FVAR(9)
 Sof(C15I)=Sof(H15U)=Sof(H15V)=Sof(H15W)=Sof(C16I)=Sof(H16S)=Sof(H16T)=
 Sof(C17I)=Sof(H17R)=Sof(H17S)=Sof(C18I)=Sof(H18T)=Sof(H18U)=Sof(C19I)=
 Sof(H19P)=Sof(H19Q)=Sof(H20S)=Sof(H20T)=FVAR(9)
 Sof(H23U)=Sof(H23V)=Sof(C33I)=Sof(H33L)=Sof(H33M)=Sof(C34I)=Sof(H34F)=
 Sof(H34G)=Sof(C35I)=Sof(H35G)=Sof(H35H)=Sof(C36I)=Sof(H36G)=Sof(H36H)=
 Sof(H36I)=1-FVAR(10)
 Sof(H23S)=Sof(H23T)=Sof(C24I)=Sof(H24T)=Sof(H24U)=Sof(C25I)=Sof(H25S)=
 Sof(H25T)=Sof(C26I)=Sof(H26P)=Sof(H26Q)=Sof(C27I)=Sof(H27S)=Sof(H27T)=
 Sof(H27U)=FVAR(10)
 Sof(C28C)=Sof(H28F)=Sof(H28G)=Sof(H28H)=Sof(C29C)=Sof(H29E)=Sof(H29F)=
 Sof(C30C)=Sof(H30F)=Sof(H30G)=Sof(C31C)=Sof(H31C)=Sof(H31D)=Sof(C32C)=
 Sof(H32C)=Sof(H32D)=Sof(C33C)=Sof(H33C)=Sof(H33D)=Sof(C34C)=Sof(C35C)=
 Sof(H35C)=Sof(H35D)=Sof(C36C)=Sof(H36C)=Sof(H36D)=Sof(C37C)=Sof(H37C)=
 Sof(H37D)=Sof(C38C)=Sof(H38C)=Sof(H38D)=Sof(C39C)=Sof(H39C)=Sof(H39D)=
 Sof(C40C)=Sof(H40D)=Sof(H40E)=Sof(H40F)=1-FVAR(11)
 Sof(C15C)=Sof(H15C)=Sof(H15D)=Sof(H15E)=Sof(C16C)=Sof(H16F)=Sof(H16G)=
 Sof(C17C)=Sof(H17E)=Sof(H17F)=Sof(C18C)=Sof(H18E)=Sof(H18F)=Sof(C19C)=
 Sof(H19C)=Sof(H19D)=Sof(C20C)=Sof(H20E)=Sof(H20F)=Sof(C21C)=Sof(C22C)=
 Sof(H22E)=Sof(H22F)=Sof(C23C)=Sof(H23E)=Sof(H23F)=Sof(C24C)=Sof(H24H)=
 Sof(H24I)=Sof(C25C)=Sof(H25E)=Sof(H25F)=Sof(C26C)=Sof(H26C)=Sof(H26D)=
 Sof(C27C)=Sof(H27D)=Sof(H27E)=Sof(H27F)=FVAR(11)
 Sof(C5FB)=Sof(H5FA)=Sof(H5FB)=Sof(H22I)=Sof(H22J)=Sof(C28D)=Sof(H28I)=
 Sof(H28J)=Sof(C29D)=Sof(H29G)=Sof(H29H)=Sof(C30D)=Sof(H30H)=Sof(H30I)=
 Sof(H30J)=1-FVAR(12)
 Sof(H22G)=Sof(H22H)=Sof(C23D)=Sof(H23G)=Sof(H23H)=Sof(C24D)=Sof(H24J)=
 Sof(H24K)=Sof(C25D)=Sof(H25G)=Sof(H25H)=Sof(C26D)=Sof(H26E)=Sof(H26F)=
 Sof(H26G)=FVAR(12)
 Sof(H20O)=Sof(H20P)=Sof(C28G)=Sof(H28P)=Sof(H28Q)=Sof(H28R)=Sof(C29G)=
 Sof(H29N)=Sof(H29O)=Sof(C30G)=Sof(H30M)=Sof(H30N)=Sof(C31G)=Sof(H31G)=
 Sof(H31H)=Sof(C32G)=Sof(H32G)=Sof(H32H)=1-FVAR(13)
 Sof(C15G)=Sof(H15O)=Sof(H15P)=Sof(H15Q)=Sof(C16G)=Sof(H16O)=Sof(H16P)=
 Sof(C17G)=Sof(H17N)=Sof(H17O)=Sof(C18G)=Sof(H18P)=Sof(H18Q)=Sof(C19G)=
 Sof(H19K)=Sof(H19M)=Sof(H20M)=Sof(H20N)=FVAR(13)
 Sof(C28A)=Sof(H28A)=Sof(H28B)=Sof(H28C)=Sof(C29A)=Sof(H29A)=Sof(H29B)=
 Sof(C30A)=Sof(H30A)=Sof(H30B)=Sof(C31A)=Sof(H31A)=Sof(H31B)=Sof(C32A)=
 Sof(H32A)=Sof(H32B)=Sof(C33A)=Sof(H33A)=Sof(H33B)=Sof(C34A)=Sof(C35A)=
 Sof(H35A)=Sof(H35B)=Sof(C36A)=Sof(H36A)=Sof(H36B)=Sof(C37A)=Sof(H37A)=
 Sof(H37B)=Sof(C38A)=Sof(H38A)=Sof(H38B)=Sof(C39A)=Sof(H39A)=Sof(H39B)=
 Sof(C40A)=Sof(H40A)=Sof(H40B)=Sof(H40C)=1-FVAR(14)
 Sof(C13A)=Sof(H13A)=Sof(H13B)=Sof(H13C)=Sof(C14A)=Sof(H14A)=Sof(H14B)=
 Sof(C15A)=Sof(H15A)=Sof(H15B)=Sof(C16A)=Sof(H16A)=Sof(H16B)=Sof(C17A)=
 Sof(H17A)=Sof(H17B)=Sof(C18A)=Sof(H18A)=Sof(H18B)=Sof(C19A)=Sof(C20A)=
 Sof(H20A)=Sof(H20B)=Sof(C21A)=Sof(H21A)=Sof(H21B)=Sof(C22A)=Sof(H22A)=
 Sof(H22B)=Sof(C23A)=Sof(H23A)=Sof(H23B)=Sof(C24A)=Sof(H24A)=Sof(H24B)=
 Sof(H24C)=Sof(C25A)=Sof(H25A)=Sof(H25B)=FVAR(14)
 Sof(C28H)=Sof(H28S)=Sof(H28T)=Sof(C29H)=Sof(H29P)=Sof(H29Q)=Sof(C30H)=
 Sof(H30O)=Sof(H30P)=Sof(C31H)=Sof(H31I)=Sof(H31J)=Sof(C32H)=Sof(H32I)=
 Sof(H32J)=Sof(C33H)=Sof(H33I)=Sof(H33J)=Sof(H33K)=1-FVAR(15)
 Sof(C22H)=Sof(H22Q)=Sof(H22R)=Sof(C23H)=Sof(H23Q)=Sof(H23R)=Sof(C24H)=
 Sof(H24R)=Sof(H24S)=Sof(C25H)=Sof(H25Q)=Sof(H25R)=Sof(C26H)=Sof(H26N)=
 Sof(H26O)=Sof(C27H)=Sof(H27P)=Sof(H27Q)=Sof(H27R)=FVAR(15)
 Sof(HF)=Sof(HG)=Sof(C28K)=Sof(H28Z)=Sof(HN)=Sof(C29K)=Sof(H29V)=Sof(H29W)=
 Sof(C30K)=Sof(H30U)=Sof(H30V)=Sof(C31K)=Sof(H31O)=Sof(H31P)=Sof(H31Q)=1-
 FVAR(16)
 Sof(H23Y)=Sof(HE)=Sof(C24K)=Sof(H24X)=Sof(H24Y)=Sof(C25K)=Sof(H25W)=Sof(H25X)=
 Sof(C26K)=Sof(H26R)=Sof(H26S)=Sof(C27K)=Sof(H27Y)=Sof(HK)=Sof(HL)=FVAR(16)
 Fixed X: C40C(0.57918)
 Fixed Y: C40C(1.057509)
 Fixed Z: C40C(0.320061)
6.a Secondary CH2 refined with riding coordinates:
 C5FB(H5FA,H5FB), C14A(H14A,H14B), C15A(H15A,H15B), C16A(H16A,H16B), C16C(H16F,
 H16G), C16D(H16H,H16I), C16E(H16J,H16K), C16F(H16M,H16N), C16G(H16O,H16P),
 C16H(H16Q,H16R), C16I(H16S,H16T), C16J(H16U,H16V), C16K(H16W,H16X), C17A(H17A,
 H17B), C17B(H17C,H17D), C17C(H17E,H17F), C17D(H17G,H17H), C17E(H17I,H17J),
 C17F(H17K,H17M), C17G(H17N,H17O), C17H(H17P,H17Q), C17I(H17R,H17S), C17J(H17T,
 H17U), C17K(H17V,H17W), C18A(H18A,H18B), C18B(H18C,H18D), C18C(H18E,H18F),
 C18D(H18G,H18H), C18E(H18I,H18J), C18F(H18K,H18M), C18F(H18N,H18O), C18G(H18P,
 H18Q), C18H(H18R,H18S), C18I(H18T,H18U), C18J(H18V,H18W), C18K(H18X,H18Y),
 C19B(H19A,H19B), C19C(H19C,H19D), C19D(H19E,H19F), C19E(H19G,H19H), C19F(H19I,
 H19J), C19G(H19K,H19M), C19H(H19N,H19O), C19I(H19P,H19Q), C19J(H19R,H19S),
 C19K(H19T,H19U), C20A(H20A,H20B), C20B(H20C,H20D), C20C(H20E,H20F), C20D(H20G,
 H20H), C20E(H20I,H20J), C20F(H20K,H20L), C20G(H20M,H20N), C20G(H20O,H20P),
 C20H(H20Q,H20R), C20I(H20S,H20T), C20I(H20U,H20V), C20J(H20W,H20X), C20K(H20Y,
 HC), C21A(H21A,H21B), C21B(H21C,H21D), C21D(H21E,H21F), C22A(H22A,H22B),
 C22B(H22C,H22D), C22C(H22E,H22F), C22D(H22G,H22H), C22D(H22I,H22J), C22E(H22K,
 H22L), C22F(H22M,H22N), C22G(H22O,H22P), C22H(H22Q,H22R), C22I(H22S,H22T),
 C22J(H22U,H22V), C22K(H22W,H22X), C22L(H22Y,HD), C23A(H23A,H23B), C23B(H23C,
 H23D), C23C(H23E,H23F), C23D(H23G,H23H), C23E(H23I,H23J), C23F(H23K,H23L),
 C23F(H23M,H23N), C23G(H23O,H23P), C23H(H23Q,H23R), C23I(H23S,H23T), C23I(H23U,
 H23V), C23J(H23W,H23X), C23K(H23Y,HE), C23K(HF,HG), C23L(H23Z,HH), C24B(H24D,
 H24E), C24B(H24F,H24G), C24C(H24H,H24I), C24D(H24J,H24K), C24E(H24L,H24M),
 C24F(H24N,H24O), C24G(H24P,H24Q), C24H(H24R,H24S), C24I(H24T,H24U), C24J(H24V,
 H24W), C24K(H24X,H24Y), C24L(H24Z,HI), C25A(H25A,H25B), C25B(H25C,H25D),
 C25C(H25E,H25F), C25D(H25G,H25H), C25E(H25I,H25J), C25E(H25K,H25L), C25F(H25M,
 H25N), C25G(H25O,H25P), C25H(H25Q,H25R), C25I(H25S,H25T), C25J(H25U,H25V),
 C25K(H25W,H25X), C25L(H25Y,HJ), C26B(H26A,H26B), C26C(H26C,H26D), C26E(H26H,
 H26I), C26F(H26J,H26K), C26G(H26L,H26M), C26H(H26N,H26O), C26I(H26P,H26Q),
 C46J(H46A,H46B), C26K(H26R,H26S), C26L(H26T,H26U), C28B(H28D,H28E), C28D(H28I,
 H28J), C28E(H28K,H28L), C28H(H28S,H28T), C28K(H28Z,HN), C28L(H28,HO),
 C29A(H29A,H29B), C29B(H29C,H29D), C29C(H29E,H29F), C29D(H29G,H29H), C29F(H29L,
 H29M), C29G(H29N,H29O), C29H(H29P,H29Q), C29I(H29R,H29S), C29J(H29T,H29U),
 C29K(H29V,H29W), C29L(H29X,H29Y), C30A(H30A,H30B), C30C(H30F,H30G), C30F(H30K,
 H30L), C30G(H30M,H30N), C30H(H30O,H30P), C30I(H30Q,H30R), C30J(H30S,H30T),
 C30K(H30U,H30V), C30L(H30W,H30X), C31A(H31A,H31B), C31C(H31C,H31D), C31F(H31E,
 H31F), C31G(H31G,H31H), C31H(H31I,H31J), C31I(H31K,H31L), C31J(H31M,H31N),
 C31L(H31R,H31S), C32A(H32A,H32B), C32C(H32C,H32D), C32F(H32E,H32F), C32G(H32G,
 H32H), C32H(H32I,H32J), C32I(H32K,H32L), C32J(H32M,H32N), C32L(H32O,H32P),
 C33A(H33A,H33B), C33C(H33C,H33D), C33F(H33E,H33F), C33G(H33G,H33H), C33I(H33L,
 H33M), C33J(H33N,H33O), C34G(H34D,H34E), C34I(H34F,H34G), C35A(H35A,H35B),
 C35C(H35C,H35D), C35G(H35E,H35F), C35I(H35G,H35H), C35J(H35I,H35J), C35L(H35K,
 H35L), C36A(H36A,H36B), C36C(H36C,H36D), C36G(H36E,H36F), C36J(H36J,H36K),
 C36L(H36L,H36M), C37A(H37A,H37B), C37C(H37C,H37D), C37G(H37E,H37F), C37J(H37G,
 H37H), C37L(H37I,H37J), C38A(H38A,H38B), C38C(H38C,H38D), C38J(H38H,H38I),
 C38L(H38J,H38K), C39A(H39A,H39B), C39C(H39C,H39D), C39J(H39E,H39F), C39L(H39G,
 H39H), C41L(H41A,H41B), C42L(H42A,H42B), C43L(H43A,H43B), C44L(H44A,H44B),
 C45L(H45A,H45B)
6.b Aromatic/amide H refined with riding coordinates:
 C2A(H2A), C3A(H3A), C4A(H4A), C4B(H4B), C4C(H4C), C4D(H4D), C4E(H4E),
 C4F(H4F), C4G(H4G), C4H(H4H), C4I(H4I), C4J(H4J), C4K(H4K), C4L(H4L), C5A(H5A),
  C5H(H5H), C6B(H6B), C6C(H6C), C6D(H6D), C6E(H6E), C6F(H6F), C6G(H6G),
 C6I(H6I), C6J(H6J), C6K(H6K), C6L(H6L), C7B(H7B), C7C(H7C), C7D(H7D), C7E(H7E),
  C7F(H7F), C7G(H7G), C7I(H7I), C7J(H7J), C7K(H7K), C7L(H7L), C8A(H8A),
 C8H(H8H), C9A(H9A), C13L(H13L), C12L(H12L), C11L(H11L), C10L(H10L), C10B(H10B),
  C10C(H10C), C10D(H10D), C10E(H10E), C10F(H10F), C10G(H10G), C10H(H10H),
 C10I(H10I), C10J(H10J), C10K(H10K), C11A(H11A), C11B(H11B), C11C(H11C),
 C11D(H11D), C11E(H11E), C11F(H11F), C11G(H11G), C11H(H11H), C11I(H11I),
 C11J(H11J), C11K(H11K), C12B(H12B), C12C(H12C), C12D(H12D), C12E(H12E),
 C12F(H12F), C12G(H12G), C12H(H12H), C12I(H12I), C12J(H12J), C12K(H12K),
 C13B(H13D), C13C(H13E), C13D(H13F), C13E(H13G), C13F(H13H), C13G(H13I),
 C13H(H13J), C13I(H13K), C13J(H13M), C13K(H13N), C19L(H19L), C18L(H18L),
 C17L(H17L), C16L(H16L)
6.c Fitted hexagon refined as free rotating group:
 C9L(C14L,C13L,C12L,C11L,C10L), C15L(C20L,C19L,C18L,C17L,C16L)
6.d Idealised Me refined as rotating group:
 C13A(H13A,H13B,H13C), C15C(H15C,H15D,H15E), C15D(H15F,H15G,H15H), C15E(H15I,
 H15J,H15K), C15F(H15L,H15M,H15N), C15G(H15O,H15P,H15Q), C15H(H15R,H15S,H15T),
 C15I(H15U,H15V,H15W), C15J(H15X,H15Y,H), C15K(H15Z,HA,HB), C16B(H16C,H16D,
 H16E), C21L(H21G,H21H,H21I), C24A(H24A,H24B,H24C), C26D(H26E,H26F,H26G),
 C27B(H27A,H27B,H27C), C27C(H27D,H27E,H27F), C27E(H27G,H27H,H27I), C27F(H27J,
 H27K,H27L), C27G(H27M,H27N,H27O), C27H(H27P,H27Q,H27R), C27I(H27S,H27T,H27U),
 C27J(H27V,H27W,H27X), C27K(H27Y,HK,HL), C28A(H28A,H28B,H28C), C28C(H28F,H28G,
 H28H), C28F(H28M,H28N,H28O), C28G(H28P,H28Q,H28R), C28I(H28U,H28V,H28W),
 C28J(H28X,H28Y,HM), C29E(H29I,H29J,H29K), C30B(H30C,H30D,H30E), C30D(H30H,H30I,
 H30J), C31K(H31O,H31P,H31Q), C33H(H33I,H33J,H33K), C33L(H33P,H33Q,H33R),
 C34F(H34A,H34B,H34C), C34L(H34H,H34I,H34J), C36I(H36G,H36H,H36I), C38G(H38E,
 H38F,H38G), C40A(H40A,H40B,H40C), C40C(H40D,H40E,H40F), C40J(H40G,H40H,H40I),
 C46L(H46C,H46D,H46E)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.63229(2) 0.81303(2) 0.48732(2) 0.09769(11) Uani 1 1 d . U . . .
Au2 Au 0.61778(2) 0.65920(2) 0.48418(2) 0.09082(11) Uani 1 1 d . . . . .
Au3 Au 0.60557(2) 0.54321(2) 0.43371(2) 0.10184(12) Uani 1 1 d . . . . .
Au4 Au 0.59673(2) 0.65811(2) 0.56861(2) 0.10137(12) Uani 1 1 d . . . . .
Au5 Au 0.62562(2) 0.59875(2) 0.55283(2) 0.09229(11) Uani 1 1 d . . . . .
Au6 Au 0.65513(2) 0.47172(2) 0.58631(2) 0.11690(15) Uani 1 1 d D U . . .
C1A C 0.65628(10) 0.9435(5) 0.34425(16) 0.112(3) Uani 1 1 d . . . . .
C1B C 0.63600(9) 0.8330(4) 0.52882(16) 0.097(2) Uani 1 1 d . U . . .
C1C C 0.60551(9) 0.6162(4) 0.40607(15) 0.095(2) Uani 1 1 d . . . . .
C1D C 0.60459(9) 0.4594(5) 0.45696(15) 0.096(3) Uani 1 1 d . . . . .
C1E C 0.65237(9) 0.6569(4) 0.58282(15) 0.085(2) Uani 1 1 d . . . . .
C1F C 0.59789(10) 0.5470(4) 0.52087(16) 0.098(3) Uani 1 1 d . . . . .
C1G C 0.60522(11) 0.5945(4) 0.60518(18) 0.109(3) Uani 1 1 d . . . . .
C1H C 0.58648(10) 0.7314(5) 0.53461(14) 0.099(3) Uani 1 1 d . . . . .
C1I C 0.65244(9) 0.4699(5) 0.62193(12) 0.1089(6) Uani 1 1 d D U . . .
C1J C 0.66051(11) 0.4607(5) 0.5525(2) 0.116(3) Uani 1 1 d . U . . .
C1K C 0.65022(10) 0.6496(5) 0.51164(18) 0.110(3) Uani 1 1 d . . . . .
C1L C 0.58591(9) 0.6686(4) 0.45895(15) 0.091(3) Uani 1 1 d . . . . .
C2A C 0.66536(11) 0.9694(6) 0.32979(17) 0.130(4) Uani 1 1 d . . . . .
H2A H 0.679995 0.980622 0.343157 0.156 Uiso 1 1 calc R . . . .
C2B C 0.63717(8) 0.8516(4) 0.55301(13) 0.0829(19) Uani 1 1 d . U . . .
C2C C 0.60495(11) 0.6498(5) 0.38481(18) 0.114(3) Uani 1 1 d . . . . .
C2D C 0.60427(9) 0.4070(4) 0.47148(15) 0.094(3) Uani 1 1 d . . . . .
C2E C 0.66811(10) 0.6888(4) 0.60138(16) 0.087(3) Uani 1 1 d . . . . .
C2F C 0.58094(11) 0.5197(4) 0.50189(17) 0.104(3) Uani 1 1 d . . . . .
C2G C 0.60788(10) 0.5642(4) 0.62814(17) 0.103(2) Uani 1 1 d . U . . .
C2H C 0.58123(9) 0.7801(4) 0.51558(15) 0.098(3) Uani 1 1 d . . . . .
C2I C 0.65240(9) 0.4612(4) 0.64539(12) 0.0993(6) Uani 1 1 d D U . . .
C2J C 0.66464(12) 0.4553(5) 0.5331(2) 0.121(3) Uani 1 1 d . U . . .
C2K C 0.66858(10) 0.6529(5) 0.52928(18) 0.112(3) Uani 1 1 d . . . . .
C2L C 0.56739(8) 0.6702(4) 0.44528(14) 0.086(3) Uani 1 1 d . . . . .
C3A C 0.65292(13) 0.9787(6) 0.29592(18) 0.139(4) Uani 1 1 d . . . . .
H3A H 0.659250 0.993150 0.285870 0.166 Uiso 1 1 calc R . . . .
C3B C 0.63332(8) 0.8693(3) 0.62181(12) 0.0680(19) Uani 1 1 d . . . . .
C3C C 0.57833(10) 0.6990(6) 0.29666(16) 0.120(3) Uani 1 1 d . . . . .
C3D C 0.60988(9) 0.2750(4) 0.52975(17) 0.093(3) Uani 1 1 d . . . . .
C3E C 0.71045(9) 0.8220(4) 0.65424(17) 0.093(3) Uani 1 1 d . . . . .
C3F C 0.53257(10) 0.4194(4) 0.43897(17) 0.105(3) Uani 1 1 d . . . . .
C3G C 0.61648(10) 0.5768(4) 0.70826(18) 0.103(3) Uani 1 1 d . . . . .
C3H C 0.57264(10) 0.8454(4) 0.49488(15) 0.095(3) Uani 1 1 d . . . . .
C3I C 0.65408(9) 0.3262(4) 0.70068(17) 0.090(3) Uani 1 1 d . . . . .
C3J C 0.66894(11) 0.4585(6) 0.4636(2) 0.141(4) Uani 1 1 d D . . . .
C3K C 0.72559(9) 0.6084(4) 0.58434(18) 0.100(3) Uani 1 1 d . . . . .
C3L C 0.51213(8) 0.7030(5) 0.41387(14) 0.111(3) Uani 1 1 d D . . . .
C4A C 0.63162(12) 0.9674(5) 0.27666(17) 0.131(4) Uani 1 1 d . . . . .
H4A H 0.623133 0.976928 0.253579 0.157 Uiso 1 1 calc R . . . .
C4B C 0.63100(7) 0.8396(3) 0.59516(13) 0.0705(19) Uani 1 1 d . . . . .
H4B H 0.624882 0.793806 0.587313 0.085 Uiso 1 1 calc R . . . .
C4C C 0.58161(10) 0.6762(6) 0.32570(17) 0.124(4) Uani 1 1 d . . . . .
H4C H 0.569922 0.662635 0.325184 0.149 Uiso 1 1 calc R . . . .
C4D C 0.61233(10) 0.3366(4) 0.51786(17) 0.100(3) Uani 1 1 d . . . . .
H4D H 0.620649 0.374545 0.532464 0.120 Uiso 1 1 calc R . . . .
C4E C 0.69080(9) 0.7935(4) 0.63322(16) 0.087(3) Uani 1 1 d . . . . .
H4E H 0.678602 0.822213 0.624049 0.105 Uiso 1 1 calc R . . . .
C4F C 0.55360(10) 0.4341(5) 0.46157(17) 0.119(3) Uani 1 1 d . . . . .
H4F H 0.564051 0.403317 0.464411 0.143 Uiso 1 1 calc R . . . .
C4G C 0.61505(10) 0.5944(4) 0.68146(16) 0.095(3) Uani 1 1 d . . . . .
H4G H 0.617485 0.641885 0.678265 0.114 Uiso 1 1 calc R . . . .
C4H C 0.55652(11) 0.8846(4) 0.49226(16) 0.114(3) Uani 1 1 d . . . . .
H4H H 0.551702 0.870870 0.504636 0.137 Uiso 1 1 calc R . . . .
C4I C 0.65246(10) 0.3563(4) 0.67479(17) 0.099(3) Uani 1 1 d . . . . .
H4I H 0.649634 0.327377 0.657197 0.119 Uiso 1 1 calc R . . . .
C4J C 0.66148(12) 0.4720(5) 0.4820(2) 0.135(4) Uani 1 1 d . . . . .
H4J H 0.649999 0.503780 0.473566 0.162 Uiso 1 1 calc R . . . .
C4K C 0.70415(9) 0.6015(4) 0.56023(17) 0.100(3) Uani 1 1 d . . . . .
H4K H 0.698482 0.556547 0.550082 0.120 Uiso 1 1 calc R . . . .
C4L C 0.53370(9) 0.7109(5) 0.43188(15) 0.111(3) Uani 1 1 d . . . . .
H4L H 0.540819 0.746411 0.448568 0.133 Uiso 1 1 calc R . . . .
C5A C 0.62230(11) 0.9418(5) 0.29078(16) 0.124(3) Uani 1 1 d . . . . .
H5A H 0.607516 0.933175 0.277334 0.148 Uiso 1 1 calc R . . . .
C5B C 0.63786(8) 0.8783(4) 0.57976(13) 0.077(2) Uani 1 1 d . . . . .
C5C C 0.60204(11) 0.6733(5) 0.35534(16) 0.107(3) Uani 1 1 d . . . . .
C5D C 0.60252(10) 0.3424(4) 0.48438(18) 0.104(3) Uani 1 1 d . . . . .
C5E C 0.68880(9) 0.7205(4) 0.62521(15) 0.082(2) Uani 1 1 d . . . . .
C5F C 0.55919(9) 0.4962(4) 0.48039(17) 0.098(3) Uani 1 1 d . . . . .
C5FB C 0.68679(13) 0.2670(7) 0.5903(5) 0.242(4) Uani 0.435(8) 1 d D . P A 2
H5FA H 0.687181 0.297447 0.606543 0.291 Uiso 0.435(8) 1 calc R . P A 2
H5FB H 0.679558 0.293652 0.569249 0.291 Uiso 0.435(8) 1 calc R . P A 2
C5G C 0.60989(10) 0.5413(4) 0.65795(18) 0.104(3) Uani 1 1 d . . . . .
C5H C 0.54794(12) 0.9423(5) 0.47184(18) 0.122(3) Uani 1 1 d . . . . .
H5H H 0.536996 0.968334 0.469799 0.146 Uiso 1 1 calc R . . . .
C5I C 0.65500(9) 0.4306(4) 0.67409(15) 0.097(3) Uani 1 1 d D . . . .
C5J C 0.67075(12) 0.4393(5) 0.5126(2) 0.129(4) Uani 1 1 d . . . . .
C5K C 0.69070(9) 0.6588(4) 0.55051(17) 0.094(3) Uani 1 1 d . . . . .
C5L C 0.54512(8) 0.6672(4) 0.42573(13) 0.085(2) Uani 1 1 d . . . . .
C6A C 0.63457(10) 0.9294(5) 0.32412(14) 0.107(3) Uani 1 1 d . . . . .
C6B C 0.64692(9) 0.9463(4) 0.59233(14) 0.084(2) Uani 1 1 d . . . . .
H6B H 0.651374 0.973279 0.581774 0.100 Uiso 1 1 calc R . . . .
C6C C 0.61881(11) 0.6913(5) 0.35517(17) 0.117(3) Uani 1 1 d . . . . .
H6C H 0.632794 0.687683 0.375141 0.140 Uiso 1 1 calc R . . . .
C6D C 0.58968(10) 0.2898(4) 0.46304(19) 0.109(3) Uani 1 1 d . . . . .
H6D H 0.582788 0.295567 0.440017 0.131 Uiso 1 1 calc R . . . .
C6E C 0.70673(9) 0.6791(4) 0.64009(16) 0.090(3) Uani 1 1 d . . . . .
H6E H 0.705324 0.629536 0.635651 0.108 Uiso 1 1 calc R . . . .
C6F C 0.54434(9) 0.5387(4) 0.47781(15) 0.093(2) Uani 1 1 d . . . . .
H6F H 0.548589 0.579598 0.491438 0.112 Uiso 1 1 calc R . . . .
C6G C 0.60619(9) 0.4730(4) 0.66254(17) 0.097(3) Uani 1 1 d . . . . .
H6G H 0.602445 0.437719 0.646441 0.116 Uiso 1 1 calc R . . . .
C6H C 0.55501(12) 0.9628(4) 0.45425(19) 0.117(4) Uani 1 1 d . . . . .
C6I C 0.65869(10) 0.4699(4) 0.69984(19) 0.107(3) Uani 1 1 d . . . . .
H6I H 0.660360 0.519810 0.699662 0.128 Uiso 1 1 calc R . . . .
C6J C 0.68792(13) 0.3947(5) 0.5257(2) 0.146(4) Uani 1 1 d . . . . .
H6J H 0.694773 0.374607 0.547078 0.175 Uiso 1 1 calc R . . . .
C6K C 0.69942(9) 0.7245(4) 0.56474(16) 0.095(3) Uani 1 1 d . . . . .
H6K H 0.690287 0.764171 0.558133 0.114 Uiso 1 1 calc R . . . .
C6L C 0.53440(9) 0.6160(4) 0.40079(15) 0.092(3) Uani 1 1 d . . . . .
H6L H 0.541934 0.585069 0.396571 0.111 Uiso 1 1 calc R . . . .
C7A C 0.62906(10) 0.9042(5) 0.34535(14) 0.114(3) Uani 1 1 d . . . . .
C7B C 0.64936(9) 0.9736(4) 0.61919(15) 0.086(2) Uani 1 1 d . . . . .
H7B H 0.655278 1.019575 0.627059 0.103 Uiso 1 1 calc R . . . .
C7C C 0.61583(10) 0.7143(5) 0.32700(18) 0.120(3) Uani 1 1 d . . . . .
H7C H 0.627545 0.728282 0.327672 0.144 Uiso 1 1 calc R . . . .
C7D C 0.58647(10) 0.2276(4) 0.47438(19) 0.117(3) Uani 1 1 d . . . . .
H7D H 0.577492 0.190914 0.459574 0.140 Uiso 1 1 calc R . . . .
C7E C 0.72648(10) 0.7081(4) 0.66113(17) 0.101(3) Uani 1 1 d . . . . .
H7E H 0.738700 0.679273 0.670779 0.121 Uiso 1 1 calc R . . . .
C7F C 0.52331(10) 0.5223(4) 0.45554(16) 0.100(3) Uani 1 1 d . . . . .
H7F H 0.512934 0.551123 0.453958 0.120 Uiso 1 1 calc R . . . .
C7G C 0.60788(9) 0.4550(4) 0.69038(17) 0.098(3) Uani 1 1 d . . . . .
H7G H 0.605734 0.407323 0.693828 0.117 Uiso 1 1 calc R . . . .
C7H C 0.57165(11) 0.9255(5) 0.45792(18) 0.106(3) Uani 1 1 d . . . . .
C7I C 0.66010(10) 0.4407(4) 0.72590(18) 0.099(3) Uani 1 1 d . . . . .
H7I H 0.662941 0.469869 0.743452 0.119 Uiso 1 1 calc R . . . .
C7J C 0.69507(13) 0.3797(5) 0.5070(2) 0.145(4) Uani 1 1 d . . . . .
H7J H 0.706186 0.346492 0.515038 0.175 Uiso 1 1 calc R . . . .
C7K C 0.72068(9) 0.7341(4) 0.58793(18) 0.104(3) Uani 1 1 d . . . . .
H7K H 0.726347 0.779937 0.596602 0.125 Uiso 1 1 calc R . . . .
C7L C 0.51286(10) 0.6110(5) 0.38245(17) 0.107(3) Uani 1 1 d . . . . .
H7L H 0.505483 0.577625 0.364847 0.129 Uiso 1 1 calc R . . . .
C8A C 0.60977(10) 0.8837(5) 0.33806(16) 0.115(3) Uani 1 1 d . . . . .
H8A H 0.597115 0.886712 0.316024 0.138 Uiso 1 1 calc R . . . .
C8B C 0.64323(9) 0.9346(3) 0.63508(14) 0.076(2) Uani 1 1 d . . . . .
C8C C 0.59549(10) 0.7167(6) 0.29751(17) 0.122(4) Uani 1 1 d . . . . .
C8D C 0.59696(10) 0.2219(4) 0.50815(19) 0.105(3) Uani 1 1 d . . . . .
C8E C 0.72837(9) 0.7790(4) 0.66804(18) 0.099(3) Uani 1 1 d . . . . .
C8F C 0.51733(10) 0.4631(5) 0.43529(17) 0.103(3) Uani 1 1 d . . . . .
C8G C 0.61271(9) 0.5069(4) 0.71316(16) 0.092(3) Uani 1 1 d . . . . .
C8H C 0.58001(10) 0.8663(4) 0.47769(17) 0.099(3) Uani 1 1 d . . . . .
H8H H 0.590838 0.839987 0.479471 0.119 Uiso 1 1 calc R . . . .
C8I C 0.65726(9) 0.3668(4) 0.72620(17) 0.090(3) Uani 1 1 d . . . . .
C8J C 0.68595(13) 0.4133(5) 0.4768(3) 0.147(5) Uani 1 1 d . . . . .
C8K C 0.73370(9) 0.6757(4) 0.59844(17) 0.094(3) Uani 1 1 d . . . . .
C8L C 0.50172(9) 0.6530(5) 0.38894(16) 0.102(3) Uani 1 1 d . . . . .
C9A C 0.60929(9) 0.8591(5) 0.36313(14) 0.110(3) Uani 1 1 d . . . . .
H9A H 0.596166 0.847289 0.358573 0.132 Uiso 1 1 calc R . . . .
C9B C 0.64395(9) 0.9482(4) 0.66387(15) 0.082(2) Uani 1 1 d . . . . .
C9C C 0.58783(10) 0.7418(6) 0.26444(17) 0.125(4) Uani 1 1 d . . . . .
C9D C 0.59699(10) 0.1662(4) 0.52821(19) 0.104(3) Uani 1 1 d . . . . .
C9E C 0.74748(10) 0.8256(4) 0.68796(18) 0.102(3) Uani 1 1 d . . . . .
C9F C 0.49603(11) 0.4362(5) 0.40798(19) 0.118(3) Uani 1 1 d . . . . .
C9G C 0.61594(11) 0.5038(5) 0.74433(18) 0.111(3) Uani 1 1 d . . . . .
C9H C 0.54890(14) 1.0196(5) 0.4304(2) 0.131(4) Uani 1 1 d . . . . .
C9I C 0.65612(9) 0.3224(4) 0.74806(15) 0.089(3) Uani 1 1 d . . . . .
C9J C 0.68973(14) 0.4065(6) 0.4522(3) 0.165(5) Uani 1 1 d . . . . .
C9K C 0.75638(9) 0.6680(4) 0.62532(17) 0.100(3) Uani 1 1 d . . . . .
C9L C 0.47910(11) 0.6663(5) 0.37835(19) 0.102(2) Uani 0.370(3) 1 d . U P B 1
C14L C 0.47734(16) 0.7224(6) 0.3944(3) 0.101(2) Uani 0.370(3) 1 d DG U P B 1
C13L C 0.4591(2) 0.7300(7) 0.3921(4) 0.113(3) Uani 0.370(3) 1 d G U P B 1
H13L H 0.457927 0.768262 0.403010 0.135 Uiso 0.370(3) 1 calc R . P B 1
C12L C 0.44268(16) 0.6816(8) 0.3738(4) 0.116(3) Uani 0.370(3) 1 d G U P B 1
H12L H 0.430232 0.686792 0.372194 0.139 Uiso 0.370(3) 1 calc R . P B 1
C11L C 0.44444(15) 0.6256(8) 0.3578(3) 0.112(3) Uani 0.370(3) 1 d G U P B 1
H11L H 0.433192 0.592491 0.345241 0.134 Uiso 0.370(3) 1 calc R . P B 1
C10L C 0.46264(15) 0.6179(6) 0.3600(3) 0.104(3) Uani 0.370(3) 1 d G U P B 1
H10L H 0.463846 0.579659 0.349103 0.125 Uiso 0.370(3) 1 calc R . P B 1
C10A C 0.62806(9) 0.8515(5) 0.39529(13) 0.104(3) Uani 1 1 d . . . . .
C10B C 0.65254(11) 1.0035(4) 0.68668(17) 0.104(3) Uani 1 1 d . . . . .
H10B H 0.658844 1.043141 0.684204 0.124 Uiso 1 1 calc R . . . .
C10C C 0.59857(12) 0.7675(7) 0.25306(19) 0.175(5) Uani 1 1 d . . . . .
H10C H 0.613545 0.771024 0.267248 0.209 Uiso 1 1 calc R . . . .
C10D C 0.58674(11) 0.1002(4) 0.5188(2) 0.118(4) Uani 1 1 d . . . . .
H10D H 0.577728 0.086826 0.496166 0.142 Uiso 1 1 calc R . . . .
C10E C 0.76853(11) 0.8097(5) 0.7057(2) 0.122(4) Uani 1 1 d . . . . .
H10E H 0.773022 0.762395 0.706704 0.147 Uiso 1 1 calc R . . . .
C10F C 0.47639(12) 0.4651(6) 0.3940(2) 0.140(4) Uani 1 1 d . . . . .
H10F H 0.474735 0.507263 0.402480 0.168 Uiso 1 1 calc R . . . .
C10G C 0.61461(11) 0.4456(6) 0.76007(19) 0.132(4) Uani 1 1 d . . . . .
H10G H 0.610878 0.399416 0.750612 0.158 Uiso 1 1 calc R . . . .
C10H C 0.53291(16) 1.0695(5) 0.4177(2) 0.159(5) Uani 1 1 d . . . . .
H10H H 0.524471 1.071102 0.425087 0.191 Uiso 1 1 calc R . . . .
C10I C 0.65725(10) 0.3402(5) 0.77537(18) 0.113(3) Uani 1 1 d . . . . .
H10I H 0.659535 0.388173 0.782609 0.136 Uiso 1 1 calc R . . . .
C10J C 0.70524(17) 0.3694(7) 0.4531(3) 0.206(6) Uani 1 1 d . . . . .
H10J H 0.715476 0.340942 0.471590 0.247 Uiso 1 1 calc R . . . .
C10K C 0.77147(10) 0.7158(5) 0.64783(19) 0.122(3) Uani 1 1 d . . . . .
H10K H 0.767890 0.764422 0.646776 0.147 Uiso 1 1 calc R . . . .
C11A C 0.64706(9) 0.8698(5) 0.40205(14) 0.114(3) Uani 1 1 d . . . . .
H11A H 0.659875 0.863187 0.423668 0.136 Uiso 1 1 calc R . . . .
C11B C 0.65175(13) 0.9996(5) 0.71274(19) 0.127(4) Uani 1 1 d . . . . .
H11B H 0.657632 1.037122 0.728440 0.153 Uiso 1 1 calc R . . . .
C11C C 0.58673(14) 0.7878(8) 0.2203(2) 0.189(6) Uani 1 1 d . . . . .
H11C H 0.593673 0.806999 0.211901 0.227 Uiso 1 1 calc R . . . .
C11D C 0.58977(12) 0.0546(5) 0.5427(2) 0.137(4) Uani 1 1 d . . . . .
H11D H 0.582621 0.010265 0.536328 0.164 Uiso 1 1 calc R . . . .
C11E C 0.78296(12) 0.8637(6) 0.7219(2) 0.153(5) Uani 1 1 d . . . . .
H11E H 0.797619 0.853158 0.734921 0.184 Uiso 1 1 calc R . . . .
C11F C 0.45927(15) 0.4303(7) 0.3671(3) 0.178(6) Uani 1 1 d . . . . .
H11F H 0.445473 0.448901 0.356561 0.214 Uiso 1 1 calc R . . . .
C11G C 0.61912(15) 0.4604(8) 0.7905(2) 0.183(5) Uani 1 1 d . . . . .
H11G H 0.619474 0.420742 0.802360 0.220 Uiso 1 1 calc R . . . .
C11H C 0.5295(2) 1.1165(6) 0.3942(3) 0.204(7) Uani 1 1 d . . . . .
H11H H 0.518327 1.150105 0.384962 0.244 Uiso 1 1 calc R . . . .
C11I C 0.65506(11) 0.2886(6) 0.7920(2) 0.126(4) Uani 1 1 d . . . . .
H11I H 0.655796 0.300846 0.810848 0.152 Uiso 1 1 calc R . . . .
C11J C 0.70491(16) 0.3763(9) 0.4260(3) 0.224(7) Uani 1 1 d . . . . .
H11J H 0.715113 0.350168 0.426034 0.269 Uiso 1 1 calc R . . . .
C11K C 0.79181(11) 0.6929(6) 0.6719(2) 0.136(4) Uani 1 1 d . . . . .
H11K H 0.802302 0.725725 0.687456 0.163 Uiso 1 1 calc R . . . .
C12A C 0.64739(10) 0.8976(5) 0.37745(15) 0.109(3) Uani 1 1 d . . . . .
C12B C 0.64278(12) 0.9435(5) 0.71689(17) 0.117(3) Uani 1 1 d . . . . .
H12B H 0.642519 0.942427 0.735329 0.141 Uiso 1 1 calc R . . . .
C12C C 0.56522(14) 0.7809(8) 0.1996(2) 0.200(6) Uani 1 1 d . . . . .
H12C H 0.557577 0.793803 0.176934 0.240 Uiso 1 1 calc R . . . .
C12D C 0.60327(12) 0.0734(5) 0.5760(2) 0.135(4) Uani 1 1 d . . . . .
H12D H 0.605978 0.040630 0.592371 0.162 Uiso 1 1 calc R . . . .
C12E C 0.77658(12) 0.9324(5) 0.7196(2) 0.149(5) Uani 1 1 d . . . . .
H12E H 0.786839 0.969169 0.730282 0.179 Uiso 1 1 calc R . . . .
C12F C 0.46179(14) 0.3700(7) 0.3554(3) 0.187(6) Uani 1 1 d . . . . .
H12F H 0.449630 0.345961 0.337454 0.225 Uiso 1 1 calc R . . . .
C12G C 0.62299(16) 0.5228(9) 0.8048(2) 0.201(7) Uani 1 1 d . . . . .
H12G H 0.623936 0.528985 0.824231 0.241 Uiso 1 1 calc R . . . .
C12H C 0.54158(19) 1.1155(7) 0.3843(3) 0.196(7) Uani 1 1 d . . . . .
H12H H 0.539044 1.149334 0.368363 0.235 Uiso 1 1 calc R . . . .
C12I C 0.65173(10) 0.2179(5) 0.78150(18) 0.116(3) Uani 1 1 d . . . . .
H12I H 0.650443 0.182200 0.793397 0.139 Uiso 1 1 calc R . . . .
C12J C 0.69074(17) 0.4187(10) 0.3982(3) 0.271(8) Uani 1 1 d . . . . .
H12J H 0.691221 0.419572 0.379988 0.325 Uiso 1 1 calc R . . . .
C12K C 0.79683(11) 0.6232(6) 0.6733(2) 0.138(4) Uani 1 1 d . . . . .
H12K H 0.810934 0.608461 0.690084 0.166 Uiso 1 1 calc R . . . .
C13A C 0.7010(4) 0.5713(9) 0.3625(3) 0.295(10) Uani 0.388(6) 1 d D U P C 1
H13A H 0.686678 0.554465 0.352932 0.442 Uiso 0.388(6) 1 calc GR . P C 1
H13B H 0.710721 0.530813 0.371517 0.442 Uiso 0.388(6) 1 calc GR . P C 1
H13C H 0.701015 0.594535 0.345301 0.442 Uiso 0.388(6) 1 calc GR . P C 1
C13B C 0.63411(12) 0.8886(4) 0.69460(16) 0.109(3) Uani 1 1 d . . . . .
H13D H 0.627716 0.849646 0.697355 0.131 Uiso 1 1 calc R . . . .
C13C C 0.55447(13) 0.7558(7) 0.2108(2) 0.169(5) Uani 1 1 d . . . . .
H13E H 0.539497 0.752296 0.196290 0.203 Uiso 1 1 calc R . . . .
C13D C 0.61291(12) 0.1407(4) 0.5855(2) 0.127(4) Uani 1 1 d . . . . .
H13F H 0.621261 0.155522 0.607946 0.152 Uiso 1 1 calc R . . . .
C13E C 0.75529(11) 0.9490(5) 0.7018(2) 0.132(4) Uani 1 1 d . . . . .
H13G H 0.750904 0.996681 0.700298 0.159 Uiso 1 1 calc R . . . .
C13F C 0.48140(13) 0.3423(7) 0.3688(2) 0.168(5) Uani 1 1 d . . . . .
H13H H 0.482788 0.300697 0.359732 0.202 Uiso 1 1 calc R . . . .
C13G C 0.62562(14) 0.5795(8) 0.7897(2) 0.168(5) Uani 1 1 d . . . . .
H13I H 0.630651 0.623958 0.800770 0.202 Uiso 1 1 calc R . . . .
C13H C 0.55762(17) 1.0670(6) 0.3963(3) 0.175(5) Uani 1 1 d . . . . .
H13J H 0.566132 1.067546 0.388997 0.210 Uiso 1 1 calc R . . . .
C13I C 0.65032(9) 0.1998(5) 0.75391(17) 0.100(3) Uani 1 1 d . . . . .
H13K H 0.648010 0.151719 0.746778 0.120 Uiso 1 1 calc R . . . .
C13J C 0.67633(16) 0.4584(10) 0.3978(3) 0.241(8) Uani 1 1 d . . . . .
H13M H 0.666788 0.488741 0.379631 0.290 Uiso 1 1 calc R . . . .
C13K C 0.78241(10) 0.5734(6) 0.6517(2) 0.132(4) Uani 1 1 d . . . . .
H13N H 0.786207 0.524826 0.653330 0.159 Uiso 1 1 calc R . . . .
C14A C 0.70808(18) 0.6247(7) 0.3905(3) 0.215(5) Uani 0.388(6) 1 d D U P C 1
H14A H 0.714631 0.598723 0.411583 0.258 Uiso 0.388(6) 1 calc R . P C 1
H14B H 0.718848 0.657058 0.393258 0.258 Uiso 0.388(6) 1 calc R . P C 1
C14B C 0.63479(10) 0.8904(4) 0.66835(14) 0.088(2) Uani 1 1 d . . . . .
C14C C 0.56570(11) 0.7355(7) 0.24371(17) 0.141(4) Uani 1 1 d . . . . .
C14D C 0.60996(11) 0.1832(4) 0.5618(2) 0.113(4) Uani 1 1 d . . . . .
C14E C 0.74060(10) 0.8948(4) 0.6862(2) 0.111(3) Uani 1 1 d . . . . .
C14F C 0.49941(11) 0.3762(6) 0.3962(2) 0.133(4) Uani 1 1 d . . . . .
C14G C 0.62094(11) 0.5713(6) 0.75881(19) 0.125(4) Uani 1 1 d . . . . .
C14H C 0.56118(15) 1.0167(5) 0.4196(2) 0.139(4) Uani 1 1 d . . . . .
C14I C 0.65228(9) 0.2520(4) 0.73652(17) 0.090(3) Uani 1 1 d . . . . .
C14J C 0.67600(14) 0.4531(6) 0.4250(2) 0.169(5) Uani 1 1 d D . . . .
C14K C 0.76175(9) 0.5971(5) 0.62684(18) 0.107(3) Uani 1 1 d . . . . .
C15A C 0.68930(16) 0.6687(5) 0.3829(4) 0.178(4) Uani 0.388(6) 1 d D U P C 1
H15A H 0.677525 0.667032 0.358896 0.213 Uiso 0.388(6) 1 calc R . P C 1
H15B H 0.684233 0.648884 0.394991 0.213 Uiso 0.388(6) 1 calc R . P C 1
C15B C 0.62653(9) 0.8346(4) 0.64117(12) 0.077(2) Uani 1 1 d . . . . .
C15C C 0.5699(3) 0.3283(9) 0.2672(3) 0.292(10) Uani 0.688(5) 1 d D U P D 1
H15C H 0.563648 0.284191 0.268000 0.438 Uiso 0.688(5) 1 calc GR . P D 1
H15D H 0.574091 0.358485 0.286004 0.438 Uiso 0.688(5) 1 calc GR . P D 1
H15E H 0.582277 0.317059 0.268255 0.438 Uiso 0.688(5) 1 calc GR . P D 1
C15D C 0.52721(13) 0.4687(6) 0.5368(2) 0.161(5) Uani 1 1 d . . . . .
H15F H 0.522540 0.478339 0.514360 0.242 Uiso 1 1 calc GR . . . .
H15G H 0.523668 0.509196 0.544741 0.242 Uiso 1 1 calc GR . . . .
H15H H 0.520088 0.425999 0.536651 0.242 Uiso 1 1 calc GR . . . .
C15E C 0.6762(3) 0.9343(6) 0.4919(2) 0.304(9) Uani 1 1 d D U . . .
H15I H 0.686596 0.912462 0.489939 0.456 Uiso 1 1 calc GR . . . .
H15J H 0.665467 0.959008 0.471268 0.456 Uiso 1 1 calc GR . . . .
H15K H 0.669485 0.897272 0.496152 0.456 Uiso 1 1 calc GR . . . .
C15F C 0.53457(16) 0.1299(10) 0.5466(2) 0.207(8) Uani 0.652(10) 1 d D U P E 1
H15L H 0.520255 0.110181 0.533900 0.311 Uiso 0.652(10) 1 calc GR . P E 1
H15M H 0.534940 0.175849 0.555961 0.311 Uiso 0.652(10) 1 calc GR . P E 1
H15N H 0.544501 0.097166 0.564500 0.311 Uiso 0.652(10) 1 calc GR . P E 1
C15G C 0.5301(3) 0.8715(13) 0.6188(3) 0.287(10) Uani 0.534(7) 1 d D U P F 1
H15O H 0.537789 0.904316 0.614672 0.431 Uiso 0.534(7) 1 calc GR . P F 1
H15P H 0.517515 0.895265 0.613901 0.431 Uiso 0.534(7) 1 calc GR . P F 1
H15Q H 0.525740 0.829662 0.604518 0.431 Uiso 0.534(7) 1 calc GR . P F 1
C15H C 0.51362(15) 0.6728(7) 0.3057(3) 0.194(7) Uani 1 1 d . . . . .
H15R H 0.505708 0.664432 0.314408 0.291 Uiso 1 1 calc GR . . . .
H15S H 0.515567 0.627731 0.298176 0.291 Uiso 1 1 calc GR . . . .
H15T H 0.505745 0.705900 0.286954 0.291 Uiso 1 1 calc GR . . . .
C15I C 0.5845(2) 0.0293(6) 0.6606(3) 0.210(8) Uani 0.650(7) 1 d D . P G 1
H15U H 0.569170 0.030366 0.648692 0.316 Uiso 0.650(7) 1 calc GR . P G 1
H15V H 0.591402 0.011737 0.683169 0.316 Uiso 0.650(7) 1 calc GR . P G 1
H15W H 0.587872 -0.002192 0.649059 0.316 Uiso 0.650(7) 1 calc GR . P G 1
C15J C 0.7268(2) 0.8037(10) 0.5220(4) 0.250(9) Uani 0.633(6) 1 d D . P H 1
H15X H 0.735556 0.799594 0.514434 0.375 Uiso 0.633(6) 1 calc GR . P H 1
H15Y H 0.732069 0.770848 0.540431 0.375 Uiso 0.633(6) 1 calc GR . P H 1
H H 0.727529 0.852454 0.529341 0.375 Uiso 0.633(6) 1 calc GR . P H 1
C15K C 0.70930(18) 0.3937(8) 0.6972(3) 0.236(8) Uani 1 1 d . . . . .
H15Z H 0.722652 0.410160 0.717536 0.353 Uiso 1 1 calc GR . . . .
HA H 0.705375 0.348091 0.701416 0.353 Uiso 1 1 calc GR . . . .
HB H 0.698197 0.428717 0.690146 0.353 Uiso 1 1 calc GR . . . .
C15L C 0.47940(7) 0.6475(3) 0.37219(12) 0.102(2) Uani 0.630(3) 1 d . . P B 2
C20L C 0.47605(10) 0.6951(4) 0.38946(16) 0.101(2) Uani 0.630(3) 1 d DG . P B 2
C19L C 0.45573(12) 0.7065(5) 0.3796(2) 0.113(3) Uani 0.630(3) 1 d G . P B 2
H19L H 0.453434 0.739110 0.391398 0.135 Uiso 0.630(3) 1 calc R . P B 2
C18L C 0.43876(9) 0.6702(5) 0.3525(2) 0.116(3) Uani 0.630(3) 1 d G . P B 2
H18L H 0.424865 0.678014 0.345716 0.139 Uiso 0.630(3) 1 calc R . P B 2
C17L C 0.44211(8) 0.6226(5) 0.33519(18) 0.112(3) Uani 0.630(3) 1 d G . P B 2
H17L H 0.430510 0.597752 0.316640 0.134 Uiso 0.630(3) 1 calc R . P B 2
C16L C 0.46243(9) 0.6112(4) 0.34505(14) 0.104(3) Uani 0.630(3) 1 d G . P B 2
H16L H 0.464724 0.578587 0.333244 0.125 Uiso 0.630(3) 1 calc R . P B 2
C16A C 0.69656(18) 0.7455(5) 0.3937(5) 0.155(3) Uani 0.388(6) 1 d D U P C 1
H16A H 0.704743 0.760987 0.385922 0.186 Uiso 0.388(6) 1 calc R . P C 1
H16B H 0.705945 0.748194 0.418192 0.186 Uiso 0.388(6) 1 calc R . P C 1
C16B C 0.72419(12) 0.5927(7) 0.7273(3) 0.215(7) Uani 1 1 d D U . . .
H16C H 0.730396 0.608759 0.749821 0.323 Uiso 1 1 calc GR . . . .
H16D H 0.729308 0.622777 0.717756 0.323 Uiso 1 1 calc GR . . . .
H16E H 0.728311 0.543301 0.727914 0.323 Uiso 1 1 calc GR . . . .
C16C C 0.5535(2) 0.3676(5) 0.2347(3) 0.242(5) Uani 0.688(5) 1 d D U P D 1
H16F H 0.551899 0.344767 0.215775 0.290 Uiso 0.688(5) 1 calc R . P D 1
H16G H 0.539568 0.369008 0.230312 0.290 Uiso 0.688(5) 1 calc R . P D 1
C16D C 0.55089(13) 0.4570(6) 0.5596(2) 0.146(4) Uani 1 1 d . . . . .
H16H H 0.557982 0.500321 0.559716 0.176 Uiso 1 1 calc R . . . .
H16I H 0.555589 0.449398 0.582470 0.176 Uiso 1 1 calc R . . . .
C16E C 0.6872(2) 0.9864(5) 0.5201(2) 0.269(5) Uani 1 1 d D U . . .
H16J H 0.676668 1.015828 0.519542 0.323 Uiso 1 1 calc R . . . .
H16K H 0.696427 1.018217 0.518479 0.323 Uiso 1 1 calc R . . . .
C16F C 0.54084(16) 0.1400(6) 0.5236(2) 0.198(5) Uani 0.652(10) 1 d D U P E 1
H16M H 0.556306 0.146457 0.536707 0.238 Uiso 0.652(10) 1 calc R . P E 1
H16N H 0.536584 0.098212 0.508996 0.238 Uiso 0.652(10) 1 calc R . P E 1
C16G C 0.54442(16) 0.8482(11) 0.6552(3) 0.275(5) Uani 0.534(7) 1 d D U P F 1
H16O H 0.537939 0.806972 0.658077 0.330 Uiso 0.534(7) 1 calc R . P F 1
H16P H 0.545471 0.887429 0.669153 0.330 Uiso 0.534(7) 1 calc R . P F 1
C16H C 0.53466(13) 0.7038(6) 0.3321(2) 0.151(4) Uani 1 1 d . . . . .
H16Q H 0.541894 0.716691 0.322414 0.182 Uiso 1 1 calc R . . . .
H16R H 0.543313 0.667132 0.349234 0.182 Uiso 1 1 calc R . . . .
C16I C 0.59227(15) 0.1030(6) 0.66205(19) 0.156(4) Uani 0.650(7) 1 d D . P G 1
H16S H 0.605815 0.110729 0.684253 0.188 Uiso 0.650(7) 1 calc R . P G 1
H16T H 0.581946 0.137768 0.659174 0.188 Uiso 0.650(7) 1 calc R . P G 1
C16J C 0.70366(19) 0.7850(6) 0.4931(4) 0.222(5) Uani 0.633(6) 1 d D . P H 1
H16U H 0.694688 0.787822 0.500544 0.266 Uiso 0.633(6) 1 calc R . P H 1
H16V H 0.698033 0.818401 0.474474 0.266 Uiso 0.633(6) 1 calc R . P H 1
C16K C 0.71165(18) 0.3853(7) 0.6726(3) 0.219(7) Uani 1 1 d . . . . .
H16W H 0.697759 0.372041 0.651898 0.263 Uiso 1 1 calc R . . . .
H16X H 0.721392 0.344990 0.678760 0.263 Uiso 1 1 calc R . . . .
C17A C 0.67757(17) 0.7957(5) 0.3796(4) 0.134(3) Uani 0.388(6) 1 d D U P C 1
H17A H 0.668643 0.795954 0.355122 0.161 Uiso 0.388(6) 1 calc R . P C 1
H17B H 0.668854 0.779028 0.386268 0.161 Uiso 0.388(6) 1 calc R . P C 1
C17B C 0.69995(11) 0.5978(4) 0.7058(3) 0.168(4) Uani 1 1 d D U . . .
H17C H 0.693761 0.581291 0.683145 0.202 Uiso 1 1 calc R . . . .
H17D H 0.694821 0.565966 0.715102 0.202 Uiso 1 1 calc R . . . .
C17C C 0.56281(16) 0.4422(5) 0.2409(4) 0.219(4) Uani 0.688(5) 1 d D U P D 1
H17E H 0.575651 0.445142 0.264198 0.263 Uiso 0.688(5) 1 calc R . P D 1
H17F H 0.567215 0.449319 0.226601 0.263 Uiso 0.688(5) 1 calc R . P D 1
C17D C 0.55745(12) 0.3953(5) 0.5496(2) 0.128(4) Uani 1 1 d . . . . .
H17G H 0.552334 0.402906 0.526549 0.153 Uiso 1 1 calc R . . . .
H17H H 0.550309 0.352338 0.549700 0.153 Uiso 1 1 calc R . . . .
C17E C 0.70018(17) 0.9434(6) 0.55180(18) 0.233(4) Uani 1 1 d D U . . .
H17I H 0.714919 0.940370 0.559389 0.279 Uiso 1 1 calc R . . . .
H17J H 0.694449 0.894576 0.547288 0.279 Uiso 1 1 calc R . . . .
C17F C 0.52912(16) 0.2067(6) 0.50315(19) 0.194(4) Uani 0.652(10) 1 d D . P E 1
H17K H 0.513858 0.202732 0.492662 0.232 Uiso 0.652(10) 1 calc R . P E 1
H17M H 0.534756 0.249294 0.517546 0.232 Uiso 0.652(10) 1 calc R . P E 1
C17G C 0.56709(15) 0.8276(7) 0.6674(3) 0.259(4) Uani 0.534(7) 1 d D U P F 1
H17N H 0.565993 0.803054 0.649146 0.310 Uiso 0.534(7) 1 calc R . P F 1
H17O H 0.575395 0.871524 0.672555 0.310 Uiso 0.534(7) 1 calc R . P F 1
C17H C 0.53367(12) 0.7681(5) 0.34845(19) 0.130(4) Uani 1 1 d . . . . .
H17P H 0.528040 0.754291 0.360528 0.156 Uiso 1 1 calc R . . . .
H17Q H 0.523770 0.802945 0.331205 0.156 Uiso 1 1 calc R . . . .
C17I C 0.59556(15) 0.1172(5) 0.63597(19) 0.150(4) Uani 0.650(7) 1 d D . P G 1
H17R H 0.584184 0.094789 0.614670 0.180 Uiso 0.650(7) 1 calc R . P G 1
H17S H 0.609317 0.097837 0.643179 0.180 Uiso 0.650(7) 1 calc R . P G 1
C17J C 0.70386(16) 0.7089(5) 0.4825(4) 0.205(4) Uani 0.633(6) 1 d D . P H 1
H17T H 0.713300 0.678611 0.502187 0.246 Uiso 0.633(6) 1 calc R . P H 1
H17U H 0.709092 0.708795 0.469083 0.246 Uiso 0.633(6) 1 calc R . P H 1
C17K C 0.72016(15) 0.4512(6) 0.6653(3) 0.194(6) Uani 1 1 d . . . . .
H17V H 0.709512 0.489515 0.656523 0.232 Uiso 1 1 calc R . . . .
H17W H 0.733104 0.468086 0.686614 0.232 Uiso 1 1 calc R . . . .
C18A C 0.68568(16) 0.8703(5) 0.3928(4) 0.126(2) Uani 0.388(6) 1 d D U P C 1
H18A H 0.693792 0.887522 0.385176 0.151 Uiso 0.388(6) 1 calc R . P C 1
H18B H 0.695324 0.869098 0.417347 0.151 Uiso 0.388(6) 1 calc R . P C 1
C18B C 0.69242(12) 0.6732(4) 0.7042(2) 0.142(3) Uani 1 1 d D U . . .
H18C H 0.698784 0.689562 0.726987 0.171 Uiso 1 1 calc R . . . .
H18D H 0.697602 0.704729 0.694954 0.171 Uiso 1 1 calc R . . . .
C18C C 0.54818(15) 0.5019(5) 0.2346(4) 0.192(4) Uani 0.688(5) 1 d D U P D 1
H18E H 0.541932 0.492420 0.246187 0.231 Uiso 0.688(5) 1 calc R . P D 1
H18F H 0.536564 0.505935 0.210607 0.231 Uiso 0.688(5) 1 calc R . P D 1
C18D C 0.58102(12) 0.3807(5) 0.57096(18) 0.121(4) Uani 1 1 d . . . . .
H18G H 0.585869 0.367567 0.593441 0.145 Uiso 1 1 calc R . . . .
H18H H 0.588346 0.425207 0.572955 0.145 Uiso 1 1 calc R . . . .
C18E C 0.70012(16) 0.9762(6) 0.5794(2) 0.194(4) Uani 1 1 d D U . . .
H18I H 0.685305 0.983862 0.570854 0.232 Uiso 1 1 calc R . . . .
H18J H 0.707120 1.023177 0.585293 0.232 Uiso 1 1 calc R . . . .
C18F C 0.53241(11) 0.2128(6) 0.47713(15) 0.191(4) Uani 1 1 d D U . . .
H18K H 0.526152 0.170958 0.462342 0.229 Uiso 0.652(10) 1 calc R . P E 1
H18M H 0.547747 0.213208 0.487888 0.229 Uiso 0.652(10) 1 calc R . P E 1
H18N H 0.532028 0.174795 0.463326 0.229 Uiso 0.348(10) 1 calc R . P E 2
H18O H 0.547354 0.222013 0.495993 0.229 Uiso 0.348(10) 1 calc R . P E 2
C18G C 0.57890(17) 0.7797(6) 0.6978(3) 0.220(4) Uani 0.534(7) 1 d D U P F 1
H18P H 0.568584 0.751630 0.698248 0.264 Uiso 0.534(7) 1 calc R . P F 1
H18Q H 0.587055 0.809477 0.717978 0.264 Uiso 0.534(7) 1 calc R . P F 1
C18H C 0.55503(12) 0.8031(5) 0.37242(18) 0.130(3) Uani 1 1 d . . . . .
H18R H 0.560361 0.818948 0.360140 0.156 Uiso 1 1 calc R . . . .
H18S H 0.565107 0.767667 0.389053 0.156 Uiso 1 1 calc R . . . .
C18I C 0.59508(15) 0.1982(5) 0.6322(2) 0.124(3) Uani 0.650(7) 1 d D . P G 1
H18T H 0.581561 0.216309 0.626472 0.149 Uiso 0.650(7) 1 calc R . P G 1
H18U H 0.595387 0.209411 0.613456 0.149 Uiso 0.650(7) 1 calc R . P G 1
C18J C 0.68097(16) 0.6802(5) 0.4617(4) 0.197(4) Uani 0.633(6) 1 d D . P H 1
H18V H 0.672351 0.701561 0.439325 0.236 Uiso 0.633(6) 1 calc R . P H 1
H18W H 0.674358 0.691814 0.472573 0.236 Uiso 0.633(6) 1 calc R . P H 1
C18K C 0.72492(14) 0.4412(6) 0.6433(3) 0.181(6) Uani 1 1 d . . . . .
H18X H 0.712016 0.423446 0.622135 0.217 Uiso 1 1 calc R . . . .
H18Y H 0.735687 0.403181 0.652264 0.217 Uiso 1 1 calc R . . . .
C19A C 0.66725(17) 0.9221(6) 0.3810(3) 0.131(2) Uani 0.388(6) 1 d D U P C 1
C19B C 0.66879(11) 0.6804(4) 0.6836(2) 0.116(3) Uani 1 1 d D U . . .
H19A H 0.664011 0.655986 0.695264 0.139 Uiso 1 1 calc R . . . .
H19B H 0.662377 0.655214 0.662372 0.139 Uiso 1 1 calc R . . . .
C19C C 0.56108(14) 0.5717(5) 0.2476(3) 0.168(3) Uani 0.688(5) 1 d D U P D 1
H19C H 0.574063 0.564859 0.270550 0.202 Uiso 0.688(5) 1 calc R . P D 1
H19D H 0.565287 0.585361 0.233554 0.202 Uiso 0.688(5) 1 calc R . P D 1
C19D C 0.58772(11) 0.3222(4) 0.55820(17) 0.105(3) Uani 1 1 d . . . . .
H19E H 0.581241 0.276769 0.557598 0.127 Uiso 1 1 calc R . . . .
H19F H 0.582297 0.333731 0.535275 0.127 Uiso 1 1 calc R . . . .
C19E C 0.71147(14) 0.9295(5) 0.6111(2) 0.148(3) Uani 1 1 d . U . . .
H19G H 0.707241 0.879489 0.604175 0.178 Uiso 1 1 calc R . . . .
H19H H 0.726880 0.932552 0.622580 0.178 Uiso 1 1 calc R . . . .
C19F C 0.52232(15) 0.2807(6) 0.4565(2) 0.183(4) Uani 1 1 d D U . . .
H19I H 0.506770 0.278670 0.443734 0.220 Uiso 1 1 calc R . . . .
H19J H 0.527635 0.322754 0.471167 0.220 Uiso 1 1 calc R . . . .
C19G C 0.59419(16) 0.7285(6) 0.6978(3) 0.196(4) Uani 0.534(7) 1 d D U P F 1
H19K H 0.586590 0.703442 0.676272 0.235 Uiso 0.534(7) 1 calc R . P F 1
H19M H 0.605982 0.755691 0.701084 0.235 Uiso 0.534(7) 1 calc R . P F 1
C19H C 0.55424(11) 0.8669(5) 0.39032(17) 0.116(3) Uani 1 1 d . . . . .
H19N H 0.543702 0.901425 0.373649 0.140 Uiso 1 1 calc R . . . .
H19O H 0.549501 0.850707 0.403367 0.140 Uiso 1 1 calc R . . . .
C19I C 0.61377(11) 0.2388(6) 0.6638(2) 0.110(3) Uani 0.650(7) 1 d D . P G 1
H19P H 0.613862 0.288883 0.657941 0.132 Uiso 0.650(7) 1 calc R . P G 1
H19Q H 0.611487 0.238565 0.680913 0.132 Uiso 0.650(7) 1 calc R . P G 1
C19J C 0.68246(19) 0.5987(5) 0.4595(3) 0.180(4) Uani 0.633(6) 1 d D . P H 1
H19R H 0.694687 0.587318 0.459762 0.216 Uiso 0.633(6) 1 calc R . P H 1
H19S H 0.684793 0.575948 0.479061 0.216 Uiso 0.633(6) 1 calc R . P H 1
C19K C 0.73306(12) 0.5058(5) 0.6353(2) 0.147(4) Uani 1 1 d . . . . .
H19T H 0.722239 0.543703 0.625496 0.176 Uiso 1 1 calc R . . . .
H19U H 0.745960 0.524303 0.656202 0.176 Uiso 1 1 calc R . . . .
C20A C 0.6765(3) 0.9792(5) 0.4083(3) 0.157(3) Uani 0.388(6) 1 d D U P C 1
H20A H 0.673449 0.965854 0.423784 0.188 Uiso 0.388(6) 1 calc R . P C 1
H20B H 0.692065 0.980208 0.420895 0.188 Uiso 0.388(6) 1 calc R . P C 1
C20B C 0.66044(10) 0.7553(4) 0.67608(17) 0.095(2) Uani 1 1 d . U . . .
H20C H 0.665376 0.780112 0.664751 0.114 Uiso 1 1 calc R . . . .
H20D H 0.666512 0.780254 0.697240 0.114 Uiso 1 1 calc R . . . .
C20C C 0.54755(13) 0.6296(4) 0.2469(2) 0.149(3) Uani 0.688(5) 1 d D U P D 1
H20E H 0.542612 0.613071 0.259610 0.179 Uiso 0.688(5) 1 calc R . P D 1
H20F H 0.534903 0.636384 0.223638 0.179 Uiso 0.688(5) 1 calc R . P D 1
C20D C 0.61129(11) 0.3132(5) 0.57927(17) 0.112(3) Uani 1 1 d . . . . .
H20G H 0.616381 0.296868 0.601507 0.134 Uiso 1 1 calc R . . . .
H20H H 0.617746 0.360211 0.581977 0.134 Uiso 1 1 calc R . . . .
C20E C 0.70747(12) 0.9473(4) 0.6356(2) 0.129(3) Uani 1 1 d . U . . .
H20I H 0.691974 0.949347 0.623438 0.155 Uiso 1 1 calc R . . . .
H20J H 0.712992 0.995801 0.644029 0.155 Uiso 1 1 calc R . . . .
C20F C 0.52794(14) 0.2856(6) 0.4339(2) 0.173(4) Uani 1 1 d . U . . .
H20K H 0.520993 0.246021 0.417802 0.208 Uiso 1 1 calc R . . . .
H20L H 0.543397 0.278795 0.446905 0.208 Uiso 1 1 calc R . . . .
C20G C 0.60266(13) 0.6756(4) 0.72549(19) 0.165(3) Uani 1 1 d D U . . .
H20M H 0.590606 0.645384 0.719427 0.198 Uiso 0.534(7) 1 calc R . P F 1
H20N H 0.606972 0.702917 0.745336 0.198 Uiso 0.534(7) 1 calc R . P F 1
H20O H 0.589252 0.652050 0.707739 0.198 Uiso 0.466(7) 1 calc R . P F 2
H20P H 0.602371 0.682894 0.744499 0.198 Uiso 0.466(7) 1 calc R . P F 2
C20H C 0.57542(11) 0.9040(5) 0.41324(19) 0.132(4) Uani 1 1 d . . . . .
H20Q H 0.578333 0.929270 0.399331 0.158 Uiso 1 1 calc R . . . .
H20R H 0.586402 0.866899 0.425666 0.158 Uiso 1 1 calc R . . . .
C20I C 0.63448(8) 0.2059(5) 0.67753(18) 0.126(3) Uani 1 1 d D U . . .
H20S H 0.636428 0.204338 0.660057 0.151 Uiso 0.650(7) 1 calc R . P G 1
H20T H 0.634498 0.156334 0.684085 0.151 Uiso 0.650(7) 1 calc R . P G 1
H20U H 0.636872 0.154085 0.681449 0.151 Uiso 0.350(7) 1 calc R . P G 2
H20V H 0.633585 0.217563 0.657714 0.151 Uiso 0.350(7) 1 calc R . P G 2
C20J C 0.66241(17) 0.5694(4) 0.4281(3) 0.170(4) Uani 0.633(6) 1 d D . P H 1
H20W H 0.662372 0.580258 0.409043 0.204 Uiso 0.633(6) 1 calc R . P H 1
H20X H 0.650002 0.593020 0.424351 0.204 Uiso 0.633(6) 1 calc R . P H 1
C20K C 0.73782(12) 0.4893(5) 0.6129(2) 0.155(5) Uani 1 1 d . . . . .
H20Y H 0.725543 0.464122 0.593608 0.187 Uiso 1 1 calc R . . . .
HC H 0.749929 0.456026 0.624181 0.187 Uiso 1 1 calc R . . . .
C21A C 0.6679(3) 1.0524(5) 0.3950(4) 0.204(4) Uani 0.388(6) 1 d D U P C 1
H21A H 0.653226 1.055160 0.387677 0.244 Uiso 0.388(6) 1 calc R . P C 1
H21B H 0.667559 1.061139 0.375443 0.244 Uiso 0.388(6) 1 calc R . P C 1
C21B C 0.63652(9) 0.7606(4) 0.65466(14) 0.086(2) Uani 1 1 d . . . . .
H21C H 0.631959 0.742528 0.667716 0.103 Uiso 1 1 calc R . . . .
H21D H 0.630565 0.728288 0.635525 0.103 Uiso 1 1 calc R . . . .
C21C C 0.55853(11) 0.7021(5) 0.2608(2) 0.137(2) Uani 0.688(5) 1 d D U P D 1
C21D C 0.64348(12) 0.2575(6) 0.5884(2) 0.145(3) Uani 1 1 d . U . . .
H21E H 0.648917 0.306182 0.590596 0.174 Uiso 1 1 calc R . . . .
H21F H 0.648378 0.242375 0.610703 0.174 Uiso 1 1 calc R . . . .
C21E C 0.71646(10) 0.8994(4) 0.66517(19) 0.104(3) Uani 1 1 d . . . . .
C21F C 0.52192(11) 0.3561(6) 0.4143(2) 0.138(4) Uani 1 1 d . . . . .
C21G C 0.62135(9) 0.6243(5) 0.73655(19) 0.134(3) Uani 1 1 d D U . . .
C21H C 0.57810(9) 0.9570(5) 0.4383(2) 0.148(3) Uani 1 1 d D U . . .
C21I C 0.65286(10) 0.2456(4) 0.70725(17) 0.107(3) Uani 1 1 d D . . . .
C21J C 0.66057(15) 0.4885(5) 0.4303(3) 0.167(3) Uani 0.633(6) 1 d D . P H 1
C21K C 0.74312(10) 0.5521(6) 0.6003(2) 0.129(3) Uani 1 1 d . U . . .
C21L C 0.4912(4) 1.0347(6) 0.3107(6) 0.237(7) Uani 0.370(3) 1 d D . P B 1
H21G H 0.494316 1.043850 0.295079 0.355 Uiso 0.370(3) 1 calc GR . P B 1
H21H H 0.499619 1.066783 0.329719 0.355 Uiso 0.370(3) 1 calc GR . P B 1
H21I H 0.476145 1.042964 0.299686 0.355 Uiso 0.370(3) 1 calc GR . P B 1
C22A C 0.68155(17) 1.1108(6) 0.4215(3) 0.262(4) Uani 0.388(6) 1 d D U P C 1
H22A H 0.686883 1.145390 0.413518 0.314 Uiso 0.388(6) 1 calc R . P C 1
H22B H 0.693725 1.089420 0.442432 0.314 Uiso 0.388(6) 1 calc R . P C 1
C22B C 0.60210(9) 0.8282(4) 0.61972(15) 0.090(2) Uani 1 1 d . U . . .
H22C H 0.597423 0.790682 0.602936 0.108 Uiso 1 1 calc R . . . .
H22D H 0.598358 0.812491 0.634154 0.108 Uiso 1 1 calc R . . . .
C22C C 0.54207(12) 0.7509(5) 0.2585(2) 0.143(3) Uani 0.688(5) 1 d D U P D 1
H22E H 0.529985 0.757267 0.234836 0.172 Uiso 0.688(5) 1 calc R . P D 1
H22F H 0.536705 0.726921 0.269373 0.172 Uiso 0.688(5) 1 calc R . P D 1
C22D C 0.65323(9) 0.2099(6) 0.5779(2) 0.178(4) Uani 1 1 d D U . . .
H22G H 0.650266 0.225833 0.556856 0.214 Uiso 0.565(8) 1 calc R . P A 1
H22H H 0.648585 0.160072 0.575648 0.214 Uiso 0.565(8) 1 calc R . P A 1
H22I H 0.643416 0.214180 0.553449 0.214 Uiso 0.435(8) 1 calc R . P A 2
H22J H 0.650467 0.162211 0.582667 0.214 Uiso 0.435(8) 1 calc R . P A 2
C22E C 0.70917(12) 0.9226(5) 0.6857(2) 0.131(3) Uani 1 1 d . U . . .
H22K H 0.713250 0.972962 0.691901 0.157 Uiso 1 1 calc R . . . .
H22L H 0.693536 0.920701 0.671072 0.157 Uiso 1 1 calc R . . . .
C22F C 0.52928(14) 0.3523(6) 0.3929(2) 0.195(4) Uani 1 1 d D U . . .
H22M H 0.544638 0.342391 0.407519 0.234 Uiso 1 1 calc R . . . .
H22N H 0.522184 0.311453 0.377691 0.234 Uiso 1 1 calc R . . . .
C22G C 0.64335(13) 0.6583(6) 0.7577(4) 0.133(3) Uani 0.550(6) 1 d D . P I 1
H22O H 0.644511 0.690587 0.743497 0.160 Uiso 0.550(6) 1 calc R . P I 1
H22P H 0.644722 0.687573 0.775105 0.160 Uiso 0.550(6) 1 calc R . P I 1
C22H C 0.59977(13) 0.9894(8) 0.4652(3) 0.156(3) Uani 0.409(6) 1 d D U P J 1
H22Q H 0.598698 1.018805 0.480293 0.188 Uiso 0.409(6) 1 calc R . P J 1
H22R H 0.610049 0.950854 0.478431 0.188 Uiso 0.409(6) 1 calc R . P J 1
C22I C 0.67436(11) 0.2069(5) 0.7203(2) 0.159(3) Uani 1 1 d D U . . .
H22S H 0.685948 0.233736 0.739843 0.191 Uiso 1 1 calc R . . . .
H22T H 0.674052 0.159315 0.728330 0.191 Uiso 1 1 calc R . . . .
C22J C 0.63729(15) 0.4646(5) 0.4055(4) 0.182(3) Uani 0.633(6) 1 d D . P H 1
H22U H 0.628588 0.490591 0.410245 0.218 Uiso 0.633(6) 1 calc R . P H 1
H22V H 0.632077 0.477060 0.382784 0.218 Uiso 0.633(6) 1 calc R . P H 1
C22K C 0.74578(12) 0.5222(6) 0.57574(19) 0.159(3) Uani 1 1 d D U . . .
H22W H 0.757352 0.486862 0.587536 0.191 Uiso 1 1 calc R . . . .
H22X H 0.732691 0.495828 0.558957 0.191 Uiso 1 1 calc R . . . .
C22L C 0.49673(16) 0.9575(6) 0.3226(3) 0.207(4) Uani 0.370(3) 1 d D . P B 1
H22Y H 0.500318 0.931769 0.309663 0.249 Uiso 0.370(3) 1 calc R . P B 1
HD H 0.509308 0.956657 0.346185 0.249 Uiso 0.370(3) 1 calc R . P B 1
C23A C 0.6746(4) 1.2173(7) 0.4459(3) 0.313(5) Uani 0.388(6) 1 d D U P C 1
H23A H 0.662835 1.245139 0.442266 0.375 Uiso 0.388(6) 1 calc R . P C 1
H23B H 0.681039 1.245640 0.437665 0.375 Uiso 0.388(6) 1 calc R . P C 1
C23B C 0.58995(9) 0.8950(4) 0.60216(16) 0.101(2) Uani 1 1 d D U . . .
H23C H 0.594520 0.933063 0.618669 0.121 Uiso 1 1 calc R . . . .
H23D H 0.593217 0.910497 0.587101 0.121 Uiso 1 1 calc R . . . .
C23C C 0.55048(13) 0.8239(5) 0.2742(2) 0.160(3) Uani 0.688(5) 1 d D U P D 1
H23E H 0.555243 0.849029 0.262650 0.192 Uiso 0.688(5) 1 calc R . P D 1
H23F H 0.562890 0.817825 0.297616 0.192 Uiso 0.688(5) 1 calc R . P D 1
C23D C 0.67692(13) 0.2199(8) 0.6079(3) 0.210(4) Uani 0.565(8) 1 d D U P A 1
H23G H 0.681518 0.269224 0.608580 0.252 Uiso 0.565(8) 1 calc R . P A 1
H23H H 0.679154 0.209860 0.628911 0.252 Uiso 0.565(8) 1 calc R . P A 1
C23E C 0.71701(12) 0.8824(5) 0.7164(2) 0.138(3) Uani 1 1 d . U . . .
H23I H 0.713019 0.831875 0.710615 0.166 Uiso 1 1 calc R . . . .
H23J H 0.732635 0.884930 0.731589 0.166 Uiso 1 1 calc R . . . .
C23F C 0.52556(10) 0.4150(6) 0.37324(14) 0.195(3) Uani 1 1 d D U . . .
H23K H 0.530219 0.457192 0.387765 0.234 Uiso 0.643(9) 1 calc R . P K 1
H23L H 0.510133 0.419625 0.355816 0.234 Uiso 0.643(9) 1 calc R . P K 1
H23M H 0.534613 0.454226 0.388302 0.234 Uiso 0.357(9) 1 calc R . P K 2
H23N H 0.510655 0.429965 0.361135 0.234 Uiso 0.357(9) 1 calc R . P K 2
C23G C 0.66170(12) 0.6057(6) 0.7743(4) 0.138(3) Uani 0.550(6) 1 d D . P I 1
H23O H 0.660918 0.578522 0.756891 0.166 Uiso 0.550(6) 1 calc R . P I 1
H23P H 0.660132 0.571584 0.787479 0.166 Uiso 0.550(6) 1 calc R . P I 1
C23H C 0.60765(13) 1.0350(8) 0.4500(3) 0.179(4) Uani 0.409(6) 1 d D U P J 1
H23Q H 0.598718 1.078051 0.440105 0.215 Uiso 0.409(6) 1 calc R . P J 1
H23R H 0.606367 1.008108 0.432176 0.215 Uiso 0.409(6) 1 calc R . P J 1
C23I C 0.68016(10) 0.1969(5) 0.6983(3) 0.193(3) Uani 1 1 d D U . . .
H23S H 0.678305 0.241600 0.686562 0.231 Uiso 0.398(10) 1 calc R . P L 1
H23T H 0.671374 0.159455 0.681781 0.231 Uiso 0.398(10) 1 calc R . P L 1
H23U H 0.682728 0.243901 0.692634 0.231 Uiso 0.602(10) 1 calc R . P L 2
H23V H 0.668236 0.174320 0.677561 0.231 Uiso 0.602(10) 1 calc R . P L 2
C23J C 0.63451(16) 0.3840(5) 0.4072(4) 0.205(4) Uani 0.633(6) 1 d D . P H 1
H23W H 0.638288 0.371352 0.429154 0.247 Uiso 0.633(6) 1 calc R . P H 1
H23X H 0.643829 0.357174 0.404026 0.247 Uiso 0.633(6) 1 calc R . P H 1
C23K C 0.75016(11) 0.5688(6) 0.55837(15) 0.175(3) Uani 1 1 d D U . . .
H23Y H 0.760728 0.603555 0.574820 0.210 Uiso 0.395(9) 1 calc R . P M 1
HE H 0.737018 0.595883 0.542498 0.210 Uiso 0.395(9) 1 calc R . P M 1
HF H 0.764582 0.588670 0.573785 0.210 Uiso 0.605(9) 1 calc R . P M 2
HG H 0.739952 0.608690 0.548531 0.210 Uiso 0.605(9) 1 calc R . P M 2
C23L C 0.47848(14) 0.9196(9) 0.31900(16) 0.179(3) Uani 0.370(3) 1 d D . P B 1
H23Z H 0.477705 0.869665 0.312230 0.215 Uiso 0.370(3) 1 calc R . P B 1
HH H 0.464969 0.943254 0.301728 0.215 Uiso 0.370(3) 1 calc R . P B 1
C24A C 0.6914(7) 1.2031(18) 0.4834(3) 0.347(11) Uani 0.388(6) 1 d D U P C 1
H24A H 0.690175 1.239103 0.496113 0.521 Uiso 0.388(6) 1 calc GR . P C 1
H24B H 0.705566 1.205342 0.489126 0.521 Uiso 0.388(6) 1 calc GR . P C 1
H24C H 0.689117 1.155869 0.488842 0.521 Uiso 0.388(6) 1 calc GR . P C 1
C24B C 0.56654(8) 0.8843(4) 0.58253(15) 0.114(2) Uani 1 1 d D U . . .
H24D H 0.562045 0.847837 0.565370 0.137 Uiso 0.612(8) 1 calc R . P N 1
H24E H 0.563578 0.865344 0.597511 0.137 Uiso 0.612(8) 1 calc R . P N 1
H24F H 0.559323 0.920001 0.564545 0.137 Uiso 0.388(8) 1 calc R . P N 2
H24G H 0.562974 0.836840 0.571993 0.137 Uiso 0.388(8) 1 calc R . P N 2
C24C C 0.53383(13) 0.8698(5) 0.2726(2) 0.172(3) Uani 0.688(5) 1 d D U P D 1
H24H H 0.526988 0.841485 0.280068 0.206 Uiso 0.688(5) 1 calc R . P D 1
H24I H 0.522787 0.884546 0.249376 0.206 Uiso 0.688(5) 1 calc R . P D 1
C24D C 0.68943(13) 0.1667(7) 0.6026(2) 0.242(4) Uani 0.565(8) 1 d D U P A 1
H24J H 0.682492 0.119615 0.596291 0.291 Uiso 0.565(8) 1 calc R . P A 1
H24K H 0.703999 0.161423 0.623281 0.291 Uiso 0.565(8) 1 calc R . P A 1
C24E C 0.70892(12) 0.9082(6) 0.73416(18) 0.155(3) Uani 1 1 d D U . . .
H24L H 0.693295 0.908277 0.718313 0.186 Uiso 1 1 calc R . . . .
H24M H 0.713466 0.958188 0.740527 0.186 Uiso 1 1 calc DR . . . .
C24F C 0.53641(13) 0.4174(7) 0.35631(18) 0.207(3) Uani 0.643(9) 1 d D . P K 1
H24N H 0.535321 0.370193 0.346769 0.248 Uiso 0.643(9) 1 calc R . P K 1
H24O H 0.551575 0.428746 0.372953 0.248 Uiso 0.643(9) 1 calc R . P K 1
C24G C 0.68357(14) 0.6411(7) 0.7970(4) 0.161(3) Uani 0.550(6) 1 d D . P I 1
H24P H 0.685849 0.671107 0.783444 0.193 Uiso 0.550(6) 1 calc R . P I 1
H24Q H 0.683882 0.672403 0.812956 0.193 Uiso 0.550(6) 1 calc R . P I 1
C24H C 0.63086(14) 1.0573(7) 0.4762(3) 0.196(4) Uani 0.409(6) 1 d D U P J 1
H24R H 0.640260 1.015764 0.482787 0.235 Uiso 0.409(6) 1 calc R . P J 1
H24S H 0.632855 1.075974 0.496125 0.235 Uiso 0.409(6) 1 calc R . P J 1
C24I C 0.70398(12) 0.1743(10) 0.7215(2) 0.216(4) Uani 0.398(10) 1 d D U P L 1
H24T H 0.712862 0.216853 0.732908 0.260 Uiso 0.398(10) 1 calc R . P L 1
H24U H 0.706340 0.141297 0.738656 0.260 Uiso 0.398(10) 1 calc R . P L 1
C24J C 0.61065(15) 0.3651(6) 0.3790(4) 0.239(4) Uani 0.633(6) 1 d D . P H 1
H24V H 0.601226 0.401074 0.378070 0.287 Uiso 0.633(6) 1 calc R . P H 1
H24W H 0.607916 0.363628 0.357234 0.287 Uiso 0.633(6) 1 calc R . P H 1
C24K C 0.75806(16) 0.5424(10) 0.5390(2) 0.198(4) Uani 0.395(9) 1 d D U P M 1
H24X H 0.763535 0.583204 0.533973 0.237 Uiso 0.395(9) 1 calc R . P M 1
H24Y H 0.769854 0.508634 0.552918 0.237 Uiso 0.395(9) 1 calc R . P M 1
C24L C 0.48210(18) 0.9219(5) 0.35226(16) 0.153(3) Uani 0.370(3) 1 d D . P B 1
H24Z H 0.468693 0.931765 0.348850 0.184 Uiso 0.370(3) 1 calc R . P B 1
HI H 0.492457 0.959330 0.366698 0.184 Uiso 0.370(3) 1 calc R . P B 1
C25A C 0.66620(17) 1.1476(6) 0.4268(3) 0.299(4) Uani 0.388(6) 1 d D U P C 1
H25A H 0.652578 1.156899 0.404898 0.358 Uiso 0.388(6) 1 calc R . P C 1
H25B H 0.663405 1.114592 0.438909 0.358 Uiso 0.388(6) 1 calc R . P C 1
C25B C 0.55338(12) 0.9495(6) 0.5659(3) 0.137(3) Uani 0.612(8) 1 d D U P N 1
H25C H 0.556960 0.971220 0.552148 0.165 Uiso 0.612(8) 1 calc R . P N 1
H25D H 0.556590 0.984599 0.582931 0.165 Uiso 0.612(8) 1 calc R . P N 1
C25C C 0.54421(14) 0.9366(5) 0.2947(3) 0.195(4) Uani 0.688(5) 1 d D U P D 1
H25E H 0.554973 0.921922 0.317966 0.234 Uiso 0.688(5) 1 calc R . P D 1
H25F H 0.551389 0.964287 0.287571 0.234 Uiso 0.688(5) 1 calc R . P D 1
C25D C 0.68987(12) 0.1965(12) 0.5746(2) 0.259(5) Uani 0.565(8) 1 d D U P A 1
H25G H 0.681873 0.164702 0.555110 0.311 Uiso 0.565(8) 1 calc R . P A 1
H25H H 0.683184 0.244058 0.567799 0.311 Uiso 0.565(8) 1 calc R . P A 1
C25E C 0.71503(11) 0.8696(5) 0.76422(16) 0.185(4) Uani 1 1 d D U . . .
H25I H 0.730471 0.874758 0.781363 0.222 Uiso 0.756(10) 1 calc R . P O 1
H25J H 0.712081 0.818432 0.758746 0.222 Uiso 0.756(10) 1 calc R . P O 1
H25K H 0.729755 0.852488 0.776462 0.222 Uiso 0.244(10) 1 calc R . P O 2
H25L H 0.705771 0.827586 0.757576 0.222 Uiso 0.244(10) 1 calc R . P O 2
C25F C 0.52583(14) 0.4741(7) 0.32855(18) 0.213(4) Uani 0.643(9) 1 d D . P K 1
H25M H 0.510475 0.464219 0.313258 0.255 Uiso 0.643(9) 1 calc R . P K 1
H25N H 0.527664 0.521134 0.338744 0.255 Uiso 0.643(9) 1 calc R . P K 1
C25G C 0.70161(18) 0.5869(7) 0.8162(3) 0.177(3) Uani 0.550(6) 1 d D . P I 1
H25O H 0.695654 0.539464 0.814539 0.212 Uiso 0.550(6) 1 calc R . P I 1
H25P H 0.709025 0.583920 0.806180 0.212 Uiso 0.550(6) 1 calc R . P I 1
C25H C 0.63639(16) 1.1153(5) 0.4611(3) 0.212(4) Uani 0.409(6) 1 d D U P J 1
H25Q H 0.651616 1.113365 0.471128 0.254 Uiso 0.409(6) 1 calc R . P J 1
H25R H 0.628152 1.108077 0.436872 0.254 Uiso 0.409(6) 1 calc R . P J 1
C25I C 0.71074(13) 0.1382(7) 0.7024(2) 0.265(4) Uani 0.398(10) 1 d D U P L 1
H25S H 0.698318 0.116861 0.681739 0.318 Uiso 0.398(10) 1 calc R . P L 1
H25T H 0.721055 0.100000 0.715950 0.318 Uiso 0.398(10) 1 calc R . P L 1
C25J C 0.60681(13) 0.2915(6) 0.3878(4) 0.274(4) Uani 0.633(6) 1 d D . P H 1
H25U H 0.611376 0.254050 0.379713 0.329 Uiso 0.633(6) 1 calc R . P H 1
H25V H 0.615360 0.286979 0.412152 0.329 Uiso 0.633(6) 1 calc R . P H 1
C25K C 0.7408(2) 0.5062(10) 0.50698(19) 0.210(4) Uani 0.395(9) 1 d D U P M 1
H25W H 0.727084 0.516869 0.502503 0.252 Uiso 0.395(9) 1 calc R . P M 1
H25X H 0.742983 0.454212 0.510254 0.252 Uiso 0.395(9) 1 calc R . P M 1
C25L C 0.4907(2) 0.8477(5) 0.36799(16) 0.128(3) Uani 0.370(3) 1 d D . P B 1
H25Y H 0.480095 0.811046 0.353331 0.154 Uiso 0.370(3) 1 calc R . P B 1
HJ H 0.503707 0.837793 0.370198 0.154 Uiso 0.370(3) 1 calc R . P B 1
C26A C 0.62751(9) 0.8252(5) 0.42112(15) 0.115(2) Uani 1 1 d . U . . .
C26B C 0.52967(14) 0.9313(6) 0.5440(4) 0.166(5) Uani 0.612(8) 1 d D U P N 1
H26A H 0.525173 0.921392 0.558010 0.199 Uiso 0.612(8) 1 calc R . P N 1
H26B H 0.526902 0.888537 0.530579 0.199 Uiso 0.612(8) 1 calc R . P N 1
C26C C 0.52754(15) 0.9834(5) 0.2923(3) 0.230(5) Uani 0.688(5) 1 d D U P D 1
H26C H 0.515257 0.991086 0.268921 0.277 Uiso 0.688(5) 1 calc R . P D 1
H26D H 0.522568 0.961087 0.304119 0.277 Uiso 0.688(5) 1 calc R . P D 1
C26D C 0.71301(14) 0.2018(15) 0.5875(4) 0.296(10) Uani 0.565(8) 1 d D U P A 1
H26E H 0.720489 0.236740 0.605458 0.444 Uiso 0.565(8) 1 calc GR . P A 1
H26F H 0.713437 0.216673 0.569436 0.444 Uiso 0.565(8) 1 calc GR . P A 1
H26G H 0.719835 0.155325 0.595814 0.444 Uiso 0.565(8) 1 calc GR . P A 1
C26E C 0.70372(14) 0.8940(7) 0.77953(18) 0.203(5) Uani 0.756(10) 1 d D . P O 1
H26H H 0.706565 0.945129 0.785179 0.243 Uiso 0.756(10) 1 calc R . P O 1
H26I H 0.688263 0.887994 0.762808 0.243 Uiso 0.756(10) 1 calc R . P O 1
C26F C 0.53420(13) 0.4789(9) 0.3080(2) 0.228(4) Uani 0.643(9) 1 d D . P K 1
H26J H 0.535218 0.430859 0.301143 0.273 Uiso 0.643(9) 1 calc R . P K 1
H26K H 0.524455 0.507659 0.287777 0.273 Uiso 0.643(9) 1 calc R . P K 1
C26G C 0.7174(2) 0.6073(8) 0.8527(3) 0.201(4) Uani 0.550(6) 1 d D . P I 1
H26L H 0.710579 0.605751 0.863731 0.241 Uiso 0.550(6) 1 calc R . P I 1
H26M H 0.722829 0.655941 0.854838 0.241 Uiso 0.550(6) 1 calc R . P I 1
C26H C 0.63086(19) 1.1878(5) 0.4682(4) 0.236(5) Uani 0.409(6) 1 d D U P J 1
H26N H 0.615399 1.195607 0.452990 0.283 Uiso 0.409(6) 1 calc R . P J 1
H26O H 0.635503 1.189006 0.491247 0.283 Uiso 0.409(6) 1 calc R . P J 1
C26I C 0.72088(14) 0.1952(8) 0.6941(2) 0.291(5) Uani 0.398(10) 1 d D U P L 1
H26P H 0.732337 0.219889 0.714571 0.350 Uiso 0.398(10) 1 calc R . P L 1
H26Q H 0.710133 0.230834 0.678758 0.350 Uiso 0.398(10) 1 calc R . P L 1
C46J C 0.58337(14) 0.2813(6) 0.3722(5) 0.299(5) Uani 0.633(6) 1 d D . P H 1
H46A H 0.574434 0.300745 0.349391 0.359 Uiso 0.633(6) 1 calc R . P H 1
H46B H 0.579868 0.306473 0.385361 0.359 Uiso 0.633(6) 1 calc R . P H 1
C26K C 0.73905(16) 0.5262(10) 0.4762(2) 0.221(5) Uani 0.395(9) 1 d D U P M 1
H26R H 0.724281 0.519510 0.456243 0.266 Uiso 0.395(9) 1 calc R . P M 1
H26S H 0.742676 0.577024 0.477486 0.266 Uiso 0.395(9) 1 calc R . P M 1
C26L C 0.49556(19) 0.8438(6) 0.40187(16) 0.109(3) Uani 0.370(3) 1 d D . P B 1
H26T H 0.484171 0.868313 0.400827 0.131 Uiso 0.370(3) 1 calc R . P B 1
H26U H 0.508903 0.869630 0.418004 0.131 Uiso 0.370(3) 1 calc R . P B 1
C27A C 0.62826(10) 0.8081(5) 0.44407(16) 0.117(2) Uani 1 1 d . U . . .
C27B C 0.5172(4) 0.9954(8) 0.5210(6) 0.245(9) Uani 0.260(12) 1 d D U P N 1
H27A H 0.506888 0.978614 0.498234 0.367 Uiso 0.260(12) 1 calc GR . P N 1
H27B H 0.526986 1.028695 0.521954 0.367 Uiso 0.260(12) 1 calc GR . P N 1
H27C H 0.509752 1.019457 0.528345 0.367 Uiso 0.260(12) 1 calc GR . P N 1
C27C C 0.5389(3) 1.0537(6) 0.3088(5) 0.283(9) Uani 0.688(5) 1 d D U P D 1
H27D H 0.528666 1.088308 0.305909 0.425 Uiso 0.688(5) 1 calc GR . P D 1
H27E H 0.545175 1.071908 0.298551 0.425 Uiso 0.688(5) 1 calc GR . P D 1
H27F H 0.549975 1.045813 0.332485 0.425 Uiso 0.688(5) 1 calc GR . P D 1
C27D C 0.61907(11) 0.2611(5) 0.5657(2) 0.121(3) Uani 1 1 d . U . . .
C27E C 0.7113(2) 0.8514(8) 0.8109(2) 0.234(8) Uani 0.756(10) 1 d D . P O 1
H27G H 0.703154 0.807196 0.804522 0.351 Uiso 0.756(10) 1 calc GR . P O 1
H27H H 0.709113 0.879740 0.824835 0.351 Uiso 0.756(10) 1 calc GR . P O 1
H27I H 0.726312 0.840230 0.823345 0.351 Uiso 0.756(10) 1 calc GR . P O 1
C27F C 0.55620(16) 0.5140(10) 0.3297(4) 0.245(8) Uani 0.643(9) 1 d D . P K 1
H27J H 0.555851 0.558582 0.319379 0.367 Uiso 0.643(9) 1 calc GR . P K 1
H27K H 0.566623 0.481882 0.331727 0.367 Uiso 0.643(9) 1 calc GR . P K 1
H27L H 0.560107 0.523862 0.351679 0.367 Uiso 0.643(9) 1 calc GR . P K 1
C27G C 0.7357(2) 0.5528(8) 0.8688(5) 0.236(7) Uani 0.550(6) 1 d D . P I 1
H27M H 0.746353 0.564580 0.892237 0.353 Uiso 0.550(6) 1 calc GR . P I 1
H27N H 0.742193 0.554330 0.857451 0.353 Uiso 0.550(6) 1 calc GR . P I 1
H27O H 0.730188 0.505020 0.866873 0.353 Uiso 0.550(6) 1 calc GR . P I 1
C27H C 0.6422(2) 1.2458(7) 0.4633(4) 0.255(9) Uani 0.409(6) 1 d D U P J 1
H27P H 0.653998 1.264518 0.484912 0.383 Uiso 0.409(6) 1 calc GR . P J 1
H27Q H 0.632239 1.284351 0.449945 0.383 Uiso 0.409(6) 1 calc GR . P J 1
H27R H 0.647536 1.225813 0.451907 0.383 Uiso 0.409(6) 1 calc GR . P J 1
C27I C 0.72993(18) 0.1590(13) 0.6778(3) 0.344(11) Uani 0.398(10) 1 d D U P L 1
H27S H 0.725884 0.186445 0.658311 0.516 Uiso 0.398(10) 1 calc GR . P L 1
H27T H 0.724275 0.110718 0.670947 0.516 Uiso 0.398(10) 1 calc GR . P L 1
H27U H 0.745376 0.157008 0.693696 0.516 Uiso 0.398(10) 1 calc GR . P L 1
C27J C 0.5793(3) 0.2011(6) 0.3714(6) 0.350(11) Uani 0.633(6) 1 d D . P H 1
H27V H 0.592292 0.177595 0.389676 0.525 Uiso 0.633(6) 1 calc GR . P H 1
H27W H 0.574872 0.181047 0.350311 0.525 Uiso 0.633(6) 1 calc GR . P H 1
H27X H 0.568137 0.193529 0.373900 0.525 Uiso 0.633(6) 1 calc GR . P H 1
C27K C 0.75368(17) 0.4814(11) 0.4730(3) 0.228(8) Uani 0.395(9) 1 d D U P M 1
H27Y H 0.750510 0.490058 0.451429 0.342 Uiso 0.395(9) 1 calc GR . P M 1
HK H 0.751550 0.431007 0.475034 0.342 Uiso 0.395(9) 1 calc GR . P M 1
HL H 0.768400 0.494382 0.490649 0.342 Uiso 0.395(9) 1 calc GR . P M 1
C27L C 0.49769(17) 0.7673(5) 0.41458(19) 0.098(2) Uani 0.370(3) 1 d D . P B 1
C28A C 0.7214(2) 0.5935(7) 0.3855(3) 0.295(10) Uani 0.612(6) 1 d D . P C 2
H28A H 0.715191 0.610367 0.363068 0.442 Uiso 0.612(6) 1 calc GR . P C 2
H28B H 0.712967 0.553788 0.384290 0.442 Uiso 0.612(6) 1 calc GR . P C 2
H28C H 0.735894 0.577694 0.396200 0.442 Uiso 0.612(6) 1 calc GR . P C 2
C28B C 0.55769(11) 0.8894(13) 0.6015(2) 0.137(3) Uani 0.388(8) 1 d D . P N 2
H28D H 0.561564 0.936296 0.612518 0.165 Uiso 0.388(8) 1 calc R . P N 2
H28E H 0.564535 0.852664 0.618990 0.165 Uiso 0.388(8) 1 calc R . P N 2
C28C C 0.5503(4) 0.3671(13) 0.2570(3) 0.292(10) Uani 0.312(5) 1 d D . P D 2
H28F H 0.563199 0.393784 0.273351 0.438 Uiso 0.312(5) 1 calc GR . P D 2
H28G H 0.553693 0.316466 0.258724 0.438 Uiso 0.312(5) 1 calc GR . P D 2
H28H H 0.539983 0.373994 0.261361 0.438 Uiso 0.312(5) 1 calc GR . P D 2
C28D C 0.67464(12) 0.1999(7) 0.5847(4) 0.210(4) Uani 0.435(8) 1 d D . P A 2
H28I H 0.683536 0.169296 0.604449 0.252 Uiso 0.435(8) 1 calc R . P A 2
H28J H 0.672283 0.174232 0.565704 0.252 Uiso 0.435(8) 1 calc R . P A 2
C28E C 0.7133(2) 0.9175(6) 0.7874(3) 0.203(5) Uani 0.244(10) 1 d D U P O 2
H28K H 0.699512 0.908747 0.783079 0.243 Uiso 0.244(10) 1 calc R . P O 2
H28L H 0.724595 0.904706 0.810780 0.243 Uiso 0.244(10) 1 calc R . P O 2
C28F C 0.5485(4) 0.1619(12) 0.5488(3) 0.207(8) Uani 0.348(10) 1 d D . P E 2
H28M H 0.561548 0.170078 0.551200 0.311 Uiso 0.348(10) 1 calc GR . P E 2
H28N H 0.551470 0.129994 0.566383 0.311 Uiso 0.348(10) 1 calc GR . P E 2
H28O H 0.543157 0.207235 0.550364 0.311 Uiso 0.348(10) 1 calc GR . P E 2
C28G C 0.5610(4) 0.9049(16) 0.6805(3) 0.287(10) Uani 0.466(7) 1 d D . P F 2
H28P H 0.558067 0.953846 0.672157 0.431 Uiso 0.466(7) 1 calc GR . P F 2
H28Q H 0.547716 0.879728 0.670772 0.431 Uiso 0.466(7) 1 calc GR . P F 2
H28R H 0.569090 0.880743 0.674286 0.431 Uiso 0.466(7) 1 calc GR . P F 2
C28H C 0.60108(13) 0.9834(7) 0.4553(2) 0.156(3) Uani 0.591(6) 1 d D . P J 2
H28S H 0.610675 0.942057 0.462875 0.188 Uiso 0.591(6) 1 calc R . P J 2
H28T H 0.601674 1.010457 0.439222 0.188 Uiso 0.591(6) 1 calc R . P J 2
C28I C 0.5826(4) 0.0430(11) 0.6796(3) 0.210(8) Uani 0.350(7) 1 d D U P G 2
H28U H 0.597644 0.041501 0.689271 0.316 Uiso 0.350(7) 1 calc GR . P G 2
H28V H 0.576967 -0.005447 0.674711 0.316 Uiso 0.350(7) 1 calc GR . P G 2
H28W H 0.580911 0.065221 0.695263 0.316 Uiso 0.350(7) 1 calc GR . P G 2
C28J C 0.7397(2) 0.7588(19) 0.5257(6) 0.250(9) Uani 0.367(6) 1 d D U P H 2
H28X H 0.743037 0.800971 0.539437 0.375 Uiso 0.367(6) 1 calc GR . P H 2
H28Y H 0.749471 0.755937 0.520080 0.375 Uiso 0.367(6) 1 calc GR . P H 2
HM H 0.741170 0.716200 0.538029 0.375 Uiso 0.367(6) 1 calc GR . P H 2
C28K C 0.74822(15) 0.5245(7) 0.53024(18) 0.198(4) Uani 0.605(9) 1 d D . P M 2
H28Z H 0.757745 0.482808 0.539925 0.237 Uiso 0.605(9) 1 calc R . P M 2
HN H 0.733545 0.507348 0.513985 0.237 Uiso 0.605(9) 1 calc R . P M 2
C28L C 0.5061(2) 0.7777(6) 0.45088(17) 0.100(2) Uani 0.370(3) 1 d D . P B 1
H28 H 0.519731 0.803582 0.462763 0.120 Uiso 0.370(3) 1 calc R . P B 1
HO H 0.496080 0.808448 0.450970 0.120 Uiso 0.370(3) 1 calc R . P B 1
C29A C 0.72138(16) 0.6546(6) 0.4058(3) 0.215(5) Uani 0.612(6) 1 d D . P C 2
H29A H 0.732979 0.688221 0.412873 0.258 Uiso 0.612(6) 1 calc R . P C 2
H29B H 0.723717 0.635231 0.425932 0.258 Uiso 0.612(6) 1 calc R . P C 2
C29B C 0.53372(14) 0.8805(7) 0.5808(5) 0.166(5) Uani 0.388(8) 1 d D . P N 2
H29C H 0.529297 0.841276 0.564859 0.199 Uiso 0.388(8) 1 calc R . P N 2
H29D H 0.530241 0.866247 0.595768 0.199 Uiso 0.388(8) 1 calc R . P N 2
C29C C 0.5409(3) 0.3940(6) 0.2218(3) 0.242(5) Uani 0.312(5) 1 d D . P D 2
H29E H 0.525573 0.403384 0.209025 0.290 Uiso 0.312(5) 1 calc R . P D 2
H29F H 0.543047 0.358614 0.209672 0.290 Uiso 0.312(5) 1 calc R . P D 2
C29D C 0.70984(14) 0.2490(8) 0.6035(3) 0.259(5) Uani 0.435(8) 1 d D . P A 2
H29G H 0.709873 0.231095 0.585191 0.311 Uiso 0.435(8) 1 calc R . P A 2
H29H H 0.718760 0.292185 0.612730 0.311 Uiso 0.435(8) 1 calc R . P A 2
C29E C 0.7151(3) 0.9969(6) 0.7823(4) 0.234(8) Uani 0.244(10) 1 d D U P O 2
H29I H 0.727752 1.004710 0.783671 0.351 Uiso 0.244(10) 1 calc DGR . P O 2
H29J H 0.716045 1.024767 0.799437 0.351 Uiso 0.244(10) 1 calc GR . P O 2
H29K H 0.702556 1.011663 0.760413 0.351 Uiso 0.244(10) 1 calc DGR . P O 2
C29F C 0.5317(3) 0.1275(7) 0.5146(3) 0.198(5) Uani 0.348(10) 1 d D . P E 2
H29L H 0.538605 0.096468 0.507937 0.238 Uiso 0.348(10) 1 calc R . P E 2
H29M H 0.521684 0.098668 0.515444 0.238 Uiso 0.348(10) 1 calc R . P E 2
C29G C 0.5741(2) 0.9058(7) 0.7186(3) 0.275(5) Uani 0.466(7) 1 d D . P F 2
H29N H 0.564844 0.899262 0.725321 0.330 Uiso 0.466(7) 1 calc R . P F 2
H29O H 0.581879 0.951107 0.727902 0.330 Uiso 0.466(7) 1 calc R . P F 2
C29H C 0.60829(13) 1.0307(6) 0.4849(2) 0.179(4) Uani 0.591(6) 1 d D . P J 2
H29P H 0.607263 1.003701 0.500641 0.215 Uiso 0.591(6) 1 calc R . P J 2
H29Q H 0.598761 1.072214 0.477184 0.215 Uiso 0.591(6) 1 calc R . P J 2
C29I C 0.57060(15) 0.0864(9) 0.6475(2) 0.156(4) Uani 0.350(7) 1 d D U P G 2
H29R H 0.557866 0.060109 0.629596 0.188 Uiso 0.350(7) 1 calc R . P G 2
H29S H 0.566032 0.132242 0.650782 0.188 Uiso 0.350(7) 1 calc R . P G 2
C29J C 0.71696(16) 0.7642(9) 0.4939(4) 0.222(5) Uani 0.367(6) 1 d D U P H 2
H29T H 0.711225 0.811890 0.492435 0.266 Uiso 0.367(6) 1 calc R . P H 2
H29U H 0.716859 0.757914 0.474440 0.266 Uiso 0.367(6) 1 calc R . P H 2
C29K C 0.75430(15) 0.5727(7) 0.51342(18) 0.210(4) Uani 0.605(9) 1 d D . P M 2
H29V H 0.768408 0.593178 0.530455 0.252 Uiso 0.605(9) 1 calc R . P M 2
H29W H 0.744073 0.612391 0.502773 0.252 Uiso 0.605(9) 1 calc R . P M 2
C29L C 0.5096(3) 0.7108(6) 0.47012(19) 0.106(2) Uani 0.370(3) 1 d D . P B 1
H29X H 0.516981 0.675063 0.466255 0.127 Uiso 0.370(3) 1 calc R . P B 1
H29Y H 0.495741 0.690792 0.462197 0.127 Uiso 0.370(3) 1 calc R . P B 1
C30A C 0.69985(15) 0.6939(5) 0.3843(3) 0.178(4) Uani 0.612(6) 1 d D . P C 2
H30A H 0.695628 0.701311 0.361710 0.213 Uiso 0.612(6) 1 calc R . P C 2
H30B H 0.688855 0.664788 0.382502 0.213 Uiso 0.612(6) 1 calc R . P C 2
C30B C 0.5211(2) 0.9456(6) 0.5620(4) 0.245(9) Uani 0.740(12) 1 d D . P N 2
H30C H 0.527141 0.968331 0.552139 0.367 Uiso 0.740(12) 1 calc GR . P N 2
H30D H 0.521405 0.978949 0.577096 0.367 Uiso 0.740(12) 1 calc GR . P N 2
H30E H 0.506408 0.931962 0.544390 0.367 Uiso 0.740(12) 1 calc GR . P N 2
C30C C 0.55307(18) 0.4637(5) 0.2272(4) 0.219(4) Uani 0.312(5) 1 d D . P D 2
H30F H 0.568037 0.459349 0.246893 0.263 Uiso 0.312(5) 1 calc R . P D 2
H30G H 0.552594 0.474069 0.207673 0.263 Uiso 0.312(5) 1 calc R . P D 2
C30D C 0.7185(4) 0.1923(8) 0.6304(4) 0.296(10) Uani 0.435(8) 1 d D . P A 2
H30H H 0.732938 0.205071 0.649388 0.444 Uiso 0.435(8) 1 calc GR . P A 2
H30I H 0.718741 0.146249 0.621587 0.444 Uiso 0.435(8) 1 calc GR . P A 2
H30J H 0.709520 0.189226 0.637436 0.444 Uiso 0.435(8) 1 calc GR . P A 2
C30F C 0.52017(16) 0.1895(7) 0.4899(2) 0.194(4) Uani 0.348(10) 1 d D U P E 2
H30K H 0.505770 0.174257 0.471126 0.232 Uiso 0.348(10) 1 calc R . P E 2
H30L H 0.518860 0.229916 0.501037 0.232 Uiso 0.348(10) 1 calc R . P E 2
C30G C 0.58965(19) 0.8426(6) 0.7306(3) 0.259(4) Uani 0.466(7) 1 d D . P F 2
H30M H 0.604172 0.861350 0.742374 0.310 Uiso 0.466(7) 1 calc R . P F 2
H30N H 0.589244 0.813825 0.746477 0.310 Uiso 0.466(7) 1 calc R . P F 2
C30H C 0.63130(14) 1.0568(6) 0.5031(3) 0.196(4) Uani 0.591(6) 1 d D . P J 2
H30O H 0.637647 1.068578 0.526421 0.235 Uiso 0.591(6) 1 calc R . P J 2
H30P H 0.639937 1.019316 0.502945 0.235 Uiso 0.591(6) 1 calc R . P J 2
C30I C 0.58506(15) 0.0996(7) 0.6379(3) 0.150(4) Uani 0.350(7) 1 d D U P G 2
H30Q H 0.576917 0.094129 0.613595 0.180 Uiso 0.350(7) 1 calc R . P G 2
H30R H 0.596527 0.063787 0.648713 0.180 Uiso 0.350(7) 1 calc R . P G 2
C30J C 0.70299(18) 0.7074(8) 0.4934(3) 0.205(4) Uani 0.367(6) 1 d D U P H 2
H30S H 0.697957 0.724354 0.505911 0.246 Uiso 0.367(6) 1 calc R . P H 2
H30T H 0.711264 0.663423 0.503991 0.246 Uiso 0.367(6) 1 calc R . P H 2
C30K C 0.75489(19) 0.5348(6) 0.4870(2) 0.221(5) Uani 0.605(9) 1 d D . P M 2
H30U H 0.740448 0.534912 0.465777 0.266 Uiso 0.605(9) 1 calc R . P M 2
H30V H 0.764028 0.562538 0.483691 0.266 Uiso 0.605(9) 1 calc R . P M 2
C30L C 0.5226(3) 0.7265(7) 0.50685(19) 0.109(3) Uani 0.370(3) 1 d D . P B 1
H30W H 0.515304 0.763931 0.510224 0.131 Uiso 0.370(3) 1 calc R . P B 1
H30X H 0.536423 0.745708 0.514487 0.131 Uiso 0.370(3) 1 calc R . P B 1
C31A C 0.70170(15) 0.7652(5) 0.3999(3) 0.155(3) Uani 0.612(6) 1 d D . P C 2
H31A H 0.713154 0.792924 0.402366 0.186 Uiso 0.612(6) 1 calc R . P C 2
H31B H 0.705759 0.756967 0.422295 0.186 Uiso 0.612(6) 1 calc R . P C 2
C31C C 0.54212(19) 0.5231(5) 0.2324(4) 0.192(4) Uani 0.312(5) 1 d D . P D 2
H31C H 0.538066 0.504954 0.246102 0.231 Uiso 0.312(5) 1 calc R . P D 2
H31D H 0.529052 0.537542 0.210666 0.231 Uiso 0.312(5) 1 calc R . P D 2
C31F C 0.53011(14) 0.4030(8) 0.3481(2) 0.207(3) Uani 0.357(9) 1 d D U P K 2
H31E H 0.516723 0.402594 0.325312 0.248 Uiso 0.357(9) 1 calc R . P K 2
H31F H 0.537257 0.356708 0.352352 0.248 Uiso 0.357(9) 1 calc R . P K 2
C31G C 0.58458(17) 0.7949(6) 0.7024(3) 0.220(4) Uani 0.466(7) 1 d D . P F 2
H31G H 0.580785 0.824783 0.683414 0.264 Uiso 0.466(7) 1 calc R . P F 2
H31H H 0.572238 0.764792 0.694928 0.264 Uiso 0.466(7) 1 calc R . P F 2
C31H C 0.63065(14) 1.1228(6) 0.4850(3) 0.212(4) Uani 0.591(6) 1 d D . P J 2
H31I H 0.625542 1.109036 0.462472 0.254 Uiso 0.591(6) 1 calc R . P J 2
H31J H 0.620375 1.157005 0.482706 0.254 Uiso 0.591(6) 1 calc R . P J 2
C31I C 0.59478(17) 0.1747(5) 0.6482(5) 0.124(3) Uani 0.350(7) 1 d D U P G 2
H31K H 0.584230 0.197709 0.649702 0.149 Uiso 0.350(7) 1 calc R . P G 2
H31L H 0.590857 0.191042 0.626563 0.149 Uiso 0.350(7) 1 calc R . P G 2
C31J C 0.6839(3) 0.6919(6) 0.4571(3) 0.197(4) Uani 0.367(6) 1 d D U P H 2
H31M H 0.685287 0.719331 0.441896 0.236 Uiso 0.367(6) 1 calc R . P H 2
H31N H 0.670690 0.706666 0.453378 0.236 Uiso 0.367(6) 1 calc R . P H 2
C31K C 0.7627(3) 0.4601(6) 0.4951(4) 0.228(8) Uani 0.605(9) 1 d D . P M 2
H31O H 0.776972 0.458105 0.501198 0.342 Uiso 0.605(9) 1 calc GR . P M 2
H31P H 0.753235 0.429817 0.475770 0.342 Uiso 0.605(9) 1 calc GR . P M 2
H31Q H 0.763075 0.443318 0.513706 0.342 Uiso 0.605(9) 1 calc GR . P M 2
C31L C 0.5263(3) 0.6631(7) 0.5282(2) 0.123(3) Uani 0.370(3) 1 d D . P B 1
H31R H 0.536034 0.628922 0.528910 0.148 Uiso 0.370(3) 1 calc R . P B 1
H31S H 0.512810 0.638527 0.519115 0.148 Uiso 0.370(3) 1 calc R . P B 1
C32A C 0.68126(14) 0.8094(5) 0.3798(3) 0.134(3) Uani 0.612(6) 1 d D . P C 2
H32A H 0.677293 0.819819 0.357602 0.161 Uiso 0.612(6) 1 calc R . P C 2
H32B H 0.669607 0.782311 0.376975 0.161 Uiso 0.612(6) 1 calc R . P C 2
C32C C 0.55662(18) 0.5882(5) 0.2495(4) 0.168(3) Uani 0.312(5) 1 d D . P D 2
H32C H 0.568701 0.576100 0.272497 0.202 Uiso 0.312(5) 1 calc R . P D 2
H32D H 0.562217 0.603055 0.237462 0.202 Uiso 0.312(5) 1 calc R . P D 2
C32F C 0.54451(12) 0.4643(7) 0.3522(2) 0.213(4) Uani 0.357(9) 1 d D U P K 2
H32E H 0.535806 0.504826 0.337843 0.255 Uiso 0.357(9) 1 calc R . P K 2
H32F H 0.553726 0.480850 0.375451 0.255 Uiso 0.357(9) 1 calc R . P K 2
C32G C 0.60350(16) 0.7472(5) 0.7131(3) 0.196(4) Uani 0.466(7) 1 d D . P F 2
H32G H 0.603765 0.740369 0.694042 0.235 Uiso 0.466(7) 1 calc R . P F 2
H32H H 0.616750 0.771439 0.730830 0.235 Uiso 0.466(7) 1 calc R . P F 2
C32H C 0.65192(17) 1.1595(6) 0.5024(5) 0.236(5) Uani 0.591(6) 1 d D . P J 2
H32I H 0.660448 1.135597 0.496831 0.283 Uiso 0.591(6) 1 calc R . P J 2
H32J H 0.659768 1.157160 0.526743 0.283 Uiso 0.591(6) 1 calc R . P J 2
C32I C 0.61381(12) 0.2256(8) 0.6713(4) 0.110(3) Uani 0.350(7) 1 d D U P G 2
H32K H 0.609738 0.273903 0.661619 0.132 Uiso 0.350(7) 1 calc R . P G 2
H32L H 0.616356 0.227834 0.692949 0.132 Uiso 0.350(7) 1 calc R . P G 2
C32J C 0.68302(16) 0.6113(5) 0.4500(4) 0.180(4) Uani 0.367(6) 1 d D U P H 2
H32M H 0.683217 0.604340 0.430831 0.216 Uiso 0.367(6) 1 calc R . P H 2
H32N H 0.695595 0.587460 0.469406 0.216 Uiso 0.367(6) 1 calc R . P H 2
C32L C 0.5362(2) 0.6916(10) 0.5634(2) 0.138(3) Uani 0.370(3) 1 d D . P B 1
H32O H 0.537042 0.744086 0.563460 0.166 Uiso 0.370(3) 1 calc R . P B 1
H32P H 0.527131 0.678395 0.569892 0.166 Uiso 0.370(3) 1 calc R . P B 1
C33A C 0.68476(16) 0.8780(5) 0.3979(2) 0.126(2) Uani 0.612(6) 1 d D . P C 2
H33A H 0.688361 0.866132 0.419808 0.151 Uiso 0.612(6) 1 calc R . P C 2
H33B H 0.697180 0.902206 0.402010 0.151 Uiso 0.612(6) 1 calc R . P C 2
C33C C 0.54366(18) 0.6487(5) 0.2494(4) 0.149(3) Uani 0.312(5) 1 d D . P D 2
H33C H 0.538631 0.633384 0.262170 0.179 Uiso 0.312(5) 1 calc R . P D 2
H33D H 0.531074 0.657430 0.226328 0.179 Uiso 0.312(5) 1 calc R . P D 2
C33F C 0.55803(14) 0.4356(8) 0.3422(2) 0.228(4) Uani 0.357(9) 1 d D U P K 2
H33E H 0.572204 0.422231 0.362255 0.273 Uiso 0.357(9) 1 calc R . P K 2
H33F H 0.551300 0.392589 0.328315 0.273 Uiso 0.357(9) 1 calc R . P K 2
C33G C 0.64041(12) 0.6718(7) 0.7480(4) 0.133(3) Uani 0.450(6) 1 d D U P I 2
H33G H 0.636758 0.702556 0.729379 0.160 Uiso 0.450(6) 1 calc R . P I 2
H33H H 0.643526 0.703007 0.766164 0.160 Uiso 0.450(6) 1 calc R . P I 2
C33H C 0.6480(3) 1.2374(6) 0.4910(5) 0.255(9) Uani 0.591(6) 1 d D . P J 2
H33I H 0.646756 1.266385 0.505802 0.383 Uiso 0.591(6) 1 calc GR . P J 2
H33J H 0.634903 1.240855 0.468365 0.383 Uiso 0.591(6) 1 calc GR . P J 2
H33K H 0.659849 1.254732 0.491668 0.383 Uiso 0.591(6) 1 calc GR . P J 2
C33I C 0.70012(11) 0.1504(8) 0.7141(2) 0.216(4) Uani 0.602(10) 1 d D . P L 2
H33L H 0.697104 0.100053 0.715460 0.260 Uiso 0.602(10) 1 calc R . P L 2
H33M H 0.711759 0.167458 0.736542 0.260 Uiso 0.602(10) 1 calc R . P L 2
C33J C 0.66305(16) 0.5783(6) 0.4424(4) 0.170(4) Uani 0.367(6) 1 d D U P H 2
H33N H 0.650553 0.605764 0.424681 0.204 Uiso 0.367(6) 1 calc R . P H 2
H33O H 0.663647 0.580154 0.462423 0.204 Uiso 0.367(6) 1 calc R . P H 2
C33L C 0.5581(2) 0.6605(12) 0.5879(4) 0.143(5) Uani 0.370(3) 1 d D . P B 1
H33P H 0.559763 0.618968 0.577996 0.214 Uiso 0.370(3) 1 calc GR . P B 1
H33Q H 0.560023 0.646287 0.608062 0.214 Uiso 0.370(3) 1 calc GR . P B 1
H33R H 0.568733 0.696311 0.593314 0.214 Uiso 0.370(3) 1 calc GR . P B 1
C34A C 0.66662(17) 0.9297(5) 0.3810(2) 0.131(2) Uani 0.612(6) 1 d D . P C 2
C34C C 0.55591(16) 0.7188(5) 0.2641(4) 0.137(2) Uani 0.312(5) 1 d D . P D 2
C34F C 0.5602(2) 0.4925(9) 0.3227(3) 0.245(8) Uani 0.357(9) 1 d D U P K 2
H34A H 0.567187 0.534590 0.336687 0.367 Uiso 0.357(9) 1 calc GR . P K 2
H34B H 0.546166 0.505612 0.302859 0.367 Uiso 0.357(9) 1 calc GR . P K 2
H34C H 0.568690 0.473660 0.316238 0.367 Uiso 0.357(9) 1 calc GR . P K 2
C34G C 0.66017(12) 0.6285(7) 0.7601(4) 0.138(3) Uani 0.450(6) 1 d D U P I 2
H34D H 0.657503 0.600953 0.741249 0.166 Uiso 0.450(6) 1 calc R . P I 2
H34E H 0.662943 0.594228 0.777069 0.166 Uiso 0.450(6) 1 calc R . P I 2
C34I C 0.70572(12) 0.1597(11) 0.6895(2) 0.265(4) Uani 0.602(10) 1 d D . P L 2
H34F H 0.702902 0.208967 0.680954 0.318 Uiso 0.602(10) 1 calc R . P L 2
H34G H 0.697356 0.126625 0.670541 0.318 Uiso 0.602(10) 1 calc R . P L 2
C34J C 0.6609(2) 0.5000(6) 0.4312(4) 0.167(3) Uani 0.367(6) 1 d D U P H 2
C34L C 0.4726(3) 0.9856(12) 0.2980(2) 0.237(7) Uani 0.630(3) 1 d D U P B 2
H34H H 0.475925 1.026334 0.289804 0.355 Uiso 0.630(3) 1 calc GR . P B 2
H34I H 0.457299 0.979149 0.284252 0.355 Uiso 0.630(3) 1 calc GR . P B 2
H34J H 0.479167 0.942701 0.296829 0.355 Uiso 0.630(3) 1 calc GR . P B 2
C35A C 0.67511(14) 1.0016(5) 0.3996(3) 0.157(3) Uani 0.612(6) 1 d D . P C 2
H35A H 0.685698 0.992713 0.423583 0.188 Uiso 0.612(6) 1 calc R . P C 2
H35B H 0.682173 1.027638 0.391813 0.188 Uiso 0.612(6) 1 calc R . P C 2
C35C C 0.54197(17) 0.7729(5) 0.2658(4) 0.143(3) Uani 0.312(5) 1 d D . P D 2
H35C H 0.528660 0.779837 0.243183 0.172 Uiso 0.312(5) 1 calc R . P D 2
H35D H 0.538277 0.752983 0.279677 0.172 Uiso 0.312(5) 1 calc R . P D 2
C35G C 0.67995(12) 0.6754(7) 0.7748(5) 0.161(3) Uani 0.450(6) 1 d D U P I 2
H35E H 0.677321 0.710989 0.758374 0.193 Uiso 0.450(6) 1 calc R . P I 2
H35F H 0.683457 0.700830 0.794663 0.193 Uiso 0.450(6) 1 calc R . P I 2
C35I C 0.72995(13) 0.1421(7) 0.7107(4) 0.291(5) Uani 0.602(10) 1 d D . P L 2
H35G H 0.734028 0.105531 0.727635 0.350 Uiso 0.602(10) 1 calc R . P L 2
H35H H 0.733787 0.125292 0.696526 0.350 Uiso 0.602(10) 1 calc R . P L 2
C35J C 0.6381(2) 0.4903(6) 0.3994(5) 0.182(3) Uani 0.367(6) 1 d D U P H 2
H35I H 0.628600 0.522196 0.400200 0.218 Uiso 0.367(6) 1 calc R . P H 2
H35J H 0.637586 0.504392 0.380081 0.218 Uiso 0.367(6) 1 calc R . P H 2
C35L C 0.4815(2) 0.9991(6) 0.3344(2) 0.207(4) Uani 0.630(3) 1 d D U P B 2
H35K H 0.490999 1.040754 0.343606 0.249 Uiso 0.630(3) 1 calc R . P B 2
H35L H 0.469795 1.007710 0.335922 0.249 Uiso 0.630(3) 1 calc R . P B 2
C36A C 0.65717(16) 1.0469(5) 0.3936(3) 0.204(4) Uani 0.612(6) 1 d D . P C 2
H36A H 0.649264 1.018649 0.399202 0.244 Uiso 0.612(6) 1 calc R . P C 2
H36B H 0.647301 1.059071 0.369758 0.244 Uiso 0.612(6) 1 calc R . P C 2
C36C C 0.55262(18) 0.8450(5) 0.2798(4) 0.160(3) Uani 0.312(5) 1 d D . P D 2
H36C H 0.556165 0.865006 0.265701 0.192 Uiso 0.312(5) 1 calc R . P D 2
H36D H 0.566031 0.837816 0.302233 0.192 Uiso 0.312(5) 1 calc R . P D 2
C36G C 0.69815(13) 0.6264(8) 0.7842(4) 0.177(3) Uani 0.450(6) 1 d D U P I 2
H36E H 0.697029 0.582266 0.793669 0.212 Uiso 0.450(6) 1 calc R . P I 2
H36F H 0.696183 0.613139 0.763665 0.212 Uiso 0.450(6) 1 calc R . P I 2
C36I C 0.7406(3) 0.2148(7) 0.7271(7) 0.344(11) Uani 0.602(10) 1 d D . P L 2
H36G H 0.744008 0.239257 0.713847 0.516 Uiso 0.602(10) 1 calc GR . P L 2
H36H H 0.753655 0.206630 0.749506 0.516 Uiso 0.602(10) 1 calc GR . P L 2
H36I H 0.730954 0.244067 0.728337 0.516 Uiso 0.602(10) 1 calc GR . P L 2
C36J C 0.63014(17) 0.4137(6) 0.3944(6) 0.205(4) Uani 0.367(6) 1 d D U P H 2
H36J H 0.632313 0.396592 0.414680 0.247 Uiso 0.367(6) 1 calc R . P H 2
H36K H 0.638084 0.382173 0.389879 0.247 Uiso 0.367(6) 1 calc R . P H 2
C36L C 0.49346(17) 0.9320(6) 0.3531(2) 0.179(3) Uani 0.630(3) 1 d D U P B 2
H36L H 0.508627 0.937949 0.363298 0.215 Uiso 0.630(3) 1 calc R . P B 2
H36M H 0.487959 0.891377 0.337601 0.215 Uiso 0.630(3) 1 calc R . P B 2
C37A C 0.6651(3) 1.1165(6) 0.4142(2) 0.262(4) Uani 0.612(6) 1 d D . P C 2
H37A H 0.671179 1.147633 0.406301 0.314 Uiso 0.612(6) 1 calc R . P C 2
H37B H 0.652794 1.141672 0.410255 0.314 Uiso 0.612(6) 1 calc R . P C 2
C37C C 0.53897(18) 0.8992(5) 0.2820(4) 0.172(3) Uani 0.312(5) 1 d D . P D 2
H37C H 0.524095 0.894795 0.261989 0.206 Uiso 0.312(5) 1 calc R . P D 2
H37D H 0.539511 0.888084 0.301497 0.206 Uiso 0.312(5) 1 calc R . P D 2
C37G C 0.72042(18) 0.6555(8) 0.8086(3) 0.201(4) Uani 0.450(6) 1 d D U P I 2
H37E H 0.720128 0.705394 0.814485 0.241 Uiso 0.450(6) 1 calc R . P I 2
H37F H 0.728320 0.652991 0.799367 0.241 Uiso 0.450(6) 1 calc R . P I 2
C37J C 0.60606(15) 0.4120(7) 0.3645(4) 0.239(4) Uani 0.367(6) 1 d D U P H 2
H37G H 0.599315 0.457532 0.363017 0.287 Uiso 0.367(6) 1 calc R . P H 2
H37H H 0.604158 0.404802 0.343510 0.287 Uiso 0.367(6) 1 calc R . P H 2
C37L C 0.49078(16) 0.9169(5) 0.3809(2) 0.153(3) Uani 0.630(3) 1 d D U P B 2
H37I H 0.501682 0.942188 0.401612 0.184 Uiso 0.630(3) 1 calc R . P B 2
H37J H 0.476627 0.931785 0.373618 0.184 Uiso 0.630(3) 1 calc R . P B 2
C38A C 0.6818(4) 1.1048(7) 0.4520(2) 0.299(4) Uani 0.612(6) 1 d D . P C 2
H38A H 0.675904 1.072274 0.459785 0.358 Uiso 0.612(6) 1 calc R . P C 2
H38B H 0.694331 1.081380 0.456054 0.358 Uiso 0.612(6) 1 calc R . P C 2
C38C C 0.5464(2) 0.9757(5) 0.2847(4) 0.195(4) Uani 0.312(5) 1 d D . P D 2
H38C H 0.551828 0.979057 0.271684 0.234 Uiso 0.312(5) 1 calc R . P D 2
H38D H 0.533758 1.006686 0.273709 0.234 Uiso 0.312(5) 1 calc R . P D 2
C38G C 0.7306(4) 0.6058(10) 0.8395(3) 0.236(7) Uani 0.450(6) 1 d D U P I 2
H38E H 0.719958 0.571934 0.835725 0.353 Uiso 0.450(6) 1 calc GR . P I 2
H38F H 0.735659 0.634530 0.859131 0.353 Uiso 0.450(6) 1 calc GR . P I 2
H38G H 0.742436 0.579866 0.842990 0.353 Uiso 0.450(6) 1 calc GR . P I 2
C38J C 0.59596(19) 0.3502(7) 0.3703(3) 0.274(4) Uani 0.367(6) 1 d D U P H 2
H38H H 0.607157 0.317359 0.386998 0.329 Uiso 0.367(6) 1 calc R . P H 2
H38I H 0.588588 0.369093 0.378935 0.329 Uiso 0.367(6) 1 calc R . P H 2
C38L C 0.49351(17) 0.8356(5) 0.38583(19) 0.128(3) Uani 0.630(3) 1 d D U P B 2
H38J H 0.480740 0.812231 0.366513 0.154 Uiso 0.630(3) 1 calc R . P B 2
H38K H 0.505674 0.820910 0.386435 0.154 Uiso 0.630(3) 1 calc R . P B 2
C39A C 0.6889(4) 1.1744(7) 0.4723(3) 0.313(5) Uani 0.612(6) 1 d D . P C 2
H39A H 0.676588 1.194415 0.470083 0.375 Uiso 0.612(6) 1 calc R . P C 2
H39B H 0.692915 1.208854 0.462299 0.375 Uiso 0.612(6) 1 calc R . P C 2
C39C C 0.56297(18) 1.0069(8) 0.3185(3) 0.230(5) Uani 0.312(5) 1 d D . P D 2
H39C H 0.570848 0.967475 0.334395 0.277 Uiso 0.312(5) 1 calc R . P D 2
H39D H 0.555766 1.033690 0.325848 0.277 Uiso 0.312(5) 1 calc R . P D 2
C39J C 0.58020(19) 0.3096(7) 0.3380(3) 0.299(5) Uani 0.367(6) 1 d D U P H 2
H39E H 0.587945 0.282849 0.331657 0.359 Uiso 0.367(6) 1 calc R . P H 2
H39F H 0.570669 0.343738 0.320042 0.359 Uiso 0.367(6) 1 calc R . P H 2
C39L C 0.49706(15) 0.8096(4) 0.41710(18) 0.109(3) Uani 0.630(3) 1 d D U P B 2
H39G H 0.486162 0.830752 0.418320 0.131 Uiso 0.630(3) 1 calc R . P B 2
H39H H 0.511016 0.826578 0.436537 0.131 Uiso 0.630(3) 1 calc R . P B 2
C40A C 0.7076(4) 1.1677(14) 0.5098(3) 0.347(11) Uani 0.612(6) 1 d D . P C 2
H40A H 0.710152 1.117430 0.516142 0.521 Uiso 0.612(6) 1 calc GR . P C 2
H40B H 0.704064 1.192794 0.522789 0.521 Uiso 0.612(6) 1 calc GR . P C 2
H40C H 0.720318 1.188648 0.514181 0.521 Uiso 0.612(6) 1 calc GR . P C 2
C40C C 0.579180 1.057510 0.320061 0.283(9) Uani 0.312(5) 1 d D . P D 2
H40D H 0.586469 1.031578 0.312954 0.425 Uiso 0.312(5) 1 calc DGR . P D 2
H40E H 0.589543 1.074369 0.342817 0.425 Uiso 0.312(5) 1 calc GR . P D 2
H40F H 0.571659 1.098209 0.305365 0.425 Uiso 0.312(5) 1 calc DGR . P D 2
C40J C 0.5670(2) 0.2577(9) 0.3423(4) 0.350(11) Uani 0.367(6) 1 d D U P H 2
H40G H 0.568390 0.209538 0.336476 0.525 Uiso 0.367(6) 1 calc GR . P H 2
H40H H 0.552153 0.272082 0.327810 0.525 Uiso 0.367(6) 1 calc GR . P H 2
H40I H 0.572194 0.258462 0.365408 0.525 Uiso 0.367(6) 1 calc GR . P H 2
C40L C 0.49624(10) 0.7291(4) 0.41899(15) 0.098(2) Uani 0.630(3) 1 d D U P B 2
C41L C 0.49877(13) 0.7041(6) 0.44965(16) 0.100(2) Uani 0.630(3) 1 d D U P B 2
H41A H 0.487131 0.724800 0.449089 0.120 Uiso 0.630(3) 1 calc R . P B 2
H41B H 0.496947 0.651869 0.448190 0.120 Uiso 0.630(3) 1 calc R . P B 2
C42L C 0.51947(14) 0.7216(7) 0.48301(16) 0.106(2) Uani 0.630(3) 1 d D U P B 2
H42A H 0.520805 0.773745 0.486168 0.127 Uiso 0.630(3) 1 calc R . P B 2
H42B H 0.531417 0.704592 0.483492 0.127 Uiso 0.630(3) 1 calc R . P B 2
C43L C 0.52051(14) 0.6870(7) 0.51101(16) 0.109(3) Uani 0.630(3) 1 d D U P B 2
H43A H 0.518007 0.635388 0.506733 0.131 Uiso 0.630(3) 1 calc R . P B 2
H43B H 0.509093 0.706675 0.511299 0.131 Uiso 0.630(3) 1 calc R . P B 2
C44L C 0.54161(15) 0.6986(7) 0.54477(17) 0.123(3) Uani 0.630(3) 1 d D U P B 2
H44A H 0.552919 0.679280 0.544134 0.148 Uiso 0.630(3) 1 calc R . P B 2
H44B H 0.544021 0.750369 0.548702 0.148 Uiso 0.630(3) 1 calc R . P B 2
C45L C 0.54377(17) 0.6657(8) 0.57371(18) 0.138(3) Uani 0.630(3) 1 d D U P B 2
H45A H 0.543141 0.613473 0.571072 0.166 Uiso 0.630(3) 1 calc R . P B 2
H45B H 0.531360 0.680099 0.572506 0.166 Uiso 0.630(3) 1 calc R . P B 2
C46L C 0.56352(18) 0.6837(9) 0.6080(2) 0.143(5) Uani 0.630(3) 1 d D U P B 2
H46C H 0.574067 0.704725 0.606266 0.214 Uiso 0.630(3) 1 calc GR . P B 2
H46D H 0.569280 0.640384 0.621408 0.214 Uiso 0.630(3) 1 calc GR . P B 2
H46E H 0.559991 0.717765 0.618581 0.214 Uiso 0.630(3) 1 calc GR . P B 2
Cu1 Cu 0.61699(2) 0.71367(8) 0.42653(2) 0.1103(4) Uani 1 1 d . . . . .
Cu2 Cu 0.64369(2) 0.73759(6) 0.55188(2) 0.0924(4) Uani 1 1 d . . . . .
Cu3 Cu 0.60227(2) 0.51201(7) 0.48811(2) 0.1041(4) Uani 1 1 d . . . . .
Cu6 Cu 0.65263(2) 0.55876(7) 0.53376(3) 0.1175(5) Uani 1 1 d . . . . .
Cu4 Cu 0.62868(2) 0.53413(6) 0.61353(3) 0.1082(5) Uani 1 1 d . . . . .
Cu5 Cu 0.58853(2) 0.68691(7) 0.50057(2) 0.1013(4) Uani 1 1 d . . . . .


_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 Au2 3.0862(6) . ?
Au1 C1B 1.979(8) . ?
Au1 C27A 2.021(8) . ?
Au1 Cu1 3.1554(13) . ?
Au1 Cu2 3.1605(11) . ?
Au2 Au3 3.0439(5) . ?
Au2 Au5 3.3483(5) . ?
Au2 C1K 2.068(7) . ?
Au2 C1L 2.041(6) . ?
Au2 Cu1 3.0685(14) . ?
Au2 Cu2 3.1068(10) . ?
Au2 Cu3 3.0891(14) . ?
Au2 Cu6 3.0228(12) . ?
Au2 Cu5 2.9577(13) . ?
Au3 C1C 1.963(8) . ?
Au3 C1D 2.002(9) . ?
Au3 Cu3 2.9902(14) . ?
Au4 Au5 3.0704(6) . ?
Au4 C1G 1.954(9) . ?
Au4 C1H 1.960(8) . ?
Au4 Cu4 3.1750(11) . ?
Au4 Cu5 3.1520(12) . ?
Au5 Au6 3.0467(5) . ?
Au5 C1E 2.029(6) . ?
Au5 C1F 2.027(6) . ?
Au5 Cu2 2.9981(12) . ?
Au5 Cu3 3.0847(11) . ?
Au5 Cu6 2.9438(16) . ?
Au5 Cu4 3.1849(15) . ?
Au5 Cu5 3.0012(10) . ?
Au6 C1I 1.948(7) . ?
Au6 C1J 2.020(11) . ?
Au6 Cu6 3.0348(15) . ?
C1A C2A 1.396(13) . ?
C1A C6A 1.400(9) . ?
C1A C19A 1.559(15) . ?
C1A C34A 1.537(13) . ?
C1B C2B 1.227(10) . ?
C1B Cu2 2.025(8) . ?
C1C C2C 1.229(12) . ?
C1C Cu1 2.031(8) . ?
C1D C2D 1.241(12) . ?
C1D Cu3 1.969(8) . ?
C1E C2E 1.177(8) . ?
C1E Cu2 1.985(7) . ?
C1F C2F 1.199(9) . ?
C1F Cu3 2.008(9) . ?
C1G C2G 1.197(12) . ?
C1G Cu4 1.999(9) . ?
C1H C2H 1.208(10) . ?
C1H Cu5 2.016(8) . ?
C1I C2I 1.205(9) . ?
C1I Cu4 2.060(8) . ?
C1J C2J 1.215(15) . ?
C1J Cu6 1.995(8) . ?
C1K C2K 1.164(9) . ?
C1K Cu6 1.991(9) . ?
C1L C2L 1.190(9) . ?
C1L Cu5 2.025(8) . ?
C2A C3A 1.380(10) . ?
C2B C5B 1.419(10) . ?
C2B Cu2 2.216(8) . ?
C2C C5C 1.439(12) . ?
C2C Cu1 2.096(9) . ?
C2D C5D 1.428(12) . ?
C2D Cu3 2.193(8) . ?
C2E C5E 1.455(8) . ?
C2E Cu2 2.239(6) . ?
C2F C5F 1.447(9) . ?
C2F Cu3 2.200(10) . ?
C2G C5G 1.487(12) . ?
C2G Cu4 2.261(10) . ?
C2H C3H 1.486(10) . ?
C2H Cu5 2.130(8) . ?
C2I C5I 1.461(9) . ?
C2I Cu4 2.088(7) . ?
C2J C5J 1.426(16) . ?
C2J Cu6 2.179(10) . ?
C2K C5K 1.404(8) . ?
C2K Cu6 2.272(9) . ?
C2L C5L 1.413(8) . ?
C2L Cu5 2.255(6) . ?
C3A C4A 1.365(11) . ?
C3B C4B 1.370(9) . ?
C3B C8B 1.394(8) . ?
C3B C15B 1.528(10) . ?
C3C C4C 1.401(12) . ?
C3C C8C 1.382(12) . ?
C3C C21C 1.523(9) . ?
C3C C34C 1.573(12) . ?
C3D C4D 1.376(11) . ?
C3D C8D 1.376(9) . ?
C3D C27D 1.523(12) . ?
C3E C4E 1.359(8) . ?
C3E C8E 1.403(9) . ?
C3E C21E 1.531(10) . ?
C3F C4F 1.366(9) . ?
C3F C8F 1.382(11) . ?
C3F C21F 1.555(12) . ?
C3G C4G 1.338(12) . ?
C3G C8G 1.405(11) . ?
C3G C21G 1.530(12) . ?
C3H C4H 1.416(12) . ?
C3H C8H 1.373(12) . ?
C3I C4I 1.365(12) . ?
C3I C8I 1.389(11) . ?
C3I C21I 1.570(11) . ?
C3J C4J 1.404(16) . ?
C3J C8J 1.380(13) . ?
C3J C21J 1.500(18) . ?
C3J C34J 1.56(2) . ?
C3K C4K 1.376(8) . ?
C3K C8K 1.406(10) . ?
C3K C21K 1.535(11) . ?
C3L C4L 1.379(8) . ?
C3L C8L 1.378(10) . ?
C3L C27L 1.686(15) . ?
C3L C40L 1.521(10) . ?
C4A C5A 1.395(13) . ?
C4B C5B 1.400(10) . ?
C4C C5C 1.394(8) . ?
C4D C5D 1.380(11) . ?
C4E C5E 1.414(10) . ?
C4F C5F 1.401(11) . ?
C4G C5G 1.414(11) . ?
C4H C5H 1.364(11) . ?
C4I C5I 1.417(10) . ?
C4J C5J 1.395(13) . ?
C4K C5K 1.383(10) . ?
C4L C5L 1.397(11) . ?
C5A C6A 1.367(8) . ?
C5B C6B 1.417(10) . ?
C5C C6C 1.383(12) . ?
C5D C6D 1.362(10) . ?
C5E C6E 1.382(9) . ?
C5F C6F 1.367(10) . ?
C5FB C28D 1.508(14) . ?
C5FB C29D 1.562(14) . ?
C5G C6G 1.370(11) . ?
C5H C6H 1.370(15) . ?
C5I C6I 1.371(11) . ?
C5J C6J 1.382(13) . ?
C5K C6K 1.387(10) . ?
C5L C6L 1.396(9) . ?
C6A C7A 1.469(12) . ?
C6B C7B 1.358(10) . ?
C6C C7C 1.371(12) . ?
C6D C7D 1.395(13) . ?
C6E C7E 1.369(9) . ?
C6F C7F 1.371(8) . ?
C6G C7G 1.380(12) . ?
C6H C7H 1.408(13) . ?
C6H C9H 1.461(13) . ?
C6I C7I 1.374(13) . ?
C6J C7J 1.400(17) . ?
C6K C7K 1.366(8) . ?
C6L C7L 1.371(9) . ?
C7A C8A 1.398(11) . ?
C7A C12A 1.384(8) . ?
C7B C8B 1.381(11) . ?
C7C C8C 1.387(8) . ?
C7D C8D 1.384(12) . ?
C7E C8E 1.365(11) . ?
C7F C8F 1.391(11) . ?
C7G C8G 1.378(11) . ?
C7H C8H 1.372(11) . ?
C7H C21H 1.493(14) . ?
C7I C8I 1.411(10) . ?
C7J C8J 1.388(14) . ?
C7K C8K 1.376(10) . ?
C7L C8L 1.370(12) . ?
C8A C9A 1.378(11) . ?
C8B C9B 1.452(11) . ?
C8C C9C 1.474(11) . ?
C8D C9D 1.461(12) . ?
C8E C9E 1.497(9) . ?
C8F C9F 1.484(9) . ?
C8G C9G 1.443(12) . ?
C8I C9I 1.437(12) . ?
C8J C9J 1.462(18) . ?
C8K C9K 1.468(8) . ?
C8L C9L 1.556(11) . ?
C8L C15L 1.435(8) . ?
C9A C10A 1.400(7) . ?
C9B C10B 1.389(10) . ?
C9B C14B 1.404(11) . ?
C9C C10C 1.379(14) . ?
C9C C14C 1.406(9) . ?
C9D C10D 1.402(10) . ?
C9D C14D 1.394(11) . ?
C9E C10E 1.370(10) . ?
C9E C14E 1.395(11) . ?
C9F C10F 1.378(12) . ?
C9F C14F 1.380(14) . ?
C9G C10G 1.398(14) . ?
C9G C14G 1.400(13) . ?
C9H C10H 1.386(13) . ?
C9H C14H 1.381(17) . ?
C9I C10I 1.377(12) . ?
C9I C14I 1.405(10) . ?
C9J C10J 1.394(17) . ?
C9J C14J 1.428(14) . ?
C9K C10K 1.376(10) . ?
C9K C14K 1.389(12) . ?
C9L C14L 1.3900 . ?
C9L C10L 1.3900 . ?
C14L C13L 1.3900 . ?
C14L C27L 1.542(12) . ?
C13L C12L 1.3900 . ?
C12L C11L 1.3900 . ?
C11L C10L 1.3900 . ?
C10A C11A 1.376(10) . ?
C10A C26A 1.428(11) . ?
C10B C11B 1.366(13) . ?
C10C C11C 1.380(12) . ?
C10D C11D 1.381(14) . ?
C10E C11E 1.372(12) . ?
C10F C11F 1.377(12) . ?
C10G C11G 1.384(15) . ?
C10H C11H 1.371(18) . ?
C10I C11I 1.368(14) . ?
C10J C11J 1.37(2) . ?
C10K C11K 1.378(9) . ?
C11A C12A 1.371(11) . ?
C11B C12B 1.361(13) . ?
C11C C12C 1.367(12) . ?
C11D C12D 1.391(13) . ?
C11E C12E 1.369(14) . ?
C11F C12F 1.350(19) . ?
C11G C12G 1.317(19) . ?
C11H C12H 1.33(2) . ?
C11I C12I 1.399(13) . ?
C11J C12J 1.405(19) . ?
C11K C12K 1.361(14) . ?
C12A C19A 1.550(17) . ?
C12A C34A 1.552(16) . ?
C12B C13B 1.371(10) . ?
C12C C13C 1.372(16) . ?
C12D C13D 1.406(12) . ?
C12E C13E 1.389(11) . ?
C12F C13F 1.372(15) . ?
C12G C13G 1.404(19) . ?
C12H C13H 1.374(16) . ?
C12I C13I 1.380(12) . ?
C12J C13J 1.36(2) . ?
C12K C13K 1.369(12) . ?
C13A C14A 1.543(15) . ?
C13B C14B 1.368(12) . ?
C13C C14C 1.386(11) . ?
C13D C14D 1.342(13) . ?
C13E C14E 1.382(11) . ?
C13F C14F 1.405(11) . ?
C13G C14G 1.385(13) . ?
C13H C14H 1.405(16) . ?
C13I C14I 1.393(12) . ?
C13J C14J 1.404(18) . ?
C13K C14K 1.407(9) . ?
C14A C15A 1.539(14) . ?
C14B C15B 1.530(9) . ?
C14C C21C 1.443(15) . ?
C14C C34C 1.66(2) . ?
C14D C27D 1.594(12) . ?
C14E C21E 1.534(9) . ?
C14F C21F 1.483(11) . ?
C14G C21G 1.523(14) . ?
C14H C21H 1.558(12) . ?
C14I C21I 1.521(12) . ?
C14J C21J 1.558(19) . ?
C14J C34J 1.67(2) . ?
C14K C21K 1.520(10) . ?
C15A C16A 1.530(12) . ?
C15B C21B 1.543(9) . ?
C15B C22B 1.554(8) . ?
C15C C16C 1.535(14) . ?
C15D C16D 1.515(12) . ?
C15E C16E 1.503(10) . ?
C15F C16F 1.534(15) . ?
C15G C16G 1.536(14) . ?
C15H C16H 1.491(12) . ?
C15I C16I 1.503(13) . ?
C15J C16J 1.547(13) . ?
C15K C16K 1.38(2) . ?
C15L C20L 1.3900 . ?
C15L C16L 1.3900 . ?
C20L C19L 1.3900 . ?
C20L C40L 1.522(8) . ?
C19L C18L 1.3900 . ?
C18L C17L 1.3900 . ?
C17L C16L 1.3900 . ?
C16A C17A 1.542(13) . ?
C16B C17B 1.540(10) . ?
C16C C17C 1.529(12) . ?
C16D C17D 1.486(14) . ?
C16E C17E 1.517(11) . ?
C16F C17F 1.534(12) . ?
C16G C17G 1.562(14) . ?
C16H C17H 1.496(14) . ?
C16I C17I 1.522(13) . ?
C16J C17J 1.536(14) . ?
C16K C17K 1.562(18) . ?
C17A C18A 1.521(12) . ?
C17B C18B 1.523(10) . ?
C17C C18C 1.506(13) . ?
C17D C18D 1.517(11) . ?
C17E C18E 1.533(13) . ?
C17F C18F 1.501(13) . ?
C17G C18G 1.522(14) . ?
C17H C18H 1.515(11) . ?
C17I C18I 1.535(11) . ?
C17J C18J 1.548(12) . ?
C17K C18K 1.398(18) . ?
C18A C19A 1.548(13) . ?
C18B C19B 1.505(10) . ?
C18C C19C 1.547(11) . ?
C18D C19D 1.529(13) . ?
C18E C19E 1.556(13) . ?
C18F C19F 1.533(13) . ?
C18F C30F 1.529(14) . ?
C18G C19G 1.553(15) . ?
C18H C19H 1.531(13) . ?
C18I C19I 1.574(10) . ?
C18J C19J 1.548(12) . ?
C18K C19K 1.543(15) . ?
C19A C20A 1.542(13) . ?
C19B C20B 1.506(10) . ?
C19C C20C 1.517(12) . ?
C19D C20D 1.503(10) . ?
C19E C20E 1.499(16) . ?
C19F C20F 1.468(18) . ?
C19G C20G 1.510(12) . ?
C19H C20H 1.517(10) . ?
C19I C20I 1.482(10) . ?
C19J C20J 1.519(12) . ?
C19K C20K 1.434(16) . ?
C20A C21A 1.504(13) . ?
C20B C21B 1.519(9) . ?
C20C C21C 1.543(11) . ?
C20D C27D 1.529(14) . ?
C20E C21E 1.509(12) . ?
C20F C21F 1.549(15) . ?
C20G C21G 1.564(11) . ?
C20G C32G 1.506(13) . ?
C20H C21H 1.529(14) . ?
C20I C21I 1.516(9) . ?
C20I C32I 1.523(12) . ?
C20J C21J 1.541(11) . ?
C20K C21K 1.523(15) . ?
C21A C22A 1.560(13) . ?
C21C C22C 1.545(11) . ?
C21D C22D 1.483(15) . ?
C21D C27D 1.546(10) . ?
C21E C22E 1.532(14) . ?
C21F C22F 1.519(15) . ?
C21G C22G 1.533(10) . ?
C21G C33G 1.540(12) . ?
C21H C22H 1.534(10) . ?
C21H C28H 1.556(11) . ?
C21I C22I 1.588(11) . ?
C21J C22J 1.547(11) . ?
C21K C22K 1.495(14) . ?
C21L C22L 1.534(14) . ?
C22A C25A 1.563(16) . ?
C22B C23B 1.504(10) . ?
C22C C23C 1.525(11) . ?
C22D C23D 1.558(9) . ?
C22D C28D 1.532(13) . ?
C22E C23E 1.491(13) . ?
C22F C23F 1.457(14) . ?
C22G C23G 1.527(12) . ?
C22H C23H 1.521(15) . ?
C22I C23I 1.457(15) . ?
C22J C23J 1.542(12) . ?
C22K C23K 1.431(15) . ?
C22L C23L 1.526(14) . ?
C23A C24A 1.549(15) . ?
C23A C25A 1.526(14) . ?
C23B C24B 1.502(8) . ?
C23C C24C 1.543(12) . ?
C23D C24D 1.546(14) . ?
C23E C24E 1.472(15) . ?
C23F C24F 1.546(12) . ?
C23F C31F 1.540(13) . ?
C23G C24G 1.539(12) . ?
C23H C24H 1.542(11) . ?
C23I C24I 1.567(10) . ?
C23I C33I 1.546(11) . ?
C23J C24J 1.576(11) . ?
C23K C24K 1.539(14) . ?
C23K C28K 1.580(12) . ?
C23L C24L 1.533(10) . ?
C24B C25B 1.499(11) . ?
C24B C28B 1.501(13) . ?
C24C C25C 1.549(11) . ?
C24D C25D 1.550(14) . ?
C24E C25E 1.482(12) . ?
C24F C25F 1.549(12) . ?
C24G C25G 1.534(13) . ?
C24H C25H 1.546(15) . ?
C24I C25I 1.528(15) . ?
C24J C25J 1.542(14) . ?
C24K C25K 1.512(13) . ?
C24L C25L 1.547(10) . ?
C25B C26B 1.539(11) . ?
C25C C26C 1.536(14) . ?
C25D C26D 1.540(13) . ?
C25E C26E 1.575(13) . ?
C25E C28E 1.559(14) . ?
C25F C26F 1.548(13) . ?
C25G C26G 1.529(13) . ?
C25H C26H 1.545(14) . ?
C25I C26I 1.548(15) . ?
C25J C46J 1.534(12) . ?
C25K C26K 1.531(14) . ?
C25L C26L 1.520(11) . ?
C26A C27A 1.176(11) . ?
C26A Cu1 2.338(10) . ?
C26B C27B 1.548(15) . ?
C26C C27C 1.533(13) . ?
C26E C27E 1.545(13) . ?
C26F C27F 1.541(13) . ?
C26G C27G 1.548(15) . ?
C26H C27H 1.530(16) . ?
C26I C27I 1.548(16) . ?
C46J C27J 1.540(13) . ?
C26K C27K 1.524(16) . ?
C26L C27L 1.544(12) . ?
C27A Cu1 1.947(10) . ?
C27L C28L 1.545(12) . ?
C28A C29A 1.546(15) . ?
C28B C29B 1.531(11) . ?
C28C C29C 1.549(15) . ?
C28E C29E 1.538(14) . ?
C28F C29F 1.550(15) . ?
C28G C29G 1.547(14) . ?
C28H C29H 1.529(14) . ?
C28I C29I 1.532(14) . ?
C28J C29J 1.534(14) . ?
C28K C29K 1.513(14) . ?
C28L C29L 1.514(13) . ?
C29A C30A 1.551(12) . ?
C29B C30B 1.505(14) . ?
C29C C30C 1.553(14) . ?
C29D C30D 1.530(16) . ?
C29F C30F 1.542(14) . ?
C29G C30G 1.550(14) . ?
C29H C30H 1.549(11) . ?
C29I C30I 1.520(15) . ?
C29J C30J 1.531(16) . ?
C29K C30K 1.546(14) . ?
C29L C30L 1.515(11) . ?
C30A C31A 1.519(13) . ?
C30C C31C 1.536(16) . ?
C30G C31G 1.523(14) . ?
C30H C31H 1.528(13) . ?
C30I C31I 1.543(13) . ?
C30J C31J 1.545(13) . ?
C30K C31K 1.491(13) . ?
C30L C31L 1.517(14) . ?
C31A C32A 1.538(11) . ?
C31C C32C 1.540(13) . ?
C31F C32F 1.551(14) . ?
C31G C32G 1.542(13) . ?
C31H C32H 1.520(12) . ?
C31I C32I 1.561(13) . ?
C31J C32J 1.551(13) . ?
C31L C32L 1.547(13) . ?
C32A C33A 1.510(12) . ?
C32C C33C 1.536(15) . ?
C32F C33F 1.541(15) . ?
C32H C33H 1.538(13) . ?
C32J C33J 1.524(15) . ?
C32L C33L 1.519(14) . ?
C33A C34A 1.505(14) . ?
C33C C34C 1.538(12) . ?
C33F C34F 1.538(16) . ?
C33G C34G 1.532(13) . ?
C33I C34I 1.571(14) . ?
C33J C34J 1.551(14) . ?
C34A C35A 1.550(12) . ?
C34C C35C 1.546(15) . ?
C34G C35G 1.546(13) . ?
C34I C35I 1.572(11) . ?
C34J C35J 1.540(13) . ?
C34L C35L 1.554(14) . ?
C35A C36A 1.527(13) . ?
C35C C36C 1.528(12) . ?
C35G C36G 1.530(14) . ?
C35I C36I 1.558(14) . ?
C35J C36J 1.534(14) . ?
C35L C36L 1.519(13) . ?
C36A C37A 1.554(13) . ?
C36C C37C 1.544(15) . ?
C36G C37G 1.521(13) . ?
C36J C37J 1.565(13) . ?
C36L C37L 1.576(14) . ?
C37A C38A 1.549(12) . ?
C37C C38C 1.530(13) . ?
C37G C38G 1.565(15) . ?
C37J C38J 1.541(16) . ?
C37L C38L 1.544(11) . ?
C38A C39A 1.547(14) . ?
C38C C39C 1.512(14) . ?
C38J C39J 1.532(13) . ?
C38L C39L 1.517(12) . ?
C39A C40A 1.558(14) . ?
C39C C40C 1.568(14) . ?
C39J C40J 1.544(17) . ?
C39L C40L 1.522(10) . ?
C40L C41L 1.519(11) . ?
C41L C42L 1.519(9) . ?
C42L C43L 1.520(12) . ?
C43L C44L 1.521(9) . ?
C44L C45L 1.506(13) . ?
C45L C46L 1.517(11) . ?

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
Au2 Au1 Cu1 58.88(3) . . ?
Au2 Au1 Cu2 59.64(2) . . ?
C1B Au1 Au2 92.4(2) . . ?
C1B Au1 C27A 171.7(4) . . ?
C1B Au1 Cu1 151.0(2) . . ?
C1B Au1 Cu2 38.4(2) . . ?
C27A Au1 Au2 95.4(3) . . ?
C27A Au1 Cu1 36.5(3) . . ?
C27A Au1 Cu2 149.8(3) . . ?
Cu1 Au1 Cu2 116.53(4) . . ?
Au1 Au2 Au5 115.972(13) . . ?
Au1 Au2 Cu2 61.37(2) . . ?
Au1 Au2 Cu3 172.00(3) . . ?
Au3 Au2 Au1 129.400(17) . . ?
Au3 Au2 Au5 113.352(15) . . ?
Au3 Au2 Cu1 67.93(3) . . ?
Au3 Au2 Cu2 158.68(2) . . ?
Au3 Au2 Cu3 58.36(3) . . ?
C1K Au2 Au1 76.8(2) . . ?
C1K Au2 Au3 97.7(2) . . ?
C1K Au2 Au5 84.3(3) . . ?
C1K Au2 Cu1 88.1(3) . . ?
C1K Au2 Cu2 65.0(3) . . ?
C1K Au2 Cu3 105.2(2) . . ?
C1K Au2 Cu6 40.9(2) . . ?
C1K Au2 Cu5 134.4(3) . . ?
C1L Au2 Au1 103.6(2) . . ?
C1L Au2 Au3 83.9(2) . . ?
C1L Au2 Au5 93.4(2) . . ?
C1L Au2 C1K 177.5(3) . . ?
C1L Au2 Cu1 94.3(2) . . ?
C1L Au2 Cu2 113.0(2) . . ?
C1L Au2 Cu3 74.1(2) . . ?
C1L Au2 Cu6 137.8(2) . . ?
C1L Au2 Cu5 43.1(2) . . ?
Cu1 Au2 Au1 61.68(3) . . ?
Cu1 Au2 Au5 172.38(2) . . ?
Cu1 Au2 Cu2 120.89(3) . . ?
Cu1 Au2 Cu3 125.76(4) . . ?
Cu2 Au2 Au5 55.20(2) . . ?
Cu3 Au2 Au5 57.09(2) . . ?
Cu3 Au2 Cu2 112.16(3) . . ?
Cu6 Au2 Au1 114.73(3) . . ?
Cu6 Au2 Au3 85.16(3) . . ?
Cu6 Au2 Au5 54.75(3) . . ?
Cu6 Au2 Cu1 118.75(4) . . ?
Cu6 Au2 Cu2 73.60(3) . . ?
Cu6 Au2 Cu3 65.54(3) . . ?
Cu5 Au2 Au1 98.87(3) . . ?
Cu5 Au2 Au3 117.43(2) . . ?
Cu5 Au2 Au5 56.43(2) . . ?
Cu5 Au2 Cu1 130.31(3) . . ?
Cu5 Au2 Cu2 73.23(3) . . ?
Cu5 Au2 Cu3 74.09(4) . . ?
Cu5 Au2 Cu6 110.93(4) . . ?
C1C Au3 Au2 87.8(2) . . ?
C1C Au3 C1D 172.1(3) . . ?
C1C Au3 Cu3 146.7(2) . . ?
C1D Au3 Au2 100.1(2) . . ?
C1D Au3 Cu3 40.7(2) . . ?
Cu3 Au3 Au2 61.58(3) . . ?
Au5 Au4 Cu4 61.30(3) . . ?
Au5 Au4 Cu5 57.66(2) . . ?
C1G Au4 Au5 98.3(3) . . ?
C1G Au4 C1H 171.1(4) . . ?
C1G Au4 Cu4 37.1(3) . . ?
C1G Au4 Cu5 150.5(3) . . ?
C1H Au4 Au5 90.2(2) . . ?
C1H Au4 Cu4 151.0(2) . . ?
C1H Au4 Cu5 38.2(2) . . ?
Cu5 Au4 Cu4 117.19(4) . . ?
Au4 Au5 Au2 116.950(13) . . ?
Au4 Au5 Cu3 114.14(2) . . ?
Au4 Au5 Cu4 60.97(3) . . ?
Au6 Au5 Au2 116.184(17) . . ?
Au6 Au5 Au4 125.887(18) . . ?
Au6 Au5 Cu3 86.63(2) . . ?
Au6 Au5 Cu4 65.16(3) . . ?
C1E Au5 Au2 92.6(2) . . ?
C1E Au5 Au4 102.7(2) . . ?
C1E Au5 Au6 84.35(19) . . ?
C1E Au5 Cu2 41.11(19) . . ?
C1E Au5 Cu3 139.9(2) . . ?
C1E Au5 Cu6 75.0(2) . . ?
C1E Au5 Cu4 92.9(2) . . ?
C1E Au5 Cu5 112.77(19) . . ?
C1F Au5 Au2 84.5(2) . . ?
C1F Au5 Au4 76.1(3) . . ?
C1F Au5 Au6 99.6(2) . . ?
C1F Au5 C1E 175.9(3) . . ?
C1F Au5 Cu2 134.9(2) . . ?
C1F Au5 Cu3 39.9(3) . . ?
C1F Au5 Cu6 105.8(3) . . ?
C1F Au5 Cu4 89.9(2) . . ?
C1F Au5 Cu5 63.2(2) . . ?
Cu2 Au5 Au2 58.31(2) . . ?
Cu2 Au5 Au4 97.47(3) . . ?
Cu2 Au5 Au6 118.57(2) . . ?
Cu2 Au5 Cu3 115.39(3) . . ?
Cu2 Au5 Cu4 126.40(3) . . ?
Cu2 Au5 Cu5 74.21(3) . . ?
Cu3 Au5 Au2 57.22(3) . . ?
Cu3 Au5 Cu4 118.20(3) . . ?
Cu6 Au5 Au2 56.99(3) . . ?
Cu6 Au5 Au4 172.95(3) . . ?
Cu6 Au5 Au6 60.85(3) . . ?
Cu6 Au5 Cu2 76.34(4) . . ?
Cu6 Au5 Cu3 66.52(3) . . ?
Cu6 Au5 Cu4 125.43(3) . . ?
Cu6 Au5 Cu5 111.93(4) . . ?
Cu4 Au5 Au2 174.42(2) . . ?
Cu5 Au5 Au2 55.20(3) . . ?
Cu5 Au5 Au4 62.54(3) . . ?
Cu5 Au5 Au6 159.94(3) . . ?
Cu5 Au5 Cu3 73.55(3) . . ?
Cu5 Au5 Cu4 121.58(4) . . ?
C1I Au6 Au5 92.8(2) . . ?
C1I Au6 C1J 171.6(3) . . ?
C1I Au6 Cu6 147.3(3) . . ?
C1J Au6 Au5 95.5(2) . . ?
C1J Au6 Cu6 40.6(2) . . ?
Cu6 Au6 Au5 57.90(3) . . ?
C2A C1A C6A 119.1(6) . . ?
C2A C1A C19A 128.9(7) . . ?
C2A C1A C34A 129.2(7) . . ?
C6A C1A C19A 111.8(9) . . ?
C6A C1A C34A 111.7(8) . . ?
Au1 C1B Cu2 104.2(4) . . ?
C2B C1B Au1 173.5(7) . . ?
C2B C1B Cu2 82.0(5) . . ?
Au3 C1C Cu1 117.5(4) . . ?
C2C C1C Au3 166.4(7) . . ?
C2C C1C Cu1 75.6(6) . . ?
C2D C1D Au3 179.1(7) . . ?
C2D C1D Cu3 82.8(6) . . ?
Cu3 C1D Au3 97.7(4) . . ?
C2E C1E Au5 177.0(7) . . ?
C2E C1E Cu2 86.2(5) . . ?
Cu2 C1E Au5 96.7(2) . . ?
C2F C1F Au5 176.5(7) . . ?
C2F C1F Cu3 82.5(6) . . ?
Cu3 C1F Au5 99.7(4) . . ?
Au4 C1G Cu4 106.8(5) . . ?
C2G C1G Au4 166.8(8) . . ?
C2G C1G Cu4 86.2(6) . . ?
Au4 C1H Cu5 104.9(4) . . ?
C2H C1H Au4 175.0(6) . . ?
C2H C1H Cu5 78.3(6) . . ?
Au6 C1I Cu4 113.8(3) . . ?
C2I C1I Au6 171.6(7) . . ?
C2I C1I Cu4 74.4(5) . . ?
C2J C1J Au6 177.1(6) . . ?
C2J C1J Cu6 81.6(6) . . ?
Cu6 C1J Au6 98.2(4) . . ?
C2K C1K Au2 170.3(9) . . ?
C2K C1K Cu6 88.1(6) . . ?
Cu6 C1K Au2 96.2(4) . . ?
C2L C1L Au2 175.6(7) . . ?
C2L C1L Cu5 84.9(6) . . ?
Cu5 C1L Au2 93.3(2) . . ?
C3A C2A C1A 119.4(7) . . ?
C1B C2B C5B 175.5(8) . . ?
C1B C2B Cu2 64.8(5) . . ?
C5B C2B Cu2 119.7(5) . . ?
C1C C2C C5C 165.9(9) . . ?
C1C C2C Cu1 69.8(5) . . ?
C5C C2C Cu1 124.2(7) . . ?
C1D C2D C5D 173.0(7) . . ?
C1D C2D Cu3 63.0(5) . . ?
C5D C2D Cu3 122.7(6) . . ?
C1E C2E C5E 173.5(8) . . ?
C1E C2E Cu2 62.2(4) . . ?
C5E C2E Cu2 122.6(5) . . ?
C1F C2F C5F 170.5(10) . . ?
C1F C2F Cu3 64.8(6) . . ?
C5F C2F Cu3 122.8(6) . . ?
C1G C2G C5G 167.8(9) . . ?
C1G C2G Cu4 61.9(6) . . ?
C5G C2G Cu4 127.9(5) . . ?
C1H C2H C3H 168.7(10) . . ?
C1H C2H Cu5 67.9(5) . . ?
C3H C2H Cu5 122.4(6) . . ?
C1I C2I C5I 163.1(9) . . ?
C1I C2I Cu4 71.8(5) . . ?
C5I C2I Cu4 123.1(5) . . ?
C1J C2J C5J 171.7(10) . . ?
C1J C2J Cu6 65.0(6) . . ?
C5J C2J Cu6 123.2(7) . . ?
C1K C2K C5K 178.6(11) . . ?
C1K C2K Cu6 61.1(6) . . ?
C5K C2K Cu6 120.1(6) . . ?
C1L C2L C5L 172.6(8) . . ?
C1L C2L Cu5 63.4(4) . . ?
C5L C2L Cu5 123.4(6) . . ?
C4A C3A C2A 120.9(9) . . ?
C4B C3B C8B 122.4(7) . . ?
C4B C3B C15B 125.0(6) . . ?
C8B C3B C15B 112.5(6) . . ?
C4C C3C C21C 131.8(8) . . ?
C4C C3C C34C 123.1(9) . . ?
C8C C3C C4C 119.5(6) . . ?
C8C C3C C21C 108.3(7) . . ?
C8C C3C C34C 116.5(9) . . ?
C4D C3D C8D 120.0(7) . . ?
C4D C3D C27D 125.4(7) . . ?
C8D C3D C27D 114.5(7) . . ?
C4E C3E C8E 120.2(7) . . ?
C4E C3E C21E 128.1(6) . . ?
C8E C3E C21E 111.7(6) . . ?
C4F C3F C8F 121.4(8) . . ?
C4F C3F C21F 128.5(8) . . ?
C8F C3F C21F 110.0(6) . . ?
C4G C3G C8G 121.1(8) . . ?
C4G C3G C21G 128.9(8) . . ?
C8G C3G C21G 109.9(8) . . ?
C4H C3H C2H 119.9(8) . . ?
C8H C3H C2H 119.8(8) . . ?
C8H C3H C4H 120.2(7) . . ?
C4I C3I C8I 121.9(7) . . ?
C4I C3I C21I 128.6(7) . . ?
C8I C3I C21I 109.4(7) . . ?
C4J C3J C21J 127.2(9) . . ?
C4J C3J C34J 122.7(10) . . ?
C8J C3J C4J 118.2(10) . . ?
C8J C3J C21J 114.6(11) . . ?
C8J C3J C34J 118.5(12) . . ?
C4K C3K C8K 118.5(7) . . ?
C4K C3K C21K 130.1(7) . . ?
C8K C3K C21K 111.4(5) . . ?
C4L C3L C27L 119.9(7) . . ?
C4L C3L C40L 133.0(6) . . ?
C8L C3L C4L 119.7(7) . . ?
C8L C3L C27L 118.2(5) . . ?
C8L C3L C40L 106.2(6) . . ?
C3A C4A C5A 120.2(7) . . ?
C3B C4B C5B 118.4(6) . . ?
C5C C4C C3C 119.9(8) . . ?
C3D C4D C5D 118.9(7) . . ?
C3E C4E C5E 118.9(6) . . ?
C3F C4F C5F 117.5(8) . . ?
C3G C4G C5G 119.1(7) . . ?
C5H C4H C3H 119.5(9) . . ?
C3I C4I C5I 120.2(8) . . ?
C5J C4J C3J 120.8(9) . . ?
C3K C4K C5K 121.2(7) . . ?
C3L C4L C5L 120.4(7) . . ?
C6A C5A C4A 119.6(7) . . ?
C4B C5B C2B 123.3(7) . . ?
C4B C5B C6B 118.9(6) . . ?
C6B C5B C2B 117.7(7) . . ?
C4C C5C C2C 118.8(8) . . ?
C6C C5C C2C 122.4(6) . . ?
C6C C5C C4C 118.8(8) . . ?
C4D C5D C2D 119.6(7) . . ?
C6D C5D C2D 119.3(7) . . ?
C6D C5D C4D 120.9(8) . . ?
C4E C5E C2E 120.8(6) . . ?
C6E C5E C2E 119.7(6) . . ?
C6E C5E C4E 119.5(5) . . ?
C4F C5F C2F 120.6(7) . . ?
C6F C5F C2F 117.6(7) . . ?
C6F C5F C4F 121.7(6) . . ?
C28D C5FB C29D 110.6(10) . . ?
C4G C5G C2G 116.8(7) . . ?
C6G C5G C2G 123.0(8) . . ?
C6G C5G C4G 120.1(8) . . ?
C4H C5H C6H 120.5(9) . . ?
C4I C5I C2I 118.6(7) . . ?
C6I C5I C2I 123.9(7) . . ?
C6I C5I C4I 117.4(8) . . ?
C4J C5J C2J 122.5(9) . . ?
C6J C5J C2J 116.9(9) . . ?
C6J C5J C4J 120.2(11) . . ?
C4K C5K C2K 123.4(7) . . ?
C4K C5K C6K 118.4(6) . . ?
C6K C5K C2K 117.9(7) . . ?
C4L C5L C2L 122.0(6) . . ?
C6L C5L C2L 118.8(7) . . ?
C6L C5L C4L 119.2(6) . . ?
C1A C6A C7A 108.2(6) . . ?
C5A C6A C1A 120.6(8) . . ?
C5A C6A C7A 131.1(7) . . ?
C7B C6B C5B 121.2(7) . . ?
C7C C6C C5C 121.9(6) . . ?
C5D C6D C7D 121.2(8) . . ?
C7E C6E C5E 121.2(7) . . ?
C5F C6F C7F 120.0(7) . . ?
C5G C6G C7G 120.5(8) . . ?
C5H C6H C7H 120.0(8) . . ?
C5H C6H C9H 133.4(9) . . ?
C7H C6H C9H 106.7(10) . . ?
C5I C6I C7I 123.3(7) . . ?
C5J C6J C7J 119.1(10) . . ?
C7K C6K C5K 122.2(7) . . ?
C7L C6L C5L 119.2(7) . . ?
C8A C7A C6A 131.7(5) . . ?
C12A C7A C6A 108.8(7) . . ?
C12A C7A C8A 119.4(8) . . ?
C6B C7B C8B 120.1(6) . . ?
C6C C7C C8C 119.1(8) . . ?
C8D C7D C6D 117.0(7) . . ?
C8E C7E C6E 119.1(7) . . ?
C6F C7F C8F 119.3(7) . . ?
C8G C7G C6G 119.4(8) . . ?
C6H C7H C21H 113.0(8) . . ?
C8H C7H C6H 120.1(9) . . ?
C8H C7H C21H 126.9(9) . . ?
C6I C7I C8I 119.0(8) . . ?
C8J C7J C6J 120.1(9) . . ?
C6K C7K C8K 118.5(7) . . ?
C8L C7L C6L 121.5(7) . . ?
C9A C8A C7A 119.4(5) . . ?
C3B C8B C9B 107.9(6) . . ?
C7B C8B C3B 118.9(7) . . ?
C7B C8B C9B 133.1(6) . . ?
C3C C8C C7C 120.6(8) . . ?
C3C C8C C9C 108.9(6) . . ?
C7C C8C C9C 130.2(8) . . ?
C3D C8D C7D 121.9(8) . . ?
C3D C8D C9D 106.3(7) . . ?
C7D C8D C9D 131.8(7) . . ?
C3E C8E C9E 107.9(6) . . ?
C7E C8E C3E 121.0(6) . . ?
C7E C8E C9E 131.0(6) . . ?
C3F C8F C7F 120.0(6) . . ?
C3F C8F C9F 109.6(7) . . ?
C7F C8F C9F 130.5(8) . . ?
C3G C8G C9G 108.5(7) . . ?
C7G C8G C3G 119.7(8) . . ?
C7G C8G C9G 131.8(8) . . ?
C7H C8H C3H 119.6(8) . . ?
C3I C8I C7I 118.1(8) . . ?
C3I C8I C9I 109.9(7) . . ?
C7I C8I C9I 131.9(8) . . ?
C3J C8J C7J 121.4(12) . . ?
C3J C8J C9J 106.7(9) . . ?
C7J C8J C9J 131.8(10) . . ?
C3K C8K C9K 108.1(6) . . ?
C7K C8K C3K 121.1(5) . . ?
C7K C8K C9K 130.7(7) . . ?
C3L C8L C9L 97.6(7) . . ?
C3L C8L C15L 115.6(7) . . ?
C7L C8L C3L 119.9(6) . . ?
C7L C8L C9L 142.4(7) . . ?
C7L C8L C15L 124.4(7) . . ?
C8A C9A C10A 120.3(7) . . ?
C10B C9B C8B 132.2(7) . . ?
C10B C9B C14B 119.1(8) . . ?
C14B C9B C8B 108.7(6) . . ?
C10C C9C C8C 131.1(6) . . ?
C10C C9C C14C 122.0(7) . . ?
C14C C9C C8C 106.9(8) . . ?
C10D C9D C8D 130.2(8) . . ?
C14D C9D C8D 112.1(7) . . ?
C14D C9D C10D 117.7(8) . . ?
C10E C9E C8E 130.7(8) . . ?
C10E C9E C14E 121.5(7) . . ?
C14E C9E C8E 107.8(6) . . ?
C10F C9F C8F 130.0(9) . . ?
C14F C9F C8F 105.8(7) . . ?
C14F C9F C10F 124.0(7) . . ?
C10G C9G C8G 129.4(9) . . ?
C10G C9G C14G 120.4(9) . . ?
C14G C9G C8G 110.2(8) . . ?
C10H C9H C6H 129.2(12) . . ?
C14H C9H C6H 109.9(9) . . ?
C14H C9H C10H 120.8(10) . . ?
C10I C9I C8I 129.9(8) . . ?
C10I C9I C14I 121.0(8) . . ?
C14I C9I C8I 109.0(7) . . ?
C10J C9J C8J 130.8(10) . . ?
C10J C9J C14J 119.0(13) . . ?
C14J C9J C8J 109.8(10) . . ?
C10K C9K C8K 132.0(8) . . ?
C10K C9K C14K 119.9(6) . . ?
C14K C9K C8K 108.0(6) . . ?
C14L C9L C8L 115.3(6) . . ?
C14L C9L C10L 120.0 . . ?
C10L C9L C8L 123.3(6) . . ?
C9L C14L C13L 120.0 . . ?
C9L C14L C27L 111.6(8) . . ?
C13L C14L C27L 128.3(8) . . ?
C12L C13L C14L 120.0 . . ?
C13L C12L C11L 120.0 . . ?
C10L C11L C12L 120.0 . . ?
C11L C10L C9L 120.0 . . ?
C9A C10A C26A 120.1(7) . . ?
C11A C10A C9A 119.9(7) . . ?
C11A C10A C26A 120.0(5) . . ?
C11B C10B C9B 118.7(8) . . ?
C9C C10C C11C 117.4(8) . . ?
C11D C10D C9D 119.8(8) . . ?
C9E C10E C11E 118.5(9) . . ?
C11F C10F C9F 117.0(11) . . ?
C11G C10G C9G 115.0(11) . . ?
C11H C10H C9H 119.0(14) . . ?
C11I C10I C9I 119.8(9) . . ?
C11J C10J C9J 116.3(11) . . ?
C9K C10K C11K 119.7(9) . . ?
C12A C11A C10A 119.7(5) . . ?
C12B C11B C10B 122.0(8) . . ?
C12C C11C C10C 121.4(11) . . ?
C10D C11D C12D 120.3(8) . . ?
C12E C11E C10E 121.1(8) . . ?
C12F C11F C10F 121.0(10) . . ?
C12G C11G C10G 127.7(13) . . ?
C12H C11H C10H 120.7(12) . . ?
C10I C11I C12I 120.3(10) . . ?
C10J C11J C12J 125.5(14) . . ?
C12K C11K C10K 119.9(8) . . ?
C7A C12A C19A 112.5(8) . . ?
C7A C12A C34A 111.3(8) . . ?
C11A C12A C7A 121.2(8) . . ?
C11A C12A C19A 126.2(6) . . ?
C11A C12A C34A 127.4(6) . . ?
C11B C12B C13B 120.3(9) . . ?
C11C C12C C13C 121.3(9) . . ?
C11D C12D C13D 120.3(9) . . ?
C11E C12E C13E 120.7(8) . . ?
C11F C12F C13F 121.9(9) . . ?
C11G C12G C13G 116.0(12) . . ?
C11H C12H C13H 122.1(13) . . ?
C13I C12I C11I 120.2(9) . . ?
C13J C12J C11J 118.9(16) . . ?
C11K C12K C13K 122.8(7) . . ?
C14B C13B C12B 119.2(8) . . ?
C12C C13C C14C 119.2(8) . . ?
C14D C13D C12D 117.9(8) . . ?
C14E C13E C12E 118.8(9) . . ?
C12F C13F C14F 119.3(12) . . ?
C14G C13G C12G 120.6(12) . . ?
C12H C13H C14H 118.6(14) . . ?
C12I C13I C14I 119.9(8) . . ?
C12J C13J C14J 117.8(13) . . ?
C12K C13K C14K 117.2(9) . . ?
C15A C14A C13A 111.3(11) . . ?
C9B C14B C15B 111.5(7) . . ?
C13B C14B C9B 120.7(7) . . ?
C13B C14B C15B 127.8(7) . . ?
C9C C14C C21C 111.1(7) . . ?
C9C C14C C34C 113.4(7) . . ?
C13C C14C C9C 118.6(9) . . ?
C13C C14C C21C 130.1(7) . . ?
C13C C14C C34C 126.9(8) . . ?
C9D C14D C27D 107.9(8) . . ?
C13D C14D C9D 123.9(8) . . ?
C13D C14D C27D 128.2(8) . . ?
C9E C14E C21E 112.0(6) . . ?
C13E C14E C9E 119.3(7) . . ?
C13E C14E C21E 128.7(8) . . ?
C9F C14F C13F 116.8(8) . . ?
C9F C14F C21F 114.8(7) . . ?
C13F C14F C21F 128.4(10) . . ?
C9G C14G C21G 109.3(8) . . ?
C13G C14G C9G 119.5(11) . . ?
C13G C14G C21G 131.1(10) . . ?
C9H C14H C13H 118.6(10) . . ?
C9H C14H C21H 110.2(9) . . ?
C13H C14H C21H 131.1(12) . . ?
C9I C14I C21I 110.8(7) . . ?
C13I C14I C9I 118.7(8) . . ?
C13I C14I C21I 130.2(7) . . ?
C9J C14J C21J 108.5(11) . . ?
C9J C14J C34J 111.1(12) . . ?
C13J C14J C9J 122.3(11) . . ?
C13J C14J C21J 129.0(10) . . ?
C13J C14J C34J 126.5(11) . . ?
C9K C14K C13K 120.5(7) . . ?
C9K C14K C21K 112.6(6) . . ?
C13K C14K C21K 126.8(8) . . ?
C16A C15A C14A 108.7(10) . . ?
C3B C15B C14B 99.3(5) . . ?
C3B C15B C21B 112.6(6) . . ?
C3B C15B C22B 111.3(5) . . ?
C14B C15B C21B 113.3(4) . . ?
C14B C15B C22B 110.8(6) . . ?
C21B C15B C22B 109.3(5) . . ?
C20L C15L C8L 102.8(5) . . ?
C20L C15L C16L 120.0 . . ?
C16L C15L C8L 137.1(5) . . ?
C15L C20L C40L 113.7(5) . . ?
C19L C20L C15L 120.0 . . ?
C19L C20L C40L 126.3(5) . . ?
C20L C19L C18L 120.0 . . ?
C17L C18L C19L 120.0 . . ?
C18L C17L C16L 120.0 . . ?
C17L C16L C15L 120.0 . . ?
C15A C16A C17A 111.3(9) . . ?
C17C C16C C15C 103.5(10) . . ?
C17D C16D C15D 112.6(8) . . ?
C15E C16E C17E 106.9(8) . . ?
C17F C16F C15F 105.8(11) . . ?
C15G C16G C17G 112.5(14) . . ?
C15H C16H C17H 114.1(9) . . ?
C15I C16I C17I 113.8(10) . . ?
C17J C16J C15J 106.5(11) . . ?
C15K C16K C17K 116.1(12) . . ?
C18A C17A C16A 109.1(8) . . ?
C18B C17B C16B 112.3(7) . . ?
C18C C17C C16C 115.2(11) . . ?
C16D C17D C18D 115.8(7) . . ?
C16E C17E C18E 112.2(10) . . ?
C18F C17F C16F 107.5(10) . . ?
C18G C17G C16G 113.7(13) . . ?
C16H C17H C18H 112.7(8) . . ?
C16I C17I C18I 106.2(9) . . ?
C16J C17J C18J 107.8(10) . . ?
C18K C17K C16K 116.8(11) . . ?
C17A C18A C19A 111.2(9) . . ?
C19B C18B C17B 114.0(6) . . ?
C17C C18C C19C 108.4(8) . . ?
C17D C18D C19D 115.2(6) . . ?
C17E C18E C19E 113.4(9) . . ?
C17F C18F C19F 111.5(9) . . ?
C30F C18F C19F 109.0(9) . . ?
C17G C18G C19G 111.6(11) . . ?
C17H C18H C19H 112.8(8) . . ?
C17I C18I C19I 114.8(7) . . ?
C17J C18J C19J 106.5(9) . . ?
C17K C18K C19K 117.8(10) . . ?
C12A C19A C1A 98.5(7) . . ?
C18A C19A C1A 109.7(12) . . ?
C18A C19A C12A 121.1(10) . . ?
C20A C19A C1A 120.7(10) . . ?
C20A C19A C12A 102.2(13) . . ?
C20A C19A C18A 105.5(9) . . ?
C18B C19B C20B 115.7(6) . . ?
C20C C19C C18C 108.8(8) . . ?
C20D C19D C18D 112.7(6) . . ?
C20E C19E C18E 116.9(9) . . ?
C20F C19F C18F 107.8(9) . . ?
C20G C19G C18G 108.4(11) . . ?
C20H C19H C18H 112.9(8) . . ?
C20I C19I C18I 111.7(8) . . ?
C20J C19J C18J 111.0(8) . . ?
C20K C19K C18K 113.2(9) . . ?
C21A C20A C19A 113.3(10) . . ?
C19B C20B C21B 114.3(6) . . ?
C19C C20C C21C 115.4(7) . . ?
C19D C20D C27D 115.1(6) . . ?
C19E C20E C21E 118.8(8) . . ?
C19F C20F C21F 115.7(10) . . ?
C19G C20G C21G 122.1(10) . . ?
C32G C20G C21G 115.4(9) . . ?
C19H C20H C21H 117.9(8) . . ?
C19I C20I C21I 112.8(8) . . ?
C21I C20I C32I 110.7(8) . . ?
C19J C20J C21J 111.7(8) . . ?
C19K C20K C21K 116.3(9) . . ?
C20A C21A C22A 111.7(10) . . ?
C20B C21B C15B 117.5(6) . . ?
C3C C21C C20C 113.7(8) . . ?
C3C C21C C22C 109.2(8) . . ?
C14C C21C C3C 103.7(7) . . ?
C14C C21C C20C 115.5(9) . . ?
C14C C21C C22C 108.8(8) . . ?
C20C C21C C22C 105.8(7) . . ?
C22D C21D C27D 117.0(8) . . ?
C3E C21E C14E 100.5(6) . . ?
C3E C21E C22E 110.7(8) . . ?
C20E C21E C3E 110.7(7) . . ?
C20E C21E C14E 111.4(8) . . ?
C20E C21E C22E 111.1(7) . . ?
C22E C21E C14E 112.0(7) . . ?
C14F C21F C3F 99.6(8) . . ?
C14F C21F C20F 113.9(9) . . ?
C14F C21F C22F 114.4(8) . . ?
C20F C21F C3F 109.6(7) . . ?
C22F C21F C3F 110.7(8) . . ?
C22F C21F C20F 108.4(9) . . ?
C3G C21G C20G 112.3(5) . . ?
C3G C21G C22G 115.7(9) . . ?
C3G C21G C33G 108.9(10) . . ?
C14G C21G C3G 102.0(7) . . ?
C14G C21G C20G 103.1(7) . . ?
C14G C21G C22G 106.5(8) . . ?
C14G C21G C33G 124.1(8) . . ?
C22G C21G C20G 115.3(8) . . ?
C33G C21G C20G 106.4(8) . . ?
C7H C21H C14H 99.9(8) . . ?
C7H C21H C20H 111.5(8) . . ?
C7H C21H C22H 102.7(8) . . ?
C7H C21H C28H 121.4(7) . . ?
C20H C21H C14H 109.4(7) . . ?
C20H C21H C22H 121.0(9) . . ?
C20H C21H C28H 101.1(8) . . ?
C22H C21H C14H 110.2(9) . . ?
C28H C21H C14H 113.5(9) . . ?
C3I C21I C22I 110.0(7) . . ?
C14I C21I C3I 100.0(7) . . ?
C14I C21I C22I 107.0(6) . . ?
C20I C21I C3I 114.3(6) . . ?
C20I C21I C14I 115.5(7) . . ?
C20I C21I C22I 109.5(7) . . ?
C3J C21J C14J 100.1(8) . . ?
C3J C21J C20J 117.2(11) . . ?
C3J C21J C22J 107.5(12) . . ?
C20J C21J C14J 106.9(12) . . ?
C20J C21J C22J 110.4(8) . . ?
C22J C21J C14J 114.6(11) . . ?
C14K C21K C3K 99.7(7) . . ?
C14K C21K C20K 115.4(7) . . ?
C20K C21K C3K 111.2(7) . . ?
C22K C21K C3K 111.4(7) . . ?
C22K C21K C14K 113.3(8) . . ?
C22K C21K C20K 106.0(9) . . ?
C21A C22A C25A 104.7(12) . . ?
C23B C22B C15B 115.6(6) . . ?
C23C C22C C21C 114.4(7) . . ?
C21D C22D C23D 99.3(8) . . ?
C21D C22D C28D 138.4(9) . . ?
C23E C22E C21E 118.6(8) . . ?
C23F C22F C21F 116.7(9) . . ?
C23G C22G C21G 114.8(9) . . ?
C23H C22H C21H 111.1(9) . . ?
C23I C22I C21I 120.1(7) . . ?
C23J C22J C21J 112.5(8) . . ?
C23K C22K C21K 119.6(10) . . ?
C23L C22L C21L 111.8(15) . . ?
C25A C23A C24A 110.7(15) . . ?
C24B C23B C22B 112.0(6) . . ?
C22C C23C C24C 112.8(8) . . ?
C24D C23D C22D 106.1(9) . . ?
C24E C23E C22E 114.5(8) . . ?
C22F C23F C24F 117.1(9) . . ?
C22F C23F C31F 113.4(10) . . ?
C22G C23G C24G 113.7(9) . . ?
C22H C23H C24H 111.4(9) . . ?
C22I C23I C24I 105.1(8) . . ?
C22I C23I C33I 112.4(8) . . ?
C22J C23J C24J 107.7(8) . . ?
C22K C23K C24K 123.0(11) . . ?
C22K C23K C28K 107.9(9) . . ?
C22L C23L C24L 109.0(9) . . ?
C25B C24B C23B 115.2(7) . . ?
C28B C24B C23B 116.3(6) . . ?
C23C C24C C25C 110.7(7) . . ?
C23D C24D C25D 107.5(11) . . ?
C23E C24E C25E 118.5(8) . . ?
C23F C24F C25F 110.3(9) . . ?
C25G C24G C23G 112.7(10) . . ?
C23H C24H C25H 108.6(9) . . ?
C25I C24I C23I 112.1(8) . . ?
C25J C24J C23J 106.3(9) . . ?
C25K C24K C23K 112.1(10) . . ?
C23L C24L C25L 105.8(9) . . ?
C23A C25A C22A 113.7(16) . . ?
C24B C25B C26B 110.9(8) . . ?
C26C C25C C24C 110.7(8) . . ?
C26D C25D C24D 108.7(10) . . ?
C24E C25E C26E 115.9(8) . . ?
C24E C25E C28E 111.9(8) . . ?
C26F C25F C24F 115.9(10) . . ?
C26G C25G C24G 111.6(12) . . ?
C26H C25H C24H 107.4(12) . . ?
C24I C25I C26I 108.0(12) . . ?
C46J C25J C24J 110.9(9) . . ?
C24K C25K C26K 116.5(13) . . ?
C26L C25L C24L 110.9(8) . . ?
C10A C26A Cu1 129.3(6) . . ?
C27A C26A C10A 174.3(9) . . ?
C27A C26A Cu1 56.2(6) . . ?
C25B C26B C27B 108.5(13) . . ?
C27C C26C C25C 105.0(11) . . ?
C27E C26E C25E 112.2(10) . . ?
C27F C26F C25F 108.1(11) . . ?
C25G C26G C27G 107.0(12) . . ?
C27H C26H C25H 108.2(13) . . ?
C25I C26I C27I 109.4(13) . . ?
C25J C46J C27J 108.0(10) . . ?
C27K C26K C25K 111.8(13) . . ?
C25L C26L C27L 114.0(9) . . ?
C26A C27A Au1 160.9(9) . . ?
C26A C27A Cu1 93.7(7) . . ?
Cu1 C27A Au1 105.3(4) . . ?
C3D C27D C14D 99.0(6) . . ?
C3D C27D C20D 113.5(7) . . ?
C3D C27D C21D 111.9(9) . . ?
C20D C27D C14D 111.6(9) . . ?
C20D C27D C21D 111.2(7) . . ?
C21D C27D C14D 108.9(7) . . ?
C14L C27L C3L 92.6(7) . . ?
C14L C27L C26L 115.4(8) . . ?
C14L C27L C28L 112.6(10) . . ?
C26L C27L C3L 124.3(10) . . ?
C26L C27L C28L 103.8(8) . . ?
C28L C27L C3L 108.0(7) . . ?
C24B C28B C29B 115.5(11) . . ?
C5FB C28D C22D 116.0(11) . . ?
C29E C28E C25E 111.8(13) . . ?
C29H C28H C21H 110.2(9) . . ?
C29K C28K C23K 107.8(9) . . ?
C29L C28L C27L 116.3(9) . . ?
C28A C29A C30A 109.3(9) . . ?
C30B C29B C28B 114.9(13) . . ?
C28C C29C C30C 105.0(12) . . ?
C30D C29D C5FB 108.1(15) . . ?
C30F C29F C28F 106.2(11) . . ?
C28G C29G C30G 104.6(14) . . ?
C28H C29H C30H 112.0(10) . . ?
C30I C29I C28I 108.9(13) . . ?
C30J C29J C28J 110.7(16) . . ?
C28K C29K C30K 113.8(10) . . ?
C28L C29L C30L 110.7(9) . . ?
C31A C30A C29A 109.7(8) . . ?
C31C C30C C29C 106.7(12) . . ?
C18F C30F C29F 110.1(13) . . ?
C31G C30G C29G 113.0(8) . . ?
C31H C30H C29H 107.7(8) . . ?
C29I C30I C31I 111.2(13) . . ?
C29J C30J C31J 109.3(12) . . ?
C31K C30K C29K 115.0(12) . . ?
C29L C30L C31L 114.8(10) . . ?
C30A C31A C32A 113.8(8) . . ?
C30C C31C C32C 111.5(11) . . ?
C23F C31F C32F 107.9(10) . . ?
C30G C31G C32G 111.5(8) . . ?
C32H C31H C30H 113.6(9) . . ?
C30I C31I C32I 151.2(11) . . ?
C30J C31J C32J 109.7(10) . . ?
C30L C31L C32L 107.1(11) . . ?
C33A C32A C31A 109.2(7) . . ?
C33C C32C C31C 108.4(10) . . ?
C33F C32F C31F 107.7(11) . . ?
C20G C32G C31G 112.8(11) . . ?
C31H C32H C33H 108.3(10) . . ?
C20I C32I C31I 116.0(12) . . ?
C33J C32J C31J 110.5(13) . . ?
C33L C32L C31L 109.7(14) . . ?
C34A C33A C32A 116.5(7) . . ?
C32C C33C C34C 114.1(10) . . ?
C34F C33F C32F 110.0(12) . . ?
C34G C33G C21G 112.3(9) . . ?
C23I C33I C34I 102.9(9) . . ?
C32J C33J C34J 110.3(12) . . ?
C1A C34A C12A 99.3(6) . . ?
C1A C34A C35A 107.8(9) . . ?
C33A C34A C1A 115.1(10) . . ?
C33A C34A C12A 110.5(9) . . ?
C33A C34A C35A 107.7(7) . . ?
C35A C34A C12A 116.5(11) . . ?
C3C C34C C14C 92.2(8) . . ?
C33C C34C C3C 106.8(9) . . ?
C33C C34C C14C 105.0(12) . . ?
C33C C34C C35C 109.1(10) . . ?
C35C C34C C3C 119.5(11) . . ?
C35C C34C C14C 122.2(11) . . ?
C33G C34G C35G 112.7(10) . . ?
C33I C34I C35I 104.7(10) . . ?
C3J C34J C14J 92.9(8) . . ?
C33J C34J C3J 101.9(13) . . ?
C33J C34J C14J 129.7(13) . . ?
C35J C34J C3J 121.0(15) . . ?
C35J C34J C14J 105.1(14) . . ?
C35J C34J C33J 107.3(10) . . ?
C36A C35A C34A 110.9(8) . . ?
C36C C35C C34C 113.4(10) . . ?
C36G C35G C34G 107.4(10) . . ?
C36I C35I C34I 103.1(12) . . ?
C36J C35J C34J 113.0(11) . . ?
C36L C35L C34L 105.5(11) . . ?
C35A C36A C37A 113.0(11) . . ?
C35C C36C C37C 113.9(11) . . ?
C37G C36G C35G 116.9(12) . . ?
C35J C36J C37J 108.7(10) . . ?
C35L C36L C37L 109.5(11) . . ?
C38A C37A C36A 114.0(9) . . ?
C38C C37C C36C 112.3(13) . . ?
C36G C37G C38G 103.8(13) . . ?
C38J C37J C36J 107.7(12) . . ?
C38L C37L C36L 104.1(9) . . ?
C39A C38A C37A 113.3(10) . . ?
C39C C38C C37C 119.4(12) . . ?
C39J C38J C37J 110.8(12) . . ?
C39L C38L C37L 114.1(8) . . ?
C38A C39A C40A 116.0(13) . . ?
C38C C39C C40C 114.6(12) . . ?
C38J C39J C40J 110.5(13) . . ?
C38L C39L C40L 113.6(7) . . ?
C3L C40L C20L 100.7(6) . . ?
C3L C40L C39L 103.9(8) . . ?
C39L C40L C20L 114.6(6) . . ?
C41L C40L C3L 118.0(7) . . ?
C41L C40L C20L 106.5(7) . . ?
C41L C40L C39L 112.9(8) . . ?
C42L C41L C40L 117.1(8) . . ?
C41L C42L C43L 110.9(8) . . ?
C42L C43L C44L 112.9(9) . . ?
C45L C44L C43L 115.8(9) . . ?
C44L C45L C46L 117.0(11) . . ?
Au2 Cu1 Au1 59.43(2) . . ?
C1C Cu1 Au1 145.4(2) . . ?
C1C Cu1 Au2 85.9(2) . . ?
C1C Cu1 C2C 34.6(3) . . ?
C1C Cu1 C26A 146.4(3) . . ?
C2C Cu1 Au1 176.5(2) . . ?
C2C Cu1 Au2 120.4(3) . . ?
C2C Cu1 C26A 111.9(3) . . ?
C26A Cu1 Au1 68.28(19) . . ?
C26A Cu1 Au2 127.70(19) . . ?
C27A Cu1 Au1 38.2(3) . . ?
C27A Cu1 Au2 97.6(3) . . ?
C27A Cu1 C1C 176.4(4) . . ?
C27A Cu1 C2C 142.0(4) . . ?
C27A Cu1 C26A 30.1(3) . . ?
Au2 Cu2 Au1 58.99(2) . . ?
Au5 Cu2 Au1 124.77(3) . . ?
Au5 Cu2 Au2 66.49(2) . . ?
C1B Cu2 Au1 37.4(2) . . ?
C1B Cu2 Au2 90.9(2) . . ?
C1B Cu2 Au5 143.40(18) . . ?
C1B Cu2 C2B 33.2(3) . . ?
C1B Cu2 C2E 139.9(2) . . ?
C1E Cu2 Au1 155.3(2) . . ?
C1E Cu2 Au2 101.04(19) . . ?
C1E Cu2 Au5 42.24(17) . . ?
C1E Cu2 C1B 167.1(3) . . ?
C1E Cu2 C2B 134.0(3) . . ?
C1E Cu2 C2E 31.6(2) . . ?
C2B Cu2 Au1 70.60(17) . . ?
C2B Cu2 Au2 118.68(13) . . ?
C2B Cu2 Au5 136.14(19) . . ?
C2B Cu2 C2E 115.2(2) . . ?
C2E Cu2 Au1 148.9(2) . . ?
C2E Cu2 Au2 126.10(18) . . ?
C2E Cu2 Au5 73.88(18) . . ?
Au3 Cu3 Au2 60.07(3) . . ?
Au3 Cu3 Au5 123.19(4) . . ?
Au5 Cu3 Au2 65.69(3) . . ?
C1D Cu3 Au2 99.4(3) . . ?
C1D Cu3 Au3 41.6(3) . . ?
C1D Cu3 Au5 146.45(18) . . ?
C1D Cu3 C1F 168.5(3) . . ?
C1D Cu3 C2D 34.1(3) . . ?
C1D Cu3 C2F 139.1(3) . . ?
C1F Cu3 Au2 92.1(2) . . ?
C1F Cu3 Au3 149.2(2) . . ?
C1F Cu3 Au5 40.36(19) . . ?
C1F Cu3 C2D 134.8(3) . . ?
C1F Cu3 C2F 32.7(2) . . ?
C2D Cu3 Au2 131.2(2) . . ?
C2D Cu3 Au3 75.7(2) . . ?
C2D Cu3 Au5 138.60(15) . . ?
C2D Cu3 C2F 115.6(3) . . ?
C2F Cu3 Au2 112.2(2) . . ?
C2F Cu3 Au3 143.11(18) . . ?
C2F Cu3 Au5 73.03(18) . . ?
Au2 Cu6 Au6 127.42(5) . . ?
Au5 Cu6 Au2 68.26(3) . . ?
Au5 Cu6 Au6 61.25(3) . . ?
C1J Cu6 Au2 147.1(2) . . ?
C1J Cu6 Au5 99.3(3) . . ?
C1J Cu6 Au6 41.2(3) . . ?
C1J Cu6 C2J 33.5(4) . . ?
C1J Cu6 C2K 137.4(3) . . ?
C1K Cu6 Au2 42.9(2) . . ?
C1K Cu6 Au5 97.3(3) . . ?
C1K Cu6 Au6 153.3(3) . . ?
C1K Cu6 C1J 163.4(4) . . ?
C1K Cu6 C2J 130.7(4) . . ?
C1K Cu6 C2K 30.8(2) . . ?
C2J Cu6 Au2 137.4(2) . . ?
C2J Cu6 Au5 130.4(3) . . ?
C2J Cu6 Au6 74.7(3) . . ?
C2J Cu6 C2K 114.8(4) . . ?
C2K Cu6 Au2 73.43(17) . . ?
C2K Cu6 Au5 113.5(3) . . ?
C2K Cu6 Au6 140.15(19) . . ?
Au4 Cu4 Au5 57.73(2) . . ?
C1G Cu4 Au4 36.1(3) . . ?
C1G Cu4 Au5 93.7(3) . . ?
C1G Cu4 C1I 178.7(3) . . ?
C1G Cu4 C2G 31.9(3) . . ?
C1G Cu4 C2I 145.8(3) . . ?
C1I Cu4 Au4 144.6(2) . . ?
C1I Cu4 Au5 86.9(2) . . ?
C1I Cu4 C2G 147.5(3) . . ?
C1I Cu4 C2I 33.8(2) . . ?
C2G Cu4 Au4 67.96(18) . . ?
C2G Cu4 Au5 125.60(18) . . ?
C2I Cu4 Au4 173.5(2) . . ?
C2I Cu4 Au5 120.2(2) . . ?
C2I Cu4 C2G 114.1(3) . . ?
Au2 Cu5 Au4 127.20(3) . . ?
Au2 Cu5 Au5 68.37(3) . . ?
Au5 Cu5 Au4 59.81(2) . . ?
C1H Cu5 Au2 143.42(19) . . ?
C1H Cu5 Au4 36.9(2) . . ?
C1H Cu5 Au5 91.12(19) . . ?
C1H Cu5 C1L 163.0(3) . . ?
C1H Cu5 C2H 33.8(3) . . ?
C1H Cu5 C2L 137.7(3) . . ?
C1L Cu5 Au2 43.53(18) . . ?
C1L Cu5 Au4 159.7(2) . . ?
C1L Cu5 Au5 104.60(19) . . ?
C1L Cu5 C2H 129.5(3) . . ?
C1L Cu5 C2L 31.7(3) . . ?
C2H Cu5 Au2 132.8(2) . . ?
C2H Cu5 Au4 70.7(2) . . ?
C2H Cu5 Au5 118.34(16) . . ?
C2H Cu5 C2L 113.7(3) . . ?
C2L Cu5 Au2 75.18(19) . . ?
C2L Cu5 Au4 147.5(2) . . ?
C2L Cu5 Au5 127.9(2) . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.442 0.250 0.308 2087.0 417.6 ?
2 0.440 0.750 0.690 2087.0 417.6 ?
3 0.072 0.406 0.240 8.6 0.0 ?
4 0.072 0.594 0.740 8.6 0.0 ?
5 0.118 0.507 0.397 11.8 2.6 ?
6 0.118 0.493 0.897 11.8 2.6 ?
7 0.239 0.111 0.350 7.2 0.0 ?
8 0.239 0.889 0.850 7.2 0.0 ?
9 0.261 0.389 0.650 7.2 0.0 ?
10 0.261 0.611 0.150 7.2 0.0 ?
11 0.382 0.007 0.103 11.8 1.8 ?
12 0.382 -0.007 0.603 11.8 1.8 ?
13 0.428 0.094 0.760 8.6 0.0 ?
14 0.428 0.906 0.260 8.6 0.0 ?
15 0.572 0.094 0.740 8.6 0.0 ?
16 0.572 0.906 0.240 8.6 0.0 ?
17 0.618 0.007 0.397 11.8 2.6 ?
18 0.618 -0.007 0.897 11.8 2.6 ?
19 0.739 0.389 0.850 7.2 0.0 ?
20 0.739 0.611 0.350 7.2 0.0 ?
21 0.761 0.111 0.150 7.2 0.0 ?
22 0.761 0.889 0.650 7.2 0.0 ?
23 0.882 0.493 0.603 11.8 1.8 ?
24 0.882 0.507 0.103 11.8 1.8 ?
25 0.928 0.406 0.260 8.6 0.0 ?
26 0.928 0.594 0.760 8.6 0.0 ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_preparation       ', Luminescent'
####################################################################### 
# 
# 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_mo_chem0005_0m
_database_code_depnum_ccdc_archive 'CCDC 1499658'
_audit_update_record             
;
2016-08-25 deposited with the CCDC.
2017-09-18 downloaded from the CCDC.
;
_audit_creation_date             2016-08-23
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2016.02.24 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        3
_chemical_formula_moiety         'C192 H252 Au6 Cu6'
_chemical_formula_sum            'C192 H252 Au6 Cu6'
_chemical_formula_weight         4122.96
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           70
_space_group_name_H-M_alt        'F d d d'
_space_group_name_Hall           '-F 2uv 2vw'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y+1/4, -z+1/4'
'-x+1/4, y, -z+1/4'
'-x+1/4, -y+1/4, z'
'x, y+1/2, z+1/2'
'x, -y+3/4, -z+3/4'
'-x+1/4, y+1/2, -z+3/4'
'-x+1/4, -y+3/4, z+1/2'
'x+1/2, y, z+1/2'
'x+1/2, -y+1/4, -z+3/4'
'-x+3/4, y, -z+3/4'
'-x+3/4, -y+1/4, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+3/4, -z+1/4'
'-x+3/4, y+1/2, -z+1/4'
'-x+3/4, -y+3/4, z'
'-x, -y, -z'
'-x, y-1/4, z-1/4'
'x-1/4, -y, z-1/4'
'x-1/4, y-1/4, -z'
'-x, -y+1/2, -z+1/2'
'-x, y+1/4, z+1/4'
'x-1/4, -y+1/2, z+1/4'
'x-1/4, y+1/4, -z+1/2'
'-x+1/2, -y, -z+1/2'
'-x+1/2, y-1/4, z+1/4'
'x+1/4, -y, z+1/4'
'x+1/4, y-1/4, -z+1/2'
'-x+1/2, -y+1/2, -z'
'-x+1/2, y+1/4, z-1/4'
'x+1/4, -y+1/2, z-1/4'
'x+1/4, y+1/4, -z'

_cell_length_a                   24.7200(11)
_cell_length_b                   30.9053(14)
_cell_length_c                   52.473(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     40088(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9789
_cell_measurement_temperature    220
_cell_measurement_theta_max      24.87
_cell_measurement_theta_min      2.44
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.038
_exptl_absorpt_correction_T_max  0.2046
_exptl_absorpt_correction_T_min  0.0957
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.1177 before and 0.0650 after correction.
The Ratio of minimum to maximum transmission is 0.4677.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.366
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Block
_exptl_crystal_F_000             16416
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.25
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0631
_diffrn_reflns_av_unetI/netI     0.0227
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       62
_diffrn_reflns_limit_l_min       -62
_diffrn_reflns_number            244098
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.140
_diffrn_reflns_theta_max         25.140
_diffrn_reflns_theta_min         2.110
_diffrn_ambient_temperature      220.02
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5701
_reflns_number_total             8933
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         2.093
_refine_diff_density_min         -1.181
_refine_diff_density_rms         0.146
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     795
_refine_ls_number_reflns         8933
_refine_ls_number_restraints     1323
_refine_ls_R_factor_all          0.1086
_refine_ls_R_factor_gt           0.0663
_refine_ls_restrained_S_all      1.009
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1095P)²+1012.9807P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1793
_refine_ls_wR_factor_ref         0.2274
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Shared sites
{C33, C41}
{C71, C17}
{C18, C72}
3. Restrained distances
 C51-C37 = C53-C51 = C52-C51 = C54-C51 = C58-C55 = C56-C55 = C57-C55 = C55-C47
 1.53 with sigma of 0.02
 C45-C65 = C66-C65 = C67-C65 = C65-C68
 1.53 with sigma of 0.02
 C9-C10A = C9-C12 = C9-C12A = C9-C11 = C9-C11A = C9-C10
 1.53 with sigma of 0.02
 C5-C13 = C5-C13A = C14-C13 = C16-C13 = C15-C13 = C15A-C13A = C14A-C13A = C16A-
 C13A
 1.53 with sigma of 0.02
 C27-C25 = C28-C25 = C26-C25 = C27A-C25A = C28A-C25A = C26A-C25A
 1.53 with sigma of 0.02
 C77-C25A = C25-C23
 1.53 with sigma of 0.02
 C29-C21 = C75-C29A = C30-C29 = C30A-C29A = C31-C29 = C31A-C29A = C32A-C29A =
 C32-C29
 1.53 with sigma of 0.02
 C61-C39 = C61-C62 = C61-C63
 1.53 with sigma of 0.02
 C64-C61
 1.53 with sigma of 0.02
 C28-C23 = C27-C23 = C26-C23
 2.52 with sigma of 0.04
 C27A-C77 = C26A-C77 = C28A-C77
 2.52 with sigma of 0.04
 C21-C30 = C21-C31 = C21-C32 = C30-C31 = C31-C32 = C32-C30
 2.52 with sigma of 0.04
 C75-C30A = C75-C31A = C75-C32A = C30A-C31A = C31A-C32A = C32A-C30A
 2.52 with sigma of 0.04
 C26-C27 = C27-C28 = C28-C26 = C26A-C27A = C27A-C28A = C28A-C26A
 2.52 with sigma of 0.04
 C54-C52 = C58-C57
 2.52 with sigma of 0.04
 C54-C53 = C56-C57
 2.52 with sigma of 0.04
 C52-C53 = C58-C56
 2.52 with sigma of 0.04
 C58-C47 = C54-C37
 2.52 with sigma of 0.04
 C57-C47 = C52-C37
 2.52 with sigma of 0.04
 C53-C37 = C56-C47
 2.52 with sigma of 0.04
 C63-C39
 2.52 with sigma of 0.04
 C66-C45
 2.52 with sigma of 0.04
 C67-C45
 2.52 with sigma of 0.04
 C68-C45
 2.52 with sigma of 0.04
 C66-C67
 2.52 with sigma of 0.04
 C66-C68
 2.52 with sigma of 0.04
 C67-C68
 2.52 with sigma of 0.04
 C10A-C7
 2.52 with sigma of 0.04
 C12-C7
 2.52 with sigma of 0.04
 C12A-C7
 2.52 with sigma of 0.04
 C11-C7
 2.52 with sigma of 0.04
 C11A-C7
 2.52 with sigma of 0.04
 C10-C7
 2.52 with sigma of 0.04
 C14-C16 = C16A-C14A
 2.52 with sigma of 0.04
 C16-C15 = C14A-C15A
 2.52 with sigma of 0.04
 C15-C14 = C15A-C16A
 2.52 with sigma of 0.04
 C16A-C5
 2.52 with sigma of 0.04
 C15A-C5
 2.52 with sigma of 0.04
 C14A-C5
 2.52 with sigma of 0.04
 C14-C5
 2.52 with sigma of 0.04
 C16-C5
 2.52 with sigma of 0.04
 C15-C5
 2.52 with sigma of 0.04
 C65-C46
 2.52 with sigma of 0.04
 C65-C44
 2.52 with sigma of 0.04
 C63-C62
 2.52 with sigma of 0.04
 C62-C39
 2.52 with sigma of 0.04
 C64-C63
 2.52 with sigma of 0.04
 C64-C62
 2.52 with sigma of 0.04
 C64-C39
 2.52 with sigma of 0.04
4. Restrained planarity
 C34, C35, C36, C37, C38, C39, C40
 with sigma of 0.1
 C42, C43, C44, C45, C46, C65
 with sigma of 0.1
 C19, C20, C21, C22, C23, C24
 with sigma of 0.1
 C73, C74, C75, C76, C77, C78
 with sigma of 0.1
5. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02
Uanis(C33) = Uanis(C41)
Uanis(C34) = Uanis(C42)
Uanis(C33) = Uanis(C41)
Uanis(C14) = Uanis(C14A)
Uanis(C13) = Uanis(C13A)
Uanis(C71) = Uanis(C17)
Uanis(C18) = Uanis(C72)
6. Same fragment restrains
{C17, C18, C19, C20, C21, C22, C23, C24} sigma for 1-2: 0.02, 1-3: 0.04
{C33, C34, C35, C36, C37, C38, C39, C40} sigma for 1-2: 0.02, 1-3: 0.04
{C71, C72, C73, C74, C75, C76, C77, C78} sigma for 1-2: 0.02, 1-3: 0.04
as
{C1, C2, C3, C4, C5, C6, C7, C8}
7. Others
 Sof(C41)=Sof(C42)=Sof(C43)=Sof(C48)=Sof(H48)=Sof(C47)=Sof(C46)=Sof(H46)=
 Sof(C45)=Sof(C44)=Sof(H44)=Sof(C55)=Sof(C56)=Sof(H56A)=Sof(H56B)=Sof(H56C)=
 Sof(C57)=Sof(H57A)=Sof(H57B)=Sof(H57C)=Sof(C58)=Sof(H58A)=Sof(H58B)=Sof(H58C)=
 Sof(C68)=Sof(H68A)=Sof(H68B)=Sof(H68C)=Sof(C65)=Sof(C66)=Sof(H66A)=Sof(H66B)=
 Sof(H66C)=Sof(C67)=Sof(H67A)=Sof(H67B)=Sof(H67C)=1-FVAR(1)
 Sof(C33)=Sof(C34)=Sof(C35)=Sof(C36)=Sof(H36)=Sof(C37)=Sof(C38)=Sof(H38)=
 Sof(C39)=Sof(C40)=Sof(H40)=Sof(C51)=Sof(C52)=Sof(H52A)=Sof(H52B)=Sof(H52C)=
 Sof(C53)=Sof(H53A)=Sof(H53B)=Sof(H53C)=Sof(C54)=Sof(H54A)=Sof(H54B)=Sof(H54C)=
 Sof(C63)=Sof(H63A)=Sof(H63B)=Sof(H63C)=Sof(C62)=Sof(H62A)=Sof(H62B)=Sof(H62C)=
 Sof(C61)=Sof(C64)=Sof(H64A)=Sof(H64B)=Sof(H64C)=FVAR(1)
 Sof(C12A)=Sof(H12D)=Sof(H12E)=Sof(H12F)=Sof(C11A)=Sof(H11D)=Sof(H11E)=
 Sof(H11F)=Sof(C10A)=Sof(H10D)=Sof(H10E)=Sof(H10F)=1-FVAR(2)
 Sof(C10)=Sof(H10A)=Sof(H10B)=Sof(H10C)=Sof(C11)=Sof(H11A)=Sof(H11B)=Sof(H11C)=
 Sof(C12)=Sof(H12A)=Sof(H12B)=Sof(H12C)=FVAR(2)
 Sof(C13A)=Sof(C14A)=Sof(H14D)=Sof(H14E)=Sof(H14F)=Sof(C16A)=Sof(H16D)=
 Sof(H16E)=Sof(H16F)=Sof(C15A)=Sof(H15D)=Sof(H15E)=Sof(H15F)=1-FVAR(3)
 Sof(C13)=Sof(C14)=Sof(H14A)=Sof(H14B)=Sof(H14C)=Sof(C15)=Sof(H15A)=Sof(H15B)=
 Sof(H15C)=Sof(C16)=Sof(H16A)=Sof(H16B)=Sof(H16C)=FVAR(3)
 Sof(C71)=Sof(C72)=Sof(C73)=Sof(C74)=Sof(H74)=Sof(C75)=Sof(C76)=Sof(H76)=
 Sof(C77)=Sof(C78)=Sof(H78)=Sof(C25A)=Sof(C27A)=Sof(H27D)=Sof(H27E)=Sof(H27F)=
 Sof(C26A)=Sof(H26D)=Sof(H26E)=Sof(H26F)=Sof(C28A)=Sof(H28D)=Sof(H28E)=
 Sof(H28F)=Sof(C29A)=Sof(C32A)=Sof(H32D)=Sof(H32E)=Sof(H32F)=Sof(C30A)=
 Sof(H30D)=Sof(H30E)=Sof(H30F)=Sof(C31A)=Sof(H31D)=Sof(H31E)=Sof(H31F)=1-FVAR(4)
 Sof(C17)=Sof(C18)=Sof(C19)=Sof(C20)=Sof(H20)=Sof(C21)=Sof(C22)=Sof(H22)=
 Sof(C23)=Sof(C24)=Sof(H24)=Sof(C25)=Sof(C26)=Sof(H26A)=Sof(H26B)=Sof(H26C)=
 Sof(C27)=Sof(H27A)=Sof(H27B)=Sof(H27C)=Sof(C28)=Sof(H28A)=Sof(H28B)=Sof(H28C)=
 Sof(C29)=Sof(C30)=Sof(H30A)=Sof(H30B)=Sof(H30C)=Sof(C31)=Sof(H31A)=Sof(H31B)=
 Sof(H31C)=Sof(C32)=Sof(H32A)=Sof(H32B)=Sof(H32C)=FVAR(4)
8.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C6(H6), C8(H8), C20(H20), C22(H22), C24(H24), C36(H36), C38(H38),
 C40(H40), C48(H48), C46(H46), C44(H44), C74(H74), C76(H76), C78(H78)
8.b Fitted hexagon refined as free rotating group:
 C43(C48,C47,C46,C45,C44)
8.c Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C14(H14A,H14B,
 H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C26(H26A,H26B,H26C), C27(H27A,
 H27B,H27C), C28(H28A,H28B,H28C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C),
 C32(H32A,H32B,H32C), C52(H52A,H52B,H52C), C53(H53A,H53B,H53C), C54(H54A,H54B,
 H54C), C56(H56A,H56B,H56C), C57(H57A,H57B,H57C), C58(H58A,H58B,H58C), C63(H63A,
 H63B,H63C), C62(H62A,H62B,H62C), C64(H64A,H64B,H64C), C68(H68A,H68B,H68C),
 C66(H66A,H66B,H66C), C67(H67A,H67B,H67C), C12A(H12D,H12E,H12F), C11A(H11D,H11E,
 H11F), C10A(H10D,H10E,H10F), C14A(H14D,H14E,H14F), C16A(H16D,H16E,H16F),
 C15A(H15D,H15E,H15F), C27A(H27D,H27E,H27F), C26A(H26D,H26E,H26F), C28A(H28D,
 H28E,H28F), C32A(H32D,H32E,H32F), C30A(H30D,H30E,H30F), C31A(H31D,H31E,H31F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3154(2) 0.6335(2) 0.16312(12) 0.0874(16) Uani 1 1 d D U . . .
C2 C 0.3577(2) 0.6486(2) 0.15738(12) 0.0836(16) Uani 1 1 d D U . . .
C3 C 0.4113(2) 0.6665(2) 0.15684(10) 0.0938(15) Uani 1 1 d D U . . .
C4 C 0.4351(2) 0.6798(3) 0.13459(12) 0.1039(18) Uani 1 1 d D U . . .
H4 H 0.4159 0.6762 0.1193 0.125 Uiso 1 1 calc R . . . .
C5 C 0.4863(2) 0.6984(3) 0.13371(10) 0.1171(15) Uani 1 1 d D U . . .
C6 C 0.5145(3) 0.7007(3) 0.15701(12) 0.1156(19) Uani 1 1 d D U . . .
H6 H 0.5503 0.7110 0.1571 0.139 Uiso 1 1 calc R . . . .
C7 C 0.4913(2) 0.6885(3) 0.17956(11) 0.1112(17) Uani 1 1 d D U . . .
C8 C 0.4401(2) 0.6710(3) 0.17979(12) 0.0998(18) Uani 1 1 d D U . . .
H8 H 0.4245 0.6620 0.1952 0.120 Uiso 1 1 calc R . . . .
C9 C 0.5236(3) 0.6915(2) 0.20503(14) 0.1290(19) Uani 1 1 d D U . . .
C10 C 0.4888(6) 0.6842(7) 0.2284(2) 0.141(4) Uani 0.538(8) 1 d D U . A 1
H10A H 0.4555 0.7006 0.2268 0.212 Uiso 0.538(8) 1 calc GR . . A 1
H10B H 0.5082 0.6936 0.2435 0.212 Uiso 0.538(8) 1 calc GR . . A 1
H10C H 0.4803 0.6536 0.2299 0.212 Uiso 0.538(8) 1 calc GR . . A 1
C11 C 0.5419(7) 0.7383(4) 0.2098(3) 0.149(4) Uani 0.538(8) 1 d D U . A 1
H11A H 0.5695 0.7461 0.1976 0.224 Uiso 0.538(8) 1 calc GR . . A 1
H11B H 0.5564 0.7407 0.2269 0.224 Uiso 0.538(8) 1 calc GR . . A 1
H11C H 0.5112 0.7576 0.2080 0.224 Uiso 0.538(8) 1 calc GR . . A 1
C12 C 0.5733(5) 0.6629(5) 0.2043(3) 0.148(4) Uani 0.538(8) 1 d D U . A 1
H12A H 0.5623 0.6328 0.2045 0.221 Uiso 0.538(8) 1 calc GR . . A 1
H12B H 0.5958 0.6689 0.2190 0.221 Uiso 0.538(8) 1 calc GR . . A 1
H12C H 0.5936 0.6687 0.1889 0.221 Uiso 0.538(8) 1 calc GR . . A 1
C13 C 0.5198(4) 0.7023(3) 0.10879(18) 0.1265(14) Uani 0.528(8) 1 d D U . B 1
C14 C 0.5648(4) 0.6683(4) 0.1075(3) 0.138(3) Uani 0.528(8) 1 d D U . B 1
H14A H 0.5674 0.6535 0.1237 0.208 Uiso 0.528(8) 1 calc GR . . B 1
H14B H 0.5990 0.6824 0.1037 0.208 Uiso 0.528(8) 1 calc GR . . B 1
H14C H 0.5566 0.6476 0.0942 0.208 Uiso 0.528(8) 1 calc GR . . B 1
C15 C 0.5451(6) 0.7479(3) 0.1076(3) 0.136(3) Uani 0.528(8) 1 d D U . B 1
H15A H 0.5167 0.7695 0.1084 0.204 Uiso 0.528(8) 1 calc GR . . B 1
H15B H 0.5650 0.7511 0.0917 0.204 Uiso 0.528(8) 1 calc GR . . B 1
H15C H 0.5696 0.7518 0.1218 0.204 Uiso 0.528(8) 1 calc GR . . B 1
C16 C 0.4843(5) 0.6969(6) 0.0849(2) 0.136(3) Uani 0.528(8) 1 d D U . B 1
H16A H 0.4657 0.6693 0.0857 0.204 Uiso 0.528(8) 1 calc GR . . B 1
H16B H 0.5068 0.6980 0.0698 0.204 Uiso 0.528(8) 1 calc GR . . B 1
H16C H 0.4579 0.7201 0.0843 0.204 Uiso 0.528(8) 1 calc GR . . B 1
C17 C 0.1811(2) 0.5724(3) 0.18572(13) 0.1029(13) Uani 0.399(5) 1 d D U . C 1
C18 C 0.1438(2) 0.5544(2) 0.19517(11) 0.1042(11) Uani 0.399(5) 1 d D U . C 1
C19 C 0.1108(3) 0.5299(3) 0.21229(15) 0.1101(13) Uani 0.399(5) 1 d D U . C 1
C20 C 0.1350(4) 0.5074(3) 0.23183(14) 0.1147(15) Uani 0.399(5) 1 d D U . C 1
H20 H 0.1725 0.5098 0.2342 0.138 Uiso 0.399(5) 1 calc R . . C 1
C21 C 0.1053(3) 0.4811(3) 0.24828(15) 0.1244(13) Uani 0.399(5) 1 d D U . C 1
C22 C 0.0493(3) 0.4778(4) 0.2435(2) 0.1252(15) Uani 0.399(5) 1 d D U . C 1
H22 H 0.0288 0.4590 0.2538 0.150 Uiso 0.399(5) 1 calc R . . C 1
C23 C 0.0229(3) 0.5004(4) 0.22478(18) 0.1267(13) Uani 0.399(5) 1 d D U . C 1
C24 C 0.0541(3) 0.5263(4) 0.2090(2) 0.1167(15) Uani 0.399(5) 1 d D U . C 1
H24 H 0.0372 0.5419 0.1958 0.140 Uiso 0.399(5) 1 calc R . . C 1
C25 C -0.0390(4) 0.5006(3) 0.2217(2) 0.1387(17) Uani 0.399(5) 1 d D U . C 1
C26 C -0.0608(7) 0.5441(4) 0.2309(3) 0.153(3) Uani 0.399(5) 1 d D U . C 1
H26A H -0.0668 0.5429 0.2492 0.230 Uiso 0.399(5) 1 calc GR . . C 1
H26B H -0.0946 0.5504 0.2223 0.230 Uiso 0.399(5) 1 calc GR . . C 1
H26C H -0.0347 0.5666 0.2272 0.230 Uiso 0.399(5) 1 calc GR . . C 1
C27 C -0.0616(7) 0.4597(4) 0.2340(3) 0.154(5) Uani 0.399(5) 1 d D U . C 1
H27A H -0.0661 0.4375 0.2211 0.231 Uiso 0.399(5) 1 calc GR . . C 1
H27B H -0.0964 0.4660 0.2417 0.231 Uiso 0.399(5) 1 calc GR . . C 1
H27C H -0.0368 0.4495 0.2470 0.231 Uiso 0.399(5) 1 calc GR . . C 1
C28 C -0.0542(8) 0.4955(7) 0.19354(19) 0.156(4) Uani 0.399(5) 1 d D U . C 1
H28A H -0.0534 0.5236 0.1853 0.234 Uiso 0.399(5) 1 calc GR . . C 1
H28B H -0.0902 0.4834 0.1922 0.234 Uiso 0.399(5) 1 calc GR . . C 1
H28C H -0.0285 0.4764 0.1853 0.234 Uiso 0.399(5) 1 calc GR . . C 1
C29 C 0.1342(4) 0.4530(3) 0.26807(19) 0.1343(16) Uani 0.399(5) 1 d D U . C 1
C30 C 0.1323(9) 0.4058(3) 0.2592(3) 0.146(4) Uani 0.399(5) 1 d D U . C 1
H30A H 0.0950 0.3961 0.2586 0.220 Uiso 0.399(5) 1 calc GR . . C 1
H30B H 0.1525 0.3878 0.2710 0.220 Uiso 0.399(5) 1 calc GR . . C 1
H30C H 0.1482 0.4035 0.2423 0.220 Uiso 0.399(5) 1 calc GR . . C 1
C31 C 0.1067(6) 0.4577(7) 0.2943(2) 0.147(3) Uani 0.399(5) 1 d D U . C 1
H31A H 0.1096 0.4875 0.3000 0.221 Uiso 0.399(5) 1 calc GR . . C 1
H31B H 0.1243 0.4388 0.3065 0.221 Uiso 0.399(5) 1 calc GR . . C 1
H31C H 0.0688 0.4498 0.2928 0.221 Uiso 0.399(5) 1 calc GR . . C 1
C32 C 0.1924(4) 0.4694(6) 0.2721(4) 0.148(3) Uani 0.399(5) 1 d D U . C 1
H32A H 0.2179 0.4471 0.2672 0.222 Uiso 0.399(5) 1 calc GR . . C 1
H32B H 0.1977 0.4765 0.2900 0.222 Uiso 0.399(5) 1 calc GR . . C 1
H32C H 0.1984 0.4951 0.2618 0.222 Uiso 0.399(5) 1 calc GR . . C 1
C33 C 0.0609(5) 0.5629(2) 0.1341(2) 0.1606(15) Uani 0.421(5) 1 d D U . C 1
C34 C 0.0558(7) 0.5267(2) 0.1404(2) 0.1697(12) Uani 0.421(5) 1 d D U . C 1
C35 C 0.0359(3) 0.4874(2) 0.15142(12) 0.1830(14) Uani 0.421(5) 1 d D U . C 1
C36 C 0.0708(4) 0.4566(3) 0.1607(2) 0.1898(16) Uani 0.421(5) 1 d D U . C 1
H36 H 0.1082 0.4618 0.1600 0.228 Uiso 0.421(5) 1 calc R . . C 1
C37 C 0.0520(3) 0.4178(3) 0.1712(3) 0.2003(14) Uani 0.421(5) 1 d D U . C 1
C38 C -0.0048(3) 0.4132(4) 0.1731(3) 0.2054(17) Uani 0.421(5) 1 d D U . C 1
H38 H -0.0183 0.3889 0.1817 0.246 Uiso 0.421(5) 1 calc R . . C 1
C39 C -0.0417(3) 0.4419(3) 0.1631(3) 0.207(2) Uani 0.421(5) 1 d D U . C 1
C40 C -0.0208(3) 0.4797(3) 0.1525(3) 0.193(2) Uani 0.421(5) 1 d D U . C 1
H40 H -0.0447 0.5006 0.1459 0.232 Uiso 0.421(5) 1 calc R . . C 1
C41 C 0.0609(5) 0.5629(2) 0.1341(2) 0.1606(15) Uani 0.579(5) 1 d D U . C 2
C42 C 0.0647(5) 0.5258(2) 0.1380(3) 0.1697(12) Uani 0.579(5) 1 d D U . C 2
C43 C 0.0482(3) 0.48171(19) 0.13669(13) 0.1832(13) Uani 0.579(5) 1 d D U . C 2
C48 C 0.0190(5) 0.4673(3) 0.11571(16) 0.194(2) Uani 0.579(5) 1 d DG U . C 2
H48 H 0.0102 0.4866 0.1025 0.233 Uiso 0.579(5) 1 calc R . . C 2
C47 C 0.0027(6) 0.4243(3) 0.1143(2) 0.205(2) Uani 0.579(5) 1 d DG U . C 2
C46 C 0.0156(6) 0.3957(2) 0.1338(2) 0.201(2) Uani 0.579(5) 1 d DG U . C 2
H46 H 0.0046 0.3667 0.1328 0.241 Uiso 0.579(5) 1 calc R . . C 2
C45 C 0.0449(6) 0.4102(2) 0.15478(19) 0.2005(13) Uani 0.579(5) 1 d DG U . C 2
C44 C 0.0611(4) 0.4532(2) 0.15623(15) 0.1899(16) Uani 0.579(5) 1 d DG U . C 2
H44 H 0.0809 0.4629 0.1704 0.228 Uiso 0.579(5) 1 calc R . . C 2
C51 C 0.0974(4) 0.3863(3) 0.1785(2) 0.2065(17) Uani 0.421(5) 1 d D U . C 1
C52 C 0.1083(10) 0.3512(4) 0.1580(3) 0.216(4) Uani 0.421(5) 1 d D U . C 1
H52A H 0.0774 0.3491 0.1467 0.325 Uiso 0.421(5) 1 calc GR . . C 1
H52B H 0.1143 0.3235 0.1662 0.325 Uiso 0.421(5) 1 calc GR . . C 1
H52C H 0.1402 0.3591 0.1482 0.325 Uiso 0.421(5) 1 calc GR . . C 1
C53 C 0.0843(10) 0.3630(6) 0.2041(2) 0.217(4) Uani 0.421(5) 1 d D U . C 1
H53A H 0.1018 0.3349 0.2043 0.326 Uiso 0.421(5) 1 calc GR . . C 1
H53B H 0.0455 0.3592 0.2056 0.326 Uiso 0.421(5) 1 calc GR . . C 1
H53C H 0.0975 0.3803 0.2182 0.326 Uiso 0.421(5) 1 calc GR . . C 1
C54 C 0.1521(5) 0.4094(5) 0.1808(5) 0.217(6) Uani 0.421(5) 1 d D U . C 1
H54A H 0.1790 0.3940 0.1708 0.325 Uiso 0.421(5) 1 calc GR . . C 1
H54B H 0.1632 0.4099 0.1985 0.325 Uiso 0.421(5) 1 calc GR . . C 1
H54C H 0.1487 0.4388 0.1745 0.325 Uiso 0.421(5) 1 calc GR . . C 1
C55 C -0.0310(4) 0.4159(3) 0.0901(2) 0.217(3) Uani 0.579(5) 1 d D U . C 2
C56 C -0.0884(4) 0.4341(6) 0.0915(4) 0.228(6) Uani 0.579(5) 1 d D U . C 2
H56A H -0.1114 0.4140 0.1007 0.342 Uiso 0.579(5) 1 calc GR . . C 2
H56B H -0.1025 0.4382 0.0745 0.342 Uiso 0.579(5) 1 calc GR . . C 2
H56C H -0.0879 0.4616 0.1004 0.342 Uiso 0.579(5) 1 calc GR . . C 2
C57 C -0.0348(10) 0.3664(3) 0.0865(4) 0.229(6) Uani 0.579(5) 1 d D U . C 2
H57A H 0.0012 0.3541 0.0866 0.343 Uiso 0.579(5) 1 calc GR . . C 2
H57B H -0.0523 0.3601 0.0703 0.343 Uiso 0.579(5) 1 calc GR . . C 2
H57C H -0.0559 0.3540 0.1003 0.343 Uiso 0.579(5) 1 calc GR . . C 2
C58 C -0.0056(7) 0.4365(6) 0.0664(2) 0.232(6) Uani 0.579(5) 1 d D U . C 2
H58A H 0.0318 0.4271 0.0649 0.348 Uiso 0.579(5) 1 calc GR . . C 2
H58B H -0.0068 0.4677 0.0679 0.348 Uiso 0.579(5) 1 calc GR . . C 2
H58C H -0.0255 0.4276 0.0514 0.348 Uiso 0.579(5) 1 calc GR . . C 2
Cu1 Cu 0.12647(4) 0.56540(3) 0.15684(2) 0.0948(3) Uani 1 1 d . U . . .
Cu2 Cu 0.31420(5) 0.6250 0.1250 0.0763(3) Uani 1 2 d S TU P C .
Au1 Au 0.24665(2) 0.60392(2) 0.17284(2) 0.08533(9) Uani 1 1 d . U . . .
Au2 Au 0.18871(2) 0.6250 0.1250 0.08657(12) Uani 1 2 d S TU P C .
C63 C -0.1413(6) 0.4619(4) 0.1714(5) 0.220(7) Uani 0.421(5) 1 d D U . C 1
H63A H -0.1228 0.4890 0.1746 0.329 Uiso 0.421(5) 1 calc GR . . C 1
H63B H -0.1657 0.4557 0.1853 0.329 Uiso 0.421(5) 1 calc GR . . C 1
H63C H -0.1618 0.4642 0.1556 0.329 Uiso 0.421(5) 1 calc GR . . C 1
C62 C -0.1172(9) 0.3932(5) 0.1480(3) 0.227(7) Uani 0.421(5) 1 d D U . C -1
H62A H -0.1143 0.4070 0.1315 0.341 Uiso 0.421(5) 1 calc GR . . C -1
H62B H -0.1544 0.3847 0.1510 0.341 Uiso 0.421(5) 1 calc GR . . C -1
H62C H -0.0942 0.3678 0.1485 0.341 Uiso 0.421(5) 1 calc GR . . C -1
C61 C -0.0994(4) 0.4251(3) 0.1689(2) 0.220(3) Uani 0.421(5) 1 d D U . . .
C64 C -0.0971(11) 0.3990(5) 0.1939(2) 0.244(7) Uani 0.421(5) 1 d D U . C -1
H64A H -0.0955 0.3684 0.1899 0.366 Uiso 0.421(5) 1 calc GR . . C -1
H64B H -0.1291 0.4050 0.2039 0.366 Uiso 0.421(5) 1 calc GR . . C -1
H64C H -0.0651 0.4072 0.2034 0.366 Uiso 0.421(5) 1 calc GR . . C -1
C68 C 0.0688(8) 0.3901(6) 0.2012(2) 0.218(3) Uani 0.579(5) 1 d D U . C 2
H68A H 0.0537 0.4182 0.2054 0.327 Uiso 0.579(5) 1 calc GR . . C 2
H68B H 0.1079 0.3921 0.2005 0.327 Uiso 0.579(5) 1 calc GR . . C 2
H68C H 0.0584 0.3692 0.2142 0.327 Uiso 0.579(5) 1 calc GR . . C 2
C65 C 0.0474(4) 0.3756(3) 0.17555(18) 0.2084(15) Uani 0.579(5) 1 d D U . C 2
C66 C 0.0719(7) 0.3332(4) 0.1650(3) 0.218(4) Uani 0.579(5) 1 d D U . C 2
H66A H 0.0976 0.3216 0.1772 0.327 Uiso 0.579(5) 1 calc GR . . C 2
H66B H 0.0903 0.3391 0.1490 0.327 Uiso 0.579(5) 1 calc GR . . C 2
H66C H 0.0433 0.3123 0.1621 0.327 Uiso 0.579(5) 1 calc GR . . C 2
C67 C -0.0136(4) 0.3624(6) 0.1786(4) 0.228(5) Uani 0.579(5) 1 d D U . C 2
H67A H -0.0246 0.3664 0.1962 0.341 Uiso 0.579(5) 1 calc GR . . C 2
H67B H -0.0181 0.3323 0.1739 0.341 Uiso 0.579(5) 1 calc GR . . C 2
H67C H -0.0358 0.3804 0.1677 0.341 Uiso 0.579(5) 1 calc GR . . C 2
C12A C 0.5800(4) 0.7099(7) 0.2002(4) 0.147(4) Uani 0.462(8) 1 d D U . A 2
H12D H 0.5986 0.6921 0.1878 0.221 Uiso 0.462(8) 1 calc GR . . A 2
H12E H 0.6003 0.7100 0.2160 0.221 Uiso 0.462(8) 1 calc GR . . A 2
H12F H 0.5769 0.7392 0.1938 0.221 Uiso 0.462(8) 1 calc GR . . A 2
C11A C 0.4927(7) 0.7220(5) 0.2226(3) 0.149(4) Uani 0.462(8) 1 d D U . A 2
H11D H 0.4770 0.7453 0.2127 0.224 Uiso 0.462(8) 1 calc GR . . A 2
H11E H 0.5173 0.7340 0.2352 0.224 Uiso 0.462(8) 1 calc GR . . A 2
H11F H 0.4642 0.7061 0.2312 0.224 Uiso 0.462(8) 1 calc GR . . A 2
C10A C 0.5341(8) 0.6455(4) 0.2146(3) 0.139(4) Uani 0.462(8) 1 d D U . A 2
H10D H 0.4999 0.6318 0.2188 0.209 Uiso 0.462(8) 1 calc GR . . A 2
H10E H 0.5569 0.6465 0.2296 0.209 Uiso 0.462(8) 1 calc GR . . A 2
H10F H 0.5520 0.6290 0.2013 0.209 Uiso 0.462(8) 1 calc GR . . A 2
C13A C 0.5069(4) 0.7200(3) 0.10917(19) 0.1265(14) Uani 0.472(8) 1 d D U . B 2
C14A C 0.4682(5) 0.7523(4) 0.0968(3) 0.138(3) Uani 0.472(8) 1 d D U . B 2
H14D H 0.4374 0.7369 0.0898 0.208 Uiso 0.472(8) 1 calc GR . . B 2
H14E H 0.4868 0.7678 0.0833 0.208 Uiso 0.472(8) 1 calc GR . . B 2
H14F H 0.4557 0.7728 0.1096 0.208 Uiso 0.472(8) 1 calc GR . . B 2
C16A C 0.5149(7) 0.6824(4) 0.0904(2) 0.132(3) Uani 0.472(8) 1 d D U . B 2
H16D H 0.5487 0.6678 0.0941 0.198 Uiso 0.472(8) 1 calc GR . . B 2
H16E H 0.5158 0.6936 0.0731 0.198 Uiso 0.472(8) 1 calc GR . . B 2
H16F H 0.4852 0.6621 0.0920 0.198 Uiso 0.472(8) 1 calc GR . . B 2
C15A C 0.5633(4) 0.7396(5) 0.1142(3) 0.133(4) Uani 0.472(8) 1 d D U . B 2
H15D H 0.5600 0.7635 0.1261 0.200 Uiso 0.472(8) 1 calc GR . . B 2
H15E H 0.5784 0.7500 0.0983 0.200 Uiso 0.472(8) 1 calc GR . . B 2
H15F H 0.5868 0.7176 0.1213 0.200 Uiso 0.472(8) 1 calc GR . . B 2
C71 C 0.1811(2) 0.5724(3) 0.18572(13) 0.1029(13) Uani 0.601(5) 1 d D U . C 2
C72 C 0.1438(2) 0.5544(2) 0.19517(11) 0.1042(11) Uani 0.601(5) 1 d D U . C 2
C73 C 0.1135(3) 0.5308(3) 0.21363(13) 0.1096(13) Uani 0.601(5) 1 d D U . C 2
C74 C 0.1412(3) 0.5053(2) 0.23060(13) 0.1138(15) Uani 0.601(5) 1 d D U . C 2
H74 H 0.1787 0.5016 0.2285 0.137 Uiso 0.601(5) 1 calc R . . C 2
C75 C 0.1155(3) 0.4851(3) 0.25074(14) 0.1239(13) Uani 0.601(5) 1 d D U . C 2
C76 C 0.0597(3) 0.4924(4) 0.25311(18) 0.1246(15) Uani 0.601(5) 1 d D U . C 2
H76 H 0.0415 0.4793 0.2668 0.149 Uiso 0.601(5) 1 calc R . . C 2
C77 C 0.0301(3) 0.5173(3) 0.23676(15) 0.1255(13) Uani 0.601(5) 1 d D U . C 2
C78 C 0.0572(3) 0.5365(4) 0.21662(17) 0.1167(15) Uani 0.601(5) 1 d D U . C 2
H78 H 0.0379 0.5534 0.2048 0.140 Uiso 0.601(5) 1 calc R . . C 2
C25A C -0.0304(4) 0.5220(3) 0.24022(17) 0.1391(17) Uani 0.601(5) 1 d D U . C 2
C27A C -0.0580(5) 0.4791(3) 0.2469(3) 0.162(4) Uani 0.601(5) 1 d D U . C 2
H27D H -0.0453 0.4567 0.2354 0.244 Uiso 0.601(5) 1 calc GR . . C 2
H27E H -0.0968 0.4823 0.2452 0.244 Uiso 0.601(5) 1 calc GR . . C 2
H27F H -0.0492 0.4712 0.2643 0.244 Uiso 0.601(5) 1 calc GR . . C 2
C26A C -0.0415(7) 0.5473(5) 0.2651(2) 0.174(4) Uani 0.601(5) 1 d D U . C 2
H26D H -0.0444 0.5271 0.2792 0.261 Uiso 0.601(5) 1 calc GR . . C 2
H26E H -0.0750 0.5633 0.2634 0.261 Uiso 0.601(5) 1 calc GR . . C 2
H26F H -0.0119 0.5672 0.2683 0.261 Uiso 0.601(5) 1 calc GR . . C 2
C28A C -0.0552(5) 0.5432(5) 0.21671(19) 0.152(3) Uani 0.601(5) 1 d D U . C 2
H28D H -0.0268 0.5563 0.2065 0.228 Uiso 0.601(5) 1 calc GR . . C 2
H28E H -0.0806 0.5654 0.2220 0.228 Uiso 0.601(5) 1 calc GR . . C 2
H28F H -0.0740 0.5215 0.2067 0.228 Uiso 0.601(5) 1 calc GR . . C 2
C29A C 0.1456(4) 0.4590(3) 0.27088(17) 0.1342(16) Uani 0.601(5) 1 d D U . C 2
C32A C 0.1998(4) 0.4430(5) 0.2605(2) 0.142(3) Uani 0.601(5) 1 d D U . C 2
H32D H 0.1943 0.4295 0.2441 0.212 Uiso 0.601(5) 1 calc GR . . C 2
H32E H 0.2151 0.4221 0.2723 0.212 Uiso 0.601(5) 1 calc GR . . C 2
H32F H 0.2243 0.4673 0.2587 0.212 Uiso 0.601(5) 1 calc GR . . C 2
C30A C 0.1119(5) 0.4186(3) 0.2772(3) 0.142(3) Uani 0.601(5) 1 d D U . C 2
H30D H 0.0781 0.4272 0.2851 0.213 Uiso 0.601(5) 1 calc GR . . C 2
H30E H 0.1320 0.4002 0.2888 0.213 Uiso 0.601(5) 1 calc GR . . C 2
H30F H 0.1043 0.4028 0.2616 0.213 Uiso 0.601(5) 1 calc GR . . C 2
C31A C 0.1492(7) 0.4869(4) 0.29487(19) 0.155(3) Uani 0.601(5) 1 d D U . C 2
H31D H 0.1769 0.5088 0.2926 0.233 Uiso 0.601(5) 1 calc GR . . C 2
H31E H 0.1584 0.4688 0.3094 0.233 Uiso 0.601(5) 1 calc GR . . C 2
H31F H 0.1146 0.5008 0.2979 0.233 Uiso 0.601(5) 1 calc GR . . C 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.185(7) . ?
C1 Cu2 2.018(7) . ?
C1 Au1 1.996(6) . ?
C2 C3 1.435(7) . ?
C2 Cu2 2.139(6) . ?
C3 C4 1.370(8) . ?
C3 C8 1.406(8) . ?
C4 H4 0.9400 . ?
C4 C5 1.391(8) . ?
C5 C6 1.409(8) . ?
C5 C13 1.553(10) . ?
C5 C13A 1.539(11) . ?
C6 H6 0.9400 . ?
C6 C7 1.368(8) . ?
C7 C8 1.377(8) . ?
C7 C9 1.559(9) . ?
C8 H8 0.9400 . ?
C9 C10 1.514(12) . ?
C9 C11 1.535(12) . ?
C9 C12 1.515(12) . ?
C9 C12A 1.526(12) . ?
C9 C11A 1.524(13) . ?
C9 C10A 1.529(12) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 H10C 0.9700 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 H11C 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 H12C 0.9700 . ?
C13 C14 1.532(12) . ?
C13 C15 1.544(12) . ?
C13 C16 1.537(12) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 H14C 0.9700 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 H15C 0.9700 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 H16C 0.9700 . ?
C17 C18 1.186(7) . ?
C17 Cu1 2.041(7) . ?
C17 Au1 2.009(6) . ?
C18 C19 1.430(9) . ?
C18 Cu1 2.084(6) . ?
C19 C20 1.376(10) . ?
C19 C24 1.417(9) . ?
C20 H20 0.9400 . ?
C20 C21 1.394(10) . ?
C21 C22 1.410(10) . ?
C21 C29 1.531(11) . ?
C22 H22 0.9400 . ?
C22 C23 1.370(12) . ?
C23 C24 1.387(11) . ?
C23 C25 1.539(11) . ?
C24 H24 0.9400 . ?
C25 C26 1.527(13) . ?
C25 C27 1.524(13) . ?
C25 C28 1.533(13) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C26 H26C 0.9700 . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 H27C 0.9700 . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 H28C 0.9700 . ?
C29 C30 1.532(13) . ?
C29 C31 1.540(13) . ?
C29 C32 1.541(13) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 H30C 0.9700 . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C31 H31C 0.9700 . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C32 H32C 0.9700 . ?
C33 C34 1.174(9) . ?
C33 Cu1 2.013(13) . ?
C33 Au2 1.979(7) 3 ?
C34 C35 1.431(10) . ?
C34 Cu1 2.285(14) . ?
C35 C36 1.374(10) . ?
C35 C40 1.422(10) . ?
C36 H36 0.9400 . ?
C36 C37 1.400(11) . ?
C37 C38 1.415(10) . ?
C37 C51 1.535(12) . ?
C38 H38 0.9400 . ?
C38 C39 1.376(12) . ?
C39 C40 1.392(12) . ?
C39 C61 1.547(12) . ?
C40 H40 0.9400 . ?
C41 C42 1.168(9) . ?
C41 Cu1 2.013(13) . ?
C41 Au2 1.979(7) 3 ?
C42 C43 1.424(9) . ?
C42 Cu1 2.192(12) . ?
C43 C48 1.3900 . ?
C43 C44 1.3900 . ?
C48 H48 0.9400 . ?
C48 C47 1.3900 . ?
C47 C46 1.3900 . ?
C47 C55 1.540(12) . ?
C46 H46 0.9400 . ?
C46 C45 1.3900 . ?
C45 C44 1.3900 . ?
C45 C65 1.527(10) . ?
C44 H44 0.9400 . ?
C51 C52 1.550(14) . ?
C51 C53 1.557(14) . ?
C51 C54 1.534(13) . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
C52 H52C 0.9700 . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C53 H53C 0.9700 . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
C54 H54C 0.9700 . ?
C55 C56 1.529(13) . ?
C55 C57 1.544(12) . ?
C55 C58 1.530(13) . ?
C56 H56A 0.9700 . ?
C56 H56B 0.9700 . ?
C56 H56C 0.9700 . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
C57 H57C 0.9700 . ?
C58 H58A 0.9700 . ?
C58 H58B 0.9700 . ?
C58 H58C 0.9700 . ?
Cu1 Au2 2.9243(10) . ?
Cu1 Au2 2.9632(10) 3 ?
Cu1 C71 2.041(7) . ?
Cu1 C72 2.084(6) . ?
Cu2 C1 2.018(7) 2_565 ?
Cu2 C2 2.139(6) 2_565 ?
Cu2 Au1 3.0843(7) . ?
Cu2 Au1 3.0843(7) 2_565 ?
Cu2 Au2 3.1023(12) . ?
Au1 Au2 2.9626(3) . ?
Au1 C71 2.009(6) . ?
Au2 C33 1.979(7) 4_565 ?
Au2 C33 1.979(7) 3 ?
Au2 C41 1.979(7) 3 ?
Au2 C41 1.979(7) 4_565 ?
Au2 Cu1 2.9631(10) 4_565 ?
Au2 Cu1 2.9242(10) 2_565 ?
Au2 Cu1 2.9631(10) 3 ?
Au2 Au1 2.9625(3) 2_565 ?
Au2 Au2 3.1497(8) 3 ?
C63 H63A 0.9700 . ?
C63 H63B 0.9700 . ?
C63 H63C 0.9700 . ?
C63 C61 1.544(14) . ?
C62 H62A 0.9700 . ?
C62 H62B 0.9700 . ?
C62 H62C 0.9700 . ?
C62 C61 1.539(14) . ?
C61 C64 1.539(14) . ?
C64 H64A 0.9700 . ?
C64 H64B 0.9700 . ?
C64 H64C 0.9700 . ?
C68 H68A 0.9700 . ?
C68 H68B 0.9700 . ?
C68 H68C 0.9700 . ?
C68 C65 1.515(13) . ?
C65 C66 1.546(13) . ?
C65 C67 1.570(13) . ?
C66 H66A 0.9700 . ?
C66 H66B 0.9700 . ?
C66 H66C 0.9700 . ?
C67 H67A 0.9700 . ?
C67 H67B 0.9700 . ?
C67 H67C 0.9700 . ?
C12A H12D 0.9700 . ?
C12A H12E 0.9700 . ?
C12A H12F 0.9700 . ?
C11A H11D 0.9700 . ?
C11A H11E 0.9700 . ?
C11A H11F 0.9700 . ?
C10A H10D 0.9700 . ?
C10A H10E 0.9700 . ?
C10A H10F 0.9700 . ?
C13A C14A 1.527(13) . ?
C13A C16A 1.538(13) . ?
C13A C15A 1.540(12) . ?
C14A H14D 0.9700 . ?
C14A H14E 0.9700 . ?
C14A H14F 0.9700 . ?
C16A H16D 0.9700 . ?
C16A H16E 0.9700 . ?
C16A H16F 0.9700 . ?
C15A H15D 0.9700 . ?
C15A H15E 0.9700 . ?
C15A H15F 0.9700 . ?
C71 C72 1.186(7) . ?
C72 C73 1.424(8) . ?
C73 C74 1.371(9) . ?
C73 C78 1.412(9) . ?
C74 H74 0.9400 . ?
C74 C75 1.383(9) . ?
C75 C76 1.404(9) . ?
C75 C29A 1.523(11) . ?
C76 H76 0.9400 . ?
C76 C77 1.365(11) . ?
C77 C78 1.384(10) . ?
C77 C25A 1.513(10) . ?
C78 H78 0.9400 . ?
C25A C27A 1.530(12) . ?
C25A C26A 1.546(12) . ?
C25A C28A 1.526(12) . ?
C27A H27D 0.9700 . ?
C27A H27E 0.9700 . ?
C27A H27F 0.9700 . ?
C26A H26D 0.9700 . ?
C26A H26E 0.9700 . ?
C26A H26F 0.9700 . ?
C28A H28D 0.9700 . ?
C28A H28E 0.9700 . ?
C28A H28F 0.9700 . ?
C29A C32A 1.527(12) . ?
C29A C30A 1.538(12) . ?
C29A C31A 1.529(12) . ?
C32A H32D 0.9700 . ?
C32A H32E 0.9700 . ?
C32A H32F 0.9700 . ?
C30A H30D 0.9700 . ?
C30A H30E 0.9700 . ?
C30A H30F 0.9700 . ?
C31A H31D 0.9700 . ?
C31A H31E 0.9700 . ?
C31A H31F 0.9700 . ?

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
C2 C1 Cu2 79.2(5) . . ?
C2 C1 Au1 175.9(7) . . ?
Au1 C1 Cu2 100.4(3) . . ?
C1 C2 C3 166.3(7) . . ?
C1 C2 Cu2 67.9(4) . . ?
C3 C2 Cu2 125.4(4) . . ?
C4 C3 C2 121.9(5) . . ?
C4 C3 C8 118.9(5) . . ?
C8 C3 C2 119.2(5) . . ?
C3 C4 H4 118.6 . . ?
C3 C4 C5 122.9(6) . . ?
C5 C4 H4 118.6 . . ?
C4 C5 C6 116.3(6) . . ?
C4 C5 C13 123.1(6) . . ?
C4 C5 C13A 120.7(6) . . ?
C6 C5 C13 117.5(6) . . ?
C6 C5 C13A 122.6(6) . . ?
C5 C6 H6 119.0 . . ?
C7 C6 C5 121.9(6) . . ?
C7 C6 H6 119.0 . . ?
C6 C7 C8 120.1(6) . . ?
C6 C7 C9 120.7(6) . . ?
C8 C7 C9 119.1(6) . . ?
C3 C8 H8 120.1 . . ?
C7 C8 C3 119.8(6) . . ?
C7 C8 H8 120.1 . . ?
C10 C9 C7 113.2(7) . . ?
C10 C9 C11 100.1(11) . . ?
C10 C9 C12 113.2(11) . . ?
C11 C9 C7 110.3(8) . . ?
C12 C9 C7 111.0(8) . . ?
C12 C9 C11 108.3(9) . . ?
C12A C9 C7 110.3(9) . . ?
C12A C9 C10A 104.2(11) . . ?
C11A C9 C7 107.5(8) . . ?
C11A C9 C12A 109.1(11) . . ?
C11A C9 C10A 117.5(11) . . ?
C10A C9 C7 108.2(8) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C5 111.8(9) . . ?
C14 C13 C15 109.2(9) . . ?
C14 C13 C16 107.8(10) . . ?
C15 C13 C5 108.9(9) . . ?
C16 C13 C5 111.8(8) . . ?
C16 C13 C15 107.2(10) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 Cu1 75.3(4) . . ?
C18 C17 Au1 174.9(6) . . ?
Au1 C17 Cu1 109.6(3) . . ?
C17 C18 C19 162.6(7) . . ?
C17 C18 Cu1 71.3(4) . . ?
C19 C18 Cu1 125.2(5) . . ?
C20 C19 C18 119.3(7) . . ?
C20 C19 C24 118.8(8) . . ?
C24 C19 C18 121.8(7) . . ?
C19 C20 H20 119.1 . . ?
C19 C20 C21 121.9(8) . . ?
C21 C20 H20 119.1 . . ?
C20 C21 C22 116.6(8) . . ?
C20 C21 C29 120.3(7) . . ?
C22 C21 C29 122.6(8) . . ?
C21 C22 H22 118.0 . . ?
C23 C22 C21 123.9(9) . . ?
C23 C22 H22 118.0 . . ?
C22 C23 C24 117.3(7) . . ?
C22 C23 C25 123.3(8) . . ?
C24 C23 C25 119.2(8) . . ?
C19 C24 H24 119.3 . . ?
C23 C24 C19 121.4(8) . . ?
C23 C24 H24 119.3 . . ?
C26 C25 C23 108.6(10) . . ?
C26 C25 C28 108.0(12) . . ?
C27 C25 C23 108.6(10) . . ?
C27 C25 C26 117.9(11) . . ?
C27 C25 C28 103.5(11) . . ?
C28 C25 C23 110.1(10) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C21 C29 C30 108.6(10) . . ?
C21 C29 C31 110.2(10) . . ?
C21 C29 C32 110.0(10) . . ?
C30 C29 C31 110.4(12) . . ?
C30 C29 C32 112.7(12) . . ?
C31 C29 C32 105.0(11) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 Cu1 87.5(10) . . ?
C34 C33 Au2 173.6(13) . 3 ?
Au2 C33 Cu1 95.8(4) 3 . ?
C33 C34 C35 163.5(15) . . ?
C33 C34 Cu1 61.6(8) . . ?
C35 C34 Cu1 123.8(8) . . ?
C36 C35 C34 120.9(9) . . ?
C36 C35 C40 119.3(8) . . ?
C40 C35 C34 119.8(9) . . ?
C35 C36 H36 119.2 . . ?
C35 C36 C37 121.6(9) . . ?
C37 C36 H36 119.2 . . ?
C36 C37 C38 116.2(8) . . ?
C36 C37 C51 113.5(8) . . ?
C38 C37 C51 130.3(9) . . ?
C37 C38 H38 117.7 . . ?
C39 C38 C37 124.6(10) . . ?
C39 C38 H38 117.7 . . ?
C38 C39 C40 116.5(8) . . ?
C38 C39 C61 108.6(8) . . ?
C40 C39 C61 134.6(8) . . ?
C35 C40 H40 119.3 . . ?
C39 C40 C35 121.5(8) . . ?
C39 C40 H40 119.3 . . ?
C42 C41 Cu1 82.5(9) . . ?
C42 C41 Au2 173.7(13) . 3 ?
Au2 C41 Cu1 95.8(4) 3 . ?
C41 C42 C43 155.2(14) . . ?
C41 C42 Cu1 65.6(8) . . ?
C43 C42 Cu1 139.1(9) . . ?
C48 C43 C42 119.6(7) . . ?
C48 C43 C44 120.0 . . ?
C44 C43 C42 120.4(7) . . ?
C43 C48 H48 120.0 . . ?
C43 C48 C47 120.0 . . ?
C47 C48 H48 120.0 . . ?
C48 C47 C55 111.2(7) . . ?
C46 C47 C48 120.0 . . ?
C46 C47 C55 128.7(7) . . ?
C47 C46 H46 120.0 . . ?
C47 C46 C45 120.0 . . ?
C45 C46 H46 120.0 . . ?
C46 C45 C44 120.0 . . ?
C46 C45 C65 111.2(7) . . ?
C44 C45 C65 128.2(7) . . ?
C43 C44 H44 120.0 . . ?
C45 C44 C43 120.0 . . ?
C45 C44 H44 120.0 . . ?
C37 C51 C52 113.5(11) . . ?
C37 C51 C53 110.8(11) . . ?
C52 C51 C53 108.2(10) . . ?
C54 C51 C37 111.7(9) . . ?
C54 C51 C52 103.1(13) . . ?
C54 C51 C53 109.3(13) . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C51 C53 H53A 109.5 . . ?
C51 C53 H53B 109.5 . . ?
C51 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C51 C54 H54A 109.5 . . ?
C51 C54 H54B 109.5 . . ?
C51 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C47 C55 C57 107.5(11) . . ?
C56 C55 C47 113.5(11) . . ?
C56 C55 C57 108.2(12) . . ?
C56 C55 C58 105.7(12) . . ?
C58 C55 C47 112.2(10) . . ?
C58 C55 C57 109.7(12) . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C55 C58 H58A 109.5 . . ?
C55 C58 H58B 109.5 . . ?
C55 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C17 Cu1 C18 33.4(2) . . ?
C17 Cu1 C34 147.2(3) . . ?
C17 Cu1 Au2 135.5(2) . 3 ?
C17 Cu1 Au2 90.55(19) . . ?
C18 Cu1 C34 115.7(3) . . ?
C18 Cu1 Au2 139.23(19) . 3 ?
C18 Cu1 Au2 123.12(17) . . ?
C33 Cu1 C17 167.5(4) . . ?
C33 Cu1 C18 136.9(4) . . ?
C33 Cu1 C34 30.9(3) . . ?
C33 Cu1 Au2 41.63(19) . 3 ?
C33 Cu1 Au2 96.3(3) . . ?
C34 Cu1 Au2 72.4(2) . 3 ?
C34 Cu1 Au2 121.1(2) . . ?
C41 Cu1 C42 31.9(3) . . ?
C41 Cu1 Au2 41.63(19) . 3 ?
C41 Cu1 Au2 96.3(3) . . ?
C41 Cu1 C71 167.5(4) . . ?
C41 Cu1 C72 136.9(4) . . ?
C42 Cu1 Au2 73.4(3) . 3 ?
C42 Cu1 Au2 117.4(4) . . ?
Au2 Cu1 Au2 64.68(2) . 3 ?
C71 Cu1 C42 148.7(4) . . ?
C71 Cu1 Au2 135.5(2) . 3 ?
C71 Cu1 Au2 90.55(19) . . ?
C71 Cu1 C72 33.4(2) . . ?
C72 Cu1 C42 119.1(4) . . ?
C72 Cu1 Au2 139.23(19) . 3 ?
C72 Cu1 Au2 123.12(17) . . ?
C1 Cu2 C1 178.3(3) 2_565 . ?
C1 Cu2 C2 33.0(2) . . ?
C1 Cu2 C2 145.5(2) 2_565 . ?
C1 Cu2 C2 145.5(2) . 2_565 ?
C1 Cu2 C2 33.0(2) 2_565 2_565 ?
C1 Cu2 Au1 39.53(17) . . ?
C1 Cu2 Au1 39.53(17) 2_565 2_565 ?
C1 Cu2 Au1 141.90(19) 2_565 . ?
C1 Cu2 Au1 141.90(19) . 2_565 ?
C1 Cu2 Au2 90.83(17) . . ?
C1 Cu2 Au2 90.83(17) 2_565 . ?
C2 Cu2 C2 119.6(3) 2_565 . ?
C2 Cu2 Au1 72.43(15) . . ?
C2 Cu2 Au1 147.82(19) 2_565 . ?
C2 Cu2 Au1 147.82(18) . 2_565 ?
C2 Cu2 Au1 72.43(15) 2_565 2_565 ?
C2 Cu2 Au2 120.18(15) 2_565 . ?
C2 Cu2 Au2 120.18(15) . . ?
Au1 Cu2 Au1 114.44(4) 2_565 . ?
Au1 Cu2 Au2 57.221(18) 2_565 . ?
Au1 Cu2 Au2 57.222(18) . . ?
C1 Au1 C17 174.5(3) . . ?
C1 Au1 Cu2 40.05(19) . . ?
C1 Au1 Au2 95.41(19) . . ?
C1 Au1 C71 174.5(3) . . ?
C17 Au1 Cu2 144.4(2) . . ?
C17 Au1 Au2 90.11(19) . . ?
Au2 Au1 Cu2 61.69(2) . . ?
C71 Au1 Cu2 144.4(2) . . ?
C71 Au1 Au2 90.11(19) . . ?
C33 Au2 C33 179.4(8) 4_565 3 ?
C33 Au2 Cu1 137.9(4) 3 4_565 ?
C33 Au2 Cu1 137.9(4) 4_565 3 ?
C33 Au2 Cu1 61.9(4) 4_565 2_565 ?
C33 Au2 Cu1 118.4(3) 4_565 . ?
C33 Au2 Cu1 42.5(4) 3 3 ?
C33 Au2 Cu1 61.9(4) 3 . ?
C33 Au2 Cu1 42.5(4) 4_565 4_565 ?
C33 Au2 Cu1 118.4(3) 3 2_565 ?
C33 Au2 Cu2 89.7(4) 4_565 . ?
C33 Au2 Cu2 89.7(4) 3 . ?
C33 Au2 Au1 89.4(3) 3 . ?
C33 Au2 Au1 89.4(3) 4_565 2_565 ?
C33 Au2 Au1 90.3(4) 3 2_565 ?
C33 Au2 Au1 90.3(4) 4_565 . ?
C33 Au2 Au2 90.3(4) 3 3 ?
C33 Au2 Au2 90.3(4) 4_565 3 ?
C41 Au2 C41 179.4(8) 4_565 3 ?
C41 Au2 Cu1 118.4(3) 4_565 . ?
C41 Au2 Cu1 42.5(4) 3 3 ?
C41 Au2 Cu1 61.9(4) 3 . ?
C41 Au2 Cu1 42.5(4) 4_565 4_565 ?
C41 Au2 Cu1 118.4(3) 3 2_565 ?
C41 Au2 Cu1 137.9(4) 3 4_565 ?
C41 Au2 Cu1 137.9(4) 4_565 3 ?
C41 Au2 Cu1 61.9(4) 4_565 2_565 ?
C41 Au2 Cu2 89.7(4) 3 . ?
C41 Au2 Cu2 89.7(4) 4_565 . ?
C41 Au2 Au1 89.4(3) 3 . ?
C41 Au2 Au1 89.4(3) 4_565 2_565 ?
C41 Au2 Au1 90.3(4) 3 2_565 ?
C41 Au2 Au1 90.3(4) 4_565 . ?
C41 Au2 Au2 90.3(4) 4_565 3 ?
C41 Au2 Au2 90.3(4) 3 3 ?
Cu1 Au2 Cu1 77.49(4) 2_565 3 ?
Cu1 Au2 Cu1 77.49(4) . 4_565 ?
Cu1 Au2 Cu1 69.17(3) 2_565 4_565 ?
Cu1 Au2 Cu1 114.12(4) 3 4_565 ?
Cu1 Au2 Cu1 116.51(4) 2_565 . ?
Cu1 Au2 Cu1 69.17(3) . 3 ?
Cu1 Au2 Cu2 122.939(19) 4_565 . ?
Cu1 Au2 Cu2 122.939(19) 3 . ?
Cu1 Au2 Cu2 121.74(2) . . ?
Cu1 Au2 Cu2 121.74(2) 2_565 . ?
Cu1 Au2 Au1 151.28(2) . 2_565 ?
Cu1 Au2 Au1 68.396(19) 2_565 2_565 ?
Cu1 Au2 Au1 68.394(19) . . ?
Cu1 Au2 Au1 151.28(2) 2_565 . ?
Cu1 Au2 Au2 58.26(2) . 3 ?
Cu1 Au2 Au2 57.061(19) 4_565 3 ?
Cu1 Au2 Au2 58.26(2) 2_565 3 ?
Cu1 Au2 Au2 57.061(19) 3 3 ?
Cu2 Au2 Au2 180.0 . 3 ?
Au1 Au2 Cu1 127.15(2) 2_565 4_565 ?
Au1 Au2 Cu1 85.525(19) 2_565 3 ?
Au1 Au2 Cu1 127.15(2) . 3 ?
Au1 Au2 Cu1 85.524(19) . 4_565 ?
Au1 Au2 Cu2 61.083(9) 2_565 . ?
Au1 Au2 Cu2 61.084(9) . . ?
Au1 Au2 Au1 122.168(17) 2_565 . ?
Au1 Au2 Au2 118.916(9) . 3 ?
Au1 Au2 Au2 118.917(9) 2_565 3 ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C61 C63 H63A 109.5 . . ?
C61 C63 H63B 109.5 . . ?
C61 C63 H63C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
C63 C61 C39 112.8(9) . . ?
C62 C61 C39 109.8(11) . . ?
C62 C61 C63 109.9(12) . . ?
C62 C61 C64 106.3(10) . . ?
C64 C61 C39 108.0(12) . . ?
C64 C61 C63 109.9(13) . . ?
C61 C64 H64A 109.5 . . ?
C61 C64 H64B 109.5 . . ?
C61 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C65 C68 H68A 109.5 . . ?
C65 C68 H68B 109.5 . . ?
C65 C68 H68C 109.5 . . ?
C45 C65 C66 110.7(9) . . ?
C45 C65 C67 102.5(10) . . ?
C68 C65 C45 116.2(10) . . ?
C68 C65 C66 115.6(11) . . ?
C68 C65 C67 108.7(12) . . ?
C66 C65 C67 101.2(11) . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C65 C67 H67A 109.5 . . ?
C65 C67 H67B 109.5 . . ?
C65 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C9 C12A H12D 109.5 . . ?
C9 C12A H12E 109.5 . . ?
C9 C12A H12F 109.5 . . ?
H12D C12A H12E 109.5 . . ?
H12D C12A H12F 109.5 . . ?
H12E C12A H12F 109.5 . . ?
C9 C11A H11D 109.5 . . ?
C9 C11A H11E 109.5 . . ?
C9 C11A H11F 109.5 . . ?
H11D C11A H11E 109.5 . . ?
H11D C11A H11F 109.5 . . ?
H11E C11A H11F 109.5 . . ?
C9 C10A H10D 109.5 . . ?
C9 C10A H10E 109.5 . . ?
C9 C10A H10F 109.5 . . ?
H10D C10A H10E 109.5 . . ?
H10D C10A H10F 109.5 . . ?
H10E C10A H10F 109.5 . . ?
C5 C13A C15A 109.2(9) . . ?
C14A C13A C5 115.5(9) . . ?
C14A C13A C16A 107.6(10) . . ?
C14A C13A C15A 112.5(10) . . ?
C16A C13A C5 104.5(8) . . ?
C16A C13A C15A 106.9(10) . . ?
C13A C14A H14D 109.5 . . ?
C13A C14A H14E 109.5 . . ?
C13A C14A H14F 109.5 . . ?
H14D C14A H14E 109.5 . . ?
H14D C14A H14F 109.5 . . ?
H14E C14A H14F 109.5 . . ?
C13A C16A H16D 109.5 . . ?
C13A C16A H16E 109.5 . . ?
C13A C16A H16F 109.5 . . ?
H16D C16A H16E 109.5 . . ?
H16D C16A H16F 109.5 . . ?
H16E C16A H16F 109.5 . . ?
C13A C15A H15D 109.5 . . ?
C13A C15A H15E 109.5 . . ?
C13A C15A H15F 109.5 . . ?
H15D C15A H15E 109.5 . . ?
H15D C15A H15F 109.5 . . ?
H15E C15A H15F 109.5 . . ?
Au1 C71 Cu1 109.6(3) . . ?
C72 C71 Cu1 75.3(4) . . ?
C72 C71 Au1 174.9(6) . . ?
C71 C72 Cu1 71.3(4) . . ?
C71 C72 C73 158.9(7) . . ?
C73 C72 Cu1 129.2(5) . . ?
C74 C73 C72 118.2(6) . . ?
C74 C73 C78 119.4(7) . . ?
C78 C73 C72 122.0(7) . . ?
C73 C74 H74 119.1 . . ?
C73 C74 C75 121.8(7) . . ?
C75 C74 H74 119.1 . . ?
C74 C75 C76 116.5(7) . . ?
C74 C75 C29A 123.1(7) . . ?
C76 C75 C29A 120.2(7) . . ?
C75 C76 H76 117.9 . . ?
C77 C76 C75 124.1(8) . . ?
C77 C76 H76 117.9 . . ?
C76 C77 C78 117.5(7) . . ?
C76 C77 C25A 120.5(7) . . ?
C78 C77 C25A 121.9(7) . . ?
C73 C78 H78 119.7 . . ?
C77 C78 C73 120.6(7) . . ?
C77 C78 H78 119.7 . . ?
C77 C25A C27A 112.7(9) . . ?
C77 C25A C26A 109.0(9) . . ?
C77 C25A C28A 110.0(8) . . ?
C27A C25A C26A 99.5(9) . . ?
C28A C25A C27A 112.2(10) . . ?
C28A C25A C26A 113.2(9) . . ?
C25A C27A H27D 109.5 . . ?
C25A C27A H27E 109.5 . . ?
C25A C27A H27F 109.5 . . ?
H27D C27A H27E 109.5 . . ?
H27D C27A H27F 109.5 . . ?
H27E C27A H27F 109.5 . . ?
C25A C26A H26D 109.5 . . ?
C25A C26A H26E 109.5 . . ?
C25A C26A H26F 109.5 . . ?
H26D C26A H26E 109.5 . . ?
H26D C26A H26F 109.5 . . ?
H26E C26A H26F 109.5 . . ?
C25A C28A H28D 109.5 . . ?
C25A C28A H28E 109.5 . . ?
C25A C28A H28F 109.5 . . ?
H28D C28A H28E 109.5 . . ?
H28D C28A H28F 109.5 . . ?
H28E C28A H28F 109.5 . . ?
C75 C29A C32A 110.7(8) . . ?
C75 C29A C30A 108.3(8) . . ?
C75 C29A C31A 107.5(8) . . ?
C32A C29A C30A 106.7(9) . . ?
C32A C29A C31A 115.1(10) . . ?
C31A C29A C30A 108.3(9) . . ?
C29A C32A H32D 109.5 . . ?
C29A C32A H32E 109.5 . . ?
C29A C32A H32F 109.5 . . ?
H32D C32A H32E 109.5 . . ?
H32D C32A H32F 109.5 . . ?
H32E C32A H32F 109.5 . . ?
C29A C30A H30D 109.5 . . ?
C29A C30A H30E 109.5 . . ?
C29A C30A H30F 109.5 . . ?
H30D C30A H30E 109.5 . . ?
H30D C30A H30F 109.5 . . ?
H30E C30A H30F 109.5 . . ?
C29A C31A H31D 109.5 . . ?
C29A C31A H31E 109.5 . . ?
C29A C31A H31F 109.5 . . ?
H31D C31A H31E 109.5 . . ?
H31D C31A H31F 109.5 . . ?
H31E C31A H31F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 C3 C4 -178(100) . . . . ?
C1 C2 C3 C8 1(4) . . . . ?
C2 C3 C4 C5 178.0(7) . . . . ?
C2 C3 C8 C7 -179.2(7) . . . . ?
C3 C4 C5 C6 3.5(12) . . . . ?
C3 C4 C5 C13 163.2(8) . . . . ?
C3 C4 C5 C13A -169.1(8) . . . . ?
C4 C3 C8 C7 0.1(11) . . . . ?
C4 C5 C6 C7 -4.9(13) . . . . ?
C4 C5 C13 C14 -103.2(10) . . . . ?
C4 C5 C13 C15 136.1(9) . . . . ?
C4 C5 C13 C16 17.8(13) . . . . ?
C4 C5 C13A C14A 49.3(12) . . . . ?
C4 C5 C13A C16A -68.7(11) . . . . ?
C4 C5 C13A C15A 177.2(9) . . . . ?
C5 C6 C7 C8 3.9(13) . . . . ?
C5 C6 C7 C9 180.0(8) . . . . ?
C6 C5 C13 C14 56.2(11) . . . . ?
C6 C5 C13 C15 -64.5(11) . . . . ?
C6 C5 C13 C16 177.2(10) . . . . ?
C6 C5 C13A C14A -122.9(10) . . . . ?
C6 C5 C13A C16A 119.2(10) . . . . ?
C6 C5 C13A C15A 5.1(13) . . . . ?
C6 C7 C8 C3 -1.4(12) . . . . ?
C6 C7 C9 C10 170.0(11) . . . . ?
C6 C7 C9 C11 58.8(11) . . . . ?
C6 C7 C9 C12 -61.4(11) . . . . ?
C6 C7 C9 C12A 1.1(12) . . . . ?
C6 C7 C9 C11A 120.0(10) . . . . ?
C6 C7 C9 C10A -112.2(11) . . . . ?
C8 C3 C4 C5 -1.3(12) . . . . ?
C8 C7 C9 C10 -13.9(13) . . . . ?
C8 C7 C9 C11 -125.2(10) . . . . ?
C8 C7 C9 C12 114.7(10) . . . . ?
C8 C7 C9 C12A 177.2(10) . . . . ?
C8 C7 C9 C11A -63.9(11) . . . . ?
C8 C7 C9 C10A 63.9(11) . . . . ?
C9 C7 C8 C3 -177.5(7) . . . . ?
C13 C5 C6 C7 -165.7(8) . . . . ?
C17 C18 C19 C20 -11(3) . . . . ?
C17 C18 C19 C24 172(2) . . . . ?
C18 C19 C20 C21 -176.5(8) . . . . ?
C18 C19 C24 C23 176.1(10) . . . . ?
C19 C20 C21 C22 1.6(11) . . . . ?
C19 C20 C21 C29 173.8(8) . . . . ?
C20 C19 C24 C23 -0.7(16) . . . . ?
C20 C21 C22 C23 -3.5(17) . . . . ?
C20 C21 C29 C30 -105.7(12) . . . . ?
C20 C21 C29 C31 133.3(11) . . . . ?
C20 C21 C29 C32 18.1(13) . . . . ?
C21 C22 C23 C24 3.2(19) . . . . ?
C21 C22 C23 C25 -172.8(10) . . . . ?
C22 C21 C29 C30 66.0(14) . . . . ?
C22 C21 C29 C31 -55.0(14) . . . . ?
C22 C21 C29 C32 -170.2(12) . . . . ?
C22 C23 C24 C19 -1.0(18) . . . . ?
C22 C23 C25 C26 105.7(14) . . . . ?
C22 C23 C25 C27 -23.6(16) . . . . ?
C22 C23 C25 C28 -136.3(14) . . . . ?
C24 C19 C20 C21 0.4(12) . . . . ?
C24 C23 C25 C26 -70.3(14) . . . . ?
C24 C23 C25 C27 160.4(12) . . . . ?
C24 C23 C25 C28 47.8(15) . . . . ?
C25 C23 C24 C19 175.1(10) . . . . ?
C29 C21 C22 C23 -175.5(11) . . . . ?
C33 C34 C35 C36 -146(4) . . . . ?
C33 C34 C35 C40 35(5) . . . . ?
C34 C35 C36 C37 -179.2(10) . . . . ?
C34 C35 C40 C39 -179.8(12) . . . . ?
C35 C36 C37 C38 -3.6(19) . . . . ?
C35 C36 C37 C51 175.3(10) . . . . ?
C36 C35 C40 C39 1.0(19) . . . . ?
C36 C37 C38 C39 7(2) . . . . ?
C36 C37 C51 C52 -97.4(14) . . . . ?
C36 C37 C51 C53 140.6(12) . . . . ?
C36 C37 C51 C54 18.6(17) . . . . ?
C37 C38 C39 C40 -6(2) . . . . ?
C37 C38 C39 C61 179.3(14) . . . . ?
C38 C37 C51 C52 81(2) . . . . ?
C38 C37 C51 C53 -41(2) . . . . ?
C38 C37 C51 C54 -162.7(17) . . . . ?
C38 C39 C40 C35 2(2) . . . . ?
C38 C39 C61 C63 151.1(15) . . . . ?
C38 C39 C61 C62 -86.0(14) . . . . ?
C38 C39 C61 C64 29.4(15) . . . . ?
C40 C35 C36 C37 0.1(16) . . . . ?
C40 C39 C61 C63 -22(2) . . . . ?
C40 C39 C61 C62 100.4(18) . . . . ?
C40 C39 C61 C64 -144.1(17) . . . . ?
C41 C42 C43 C48 31(4) . . . . ?
C41 C42 C43 C44 -149(3) . . . . ?
C42 C43 C48 C47 180.0(7) . . . . ?
C42 C43 C44 C45 -180.0(7) . . . . ?
C43 C48 C47 C46 0.0 . . . . ?
C43 C48 C47 C55 177.7(11) . . . . ?
C48 C43 C44 C45 0.0 . . . . ?
C48 C47 C46 C45 0.0 . . . . ?
C48 C47 C55 C56 -74.5(11) . . . . ?
C48 C47 C55 C57 165.9(11) . . . . ?
C48 C47 C55 C58 45.2(12) . . . . ?
C47 C46 C45 C44 0.0 . . . . ?
C47 C46 C45 C65 171.6(9) . . . . ?
C46 C47 C55 C56 102.9(12) . . . . ?
C46 C47 C55 C57 -16.7(16) . . . . ?
C46 C47 C55 C58 -137.4(11) . . . . ?
C46 C45 C44 C43 0.0 . . . . ?
C46 C45 C65 C68 -168.9(10) . . . . ?
C46 C45 C65 C66 56.7(11) . . . . ?
C46 C45 C65 C67 -50.5(11) . . . . ?
C44 C43 C48 C47 0.0 . . . . ?
C44 C45 C65 C68 1.9(15) . . . . ?
C44 C45 C65 C66 -132.6(10) . . . . ?
C44 C45 C65 C67 120.3(11) . . . . ?
C51 C37 C38 C39 -171.9(14) . . . . ?
C55 C47 C46 C45 -177.2(14) . . . . ?
Cu1 C17 C18 C19 163(3) . . . . ?
Cu1 C18 C19 C20 148.8(6) . . . . ?
Cu1 C18 C19 C24 -28.1(12) . . . . ?
Cu1 C33 C34 C35 114(4) . . . . ?
Cu1 C34 C35 C36 -41.2(11) . . . . ?
Cu1 C34 C35 C40 139.6(10) . . . . ?
Cu1 C41 C42 C43 174(3) . . . . ?
Cu1 C42 C43 C48 -157.1(11) . . . . ?
Cu1 C42 C43 C44 22.8(16) . . . . ?
Cu1 C71 C72 C73 167(2) . . . . ?
Cu1 C72 C73 C74 140.1(6) . . . . ?
Cu1 C72 C73 C78 -46.8(11) . . . . ?
Cu2 C1 C2 C3 -167(3) . . . . ?
Cu2 C2 C3 C4 16.2(10) . . . . ?
Cu2 C2 C3 C8 -164.5(6) . . . . ?
C61 C39 C40 C35 174.9(12) . . . . ?
C65 C45 C44 C43 -170.0(11) . . . . ?
C13A C5 C6 C7 167.6(8) . . . . ?
C71 C72 C73 C74 -24(3) . . . . ?
C71 C72 C73 C78 149(2) . . . . ?
C72 C73 C74 C75 173.0(8) . . . . ?
C72 C73 C78 C77 -171.8(9) . . . . ?
C73 C74 C75 C76 -0.8(11) . . . . ?
C73 C74 C75 C29A -176.0(8) . . . . ?
C74 C73 C78 C77 1.3(14) . . . . ?
C74 C75 C76 C77 0.9(15) . . . . ?
C74 C75 C29A C32A -23.2(12) . . . . ?
C74 C75 C29A C30A -139.9(9) . . . . ?
C74 C75 C29A C31A 103.2(10) . . . . ?
C75 C76 C77 C78 0.1(17) . . . . ?
C75 C76 C77 C25A 177.6(9) . . . . ?
C76 C75 C29A C32A 161.8(10) . . . . ?
C76 C75 C29A C30A 45.1(12) . . . . ?
C76 C75 C29A C31A -71.8(12) . . . . ?
C76 C77 C78 C73 -1.2(16) . . . . ?
C76 C77 C25A C27A -42.2(14) . . . . ?
C76 C77 C25A C26A 67.3(13) . . . . ?
C76 C77 C25A C28A -168.1(11) . . . . ?
C78 C73 C74 C75 -0.3(11) . . . . ?
C78 C77 C25A C27A 135.3(12) . . . . ?
C78 C77 C25A C26A -115.3(11) . . . . ?
C78 C77 C25A C28A 9.3(14) . . . . ?
C25A C77 C78 C73 -178.7(9) . . . . ?
C29A C75 C76 C77 176.2(10) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: dichloromethane/acetonitrile'
_exptl_crystal_preparation       ', Luminescent'
####################################################################### 
# 
# 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_cxy515_0m
_database_code_depnum_ccdc_archive 'CCDC 1554174'
_audit_update_record             
;
2017-06-05 deposited with the CCDC.
2017-09-18 downloaded from the CCDC.
;
_audit_creation_date             2016-10-29
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        tBuAuAg51
_chemical_formula_moiety         'C72 H108 Ag1.81 Au10.19'
_chemical_formula_sum            'C72 H108 Ag1.80 Au10.20'
_chemical_formula_weight         3176.36
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   28.818(3)
_cell_length_b                   12.9632(13)
_cell_length_c                   25.496(3)
_cell_angle_alpha                90
_cell_angle_beta                 117.086(3)
_cell_angle_gamma                90
_cell_volume                     8480.1(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    35.733
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    2.488
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       ?
_exptl_crystal_F_000             5721
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0722
_diffrn_reflns_av_unetI/netI     0.0392
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            72045
_diffrn_reflns_point_group_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        67.609
_diffrn_reflns_theta_max         67.609
_diffrn_reflns_theta_min         3.445
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7038
_reflns_number_total             7478
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         7.055
_refine_diff_density_min         -2.871
_refine_diff_density_rms         0.490
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     485
_refine_ls_number_reflns         7478
_refine_ls_number_restraints     138
_refine_ls_R_factor_all          0.0886
_refine_ls_R_factor_gt           0.0866
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          1.305
_refine_ls_shift/su_mean         0.014
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1688P)²+324.0992P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2404
_refine_ls_wR_factor_ref         0.2438
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C13-C00N = C4AA-C13A = C4AA-C19A = C19-C00N = C4AA-C14A = C14-C00N
 1.53 with sigma of 0.02
 C17-C00J = C5AA-C17A = C16-C00J = C5AA-C16A = C6AA-C5AA = C00M-C00J
 1.53 with sigma of 0.02
 C20A-C15A = C20-C15 = C3AA-C15 = C3AB-C15A = C27-C15 = C27A-C15A
 1.53 with sigma of 0.02
 C8AA-C48A = C8AA-C2AB = C48-C00H = C8AA-C24A = C24-C00H = C2AA-C00H
 1.53 with sigma of 0.02
 C11A-C00P = C26A-C00P = C7AB-C00P = C11-C00O = C7AA-C00O = C26-C00O
 1.53 with sigma of 0.02
 C13-C19 = C19A-C13A
 2.52 with sigma of 0.04
 C19-C14 = C14A-C19A
 2.52 with sigma of 0.04
 C14A-C13A = C14-C13
 2.52 with sigma of 0.04
 C17-C16 = C17A-C16A
 2.52 with sigma of 0.04
 C17A-C6AA = C00M-C17
 2.52 with sigma of 0.04
 C00M-C16 = C6AA-C16A
 2.52 with sigma of 0.04
 C3AB-C20A = C3AA-C20
 2.52 with sigma of 0.04
 C3AB-C27A = C3AA-C27
 2.52 with sigma of 0.04
 C20-C27 = C20A-C27A
 2.52 with sigma of 0.04
 C48A-C2AB = C2AA-C24
 2.52 with sigma of 0.04
 C48-C24 = C24A-C48A
 2.52 with sigma of 0.04
 C48-C2AA = C2AB-C24A
 2.52 with sigma of 0.04
 C11-C7AA = C7AB-C11A
 2.52 with sigma of 0.04
 C11A-C26A = C11-C26
 2.52 with sigma of 0.04
 C7AB-C26A = C7AA-C26
 2.52 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
C13A \\sim C4AA \\sim C19A \\sim C14A: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02
C26A \\sim C00P \\sim C11A \\sim C7AB: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02
C16A \\sim C5AA \\sim C17A \\sim C6AA: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02
C48 \\sim C00H \\sim C24 \\sim C2AA: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C00B) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C00N) = Uanis(C4AA)
Uanis(C19) = Uanis(C19A)
Uanis(C14) = Uanis(C14A)
Uanis(C13) = Uanis(C13A)
Uanis(C00J) = Uanis(C5AA)
Uanis(C17) = Uanis(C17A)
Uanis(C16) = Uanis(C16A)
Uanis(C00M) = Uanis(C6AA)
Uanis(C15) = Uanis(C15A)
Uanis(C3AA) = Uanis(C3AB)
Uanis(C27) = Uanis(C27A)
Uanis(C20) = Uanis(C20A)
Uanis(C00H) = Uanis(C8AA)
Uanis(C2AA) = Uanis(C2AB)
Uanis(C48) = Uanis(C48A)
Uanis(C24) = Uanis(C24A)
Uanis(C00O) = Uanis(C00P)
Uanis(C11) = Uanis(C11A)
Uanis(C7AA) = Uanis(C7AB)
Uanis(C26) = Uanis(C26A)
Uanis(Ag06) = Uanis(Au)
Uanis(Au05) = Uanis(Ag1)
4. Others
 Sof(Au)=1-FVAR(1)
 Sof(Ag06)=FVAR(1)
 Sof(C4AA)=Sof(C19A)=Sof(H19D)=Sof(H19E)=Sof(H19F)=Sof(C14A)=Sof(H14D)=
 Sof(H14E)=Sof(H14F)=Sof(C13A)=Sof(H13D)=Sof(H13E)=Sof(H13F)=1-FVAR(2)
 Sof(C00N)=Sof(C13)=Sof(H13A)=Sof(H13B)=Sof(H13C)=Sof(C14)=Sof(H14A)=Sof(H14B)=
 Sof(H14C)=Sof(C19)=Sof(H19A)=Sof(H19B)=Sof(H19C)=FVAR(2)
 Sof(C5AA)=Sof(C17A)=Sof(H17D)=Sof(H17E)=Sof(H17F)=Sof(C16A)=Sof(H16D)=
 Sof(H16E)=Sof(H16F)=Sof(C6AA)=Sof(H6AA)=Sof(H6AB)=Sof(H6AC)=1-FVAR(3)
 Sof(C00J)=Sof(C00M)=Sof(H00A)=Sof(H00B)=Sof(H00C)=Sof(C16)=Sof(H16A)=
 Sof(H16B)=Sof(H16C)=Sof(C17)=Sof(H17A)=Sof(H17B)=Sof(H17C)=FVAR(3)
 Sof(C15A)=Sof(C3AB)=Sof(H3AD)=Sof(H3AE)=Sof(H3AF)=Sof(C27A)=Sof(H27D)=
 Sof(H27E)=Sof(H27F)=Sof(C20A)=Sof(H20D)=Sof(H20E)=Sof(H20F)=1-FVAR(4)
 Sof(C15)=Sof(C20)=Sof(H20A)=Sof(H20B)=Sof(H20C)=Sof(C3AA)=Sof(H3AA)=Sof(H3AB)=
 Sof(H3AC)=Sof(C27)=Sof(H27A)=Sof(H27B)=Sof(H27C)=FVAR(4)
 Sof(C8AA)=Sof(C2AB)=Sof(H2AD)=Sof(H2AE)=Sof(H2AF)=Sof(C48A)=Sof(H48D)=
 Sof(H48E)=Sof(H48F)=Sof(C24A)=Sof(H24D)=Sof(H24E)=Sof(H24F)=1-FVAR(5)
 Sof(C00H)=Sof(C2AA)=Sof(H2AA)=Sof(H2AB)=Sof(H2AC)=Sof(C24)=Sof(H24A)=
 Sof(H24B)=Sof(H24C)=Sof(C48)=Sof(H48A)=Sof(H48B)=Sof(H48C)=FVAR(5)
 Sof(C00P)=Sof(C11A)=Sof(H11D)=Sof(H11E)=Sof(H11F)=Sof(C7AB)=Sof(H7AD)=
 Sof(H7AE)=Sof(H7AF)=Sof(C26A)=Sof(H26D)=Sof(H26E)=Sof(H26F)=1-FVAR(6)
 Sof(C00O)=Sof(C11)=Sof(H11A)=Sof(H11B)=Sof(H11C)=Sof(C7AA)=Sof(H7AA)=
 Sof(H7AB)=Sof(H7AC)=Sof(C26)=Sof(H26A)=Sof(H26B)=Sof(H26C)=FVAR(6)
 Sof(Ag1)=1-FVAR(7)
 Sof(Au05)=FVAR(7)
5.a Idealised Me refined as rotating group:
 C00M(H00A,H00B,H00C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C16(H16A,H16B,
 H16C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C12(H12A,H12B,H12C),
 C1AA(H1AA,H1AB,H1AC), C2AA(H2AA,H2AB,H2AC), C0AA(H0AA,H0AB,H0AC), C17(H17A,
 H17B,H17C), C24(H24A,H24B,H24C), C48(H48A,H48B,H48C), C3AA(H3AA,H3AB,H3AC),
 C27(H27A,H27B,H27C), C19A(H19D,H19E,H19F), C14A(H14D,H14E,H14F), C13A(H13D,
 H13E,H13F), C17A(H17D,H17E,H17F), C16A(H16D,H16E,H16F), C6AA(H6AA,H6AB,H6AC),
 C11(H11A,H11B,H11C), C7AA(H7AA,H7AB,H7AC), C26(H26A,H26B,H26C), C3AB(H3AD,H3AE,
 H3AF), C27A(H27D,H27E,H27F), C20A(H20D,H20E,H20F), C2AB(H2AD,H2AE,H2AF),
 C48A(H48D,H48E,H48F), C24A(H24D,H24E,H24F), C11A(H11D,H11E,H11F), C7AB(H7AD,
 H7AE,H7AF), C26A(H26D,H26E,H26F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au01 Au 0.31351(2) 0.69939(4) 0.68428(2) 0.04012(17) Uani 1 1 d . . . . .
Au02 Au 0.56114(2) 0.70007(5) 0.76839(2) 0.04123(18) Uani 1 1 d . . . . .
Au03 Au 0.51430(2) 0.83042(5) 0.85084(3) 0.04453(17) Uani 1 1 d . . . . .
Au04 Au 0.48230(2) 0.57860(5) 0.63968(3) 0.04677(18) Uani 1 1 d . . . . .
Au05 Au 0.38260(3) 0.82569(8) 0.81187(4) 0.0507(3) Uani 0.711(2) 1 d . . P A 1
Ag06 Ag 0.37420(7) 0.61668(17) 0.62130(9) 0.0539(3) Uani 0.6144(16) 1 d . . P A
1
C007 C 0.5511(6) 0.4867(13) 0.7015(7) 0.055(4) Uani 1 1 d . . . . .
C008 C 0.5780(6) 0.9088(12) 0.8397(7) 0.053(4) Uani 1 1 d . . . . .
C009 C 0.4178(5) 0.6188(14) 0.5695(6) 0.052(4) Uani 1 1 d . . . . .
C00A C 0.5703(5) 0.8291(12) 0.8141(6) 0.043(3) Uani 1 1 d . . . . .
C00B C 0.5537(5) 0.5655(12) 0.7237(7) 0.048(3) Uani 1 1 d . U . . .
C00C C 0.3117(6) 0.9081(14) 0.7503(7) 0.057(4) Uani 1 1 d . . . . .
C00D C 0.4628(5) 0.7945(14) 0.8799(7) 0.055(4) Uani 1 1 d . . . . .
C00E C 0.3137(5) 0.8308(11) 0.7252(6) 0.043(3) Uani 1 1 d . . . . .
C00F C 0.3794(8) 0.6482(15) 0.5268(9) 0.071(5) Uani 1 1 d . . . . .
C00G C 0.3080(5) 0.5661(12) 0.6416(7) 0.049(3) Uani 1 1 d . . . . .
C00H C 0.3344(10) 0.693(2) 0.4718(12) 0.081(5) Uani 0.54(2) 1 d D U P A 1
C00I C 0.4360(7) 0.7584(17) 0.8991(8) 0.066(5) Uani 1 1 d . . . . .
C00J C 0.5994(7) 1.0159(18) 0.8594(8) 0.060(5) Uani 0.69(2) 1 d D . P B 1
C00K C 0.4138(7) 0.7008(14) 0.9339(7) 0.058(4) Uani 1 1 d . . . . .
C00L C 0.3039(5) 0.4864(12) 0.6157(7) 0.053(4) Uani 1 1 d . . . . .
C00M C 0.6575(8) 1.012(2) 0.8755(12) 0.072(6) Uani 0.69(2) 1 d D . P B 1
H00A H 0.6774 0.9989 0.9168 0.107 Uiso 0.69(2) 1 calc GR . P B 1
H00B H 0.6679 1.0776 0.8662 0.107 Uiso 0.69(2) 1 calc GR . P B 1
H00C H 0.6636 0.9587 0.8534 0.107 Uiso 0.69(2) 1 calc GR . P B 1
C00N C 0.2884(7) 0.3811(19) 0.5863(9) 0.073(6) Uani 0.68(2) 1 d D . P A 1
C00O C 0.5548(8) 0.372(2) 0.6860(9) 0.069(5) Uani 0.61(2) 1 d D . P C 1
C13 C 0.3320(9) 0.346(2) 0.5722(12) 0.079(7) Uani 0.68(2) 1 d D . P A 1
H13A H 0.3281 0.3788 0.5366 0.119 Uiso 0.68(2) 1 calc GR . P A 1
H13B H 0.3303 0.2724 0.5669 0.119 Uiso 0.68(2) 1 calc GR . P A 1
H13C H 0.3651 0.3642 0.6040 0.119 Uiso 0.68(2) 1 calc GR . P A 1
C14 C 0.2812(10) 0.305(2) 0.6278(11) 0.079(7) Uani 0.68(2) 1 d D . P A 1
H14A H 0.3142 0.2921 0.6613 0.118 Uiso 0.68(2) 1 calc GR . P A 1
H14B H 0.2675 0.2410 0.6074 0.118 Uiso 0.68(2) 1 calc GR . P A 1
H14C H 0.2574 0.3331 0.6408 0.118 Uiso 0.68(2) 1 calc GR . P A 1
C15 C 0.2846(9) 1.001(3) 0.7645(11) 0.066(7) Uani 0.49(2) 1 d D . P A 1
C16 C 0.5952(10) 1.036(2) 0.9162(9) 0.073(6) Uani 0.69(2) 1 d D . P B 1
H16A H 0.5594 1.0305 0.9085 0.109 Uiso 0.69(2) 1 calc GR . P B 1
H16B H 0.6075 1.1048 0.9301 0.109 Uiso 0.69(2) 1 calc GR . P B 1
H16C H 0.6159 0.9870 0.9456 0.109 Uiso 0.69(2) 1 calc GR . P B 1
C19 C 0.2373(9) 0.398(2) 0.5311(11) 0.089(9) Uani 0.68(2) 1 d D . P A 1
H19A H 0.2104 0.4147 0.5421 0.133 Uiso 0.68(2) 1 calc GR . P A 1
H19B H 0.2279 0.3362 0.5078 0.133 Uiso 0.68(2) 1 calc GR . P A 1
H19C H 0.2411 0.4537 0.5086 0.133 Uiso 0.68(2) 1 calc GR . P A 1
C20 C 0.3084(15) 1.012(3) 0.8318(10) 0.078(10) Uani 0.49(2) 1 d D . P A 1
H20A H 0.2932 1.0702 0.8413 0.117 Uiso 0.49(2) 1 calc GR . P A 1
H20B H 0.3454 1.0219 0.8478 0.117 Uiso 0.49(2) 1 calc GR . P A 1
H20C H 0.3017 0.9506 0.8483 0.117 Uiso 0.49(2) 1 calc GR . P A 1
Au Au 0.35559(7) 0.58644(15) 0.59503(8) 0.0539(3) Uani 0.3856(16) 1 d . . P A 2
Ag1 Ag 0.39522(16) 0.8028(3) 0.7934(2) 0.0507(3) Uani 0.289(2) 1 d . . P A 2
C12 C 0.3643(11) 0.646(3) 0.8927(11) 0.118(10) Uani 1 1 d . . . . .
H12A H 0.3579 0.6566 0.8527 0.178 Uiso 1 1 calc GR . . . .
H12B H 0.3356 0.6726 0.8978 0.178 Uiso 1 1 calc GR . . . .
H12C H 0.3679 0.5733 0.9012 0.178 Uiso 1 1 calc GR . . . .
C1AA C 0.3949(16) 0.781(3) 0.9654(14) 0.164(10) Uani 1 1 d . . . . .
H1AA H 0.4226 0.7953 1.0040 0.247 Uiso 1 1 calc GR . . . .
H1AB H 0.3655 0.7539 0.9690 0.247 Uiso 1 1 calc GR . . . .
H1AC H 0.3850 0.8437 0.9429 0.247 Uiso 1 1 calc GR . . . .
C2AA C 0.3198(15) 0.800(2) 0.4854(17) 0.093(9) Uani 0.54(2) 1 d D U P A 1
H2AA H 0.3381 0.8522 0.4752 0.140 Uiso 0.54(2) 1 calc GR . P A 1
H2AB H 0.3293 0.8051 0.5266 0.140 Uiso 0.54(2) 1 calc GR . P A 1
H2AC H 0.2830 0.8108 0.4628 0.140 Uiso 0.54(2) 1 calc GR . P A 1
C0AA C 0.4541(12) 0.635(3) 0.9718(14) 0.129(11) Uani 1 1 d . . . . .
H0AA H 0.4392 0.5729 0.9787 0.194 Uiso 1 1 calc GR . . . .
H0AB H 0.4745 0.6690 1.0086 0.194 Uiso 1 1 calc GR . . . .
H0AC H 0.4760 0.6169 0.9539 0.194 Uiso 1 1 calc GR . . . .
C17 C 0.5718(12) 1.101(2) 0.8136(12) 0.092(8) Uani 0.69(2) 1 d D . P B 1
H17A H 0.5734 1.0846 0.7778 0.137 Uiso 0.69(2) 1 calc GR . P B 1
H17B H 0.5887 1.1657 0.8285 0.137 Uiso 0.69(2) 1 calc GR . P B 1
H17C H 0.5360 1.1052 0.8061 0.137 Uiso 0.69(2) 1 calc GR . P B 1
C24 C 0.2872(11) 0.621(3) 0.4524(18) 0.098(9) Uani 0.54(2) 1 d D U P A 1
H24A H 0.2919 0.5625 0.4323 0.147 Uiso 0.54(2) 1 calc GR . P A 1
H24B H 0.2562 0.6576 0.4263 0.147 Uiso 0.54(2) 1 calc GR . P A 1
H24C H 0.2839 0.5983 0.4863 0.147 Uiso 0.54(2) 1 calc GR . P A 1
C48 C 0.3526(13) 0.701(3) 0.4241(13) 0.096(8) Uani 0.54(2) 1 d D U P A 1
H48A H 0.3235 0.7171 0.3870 0.144 Uiso 0.54(2) 1 calc GR . P A 1
H48B H 0.3673 0.6358 0.4209 0.144 Uiso 0.54(2) 1 calc GR . P A 1
H48C H 0.3785 0.7537 0.4345 0.144 Uiso 0.54(2) 1 calc GR . P A 1
C3AA C 0.2260(9) 0.981(3) 0.7389(17) 0.089(10) Uani 0.49(2) 1 d D . P A 1
H3AA H 0.2185 0.9108 0.7257 0.134 Uiso 0.49(2) 1 calc GR . P A 1
H3AB H 0.2076 1.0267 0.7063 0.134 Uiso 0.49(2) 1 calc GR . P A 1
H3AC H 0.2149 0.9933 0.7687 0.134 Uiso 0.49(2) 1 calc GR . P A 1
C27 C 0.2946(17) 1.095(3) 0.7352(16) 0.103(11) Uani 0.49(2) 1 d D . P A 1
H27A H 0.2644 1.1389 0.7200 0.155 Uiso 0.49(2) 1 calc GR . P A 1
H27B H 0.3015 1.0732 0.7034 0.155 Uiso 0.49(2) 1 calc GR . P A 1
H27C H 0.3241 1.1325 0.7636 0.155 Uiso 0.49(2) 1 calc GR . P A 1
C4AA C 0.2992(11) 0.392(3) 0.5790(14) 0.073(6) Uani 0.32(2) 1 d D U P A 2
C19A C 0.272(2) 0.427(4) 0.5146(14) 0.089(9) Uani 0.32(2) 1 d D U P A 2
H19D H 0.2814 0.4964 0.5116 0.133 Uiso 0.32(2) 1 calc GR . P A 2
H19E H 0.2346 0.4228 0.5005 0.133 Uiso 0.32(2) 1 calc GR . P A 2
H19F H 0.2817 0.3823 0.4914 0.133 Uiso 0.32(2) 1 calc GR . P A 2
C14A C 0.2664(15) 0.316(4) 0.594(2) 0.079(7) Uani 0.32(2) 1 d D U P A 2
H14D H 0.2302 0.3274 0.5677 0.118 Uiso 0.32(2) 1 calc GR . P A 2
H14E H 0.2727 0.3268 0.6338 0.118 Uiso 0.32(2) 1 calc GR . P A 2
H14F H 0.2758 0.2470 0.5893 0.118 Uiso 0.32(2) 1 calc GR . P A 2
C13A C 0.3526(12) 0.345(4) 0.593(2) 0.079(7) Uani 0.32(2) 1 d D U P A 2
H13D H 0.3477 0.2793 0.5742 0.119 Uiso 0.32(2) 1 calc GR . P A 2
H13E H 0.3725 0.3368 0.6350 0.119 Uiso 0.32(2) 1 calc GR . P A 2
H13F H 0.3709 0.3903 0.5791 0.119 Uiso 0.32(2) 1 calc GR . P A 2
C5AA C 0.5944(12) 1.021(3) 0.8699(13) 0.060(5) Uani 0.31(2) 1 d D U P B 2
C17A C 0.5492(14) 1.098(4) 0.845(2) 0.092(8) Uani 0.31(2) 1 d D U P B 2
H17D H 0.5317 1.0989 0.8691 0.137 Uiso 0.31(2) 1 calc GR . P B 2
H17E H 0.5251 1.0784 0.8055 0.137 Uiso 0.31(2) 1 calc GR . P B 2
H17F H 0.5625 1.1660 0.8443 0.137 Uiso 0.31(2) 1 calc GR . P B 2
C16A C 0.6216(19) 1.025(5) 0.9375(12) 0.073(6) Uani 0.31(2) 1 d D U P B 2
H16D H 0.6311 1.0946 0.9504 0.109 Uiso 0.31(2) 1 calc GR . P B 2
H16E H 0.6524 0.9826 0.9524 0.109 Uiso 0.31(2) 1 calc GR . P B 2
H16F H 0.5983 0.9992 0.9520 0.109 Uiso 0.31(2) 1 calc GR . P B 2
C6AA C 0.6330(14) 1.044(5) 0.8457(17) 0.072(6) Uani 0.31(2) 1 d D U P B 2
H6AA H 0.6219 1.0104 0.8084 0.107 Uiso 0.31(2) 1 calc GR . P B 2
H6AB H 0.6670 1.0196 0.8729 0.107 Uiso 0.31(2) 1 calc GR . P B 2
H6AC H 0.6345 1.1174 0.8406 0.107 Uiso 0.31(2) 1 calc GR . P B 2
C11 C 0.5780(11) 0.374(3) 0.6431(12) 0.082(7) Uani 0.61(2) 1 d D . P C 1
H11A H 0.5589 0.4217 0.6119 0.122 Uiso 0.61(2) 1 calc GR . P C 1
H11B H 0.5760 0.3063 0.6269 0.122 Uiso 0.61(2) 1 calc GR . P C 1
H11C H 0.6138 0.3951 0.6635 0.122 Uiso 0.61(2) 1 calc GR . P C 1
C7AA C 0.5026(9) 0.314(2) 0.6624(14) 0.080(7) Uani 0.61(2) 1 d D . P C 1
H7AA H 0.5037 0.2547 0.6406 0.121 Uiso 0.61(2) 1 calc GR . P C 1
H7AB H 0.4750 0.3591 0.6370 0.121 Uiso 0.61(2) 1 calc GR . P C 1
H7AC H 0.4965 0.2930 0.6948 0.121 Uiso 0.61(2) 1 calc GR . P C 1
C26 C 0.5925(13) 0.328(3) 0.7463(11) 0.093(9) Uani 0.61(2) 1 d D . P C 1
H26A H 0.5745 0.3189 0.7697 0.139 Uiso 0.61(2) 1 calc GR . P C 1
H26B H 0.6210 0.3750 0.7657 0.139 Uiso 0.61(2) 1 calc GR . P C 1
H26C H 0.6056 0.2627 0.7411 0.139 Uiso 0.61(2) 1 calc GR . P C 1
C15A C 0.3036(9) 1.010(3) 0.7718(11) 0.066(7) Uani 0.51(2) 1 d D . P A 2
C3AB C 0.2547(12) 1.052(3) 0.7202(13) 0.089(10) Uani 0.51(2) 1 d D . P A 2
H3AD H 0.2376 1.0995 0.7346 0.134 Uiso 0.51(2) 1 calc GR . P A 2
H3AE H 0.2316 0.9960 0.7002 0.134 Uiso 0.51(2) 1 calc GR . P A 2
H3AF H 0.2642 1.0870 0.6933 0.134 Uiso 0.51(2) 1 calc GR . P A 2
C27A C 0.3498(12) 1.084(3) 0.791(2) 0.103(11) Uani 0.51(2) 1 d D . P A 2
H27D H 0.3411 1.1485 0.8022 0.155 Uiso 0.51(2) 1 calc GR . P A 2
H27E H 0.3578 1.0942 0.7586 0.155 Uiso 0.51(2) 1 calc GR . P A 2
H27F H 0.3795 1.0545 0.8235 0.155 Uiso 0.51(2) 1 calc GR . P A 2
C20A C 0.2939(14) 0.982(3) 0.8245(11) 0.078(10) Uani 0.51(2) 1 d D . P A 2
H20D H 0.2571 0.9834 0.8126 0.117 Uiso 0.51(2) 1 calc GR . P A 2
H20E H 0.3113 1.0306 0.8557 0.117 Uiso 0.51(2) 1 calc GR . P A 2
H20F H 0.3071 0.9138 0.8381 0.117 Uiso 0.51(2) 1 calc GR . P A 2
C8AA C 0.3433(11) 0.701(2) 0.4741(13) 0.081(5) Uani 0.46(2) 1 d D . P A 2
C2AB C 0.3016(12) 0.746(4) 0.4893(16) 0.093(9) Uani 0.46(2) 1 d D . P A 2
H2AD H 0.2841 0.8017 0.4632 0.140 Uiso 0.46(2) 1 calc GR . P A 2
H2AE H 0.3178 0.7701 0.5292 0.140 Uiso 0.46(2) 1 calc GR . P A 2
H2AF H 0.2768 0.6927 0.4851 0.140 Uiso 0.46(2) 1 calc GR . P A 2
C48A C 0.3714(14) 0.788(3) 0.4587(19) 0.096(8) Uani 0.46(2) 1 d D . P A 2
H48D H 0.3794 0.8431 0.4866 0.144 Uiso 0.46(2) 1 calc GR . P A 2
H48E H 0.3493 0.8130 0.4198 0.144 Uiso 0.46(2) 1 calc GR . P A 2
H48F H 0.4031 0.7614 0.4601 0.144 Uiso 0.46(2) 1 calc GR . P A 2
C24A C 0.3204(16) 0.623(3) 0.4239(15) 0.098(9) Uani 0.46(2) 1 d D . P A 2
H24D H 0.3234 0.5547 0.4400 0.147 Uiso 0.46(2) 1 calc GR . P A 2
H24E H 0.3392 0.6257 0.4010 0.147 Uiso 0.46(2) 1 calc GR . P A 2
H24F H 0.2844 0.6383 0.3992 0.147 Uiso 0.46(2) 1 calc GR . P A 2
C00P C 0.5730(11) 0.386(3) 0.6929(11) 0.069(5) Uani 0.39(2) 1 d D U P C 2
C11A C 0.6326(10) 0.391(4) 0.719(2) 0.082(7) Uani 0.39(2) 1 d D U P C 2
H11D H 0.6446 0.3383 0.7018 0.122 Uiso 0.39(2) 1 calc GR . P C 2
H11E H 0.6480 0.3819 0.7608 0.122 Uiso 0.39(2) 1 calc GR . P C 2
H11F H 0.6425 0.4576 0.7104 0.122 Uiso 0.39(2) 1 calc GR . P C 2
C7AB C 0.5489(18) 0.364(4) 0.6271(11) 0.080(7) Uani 0.39(2) 1 d D U P C 2
H7AD H 0.5588 0.2965 0.6208 0.121 Uiso 0.39(2) 1 calc GR . P C 2
H7AE H 0.5610 0.4144 0.6085 0.121 Uiso 0.39(2) 1 calc GR . P C 2
H7AF H 0.5116 0.3681 0.6106 0.121 Uiso 0.39(2) 1 calc GR . P C 2
C26A C 0.5587(17) 0.307(3) 0.7278(16) 0.093(9) Uani 0.39(2) 1 d D U P C 2
H26D H 0.5216 0.3064 0.7134 0.139 Uiso 0.39(2) 1 calc GR . P C 2
H26E H 0.5752 0.3256 0.7687 0.139 Uiso 0.39(2) 1 calc GR . P C 2
H26F H 0.5703 0.2399 0.7231 0.139 Uiso 0.39(2) 1 calc GR . P C 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au01 Au02 3.2461(7) 2_656 ?
Au01 Au05 3.3659(11) . ?
Au01 Ag06 3.057(2) . ?
Au01 C00E 1.997(14) . ?
Au01 C00G 2.009(16) . ?
Au01 Au 3.3622(19) . ?
Au01 Ag1 3.019(4) . ?
Au02 Au01 3.2462(7) 2_656 ?
Au02 Au02 3.2072(10) 2_656 ?
Au02 Au03 3.2870(8) 2_656 ?
Au02 Ag06 2.789(2) 2_656 ?
Au02 C00A 1.987(15) . ?
Au02 C00B 2.041(15) . ?
Au02 Ag1 2.764(5) 2_656 ?
Au03 Au02 3.2871(8) 2_656 ?
Au03 Au04 3.2715(10) 2_656 ?
Au03 C008 2.228(14) . ?
Au03 C00A 2.204(13) . ?
Au03 C00D 1.992(15) . ?
Au03 Ag1 3.078(4) . ?
Au04 Au03 3.2715(10) 2_656 ?
Au04 Ag06 2.9729(19) . ?
Au04 C007 2.235(16) . ?
Au04 C009 1.975(13) . ?
Au04 C00B 2.199(14) . ?
Au04 Au 3.2947(17) . ?
Au05 C00C 2.205(17) . ?
Au05 C00D 2.206(15) . ?
Au05 C00E 2.199(13) . ?
Au05 C00I 2.23(2) . ?
Ag06 Au02 2.789(2) 2_656 ?
Ag06 C009 2.201(16) . ?
Ag06 C00F 2.51(2) . ?
Ag06 C00G 2.289(15) . ?
Ag06 C00L 2.591(16) . ?
C007 C00B 1.15(2) . ?
C007 C00O 1.56(3) . ?
C007 C00P 1.51(4) . ?
C008 C00A 1.19(2) . ?
C008 C00J 1.51(3) . ?
C008 C5AA 1.61(4) . ?
C009 C00F 1.21(2) . ?
C009 Au 2.210(16) . ?
C00C C00E 1.20(2) . ?
C00C C15 1.56(4) . ?
C00C Ag1 2.541(17) . ?
C00C C15A 1.49(4) . ?
C00D C00I 1.18(2) . ?
C00D Ag1 2.182(16) . ?
C00E Ag1 2.227(13) . ?
C00F C00H 1.53(3) . ?
C00F Au 2.29(2) . ?
C00F C8AA 1.45(4) . ?
C00G C00L 1.20(2) . ?
C00G Au 2.201(16) . ?
C00H C2AA 1.539(18) . ?
C00H C24 1.532(18) . ?
C00H C48 1.532(19) . ?
C00I C00K 1.51(3) . ?
C00I Ag1 2.467(19) . ?
C00J C00M 1.532(17) . ?
C00J C16 1.531(17) . ?
C00J C17 1.536(18) . ?
C00K C12 1.51(3) . ?
C00K C1AA 1.56(3) . ?
C00K C0AA 1.41(4) . ?
C00L C00N 1.52(3) . ?
C00L Au 2.212(17) . ?
C00L C4AA 1.51(4) . ?
C00M H00A 0.9600 . ?
C00M H00B 0.9600 . ?
C00M H00C 0.9600 . ?
C00N C13 1.528(18) . ?
C00N C14 1.531(18) . ?
C00N C19 1.520(17) . ?
C00O C11 1.520(18) . ?
C00O C7AA 1.533(18) . ?
C00O C26 1.531(18) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C20 1.536(18) . ?
C15 C3AA 1.530(18) . ?
C15 C27 1.531(19) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
Ag1 Au02 2.764(5) 2_656 ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C1AA H1AA 0.9600 . ?
C1AA H1AB 0.9600 . ?
C1AA H1AC 0.9600 . ?
C2AA H2AA 0.9600 . ?
C2AA H2AB 0.9600 . ?
C2AA H2AC 0.9600 . ?
C0AA H0AA 0.9600 . ?
C0AA H0AB 0.9600 . ?
C0AA H0AC 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C48 H48A 0.9792 . ?
C48 H48B 0.9790 . ?
C48 H48C 0.9794 . ?
C3AA H3AA 0.9600 . ?
C3AA H3AB 0.9600 . ?
C3AA H3AC 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C4AA C19A 1.528(19) . ?
C4AA C14A 1.527(19) . ?
C4AA C13A 1.536(19) . ?
C19A H19D 0.9600 . ?
C19A H19E 0.9600 . ?
C19A H19F 0.9600 . ?
C14A H14D 0.9600 . ?
C14A H14E 0.9600 . ?
C14A H14F 0.9600 . ?
C13A H13D 0.9600 . ?
C13A H13E 0.9600 . ?
C13A H13F 0.9600 . ?
C5AA C17A 1.53(2) . ?
C5AA C16A 1.536(19) . ?
C5AA C6AA 1.53(2) . ?
C17A H17D 0.9994 . ?
C17A H17E 0.9990 . ?
C17A H17F 0.9999 . ?
C16A H16D 0.9600 . ?
C16A H16E 0.9600 . ?
C16A H16F 0.9600 . ?
C6AA H6AA 0.9610 . ?
C6AA H6AB 0.9610 . ?
C6AA H6AC 0.9610 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C7AA H7AA 0.9600 . ?
C7AA H7AB 0.9600 . ?
C7AA H7AC 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C15A C3AB 1.525(18) . ?
C15A C27A 1.526(19) . ?
C15A C20A 1.536(19) . ?
C3AB H3AD 0.9600 . ?
C3AB H3AE 0.9600 . ?
C3AB H3AF 0.9600 . ?
C27A H27D 0.9600 . ?
C27A H27E 0.9600 . ?
C27A H27F 0.9600 . ?
C20A H20D 0.9600 . ?
C20A H20E 0.9600 . ?
C20A H20F 0.9600 . ?
C8AA C2AB 1.533(18) . ?
C8AA C48A 1.534(19) . ?
C8AA C24A 1.531(19) . ?
C2AB H2AD 0.9600 . ?
C2AB H2AE 0.9600 . ?
C2AB H2AF 0.9600 . ?
C48A H48D 0.9602 . ?
C48A H48E 0.9602 . ?
C48A H48F 0.9602 . ?
C24A H24D 0.9603 . ?
C24A H24E 0.9603 . ?
C24A H24F 0.9603 . ?
C00P C11A 1.536(19) . ?
C00P C7AB 1.521(19) . ?
C00P C26A 1.529(19) . ?
C11A H11D 0.9600 . ?
C11A H11E 0.9600 . ?
C11A H11F 0.9600 . ?
C7AB H7AD 0.9600 . ?
C7AB H7AE 0.9600 . ?
C7AB H7AF 0.9600 . ?
C26A H26D 0.9600 . ?
C26A H26E 0.9600 . ?
C26A H26F 0.9600 . ?

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
Au02 Au01 Au05 64.59(2) 2_656 . ?
Au02 Au01 Au 64.50(3) 2_656 . ?
Ag06 Au01 Au02 52.42(4) . 2_656 ?
Ag06 Au01 Au05 116.75(4) . . ?
C00E Au01 Au02 93.8(4) . 2_656 ?
C00E Au01 Au05 38.8(4) . . ?
C00E Au01 Ag06 135.1(4) . . ?
C00E Au01 C00G 175.9(5) . . ?
C00E Au01 Au 144.0(4) . . ?
C00E Au01 Ag1 47.5(4) . . ?
C00G Au01 Au02 90.2(3) . 2_656 ?
C00G Au01 Au05 143.9(4) . . ?
C00G Au01 Ag06 48.5(4) . . ?
C00G Au01 Au 39.0(4) . . ?
C00G Au01 Ag1 135.8(4) . . ?
Ag1 Au01 Au02 52.21(9) . 2_656 ?
Ag1 Au01 Au 116.53(10) . . ?
Au01 Au02 Au03 120.04(2) 2_656 2_656 ?
Au02 Au02 Au01 175.76(3) 2_656 2_656 ?
Au02 Au02 Au03 63.491(18) 2_656 2_656 ?
Ag06 Au02 Au01 60.30(4) 2_656 2_656 ?
Ag06 Au02 Au02 115.82(5) 2_656 2_656 ?
Ag06 Au02 Au03 171.40(5) 2_656 2_656 ?
C00A Au02 Au01 87.5(4) . 2_656 ?
C00A Au02 Au02 90.4(4) . 2_656 ?
C00A Au02 Au03 88.0(4) . 2_656 ?
C00A Au02 Ag06 83.4(4) . 2_656 ?
C00A Au02 C00B 178.2(6) . . ?
C00A Au02 Ag1 87.5(4) . 2_656 ?
C00B Au02 Au01 91.3(4) . 2_656 ?
C00B Au02 Au02 90.8(4) . 2_656 ?
C00B Au02 Au03 93.8(4) . 2_656 ?
C00B Au02 Ag06 94.8(4) . 2_656 ?
C00B Au02 Ag1 93.1(5) . 2_656 ?
Ag1 Au02 Au01 59.67(8) 2_656 2_656 ?
Ag1 Au02 Au02 123.90(8) 2_656 2_656 ?
Ag1 Au02 Au03 60.41(8) 2_656 2_656 ?
Au04 Au03 Au02 62.635(18) 2_656 2_656 ?
C008 Au03 Au02 110.7(4) . 2_656 ?
C008 Au03 Au04 117.8(4) . 2_656 ?
C008 Au03 Ag1 142.9(5) . . ?
C00A Au03 Au02 84.7(4) . 2_656 ?
C00A Au03 Au04 91.2(4) . 2_656 ?
C00A Au03 C008 31.1(6) . . ?
C00A Au03 Ag1 132.1(4) . . ?
C00D Au03 Au02 86.2(4) . 2_656 ?
C00D Au03 Au04 75.0(5) . 2_656 ?
C00D Au03 C008 162.0(6) . . ?
C00D Au03 C00A 165.9(6) . . ?
C00D Au03 Ag1 44.9(5) . . ?
Ag1 Au03 Au02 51.36(9) . 2_656 ?
Ag1 Au03 Au04 84.74(8) . 2_656 ?
Au03 Au04 Au 89.20(4) 2_656 . ?
Ag06 Au04 Au03 80.79(5) . 2_656 ?
C007 Au04 Au03 119.5(4) . 2_656 ?
C007 Au04 Ag06 136.9(5) . . ?
C007 Au04 Au 138.5(5) . . ?
C009 Au04 Au03 77.8(5) . 2_656 ?
C009 Au04 Ag06 47.7(5) . . ?
C009 Au04 C007 161.3(6) . . ?
C009 Au04 C00B 168.6(6) . . ?
C009 Au04 Au 40.7(5) . . ?
C00B Au04 Au03 91.3(4) . 2_656 ?
C00B Au04 Ag06 127.9(4) . . ?
C00B Au04 C007 30.2(6) . . ?
C00B Au04 Au 137.4(4) . . ?
C00C Au05 Au01 66.3(5) . . ?
C00C Au05 C00D 161.6(6) . . ?
C00C Au05 C00I 153.6(6) . . ?
C00D Au05 Au01 128.2(4) . . ?
C00D Au05 C00I 30.9(6) . . ?
C00E Au05 Au01 34.7(4) . . ?
C00E Au05 C00C 31.7(6) . . ?
C00E Au05 C00D 160.0(6) . . ?
C00E Au05 C00I 155.9(7) . . ?
C00I Au05 Au01 127.6(5) . . ?
Au02 Ag06 Au01 67.28(5) 2_656 . ?
Au02 Ag06 Au04 74.59(5) 2_656 . ?
Au04 Ag06 Au01 141.68(7) . . ?
C009 Ag06 Au01 158.6(5) . . ?
C009 Ag06 Au02 107.4(4) . 2_656 ?
C009 Ag06 Au04 41.6(3) . . ?
C009 Ag06 C00F 28.7(6) . . ?
C009 Ag06 C00G 154.5(6) . . ?
C009 Ag06 C00L 128.4(6) . . ?
C00F Ag06 Au01 138.1(4) . . ?
C00F Ag06 Au02 126.8(5) . 2_656 ?
C00F Ag06 Au04 70.3(4) . . ?
C00F Ag06 C00L 116.0(6) . . ?
C00G Ag06 Au01 41.1(4) . . ?
C00G Ag06 Au02 97.2(4) . 2_656 ?
C00G Ag06 Au04 147.0(4) . . ?
C00G Ag06 C00F 133.0(6) . . ?
C00G Ag06 C00L 27.7(5) . . ?
C00L Ag06 Au01 68.8(4) . . ?
C00L Ag06 Au02 117.1(4) . 2_656 ?
C00L Ag06 Au04 129.6(3) . . ?
C00B C007 Au04 73.2(11) . . ?
C00B C007 C00O 167.2(18) . . ?
C00B C007 C00P 154.2(18) . . ?
C00O C007 Au04 118.1(11) . . ?
C00P C007 Au04 130.9(13) . . ?
C00A C008 Au03 73.4(9) . . ?
C00A C008 C00J 158.3(16) . . ?
C00A C008 C5AA 171.1(19) . . ?
C00J C008 Au03 127.8(12) . . ?
C5AA C008 Au03 115.5(15) . . ?
Au04 C009 Ag06 90.6(6) . . ?
Au04 C009 Au 103.7(7) . . ?
C00F C009 Au04 176.8(17) . . ?
C00F C009 Ag06 90.2(13) . . ?
C00F C009 Au 77.9(13) . . ?
Au02 C00A Au03 109.2(6) . . ?
C008 C00A Au02 175.2(13) . . ?
C008 C00A Au03 75.6(10) . . ?
Au02 C00B Au04 107.0(6) . . ?
C007 C00B Au02 176.1(15) . . ?
C007 C00B Au04 76.6(11) . . ?
C00E C00C Au05 73.9(10) . . ?
C00E C00C C15 155.8(17) . . ?
C00E C00C Ag1 61.2(9) . . ?
C00E C00C C15A 170.9(19) . . ?
C15 C00C Au05 127.3(13) . . ?
C15A C00C Ag1 126.4(12) . . ?
Au03 C00D Au05 110.8(8) . . ?
Au03 C00D Ag1 94.9(7) . . ?
C00I C00D Au03 169.6(17) . . ?
C00I C00D Au05 75.5(11) . . ?
C00I C00D Ag1 89.2(11) . . ?
Au01 C00E Au05 106.6(6) . . ?
Au01 C00E Ag1 91.1(5) . . ?
C00C C00E Au01 176.7(13) . . ?
C00C C00E Au05 74.4(10) . . ?
C00C C00E Ag1 90.5(11) . . ?
C009 C00F Ag06 61.1(12) . . ?
C009 C00F C00H 174(2) . . ?
C009 C00F Au 71.0(13) . . ?
C009 C00F C8AA 165(2) . . ?
C00H C00F Ag06 123.1(15) . . ?
C8AA C00F Au 122.5(16) . . ?
Au01 C00G Ag06 90.4(6) . . ?
Au01 C00G Au 105.9(7) . . ?
C00L C00G Au01 179.1(12) . . ?
C00L C00G Ag06 90.3(11) . . ?
C00L C00G Au 74.7(11) . . ?
C00F C00H C2AA 110(2) . . ?
C00F C00H C24 109(2) . . ?
C00F C00H C48 107(2) . . ?
C24 C00H C2AA 109(2) . . ?
C48 C00H C2AA 110(2) . . ?
C48 C00H C24 111(2) . . ?
C00D C00I Au05 73.6(13) . . ?
C00D C00I C00K 166.4(19) . . ?
C00D C00I Ag1 62.1(11) . . ?
C00K C00I Au05 119.7(11) . . ?
C00K C00I Ag1 129.7(11) . . ?
C008 C00J C00M 107.0(18) . . ?
C008 C00J C16 106.2(18) . . ?
C008 C00J C17 114.5(18) . . ?
C00M C00J C17 110.5(19) . . ?
C16 C00J C00M 107.5(17) . . ?
C16 C00J C17 110.9(19) . . ?
C00I C00K C12 110.1(15) . . ?
C00I C00K C1AA 108.3(17) . . ?
C12 C00K C1AA 104(2) . . ?
C0AA C00K C00I 105.4(19) . . ?
C0AA C00K C12 114(3) . . ?
C0AA C00K C1AA 115(2) . . ?
C00G C00L Ag06 62.1(10) . . ?
C00G C00L C00N 166.7(18) . . ?
C00G C00L Au 73.7(11) . . ?
C00G C00L C4AA 175(2) . . ?
C00N C00L Ag06 131.2(13) . . ?
C4AA C00L Au 101.9(17) . . ?
C00J C00M H00A 109.5 . . ?
C00J C00M H00B 109.4 . . ?
C00J C00M H00C 109.5 . . ?
H00A C00M H00B 109.5 . . ?
H00A C00M H00C 109.5 . . ?
H00B C00M H00C 109.5 . . ?
C00L C00N C13 107.2(18) . . ?
C00L C00N C14 110.0(18) . . ?
C13 C00N C14 110.8(19) . . ?
C19 C00N C00L 105.7(17) . . ?
C19 C00N C13 112.3(19) . . ?
C19 C00N C14 110.7(19) . . ?
C11 C00O C007 106(2) . . ?
C11 C00O C7AA 114(2) . . ?
C11 C00O C26 113(2) . . ?
C7AA C00O C007 113(2) . . ?
C26 C00O C007 101.4(19) . . ?
C26 C00O C7AA 110(2) . . ?
C00N C13 H13A 109.5 . . ?
C00N C13 H13B 109.5 . . ?
C00N C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C00N C14 H14A 109.5 . . ?
C00N C14 H14B 109.5 . . ?
C00N C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C20 C15 C00C 108(2) . . ?
C3AA C15 C00C 110(2) . . ?
C3AA C15 C20 110(2) . . ?
C3AA C15 C27 110(2) . . ?
C27 C15 C00C 106(2) . . ?
C27 C15 C20 112(2) . . ?
C00J C16 H16A 109.5 . . ?
C00J C16 H16B 109.5 . . ?
C00J C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C00N C19 H19A 109.5 . . ?
C00N C19 H19B 109.5 . . ?
C00N C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Au04 Au Au01 117.66(5) . . ?
C009 Au Au01 135.1(4) . . ?
C009 Au Au04 35.6(4) . . ?
C009 Au C00F 31.1(6) . . ?
C009 Au C00L 155.0(6) . . ?
C00F Au Au01 133.5(4) . . ?
C00F Au Au04 66.7(5) . . ?
C00G Au Au01 35.1(4) . . ?
C00G Au Au04 132.5(4) . . ?
C00G Au C009 166.2(5) . . ?
C00G Au C00F 158.3(6) . . ?
C00G Au C00L 31.6(6) . . ?
C00L Au Au01 66.7(4) . . ?
C00L Au Au04 131.3(4) . . ?
C00L Au C00F 148.7(6) . . ?
Au01 Ag1 Au03 136.30(18) . . ?
Au02 Ag1 Au01 68.12(10) 2_656 . ?
Au02 Ag1 Au03 68.23(10) 2_656 . ?
C00C Ag1 Au01 69.6(4) . . ?
C00C Ag1 Au02 126.8(4) . 2_656 ?
C00C Ag1 Au03 140.8(4) . . ?
C00D Ag1 Au01 150.8(5) . . ?
C00D Ag1 Au02 97.1(4) . 2_656 ?
C00D Ag1 Au03 40.2(4) . . ?
C00D Ag1 C00C 134.2(6) . . ?
C00D Ag1 C00E 159.5(6) . . ?
C00D Ag1 C00I 28.6(6) . . ?
C00E Ag1 Au01 41.4(4) . . ?
C00E Ag1 Au02 103.1(4) . 2_656 ?
C00E Ag1 Au03 154.7(4) . . ?
C00E Ag1 C00C 28.3(5) . . ?
C00E Ag1 C00I 134.4(6) . . ?
C00I Ag1 Au01 133.4(5) . . ?
C00I Ag1 Au02 113.3(4) . 2_656 ?
C00I Ag1 Au03 68.5(4) . . ?
C00I Ag1 C00C 119.0(6) . . ?
C00K C12 H12A 109.5 . . ?
C00K C12 H12B 109.5 . . ?
C00K C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C00K C1AA H1AA 109.5 . . ?
C00K C1AA H1AB 109.5 . . ?
C00K C1AA H1AC 109.5 . . ?
H1AA C1AA H1AB 109.5 . . ?
H1AA C1AA H1AC 109.5 . . ?
H1AB C1AA H1AC 109.5 . . ?
C00H C2AA H2AA 109.4 . . ?
C00H C2AA H2AB 109.5 . . ?
C00H C2AA H2AC 109.5 . . ?
H2AA C2AA H2AB 109.5 . . ?
H2AA C2AA H2AC 109.5 . . ?
H2AB C2AA H2AC 109.5 . . ?
C00K C0AA H0AA 109.5 . . ?
C00K C0AA H0AB 109.4 . . ?
C00K C0AA H0AC 109.5 . . ?
H0AA C0AA H0AB 109.5 . . ?
H0AA C0AA H0AC 109.5 . . ?
H0AB C0AA H0AC 109.5 . . ?
C00J C17 H17A 109.5 . . ?
C00J C17 H17B 109.5 . . ?
C00J C17 H17C 109.4 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C00H C24 H24A 109.5 . . ?
C00H C24 H24B 109.4 . . ?
C00H C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C00H C48 H48A 111.4 . . ?
C00H C48 H48B 111.3 . . ?
C00H C48 H48C 111.4 . . ?
H48A C48 H48B 107.6 . . ?
H48A C48 H48C 107.5 . . ?
H48B C48 H48C 107.5 . . ?
C15 C3AA H3AA 109.5 . . ?
C15 C3AA H3AB 109.5 . . ?
C15 C3AA H3AC 109.5 . . ?
H3AA C3AA H3AB 109.5 . . ?
H3AA C3AA H3AC 109.5 . . ?
H3AB C3AA H3AC 109.5 . . ?
C15 C27 H27A 109.5 . . ?
C15 C27 H27B 109.5 . . ?
C15 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C00L C4AA C19A 107(3) . . ?
C00L C4AA C14A 105(3) . . ?
C00L C4AA C13A 112(3) . . ?
C19A C4AA C13A 110(3) . . ?
C14A C4AA C19A 112(2) . . ?
C14A C4AA C13A 111(3) . . ?
C4AA C19A H19D 109.5 . . ?
C4AA C19A H19E 109.5 . . ?
C4AA C19A H19F 109.5 . . ?
H19D C19A H19E 109.5 . . ?
H19D C19A H19F 109.5 . . ?
H19E C19A H19F 109.5 . . ?
C4AA C14A H14D 109.5 . . ?
C4AA C14A H14E 109.5 . . ?
C4AA C14A H14F 109.5 . . ?
H14D C14A H14E 109.5 . . ?
H14D C14A H14F 109.5 . . ?
H14E C14A H14F 109.5 . . ?
C4AA C13A H13D 109.5 . . ?
C4AA C13A H13E 109.5 . . ?
C4AA C13A H13F 109.5 . . ?
H13D C13A H13E 109.5 . . ?
H13D C13A H13F 109.5 . . ?
H13E C13A H13F 109.5 . . ?
C17A C5AA C008 112(3) . . ?
C17A C5AA C16A 110(3) . . ?
C16A C5AA C008 117(3) . . ?
C6AA C5AA C008 95(3) . . ?
C6AA C5AA C17A 110(3) . . ?
C6AA C5AA C16A 111(2) . . ?
C5AA C17A H17D 113.3 . . ?
C5AA C17A H17E 113.2 . . ?
C5AA C17A H17F 113.4 . . ?
H17D C17A H17E 105.4 . . ?
H17D C17A H17F 105.4 . . ?
H17E C17A H17F 105.3 . . ?
C5AA C16A H16D 109.4 . . ?
C5AA C16A H16E 109.5 . . ?
C5AA C16A H16F 109.5 . . ?
H16D C16A H16E 109.5 . . ?
H16D C16A H16F 109.5 . . ?
H16E C16A H16F 109.5 . . ?
C5AA C6AA H6AA 109.6 . . ?
C5AA C6AA H6AB 109.5 . . ?
C5AA C6AA H6AC 109.6 . . ?
H6AA C6AA H6AB 109.4 . . ?
H6AA C6AA H6AC 109.4 . . ?
H6AB C6AA H6AC 109.4 . . ?
C00O C11 H11A 109.5 . . ?
C00O C11 H11B 109.5 . . ?
C00O C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C00O C7AA H7AA 109.5 . . ?
C00O C7AA H7AB 109.5 . . ?
C00O C7AA H7AC 109.5 . . ?
H7AA C7AA H7AB 109.5 . . ?
H7AA C7AA H7AC 109.5 . . ?
H7AB C7AA H7AC 109.5 . . ?
C00O C26 H26A 109.5 . . ?
C00O C26 H26B 109.5 . . ?
C00O C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C00C C15A C3AB 104(2) . . ?
C00C C15A C27A 114(2) . . ?
C00C C15A C20A 103(2) . . ?
C3AB C15A C27A 112(2) . . ?
C3AB C15A C20A 112(2) . . ?
C27A C15A C20A 111(2) . . ?
C15A C3AB H3AD 109.5 . . ?
C15A C3AB H3AE 109.5 . . ?
C15A C3AB H3AF 109.5 . . ?
H3AD C3AB H3AE 109.5 . . ?
H3AD C3AB H3AF 109.5 . . ?
H3AE C3AB H3AF 109.5 . . ?
C15A C27A H27D 109.5 . . ?
C15A C27A H27E 109.5 . . ?
C15A C27A H27F 109.5 . . ?
H27D C27A H27E 109.5 . . ?
H27D C27A H27F 109.5 . . ?
H27E C27A H27F 109.5 . . ?
C15A C20A H20D 109.5 . . ?
C15A C20A H20E 109.5 . . ?
C15A C20A H20F 109.5 . . ?
H20D C20A H20E 109.5 . . ?
H20D C20A H20F 109.5 . . ?
H20E C20A H20F 109.5 . . ?
C00F C8AA C2AB 105(2) . . ?
C00F C8AA C48A 110(2) . . ?
C00F C8AA C24A 108(2) . . ?
C2AB C8AA C48A 111(2) . . ?
C24A C8AA C2AB 112(2) . . ?
C24A C8AA C48A 110(2) . . ?
C8AA C2AB H2AD 109.4 . . ?
C8AA C2AB H2AE 109.5 . . ?
C8AA C2AB H2AF 109.5 . . ?
H2AD C2AB H2AE 109.5 . . ?
H2AD C2AB H2AF 109.5 . . ?
H2AE C2AB H2AF 109.5 . . ?
C8AA C48A H48D 109.5 . . ?
C8AA C48A H48E 109.5 . . ?
C8AA C48A H48F 109.4 . . ?
H48D C48A H48E 109.5 . . ?
H48D C48A H48F 109.5 . . ?
H48E C48A H48F 109.5 . . ?
C8AA C24A H24D 109.4 . . ?
C8AA C24A H24E 109.5 . . ?
C8AA C24A H24F 109.6 . . ?
H24D C24A H24E 109.4 . . ?
H24D C24A H24F 109.4 . . ?
H24E C24A H24F 109.4 . . ?
C007 C00P C11A 111(3) . . ?
C007 C00P C7AB 108(3) . . ?
C007 C00P C26A 105(3) . . ?
C7AB C00P C11A 110(2) . . ?
C7AB C00P C26A 114(3) . . ?
C26A C00P C11A 109(2) . . ?
C00P C11A H11D 109.5 . . ?
C00P C11A H11E 109.5 . . ?
C00P C11A H11F 109.5 . . ?
H11D C11A H11E 109.5 . . ?
H11D C11A H11F 109.5 . . ?
H11E C11A H11F 109.5 . . ?
C00P C7AB H7AD 109.4 . . ?
C00P C7AB H7AE 109.5 . . ?
C00P C7AB H7AF 109.5 . . ?
H7AD C7AB H7AE 109.5 . . ?
H7AD C7AB H7AF 109.5 . . ?
H7AE C7AB H7AF 109.5 . . ?
C00P C26A H26D 109.5 . . ?
C00P C26A H26E 109.5 . . ?
C00P C26A H26F 109.5 . . ?
H26D C26A H26E 109.5 . . ?
H26D C26A H26F 109.5 . . ?
H26E C26A H26F 109.5 . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_preparation       ', Luminescent'
