# Electronic Supplementary Material (ESI) for Nanoscale.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_210301f
_audit_block_doi                 10.5517/ccdc.csd.cc27wvxx
_database_code_depnum_ccdc_archive 'CCDC 2082360'
loop_
_audit_author_name
_audit_author_address
'Qilin Guo'
;Huaqiao University
China
;
_audit_update_record             
;
2021-05-07 deposited with the CCDC.	2021-11-02 downloaded from the CCDC.
;
_audit_creation_date             2021-05-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
'tetrakis(μ-1,3-bis(diphenylphosphino)propane)-octakis(μ3-hydrido) -Tetrakis(μ4-cyclohexanethiolato)-octakis(trifluoroacetate)  -octakis(μ4-hydrido)-octacosa-copper-dichloromethane solvate'
_chemical_formula_moiety         'C148 H164 Cu28 F24 O16 P8 S4, C H2 Cl2'
_chemical_formula_sum            'C150 H166 Cl2 Cu28 F24 O16 P8 S4'
_chemical_formula_weight         4977.74
_chemical_melting_point          ?
_chemical_oxdiff_formula         CuS
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'
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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        C2/c
_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                   34.5054(5)
_cell_length_b                   17.4137(2)
_cell_length_c                   33.4531(5)
_cell_angle_alpha                90
_cell_angle_beta                 118.640(2)
_cell_angle_gamma                90
_cell_volume                     17641.5(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    27256
_cell_measurement_temperature    173.00(10)
_cell_measurement_theta_max      76.4310
_cell_measurement_theta_min      2.8660
_shelx_estimated_absorpt_T_max   0.757
_shelx_estimated_absorpt_T_min   0.591
_exptl_absorpt_coefficient_mu    5.883
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.46820
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.874
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             9896
_exptl_crystal_preparation       ?
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0341
_diffrn_reflns_av_unetI/netI     0.0344
_diffrn_reflns_Laue_measured_fraction_full 0.961
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            48374
_diffrn_reflns_point_group_measured_fraction_full 0.961
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         66.598
_diffrn_reflns_theta_min         2.918
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      173.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     58.00 119.00   1.00    0.25    --   48.45  38.00 178.00   61
  2  ω    -35.00  25.00   1.00    0.25    --  -48.45  38.00 178.00   60
  3  ω   -121.00 -37.00   1.00    0.25    --  -48.45 -38.00  23.00   84
  4  ω    -15.00  43.00   1.00    0.25    --   48.45 -38.00  23.00   58
  5  ω    -43.00 -18.00   1.00    0.99    --  -86.25  38.00 178.00   25
  6  ω    -66.00 -14.00   1.00    0.99    --  -86.25  57.00   0.00   52
  7  ω    -38.00 -13.00   1.00    0.99    --  -86.25  38.00 -90.00   25
  8  ω   -105.00 -80.00   1.00    0.99    --  -86.25 -38.00  23.00   25
  9  ω    112.00 177.00   1.00    0.99    --  106.49  38.00 178.00   65
 10  ω     94.00 165.00   1.00    0.99    --  106.49  19.00 150.00   71
 11  ω     95.00 172.00   1.00    0.99    --  106.49  19.00 120.00   77
 12  ω     36.00 105.00   1.00    0.99    --  106.49 -99.00  60.00   69
 13  ω     34.00 106.00   1.00    0.99    --  106.49 -99.00-120.00   72
 14  ω     35.00  66.00   1.00    0.99    --  106.49 -57.00-120.00   31
 15  ω     34.00  66.00   1.00    0.99    --  106.49 -57.00 -90.00   32
 16  ω     38.00  65.00   1.00    0.99    --  106.49 -57.00 -60.00   27
 17  ω     36.00  61.00   1.00    0.99    --  106.49 -57.00  30.00   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0406208000
_diffrn_orient_matrix_UB_12      -0.0076131000
_diffrn_orient_matrix_UB_13      0.0073614000
_diffrn_orient_matrix_UB_21      -0.0284153000
_diffrn_orient_matrix_UB_22      0.0420890000
_diffrn_orient_matrix_UB_23      -0.0453345000
_diffrn_orient_matrix_UB_31      -0.0114003000
_diffrn_orient_matrix_UB_32      -0.0774487000
_diffrn_orient_matrix_UB_33      -0.0253568000
_diffrn_oxdiff_digest_frames     
;
01631866ae4fcfc44bad09c36f95c195bf0085988dc
;
_diffrn_oxdiff_digest_hkl        
;
0150c9d3fd4e99b2d9b4de6c7771727646ca9c
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13529
_reflns_number_total             15334
_reflns_odcompleteness_completeness 98.33
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_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    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         2.362
_refine_diff_density_min         -1.744
_refine_diff_density_rms         0.128
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1100
_refine_ls_number_reflns         15334
_refine_ls_number_restraints     20
_refine_ls_R_factor_all          0.0579
_refine_ls_R_factor_gt           0.0491
_refine_ls_restrained_S_all      1.036
_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)+(0.0713P)²+123.5295P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1320
_refine_ls_wR_factor_ref         0.1371
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 C68-C63
 1.5 with sigma of 0.01
 C66-C65
 1.47 with sigma of 0.001
3. Uiso/Uaniso restraints and constraints
Uanis(C64) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C67) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C68) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
: with sigma of 0.001 and sigma for terminal atoms of 0.002
4. Rigid body (RIGU) restrains
 Cl1, Cl2, C0AA, H0AA, H0AB
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
5. Others
 Sof(F11')=Sof(F10')=Sof(F12')=FVAR(1)
 Sof(F11)=Sof(F10)=Sof(F12)=FVAR(2)
 Fixed Sof: C0AA(0.5) H0AA(0.5) H0AB(0.5)
6.a Ternary CH refined with riding coordinates:
 C30(H30), C63(H63)
6.b Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C16(H16A,H16B), C17(H17A,H17B), C31(H31A,H31B), C32(H32A,
 H32B), C33(H33A,H33B), C34(H34A,H34B), C35(H35A,H35B), C48(H48A,H48B),
 C49(H49A,H49B), C50(H50A,H50B), C64(H64A,H64B), C65(H65A,H65B), C66(H66A,H66B),
  C67(H67A,H67B), C68(H68A,H68B), C0AA(H0AA,H0AB)
6.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C10(H10), C11(H11), C12(H12),
 C13(H13), C14(H14), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23), C25(H25),
  C26(H26), C27(H27), C28(H28), C29(H29), C37(H37), C38(H38), C39(H39),
 C40(H40), C41(H41), C43(H43), C44(H44), C45(H45), C46(H46), C47(H47), C52(H52),
  C53(H53), C54(H54), C55(H55), C56(H56), C58(H58), C59(H59), C60(H60),
 C61(H61), C62(H62)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_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
Cu1 Cu 0.27539(2) 0.34822(4) 0.40490(2) 0.03482(17) Uani 1 1 d . . . . .
H H 0.2603(16) 0.268(3) 0.3828(16) 0.026(12) Uiso 1 1 d . . . . .
HA H 0.2878(12) 0.420(2) 0.4337(12) 0.003(8) Uiso 1 1 d . . . . .
Cu2 Cu 0.31072(2) 0.21235(4) 0.40629(2) 0.03485(17) Uani 1 1 d . . . . .
Cu3 Cu 0.34848(2) 0.39761(4) 0.47812(2) 0.03422(16) Uani 1 1 d . . . . .
Cu4 Cu 0.19664(2) 0.27928(4) 0.34916(2) 0.03029(16) Uani 1 1 d . . . . .
Cu5 Cu 0.23825(2) 0.48570(4) 0.41123(3) 0.04392(19) Uani 1 1 d . . . . .
Cu6 Cu 0.24814(2) 0.22192(4) 0.42697(2) 0.02605(15) Uani 1 1 d . . . . .
HB H 0.2572(16) 0.281(3) 0.4718(16) 0.027(12) Uiso 1 1 d . . . . .
HC H 0.2150(19) 0.363(3) 0.560(2) 0.046(15) Uiso 1 1 d . . . . .
HD H 0.190(2) 0.200(4) 0.394(2) 0.055(17) Uiso 1 1 d . . . . .
Cu7 Cu 0.35824(2) 0.28889(4) 0.53689(2) 0.02890(15) Uani 1 1 d . . . . .
HE H 0.3337(17) 0.379(3) 0.5341(17) 0.034(13) Uiso 1 1 d . . . . .
HF H 0.1645(18) 0.306(3) 0.4547(19) 0.041(14) Uiso 1 1 d . . . . .
Cu8 Cu 0.27674(2) 0.37625(4) 0.48407(2) 0.02604(14) Uani 1 1 d . . . . .
HG H 0.2412(18) 0.442(3) 0.4894(19) 0.041(14) Uiso 1 1 d . . . . .
Cu9 Cu 0.19124(2) 0.41163(4) 0.44710(2) 0.03168(16) Uani 1 1 d . . . . .
Cu10 Cu 0.16649(2) 0.33659(4) 0.51124(2) 0.02953(15) Uani 1 1 d . . . . .
Cu11 Cu 0.23697(2) 0.41317(4) 0.53423(2) 0.02807(15) Uani 1 1 d . . . . .
Cu12 Cu 0.31822(2) 0.35550(4) 0.57335(2) 0.02804(15) Uani 1 1 d . . . . .
Cu13 Cu 0.33976(2) 0.21619(4) 0.59994(2) 0.02740(15) Uani 1 1 d . . . . .
Cu14 Cu 0.28570(2) 0.22327(4) 0.51793(2) 0.02722(15) Uani 1 1 d . . . . .
S1 S 0.18068(3) 0.39413(6) 0.37229(3) 0.0257(2) Uani 1 1 d . . . . .
S2 S 0.36394(3) 0.27326(6) 0.46963(4) 0.0294(2) Uani 1 1 d . . . . .
P1 P 0.17226(4) 0.21707(7) 0.28312(4) 0.0302(2) Uani 1 1 d . . . . .
P2 P 0.32123(4) 0.13544(8) 0.35897(4) 0.0394(3) Uani 1 1 d . . . . .
P3 P 0.38241(4) 0.51163(7) 0.49146(4) 0.0313(2) Uani 1 1 d . . . . .
P4 P 0.23887(4) 0.60730(7) 0.43738(5) 0.0378(3) Uani 1 1 d . . . . .
F1 F 0.27290(19) 0.4680(3) 0.27377(15) 0.1029(17) Uani 1 1 d . . . . .
F2 F 0.33893(17) 0.4714(3) 0.32721(19) 0.0973(15) Uani 1 1 d . . . . .
F3 F 0.2967(2) 0.5688(3) 0.3149(2) 0.110(2) Uani 1 1 d . . . . .
F4 F 0.05265(17) 0.5119(5) 0.38154(18) 0.141(3) Uani 1 1 d . . . . .
F5 F 0.05487(14) 0.5381(3) 0.44292(17) 0.0908(15) Uani 1 1 d . . . . .
F6 F 0.03273(14) 0.4299(3) 0.4140(2) 0.118(2) Uani 1 1 d . . . . .
F7 F 0.3197(2) 0.6319(2) 0.61755(18) 0.1058(18) Uani 1 1 d . . . . .
F8 F 0.3647(3) 0.5616(4) 0.6696(3) 0.207(5) Uani 1 1 d . . . . .
F9 F 0.3020(3) 0.5792(3) 0.6622(2) 0.142(3) Uani 1 1 d . . . . .
O1 O 0.29090(16) 0.3919(2) 0.35737(15) 0.0550(10) Uani 1 1 d . . . . .
O2 O 0.25979(16) 0.5029(3) 0.35882(16) 0.0601(11) Uani 1 1 d . . . . .
O3 O 0.13318(11) 0.4643(2) 0.42990(12) 0.0408(8) Uani 1 1 d . . . . .
O4 O 0.11751(12) 0.4151(2) 0.48278(13) 0.0455(9) Uani 1 1 d . . . . .
O5 O 0.26525(14) 0.4999(2) 0.58049(13) 0.0496(9) Uani 1 1 d . . . . .
O6 O 0.33413(14) 0.4523(2) 0.61057(13) 0.0498(9) Uani 1 1 d . . . . .
O7 O 0.42014(10) 0.2908(2) 0.59164(12) 0.0400(8) Uani 1 1 d . . . . .
O8 O 0.40643(10) 0.2215(2) 0.64019(11) 0.0379(8) Uani 1 1 d . . . . .
C1 C 0.2807(2) 0.4582(4) 0.3474(2) 0.0478(13) Uani 1 1 d . . . . .
C2 C 0.2964(3) 0.4922(4) 0.3147(2) 0.0652(18) Uani 1 1 d . . . . .
C3 C 0.43687(19) 0.4755(3) 0.5827(2) 0.0496(14) Uani 1 1 d . . . . .
H3 H 0.4253 0.4262 0.5750 0.060 Uiso 1 1 calc R . . . .
C4 C 0.4658(2) 0.4924(4) 0.6271(2) 0.0654(18) Uani 1 1 d . . . . .
H4 H 0.4740 0.4543 0.6491 0.078 Uiso 1 1 calc R . . . .
C5 C 0.4829(2) 0.5650(4) 0.6395(2) 0.0613(16) Uani 1 1 d . . . . .
H5 H 0.5018 0.5763 0.6699 0.074 Uiso 1 1 calc R . . . .
C6 C 0.4723(2) 0.6205(4) 0.6072(2) 0.0569(15) Uani 1 1 d . . . . .
H6 H 0.4843 0.6695 0.6153 0.068 Uiso 1 1 calc R . . . .
C7 C 0.44320(19) 0.6033(3) 0.5620(2) 0.0470(13) Uani 1 1 d . . . . .
H7 H 0.4361 0.6410 0.5399 0.056 Uiso 1 1 calc R . . . .
C8 C 0.42467(14) 0.5309(3) 0.54938(16) 0.0323(10) Uani 1 1 d . . . . .
C9 C 0.40584(16) 0.5429(3) 0.45560(18) 0.0390(11) Uani 1 1 d . . . . .
C10 C 0.4416(2) 0.5031(4) 0.4575(2) 0.0557(15) Uani 1 1 d . . . . .
H10 H 0.4536 0.4619 0.4773 0.067 Uiso 1 1 calc R . . . .
C11 C 0.4595(2) 0.5247(4) 0.4299(3) 0.0653(18) Uani 1 1 d . . . . .
H11 H 0.4834 0.4975 0.4314 0.078 Uiso 1 1 calc R . . . .
C12 C 0.4431(2) 0.5839(4) 0.4011(2) 0.0653(18) Uani 1 1 d . . . . .
H12 H 0.4556 0.5975 0.3829 0.078 Uiso 1 1 calc R . . . .
C13 C 0.4077(3) 0.6248(5) 0.3982(3) 0.074(2) Uani 1 1 d . . . . .
H13 H 0.3963 0.6659 0.3781 0.089 Uiso 1 1 calc R . . . .
C14 C 0.3891(2) 0.6043(4) 0.4254(2) 0.0593(16) Uani 1 1 d . . . . .
H14 H 0.3652 0.6320 0.4235 0.071 Uiso 1 1 calc R . . . .
C15 C 0.34215(15) 0.5861(3) 0.48287(18) 0.0356(10) Uani 1 1 d . . . . .
H15A H 0.3565 0.6358 0.4892 0.043 Uiso 1 1 calc R . . . .
H15B H 0.3192 0.5858 0.4513 0.043 Uiso 1 1 calc R . . . .
C16 C 0.32127(16) 0.5740(3) 0.51367(17) 0.0363(10) Uani 1 1 d . . . . .
H16A H 0.3155 0.5197 0.5145 0.044 Uiso 1 1 calc R . . . .
H16B H 0.3422 0.5898 0.5444 0.044 Uiso 1 1 calc R . . . .
C17 C 0.27836(17) 0.6182(3) 0.4983(2) 0.0425(12) Uani 1 1 d . . . . .
H17A H 0.2852 0.6723 0.5049 0.051 Uiso 1 1 calc R . . . .
H17B H 0.2644 0.6008 0.5159 0.051 Uiso 1 1 calc R . . . .
C18 C 0.2567(2) 0.6859(4) 0.4131(2) 0.0538(14) Uani 1 1 d . . . . .
C19 C 0.2644(3) 0.6752(5) 0.3776(3) 0.087(3) Uani 1 1 d . . . . .
H19 H 0.2583 0.6277 0.3631 0.104 Uiso 1 1 calc R . . . .
C20 C 0.2820(4) 0.7364(5) 0.3613(3) 0.096(3) Uani 1 1 d . . . . .
H20 H 0.2877 0.7286 0.3371 0.115 Uiso 1 1 calc R . . . .
C21 C 0.2898(3) 0.8044(5) 0.3823(3) 0.085(2) Uani 1 1 d . . . . .
H21 H 0.3010 0.8440 0.3722 0.102 Uiso 1 1 calc R . . . .
C22 C 0.2822(3) 0.8177(5) 0.4173(3) 0.088(3) Uani 1 1 d . . . . .
H22 H 0.2875 0.8659 0.4308 0.105 Uiso 1 1 calc R . . . .
C23 C 0.2663(3) 0.7584(4) 0.4329(3) 0.072(2) Uani 1 1 d . . . . .
H23 H 0.2618 0.7675 0.4578 0.086 Uiso 1 1 calc R . . . .
C24 C 0.18853(18) 0.6475(3) 0.4344(3) 0.0553(16) Uani 1 1 d . . . . .
C25 C 0.1633(2) 0.6999(4) 0.4010(3) 0.083(3) Uani 1 1 d . . . . .
H25 H 0.1715 0.7159 0.3796 0.099 Uiso 1 1 calc R . . . .
C26 C 0.1246(3) 0.7286(5) 0.4003(5) 0.113(4) Uani 1 1 d . . . . .
H26 H 0.1071 0.7639 0.3781 0.135 Uiso 1 1 calc R . . . .
C27 C 0.1124(3) 0.7053(6) 0.4317(5) 0.114(4) Uani 1 1 d . . . . .
H27 H 0.0866 0.7242 0.4304 0.137 Uiso 1 1 calc R . . . .
C28 C 0.1376(3) 0.6552(5) 0.4645(4) 0.096(3) Uani 1 1 d . . . . .
H28 H 0.1296 0.6404 0.4863 0.115 Uiso 1 1 calc R . . . .
C29 C 0.1753(2) 0.6260(4) 0.4659(3) 0.070(2) Uani 1 1 d . . . . .
H29 H 0.1923 0.5910 0.4886 0.084 Uiso 1 1 calc R . . . .
C30 C 0.12765(16) 0.4386(3) 0.33113(16) 0.0361(11) Uani 1 1 d . . . . .
H30 H 0.1065 0.4288 0.3422 0.043 Uiso 1 1 calc R . . . .
C31 C 0.1325(2) 0.5238(4) 0.3299(3) 0.069(2) Uani 1 1 d . . . . .
H31A H 0.1548 0.5357 0.3211 0.083 Uiso 1 1 calc R . . . .
H31B H 0.1420 0.5451 0.3600 0.083 Uiso 1 1 calc R . . . .
C32 C 0.0881(3) 0.5602(4) 0.2956(3) 0.090(3) Uani 1 1 d . . . . .
H32A H 0.0668 0.5532 0.3063 0.108 Uiso 1 1 calc R . . . .
H32B H 0.0921 0.6149 0.2935 0.108 Uiso 1 1 calc R . . . .
C33 C 0.0704(3) 0.5240(5) 0.2483(3) 0.088(3) Uani 1 1 d . . . . .
H33A H 0.0421 0.5467 0.2276 0.106 Uiso 1 1 calc R . . . .
H33B H 0.0907 0.5340 0.2365 0.106 Uiso 1 1 calc R . . . .
C34 C 0.0652(2) 0.4392(4) 0.2514(2) 0.074(2) Uani 1 1 d . . . . .
H34A H 0.0543 0.4164 0.2214 0.089 Uiso 1 1 calc R . . . .
H34B H 0.0437 0.4295 0.2616 0.089 Uiso 1 1 calc R . . . .
C35 C 0.1094(2) 0.4016(4) 0.28458(19) 0.0571(16) Uani 1 1 d . . . . .
H35A H 0.1051 0.3471 0.2869 0.068 Uiso 1 1 calc R . . . .
H35B H 0.1304 0.4077 0.2732 0.068 Uiso 1 1 calc R . . . .
C36 C 0.12748(15) 0.1488(3) 0.26656(16) 0.0343(10) Uani 1 1 d . . . . .
C37 C 0.10182(19) 0.1511(4) 0.28807(19) 0.0477(13) Uani 1 1 d . . . . .
H37 H 0.1075 0.1878 0.3104 0.057 Uiso 1 1 calc R . . . .
C38 C 0.0676(2) 0.0988(4) 0.2764(2) 0.0625(17) Uani 1 1 d . . . . .
H38 H 0.0496 0.1021 0.2900 0.075 Uiso 1 1 calc R . . . .
C39 C 0.0601(2) 0.0423(4) 0.2450(2) 0.0597(16) Uani 1 1 d . . . . .
H39 H 0.0382 0.0059 0.2384 0.072 Uiso 1 1 calc R . . . .
C40 C 0.0856(2) 0.0398(4) 0.2230(2) 0.0589(16) Uani 1 1 d . . . . .
H40 H 0.0803 0.0021 0.2013 0.071 Uiso 1 1 calc R . . . .
C41 C 0.11849(19) 0.0929(4) 0.2334(2) 0.0500(14) Uani 1 1 d . . . . .
H41 H 0.1350 0.0915 0.2181 0.060 Uiso 1 1 calc R . . . .
C42 C 0.15627(17) 0.2788(3) 0.23385(16) 0.0348(10) Uani 1 1 d . . . . .
C43 C 0.11395(18) 0.2826(3) 0.19804(18) 0.0451(12) Uani 1 1 d . . . . .
H43 H 0.0923 0.2497 0.1972 0.054 Uiso 1 1 calc R . . . .
C44 C 0.1034(2) 0.3349(4) 0.1634(2) 0.0588(16) Uani 1 1 d . . . . .
H44 H 0.0747 0.3377 0.1396 0.071 Uiso 1 1 calc R . . . .
C45 C 0.1352(2) 0.3829(4) 0.1641(2) 0.0624(17) Uani 1 1 d . . . . .
H45 H 0.1282 0.4170 0.1402 0.075 Uiso 1 1 calc R . . . .
C46 C 0.1773(2) 0.3806(4) 0.1998(2) 0.0613(17) Uani 1 1 d . . . . .
H46 H 0.1986 0.4138 0.2003 0.074 Uiso 1 1 calc R . . . .
C47 C 0.18833(19) 0.3294(4) 0.23504(19) 0.0489(13) Uani 1 1 d . . . . .
H47 H 0.2169 0.3285 0.2594 0.059 Uiso 1 1 calc R . . . .
C48 C 0.21742(16) 0.1596(3) 0.28439(17) 0.0378(11) Uani 1 1 d . . . . .
H48A H 0.2080 0.1376 0.2545 0.045 Uiso 1 1 calc R . . . .
H48B H 0.2426 0.1927 0.2916 0.045 Uiso 1 1 calc R . . . .
C49 C 0.23127(17) 0.0954(3) 0.31960(18) 0.0412(11) Uani 1 1 d . . . . .
H49A H 0.2098 0.0541 0.3073 0.049 Uiso 1 1 calc R . . . .
H49B H 0.2309 0.1148 0.3466 0.049 Uiso 1 1 calc R . . . .
C50 C 0.27715(17) 0.0630(3) 0.33336(19) 0.0440(12) Uani 1 1 d . . . . .
H50A H 0.2773 0.0416 0.3066 0.053 Uiso 1 1 calc R . . . .
H50B H 0.2833 0.0216 0.3550 0.053 Uiso 1 1 calc R . . . .
C51 C 0.32441(19) 0.1794(4) 0.3111(2) 0.0515(14) Uani 1 1 d . . . . .
C52 C 0.3268(2) 0.2579(4) 0.3087(3) 0.0640(17) Uani 1 1 d . . . . .
H52 H 0.3280 0.2879 0.3323 0.077 Uiso 1 1 calc R . . . .
C53 C 0.3274(4) 0.2935(5) 0.2717(3) 0.096(3) Uani 1 1 d . . . . .
H53 H 0.3288 0.3467 0.2704 0.115 Uiso 1 1 calc R . . . .
C54 C 0.3260(4) 0.2485(7) 0.2368(4) 0.115(4) Uani 1 1 d . . . . .
H54 H 0.3272 0.2716 0.2124 0.138 Uiso 1 1 calc R . . . .
C55 C 0.3227(4) 0.1711(6) 0.2380(3) 0.100(3) Uani 1 1 d . . . . .
H55 H 0.3211 0.1416 0.2141 0.120 Uiso 1 1 calc R . . . .
C56 C 0.3218(3) 0.1353(5) 0.2749(2) 0.072(2) Uani 1 1 d . . . . .
H56 H 0.3195 0.0821 0.2754 0.086 Uiso 1 1 calc R . . . .
C57 C 0.37142(19) 0.0779(4) 0.3869(2) 0.0534(15) Uani 1 1 d . . . . .
C58 C 0.4048(2) 0.0822(4) 0.3738(3) 0.0681(19) Uani 1 1 d . . . . .
H58 H 0.4008 0.1132 0.3494 0.082 Uiso 1 1 calc R . . . .
C59 C 0.4427(2) 0.0411(5) 0.3966(4) 0.087(3) Uani 1 1 d . . . . .
H59 H 0.4643 0.0424 0.3874 0.104 Uiso 1 1 calc R . . . .
C60 C 0.4489(2) -0.0022(5) 0.4336(3) 0.084(3) Uani 1 1 d . . . . .
H60 H 0.4754 -0.0283 0.4500 0.101 Uiso 1 1 calc R . . . .
C61 C 0.4173(3) -0.0084(5) 0.4469(2) 0.093(3) Uani 1 1 d . . . . .
H61 H 0.4217 -0.0397 0.4713 0.111 Uiso 1 1 calc R . . . .
C62 C 0.3780(3) 0.0336(5) 0.4230(2) 0.074(2) Uani 1 1 d . . . . .
H62 H 0.3563 0.0310 0.4320 0.088 Uiso 1 1 calc R . . . .
C63 C 0.4193(2) 0.2525(6) 0.4779(2) 0.080(3) Uani 1 1 d D . . . .
H63 H 0.4163 0.1975 0.4709 0.096 Uiso 1 1 calc R . . . .
C64 C 0.4262(2) 0.2824(5) 0.4399(3) 0.0654(18) Uani 1 1 d . U . . .
H64A H 0.4222 0.3377 0.4380 0.078 Uiso 1 1 calc R . . . .
H64B H 0.4039 0.2606 0.4114 0.078 Uiso 1 1 calc R . . . .
C65 C 0.4713(3) 0.2640(10) 0.4456(3) 0.148(6) Uani 1 1 d D . . . .
H65A H 0.4695 0.2149 0.4311 0.178 Uiso 1 1 calc R . . . .
H65B H 0.4784 0.3023 0.4290 0.178 Uiso 1 1 calc R . . . .
C66 C 0.5082(3) 0.2603(10) 0.4923(3) 0.153(6) Uani 1 1 d D . . . .
H66A H 0.5321 0.2317 0.4918 0.184 Uiso 1 1 calc R . . . .
H66B H 0.5188 0.3121 0.5021 0.184 Uiso 1 1 calc R . . . .
C67 C 0.4984(2) 0.2258(6) 0.5255(3) 0.091(3) Uani 1 1 d . U . . .
H67A H 0.5221 0.2378 0.5557 0.109 Uiso 1 1 calc R . . . .
H67B H 0.4977 0.1705 0.5219 0.109 Uiso 1 1 calc R . . . .
C68 C 0.4552(3) 0.2514(8) 0.5226(3) 0.119(4) Uani 1 1 d D U . . .
H68A H 0.4480 0.2173 0.5410 0.143 Uiso 1 1 calc R . . . .
H68B H 0.4590 0.3025 0.5354 0.143 Uiso 1 1 calc R . . . .
C69 C 0.42994(16) 0.2549(3) 0.62724(17) 0.0358(11) Uani 1 1 d . . . . .
C70 C 0.48014(18) 0.2482(4) 0.6601(2) 0.0536(15) Uani 1 1 d . . . A 2
C71 C 0.3057(2) 0.4992(3) 0.60673(18) 0.0480(14) Uani 1 1 d . . . . .
C72 C 0.3244(3) 0.5684(4) 0.6396(2) 0.071(2) Uani 1 1 d . . . . .
C73 C 0.10959(17) 0.4511(3) 0.44738(17) 0.0397(11) Uani 1 1 d . . . . .
C74 C 0.0620(2) 0.4827(4) 0.4209(2) 0.0592(17) Uani 1 1 d . . . . .
F11' F 0.4897(3) 0.2374(17) 0.7021(3) 0.093(10) Uani 0.54(4) 1 d . . P A 2
F10' F 0.4977(4) 0.1958(13) 0.6475(6) 0.098(11) Uani 0.54(4) 1 d . . P A 2
F12' F 0.5014(4) 0.3100(11) 0.6607(8) 0.104(12) Uani 0.54(4) 1 d . . P A 2
F11 F 0.4915(4) 0.1864(12) 0.6828(11) 0.116(17) Uani 0.46(5) 1 d . . P A 1
F10 F 0.5030(4) 0.248(2) 0.6376(5) 0.109(12) Uani 0.46(5) 1 d . . P A 1
F12 F 0.4943(7) 0.3046(16) 0.6864(11) 0.14(2) Uani 0.46(5) 1 d . . P A 1
Cl1 Cl 0.4785(4) 0.8011(6) 0.8251(4) 0.356(5) Uiso 1 1 d . U . B 3
Cl2 Cl 0.4402(5) 0.7038(10) 0.7570(5) 0.497(9) Uiso 1 1 d . U . B 3
C0AA C 0.4924(13) 0.757(2) 0.7768(12) 0.189(14) Uiso 0.5 1 d . U P B 3
H0AA H 0.4922 0.7948 0.7552 0.226 Uiso 0.5 1 calc R U P B 3
H0AB H 0.5186 0.7253 0.7887 0.226 Uiso 0.5 1 calc R U P B 3


_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
Cu1 H 1.56(5) . ?
Cu1 HA 1.51(4) . ?
Cu1 Cu2 2.6518(10) . ?
Cu1 Cu3 2.6793(10) . ?
Cu1 Cu4 2.7284(10) . ?
Cu1 Cu5 2.7709(10) . ?
Cu1 Cu6 2.6329(9) . ?
Cu1 Cu8 2.6714(9) . ?
Cu1 O1 2.051(4) . ?
Cu2 H 1.80(5) . ?
Cu2 Cu6 2.5694(9) . ?
Cu2 Cu10 2.6224(9) 7_556 ?
Cu2 S2 2.2927(13) . ?
Cu2 P2 2.2319(14) . ?
Cu3 HA 1.94(4) . ?
Cu3 Cu7 2.6321(9) . ?
Cu3 Cu8 2.6036(9) . ?
Cu3 S2 2.2801(13) . ?
Cu3 P3 2.2385(13) . ?
Cu4 H 1.94(5) . ?
Cu4 Cu6 2.5490(9) . ?
Cu4 Cu13 2.5563(9) 7_556 ?
Cu4 S1 2.3044(12) . ?
Cu4 P1 2.2316(13) . ?
Cu5 HA 1.89(4) . ?
Cu5 Cu8 2.8690(10) . ?
Cu5 Cu9 2.7566(11) . ?
Cu5 S1 2.3885(13) . ?
Cu5 P4 2.2873(15) . ?
Cu5 O2 2.229(4) . ?
Cu6 H 1.90(5) . ?
Cu6 HB 1.72(5) . ?
Cu6 HD 1.81(6) . ?
Cu6 Cu10 2.8551(9) 7_556 ?
Cu6 Cu11 2.6158(9) 7_556 ?
Cu6 Cu12 2.6527(9) 7_556 ?
Cu6 Cu13 2.9247(9) 7_556 ?
Cu6 Cu14 2.7811(9) 7_556 ?
Cu6 Cu14 2.6755(9) . ?
Cu7 HE 1.76(5) . ?
Cu7 Cu8 2.9295(9) . ?
Cu7 Cu10 2.6035(9) 7_556 ?
Cu7 Cu12 2.5209(9) . ?
Cu7 Cu13 2.7833(9) . ?
Cu7 Cu14 2.5399(9) . ?
Cu7 S2 2.3664(12) . ?
Cu7 O7 2.041(3) . ?
Cu8 HA 2.04(4) . ?
Cu8 HB 1.77(5) . ?
Cu8 HE 1.87(5) . ?
Cu8 HG 1.75(5) . ?
Cu8 Cu9 2.6673(9) . ?
Cu8 Cu11 2.7056(9) . ?
Cu8 Cu12 2.6462(9) . ?
Cu8 Cu14 2.7408(9) 7_556 ?
Cu8 Cu14 2.8529(9) . ?
Cu9 HG 1.71(5) . ?
Cu9 Cu10 2.9661(9) . ?
Cu9 Cu11 2.5648(9) . ?
Cu9 Cu13 2.6384(9) 7_556 ?
Cu9 Cu14 2.5745(9) 7_556 ?
Cu9 S1 2.3695(12) . ?
Cu9 O3 2.020(3) . ?
Cu10 Cu2 2.6224(9) 7_556 ?
Cu10 Cu6 2.8550(9) 7_556 ?
Cu10 HC 1.75(6) . ?
Cu10 Cu7 2.6034(9) 7_556 ?
Cu10 HF 1.94(5) . ?
Cu10 Cu11 2.5476(9) . ?
Cu10 Cu14 2.5104(9) 7_556 ?
Cu10 S2 2.4116(13) 7_556 ?
Cu10 O4 2.023(3) . ?
Cu11 Cu6 2.6159(9) 7_556 ?
Cu11 HC 1.66(6) . ?
Cu11 HG 1.66(5) . ?
Cu11 Cu12 2.6580(9) . ?
Cu11 Cu14 2.8273(9) 7_556 ?
Cu11 O5 2.045(4) . ?
Cu12 Cu6 2.6526(9) 7_556 ?
Cu12 HE 1.69(5) . ?
Cu12 Cu13 2.5679(9) . ?
Cu12 Cu14 2.8291(9) . ?
Cu12 O6 2.009(4) . ?
Cu13 Cu4 2.5563(9) 7_556 ?
Cu13 Cu6 2.9246(9) 7_556 ?
Cu13 Cu9 2.6384(9) 7_556 ?
Cu13 Cu14 2.4730(9) . ?
Cu13 S1 2.3831(12) 7_556 ?
Cu13 O8 2.036(3) . ?
Cu14 Cu6 2.7810(9) 7_556 ?
Cu14 HB 1.70(5) . ?
Cu14 Cu8 2.7409(9) 7_556 ?
Cu14 Cu9 2.5745(9) 7_556 ?
Cu14 Cu10 2.5104(9) 7_556 ?
Cu14 Cu11 2.8274(9) 7_556 ?
Cu14 Cu14 2.3544(12) 7_556 ?
S1 Cu13 2.3832(12) 7_556 ?
S1 C30 1.852(5) . ?
S2 Cu10 2.4116(13) 7_556 ?
S2 C63 1.828(6) . ?
P1 C36 1.813(5) . ?
P1 C42 1.818(5) . ?
P1 C48 1.835(5) . ?
P2 C50 1.841(6) . ?
P2 C51 1.826(6) . ?
P2 C57 1.823(6) . ?
P3 C8 1.812(5) . ?
P3 C9 1.822(5) . ?
P3 C15 1.819(5) . ?
P4 C17 1.840(6) . ?
P4 C18 1.841(6) . ?
P4 C24 1.830(6) . ?
F1 C2 1.283(8) . ?
F2 C2 1.369(9) . ?
F3 C2 1.335(8) . ?
F4 C74 1.299(8) . ?
F5 C74 1.308(8) . ?
F6 C74 1.302(9) . ?
F7 C72 1.295(8) . ?
F8 C72 1.271(9) . ?
F9 C72 1.328(11) . ?
O1 C1 1.207(7) . ?
O2 C1 1.242(7) . ?
O3 C73 1.230(6) . ?
O4 C73 1.249(6) . ?
O5 C71 1.244(7) . ?
O6 C71 1.234(7) . ?
O7 C69 1.240(6) . ?
O8 C69 1.234(6) . ?
C1 C2 1.549(8) . ?
C3 H3 0.9300 . ?
C3 C4 1.365(9) . ?
C3 C8 1.379(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.372(10) . ?
C5 H5 0.9300 . ?
C5 C6 1.362(9) . ?
C6 H6 0.9300 . ?
C6 C7 1.388(8) . ?
C7 H7 0.9300 . ?
C7 C8 1.385(7) . ?
C9 C10 1.391(8) . ?
C9 C14 1.393(8) . ?
C10 H10 0.9300 . ?
C10 C11 1.385(8) . ?
C11 H11 0.9300 . ?
C11 C12 1.337(10) . ?
C12 H12 0.9300 . ?
C12 C13 1.377(11) . ?
C13 H13 0.9300 . ?
C13 C14 1.389(9) . ?
C14 H14 0.9300 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.528(7) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C17 1.523(7) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 C19 1.349(11) . ?
C18 C23 1.391(10) . ?
C19 H19 0.9300 . ?
C19 C20 1.455(12) . ?
C20 H20 0.9300 . ?
C20 C21 1.336(13) . ?
C21 H21 0.9300 . ?
C21 C22 1.335(12) . ?
C22 H22 0.9300 . ?
C22 C23 1.385(10) . ?
C23 H23 0.9300 . ?
C24 C25 1.381(10) . ?
C24 C29 1.387(10) . ?
C25 H25 0.9300 . ?
C25 C26 1.416(12) . ?
C26 H26 0.9300 . ?
C26 C27 1.367(17) . ?
C27 H27 0.9300 . ?
C27 C28 1.344(16) . ?
C28 H28 0.9300 . ?
C28 C29 1.375(10) . ?
C29 H29 0.9300 . ?
C30 H30 0.9800 . ?
C30 C31 1.496(8) . ?
C30 C35 1.516(8) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C31 C32 1.542(9) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C32 C33 1.532(12) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C33 C34 1.497(11) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C34 C35 1.539(8) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 C37 1.383(7) . ?
C36 C41 1.395(7) . ?
C37 H37 0.9300 . ?
C37 C38 1.392(8) . ?
C38 H38 0.9300 . ?
C38 C39 1.369(10) . ?
C39 H39 0.9300 . ?
C39 C40 1.389(9) . ?
C40 H40 0.9300 . ?
C40 C41 1.374(8) . ?
C41 H41 0.9300 . ?
C42 C43 1.376(7) . ?
C42 C47 1.400(8) . ?
C43 H43 0.9300 . ?
C43 C44 1.378(8) . ?
C44 H44 0.9300 . ?
C44 C45 1.370(10) . ?
C45 H45 0.9300 . ?
C45 C46 1.370(10) . ?
C46 H46 0.9300 . ?
C46 C47 1.378(9) . ?
C47 H47 0.9300 . ?
C48 H48A 0.9700 . ?
C48 H48B 0.9700 . ?
C48 C49 1.526(8) . ?
C49 H49A 0.9700 . ?
C49 H49B 0.9700 . ?
C49 C50 1.529(7) . ?
C50 H50A 0.9700 . ?
C50 H50B 0.9700 . ?
C51 C52 1.373(10) . ?
C51 C56 1.402(9) . ?
C52 H52 0.9300 . ?
C52 C53 1.394(10) . ?
C53 H53 0.9300 . ?
C53 C54 1.386(13) . ?
C54 H54 0.9300 . ?
C54 C55 1.354(15) . ?
C55 H55 0.9300 . ?
C55 C56 1.395(11) . ?
C56 H56 0.9300 . ?
C57 C58 1.417(9) . ?
C57 C62 1.359(10) . ?
C58 H58 0.9300 . ?
C58 C59 1.360(10) . ?
C59 H59 0.9300 . ?
C59 C60 1.375(13) . ?
C60 H60 0.9300 . ?
C60 C61 1.364(13) . ?
C61 H61 0.9300 . ?
C61 C62 1.406(10) . ?
C62 H62 0.9300 . ?
C63 H63 0.9800 . ?
C63 C64 1.496(9) . ?
C63 C68 1.411(8) . ?
C64 H64A 0.9700 . ?
C64 H64B 0.9700 . ?
C64 C65 1.510(11) . ?
C65 H65A 0.9700 . ?
C65 H65B 0.9700 . ?
C65 C66 1.4694(10) . ?
C66 H66A 0.9700 . ?
C66 H66B 0.9700 . ?
C66 C67 1.442(13) . ?
C67 H67A 0.9700 . ?
C67 H67B 0.9700 . ?
C67 C68 1.512(11) . ?
C68 H68A 0.9700 . ?
C68 H68B 0.9700 . ?
C69 C70 1.548(7) . ?
C70 F11' 1.293(12) . ?
C70 F10' 1.273(12) . ?
C70 F12' 1.297(14) . ?
C70 F11 1.266(13) . ?
C70 F10 1.325(15) . ?
C70 F12 1.251(17) . ?
C71 C72 1.549(8) . ?
C73 C74 1.546(7) . ?
Cl1 C0AA 2.04(3) . ?
Cl2 C0AA 1.85(4) . ?
C0AA H0AA 0.9700 . ?
C0AA H0AB 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
H Cu1 HA 168(2) . . ?
Cu2 Cu1 H 41.3(18) . . ?
Cu2 Cu1 HA 137.8(14) . . ?
Cu2 Cu1 Cu3 92.69(3) . . ?
Cu2 Cu1 Cu4 85.31(3) . . ?
Cu2 Cu1 Cu5 174.30(4) . . ?
Cu2 Cu1 Cu8 110.87(3) . . ?
Cu3 Cu1 H 132.7(18) . . ?
Cu3 Cu1 HA 45.3(14) . . ?
Cu3 Cu1 Cu4 163.49(3) . . ?
Cu3 Cu1 Cu5 85.41(3) . . ?
Cu4 Cu1 H 44.1(18) . . ?
Cu4 Cu1 HA 133.2(14) . . ?
Cu4 Cu1 Cu5 94.98(3) . . ?
Cu5 Cu1 H 139.1(18) . . ?
Cu5 Cu1 HA 40.1(14) . . ?
Cu6 Cu1 H 45.3(17) . . ?
Cu6 Cu1 HA 122.9(14) . . ?
Cu6 Cu1 Cu2 58.18(3) . . ?
Cu6 Cu1 Cu3 108.54(3) . . ?
Cu6 Cu1 Cu4 56.74(2) . . ?
Cu6 Cu1 Cu5 117.38(3) . . ?
Cu6 Cu1 Cu8 73.35(3) . . ?
Cu8 Cu1 H 118.7(17) . . ?
Cu8 Cu1 HA 49.5(14) . . ?
Cu8 Cu1 Cu3 58.23(2) . . ?
Cu8 Cu1 Cu4 107.24(3) . . ?
Cu8 Cu1 Cu5 63.60(3) . . ?
O1 Cu1 H 96.7(17) . . ?
O1 Cu1 HA 95.1(14) . . ?
O1 Cu1 Cu2 93.18(12) . . ?
O1 Cu1 Cu3 96.24(14) . . ?
O1 Cu1 Cu4 100.23(14) . . ?
O1 Cu1 Cu5 92.37(12) . . ?
O1 Cu1 Cu6 141.97(12) . . ?
O1 Cu1 Cu8 144.47(13) . . ?
Cu1 Cu2 H 34.7(15) . . ?
Cu6 Cu2 Cu1 60.54(2) . . ?
Cu6 Cu2 H 47.5(15) . . ?
Cu6 Cu2 Cu10 66.71(3) . 7_556 ?
Cu10 Cu2 Cu1 102.24(3) 7_556 . ?
Cu10 Cu2 H 111.9(15) 7_556 . ?
S2 Cu2 Cu1 76.19(4) . . ?
S2 Cu2 H 109.5(15) . . ?
S2 Cu2 Cu6 97.20(4) . . ?
S2 Cu2 Cu10 58.31(3) . 7_556 ?
P2 Cu2 Cu1 138.82(5) . . ?
P2 Cu2 H 117.4(15) . . ?
P2 Cu2 Cu6 132.31(5) . . ?
P2 Cu2 Cu10 118.84(5) . 7_556 ?
P2 Cu2 S2 127.06(5) . . ?
Cu1 Cu3 HA 33.5(11) . . ?
Cu7 Cu3 Cu1 100.33(3) . . ?
Cu7 Cu3 HA 114.9(11) . . ?
Cu8 Cu3 Cu1 60.73(2) . . ?
Cu8 Cu3 HA 51.0(11) . . ?
Cu8 Cu3 Cu7 68.04(3) . . ?
S2 Cu3 Cu1 75.83(4) . . ?
S2 Cu3 HA 109.0(11) . . ?
S2 Cu3 Cu7 57.06(3) . . ?
S2 Cu3 Cu8 99.30(4) . . ?
P3 Cu3 Cu1 129.80(5) . . ?
P3 Cu3 HA 104.1(11) . . ?
P3 Cu3 Cu7 128.43(5) . . ?
P3 Cu3 Cu8 122.47(4) . . ?
P3 Cu3 S2 137.40(5) . . ?
Cu1 Cu4 H 33.9(14) . . ?
Cu6 Cu4 Cu1 59.74(2) . . ?
Cu6 Cu4 H 47.6(14) . . ?
Cu6 Cu4 Cu13 69.90(3) . 7_556 ?
Cu13 Cu4 Cu1 100.22(3) 7_556 . ?
Cu13 Cu4 H 113.5(14) 7_556 . ?
S1 Cu4 Cu1 73.06(3) . . ?
S1 Cu4 H 106.5(14) . . ?
S1 Cu4 Cu6 99.15(4) . . ?
S1 Cu4 Cu13 58.45(3) . 7_556 ?
P1 Cu4 Cu1 132.04(4) . . ?
P1 Cu4 H 107.9(14) . . ?
P1 Cu4 Cu6 124.63(4) . . ?
P1 Cu4 Cu13 127.01(4) . 7_556 ?
P1 Cu4 S1 135.75(5) . . ?
Cu1 Cu5 HA 31.0(11) . . ?
Cu1 Cu5 Cu8 56.51(2) . . ?
Cu8 Cu5 HA 45.3(11) . . ?
Cu9 Cu5 Cu1 91.10(3) . . ?
Cu9 Cu5 HA 98.8(11) . . ?
Cu9 Cu5 Cu8 56.56(2) . . ?
S1 Cu5 Cu1 71.08(3) . . ?
S1 Cu5 HA 99.8(11) . . ?
S1 Cu5 Cu8 86.86(4) . . ?
S1 Cu5 Cu9 54.27(3) . . ?
P4 Cu5 Cu1 155.39(5) . . ?
P4 Cu5 HA 124.6(11) . . ?
P4 Cu5 Cu8 111.99(5) . . ?
P4 Cu5 Cu9 99.58(5) . . ?
P4 Cu5 S1 132.81(5) . . ?
O2 Cu5 Cu1 73.45(11) . . ?
O2 Cu5 HA 79.3(11) . . ?
O2 Cu5 Cu8 124.36(12) . . ?
O2 Cu5 Cu9 153.27(13) . . ?
O2 Cu5 S1 99.47(13) . . ?
O2 Cu5 P4 103.35(13) . . ?
Cu1 Cu6 H 35.8(14) . . ?
Cu1 Cu6 HB 78.8(16) . . ?
Cu1 Cu6 HD 116(2) . . ?
Cu1 Cu6 Cu10 96.77(3) . 7_556 ?
Cu1 Cu6 Cu12 147.88(3) . 7_556 ?
Cu1 Cu6 Cu13 93.61(3) . 7_556 ?
Cu1 Cu6 Cu14 102.65(3) . 7_556 ?
Cu1 Cu6 Cu14 105.55(3) . . ?
H Cu6 HB 115(2) . . ?
H Cu6 HD 102(2) . . ?
Cu2 Cu6 Cu1 61.28(3) . . ?
Cu2 Cu6 H 44.5(14) . . ?
Cu2 Cu6 HB 116.7(16) . . ?
Cu2 Cu6 HD 130.4(19) . . ?
Cu2 Cu6 Cu10 57.53(2) . 7_556 ?
Cu2 Cu6 Cu11 94.85(3) . 7_556 ?
Cu2 Cu6 Cu12 143.24(3) . 7_556 ?
Cu2 Cu6 Cu13 145.33(3) . 7_556 ?
Cu2 Cu6 Cu14 151.01(3) . 7_556 ?
Cu2 Cu6 Cu14 107.17(3) . . ?
Cu4 Cu6 Cu1 63.52(3) . . ?
Cu4 Cu6 H 49.1(15) . . ?
Cu4 Cu6 Cu2 90.85(3) . . ?
Cu4 Cu6 HB 113.8(16) . . ?
Cu4 Cu6 HD 55(2) . . ?
Cu4 Cu6 Cu10 148.38(3) . 7_556 ?
Cu4 Cu6 Cu11 137.23(3) . 7_556 ?
Cu4 Cu6 Cu12 90.98(3) . 7_556 ?
Cu4 Cu6 Cu13 55.17(2) . 7_556 ?
Cu4 Cu6 Cu14 103.52(3) . 7_556 ?
Cu4 Cu6 Cu14 151.47(3) . . ?
HB Cu6 HD 110(3) . . ?
Cu10 Cu6 H 100.2(15) 7_556 . ?
Cu10 Cu6 HB 83.6(16) 7_556 . ?
Cu10 Cu6 HD 146(2) 7_556 . ?
Cu10 Cu6 Cu13 155.82(3) 7_556 7_556 ?
Cu11 Cu6 Cu1 151.48(3) 7_556 . ?
Cu11 Cu6 H 134.4(14) 7_556 . ?
Cu11 Cu6 HB 101.2(16) 7_556 . ?
Cu11 Cu6 HD 91(2) 7_556 . ?
Cu11 Cu6 Cu10 55.30(2) 7_556 7_556 ?
Cu11 Cu6 Cu12 60.59(2) 7_556 7_556 ?
Cu11 Cu6 Cu13 114.35(3) 7_556 7_556 ?
Cu11 Cu6 Cu14 64.59(2) 7_556 . ?
Cu11 Cu6 Cu14 91.43(3) 7_556 7_556 ?
Cu12 Cu6 H 136.4(15) 7_556 . ?
Cu12 Cu6 HB 95.9(16) 7_556 . ?
Cu12 Cu6 HD 36(2) 7_556 . ?
Cu12 Cu6 Cu10 114.25(3) 7_556 7_556 ?
Cu12 Cu6 Cu13 54.56(2) 7_556 7_556 ?
Cu12 Cu6 Cu14 87.47(3) 7_556 . ?
Cu12 Cu6 Cu14 62.70(2) 7_556 7_556 ?
Cu13 Cu6 H 101.0(14) 7_556 . ?
Cu13 Cu6 HB 77.1(16) 7_556 . ?
Cu13 Cu6 HD 37(2) 7_556 . ?
Cu14 Cu6 H 135.7(15) . . ?
Cu14 Cu6 H 134.0(14) 7_556 . ?
Cu14 Cu6 HB 38.3(16) . . ?
Cu14 Cu6 HB 34.4(16) 7_556 . ?
Cu14 Cu6 HD 119.5(19) . . ?
Cu14 Cu6 HD 77.6(19) 7_556 . ?
Cu14 Cu6 Cu10 53.87(2) . 7_556 ?
Cu14 Cu6 Cu10 104.94(3) 7_556 7_556 ?
Cu14 Cu6 Cu13 102.27(3) . 7_556 ?
Cu14 Cu6 Cu13 51.29(2) 7_556 7_556 ?
Cu14 Cu6 Cu14 51.08(2) . 7_556 ?
Cu3 Cu7 HE 55.5(16) . . ?
Cu3 Cu7 Cu8 55.52(2) . . ?
Cu3 Cu7 Cu13 154.08(3) . . ?
Cu8 Cu7 HE 37.6(17) . . ?
Cu10 Cu7 Cu3 104.78(3) 7_556 . ?
Cu10 Cu7 HE 135.0(17) 7_556 . ?
Cu10 Cu7 Cu8 97.32(3) 7_556 . ?
Cu10 Cu7 Cu13 87.74(3) 7_556 . ?
Cu12 Cu7 Cu3 97.29(3) . . ?
Cu12 Cu7 HE 41.9(16) . . ?
Cu12 Cu7 Cu8 57.51(2) . . ?
Cu12 Cu7 Cu10 126.31(3) . 7_556 ?
Cu12 Cu7 Cu13 57.66(2) . . ?
Cu12 Cu7 Cu14 67.98(3) . . ?
Cu13 Cu7 HE 99.6(16) . . ?
Cu13 Cu7 Cu8 101.01(3) . . ?
Cu14 Cu7 Cu3 112.28(3) . . ?
Cu14 Cu7 HE 89.8(17) . . ?
Cu14 Cu7 Cu8 62.40(2) . . ?
Cu14 Cu7 Cu10 58.41(2) . 7_556 ?
Cu14 Cu7 Cu13 55.14(2) . . ?
S2 Cu7 Cu3 53.96(3) . . ?
S2 Cu7 HE 107.9(17) . . ?
S2 Cu7 Cu8 88.82(3) . . ?
S2 Cu7 Cu10 57.82(3) . 7_556 ?
S2 Cu7 Cu12 145.84(4) . . ?
S2 Cu7 Cu13 145.27(4) . . ?
S2 Cu7 Cu14 103.40(4) . . ?
O7 Cu7 Cu3 111.27(10) . . ?
O7 Cu7 HE 107.6(17) . . ?
O7 Cu7 Cu8 145.26(11) . . ?
O7 Cu7 Cu10 117.42(11) . 7_556 ?
O7 Cu7 Cu12 97.96(11) . . ?
O7 Cu7 Cu13 81.30(10) . . ?
O7 Cu7 Cu14 135.51(10) . . ?
O7 Cu7 S2 109.09(11) . . ?
Cu1 Cu8 HA 34.1(10) . . ?
Cu1 Cu8 Cu5 59.89(3) . . ?
Cu1 Cu8 HB 77.0(15) . . ?
Cu1 Cu8 Cu7 93.37(3) . . ?
Cu1 Cu8 HE 113.6(15) . . ?
Cu1 Cu8 HG 122.7(18) . . ?
Cu1 Cu8 Cu11 152.29(3) . . ?
Cu1 Cu8 Cu14 102.73(3) . 7_556 ?
Cu1 Cu8 Cu14 99.79(3) . . ?
HA Cu8 HB 111.1(18) . . ?
HA Cu8 HE 101.4(19) . . ?
HA Cu8 HG 105(2) . . ?
Cu3 Cu8 Cu1 61.04(3) . . ?
Cu3 Cu8 HA 47.5(10) . . ?
Cu3 Cu8 Cu5 84.85(3) . . ?
Cu3 Cu8 HB 112.8(15) . . ?
Cu3 Cu8 Cu7 56.44(2) . . ?
Cu3 Cu8 HE 55.6(15) . . ?
Cu3 Cu8 HG 130.7(18) . . ?
Cu3 Cu8 Cu9 144.33(3) . . ?
Cu3 Cu8 Cu11 142.85(3) . . ?
Cu3 Cu8 Cu12 94.94(3) . . ?
Cu3 Cu8 Cu14 103.75(3) . . ?
Cu3 Cu8 Cu14 148.61(3) . 7_556 ?
Cu5 Cu8 HA 41.0(10) . . ?
Cu5 Cu8 HB 117.2(15) . . ?
Cu5 Cu8 Cu7 140.99(3) . . ?
Cu5 Cu8 HE 127.1(16) . . ?
Cu5 Cu8 HG 65.7(18) . . ?
HB Cu8 HE 110(2) . . ?
HB Cu8 HG 116(2) . . ?
Cu7 Cu8 HA 100.8(10) . . ?
Cu7 Cu8 HB 78.5(15) . . ?
Cu7 Cu8 HE 34.9(16) . . ?
Cu7 Cu8 HG 142.8(18) . . ?
HE Cu8 HG 112(2) . . ?
Cu9 Cu8 Cu1 95.31(3) . . ?
Cu9 Cu8 HA 97.6(10) . . ?
Cu9 Cu8 Cu5 59.59(3) . . ?
Cu9 Cu8 HB 84.0(15) . . ?
Cu9 Cu8 Cu7 158.17(3) . . ?
Cu9 Cu8 HE 149.6(15) . . ?
Cu9 Cu8 HG 39.0(18) . . ?
Cu9 Cu8 Cu11 57.02(2) . . ?
Cu9 Cu8 Cu14 56.83(2) . 7_556 ?
Cu9 Cu8 Cu14 106.57(3) . . ?
Cu11 Cu8 HA 140.6(10) . . ?
Cu11 Cu8 Cu5 101.71(3) . . ?
Cu11 Cu8 HB 96.7(15) . . ?
Cu11 Cu8 Cu7 112.02(3) . . ?
Cu11 Cu8 HE 93.9(15) . . ?
Cu11 Cu8 HG 36.2(18) . . ?
Cu11 Cu8 Cu14 62.54(2) . 7_556 ?
Cu11 Cu8 Cu14 88.07(3) . . ?
Cu12 Cu8 Cu1 146.83(3) . . ?
Cu12 Cu8 HA 140.2(10) . . ?
Cu12 Cu8 Cu5 146.01(3) . . ?
Cu12 Cu8 HB 94.2(15) . . ?
Cu12 Cu8 Cu7 53.47(2) . . ?
Cu12 Cu8 HE 39.4(15) . . ?
Cu12 Cu8 HG 90.1(18) . . ?
Cu12 Cu8 Cu9 115.76(3) . . ?
Cu12 Cu8 Cu11 59.54(2) . . ?
Cu12 Cu8 Cu14 61.79(2) . . ?
Cu12 Cu8 Cu14 86.26(3) . 7_556 ?
Cu14 Cu8 HA 130.3(10) . . ?
Cu14 Cu8 HA 132.1(10) 7_556 . ?
Cu14 Cu8 Cu5 111.15(3) 7_556 . ?
Cu14 Cu8 Cu5 151.10(3) . . ?
Cu14 Cu8 HB 34.0(15) . . ?
Cu14 Cu8 HB 36.0(15) 7_556 . ?
Cu14 Cu8 Cu7 101.69(3) 7_556 . ?
Cu14 Cu8 Cu7 52.09(2) . . ?
Cu14 Cu8 HE 120.8(15) 7_556 . ?
Cu14 Cu8 HE 78.4(16) . . ?
Cu14 Cu8 HG 80.6(18) 7_556 . ?
Cu14 Cu8 HG 121.4(18) . . ?
Cu14 Cu8 Cu14 49.73(2) 7_556 . ?
Cu5 Cu9 HG 69.1(18) . . ?
Cu5 Cu9 Cu10 162.65(3) . . ?
Cu8 Cu9 Cu5 63.85(3) . . ?
Cu8 Cu9 HG 40.1(18) . . ?
Cu8 Cu9 Cu10 101.58(3) . . ?
Cu10 Cu9 HG 93.7(18) . . ?
Cu11 Cu9 Cu5 108.66(3) . . ?
Cu11 Cu9 Cu8 62.24(2) . . ?
Cu11 Cu9 HG 39.6(18) . . ?
Cu11 Cu9 Cu10 54.27(2) . . ?
Cu11 Cu9 Cu13 122.64(3) . 7_556 ?
Cu11 Cu9 Cu14 66.75(3) . 7_556 ?
Cu13 Cu9 Cu5 106.87(3) 7_556 . ?
Cu13 Cu9 Cu8 97.12(3) 7_556 . ?
Cu13 Cu9 HG 135.8(18) 7_556 . ?
Cu13 Cu9 Cu10 83.38(3) 7_556 . ?
Cu14 Cu9 Cu5 120.44(3) 7_556 . ?
Cu14 Cu9 Cu8 63.02(2) 7_556 . ?
Cu14 Cu9 HG 86.5(18) 7_556 . ?
Cu14 Cu9 Cu10 53.32(2) 7_556 . ?
Cu14 Cu9 Cu13 56.62(2) 7_556 7_556 ?
S1 Cu9 Cu5 54.92(3) . . ?
S1 Cu9 Cu8 92.07(4) . . ?
S1 Cu9 HG 119.9(18) . . ?
S1 Cu9 Cu10 139.07(4) . . ?
S1 Cu9 Cu11 154.31(4) . . ?
S1 Cu9 Cu13 56.53(3) . 7_556 ?
S1 Cu9 Cu14 102.72(4) . 7_556 ?
O3 Cu9 Cu5 111.96(11) . . ?
O3 Cu9 Cu8 164.25(11) . . ?
O3 Cu9 HG 124.3(18) . . ?
O3 Cu9 Cu10 79.38(10) . . ?
O3 Cu9 Cu11 107.74(11) . . ?
O3 Cu9 Cu13 98.60(11) . 7_556 ?
O3 Cu9 Cu14 126.28(11) . 7_556 ?
O3 Cu9 S1 97.36(11) . . ?
Cu2 Cu10 Cu6 55.76(2) 7_556 7_556 ?
Cu2 Cu10 HC 55.0(19) 7_556 . ?
Cu2 Cu10 HF 142.2(16) 7_556 . ?
Cu2 Cu10 Cu9 149.22(3) 7_556 . ?
Cu6 Cu10 HC 39.1(19) 7_556 . ?
Cu6 Cu10 HF 98.6(16) 7_556 . ?
Cu6 Cu10 Cu9 97.24(2) 7_556 . ?
HC Cu10 HF 124(2) . . ?
Cu7 Cu10 Cu2 102.83(3) 7_556 7_556 ?
Cu7 Cu10 Cu6 93.83(3) 7_556 7_556 ?
Cu7 Cu10 HC 132.9(19) 7_556 . ?
Cu7 Cu10 HF 46.8(16) 7_556 . ?
Cu7 Cu10 Cu9 92.59(3) 7_556 . ?
Cu9 Cu10 HC 95.1(19) . . ?
Cu9 Cu10 HF 45.8(16) . . ?
Cu11 Cu10 Cu2 95.22(3) . 7_556 ?
Cu11 Cu10 Cu6 57.58(2) . 7_556 ?
Cu11 Cu10 HC 40.4(19) . . ?
Cu11 Cu10 Cu7 127.49(3) . 7_556 ?
Cu11 Cu10 HF 91.3(16) . . ?
Cu11 Cu10 Cu9 54.81(2) . . ?
Cu14 Cu10 Cu2 110.64(3) 7_556 7_556 ?
Cu14 Cu10 Cu6 59.41(2) 7_556 7_556 ?
Cu14 Cu10 HC 88.0(19) 7_556 . ?
Cu14 Cu10 Cu7 59.53(2) 7_556 7_556 ?
Cu14 Cu10 HF 39.4(16) 7_556 . ?
Cu14 Cu10 Cu9 55.33(2) 7_556 . ?
Cu14 Cu10 Cu11 67.96(3) 7_556 . ?
S2 Cu10 Cu2 53.99(3) 7_556 7_556 ?
S2 Cu10 Cu6 87.37(3) 7_556 7_556 ?
S2 Cu10 HC 107.3(19) 7_556 . ?
S2 Cu10 Cu7 56.15(3) 7_556 7_556 ?
S2 Cu10 HF 102.9(16) 7_556 . ?
S2 Cu10 Cu9 148.70(4) 7_556 . ?
S2 Cu10 Cu11 144.00(4) 7_556 . ?
S2 Cu10 Cu14 102.98(4) 7_556 7_556 ?
O4 Cu10 Cu2 118.46(10) . 7_556 ?
O4 Cu10 Cu6 157.15(12) . 7_556 ?
O4 Cu10 HC 118.2(19) . . ?
O4 Cu10 Cu7 108.91(12) . 7_556 ?
O4 Cu10 HF 95.5(16) . . ?
O4 Cu10 Cu9 80.04(11) . . ?
O4 Cu10 Cu11 104.45(12) . . ?
O4 Cu10 Cu14 130.87(11) . 7_556 ?
O4 Cu10 S2 106.82(12) . 7_556 ?
Cu6 Cu11 HC 45(2) 7_556 . ?
Cu6 Cu11 Cu8 93.24(3) 7_556 . ?
Cu6 Cu11 HG 130.0(19) 7_556 . ?
Cu6 Cu11 Cu12 60.39(2) 7_556 . ?
Cu6 Cu11 Cu14 58.73(2) 7_556 7_556 ?
HC Cu11 HG 155(3) . . ?
Cu8 Cu11 HC 134(2) . . ?
Cu8 Cu11 HG 38.6(19) . . ?
Cu8 Cu11 Cu14 59.34(2) . 7_556 ?
Cu9 Cu11 Cu6 114.96(3) . 7_556 ?
Cu9 Cu11 HC 114(2) . . ?
Cu9 Cu11 Cu8 60.74(2) . . ?
Cu9 Cu11 HG 41.1(19) . . ?
Cu9 Cu11 Cu12 118.99(3) . . ?
Cu9 Cu11 Cu14 56.79(2) . 7_556 ?
Cu10 Cu11 Cu6 67.12(3) . 7_556 ?
Cu10 Cu11 HC 43(2) . . ?
Cu10 Cu11 Cu8 112.51(3) . . ?
Cu10 Cu11 HG 111.9(19) . . ?
Cu10 Cu11 Cu9 70.92(3) . . ?
Cu10 Cu11 Cu12 125.44(3) . . ?
Cu10 Cu11 Cu14 55.39(2) . 7_556 ?
Cu12 Cu11 HC 100(2) . . ?
Cu12 Cu11 Cu8 59.11(2) . . ?
Cu12 Cu11 HG 91.8(18) . . ?
Cu12 Cu11 Cu14 84.31(3) . 7_556 ?
Cu14 Cu11 HC 80(2) 7_556 . ?
Cu14 Cu11 HG 79.4(19) 7_556 . ?
O5 Cu11 Cu6 112.32(11) . 7_556 ?
O5 Cu11 HC 99(2) . . ?
O5 Cu11 Cu8 116.42(13) . . ?
O5 Cu11 HG 104.0(19) . . ?
O5 Cu11 Cu9 132.71(11) . . ?
O5 Cu11 Cu10 130.96(13) . . ?
O5 Cu11 Cu12 84.16(12) . . ?
O5 Cu11 Cu14 168.06(12) . 7_556 ?
Cu6 Cu12 HE 135.5(18) 7_556 . ?
Cu6 Cu12 Cu11 59.02(2) 7_556 . ?
Cu6 Cu12 Cu14 60.87(2) 7_556 . ?
Cu7 Cu12 Cu6 115.86(3) . 7_556 ?
Cu7 Cu12 HE 44.1(17) . . ?
Cu7 Cu12 Cu8 69.03(3) . . ?
Cu7 Cu12 Cu11 128.96(3) . . ?
Cu7 Cu12 Cu13 66.31(3) . . ?
Cu7 Cu12 Cu14 56.33(2) . . ?
Cu8 Cu12 Cu6 93.78(3) . 7_556 ?
Cu8 Cu12 HE 44.8(17) . . ?
Cu8 Cu12 Cu11 61.34(2) . . ?
Cu8 Cu12 Cu14 62.70(2) . . ?
Cu11 Cu12 HE 100.4(17) . . ?
Cu11 Cu12 Cu14 89.51(3) . . ?
Cu13 Cu12 Cu6 68.12(2) . 7_556 ?
Cu13 Cu12 HE 110.4(17) . . ?
Cu13 Cu12 Cu8 115.48(3) . . ?
Cu13 Cu12 Cu11 126.11(3) . . ?
Cu13 Cu12 Cu14 54.28(2) . . ?
Cu14 Cu12 HE 81.9(17) . . ?
O6 Cu12 Cu6 114.07(12) . 7_556 ?
O6 Cu12 Cu7 129.45(13) . . ?
O6 Cu12 HE 100.8(18) . . ?
O6 Cu12 Cu8 115.09(12) . . ?
O6 Cu12 Cu11 84.18(12) . . ?
O6 Cu12 Cu13 129.06(12) . . ?
O6 Cu12 Cu14 173.49(13) . . ?
Cu4 Cu13 Cu6 54.93(2) 7_556 7_556 ?
Cu4 Cu13 Cu7 148.76(3) 7_556 . ?
Cu4 Cu13 Cu9 103.59(3) 7_556 7_556 ?
Cu4 Cu13 Cu12 92.78(3) 7_556 . ?
Cu7 Cu13 Cu6 100.34(3) . 7_556 ?
Cu9 Cu13 Cu6 93.61(3) 7_556 7_556 ?
Cu9 Cu13 Cu7 96.11(3) 7_556 . ?
Cu12 Cu13 Cu6 57.31(2) . 7_556 ?
Cu12 Cu13 Cu7 56.03(2) . . ?
Cu12 Cu13 Cu9 128.54(3) . 7_556 ?
Cu14 Cu13 Cu4 112.78(3) . 7_556 ?
Cu14 Cu13 Cu6 61.35(2) . 7_556 ?
Cu14 Cu13 Cu7 57.43(2) . . ?
Cu14 Cu13 Cu9 60.38(2) . 7_556 ?
Cu14 Cu13 Cu12 68.25(3) . . ?
S1 Cu13 Cu4 55.48(3) 7_556 7_556 ?
S1 Cu13 Cu6 87.70(3) 7_556 7_556 ?
S1 Cu13 Cu7 151.66(4) 7_556 . ?
S1 Cu13 Cu9 56.03(3) 7_556 7_556 ?
S1 Cu13 Cu12 143.69(4) 7_556 . ?
S1 Cu13 Cu14 105.42(4) 7_556 . ?
O8 Cu13 Cu4 108.56(10) . 7_556 ?
O8 Cu13 Cu6 149.70(11) . 7_556 ?
O8 Cu13 Cu7 83.34(10) . . ?
O8 Cu13 Cu9 116.05(11) . 7_556 ?
O8 Cu13 Cu12 103.55(11) . . ?
O8 Cu13 Cu14 138.07(10) . . ?
O8 Cu13 S1 103.32(10) . 7_556 ?
Cu6 Cu14 Cu6 128.92(2) . 7_556 ?
Cu6 Cu14 HB 98.9(16) 7_556 . ?
Cu6 Cu14 HB 38.7(16) . . ?
Cu6 Cu14 Cu8 91.14(3) . 7_556 ?
Cu6 Cu14 Cu8 69.85(2) . . ?
Cu6 Cu14 Cu8 86.71(3) 7_556 . ?
Cu6 Cu14 Cu11 56.68(2) . 7_556 ?
Cu6 Cu14 Cu11 128.14(3) 7_556 7_556 ?
Cu6 Cu14 Cu12 125.19(3) . . ?
Cu6 Cu14 Cu12 56.43(2) 7_556 . ?
Cu7 Cu14 Cu6 99.80(3) . . ?
Cu7 Cu14 Cu6 110.89(3) . 7_556 ?
Cu7 Cu14 HB 91.9(16) . . ?
Cu7 Cu14 Cu8 65.51(2) . . ?
Cu7 Cu14 Cu8 163.66(3) . 7_556 ?
Cu7 Cu14 Cu9 104.13(3) . 7_556 ?
Cu7 Cu14 Cu11 118.70(3) . 7_556 ?
Cu7 Cu14 Cu12 55.69(2) . . ?
Cu8 Cu14 Cu6 70.02(2) 7_556 7_556 ?
Cu8 Cu14 HB 104.1(16) 7_556 . ?
Cu8 Cu14 HB 35.4(16) . . ?
Cu8 Cu14 Cu8 130.27(2) 7_556 . ?
Cu8 Cu14 Cu11 58.12(2) 7_556 7_556 ?
Cu8 Cu14 Cu12 126.21(3) 7_556 . ?
Cu9 Cu14 Cu6 112.62(3) 7_556 . ?
Cu9 Cu14 Cu6 98.53(3) 7_556 7_556 ?
Cu9 Cu14 HB 150.2(16) 7_556 . ?
Cu9 Cu14 Cu8 169.59(3) 7_556 . ?
Cu9 Cu14 Cu8 60.14(2) 7_556 7_556 ?
Cu9 Cu14 Cu11 56.46(2) 7_556 7_556 ?
Cu9 Cu14 Cu12 120.38(3) 7_556 . ?
Cu10 Cu14 Cu6 66.72(3) 7_556 . ?
Cu10 Cu14 Cu6 164.34(3) 7_556 7_556 ?
Cu10 Cu14 HB 95.4(16) 7_556 . ?
Cu10 Cu14 Cu7 62.06(3) 7_556 . ?
Cu10 Cu14 Cu8 112.53(3) 7_556 7_556 ?
Cu10 Cu14 Cu8 101.53(3) 7_556 . ?
Cu10 Cu14 Cu9 71.35(3) 7_556 7_556 ?
Cu10 Cu14 Cu11 56.64(2) 7_556 7_556 ?
Cu10 Cu14 Cu12 117.68(3) 7_556 . ?
Cu11 Cu14 HB 93.8(16) 7_556 . ?
Cu11 Cu14 Cu8 126.47(3) 7_556 . ?
Cu11 Cu14 Cu12 173.68(3) 7_556 . ?
Cu12 Cu14 HB 89.5(16) . . ?
Cu12 Cu14 Cu8 55.51(2) . . ?
Cu13 Cu14 Cu6 67.35(2) . 7_556 ?
Cu13 Cu14 Cu6 163.31(3) . . ?
Cu13 Cu14 HB 146.7(16) . . ?
Cu13 Cu14 Cu7 67.44(3) . . ?
Cu13 Cu14 Cu8 111.57(3) . . ?
Cu13 Cu14 Cu8 99.30(3) . 7_556 ?
Cu13 Cu14 Cu9 62.99(3) . 7_556 ?
Cu13 Cu14 Cu10 97.11(3) . 7_556 ?
Cu13 Cu14 Cu11 118.77(3) . 7_556 ?
Cu13 Cu14 Cu12 57.47(2) . . ?
Cu14 Cu14 Cu6 66.78(3) 7_556 . ?
Cu14 Cu14 Cu6 62.14(3) 7_556 7_556 ?
Cu14 Cu14 HB 45.3(16) 7_556 . ?
Cu14 Cu14 Cu7 127.93(4) 7_556 . ?
Cu14 Cu14 Cu8 62.66(3) 7_556 . ?
Cu14 Cu14 Cu8 67.61(3) 7_556 7_556 ?
Cu14 Cu14 Cu9 127.75(4) 7_556 7_556 ?
Cu14 Cu14 Cu10 133.49(4) 7_556 7_556 ?
Cu14 Cu14 Cu11 96.05(4) 7_556 7_556 ?
Cu14 Cu14 Cu12 90.09(4) 7_556 . ?
Cu14 Cu14 Cu13 129.32(4) 7_556 . ?
Cu4 S1 Cu5 119.50(5) . . ?
Cu4 S1 Cu9 121.72(5) . . ?
Cu4 S1 Cu13 66.07(4) . 7_556 ?
Cu9 S1 Cu5 70.81(4) . . ?
Cu9 S1 Cu13 67.44(4) . 7_556 ?
Cu13 S1 Cu5 130.52(5) 7_556 . ?
C30 S1 Cu4 115.06(16) . . ?
C30 S1 Cu5 113.15(17) . . ?
C30 S1 Cu9 109.17(16) . . ?
C30 S1 Cu13 104.81(17) . 7_556 ?
Cu2 S2 Cu7 122.50(5) . . ?
Cu2 S2 Cu10 67.70(4) . 7_556 ?
Cu3 S2 Cu2 115.02(5) . . ?
Cu3 S2 Cu7 68.98(4) . . ?
Cu3 S2 Cu10 124.24(5) . 7_556 ?
Cu7 S2 Cu10 66.03(3) . 7_556 ?
C63 S2 Cu2 111.4(3) . . ?
C63 S2 Cu3 117.3(3) . . ?
C63 S2 Cu7 115.8(2) . . ?
C63 S2 Cu10 111.0(3) . 7_556 ?
C36 P1 Cu4 118.84(16) . . ?
C36 P1 C42 105.5(2) . . ?
C36 P1 C48 103.9(2) . . ?
C42 P1 Cu4 114.68(16) . . ?
C42 P1 C48 103.2(2) . . ?
C48 P1 Cu4 109.19(16) . . ?
C50 P2 Cu2 111.25(17) . . ?
C51 P2 Cu2 118.0(2) . . ?
C51 P2 C50 105.2(3) . . ?
C57 P2 Cu2 113.85(19) . . ?
C57 P2 C50 103.4(3) . . ?
C57 P2 C51 103.7(3) . . ?
C8 P3 Cu3 116.96(16) . . ?
C8 P3 C9 105.4(2) . . ?
C8 P3 C15 101.5(2) . . ?
C9 P3 Cu3 119.21(18) . . ?
C15 P3 Cu3 108.29(16) . . ?
C15 P3 C9 103.3(2) . . ?
C17 P4 Cu5 112.68(17) . . ?
C17 P4 C18 100.7(3) . . ?
C18 P4 Cu5 117.6(2) . . ?
C24 P4 Cu5 119.89(18) . . ?
C24 P4 C17 101.6(3) . . ?
C24 P4 C18 101.6(3) . . ?
C1 O1 Cu1 114.8(4) . . ?
C1 O2 Cu5 128.4(4) . . ?
C73 O3 Cu9 124.9(3) . . ?
C73 O4 Cu10 122.6(3) . . ?
C71 O5 Cu11 119.6(4) . . ?
C71 O6 Cu12 121.6(4) . . ?
C69 O7 Cu7 122.7(3) . . ?
C69 O8 Cu13 120.9(3) . . ?
O1 C1 O2 130.5(5) . . ?
O1 C1 C2 114.1(5) . . ?
O2 C1 C2 115.4(5) . . ?
F1 C2 F2 106.0(6) . . ?
F1 C2 F3 109.5(6) . . ?
F1 C2 C1 111.8(6) . . ?
F2 C2 C1 111.7(6) . . ?
F3 C2 F2 104.9(6) . . ?
F3 C2 C1 112.6(6) . . ?
C4 C3 H3 119.7 . . ?
C4 C3 C8 120.6(5) . . ?
C8 C3 H3 119.7 . . ?
C3 C4 H4 119.6 . . ?
C3 C4 C5 120.8(6) . . ?
C5 C4 H4 119.6 . . ?
C4 C5 H5 120.0 . . ?
C6 C5 C4 120.1(6) . . ?
C6 C5 H5 120.0 . . ?
C5 C6 H6 120.4 . . ?
C5 C6 C7 119.2(6) . . ?
C7 C6 H6 120.4 . . ?
C6 C7 H7 119.4 . . ?
C8 C7 C6 121.1(5) . . ?
C8 C7 H7 119.4 . . ?
C3 C8 P3 120.8(4) . . ?
C3 C8 C7 118.2(5) . . ?
C7 C8 P3 120.8(4) . . ?
C10 C9 P3 119.2(4) . . ?
C10 C9 C14 117.7(5) . . ?
C14 C9 P3 123.1(4) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 C9 120.4(6) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 H11 119.4 . . ?
C12 C11 C10 121.2(6) . . ?
C12 C11 H11 119.4 . . ?
C11 C12 H12 119.8 . . ?
C11 C12 C13 120.4(6) . . ?
C13 C12 H12 119.8 . . ?
C12 C13 H13 120.2 . . ?
C12 C13 C14 119.6(7) . . ?
C14 C13 H13 120.2 . . ?
C9 C14 H14 119.6 . . ?
C13 C14 C9 120.8(6) . . ?
C13 C14 H14 119.6 . . ?
P3 C15 H15A 109.3 . . ?
P3 C15 H15B 109.3 . . ?
H15A C15 H15B 108.0 . . ?
C16 C15 P3 111.5(3) . . ?
C16 C15 H15A 109.3 . . ?
C16 C15 H15B 109.3 . . ?
C15 C16 H16A 108.9 . . ?
C15 C16 H16B 108.9 . . ?
H16A C16 H16B 107.7 . . ?
C17 C16 C15 113.6(4) . . ?
C17 C16 H16A 108.9 . . ?
C17 C16 H16B 108.9 . . ?
P4 C17 H17A 108.8 . . ?
P4 C17 H17B 108.8 . . ?
C16 C17 P4 113.9(4) . . ?
C16 C17 H17A 108.8 . . ?
C16 C17 H17B 108.8 . . ?
H17A C17 H17B 107.7 . . ?
C19 C18 P4 122.4(6) . . ?
C19 C18 C23 116.3(7) . . ?
C23 C18 P4 121.1(5) . . ?
C18 C19 H19 119.2 . . ?
C18 C19 C20 121.5(8) . . ?
C20 C19 H19 119.2 . . ?
C19 C20 H20 121.1 . . ?
C21 C20 C19 117.8(9) . . ?
C21 C20 H20 121.1 . . ?
C20 C21 H21 118.6 . . ?
C22 C21 C20 122.7(8) . . ?
C22 C21 H21 118.6 . . ?
C21 C22 H22 120.6 . . ?
C21 C22 C23 118.8(9) . . ?
C23 C22 H22 120.6 . . ?
C18 C23 H23 118.6 . . ?
C22 C23 C18 122.8(8) . . ?
C22 C23 H23 118.6 . . ?
C25 C24 P4 120.7(6) . . ?
C25 C24 C29 119.0(7) . . ?
C29 C24 P4 120.3(5) . . ?
C24 C25 H25 121.0 . . ?
C24 C25 C26 118.0(10) . . ?
C26 C25 H25 121.0 . . ?
C25 C26 H26 119.4 . . ?
C27 C26 C25 121.3(10) . . ?
C27 C26 H26 119.4 . . ?
C26 C27 H27 119.9 . . ?
C28 C27 C26 120.2(8) . . ?
C28 C27 H27 119.9 . . ?
C27 C28 H28 120.0 . . ?
C27 C28 C29 119.9(10) . . ?
C29 C28 H28 120.0 . . ?
C24 C29 H29 119.2 . . ?
C28 C29 C24 121.7(9) . . ?
C28 C29 H29 119.2 . . ?
S1 C30 H30 107.3 . . ?
C31 C30 S1 110.6(4) . . ?
C31 C30 H30 107.3 . . ?
C31 C30 C35 113.0(5) . . ?
C35 C30 S1 111.2(4) . . ?
C35 C30 H30 107.3 . . ?
C30 C31 H31A 109.6 . . ?
C30 C31 H31B 109.6 . . ?
C30 C31 C32 110.1(6) . . ?
H31A C31 H31B 108.2 . . ?
C32 C31 H31A 109.6 . . ?
C32 C31 H31B 109.6 . . ?
C31 C32 H32A 109.4 . . ?
C31 C32 H32B 109.4 . . ?
H32A C32 H32B 108.0 . . ?
C33 C32 C31 111.3(7) . . ?
C33 C32 H32A 109.4 . . ?
C33 C32 H32B 109.4 . . ?
C32 C33 H33A 109.7 . . ?
C32 C33 H33B 109.7 . . ?
H33A C33 H33B 108.2 . . ?
C34 C33 C32 109.7(6) . . ?
C34 C33 H33A 109.7 . . ?
C34 C33 H33B 109.7 . . ?
C33 C34 H34A 109.4 . . ?
C33 C34 H34B 109.4 . . ?
C33 C34 C35 111.1(6) . . ?
H34A C34 H34B 108.0 . . ?
C35 C34 H34A 109.4 . . ?
C35 C34 H34B 109.4 . . ?
C30 C35 C34 109.9(5) . . ?
C30 C35 H35A 109.7 . . ?
C30 C35 H35B 109.7 . . ?
C34 C35 H35A 109.7 . . ?
C34 C35 H35B 109.7 . . ?
H35A C35 H35B 108.2 . . ?
C37 C36 P1 119.1(4) . . ?
C37 C36 C41 118.7(5) . . ?
C41 C36 P1 122.2(4) . . ?
C36 C37 H37 119.9 . . ?
C36 C37 C38 120.3(5) . . ?
C38 C37 H37 119.9 . . ?
C37 C38 H38 119.8 . . ?
C39 C38 C37 120.5(6) . . ?
C39 C38 H38 119.8 . . ?
C38 C39 H39 120.2 . . ?
C38 C39 C40 119.7(6) . . ?
C40 C39 H39 120.2 . . ?
C39 C40 H40 120.0 . . ?
C41 C40 C39 120.0(6) . . ?
C41 C40 H40 120.0 . . ?
C36 C41 H41 119.6 . . ?
C40 C41 C36 120.8(6) . . ?
C40 C41 H41 119.6 . . ?
C43 C42 P1 123.5(4) . . ?
C43 C42 C47 119.2(5) . . ?
C47 C42 P1 117.0(4) . . ?
C42 C43 H43 119.8 . . ?
C42 C43 C44 120.4(5) . . ?
C44 C43 H43 119.8 . . ?
C43 C44 H44 119.9 . . ?
C45 C44 C43 120.2(6) . . ?
C45 C44 H44 119.9 . . ?
C44 C45 H45 120.0 . . ?
C46 C45 C44 120.1(6) . . ?
C46 C45 H45 120.0 . . ?
C45 C46 H46 119.7 . . ?
C45 C46 C47 120.6(6) . . ?
C47 C46 H46 119.7 . . ?
C42 C47 H47 120.3 . . ?
C46 C47 C42 119.5(5) . . ?
C46 C47 H47 120.3 . . ?
P1 C48 H48A 109.3 . . ?
P1 C48 H48B 109.3 . . ?
H48A C48 H48B 108.0 . . ?
C49 C48 P1 111.5(3) . . ?
C49 C48 H48A 109.3 . . ?
C49 C48 H48B 109.3 . . ?
C48 C49 H49A 108.9 . . ?
C48 C49 H49B 108.9 . . ?
C48 C49 C50 113.5(5) . . ?
H49A C49 H49B 107.7 . . ?
C50 C49 H49A 108.9 . . ?
C50 C49 H49B 108.9 . . ?
P2 C50 H50A 109.0 . . ?
P2 C50 H50B 109.0 . . ?
C49 C50 P2 113.1(4) . . ?
C49 C50 H50A 109.0 . . ?
C49 C50 H50B 109.0 . . ?
H50A C50 H50B 107.8 . . ?
C52 C51 P2 120.0(5) . . ?
C52 C51 C56 118.4(6) . . ?
C56 C51 P2 121.5(6) . . ?
C51 C52 H52 119.3 . . ?
C51 C52 C53 121.4(7) . . ?
C53 C52 H52 119.3 . . ?
C52 C53 H53 120.4 . . ?
C54 C53 C52 119.1(9) . . ?
C54 C53 H53 120.4 . . ?
C53 C54 H54 119.8 . . ?
C55 C54 C53 120.5(8) . . ?
C55 C54 H54 119.8 . . ?
C54 C55 H55 119.7 . . ?
C54 C55 C56 120.6(8) . . ?
C56 C55 H55 119.7 . . ?
C51 C56 H56 120.0 . . ?
C55 C56 C51 120.0(8) . . ?
C55 C56 H56 120.0 . . ?
C58 C57 P2 121.8(5) . . ?
C62 C57 P2 118.6(5) . . ?
C62 C57 C58 119.5(6) . . ?
C57 C58 H58 119.8 . . ?
C59 C58 C57 120.3(8) . . ?
C59 C58 H58 119.8 . . ?
C58 C59 H59 120.5 . . ?
C58 C59 C60 119.0(8) . . ?
C60 C59 H59 120.5 . . ?
C59 C60 H60 118.9 . . ?
C61 C60 C59 122.3(7) . . ?
C61 C60 H60 118.9 . . ?
C60 C61 H61 120.7 . . ?
C60 C61 C62 118.5(9) . . ?
C62 C61 H61 120.7 . . ?
C57 C62 C61 120.3(8) . . ?
C57 C62 H62 119.8 . . ?
C61 C62 H62 119.8 . . ?
S2 C63 H63 100.2 . . ?
C64 C63 S2 112.5(5) . . ?
C64 C63 H63 100.2 . . ?
C68 C63 S2 119.1(6) . . ?
C68 C63 H63 100.2 . . ?
C68 C63 C64 119.2(7) . . ?
C63 C64 H64A 108.9 . . ?
C63 C64 H64B 108.9 . . ?
C63 C64 C65 113.3(7) . . ?
H64A C64 H64B 107.7 . . ?
C65 C64 H64A 108.9 . . ?
C65 C64 H64B 108.9 . . ?
C64 C65 H65A 108.0 . . ?
C64 C65 H65B 108.0 . . ?
H65A C65 H65B 107.2 . . ?
C66 C65 C64 117.3(8) . . ?
C66 C65 H65A 108.0 . . ?
C66 C65 H65B 108.0 . . ?
C65 C66 H66A 108.4 . . ?
C65 C66 H66B 108.4 . . ?
H66A C66 H66B 107.4 . . ?
C67 C66 C65 115.7(8) . . ?
C67 C66 H66A 108.4 . . ?
C67 C66 H66B 108.4 . . ?
C66 C67 H67A 108.6 . . ?
C66 C67 H67B 108.6 . . ?
C66 C67 C68 114.6(9) . . ?
H67A C67 H67B 107.6 . . ?
C68 C67 H67A 108.6 . . ?
C68 C67 H67B 108.6 . . ?
C63 C68 C67 114.3(8) . . ?
C63 C68 H68A 108.7 . . ?
C63 C68 H68B 108.7 . . ?
C67 C68 H68A 108.7 . . ?
C67 C68 H68B 108.7 . . ?
H68A C68 H68B 107.6 . . ?
O7 C69 C70 114.7(5) . . ?
O8 C69 O7 130.7(4) . . ?
O8 C69 C70 114.5(5) . . ?
F11' C70 C69 113.5(7) . . ?
F11' C70 F12' 104.8(11) . . ?
F10' C70 C69 111.5(7) . . ?
F10' C70 F11' 109.9(11) . . ?
F10' C70 F12' 104.2(12) . . ?
F12' C70 C69 112.3(7) . . ?
F11 C70 C69 114.1(7) . . ?
F11 C70 F10 104.0(13) . . ?
F10 C70 C69 111.3(7) . . ?
F12 C70 C69 111.5(9) . . ?
F12 C70 F11 109.9(15) . . ?
F12 C70 F10 105.3(16) . . ?
O5 C71 C72 116.0(6) . . ?
O6 C71 O5 130.3(5) . . ?
O6 C71 C72 113.7(6) . . ?
F7 C72 F9 104.8(6) . . ?
F7 C72 C71 111.3(6) . . ?
F8 C72 F7 108.8(8) . . ?
F8 C72 F9 106.1(8) . . ?
F8 C72 C71 114.4(6) . . ?
F9 C72 C71 110.9(7) . . ?
O3 C73 O4 130.6(5) . . ?
O3 C73 C74 115.1(5) . . ?
O4 C73 C74 114.3(5) . . ?
F4 C74 F5 105.1(6) . . ?
F4 C74 F6 107.6(7) . . ?
F4 C74 C73 113.6(5) . . ?
F5 C74 C73 112.0(5) . . ?
F6 C74 F5 106.3(6) . . ?
F6 C74 C73 111.8(6) . . ?
Cl1 C0AA H0AA 114.5 . . ?
Cl1 C0AA H0AB 114.5 . . ?
Cl2 C0AA Cl1 84.9(16) . . ?
Cl2 C0AA H0AA 114.5 . . ?
Cl2 C0AA H0AB 114.5 . . ?
H0AA C0AA H0AB 111.6 . . ?

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
Cu1 O1 C1 O2 -5.4(9) . . . . ?
Cu1 O1 C1 C2 174.8(4) . . . . ?
Cu2 S2 C63 C64 63.7(7) . . . . ?
Cu2 S2 C63 C68 -149.7(9) . . . . ?
Cu2 P2 C50 C49 41.0(4) . . . . ?
Cu2 P2 C51 C52 9.4(6) . . . . ?
Cu2 P2 C51 C56 -166.7(5) . . . . ?
Cu2 P2 C57 C58 -121.6(5) . . . . ?
Cu2 P2 C57 C62 54.2(6) . . . . ?
Cu3 S2 C63 C64 -71.7(7) . . . . ?
Cu3 S2 C63 C68 74.9(10) . . . . ?
Cu3 P3 C8 C3 3.8(5) . . . . ?
Cu3 P3 C8 C7 -171.4(4) . . . . ?
Cu3 P3 C9 C10 -66.7(5) . . . . ?
Cu3 P3 C9 C14 112.1(5) . . . . ?
Cu3 P3 C15 C16 57.6(4) . . . . ?
Cu4 S1 C30 C31 -140.5(4) . . . . ?
Cu4 S1 C30 C35 -14.2(5) . . . . ?
Cu4 P1 C36 C37 17.0(5) . . . . ?
Cu4 P1 C36 C41 -161.7(4) . . . . ?
Cu4 P1 C42 C43 -117.2(4) . . . . ?
Cu4 P1 C42 C47 57.0(4) . . . . ?
Cu4 P1 C48 C49 65.9(4) . . . . ?
Cu5 S1 C30 C31 1.7(5) . . . . ?
Cu5 S1 C30 C35 128.1(4) . . . . ?
Cu5 P4 C17 C16 37.9(4) . . . . ?
Cu5 P4 C18 C19 7.5(7) . . . . ?
Cu5 P4 C18 C23 -167.4(5) . . . . ?
Cu5 P4 C24 C25 -102.5(5) . . . . ?
Cu5 P4 C24 C29 77.9(6) . . . . ?
Cu5 O2 C1 O1 8.8(11) . . . . ?
Cu5 O2 C1 C2 -171.5(4) . . . . ?
Cu7 S2 C63 C64 -150.2(5) . . . . ?
Cu7 S2 C63 C68 -3.6(11) . . . . ?
Cu7 O7 C69 O8 -10.8(8) . . . . ?
Cu7 O7 C69 C70 166.5(4) . . . . ?
Cu9 S1 C30 C31 78.5(5) . . . . ?
Cu9 S1 C30 C35 -155.1(4) . . . . ?
Cu9 O3 C73 O4 13.4(8) . . . . ?
Cu9 O3 C73 C74 -165.2(4) . . . . ?
Cu10 S2 C63 C64 137.1(6) 7_556 . . . ?
Cu10 S2 C63 C68 -76.3(10) 7_556 . . . ?
Cu10 O4 C73 O3 -21.5(8) . . . . ?
Cu10 O4 C73 C74 157.1(4) . . . . ?
Cu11 O5 C71 O6 -0.5(9) . . . . ?
Cu11 O5 C71 C72 178.3(4) . . . . ?
Cu12 O6 C71 O5 -3.4(9) . . . . ?
Cu12 O6 C71 C72 177.8(4) . . . . ?
Cu13 S1 C30 C31 149.3(4) 7_556 . . . ?
Cu13 S1 C30 C35 -84.3(4) 7_556 . . . ?
Cu13 O8 C69 O7 2.0(8) . . . . ?
Cu13 O8 C69 C70 -175.4(4) . . . . ?
S1 C30 C31 C32 -179.9(6) . . . . ?
S1 C30 C35 C34 179.4(5) . . . . ?
S2 C63 C64 C65 -178.5(8) . . . . ?
S2 C63 C68 C67 174.1(8) . . . . ?
P1 C36 C37 C38 -179.2(5) . . . . ?
P1 C36 C41 C40 177.1(5) . . . . ?
P1 C42 C43 C44 175.0(5) . . . . ?
P1 C42 C47 C46 -176.3(5) . . . . ?
P1 C48 C49 C50 -161.1(4) . . . . ?
P2 C51 C52 C53 -177.3(7) . . . . ?
P2 C51 C56 C55 177.6(7) . . . . ?
P2 C57 C58 C59 177.0(6) . . . . ?
P2 C57 C62 C61 -176.6(6) . . . . ?
P3 C9 C10 C11 178.7(5) . . . . ?
P3 C9 C14 C13 -178.7(6) . . . . ?
P3 C15 C16 C17 -162.2(4) . . . . ?
P4 C18 C19 C20 -174.8(7) . . . . ?
P4 C18 C23 C22 176.2(7) . . . . ?
P4 C24 C25 C26 179.6(6) . . . . ?
P4 C24 C29 C28 180.0(6) . . . . ?
O1 C1 C2 F1 75.0(8) . . . . ?
O1 C1 C2 F2 -43.5(8) . . . . ?
O1 C1 C2 F3 -161.2(7) . . . . ?
O2 C1 C2 F1 -104.7(7) . . . . ?
O2 C1 C2 F2 136.7(6) . . . . ?
O2 C1 C2 F3 19.0(9) . . . . ?
O3 C73 C74 F4 6.6(9) . . . . ?
O3 C73 C74 F5 -112.3(6) . . . . ?
O3 C73 C74 F6 128.6(6) . . . . ?
O4 C73 C74 F4 -172.3(7) . . . . ?
O4 C73 C74 F5 68.9(8) . . . . ?
O4 C73 C74 F6 -50.3(8) . . . . ?
O5 C71 C72 F7 -64.4(9) . . . . ?
O5 C71 C72 F8 171.7(9) . . . . ?
O5 C71 C72 F9 51.8(8) . . . . ?
O6 C71 C72 F7 114.6(7) . . . . ?
O6 C71 C72 F8 -9.3(11) . . . . ?
O6 C71 C72 F9 -129.2(7) . . . . ?
O7 C69 C70 F11' 155.8(15) . . . . ?
O7 C69 C70 F10' -79.4(17) . . . . ?
O7 C69 C70 F12' 37.1(17) . . . . ?
O7 C69 C70 F11 -147(2) . . . . ?
O7 C69 C70 F10 -30(2) . . . . ?
O7 C69 C70 F12 87(3) . . . . ?
O8 C69 C70 F11' -26.4(16) . . . . ?
O8 C69 C70 F10' 98.4(16) . . . . ?
O8 C69 C70 F12' -145.2(16) . . . . ?
O8 C69 C70 F11 30(2) . . . . ?
O8 C69 C70 F10 147.9(19) . . . . ?
O8 C69 C70 F12 -95(3) . . . . ?
C3 C4 C5 C6 -2.2(12) . . . . ?
C4 C3 C8 P3 -174.1(5) . . . . ?
C4 C3 C8 C7 1.2(9) . . . . ?
C4 C5 C6 C7 1.5(11) . . . . ?
C5 C6 C7 C8 0.6(10) . . . . ?
C6 C7 C8 P3 173.4(5) . . . . ?
C6 C7 C8 C3 -1.9(9) . . . . ?
C8 P3 C9 C10 67.1(5) . . . . ?
C8 P3 C9 C14 -114.1(5) . . . . ?
C8 P3 C15 C16 -66.0(4) . . . . ?
C8 C3 C4 C5 0.8(11) . . . . ?
C9 P3 C8 C3 -131.2(5) . . . . ?
C9 P3 C8 C7 53.6(5) . . . . ?
C9 P3 C15 C16 -175.0(3) . . . . ?
C9 C10 C11 C12 0.2(11) . . . . ?
C10 C9 C14 C13 0.1(10) . . . . ?
C10 C11 C12 C13 -0.1(12) . . . . ?
C11 C12 C13 C14 0.1(12) . . . . ?
C12 C13 C14 C9 -0.1(12) . . . . ?
C14 C9 C10 C11 -0.2(10) . . . . ?
C15 P3 C8 C3 121.4(5) . . . . ?
C15 P3 C8 C7 -53.8(5) . . . . ?
C15 P3 C9 C10 173.2(5) . . . . ?
C15 P3 C9 C14 -8.0(6) . . . . ?
C15 C16 C17 P4 48.4(5) . . . . ?
C17 P4 C18 C19 130.3(7) . . . . ?
C17 P4 C18 C23 -44.6(6) . . . . ?
C17 P4 C24 C25 132.6(6) . . . . ?
C17 P4 C24 C29 -46.9(6) . . . . ?
C18 P4 C17 C16 -88.2(4) . . . . ?
C18 P4 C24 C25 29.0(6) . . . . ?
C18 P4 C24 C29 -150.6(5) . . . . ?
C18 C19 C20 C21 -0.9(15) . . . . ?
C19 C18 C23 C22 1.0(12) . . . . ?
C19 C20 C21 C22 0.1(16) . . . . ?
C20 C21 C22 C23 1.1(16) . . . . ?
C21 C22 C23 C18 -1.7(14) . . . . ?
C23 C18 C19 C20 0.4(12) . . . . ?
C24 P4 C17 C16 167.5(4) . . . . ?
C24 P4 C18 C19 -125.4(7) . . . . ?
C24 P4 C18 C23 59.7(6) . . . . ?
C24 C25 C26 C27 0.1(14) . . . . ?
C25 C24 C29 C28 0.4(11) . . . . ?
C25 C26 C27 C28 1.0(16) . . . . ?
C26 C27 C28 C29 -1.4(15) . . . . ?
C27 C28 C29 C24 0.7(13) . . . . ?
C29 C24 C25 C26 -0.8(11) . . . . ?
C30 C31 C32 C33 -55.2(10) . . . . ?
C31 C30 C35 C34 -55.6(8) . . . . ?
C31 C32 C33 C34 57.6(11) . . . . ?
C32 C33 C34 C35 -58.5(10) . . . . ?
C33 C34 C35 C30 57.1(9) . . . . ?
C35 C30 C31 C32 54.7(9) . . . . ?
C36 P1 C42 C43 15.4(5) . . . . ?
C36 P1 C42 C47 -170.4(4) . . . . ?
C36 P1 C48 C49 -61.8(4) . . . . ?
C36 C37 C38 C39 2.9(11) . . . . ?
C37 C36 C41 C40 -1.6(9) . . . . ?
C37 C38 C39 C40 -3.2(11) . . . . ?
C38 C39 C40 C41 1.1(11) . . . . ?
C39 C40 C41 C36 1.3(10) . . . . ?
C41 C36 C37 C38 -0.5(9) . . . . ?
C42 P1 C36 C37 -113.3(4) . . . . ?
C42 P1 C36 C41 68.0(5) . . . . ?
C42 P1 C48 C49 -171.7(4) . . . . ?
C42 C43 C44 C45 0.9(10) . . . . ?
C43 C42 C47 C46 -1.8(9) . . . . ?
C43 C44 C45 C46 -1.9(11) . . . . ?
C44 C45 C46 C47 1.0(11) . . . . ?
C45 C46 C47 C42 0.8(10) . . . . ?
C47 C42 C43 C44 0.9(8) . . . . ?
C48 P1 C36 C37 138.5(4) . . . . ?
C48 P1 C36 C41 -40.2(5) . . . . ?
C48 P1 C42 C43 124.1(5) . . . . ?
C48 P1 C42 C47 -61.7(5) . . . . ?
C48 C49 C50 P2 60.4(5) . . . . ?
C50 P2 C51 C52 134.2(5) . . . . ?
C50 P2 C51 C56 -41.9(6) . . . . ?
C50 P2 C57 C58 117.6(5) . . . . ?
C50 P2 C57 C62 -66.6(6) . . . . ?
C51 P2 C50 C49 -87.8(4) . . . . ?
C51 P2 C57 C58 7.9(6) . . . . ?
C51 P2 C57 C62 -176.3(6) . . . . ?
C51 C52 C53 C54 -0.6(15) . . . . ?
C52 C51 C56 C55 1.5(11) . . . . ?
C52 C53 C54 C55 1.9(18) . . . . ?
C53 C54 C55 C56 -1.5(19) . . . . ?
C54 C55 C56 C51 -0.3(15) . . . . ?
C56 C51 C52 C53 -1.1(11) . . . . ?
C57 P2 C50 C49 163.6(4) . . . . ?
C57 P2 C51 C52 -117.5(5) . . . . ?
C57 P2 C51 C56 66.4(6) . . . . ?
C57 C58 C59 C60 -2.4(12) . . . . ?
C58 C57 C62 C61 -0.7(11) . . . . ?
C58 C59 C60 C61 3.1(14) . . . . ?
C59 C60 C61 C62 -2.5(13) . . . . ?
C60 C61 C62 C57 1.3(12) . . . . ?
C62 C57 C58 C59 1.2(11) . . . . ?
C63 C64 C65 C66 -32.3(17) . . . . ?
C64 C63 C68 C67 -41.5(15) . . . . ?
C64 C65 C66 C67 39(2) . . . . ?
C65 C66 C67 C68 -44.2(19) . . . . ?
C66 C67 C68 C63 45.5(16) . . . . ?
C68 C63 C64 C65 34.9(14) . . . . ?

_olex2_submission_original_sample_id Cu28
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.805
_oxdiff_exptl_absorpt_empirical_full_min 0.517
####################################################################### 
# 
# 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_5
_database_code_depnum_ccdc_archive 'CCDC 2102459'
loop_
_audit_author_name
_audit_author_address
'Di Sun'
;Shandong university
China
;
_audit_update_record             
;
2021-08-10 deposited with the CCDC.	2021-11-02 downloaded from the CCDC.
;
_audit_creation_date             2020-09-28
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C156 H182 Cl2 Cu28 O12 P8 S4'
_chemical_formula_sum            'C156 H182 Cl2 Cu28 O12 P8 S4'
_chemical_formula_weight         4475.02
_chemical_melting_point          ?
_chemical_oxdiff_formula         CuCSPF
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'
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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      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                   17.5118(6)
_cell_length_b                   17.6946(7)
_cell_length_c                   18.7236(7)
_cell_angle_alpha                97.227(3)
_cell_angle_beta                 104.392(3)
_cell_angle_gamma                115.803(4)
_cell_volume                     4873.9(4)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    12325
_cell_measurement_temperature    173.00(10)
_cell_measurement_theta_max      75.3290
_cell_measurement_theta_min      2.9330
_shelx_estimated_absorpt_T_max   0.869
_shelx_estimated_absorpt_T_min   0.761
_exptl_absorpt_coefficient_mu    4.808
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.81582
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.68a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dull light red'
_exptl_crystal_colour_lustre     dull
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2244
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_av_unetI/netI     0.0483
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            51074
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        67.080
_diffrn_reflns_theta_max         67.080
_diffrn_reflns_theta_min         2.879
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      173.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     50.00 103.00   1.00    0.10    --   48.45-137.00 104.00   53
  2  ω     41.00  82.00   1.00    0.10    --   48.45-132.00 -78.00   41
  3  ω    -27.00  27.00   1.00    0.10    --  -48.45  19.00  90.00   54
  4  ω    -88.00 -53.00   1.00    0.10    --  -48.45 132.00  -9.00   35
  5  ω    -70.00 -44.00   1.00    0.10    --  -48.45 137.00 167.00   26
  6  ω   -109.00 -66.00   1.00    0.10    --  -48.45-137.00 104.00   43
  7  ω   -120.00 -69.00   1.00    0.10    --  -48.45-132.00 -78.00   51
  8  ω   -117.00 -26.00   1.00    0.10    --  -48.45 -77.00 -60.00   91
  9  ω    -77.00 -52.00   1.00    0.45    --  -86.25 132.00  -9.00   25
 10  ω    -81.00 -56.00   1.00    0.45    --  -86.25 137.00 167.00   25
 11  ω   -159.00 -73.00   1.00    0.45    --  -86.25 -38.00 -30.00   86
 12  ω   -136.00-111.00   1.00    0.45    --  -86.25-137.00 104.00   25
 13  ω    -97.00 -71.00   1.00    0.45    --  -86.25-132.00 -78.00   26
 14  ω     93.00 178.00   1.00    0.45    --  106.49  38.00  90.00   85
 15  ω    101.00 178.00   1.00    0.45    --  106.49  19.00  30.00   77
 16  ω     95.00 133.00   1.00    0.45    --  106.49  19.00   0.00   38
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_specimen_support 'Mitegen 50um'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0385150000
_diffrn_orient_matrix_UB_12      -0.0285544000
_diffrn_orient_matrix_UB_13      0.0634255000
_diffrn_orient_matrix_UB_21      -0.0913182000
_diffrn_orient_matrix_UB_22      -0.0667968000
_diffrn_orient_matrix_UB_23      -0.0612085000
_diffrn_orient_matrix_UB_31      0.0309516000
_diffrn_orient_matrix_UB_32      -0.0692974000
_diffrn_orient_matrix_UB_33      -0.0015354000
_diffrn_radiation_collimation    0.3
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_current           24.0
_diffrn_source_power             1.2
_diffrn_source_target            Mo
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14049
_reflns_number_total             17177
_reflns_odcompleteness_completeness 72.11
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         2.016
_refine_diff_density_min         -0.905
_refine_diff_density_rms         0.100
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1303
_refine_ls_number_reflns         17177
_refine_ls_number_restraints     579
_refine_ls_R_factor_all          0.0550
_refine_ls_R_factor_gt           0.0457
_refine_ls_restrained_S_all      1.075
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0744P)²+4.3419P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1299
_refine_ls_wR_factor_ref         0.1371
_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
 C17-C20 = C17-C18 = C17-C19 = C17-C20A = C17-C19A = C17-C18A = C17-C14
 1.55 with sigma of 0.01
 C10A-C9A
 2.35 with sigma of 0.01
 C10A-C7
 1.55 with sigma of 0.01
 C9-C7
 1.55 with sigma of 0.01
 C22A-C21A
 1.39 with sigma of 0.01
 C23A-C23
 1.39 with sigma of 0.01
 C22-C24A
 1.39 with sigma of 0.01
 C25A-C23
 1.39 with sigma of 0.01
 C26-C25
 1.39 with sigma of 0.01
 C24-C24A
 1.39 with sigma of 0.01
 C21-C22
 1.39 with sigma of 0.01
 C25-C24
 1.39 with sigma of 0.01
 C43A-C44A
 1.39 with sigma of 0.01
 C37-C36
 1.39 with sigma of 0.01
 C38-C37
 1.39 with sigma of 0.01
 C40-C39
 1.39 with sigma of 0.01
 C39-C38
 1.39 with sigma of 0.01
 C36-C35
 1.39 with sigma of 0.01
 C40-C35
 1.39 with sigma of 0.01
 C42A-C41A
 1.39 with sigma of 0.01
 C44-C43
 1.39 with sigma of 0.01
 C43A-C42A
 1.39 with sigma of 0.01
 C46-C41
 1.39 with sigma of 0.01
 C43-C42
 1.39 with sigma of 0.01
 C46-C45
 1.39 with sigma of 0.01
 C46A-C41A
 1.39 with sigma of 0.01
 C42-C41
 1.39 with sigma of 0.01
 C45-C44
 1.39 with sigma of 0.01
 C16-C11
 1.39 with sigma of 0.01
 C44A-C43A
 1.39 with sigma of 0.01
 C12A-C11
 1.39 with sigma of 0.01
 C46A-C45A
 1.39 with sigma of 0.01
 C45A-C44A
 1.39 with sigma of 0.01
 C27A-C28A
 1.39 with sigma of 0.01
 C29A-C28A
 1.39 with sigma of 0.01
 C31-C30
 1.39 with sigma of 0.01
 C30A-C29A
 1.39 with sigma of 0.01
 C32-C27
 1.39 with sigma of 0.01
 C32-C31
 1.39 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C11 \\sim C12A \\sim C13A \\sim C14 \\sim C15A \\sim C16A: within 2A with sigma
of 0.004 and sigma for terminal atoms of 0.008 within 2A
C21A \\sim C22A \\sim C23 \\sim C23A \\sim C25A \\sim C26A: within 2A with
sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
C21 \\sim C22 \\sim C24 \\sim C24A \\sim C25 \\sim C26: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008 within 2A
C27A \\sim C28A \\sim C29A \\sim C30A \\sim C31A \\sim C32A: within 2A with
sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
C41A \\sim C42A \\sim C43A \\sim C44A \\sim C45A \\sim C46A: within 2A with
sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
C33 \\sim C34: within 2A with sigma of 0.004 and sigma for terminal atoms of
0.008 within 2A
C41 \\sim C42 \\sim C43 \\sim C44 \\sim C45 \\sim C46: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008 within 2A
C33A \\sim C34A: within 2A with sigma of 0.004 and sigma for terminal atoms of
0.008 within 2A
P1 \\sim C27 \\sim C28 \\sim C29 \\sim C30 \\sim C31 \\sim C32: within 2A with
sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
C35 \\sim C36 \\sim C36A \\sim C37 \\sim C37A \\sim C38 \\sim C38A \\sim C39
\\sim C39A \\sim C40 \\sim C40A: within 2A with sigma of 0.004 and sigma for
terminal atoms of 0.008 within 2A
C7 \\sim C8 \\sim C8A \\sim C9 \\sim C9A \\sim C10 \\sim C10A: within 2A with
sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
C17 \\sim C18 \\sim C18A \\sim C19 \\sim C19A \\sim C20 \\sim C20A: within 2A
with sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
4. Others
 Fixed Sof: P1(0.4) P1A(0.6) C8(0.7) H8A(0.7) H8B(0.7) H8C(0.7) C8A(0.3)
 H8AA(0.3) H8AB(0.3) H8AC(0.3) C9(0.7) H9A(0.7) H9B(0.7) H9C(0.7) C9A(0.3)
 H9AA(0.3) H9AB(0.3) H9AC(0.3) C10(0.7) H10A(0.7) H10B(0.7) H10C(0.7) C10A(0.3)
 H10D(0.3) H10E(0.3) H10F(0.3) C12(0.75) H12(0.75) C12A(0.25) H12A(0.25)
 C13(0.75) H13(0.75) C13A(0.25) H13A(0.25) C15(0.75) H15(0.75) C15A(0.25)
 H15A(0.25) C16(0.75) H16(0.75) C16A(0.25) H16A(0.25) C18(0.6) H18A(0.6)
 H18B(0.6) H18C(0.6) C18A(0.4) H18D(0.4) H18E(0.4) H18F(0.4) C19(0.6) H19A(0.6)
 H19B(0.6) H19C(0.6) C19A(0.4) H19D(0.4) H19E(0.4) H19F(0.4) C20(0.6) H20A(0.6)
 H20B(0.6) H20C(0.6) C20A(0.4) H20D(0.4) H20E(0.4) H20F(0.4) C21(0.4) C21A(0.6)
 C22(0.4) H22(0.4) C22A(0.6) H22A(0.6) C23(0.6) H23(0.6) C23A(0.6) H23A(0.6)
 C24(0.4) H24(0.4) C24A(0.4) H24A(0.4) C25(0.4) H25(0.4) C25A(0.6) H25A(0.6)
 C26(0.4) H26(0.4) C26A(0.6) H26A(0.6) C27(0.4) C27A(0.6) C28(0.4) H28(0.4)
 C28A(0.6) H28A(0.6) C29(0.4) H29(0.4) C29A(0.6) H29A(0.6) C30(0.4) H30(0.4)
 C30A(0.6) H30A(0.6) C31(0.4) H31(0.4) C31A(0.6) H31A(0.6) C32(0.4) H32(0.4)
 C32A(0.6) H32A(0.6) C33(0.4) H33A(0.4) H33B(0.4) C33A(0.6) H33C(0.6) H33D(0.6)
 C34(0.4) H34A(0.4) H34B(0.4) C34A(0.6) H34C(0.6) H34D(0.6) C40A(0.6) H40A(0.6)
 C39A(0.6) H39A(0.6) C38A(0.6) H38A(0.6) C37A(0.6) H37A(0.6) C36A(0.6)
 H36A(0.6) C36(0.4) H36(0.4) C37(0.4) H37(0.4) C38(0.4) H38(0.4) C39(0.4)
 H39(0.4) C40(0.4) H40(0.4) C41(0.4) C41A(0.6) C42(0.4) H42(0.4) C42A(0.6)
 H42A(0.6) C43(0.4) H43(0.4) C43A(0.6) H43A(0.6) C44(0.4) H44(0.4) C44A(0.6)
 H44A(0.6) C45(0.4) H45(0.4) C45A(0.6) H45A(0.6) C46(0.4) H46(0.4) C46A(0.6)
 H46A(0.6)
5.a Secondary CH2 refined with riding coordinates:
 C33(H33A,H33B), C33A(H33C,H33D), C34(H34A,H34B), C34A(H34C,H34D), C59(H59A,
 H59B), C60(H60A,H60B)
5.b Me refined with riding coordinates:
 C8A(H8AA,H8AB,H8AC), C9A(H9AA,H9AB,H9AC)
5.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C12(H12), C12A(H12A), C13(H13), C13A(H13A),
 C15(H15), C15A(H15A), C16(H16), C16A(H16A), C22(H22), C22A(H22A), C23(H23),
 C23A(H23A), C24(H24), C24A(H24A), C25(H25), C25A(H25A), C26(H26), C26A(H26A),
 C28(H28), C28A(H28A), C29(H29), C29A(H29A), C30(H30), C30A(H30A), C31(H31),
 C31A(H31A), C32(H32), C32A(H32A), C40A(H40A), C39A(H39A), C38A(H38A),
 C37A(H37A), C36A(H36A), C36(H36), C37(H37), C38(H38), C39(H39), C40(H40),
 C42(H42), C42A(H42A), C43(H43), C43A(H43A), C44(H44), C44A(H44A), C45(H45),
 C45A(H45A), C46(H46), C46A(H46A), C47(H47), C48(H48), C49(H49), C50(H50),
 C51(H51), C53(H53), C54(H54), C55(H55), C56(H56), C57(H57), C62(H62), C63(H63),
  C64(H64), C65(H65), C66(H66), C68(H68), C69(H69), C70(H70), C71(H71), C72(H72)
5.d Fitted hexagon refined as free rotating group:
 C35(C40A,C39A,C38A,C37A,C36A)
5.e Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C10A(H10D,H10E,H10F),
 C18(H18A,H18B,H18C), C18A(H18D,H18E,H18F), C19(H19A,H19B,H19C), C19A(H19D,H19E,
 H19F), C20(H20A,H20B,H20C), C20A(H20D,H20E,H20F), C74(H74A,H74B,H74C),
 C76(H76A,H76B,H76C), C78(H78A,H78B,H78C)
;
_atom_sites_solution_hydrogens   mixed
_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
Cu1 Cu 0.47284(4) 0.54964(4) 0.48539(3) 0.03396(13) Uani 1 1 d . . . . .
HH H 0.500(4) 0.490(4) 0.433(3) 0.075(18) Uiso 1 1 d . . . . .
HA H 0.430(4) 0.621(4) 0.466(4) 0.080(19) Uiso 1 1 d . . . . .
Cu2 Cu 0.40635(4) 0.40176(4) 0.37001(3) 0.03469(13) Uani 1 1 d . . . . .
HB H 0.335(6) 0.434(5) 0.344(5) 0.11(3) Uiso 1 1 d . . . . .
HC H 0.383(3) 0.297(3) 0.392(3) 0.050(13) Uiso 1 1 d . . . . .
HD H 0.406(4) 0.382(4) 0.282(3) 0.068(16) Uiso 1 1 d . . . . .
Cu3 Cu 0.34862(4) 0.56953(4) 0.51132(3) 0.03836(14) Uani 1 1 d . . . . .
HE H 0.311(6) 0.459(5) 0.525(5) 0.11(3) Uiso 1 1 d . . . . .
Cu4 Cu 0.35841(4) 0.54412(4) 0.36934(3) 0.03616(14) Uani 1 1 d . . . . .
Cu5 Cu 0.29108(4) 0.41774(4) 0.42735(3) 0.03613(14) Uani 1 1 d . . . . .
Cu6 Cu 0.60574(4) 0.55585(4) 0.43215(3) 0.03690(14) Uani 1 1 d . . . . .
HF H 0.603(5) 0.531(4) 0.339(4) 0.083(19) Uiso 1 1 d . . . . .
HG H 0.379(5) 0.333(5) 0.557(5) 0.11(3) Uiso 1 1 d . . . . .
Cu7 Cu 0.48046(4) 0.30113(4) 0.43548(3) 0.03929(14) Uani 1 1 d . . . . .
Cu8 Cu 0.34798(4) 0.44085(4) 0.24967(3) 0.03899(14) Uani 1 1 d . . . . .
Cu9 Cu 0.47404(4) 0.32845(4) 0.57787(3) 0.03895(14) Uani 1 1 d . . . . .
Cu10 Cu 0.34542(4) 0.30595(4) 0.46124(3) 0.03845(14) Uani 1 1 d . . . . .
Cu11 Cu 0.51246(4) 0.45723(4) 0.27840(3) 0.04521(16) Uani 1 1 d . . . . .
Cu12 Cu 0.59668(4) 0.63067(4) 0.32692(4) 0.04472(16) Uani 1 1 d . . . . .
Cu13 Cu 0.43602(4) 0.29641(4) 0.28967(4) 0.04540(16) Uani 1 1 d . . . . .
Cu14 Cu 0.67122(5) 0.47972(5) 0.36428(4) 0.05545(19) Uani 1 1 d . . . . .
Cl1 Cl 0.52193(10) 0.42316(11) 0.16308(7) 0.0734(4) Uani 1 1 d . . . . .
S1 S 0.44554(7) 0.58987(6) 0.29012(5) 0.0359(2) Uani 1 1 d . . . . .
S2 S 0.57970(7) 0.33934(7) 0.36322(5) 0.0390(2) Uani 1 1 d . . . . .
P1 P 0.7111(3) 0.7367(3) 0.2993(2) 0.0439(8) Uani 0.4 1 d . U P A 1
P1A P 0.69498(17) 0.69870(17) 0.27355(14) 0.0386(5) Uani 0.6 1 d . . P A -1
P2 P 0.79351(9) 0.54155(8) 0.33502(10) 0.0626(4) Uani 1 1 d . . . . .
P3 P 0.32385(8) 0.17590(7) 0.20453(6) 0.0410(2) Uani 1 1 d . . . . .
P4 P 0.24242(8) 0.35385(7) 0.13761(6) 0.0415(2) Uani 1 1 d . . . . .
O O 0.1667(2) 0.3179(2) 0.3869(2) 0.0601(9) Uani 1 1 d . . . . .
O1AA O 0.4540(3) 0.1824(2) 0.4447(2) 0.0561(8) Uani 1 1 d . . . . .
O2AA O 0.4407(3) 0.2030(2) 0.56024(19) 0.0658(10) Uani 1 1 d . . . . .
O3AA O 0.2140(2) 0.2260(2) 0.4262(2) 0.0604(9) Uani 1 1 d . . . . .
O5AA O 0.2462(2) 0.5538(3) 0.33971(18) 0.0599(9) Uani 1 1 d . . . . .
O6 O 0.2376(3) 0.5714(4) 0.4577(2) 0.0838(14) Uani 1 1 d . . . . .
C1 C 0.6185(3) 0.2628(3) 0.3450(2) 0.0450(10) Uani 1 1 d . . . . .
C2 C 0.7081(4) 0.2919(4) 0.3566(4) 0.0621(13) Uani 1 1 d . . . . .
H2 H 0.750264 0.352015 0.379021 0.075 Uiso 1 1 calc R U . . .
C3 C 0.7375(5) 0.2346(5) 0.3360(4) 0.0761(18) Uani 1 1 d . . . . .
H3 H 0.799765 0.255890 0.343675 0.091 Uiso 1 1 calc R U . . .
C4 C 0.6777(5) 0.1461(5) 0.3043(3) 0.0688(16) Uani 1 1 d . . . . .
C5 C 0.5881(5) 0.1177(4) 0.2976(4) 0.080(2) Uani 1 1 d . . . . .
H5 H 0.546187 0.057137 0.278442 0.096 Uiso 1 1 calc R U . . .
C6 C 0.5580(4) 0.1754(4) 0.3182(3) 0.0643(15) Uani 1 1 d . . . . .
H6 H 0.496597 0.154534 0.313779 0.077 Uiso 1 1 calc R U . . .
C7 C 0.7064(6) 0.0800(6) 0.2758(5) 0.110(2) Uani 1 1 d D U . . .
C8 C 0.6817(13) 0.0634(12) 0.1893(9) 0.120(4) Uani 0.7 1 d . U P B 1
H8A H 0.615976 0.035171 0.165517 0.181 Uiso 0.7 1 calc R U P B 1
H8B H 0.703652 0.025441 0.170260 0.181 Uiso 0.7 1 calc R U P B 1
H8C H 0.709426 0.118949 0.176562 0.181 Uiso 0.7 1 calc R U P B 1
C8A C 0.646(3) 0.025(3) 0.199(2) 0.125(4) Uani 0.3 1 d . U P B 2
H8AA H 0.648428 0.061111 0.163087 0.187 Uiso 0.3 1 calc R U P B 2
H8AB H 0.665633 -0.016878 0.182507 0.187 Uiso 0.3 1 calc R U P B 2
H8AC H 0.584441 -0.007146 0.198852 0.187 Uiso 0.3 1 calc R U P B 2
C9 C 0.6548(10) -0.0086(8) 0.2931(9) 0.128(3) Uani 0.7 1 d D U P B 1
H9A H 0.656654 0.001772 0.346278 0.192 Uiso 0.7 1 calc R U P B 1
H9B H 0.683333 -0.044422 0.285109 0.192 Uiso 0.7 1 calc R U P B 1
H9C H 0.591979 -0.039144 0.258679 0.192 Uiso 0.7 1 calc R U P B 1
C9A C 0.706(2) 0.0276(17) 0.3329(19) 0.117(4) Uani 0.3 1 d D U P B 2
H9AA H 0.746803 0.066735 0.383719 0.175 Uiso 0.3 1 calc R U P B 2
H9AB H 0.644638 -0.004181 0.334391 0.175 Uiso 0.3 1 calc R U P B 2
H9AC H 0.725830 -0.013912 0.318045 0.175 Uiso 0.3 1 calc R U P B 2
C10 C 0.8048(11) 0.1090(11) 0.3103(9) 0.120(3) Uani 0.7 1 d . U P B 1
H10A H 0.839916 0.160655 0.295028 0.180 Uiso 0.7 1 calc R U P B 1
H10B H 0.816589 0.062037 0.292289 0.180 Uiso 0.7 1 calc R U P B 1
H10C H 0.822225 0.123230 0.366236 0.180 Uiso 0.7 1 calc R U P B 1
C10A C 0.8090(10) 0.1347(17) 0.291(2) 0.110(4) Uani 0.3 1 d D U P B 2
H10D H 0.833158 0.095778 0.279791 0.165 Uiso 0.3 1 calc R U P B 2
H10E H 0.839733 0.168419 0.344962 0.165 Uiso 0.3 1 calc R U P B 2
H10F H 0.818984 0.174601 0.258335 0.165 Uiso 0.3 1 calc R U P B 2
C11 C 0.4167(3) 0.6535(3) 0.2333(2) 0.0389(8) Uani 1 1 d D U . . .
C12 C 0.3878(5) 0.6269(4) 0.1550(3) 0.0483(14) Uani 0.75 1 d . . P C 1
H12 H 0.381829 0.573179 0.130802 0.058 Uiso 0.75 1 calc R U P C 1
C12A C 0.3325(9) 0.6169(12) 0.1780(10) 0.054(2) Uani 0.25 1 d D U P C 2
H12A H 0.286821 0.559730 0.172522 0.064 Uiso 0.25 1 calc R U P C 2
C13 C 0.3674(5) 0.6766(4) 0.1108(3) 0.0519(16) Uani 0.75 1 d . . P C 1
H13 H 0.350884 0.658348 0.056752 0.062 Uiso 0.75 1 calc R U P C 1
C13A C 0.3172(16) 0.6676(13) 0.1302(12) 0.057(2) Uani 0.25 1 d . U P C 2
H13A H 0.265482 0.639322 0.085090 0.068 Uiso 0.25 1 calc R U P C 2
C14 C 0.3708(3) 0.7529(3) 0.1443(2) 0.0458(9) Uani 1 1 d D U . . .
C15 C 0.3986(6) 0.7797(5) 0.2220(4) 0.063(2) Uani 0.75 1 d . . P C 1
H15 H 0.401361 0.831841 0.245945 0.076 Uiso 0.75 1 calc R U P C 1
C15A C 0.4517(15) 0.7839(13) 0.1983(11) 0.053(2) Uani 0.25 1 d . U P C 2
H15A H 0.494902 0.843358 0.208212 0.064 Uiso 0.25 1 calc R U P C 2
C16 C 0.4233(6) 0.7312(4) 0.2668(3) 0.062(2) Uani 0.75 1 d D . P C 1
H16 H 0.444859 0.751945 0.321012 0.075 Uiso 0.75 1 calc R U P C 1
C16A C 0.4759(15) 0.7321(13) 0.2417(11) 0.053(2) Uani 0.25 1 d . U P C 2
H16A H 0.535534 0.755618 0.276418 0.063 Uiso 0.25 1 calc R U P C 2
C17 C 0.3440(4) 0.8059(4) 0.0941(3) 0.0726(14) Uani 1 1 d D U . . .
C18 C 0.3415(10) 0.8829(8) 0.1384(7) 0.079(3) Uani 0.6 1 d D U P D 1
H18A H 0.395397 0.914743 0.184318 0.118 Uiso 0.6 1 calc R U P D 1
H18B H 0.287527 0.861403 0.153341 0.118 Uiso 0.6 1 calc R U P D 1
H18C H 0.339803 0.921859 0.105923 0.118 Uiso 0.6 1 calc R U P D 1
C18A C 0.3863(13) 0.8997(8) 0.1460(10) 0.077(3) Uani 0.4 1 d D U P D 2
H18D H 0.451388 0.930229 0.155888 0.116 Uiso 0.4 1 calc R U P D 2
H18E H 0.375087 0.896835 0.194584 0.116 Uiso 0.4 1 calc R U P D 2
H18F H 0.358942 0.931342 0.120199 0.116 Uiso 0.4 1 calc R U P D 2
C19 C 0.2412(7) 0.7575(10) 0.0522(9) 0.096(4) Uani 0.6 1 d D U P D 1
H19A H 0.226325 0.785002 0.012652 0.143 Uiso 0.6 1 calc R U P D 1
H19B H 0.210652 0.760150 0.089013 0.143 Uiso 0.6 1 calc R U P D 1
H19C H 0.221400 0.696458 0.028439 0.143 Uiso 0.6 1 calc R U P D 1
C19A C 0.2517(10) 0.7399(13) 0.0310(11) 0.088(4) Uani 0.4 1 d D U P D 2
H19D H 0.230341 0.771242 -0.001095 0.133 Uiso 0.4 1 calc R U P D 2
H19E H 0.207532 0.710060 0.055171 0.133 Uiso 0.4 1 calc R U P D 2
H19F H 0.259170 0.696953 -0.000774 0.133 Uiso 0.4 1 calc R U P D 2
C20 C 0.3859(10) 0.8191(12) 0.0314(6) 0.081(3) Uani 0.6 1 d D U P D 1
H20A H 0.369687 0.856402 0.003698 0.121 Uiso 0.6 1 calc R U P D 1
H20B H 0.363254 0.762517 -0.004272 0.121 Uiso 0.6 1 calc R U P D 1
H20C H 0.451628 0.846893 0.054370 0.121 Uiso 0.6 1 calc R U P D 1
C20A C 0.4152(11) 0.8373(17) 0.0543(10) 0.076(3) Uani 0.4 1 d D U P D 2
H20D H 0.416579 0.786956 0.027330 0.114 Uiso 0.4 1 calc R U P D 2
H20E H 0.474615 0.877200 0.092808 0.114 Uiso 0.4 1 calc R U P D 2
H20F H 0.399576 0.867511 0.017633 0.114 Uiso 0.4 1 calc R U P D 2
C21 C 0.7723(12) 0.8462(15) 0.3577(13) 0.082(3) Uani 0.4 1 d D U P A 1
C21A C 0.7797(5) 0.8061(6) 0.3311(6) 0.0539(15) Uani 0.6 1 d D U P A -1
C22 C 0.8627(12) 0.9028(9) 0.3714(10) 0.088(3) Uani 0.4 1 d D U P A 1
H22 H 0.894091 0.891589 0.340486 0.105 Uiso 0.4 1 calc R U P A 1
C22A C 0.8623(6) 0.8491(6) 0.3200(6) 0.0698(18) Uani 0.6 1 d D U P A -1
H22A H 0.875175 0.821341 0.281443 0.084 Uiso 0.6 1 calc R U P A -1
C23 C 0.9044(9) 0.9769(10) 0.4184(9) 0.085(3) Uani 0.6 1 d D U P A -1
H23 H 0.942896 1.037215 0.443073 0.103 Uiso 0.6 1 calc R U P A -1
C23A C 0.9272(8) 0.9350(7) 0.3666(7) 0.082(2) Uani 0.6 1 d D U P A -1
H23A H 0.985382 0.963183 0.362222 0.099 Uiso 0.6 1 calc R U P A -1
C24 C 0.8640(11) 1.0112(10) 0.4706(11) 0.094(3) Uani 0.4 1 d D U P A 1
H24 H 0.893679 1.069502 0.501533 0.113 Uiso 0.4 1 calc R U P A 1
C24A C 0.9050(17) 0.9767(15) 0.4327(13) 0.094(3) Uani 0.4 1 d D U P A 1
H24A H 0.969063 1.006887 0.450591 0.113 Uiso 0.4 1 calc R U P A 1
C25 C 0.7754(11) 0.9519(8) 0.4587(9) 0.089(3) Uani 0.4 1 d D U P A 1
H25 H 0.743046 0.965637 0.487254 0.106 Uiso 0.4 1 calc R U P A 1
C25A C 0.8256(7) 0.9317(6) 0.4351(7) 0.077(2) Uani 0.6 1 d D U P A -1
H25A H 0.813581 0.956435 0.476105 0.093 Uiso 0.6 1 calc R U P A -1
C26 C 0.7339(14) 0.8721(9) 0.4045(9) 0.082(3) Uani 0.4 1 d D U P A 1
H26 H 0.673871 0.831896 0.399370 0.098 Uiso 0.4 1 calc R U P A 1
C26A C 0.7648(8) 0.8463(7) 0.3865(6) 0.0601(19) Uani 0.6 1 d . U P A -1
H26A H 0.708967 0.815515 0.394316 0.072 Uiso 0.6 1 calc R U P A -1
C27 C 0.6793(11) 0.7436(9) 0.1993(9) 0.051(2) Uani 0.4 1 d D U P A 1
C27A C 0.6504(8) 0.7125(7) 0.1802(6) 0.057(2) Uani 0.6 1 d D U P A -1
C28 C 0.6051(15) 0.6787(13) 0.1491(11) 0.064(3) Uani 0.4 1 d . U P A 1
H28 H 0.569619 0.630454 0.165296 0.076 Uiso 0.4 1 calc R U P A 1
C28A C 0.5761(8) 0.6397(8) 0.1271(5) 0.074(2) Uani 0.6 1 d D U P A -1
H28A H 0.549617 0.587196 0.141645 0.088 Uiso 0.6 1 calc R U P A -1
C29 C 0.5754(14) 0.6784(12) 0.0694(10) 0.074(3) Uani 0.4 1 d . U P A 1
H29 H 0.525864 0.628038 0.032243 0.089 Uiso 0.4 1 calc R U P A 1
C29A C 0.5396(9) 0.6418(7) 0.0535(6) 0.084(2) Uani 0.6 1 d D U P A -1
H29A H 0.489629 0.590869 0.017293 0.100 Uiso 0.6 1 calc R U P A -1
C30 C 0.6207(12) 0.7526(12) 0.0495(10) 0.072(3) Uani 0.4 1 d D U P A 1
H30 H 0.598733 0.758027 -0.000270 0.087 Uiso 0.4 1 calc R U P A 1
C30A C 0.5765(9) 0.7188(7) 0.0329(6) 0.075(2) Uani 0.6 1 d D U P A -1
H30A H 0.550487 0.721108 -0.017196 0.090 Uiso 0.6 1 calc R U P A -1
C31 C 0.7000(13) 0.8203(11) 0.1037(8) 0.074(3) Uani 0.4 1 d D U P A 1
H31 H 0.735767 0.868735 0.088006 0.089 Uiso 0.4 1 calc R U P A 1
C31A C 0.6511(10) 0.7925(8) 0.0846(7) 0.082(2) Uani 0.6 1 d . U P A -1
H31A H 0.678786 0.844730 0.070101 0.099 Uiso 0.6 1 calc R U P A -1
C32 C 0.7293(11) 0.8201(9) 0.1804(8) 0.068(3) Uani 0.4 1 d D U P A 1
H32 H 0.780422 0.869230 0.217670 0.082 Uiso 0.4 1 calc R U P A 1
C32A C 0.6849(9) 0.7875(7) 0.1601(6) 0.079(2) Uani 0.6 1 d . U P A -1
H32A H 0.733192 0.838597 0.197484 0.095 Uiso 0.6 1 calc R U P A -1
C33 C 0.8005(8) 0.7078(8) 0.3062(8) 0.054(3) Uani 0.4 1 d . U P A 1
H33A H 0.847040 0.751408 0.290277 0.065 Uiso 0.4 1 calc R U P A 1
H33B H 0.829057 0.713503 0.360804 0.065 Uiso 0.4 1 calc R U P A 1
C33A C 0.7579(6) 0.6402(7) 0.2556(5) 0.0457(18) Uani 0.6 1 d . U P A -1
H33C H 0.714334 0.578250 0.228477 0.055 Uiso 0.6 1 calc R U P A -1
H33D H 0.792043 0.665891 0.222062 0.055 Uiso 0.6 1 calc R U P A -1
C34 C 0.7744(10) 0.6165(10) 0.2598(10) 0.052(3) Uani 0.4 1 d . U P A 1
H34A H 0.812114 0.622092 0.227048 0.062 Uiso 0.4 1 calc R U P A 1
H34B H 0.710500 0.586964 0.226119 0.062 Uiso 0.4 1 calc R U P A 1
C34A C 0.8233(5) 0.6452(5) 0.3297(4) 0.0462(15) Uani 0.6 1 d . U P A -1
H34C H 0.819814 0.678348 0.374324 0.055 Uiso 0.6 1 calc R U P A -1
H34D H 0.885960 0.675001 0.329457 0.055 Uiso 0.6 1 calc R U P A -1
C35 C 0.8103(3) 0.4779(3) 0.2654(2) 0.0672(11) Uani 1 1 d DG U . . .
C40A C 0.7463(3) 0.3941(3) 0.2206(3) 0.0741(18) Uani 0.6 1 d G U P E -1
H40A H 0.689026 0.366417 0.226642 0.089 Uiso 0.6 1 calc R U P E -1
C39A C 0.7662(5) 0.3507(3) 0.1669(4) 0.0789(16) Uani 0.6 1 d G U P E -1
H39A H 0.722438 0.293431 0.136239 0.095 Uiso 0.6 1 calc R U P E -1
C38A C 0.8500(5) 0.3912(5) 0.1580(3) 0.0793(15) Uani 0.6 1 d G U P E -1
H38A H 0.863589 0.361533 0.121302 0.095 Uiso 0.6 1 calc R U P E -1
C37A C 0.9140(4) 0.4750(5) 0.2028(4) 0.0834(16) Uani 0.6 1 d G U P E -1
H37A H 0.971329 0.502622 0.196767 0.100 Uiso 0.6 1 calc R U P E -1
C36A C 0.8942(3) 0.5183(3) 0.2565(3) 0.0806(17) Uani 0.6 1 d G U P E -1
H36A H 0.937919 0.575610 0.287171 0.097 Uiso 0.6 1 calc R U P E -1
C36 C 0.8814(9) 0.4677(10) 0.2598(8) 0.0741(17) Uani 0.4 1 d D U P E 1
H36 H 0.940090 0.510880 0.292590 0.089 Uiso 0.4 1 calc R U P E 1
C37 C 0.8737(10) 0.3985(9) 0.2093(8) 0.0757(17) Uani 0.4 1 d D U P E 1
H37 H 0.927205 0.400297 0.204539 0.091 Uiso 0.4 1 calc R U P E 1
C38 C 0.7915(9) 0.3267(10) 0.1653(8) 0.0750(18) Uani 0.4 1 d D U P E 1
H38 H 0.787889 0.277250 0.135045 0.090 Uiso 0.4 1 calc R U P E 1
C39 C 0.7140(10) 0.3305(10) 0.1676(8) 0.0733(18) Uani 0.4 1 d D U P E 1
H39 H 0.655630 0.285394 0.136040 0.088 Uiso 0.4 1 calc R U P E 1
C40 C 0.7256(8) 0.4040(7) 0.2188(8) 0.0677(18) Uani 0.4 1 d D U P E 1
H40 H 0.672614 0.404370 0.222437 0.081 Uiso 0.4 1 calc R U P E 1
C41 C 0.9034(7) 0.6186(7) 0.3895(6) 0.0452(17) Uani 0.4 1 d D U P A 1
C41A C 0.8888(7) 0.5614(6) 0.4301(5) 0.0624(16) Uani 0.6 1 d D U P A -1
C42 C 0.9758(6) 0.6727(7) 0.3698(6) 0.0504(18) Uani 0.4 1 d D U P A 1
H42 H 0.965330 0.668592 0.316789 0.061 Uiso 0.4 1 calc R U P A 1
C42A C 0.8975(8) 0.6163(8) 0.4927(5) 0.076(2) Uani 0.6 1 d D U P A -1
H42A H 0.860734 0.643261 0.489556 0.092 Uiso 0.6 1 calc R U P A -1
C43 C 1.0630(7) 0.7330(7) 0.4201(6) 0.0535(19) Uani 0.4 1 d D U P A 1
H43 H 1.109563 0.771810 0.404545 0.064 Uiso 0.4 1 calc R U P A 1
C43A C 0.9621(8) 0.6320(8) 0.5618(6) 0.086(2) Uani 0.6 1 d D U P A -1
H43A H 0.968347 0.669747 0.606256 0.104 Uiso 0.6 1 calc R U P A -1
C44 C 1.0732(9) 0.7294(9) 0.4951(7) 0.067(2) Uani 0.4 1 d D U P A 1
H44 H 1.131812 0.764019 0.532236 0.081 Uiso 0.4 1 calc R U P A 1
C44A C 1.0174(8) 0.5945(7) 0.5681(6) 0.081(2) Uani 0.6 1 d D U P A -1
H44A H 1.063865 0.608064 0.614574 0.098 Uiso 0.6 1 calc R U P A -1
C45 C 1.0044(7) 0.6791(8) 0.5196(7) 0.066(2) Uani 0.4 1 d D U P A 1
H45 H 1.014344 0.683475 0.572593 0.079 Uiso 0.4 1 calc R U P A 1
C45A C 1.0006(8) 0.5359(7) 0.5020(5) 0.085(2) Uani 0.6 1 d D U P A -1
H45A H 1.035304 0.506735 0.504594 0.101 Uiso 0.6 1 calc R U P A -1
C46 C 0.9203(8) 0.6221(9) 0.4654(6) 0.059(2) Uani 0.4 1 d D U P A 1
H46 H 0.873436 0.584667 0.481441 0.071 Uiso 0.4 1 calc R U P A 1
C46A C 0.9360(7) 0.5173(7) 0.4323(6) 0.0776(19) Uani 0.6 1 d D U P A -1
H46A H 0.925247 0.475814 0.388388 0.093 Uiso 0.6 1 calc R U P A -1
C47 C 0.3097(6) 0.4114(4) 0.0237(3) 0.0784(18) Uani 1 1 d . . . . .
H47 H 0.351418 0.391521 0.041937 0.094 Uiso 1 1 calc R U . . .
C48 C 0.3156(7) 0.4524(5) -0.0349(4) 0.101(3) Uani 1 1 d . . . . .
H48 H 0.361313 0.460425 -0.056607 0.121 Uiso 1 1 calc R U . . .
C49 C 0.2560(8) 0.4810(5) -0.0614(4) 0.101(3) Uani 1 1 d . . . . .
H49 H 0.260276 0.508840 -0.101577 0.122 Uiso 1 1 calc R U . . .
C50 C 0.1920(7) 0.4702(5) -0.0313(4) 0.106(3) Uani 1 1 d . . . . .
H50 H 0.150843 0.490337 -0.050505 0.127 Uiso 1 1 calc R U . . .
C51 C 0.1838(5) 0.4296(4) 0.0281(4) 0.0794(18) Uani 1 1 d . . . . .
H51 H 0.138018 0.422662 0.049424 0.095 Uiso 1 1 calc R U . . .
C52 C 0.2438(4) 0.3995(3) 0.0555(2) 0.0530(12) Uani 1 1 d . . . . .
C53 C 0.0549(4) 0.2445(4) 0.0678(3) 0.0688(15) Uani 1 1 d . . . . .
H53 H 0.067477 0.228493 0.023481 0.083 Uiso 1 1 calc R U . . .
C54 C -0.0330(4) 0.2080(5) 0.0666(4) 0.0835(19) Uani 1 1 d . . . . .
H54 H -0.080875 0.167853 0.021367 0.100 Uiso 1 1 calc R U . . .
C55 C -0.0512(4) 0.2298(5) 0.1315(5) 0.086(2) Uani 1 1 d . . . . .
H55 H -0.111662 0.204015 0.130940 0.103 Uiso 1 1 calc R U . . .
C56 C 0.0176(5) 0.2885(5) 0.1965(4) 0.089(2) Uani 1 1 d . . . . .
H56 H 0.004701 0.303066 0.241064 0.106 Uiso 1 1 calc R U . . .
C57 C 0.1058(4) 0.3268(4) 0.1976(3) 0.0658(14) Uani 1 1 d . . . . .
H57 H 0.153032 0.368207 0.242623 0.079 Uiso 1 1 calc R U . . .
C58 C 0.1256(3) 0.3050(3) 0.1336(3) 0.0472(10) Uani 1 1 d . . . . .
C59 C 0.2572(3) 0.2590(3) 0.1084(3) 0.0473(10) Uani 1 1 d . . . . .
H59A H 0.219615 0.228337 0.054110 0.057 Uiso 1 1 calc R U . . .
H59B H 0.321021 0.279490 0.112903 0.057 Uiso 1 1 calc R U . . .
C60 C 0.2308(3) 0.1947(3) 0.1580(3) 0.0514(11) Uani 1 1 d . . . . .
H60A H 0.178266 0.138461 0.125320 0.062 Uiso 1 1 calc R U . . .
H60B H 0.212628 0.218233 0.197651 0.062 Uiso 1 1 calc R U . . .
C61 C 0.3446(3) 0.1254(3) 0.1261(2) 0.0451(10) Uani 1 1 d . . . . .
C62 C 0.4334(4) 0.1549(4) 0.1298(3) 0.0584(12) Uani 1 1 d . . . . .
H62 H 0.480651 0.202251 0.171183 0.070 Uiso 1 1 calc R U . . .
C63 C 0.4539(5) 0.1162(4) 0.0741(4) 0.0730(16) Uani 1 1 d . . . . .
H63 H 0.514817 0.135375 0.077650 0.088 Uiso 1 1 calc R U . . .
C64 C 0.3841(5) 0.0488(4) 0.0129(3) 0.0702(17) Uani 1 1 d . . . . .
H64 H 0.397394 0.022664 -0.026384 0.084 Uiso 1 1 calc R U . . .
C65 C 0.2965(5) 0.0196(3) 0.0082(3) 0.0683(17) Uani 1 1 d . . . . .
H65 H 0.249439 -0.026788 -0.034010 0.082 Uiso 1 1 calc R U . . .
C66 C 0.2758(4) 0.0575(3) 0.0651(3) 0.0570(12) Uani 1 1 d . . . . .
H66 H 0.214754 0.036806 0.062010 0.068 Uiso 1 1 calc R U . . .
C67 C 0.2732(4) 0.0894(3) 0.2483(3) 0.0509(11) Uani 1 1 d . . . . .
C68 C 0.2846(6) 0.0174(4) 0.2409(4) 0.086(2) Uani 1 1 d . . . . .
H68 H 0.316582 0.009537 0.208990 0.103 Uiso 1 1 calc R U . . .
C69 C 0.2498(8) -0.0447(5) 0.2800(5) 0.116(3) Uani 1 1 d . . . . .
H69 H 0.257081 -0.094992 0.273678 0.139 Uiso 1 1 calc R U . . .
C70 C 0.2053(6) -0.0332(5) 0.3273(4) 0.097(2) Uani 1 1 d . . . . .
H70 H 0.181238 -0.075704 0.353504 0.116 Uiso 1 1 calc R U . . .
C71 C 0.1955(5) 0.0397(4) 0.3369(4) 0.0768(17) Uani 1 1 d . . . . .
H71 H 0.165436 0.048377 0.370276 0.092 Uiso 1 1 calc R U . . .
C72 C 0.2297(4) 0.1008(4) 0.2976(3) 0.0621(13) Uani 1 1 d . . . . .
H72 H 0.223167 0.151481 0.304840 0.074 Uiso 1 1 calc R U . . .
C73 C 0.4385(4) 0.1577(3) 0.5020(3) 0.0638(15) Uani 1 1 d . . . . .
C74 C 0.4158(7) 0.0643(4) 0.5009(4) 0.115(3) Uani 1 1 d . . . . .
H74A H 0.369070 0.025087 0.452045 0.172 Uiso 1 1 calc R U . . .
H74B H 0.393650 0.049103 0.543011 0.172 Uiso 1 1 calc R U . . .
H74C H 0.469967 0.058379 0.506778 0.172 Uiso 1 1 calc R U . . .
C75 C 0.1550(4) 0.2445(3) 0.3965(4) 0.0655(14) Uani 1 1 d . . . . .
C76 C 0.0565(5) 0.1715(5) 0.3665(7) 0.131(4) Uani 1 1 d . . . . .
H76A H 0.020265 0.186678 0.328123 0.196 Uiso 1 1 calc R U . . .
H76B H 0.033111 0.164299 0.409025 0.196 Uiso 1 1 calc R U . . .
H76C H 0.053153 0.116896 0.343111 0.196 Uiso 1 1 calc R U . . .
C77 C 0.2075(4) 0.5605(5) 0.3865(3) 0.0735(17) Uani 1 1 d . . . . .
C78 C 0.1175(7) 0.5562(9) 0.3534(5) 0.144(5) Uani 1 1 d . . . . .
H78A H 0.126986 0.611816 0.342626 0.215 Uiso 1 1 calc R U . . .
H78B H 0.085350 0.544844 0.390099 0.215 Uiso 1 1 calc R U . . .
H78C H 0.081798 0.509215 0.305769 0.215 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 Cu1 2.3931(10) 2_666 ?
Cu1 HH 1.64(6) . ?
Cu1 HA 1.75(6) . ?
Cu1 Cu2 2.7438(8) 2_666 ?
Cu1 Cu2 2.7468(8) . ?
Cu1 Cu3 2.4981(8) . ?
Cu1 Cu4 2.5217(7) . ?
Cu1 Cu5 2.8169(8) . ?
Cu1 Cu6 2.7168(8) . ?
Cu1 Cu6 2.7030(8) 2_666 ?
Cu1 Cu7 2.5239(8) 2_666 ?
Cu1 Cu9 2.5230(8) 2_666 ?
Cu1 Cu10 2.8903(9) 2_666 ?
Cu2 HH 1.69(6) . ?
Cu2 HB 1.59(8) . ?
Cu2 HC 1.85(5) . ?
Cu2 HD 1.65(6) . ?
Cu2 Cu4 2.9822(8) . ?
Cu2 Cu5 2.6087(8) . ?
Cu2 Cu7 2.8509(8) . ?
Cu2 Cu8 2.5422(7) . ?
Cu2 Cu10 2.6439(8) . ?
Cu2 Cu11 2.7889(9) . ?
Cu2 Cu13 2.5561(8) . ?
Cu3 HA 1.80(7) . ?
Cu3 HE 1.85(8) . ?
Cu3 Cu4 2.7003(8) . ?
Cu3 Cu5 2.5485(8) . ?
Cu3 Cu6 2.8972(8) 2_666 ?
Cu3 Cu7 2.6776(9) 2_666 ?
Cu3 Cu14 2.6371(9) 2_666 ?
Cu3 S2 2.3480(11) 2_666 ?
Cu3 O6 1.971(3) . ?
Cu4 HA 1.86(6) . ?
Cu4 HB 1.78(8) . ?
Cu4 Cu5 2.5541(8) . ?
Cu4 Cu8 2.6208(8) . ?
Cu4 Cu9 2.6284(9) 2_666 ?
Cu4 S1 2.3527(11) . ?
Cu4 O5AA 1.993(3) . ?
Cu5 HB 1.90(8) . ?
Cu5 HE 1.77(8) . ?
Cu5 Cu6 2.6449(8) 2_666 ?
Cu5 Cu10 2.6220(8) . ?
Cu5 O 1.983(3) . ?
Cu6 HH 1.71(6) . ?
Cu6 HF 1.73(7) . ?
Cu6 Cu9 2.9385(8) 2_666 ?
Cu6 Cu10 2.6075(8) 2_666 ?
Cu6 Cu11 2.8138(9) . ?
Cu6 Cu12 2.5186(8) . ?
Cu6 Cu14 2.5263(9) . ?
Cu7 HC 1.65(5) . ?
Cu7 Cu9 2.6882(8) . ?
Cu7 Cu10 2.5620(8) . ?
Cu7 Cu13 2.6261(9) . ?
Cu7 S2 2.3841(12) . ?
Cu7 O1AA 1.986(3) . ?
Cu8 HB 1.85(8) . ?
Cu8 HD 1.80(5) . ?
Cu8 Cu11 2.6709(9) . ?
Cu8 S1 2.3191(11) . ?
Cu8 P4 2.2297(12) . ?
Cu9 HG 1.65(8) . ?
Cu9 Cu10 2.5605(8) . ?
Cu9 Cu12 2.6052(9) 2_666 ?
Cu9 S1 2.4041(11) 2_666 ?
Cu9 O2AA 1.993(3) . ?
Cu10 HC 1.61(5) . ?
Cu10 HG 1.68(8) . ?
Cu10 O3AA 1.977(4) . ?
Cu11 HD 1.78(6) . ?
Cu11 HF 1.56(7) . ?
Cu11 Cu12 2.6667(10) . ?
Cu11 Cu13 2.6285(10) . ?
Cu11 Cu14 2.6697(10) . ?
Cu11 Cl1 2.2341(13) . ?
Cu12 HF 1.85(6) . ?
Cu12 S1 2.3035(12) . ?
Cu12 P1 2.299(4) . ?
Cu12 P1A 2.183(2) . ?
Cu13 HD 1.82(5) . ?
Cu13 S2 2.2704(12) . ?
Cu13 P3 2.2110(12) . ?
Cu14 HF 1.80(6) . ?
Cu14 S2 2.2902(13) . ?
Cu14 P2 2.1858(15) . ?
S1 C11 1.785(4) . ?
S2 C1 1.793(4) . ?
P1 P1A 0.671(3) . ?
P1 C21 1.78(3) . ?
P1 C21A 1.218(10) . ?
P1 C26A 2.040(12) . ?
P1 C27 1.851(15) . ?
P1 C27A 2.114(11) . ?
P1 C33 1.830(11) . ?
P1 C33A 2.338(10) . ?
P1A C21A 1.792(9) . ?
P1A C27 1.707(14) . ?
P1A C27A 1.821(10) . ?
P1A C28 2.35(2) . ?
P1A C33 1.724(11) . ?
P1A C33A 1.869(10) . ?
P2 C34 2.117(15) . ?
P2 C34A 1.698(7) . ?
P2 C35 1.779(4) . ?
P2 C41 1.730(11) . ?
P2 C41A 1.983(9) . ?
P3 C60 1.834(5) . ?
P3 C61 1.818(4) . ?
P3 C67 1.815(5) . ?
P4 C52 1.826(5) . ?
P4 C58 1.819(5) . ?
P4 C59 1.844(4) . ?
O C75 1.267(7) . ?
O1AA C73 1.254(7) . ?
O2AA C73 1.251(7) . ?
O3AA C75 1.241(7) . ?
O5AA C77 1.258(7) . ?
O6 C77 1.259(7) . ?
C1 C2 1.368(7) . ?
C1 C6 1.371(8) . ?
C2 H2 0.9500 . ?
C2 C3 1.378(8) . ?
C3 H3 0.9500 . ?
C3 C4 1.389(10) . ?
C4 C5 1.389(10) . ?
C4 C7 1.548(8) . ?
C5 H5 0.9500 . ?
C5 C6 1.393(7) . ?
C6 H6 0.9500 . ?
C7 C8 1.522(16) . ?
C7 C8A 1.46(4) . ?
C7 C9 1.555(9) . ?
C7 C9A 1.50(2) . ?
C7 C10 1.497(18) . ?
C7 C10A 1.552(10) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C8A H8AA 0.9800 . ?
C8A H8AB 0.9800 . ?
C8A H8AC 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C9A H9AA 0.9800 . ?
C9A H9AB 0.9800 . ?
C9A H9AC 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C10A H10D 0.9800 . ?
C10A H10E 0.9800 . ?
C10A H10F 0.9800 . ?
C11 C12 1.370(7) . ?
C11 C12A 1.381(9) . ?
C11 C16 1.380(6) . ?
C11 C16A 1.28(2) . ?
C12 H12 0.9500 . ?
C12 C13 1.377(8) . ?
C12A H12A 0.9500 . ?
C12A C13A 1.40(3) . ?
C13 H13 0.9500 . ?
C13 C14 1.385(8) . ?
C13A H13A 0.9500 . ?
C13A C14 1.33(2) . ?
C14 C15 1.361(8) . ?
C14 C15A 1.34(2) . ?
C14 C17 1.540(5) . ?
C15 H15 0.9500 . ?
C15 C16 1.396(8) . ?
C15A H15A 0.9500 . ?
C15A C16A 1.43(3) . ?
C16 H16 0.9500 . ?
C16A H16A 0.9500 . ?
C17 C18 1.527(8) . ?
C17 C18A 1.554(9) . ?
C17 C19 1.541(9) . ?
C17 C19A 1.560(10) . ?
C17 C20 1.523(9) . ?
C17 C20A 1.543(10) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C18A H18D 0.9800 . ?
C18A H18E 0.9800 . ?
C18A H18F 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C19A H19D 0.9800 . ?
C19A H19E 0.9800 . ?
C19A H19F 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C20A H20D 0.9800 . ?
C20A H20E 0.9800 . ?
C20A H20F 0.9800 . ?
C21 C21A 0.89(3) . ?
C21 C22 1.389(10) . ?
C21 C22A 1.86(3) . ?
C21 C25A 1.67(3) . ?
C21 C26 1.37(3) . ?
C21 C26A 0.59(2) . ?
C21A C22 1.604(17) . ?
C21A C22A 1.394(8) . ?
C21A C26A 1.327(16) . ?
C21A C33 1.952(14) . ?
C22 H22 0.9500 . ?
C22 C22A 1.26(2) . ?
C22 C23 1.26(2) . ?
C22 C23A 1.06(2) . ?
C22 C24A 1.390(10) . ?
C22 C25A 1.62(2) . ?
C22 C26A 1.68(2) . ?
C22A H22A 0.9500 . ?
C22A C23A 1.426(14) . ?
C23 H23 0.9500 . ?
C23 C23A 1.385(9) . ?
C23 C24 1.55(3) . ?
C23 C25A 1.399(9) . ?
C23A H23A 0.9500 . ?
C23A C24A 1.58(2) . ?
C24 H24 0.9500 . ?
C24 C24A 1.384(10) . ?
C24 C25 1.383(10) . ?
C24 C25A 1.26(2) . ?
C24A H24A 0.9500 . ?
C24A C25A 1.28(3) . ?
C25 H25 0.9500 . ?
C25 C25A 1.24(2) . ?
C25 C26 1.391(10) . ?
C25A H25A 0.9500 . ?
C25A C26 1.39(2) . ?
C25A C26A 1.419(14) . ?
C26 H26 0.9500 . ?
C26 C26A 0.94(2) . ?
C26A H26A 0.9500 . ?
C27 C27A 0.552(15) . ?
C27 C28 1.31(3) . ?
C27 C28A 1.935(17) . ?
C27 C32 1.403(9) . ?
C27 C32A 1.126(17) . ?
C27A C28 0.77(2) . ?
C27A C28A 1.384(8) . ?
C27A C29 2.01(2) . ?
C27A C32 1.800(17) . ?
C27A C32A 1.345(14) . ?
C28 H28 0.9500 . ?
C28 C28A 0.651(18) . ?
C28 C29 1.45(2) . ?
C28 C29A 1.73(2) . ?
C28 C32A 1.77(2) . ?
C28A H28A 0.9500 . ?
C28A C29 1.35(2) . ?
C28A C29A 1.381(8) . ?
C29 H29 0.9500 . ?
C29 C29A 0.638(18) . ?
C29 C30 1.36(2) . ?
C29 C30A 1.046(19) . ?
C29 C31A 1.80(2) . ?
C29A H29A 0.9500 . ?
C29A C30 1.879(19) . ?
C29A C30A 1.382(9) . ?
C30 H30 0.9500 . ?
C30 C30A 0.696(17) . ?
C30 C31 1.392(10) . ?
C30 C31A 0.772(16) . ?
C30 C32A 1.96(2) . ?
C30A H30A 0.9500 . ?
C30A C31A 1.384(16) . ?
C31 H31 0.9500 . ?
C31 C31A 0.735(17) . ?
C31 C32 1.401(9) . ?
C31 C32A 1.296(19) . ?
C31A H31A 0.9500 . ?
C31A C32 1.819(18) . ?
C31A C32A 1.420(14) . ?
C32 H32 0.9500 . ?
C32 C32A 0.700(16) . ?
C32A H32A 0.9500 . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C33 C33A 1.213(16) . ?
C33 C34 1.54(2) . ?
C33 C34A 1.414(13) . ?
C33A H33C 0.9900 . ?
C33A H33D 0.9900 . ?
C33A C34 0.605(11) . ?
C33A C34A 1.528(12) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C34A 1.266(19) . ?
C34A H34C 0.9900 . ?
C34A H34D 0.9900 . ?
C34A C41 1.835(12) . ?
C35 C40A 1.3900 . ?
C35 C36A 1.3900 . ?
C35 C36 1.359(9) . ?
C35 C40 1.432(9) . ?
C40A H40A 0.9500 . ?
C40A C39A 1.3900 . ?
C40A C36 2.011(14) . ?
C40A C38 2.007(11) . ?
C40A C39 1.206(14) . ?
C39A H39A 0.9500 . ?
C39A C38A 1.3900 . ?
C39A C37 1.611(16) . ?
C39A C38 0.737(12) . ?
C39A C39 0.828(14) . ?
C39A C40 1.742(14) . ?
C38A H38A 0.9500 . ?
C38A C37A 1.3900 . ?
C38A C36 1.987(13) . ?
C38A C37 0.914(15) . ?
C38A C38 1.209(17) . ?
C37A H37A 0.9500 . ?
C37A C36A 1.3900 . ?
C37A C36 1.324(14) . ?
C37A C37 1.263(16) . ?
C36A H36A 0.9500 . ?
C36A C36 0.838(15) . ?
C36A C37 2.028(12) . ?
C36 H36 0.9500 . ?
C36 C37 1.383(9) . ?
C37 H37 0.9500 . ?
C37 C38 1.386(10) . ?
C38 H38 0.9500 . ?
C38 C39 1.397(9) . ?
C39 H39 0.9500 . ?
C39 C40 1.418(9) . ?
C40 H40 0.9500 . ?
C41 C41A 1.316(13) . ?
C41 C42 1.387(9) . ?
C41 C42A 1.966(13) . ?
C41 C46 1.366(9) . ?
C41A C42A 1.355(8) . ?
C41A C46 1.010(15) . ?
C41A C46A 1.359(8) . ?
C42 H42 0.9500 . ?
C42 C43 1.404(9) . ?
C42A H42A 0.9500 . ?
C42A C43A 1.392(9) . ?
C42A C45 1.603(17) . ?
C42A C46 0.714(15) . ?
C43 H43 0.9500 . ?
C43 C44 1.383(9) . ?
C43A H43A 0.9500 . ?
C43A C44A 1.384(7) . ?
C43A C45 1.337(18) . ?
C43A C46 1.725(15) . ?
C44 H44 0.9500 . ?
C44 C45 1.379(9) . ?
C44A H44A 0.9500 . ?
C44A C45 1.911(17) . ?
C44A C45A 1.387(9) . ?
C45 H45 0.9500 . ?
C45 C46 1.386(9) . ?
C45A H45A 0.9500 . ?
C45A C46A 1.387(9) . ?
C46 H46 0.9500 . ?
C46 C46A 2.034(18) . ?
C46A H46A 0.9500 . ?
C47 H47 0.9500 . ?
C47 C48 1.391(9) . ?
C47 C52 1.375(9) . ?
C48 H48 0.9500 . ?
C48 C49 1.363(12) . ?
C49 H49 0.9500 . ?
C49 C50 1.329(13) . ?
C50 H50 0.9500 . ?
C50 C51 1.403(10) . ?
C51 H51 0.9500 . ?
C51 C52 1.392(8) . ?
C53 H53 0.9500 . ?
C53 C54 1.379(9) . ?
C53 C58 1.397(7) . ?
C54 H54 0.9500 . ?
C54 C55 1.381(10) . ?
C55 H55 0.9500 . ?
C55 C56 1.370(10) . ?
C56 H56 0.9500 . ?
C56 C57 1.384(9) . ?
C57 H57 0.9500 . ?
C57 C58 1.383(7) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C59 C60 1.547(7) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C61 C62 1.388(8) . ?
C61 C66 1.382(7) . ?
C62 H62 0.9500 . ?
C62 C63 1.381(8) . ?
C63 H63 0.9500 . ?
C63 C64 1.385(10) . ?
C64 H64 0.9500 . ?
C64 C65 1.363(10) . ?
C65 H65 0.9500 . ?
C65 C66 1.393(8) . ?
C66 H66 0.9500 . ?
C67 C68 1.370(8) . ?
C67 C72 1.382(8) . ?
C68 H68 0.9500 . ?
C68 C69 1.398(10) . ?
C69 H69 0.9500 . ?
C69 C70 1.367(11) . ?
C70 H70 0.9500 . ?
C70 C71 1.369(10) . ?
C71 H71 0.9500 . ?
C71 C72 1.387(8) . ?
C72 H72 0.9500 . ?
C73 C74 1.519(7) . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 C76 1.535(8) . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C77 C78 1.507(9) . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?

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 Cu1 HH 49(2) 2_666 . ?
Cu1 Cu1 HA 178(2) 2_666 . ?
Cu1 Cu1 Cu2 64.10(3) 2_666 . ?
Cu1 Cu1 Cu2 64.22(3) 2_666 2_666 ?
Cu1 Cu1 Cu3 131.57(4) 2_666 . ?
Cu1 Cu1 Cu4 132.82(4) 2_666 . ?
Cu1 Cu1 Cu5 93.23(3) 2_666 . ?
Cu1 Cu1 Cu6 64.09(3) 2_666 2_666 ?
Cu1 Cu1 Cu6 63.50(3) 2_666 . ?
Cu1 Cu1 Cu7 129.40(4) 2_666 2_666 ?
Cu1 Cu1 Cu9 131.37(4) 2_666 2_666 ?
Cu1 Cu1 Cu10 91.35(3) 2_666 2_666 ?
HH Cu1 HA 133(3) . . ?
Cu2 Cu1 HH 35(2) . . ?
Cu2 Cu1 HH 104(2) 2_666 . ?
Cu2 Cu1 HA 115(2) 2_666 . ?
Cu2 Cu1 HA 116(2) . . ?
Cu2 Cu1 Cu2 128.32(2) 2_666 . ?
Cu2 Cu1 Cu5 55.91(2) . . ?
Cu2 Cu1 Cu5 127.61(3) 2_666 . ?
Cu2 Cu1 Cu10 55.90(2) 2_666 2_666 ?
Cu2 Cu1 Cu10 125.49(3) . 2_666 ?
Cu3 Cu1 HH 147(2) . . ?
Cu3 Cu1 HA 46(2) . . ?
Cu3 Cu1 Cu2 111.44(3) . . ?
Cu3 Cu1 Cu2 102.29(3) . 2_666 ?
Cu3 Cu1 Cu4 65.08(2) . . ?
Cu3 Cu1 Cu5 56.93(2) . . ?
Cu3 Cu1 Cu6 164.60(3) . . ?
Cu3 Cu1 Cu6 67.57(2) . 2_666 ?
Cu3 Cu1 Cu7 64.44(2) . 2_666 ?
Cu3 Cu1 Cu9 97.03(3) . 2_666 ?
Cu3 Cu1 Cu10 120.37(3) . 2_666 ?
Cu4 Cu1 HH 92(2) . . ?
Cu4 Cu1 HA 47(2) . . ?
Cu4 Cu1 Cu2 68.80(2) . . ?
Cu4 Cu1 Cu2 162.74(3) . 2_666 ?
Cu4 Cu1 Cu5 56.84(2) . . ?
Cu4 Cu1 Cu6 112.12(3) . 2_666 ?
Cu4 Cu1 Cu6 102.95(3) . . ?
Cu4 Cu1 Cu7 97.75(3) . 2_666 ?
Cu4 Cu1 Cu9 62.80(2) . 2_666 ?
Cu4 Cu1 Cu10 118.76(3) . 2_666 ?
Cu5 Cu1 HH 91(2) . . ?
Cu5 Cu1 HA 85(2) . . ?
Cu5 Cu1 Cu10 175.24(2) . 2_666 ?
Cu6 Cu1 HH 37(2) . . ?
Cu6 Cu1 HH 103(2) 2_666 . ?
Cu6 Cu1 HA 119(2) . . ?
Cu6 Cu1 HA 114(2) 2_666 . ?
Cu6 Cu1 Cu2 87.33(2) 2_666 . ?
Cu6 Cu1 Cu2 70.22(2) . . ?
Cu6 Cu1 Cu2 70.46(2) 2_666 2_666 ?
Cu6 Cu1 Cu2 87.12(2) . 2_666 ?
Cu6 Cu1 Cu5 126.04(3) . . ?
Cu6 Cu1 Cu5 57.22(2) 2_666 . ?
Cu6 Cu1 Cu6 127.60(2) 2_666 . ?
Cu6 Cu1 Cu10 126.36(3) 2_666 2_666 ?
Cu6 Cu1 Cu10 55.32(2) . 2_666 ?
Cu7 Cu1 HH 147(2) 2_666 . ?
Cu7 Cu1 HA 50(2) 2_666 . ?
Cu7 Cu1 Cu2 65.38(2) 2_666 2_666 ?
Cu7 Cu1 Cu2 165.76(3) 2_666 . ?
Cu7 Cu1 Cu5 121.34(3) 2_666 . ?
Cu7 Cu1 Cu6 109.97(3) 2_666 . ?
Cu7 Cu1 Cu6 102.64(3) 2_666 2_666 ?
Cu7 Cu1 Cu10 56.00(2) 2_666 2_666 ?
Cu9 Cu1 HH 93(2) 2_666 . ?
Cu9 Cu1 HA 51(2) 2_666 . ?
Cu9 Cu1 Cu2 103.88(3) 2_666 . ?
Cu9 Cu1 Cu2 109.66(3) 2_666 2_666 ?
Cu9 Cu1 Cu5 119.63(3) 2_666 . ?
Cu9 Cu1 Cu6 68.11(2) 2_666 . ?
Cu9 Cu1 Cu6 163.73(3) 2_666 2_666 ?
Cu9 Cu1 Cu7 64.37(2) 2_666 2_666 ?
Cu9 Cu1 Cu10 55.96(2) 2_666 2_666 ?
Cu10 Cu1 HH 92(2) 2_666 . ?
Cu10 Cu1 HA 90(2) 2_666 . ?
Cu1 Cu2 Cu1 51.68(2) 2_666 . ?
Cu1 Cu2 HH 34.0(19) . . ?
Cu1 Cu2 HH 40(2) 2_666 . ?
Cu1 Cu2 HB 126(3) 2_666 . ?
Cu1 Cu2 HB 78(3) . . ?
Cu1 Cu2 HC 120.3(16) . . ?
Cu1 Cu2 HC 76.5(16) 2_666 . ?
Cu1 Cu2 HD 135(2) . . ?
Cu1 Cu2 HD 137(2) 2_666 . ?
Cu1 Cu2 Cu4 103.67(2) 2_666 . ?
Cu1 Cu2 Cu4 52.030(17) . . ?
Cu1 Cu2 Cu7 53.590(19) 2_666 . ?
Cu1 Cu2 Cu7 105.15(2) . . ?
Cu1 Cu2 Cu11 103.52(3) . . ?
Cu1 Cu2 Cu11 104.88(3) 2_666 . ?
HH Cu2 HB 105(4) . . ?
HH Cu2 HC 115(3) . . ?
HH Cu2 HD 116(3) . . ?
HB Cu2 HC 126(4) . . ?
HB Cu2 HD 90(3) . . ?
HC Cu2 HD 102(3) . . ?
Cu4 Cu2 HH 76.1(19) . . ?
Cu4 Cu2 HB 29(3) . . ?
Cu4 Cu2 HC 147.2(15) . . ?
Cu4 Cu2 HD 99.1(19) . . ?
Cu5 Cu2 Cu1 90.35(2) . 2_666 ?
Cu5 Cu2 Cu1 63.41(2) . . ?
Cu5 Cu2 HH 97(2) . . ?
Cu5 Cu2 HB 46(3) . . ?
Cu5 Cu2 HC 93.5(15) . . ?
Cu5 Cu2 HD 132(2) . . ?
Cu5 Cu2 Cu4 53.862(19) . . ?
Cu5 Cu2 Cu7 114.34(3) . . ?
Cu5 Cu2 Cu10 59.89(2) . . ?
Cu5 Cu2 Cu11 147.11(3) . . ?
Cu7 Cu2 HH 86(2) . . ?
Cu7 Cu2 HB 158(3) . . ?
Cu7 Cu2 HC 33.3(15) . . ?
Cu7 Cu2 HD 102.6(19) . . ?
Cu7 Cu2 Cu4 156.47(3) . . ?
Cu8 Cu2 Cu1 150.01(3) . 2_666 ?
Cu8 Cu2 Cu1 103.92(2) . . ?
Cu8 Cu2 HH 110(2) . . ?
Cu8 Cu2 HB 46(3) . . ?
Cu8 Cu2 HC 133.0(16) . . ?
Cu8 Cu2 HD 44.7(19) . . ?
Cu8 Cu2 Cu4 55.96(2) . . ?
Cu8 Cu2 Cu5 92.57(3) . . ?
Cu8 Cu2 Cu7 146.97(3) . . ?
Cu8 Cu2 Cu10 140.10(3) . . ?
Cu8 Cu2 Cu11 59.92(2) . . ?
Cu8 Cu2 Cu13 89.17(3) . . ?
Cu10 Cu2 Cu1 89.50(2) . . ?
Cu10 Cu2 Cu1 64.86(2) . 2_666 ?
Cu10 Cu2 HH 102(2) . . ?
Cu10 Cu2 HB 103(3) . . ?
Cu10 Cu2 HC 37.0(15) . . ?
Cu10 Cu2 HD 136(2) . . ?
Cu10 Cu2 Cu4 112.65(3) . . ?
Cu10 Cu2 Cu7 55.43(2) . . ?
Cu10 Cu2 Cu11 153.00(3) . . ?
Cu11 Cu2 HH 79(2) . . ?
Cu11 Cu2 HB 103(3) . . ?
Cu11 Cu2 HC 118.2(15) . . ?
Cu11 Cu2 HD 37(2) . . ?
Cu11 Cu2 Cu4 93.81(2) . . ?
Cu11 Cu2 Cu7 97.96(2) . . ?
Cu13 Cu2 Cu1 105.00(3) . 2_666 ?
Cu13 Cu2 Cu1 148.89(3) . . ?
Cu13 Cu2 HH 115.1(19) . . ?
Cu13 Cu2 HB 129(3) . . ?
Cu13 Cu2 HC 61.4(15) . . ?
Cu13 Cu2 HD 45.3(19) . . ?
Cu13 Cu2 Cu4 144.45(3) . . ?
Cu13 Cu2 Cu5 145.28(3) . . ?
Cu13 Cu2 Cu7 57.81(2) . . ?
Cu13 Cu2 Cu10 98.39(3) . . ?
Cu13 Cu2 Cu11 58.72(2) . . ?
Cu1 Cu3 HA 44.6(19) . . ?
Cu1 Cu3 HE 83(2) . . ?
Cu1 Cu3 Cu4 57.88(2) . . ?
Cu1 Cu3 Cu5 67.85(2) . . ?
Cu1 Cu3 Cu6 59.59(2) . 2_666 ?
Cu1 Cu3 Cu7 58.25(2) . 2_666 ?
Cu1 Cu3 Cu14 108.21(3) . 2_666 ?
HA Cu3 HE 125(3) . . ?
Cu4 Cu3 HA 43(2) . . ?
Cu4 Cu3 HE 101(2) . . ?
Cu4 Cu3 Cu6 101.48(2) . 2_666 ?
Cu5 Cu3 HA 93(2) . . ?
Cu5 Cu3 HE 44(2) . . ?
Cu5 Cu3 Cu4 58.15(2) . . ?
Cu5 Cu3 Cu6 57.69(2) . 2_666 ?
Cu5 Cu3 Cu7 126.07(3) . 2_666 ?
Cu5 Cu3 Cu14 95.96(3) . 2_666 ?
Cu6 Cu3 HA 104.1(19) 2_666 . ?
Cu6 Cu3 HE 31(3) 2_666 . ?
Cu7 Cu3 HA 47(2) 2_666 . ?
Cu7 Cu3 HE 125(3) 2_666 . ?
Cu7 Cu3 Cu4 89.94(3) 2_666 . ?
Cu7 Cu3 Cu6 94.06(2) 2_666 2_666 ?
Cu14 Cu3 HA 144(2) 2_666 . ?
Cu14 Cu3 HE 52(2) 2_666 . ?
Cu14 Cu3 Cu4 153.11(3) 2_666 . ?
Cu14 Cu3 Cu6 54.07(2) 2_666 2_666 ?
Cu14 Cu3 Cu7 101.77(3) 2_666 2_666 ?
S2 Cu3 Cu1 102.08(3) 2_666 . ?
S2 Cu3 HA 102(2) 2_666 . ?
S2 Cu3 HE 104(2) 2_666 . ?
S2 Cu3 Cu4 145.54(4) 2_666 . ?
S2 Cu3 Cu5 145.35(4) 2_666 . ?
S2 Cu3 Cu6 88.25(3) 2_666 2_666 ?
S2 Cu3 Cu7 56.18(3) 2_666 2_666 ?
S2 Cu3 Cu14 54.32(3) 2_666 2_666 ?
O6 Cu3 Cu1 140.83(11) . . ?
O6 Cu3 HA 108(2) . . ?
O6 Cu3 HE 105(3) . . ?
O6 Cu3 Cu4 82.97(11) . . ?
O6 Cu3 Cu5 91.77(15) . . ?
O6 Cu3 Cu6 136.68(18) . 2_666 ?
O6 Cu3 Cu7 129.21(18) . 2_666 ?
O6 Cu3 Cu14 106.86(14) . 2_666 ?
O6 Cu3 S2 112.32(12) . 2_666 ?
Cu1 Cu4 HA 44.0(19) . . ?
Cu1 Cu4 Cu2 59.17(2) . . ?
Cu1 Cu4 HB 82(3) . . ?
Cu1 Cu4 Cu3 57.03(2) . . ?
Cu1 Cu4 Cu5 67.41(2) . . ?
Cu1 Cu4 Cu8 108.25(3) . . ?
Cu1 Cu4 Cu9 58.62(2) . 2_666 ?
HA Cu4 HB 124(3) . . ?
Cu2 Cu4 HA 103.2(19) . . ?
Cu2 Cu4 HB 26(3) . . ?
Cu3 Cu4 HA 42(2) . . ?
Cu3 Cu4 Cu2 99.35(2) . . ?
Cu3 Cu4 HB 104(3) . . ?
Cu5 Cu4 HA 91(2) . . ?
Cu5 Cu4 Cu2 55.58(2) . . ?
Cu5 Cu4 HB 48(3) . . ?
Cu5 Cu4 Cu3 57.95(2) . . ?
Cu5 Cu4 Cu8 92.02(3) . . ?
Cu5 Cu4 Cu9 126.02(3) . 2_666 ?
Cu8 Cu4 HA 146.7(19) . . ?
Cu8 Cu4 Cu2 53.493(18) . . ?
Cu8 Cu4 HB 45(3) . . ?
Cu8 Cu4 Cu3 149.29(3) . . ?
Cu8 Cu4 Cu9 105.28(3) . 2_666 ?
Cu9 Cu4 HA 48(2) 2_666 . ?
Cu9 Cu4 Cu2 95.24(2) 2_666 . ?
Cu9 Cu4 HB 120(3) 2_666 . ?
Cu9 Cu4 Cu3 89.79(2) 2_666 . ?
S1 Cu4 Cu1 101.13(3) . . ?
S1 Cu4 HA 105(2) . . ?
S1 Cu4 Cu2 86.46(3) . . ?
S1 Cu4 HB 95(3) . . ?
S1 Cu4 Cu3 147.15(4) . . ?
S1 Cu4 Cu5 141.37(3) . . ?
S1 Cu4 Cu8 55.27(3) . . ?
S1 Cu4 Cu9 57.39(3) . 2_666 ?
O5AA Cu4 Cu1 140.80(10) . . ?
O5AA Cu4 HA 106.6(19) . . ?
O5AA Cu4 Cu2 137.18(12) . . ?
O5AA Cu4 HB 112(3) . . ?
O5AA Cu4 Cu3 83.76(10) . . ?
O5AA Cu4 Cu5 93.45(12) . . ?
O5AA Cu4 Cu8 106.22(10) . . ?
O5AA Cu4 Cu9 127.56(12) . 2_666 ?
O5AA Cu4 S1 113.67(11) . . ?
Cu1 Cu5 HB 72(3) . . ?
Cu1 Cu5 HE 76(3) . . ?
Cu2 Cu5 Cu1 60.69(2) . . ?
Cu2 Cu5 HB 37(2) . . ?
Cu2 Cu5 HE 126(3) . . ?
Cu2 Cu5 Cu6 91.49(2) . 2_666 ?
Cu2 Cu5 Cu10 60.72(2) . . ?
HB Cu5 HE 147(4) . . ?
Cu3 Cu5 Cu1 55.22(2) . . ?
Cu3 Cu5 Cu2 114.44(3) . . ?
Cu3 Cu5 HB 106(2) . . ?
Cu3 Cu5 HE 47(3) . . ?
Cu3 Cu5 Cu4 63.90(2) . . ?
Cu3 Cu5 Cu6 67.79(2) . 2_666 ?
Cu3 Cu5 Cu10 126.29(3) . . ?
Cu4 Cu5 Cu1 55.75(2) . . ?
Cu4 Cu5 Cu2 70.56(2) . . ?
Cu4 Cu5 HB 44(2) . . ?
Cu4 Cu5 HE 110(3) . . ?
Cu4 Cu5 Cu6 113.00(3) . 2_666 ?
Cu4 Cu5 Cu10 129.72(3) . . ?
Cu6 Cu5 Cu1 59.23(2) 2_666 . ?
Cu6 Cu5 HB 124(3) 2_666 . ?
Cu6 Cu5 HE 37(3) 2_666 . ?
Cu10 Cu5 Cu1 88.44(2) . . ?
Cu10 Cu5 HB 95(2) . . ?
Cu10 Cu5 HE 91(3) . . ?
Cu10 Cu5 Cu6 59.35(2) . 2_666 ?
O Cu5 Cu1 175.34(11) . . ?
O Cu5 Cu2 116.00(12) . . ?
O Cu5 HB 108(3) . . ?
O Cu5 Cu3 128.74(11) . . ?
O Cu5 HE 105(3) . . ?
O Cu5 Cu4 127.23(11) . . ?
O Cu5 Cu6 118.80(11) . 2_666 ?
O Cu5 Cu10 86.99(11) . . ?
Cu1 Cu6 Cu1 52.41(2) 2_666 . ?
Cu1 Cu6 HH 35.1(19) . . ?
Cu1 Cu6 HH 41(2) 2_666 . ?
Cu1 Cu6 Cu3 52.845(19) 2_666 2_666 ?
Cu1 Cu6 Cu3 105.20(2) . 2_666 ?
Cu1 Cu6 HF 130(2) . . ?
Cu1 Cu6 HF 130(2) 2_666 . ?
Cu1 Cu6 Cu9 52.815(19) . 2_666 ?
Cu1 Cu6 Cu9 105.08(2) 2_666 2_666 ?
Cu1 Cu6 Cu11 105.30(3) 2_666 . ?
Cu1 Cu6 Cu11 103.65(3) . . ?
HH Cu6 HF 107(3) . . ?
Cu3 Cu6 HH 86(2) 2_666 . ?
Cu3 Cu6 HF 100(2) 2_666 . ?
Cu3 Cu6 Cu9 157.03(3) 2_666 2_666 ?
Cu5 Cu6 Cu1 63.56(2) 2_666 2_666 ?
Cu5 Cu6 Cu1 90.18(2) 2_666 . ?
Cu5 Cu6 HH 102(2) 2_666 . ?
Cu5 Cu6 Cu3 54.522(19) 2_666 2_666 ?
Cu5 Cu6 HF 139(2) 2_666 . ?
Cu5 Cu6 Cu9 113.15(3) 2_666 2_666 ?
Cu5 Cu6 Cu11 151.29(3) 2_666 . ?
Cu9 Cu6 HH 78.0(19) 2_666 . ?
Cu9 Cu6 HF 100(2) 2_666 . ?
Cu10 Cu6 Cu1 65.72(2) 2_666 . ?
Cu10 Cu6 Cu1 91.23(2) 2_666 2_666 ?
Cu10 Cu6 HH 100(2) 2_666 . ?
Cu10 Cu6 Cu3 113.76(3) 2_666 2_666 ?
Cu10 Cu6 Cu5 59.89(2) 2_666 2_666 ?
Cu10 Cu6 HF 138(2) 2_666 . ?
Cu10 Cu6 Cu9 54.60(2) 2_666 2_666 ?
Cu10 Cu6 Cu11 148.81(3) 2_666 . ?
Cu11 Cu6 HH 78(2) . . ?
Cu11 Cu6 Cu3 97.20(2) . 2_666 ?
Cu11 Cu6 HF 29(2) . . ?
Cu11 Cu6 Cu9 95.07(2) . 2_666 ?
Cu12 Cu6 Cu1 104.39(3) . . ?
Cu12 Cu6 Cu1 151.15(3) . 2_666 ?
Cu12 Cu6 HH 110(2) . . ?
Cu12 Cu6 Cu3 146.09(3) . 2_666 ?
Cu12 Cu6 Cu5 141.22(3) . 2_666 ?
Cu12 Cu6 HF 47(2) . . ?
Cu12 Cu6 Cu9 56.40(2) . 2_666 ?
Cu12 Cu6 Cu10 93.35(3) . 2_666 ?
Cu12 Cu6 Cu11 59.71(2) . . ?
Cu12 Cu6 Cu14 88.44(3) . . ?
Cu14 Cu6 Cu1 105.39(3) . 2_666 ?
Cu14 Cu6 Cu1 150.35(3) . . ?
Cu14 Cu6 HH 115.5(19) . . ?
Cu14 Cu6 Cu3 57.70(2) . 2_666 ?
Cu14 Cu6 Cu5 96.30(3) . 2_666 ?
Cu14 Cu6 HF 46(2) . . ?
Cu14 Cu6 Cu9 144.65(3) . 2_666 ?
Cu14 Cu6 Cu10 141.27(3) . 2_666 ?
Cu14 Cu6 Cu11 59.70(3) . . ?
Cu1 Cu7 Cu2 61.03(2) 2_666 . ?
Cu1 Cu7 HC 86.3(17) 2_666 . ?
Cu1 Cu7 Cu3 57.31(2) 2_666 2_666 ?
Cu1 Cu7 Cu9 57.80(2) 2_666 . ?
Cu1 Cu7 Cu10 69.26(2) 2_666 . ?
Cu1 Cu7 Cu13 109.51(3) 2_666 . ?
Cu2 Cu7 HC 37.8(18) . . ?
Cu3 Cu7 Cu2 95.22(2) 2_666 . ?
Cu3 Cu7 HC 132.8(18) 2_666 . ?
Cu3 Cu7 Cu9 89.01(3) 2_666 . ?
Cu9 Cu7 Cu2 102.04(2) . . ?
Cu9 Cu7 HC 96.0(17) . . ?
Cu10 Cu7 Cu2 58.18(2) . . ?
Cu10 Cu7 HC 37.7(17) . . ?
Cu10 Cu7 Cu3 126.50(3) . 2_666 ?
Cu10 Cu7 Cu9 58.32(2) . . ?
Cu10 Cu7 Cu13 98.70(3) . . ?
Cu13 Cu7 Cu2 55.46(2) . . ?
Cu13 Cu7 HC 61.1(17) . . ?
Cu13 Cu7 Cu3 100.95(3) . 2_666 ?
Cu13 Cu7 Cu9 155.79(3) . . ?
S2 Cu7 Cu1 100.32(3) . 2_666 ?
S2 Cu7 Cu2 88.80(3) . . ?
S2 Cu7 HC 112.7(18) . . ?
S2 Cu7 Cu3 54.90(3) . 2_666 ?
S2 Cu7 Cu9 143.35(4) . . ?
S2 Cu7 Cu10 146.66(4) . . ?
S2 Cu7 Cu13 53.63(3) . . ?
O1AA Cu7 Cu1 141.47(10) . 2_666 ?
O1AA Cu7 Cu2 144.83(11) . . ?
O1AA Cu7 HC 107.6(18) . . ?
O1AA Cu7 Cu3 119.58(11) . 2_666 ?
O1AA Cu7 Cu9 84.64(10) . . ?
O1AA Cu7 Cu10 99.76(11) . . ?
O1AA Cu7 Cu13 108.63(10) . . ?
O1AA Cu7 S2 106.41(11) . . ?
Cu2 Cu8 HB 39(2) . . ?
Cu2 Cu8 HD 40.2(18) . . ?
Cu2 Cu8 Cu4 70.55(2) . . ?
Cu2 Cu8 Cu11 64.63(2) . . ?
HB Cu8 HD 78(3) . . ?
Cu4 Cu8 HB 43(2) . . ?
Cu4 Cu8 HD 109.0(18) . . ?
Cu4 Cu8 Cu11 105.64(3) . . ?
Cu11 Cu8 HB 100(3) . . ?
Cu11 Cu8 HD 41.4(19) . . ?
S1 Cu8 Cu2 98.39(3) . . ?
S1 Cu8 HB 94(3) . . ?
S1 Cu8 HD 110.9(19) . . ?
S1 Cu8 Cu4 56.49(3) . . ?
S1 Cu8 Cu11 75.09(3) . . ?
P4 Cu8 Cu2 129.45(4) . . ?
P4 Cu8 HB 125(3) . . ?
P4 Cu8 HD 105.0(19) . . ?
P4 Cu8 Cu4 136.21(4) . . ?
P4 Cu8 Cu11 118.11(4) . . ?
P4 Cu8 S1 131.98(4) . . ?
Cu1 Cu9 Cu4 58.57(2) 2_666 2_666 ?
Cu1 Cu9 Cu6 59.08(2) 2_666 2_666 ?
Cu1 Cu9 HG 85(3) 2_666 . ?
Cu1 Cu9 Cu7 57.83(2) 2_666 . ?
Cu1 Cu9 Cu10 69.29(2) 2_666 . ?
Cu1 Cu9 Cu12 107.59(3) 2_666 2_666 ?
Cu4 Cu9 Cu6 94.70(2) 2_666 2_666 ?
Cu4 Cu9 HG 129(3) 2_666 . ?
Cu4 Cu9 Cu7 91.26(3) 2_666 . ?
Cu6 Cu9 HG 35(3) 2_666 . ?
Cu7 Cu9 Cu6 99.37(2) . 2_666 ?
Cu7 Cu9 HG 98(3) . . ?
Cu10 Cu9 Cu4 127.87(3) . 2_666 ?
Cu10 Cu9 Cu6 56.10(2) . 2_666 ?
Cu10 Cu9 HG 40(3) . . ?
Cu10 Cu9 Cu7 58.37(2) . . ?
Cu10 Cu9 Cu12 92.43(3) . 2_666 ?
Cu12 Cu9 Cu4 103.00(3) 2_666 2_666 ?
Cu12 Cu9 Cu6 53.63(2) 2_666 2_666 ?
Cu12 Cu9 HG 52(3) 2_666 . ?
Cu12 Cu9 Cu7 149.86(3) 2_666 . ?
S1 Cu9 Cu1 99.68(3) 2_666 2_666 ?
S1 Cu9 Cu4 55.53(3) 2_666 2_666 ?
S1 Cu9 Cu6 86.16(3) 2_666 2_666 ?
S1 Cu9 HG 104(3) 2_666 . ?
S1 Cu9 Cu7 146.75(4) 2_666 . ?
S1 Cu9 Cu10 141.46(4) 2_666 . ?
S1 Cu9 Cu12 54.57(3) 2_666 2_666 ?
O2AA Cu9 Cu1 139.64(11) . 2_666 ?
O2AA Cu9 Cu4 123.40(13) . 2_666 ?
O2AA Cu9 Cu6 141.89(13) . 2_666 ?
O2AA Cu9 HG 107(3) . . ?
O2AA Cu9 Cu7 82.15(11) . . ?
O2AA Cu9 Cu10 95.47(11) . . ?
O2AA Cu9 Cu12 110.29(13) . 2_666 ?
O2AA Cu9 S1 113.29(10) . 2_666 ?
Cu1 Cu10 HC 75.2(18) 2_666 . ?
Cu1 Cu10 HG 73(3) 2_666 . ?
Cu2 Cu10 Cu1 59.24(2) . 2_666 ?
Cu2 Cu10 HC 43.5(17) . . ?
Cu2 Cu10 HG 129(3) . . ?
HC Cu10 HG 141(3) . . ?
Cu5 Cu10 Cu1 86.94(2) . 2_666 ?
Cu5 Cu10 Cu2 59.39(2) . . ?
Cu5 Cu10 HC 99.0(17) . . ?
Cu5 Cu10 HG 102(3) . . ?
Cu6 Cu10 Cu1 58.96(2) 2_666 2_666 ?
Cu6 Cu10 Cu2 91.54(3) 2_666 . ?
Cu6 Cu10 HC 129.3(18) 2_666 . ?
Cu6 Cu10 Cu5 60.76(2) 2_666 . ?
Cu6 Cu10 HG 45(3) 2_666 . ?
Cu7 Cu10 Cu1 54.75(2) . 2_666 ?
Cu7 Cu10 Cu2 66.39(2) . . ?
Cu7 Cu10 HC 38.9(17) . . ?
Cu7 Cu10 Cu5 124.58(3) . . ?
Cu7 Cu10 Cu6 112.30(3) . 2_666 ?
Cu7 Cu10 HG 102(3) . . ?
Cu9 Cu10 Cu1 54.74(2) . 2_666 ?
Cu9 Cu10 Cu2 111.69(3) . . ?
Cu9 Cu10 HC 102.2(18) . . ?
Cu9 Cu10 Cu5 128.24(3) . . ?
Cu9 Cu10 Cu6 69.30(2) . 2_666 ?
Cu9 Cu10 HG 39(3) . . ?
Cu9 Cu10 Cu7 63.31(2) . . ?
O3AA Cu10 Cu1 168.29(11) . 2_666 ?
O3AA Cu10 Cu2 116.64(12) . . ?
O3AA Cu10 HC 109.8(18) . . ?
O3AA Cu10 Cu5 81.84(11) . . ?
O3AA Cu10 Cu6 111.91(11) . 2_666 ?
O3AA Cu10 HG 106(3) . . ?
O3AA Cu10 Cu7 135.56(11) . . ?
O3AA Cu10 Cu9 131.52(12) . . ?
Cu2 Cu11 HD 33.9(19) . . ?
Cu2 Cu11 Cu6 68.23(2) . . ?
Cu2 Cu11 HF 101(2) . . ?
HD Cu11 HF 135(3) . . ?
Cu6 Cu11 HD 102.2(19) . . ?
Cu6 Cu11 HF 33(2) . . ?
Cu8 Cu11 Cu2 55.45(2) . . ?
Cu8 Cu11 HD 41.9(18) . . ?
Cu8 Cu11 Cu6 104.36(3) . . ?
Cu8 Cu11 HF 128(2) . . ?
Cu12 Cu11 Cu2 104.33(3) . . ?
Cu12 Cu11 HD 127.6(18) . . ?
Cu12 Cu11 Cu6 54.64(2) . . ?
Cu12 Cu11 HF 43(2) . . ?
Cu12 Cu11 Cu8 94.06(3) . . ?
Cu12 Cu11 Cu14 82.50(3) . . ?
Cu13 Cu11 Cu2 56.21(2) . . ?
Cu13 Cu11 HD 43.8(18) . . ?
Cu13 Cu11 Cu6 102.88(3) . . ?
Cu13 Cu11 HF 123(2) . . ?
Cu13 Cu11 Cu8 84.96(3) . . ?
Cu13 Cu11 Cu12 156.58(3) . . ?
Cu13 Cu11 Cu14 89.06(3) . . ?
Cu14 Cu11 Cu2 102.56(3) . . ?
Cu14 Cu11 HD 125.0(18) . . ?
Cu14 Cu11 Cu6 54.79(2) . . ?
Cu14 Cu11 HF 41(2) . . ?
Cu14 Cu11 Cu8 156.32(3) . . ?
Cl1 Cu11 Cu2 144.01(5) . . ?
Cl1 Cu11 HD 110.5(19) . . ?
Cl1 Cu11 Cu6 146.53(5) . . ?
Cl1 Cu11 HF 114(2) . . ?
Cl1 Cu11 Cu8 104.75(5) . . ?
Cl1 Cu11 Cu12 107.03(5) . . ?
Cl1 Cu11 Cu13 95.79(5) . . ?
Cl1 Cu11 Cu14 98.62(5) . . ?
Cu6 Cu12 HF 44(2) . . ?
Cu6 Cu12 Cu9 69.97(2) . 2_666 ?
Cu6 Cu12 Cu11 65.66(2) . . ?
Cu9 Cu12 HF 109(2) 2_666 . ?
Cu9 Cu12 Cu11 107.23(3) 2_666 . ?
Cu11 Cu12 HF 35(2) . . ?
S1 Cu12 Cu6 99.02(3) . . ?
S1 Cu12 HF 105(2) . . ?
S1 Cu12 Cu9 58.26(3) . 2_666 ?
S1 Cu12 Cu11 75.41(3) . . ?
P1 Cu12 Cu6 129.35(11) . . ?
P1 Cu12 HF 118(2) . . ?
P1 Cu12 Cu9 120.98(11) . 2_666 ?
P1 Cu12 Cu11 131.79(11) . . ?
P1 Cu12 S1 129.79(10) . . ?
P1A Cu12 Cu6 131.59(7) . . ?
P1A Cu12 HF 108(2) . . ?
P1A Cu12 Cu9 137.38(8) . 2_666 ?
P1A Cu12 Cu11 115.21(8) . . ?
P1A Cu12 S1 128.90(7) . . ?
P1A Cu12 P1 16.97(8) . . ?
Cu2 Cu13 HD 39.9(18) . . ?
Cu2 Cu13 Cu7 66.74(2) . . ?
Cu2 Cu13 Cu11 65.07(2) . . ?
Cu7 Cu13 HD 106.1(18) . . ?
Cu7 Cu13 Cu11 108.16(3) . . ?
Cu11 Cu13 HD 42.5(19) . . ?
S2 Cu13 Cu2 99.11(3) . . ?
S2 Cu13 HD 116.5(19) . . ?
S2 Cu13 Cu7 57.73(3) . . ?
S2 Cu13 Cu11 81.51(4) . . ?
P3 Cu13 Cu2 121.29(4) . . ?
P3 Cu13 HD 106.9(19) . . ?
P3 Cu13 Cu7 119.68(4) . . ?
P3 Cu13 Cu11 130.11(4) . . ?
P3 Cu13 S2 135.52(5) . . ?
Cu3 Cu14 HF 108(2) 2_666 . ?
Cu3 Cu14 Cu11 107.67(3) 2_666 . ?
Cu6 Cu14 Cu3 68.23(2) . 2_666 ?
Cu6 Cu14 HF 43(2) . . ?
Cu6 Cu14 Cu11 65.51(2) . . ?
Cu11 Cu14 HF 34(2) . . ?
S2 Cu14 Cu3 56.39(3) . 2_666 ?
S2 Cu14 Cu6 99.28(4) . . ?
S2 Cu14 HF 109(2) . . ?
S2 Cu14 Cu11 80.25(4) . . ?
P2 Cu14 Cu3 129.46(6) . 2_666 ?
P2 Cu14 Cu6 126.72(5) . . ?
P2 Cu14 HF 110(2) . . ?
P2 Cu14 Cu11 122.58(6) . . ?
P2 Cu14 S2 133.35(5) . . ?
Cu4 S1 Cu9 67.08(3) . 2_666 ?
Cu8 S1 Cu4 68.24(3) . . ?
Cu8 S1 Cu9 124.10(4) . 2_666 ?
Cu12 S1 Cu4 123.20(4) . . ?
Cu12 S1 Cu8 115.32(4) . . ?
Cu12 S1 Cu9 67.16(3) . 2_666 ?
C11 S1 Cu4 113.63(14) . . ?
C11 S1 Cu8 116.34(14) . . ?
C11 S1 Cu9 111.30(13) . 2_666 ?
C11 S1 Cu12 113.08(15) . . ?
Cu3 S2 Cu7 68.92(3) 2_666 . ?
Cu13 S2 Cu3 124.70(5) . 2_666 ?
Cu13 S2 Cu7 68.64(4) . . ?
Cu13 S2 Cu14 109.12(5) . . ?
Cu14 S2 Cu3 69.29(4) . 2_666 ?
Cu14 S2 Cu7 123.82(5) . . ?
C1 S2 Cu3 113.70(14) . 2_666 ?
C1 S2 Cu7 113.84(16) . . ?
C1 S2 Cu13 114.96(16) . . ?
C1 S2 Cu14 116.45(17) . . ?
Cu12 P1 C33A 92.9(3) . . ?
P1A P1 Cu12 71.6(4) . . ?
P1A P1 C21 167.2(9) . . ?
P1A P1 C21A 141.3(7) . . ?
P1A P1 C26A 173.6(6) . . ?
P1A P1 C27 67.2(6) . . ?
P1A P1 C27A 55.6(5) . . ?
P1A P1 C33 70.3(6) . . ?
P1A P1 C33A 39.4(5) . . ?
C21 P1 Cu12 121.1(7) . . ?
C21 P1 C26A 15.8(7) . . ?
C21 P1 C27 106.0(8) . . ?
C21 P1 C27A 119.0(8) . . ?
C21 P1 C33 102.0(9) . . ?
C21 P1 C33A 132.1(8) . . ?
C21A P1 Cu12 140.1(5) . . ?
C21A P1 C21 27.0(8) . . ?
C21A P1 C26A 38.6(6) . . ?
C21A P1 C27 102.3(6) . . ?
C21A P1 C27A 116.3(5) . . ?
C21A P1 C33 76.7(6) . . ?
C21A P1 C33A 105.6(6) . . ?
C26A P1 Cu12 105.7(4) . . ?
C26A P1 C27A 130.8(5) . . ?
C26A P1 C33A 136.5(5) . . ?
C27 P1 Cu12 114.1(5) . . ?
C27 P1 C26A 119.0(6) . . ?
C27 P1 C27A 14.1(5) . . ?
C27 P1 C33A 86.1(5) . . ?
C27A P1 Cu12 101.1(4) . . ?
C27A P1 C33A 81.1(4) . . ?
C33 P1 Cu12 108.7(4) . . ?
C33 P1 C26A 105.7(6) . . ?
C33 P1 C27 102.9(7) . . ?
C33 P1 C27A 103.6(6) . . ?
C33 P1 C33A 30.9(5) . . ?
Cu12 P1A C28 103.5(5) . . ?
P1 P1A Cu12 91.4(5) . . ?
P1 P1A C21A 25.1(5) . . ?
P1 P1A C27 91.6(7) . . ?
P1 P1A C27A 106.7(6) . . ?
P1 P1A C28 117.6(6) . . ?
P1 P1A C33 88.2(7) . . ?
P1 P1A C33A 127.4(6) . . ?
C21A P1A Cu12 113.3(3) . . ?
C21A P1A C27A 105.2(4) . . ?
C21A P1A C28 120.0(6) . . ?
C21A P1A C33A 105.4(4) . . ?
C27 P1A Cu12 127.3(5) . . ?
C27 P1A C21A 87.6(6) . . ?
C27 P1A C27A 17.6(5) . . ?
C27 P1A C28 33.1(6) . . ?
C27 P1A C33 114.1(7) . . ?
C27 P1A C33A 107.4(6) . . ?
C27A P1A Cu12 116.5(4) . . ?
C27A P1A C28 15.7(5) . . ?
C27A P1A C33A 103.6(5) . . ?
C33 P1A Cu12 118.6(5) . . ?
C33 P1A C21A 67.4(5) . . ?
C33 P1A C27A 122.3(6) . . ?
C33 P1A C28 130.2(7) . . ?
C33 P1A C33A 39.2(5) . . ?
C33A P1A Cu12 111.9(3) . . ?
C33A P1A C28 102.3(5) . . ?
C34 P2 Cu14 107.9(4) . . ?
C34A P2 Cu14 113.6(3) . . ?
C34A P2 C34 36.7(5) . . ?
C34A P2 C35 115.4(3) . . ?
C34A P2 C41 64.7(4) . . ?
C34A P2 C41A 101.4(4) . . ?
C35 P2 Cu14 118.54(19) . . ?
C35 P2 C34 91.2(5) . . ?
C35 P2 C41A 102.0(3) . . ?
C41 P2 Cu14 132.2(3) . . ?
C41 P2 C34 95.5(5) . . ?
C41 P2 C35 101.5(4) . . ?
C41 P2 C41A 40.8(4) . . ?
C41A P2 Cu14 102.3(3) . . ?
C41A P2 C34 135.9(5) . . ?
C60 P3 Cu13 110.42(16) . . ?
C61 P3 Cu13 119.20(17) . . ?
C61 P3 C60 104.7(2) . . ?
C67 P3 Cu13 112.41(16) . . ?
C67 P3 C60 103.8(2) . . ?
C67 P3 C61 104.9(2) . . ?
C52 P4 Cu8 116.64(16) . . ?
C52 P4 C59 102.9(2) . . ?
C58 P4 Cu8 117.31(15) . . ?
C58 P4 C52 104.8(2) . . ?
C58 P4 C59 103.5(2) . . ?
C59 P4 Cu8 110.04(15) . . ?
C75 O Cu5 118.3(4) . . ?
C73 O1AA Cu7 122.0(3) . . ?
C73 O2AA Cu9 124.7(3) . . ?
C75 O3AA Cu10 125.2(3) . . ?
C77 O5AA Cu4 122.4(3) . . ?
C77 O6 Cu3 124.5(3) . . ?
C2 C1 S2 119.9(4) . . ?
C2 C1 C6 120.3(4) . . ?
C6 C1 S2 119.8(4) . . ?
C1 C2 H2 119.8 . . ?
C1 C2 C3 120.4(6) . . ?
C3 C2 H2 119.8 . . ?
C2 C3 H3 119.4 . . ?
C2 C3 C4 121.2(6) . . ?
C4 C3 H3 119.4 . . ?
C3 C4 C5 117.1(5) . . ?
C3 C4 C7 123.1(6) . . ?
C5 C4 C7 119.7(7) . . ?
C4 C5 H5 119.1 . . ?
C4 C5 C6 121.8(6) . . ?
C6 C5 H5 119.1 . . ?
C1 C6 C5 118.9(6) . . ?
C1 C6 H6 120.5 . . ?
C5 C6 H6 120.5 . . ?
C4 C7 C9 111.3(7) . . ?
C4 C7 C10A 105.2(13) . . ?
C8 C7 C4 107.7(7) . . ?
C8 C7 C9 107.7(11) . . ?
C8A C7 C4 111.3(15) . . ?
C8A C7 C9A 112(2) . . ?
C8A C7 C10A 119(2) . . ?
C9A C7 C4 106.7(11) . . ?
C9A C7 C10A 101.2(11) . . ?
C10 C7 C4 114.6(9) . . ?
C10 C7 C8 108.8(11) . . ?
C10 C7 C9 106.5(9) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C8A H8AA 109.5 . . ?
C7 C8A H8AB 109.5 . . ?
C7 C8A H8AC 109.5 . . ?
H8AA C8A H8AB 109.5 . . ?
H8AA C8A H8AC 109.5 . . ?
H8AB C8A H8AC 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C9A H9AA 109.5 . . ?
C7 C9A H9AB 109.5 . . ?
C7 C9A H9AC 109.5 . . ?
H9AA C9A H9AB 109.5 . . ?
H9AA C9A H9AC 109.5 . . ?
H9AB C9A H9AC 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C7 C10A H10D 109.5 . . ?
C7 C10A H10E 109.5 . . ?
C7 C10A H10F 109.5 . . ?
H10D C10A H10E 109.5 . . ?
H10D C10A H10F 109.5 . . ?
H10E C10A H10F 109.5 . . ?
C12 C11 S1 120.9(3) . . ?
C12 C11 C16 118.0(4) . . ?
C12A C11 S1 120.1(8) . . ?
C16 C11 S1 121.1(3) . . ?
C16A C11 S1 119.6(9) . . ?
C16A C11 C12A 120.2(12) . . ?
C11 C12 H12 119.3 . . ?
C11 C12 C13 121.3(5) . . ?
C13 C12 H12 119.3 . . ?
C11 C12A H12A 121.4 . . ?
C11 C12A C13A 117.3(16) . . ?
C13A C12A H12A 121.4 . . ?
C12 C13 H13 119.7 . . ?
C12 C13 C14 120.6(5) . . ?
C14 C13 H13 119.7 . . ?
C12A C13A H13A 118.1 . . ?
C14 C13A C12A 123.9(16) . . ?
C14 C13A H13A 118.1 . . ?
C13 C14 C17 120.3(4) . . ?
C13A C14 C15A 114.2(12) . . ?
C13A C14 C17 120.8(10) . . ?
C15 C14 C13 118.6(4) . . ?
C15 C14 C17 121.2(4) . . ?
C15A C14 C17 124.5(9) . . ?
C14 C15 H15 119.7 . . ?
C14 C15 C16 120.6(5) . . ?
C16 C15 H15 119.7 . . ?
C14 C15A H15A 118.4 . . ?
C14 C15A C16A 123.3(17) . . ?
C16A C15A H15A 118.4 . . ?
C11 C16 C15 120.8(5) . . ?
C11 C16 H16 119.6 . . ?
C15 C16 H16 119.6 . . ?
C11 C16A C15A 119.5(17) . . ?
C11 C16A H16A 120.3 . . ?
C15A C16A H16A 120.3 . . ?
C14 C17 C18A 107.1(8) . . ?
C14 C17 C19 110.1(8) . . ?
C14 C17 C19A 106.5(10) . . ?
C14 C17 C20A 104.5(9) . . ?
C18 C17 C14 114.3(6) . . ?
C18 C17 C19 92.5(8) . . ?
C18A C17 C19A 135.9(11) . . ?
C20 C17 C14 113.3(7) . . ?
C20 C17 C18 118.4(10) . . ?
C20 C17 C19 105.5(9) . . ?
C20A C17 C18A 90.9(13) . . ?
C20A C17 C19A 107.4(12) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C18A H18D 109.5 . . ?
C17 C18A H18E 109.5 . . ?
C17 C18A H18F 109.5 . . ?
H18D C18A H18E 109.5 . . ?
H18D C18A H18F 109.5 . . ?
H18E C18A H18F 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C19A H19D 109.5 . . ?
C17 C19A H19E 109.5 . . ?
C17 C19A H19F 109.5 . . ?
H19D C19A H19E 109.5 . . ?
H19D C19A H19F 109.5 . . ?
H19E C19A H19F 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C17 C20A H20D 109.5 . . ?
C17 C20A H20E 109.5 . . ?
C17 C20A H20F 109.5 . . ?
H20D C20A H20E 109.5 . . ?
H20D C20A H20F 109.5 . . ?
H20E C20A H20F 109.5 . . ?
P1 C21 C22A 82.9(13) . . ?
C21A C21 P1 38.5(10) . . ?
C21A C21 C22 86.6(18) . . ?
C21A C21 C22A 45.5(12) . . ?
C21A C21 C25A 142(2) . . ?
C21A C21 C26 153(2) . . ?
C22 C21 P1 125(2) . . ?
C22 C21 C22A 42.6(10) . . ?
C22 C21 C25A 63.0(13) . . ?
C25A C21 P1 161.0(14) . . ?
C25A C21 C22A 105.0(10) . . ?
C26 C21 P1 118.0(13) . . ?
C26 C21 C22 116(2) . . ?
C26 C21 C22A 158.2(17) . . ?
C26 C21 C25A 53.2(13) . . ?
C26A C21 P1 108(3) . . ?
C26A C21 C21A 127(4) . . ?
C26A C21 C22 110(3) . . ?
C26A C21 C22A 139(3) . . ?
C26A C21 C25A 55(3) . . ?
C26A C21 C26 33(3) . . ?
P1 C21A P1A 13.5(3) . . ?
P1 C21A C22 173.2(10) . . ?
P1 C21A C22A 135.0(9) . . ?
P1 C21A C26A 106.5(8) . . ?
P1 C21A C33 65.9(6) . . ?
P1A C21A C33 54.6(5) . . ?
C21 C21A P1 114.5(14) . . ?
C21 C21A P1A 127.8(14) . . ?
C21 C21A C22 59.8(10) . . ?
C21 C21A C22A 107.4(14) . . ?
C21 C21A C26A 20.7(15) . . ?
C21 C21A C33 160.3(17) . . ?
C22 C21A P1A 170.4(10) . . ?
C22 C21A C33 120.8(9) . . ?
C22A C21A P1A 121.8(8) . . ?
C22A C21A C22 49.1(9) . . ?
C22A C21A C33 80.3(7) . . ?
C26A C21A P1A 119.8(7) . . ?
C26A C21A C22 69.4(11) . . ?
C26A C21A C22A 118.4(10) . . ?
C26A C21A C33 140.0(8) . . ?
C21 C22 C21A 33.6(12) . . ?
C21 C22 H22 121.6 . . ?
C21 C22 C24A 117(2) . . ?
C21 C22 C25A 67.2(15) . . ?
C21 C22 C26A 19.1(11) . . ?
C21A C22 H22 89.5 . . ?
C21A C22 C25A 98.3(11) . . ?
C21A C22 C26A 47.5(7) . . ?
C22A C22 C21 89.3(16) . . ?
C22A C22 C21A 56.7(7) . . ?
C22A C22 H22 32.8 . . ?
C22A C22 C24A 153(2) . . ?
C22A C22 C25A 154.5(13) . . ?
C22A C22 C26A 104.1(11) . . ?
C23 C22 C21 122(2) . . ?
C23 C22 C21A 154.8(17) . . ?
C23 C22 H22 115.6 . . ?
C23 C22 C22A 148.4(18) . . ?
C23 C22 C24A 10.0(18) . . ?
C23 C22 C25A 56.5(9) . . ?
C23 C22 C26A 107.3(14) . . ?
C23A C22 C21 164(2) . . ?
C23A C22 C21A 132.0(18) . . ?
C23A C22 H22 42.7 . . ?
C23A C22 C22A 75.4(16) . . ?
C23A C22 C23 73.0(11) . . ?
C23A C22 C24A 79.0(14) . . ?
C23A C22 C25A 128.7(15) . . ?
C23A C22 C26A 173.2(17) . . ?
C24A C22 C21A 147.3(19) . . ?
C24A C22 H22 121.6 . . ?
C24A C22 C25A 49.7(14) . . ?
C24A C22 C26A 100.3(17) . . ?
C25A C22 H22 170.4 . . ?
C25A C22 C26A 50.8(7) . . ?
C26A C22 H22 136.9 . . ?
C21 C22A H22A 145.3 . . ?
C21A C22A C21 27.1(7) . . ?
C21A C22A H22A 120.1 . . ?
C21A C22A C23A 119.8(10) . . ?
C22 C22A C21 48.1(9) . . ?
C22 C22A C21A 74.2(10) . . ?
C22 C22A H22A 165.5 . . ?
C22 C22A C23A 45.7(9) . . ?
C23A C22A C21 93.8(10) . . ?
C23A C22A H22A 120.1 . . ?
C22 C23 H23 163.9 . . ?
C22 C23 C23A 46.8(11) . . ?
C22 C23 C24 124.4(13) . . ?
C22 C23 C25A 74.9(12) . . ?
C23A C23 H23 119.5 . . ?
C23A C23 C24 171.1(13) . . ?
C23A C23 C25A 121.1(13) . . ?
C24 C23 H23 69.1 . . ?
C25A C23 H23 119.5 . . ?
C25A C23 C24 50.5(8) . . ?
C22 C23A C22A 58.9(11) . . ?
C22 C23A C23 60.3(15) . . ?
C22 C23A H23A 179.1 . . ?
C22 C23A C24A 59.9(11) . . ?
C22A C23A H23A 120.4 . . ?
C22A C23A C24A 118.4(12) . . ?
C23 C23A C22A 119.1(11) . . ?
C23 C23A H23A 120.4 . . ?
C23 C23A C24A 7.1(18) . . ?
C24A C23A H23A 120.7 . . ?
C23 C24 H24 123.5 . . ?
C24A C24 C23 8.2(19) . . ?
C24A C24 H24 123.5 . . ?
C25 C24 C23 112.4(15) . . ?
C25 C24 H24 123.5 . . ?
C25 C24 C24A 112.9(19) . . ?
C25A C24 C23 58.7(10) . . ?
C25A C24 H24 174.8 . . ?
C25A C24 C24A 57.8(16) . . ?
C25A C24 C25 55.5(11) . . ?
C22 C24A C23A 41.0(9) . . ?
C22 C24A H24A 116.4 . . ?
C23A C24A H24A 77.4 . . ?
C24 C24A C22 127(2) . . ?
C24 C24A C23A 161(2) . . ?
C24 C24A H24A 116.4 . . ?
C25A C24A C22 74.5(16) . . ?
C25A C24A C23A 115.5(14) . . ?
C25A C24A C24 56.4(14) . . ?
C25A C24A H24A 157.3 . . ?
C24 C25 H25 120.3 . . ?
C24 C25 C26 119.4(18) . . ?
C25A C25 C24 57.3(12) . . ?
C25A C25 H25 167.1 . . ?
C25A C25 C26 63.6(12) . . ?
C26 C25 H25 120.3 . . ?
C21 C25A H25A 139.6 . . ?
C22 C25A C21 49.8(7) . . ?
C22 C25A H25A 170.6 . . ?
C23 C25A C21 97.4(11) . . ?
C23 C25A C22 48.6(10) . . ?
C23 C25A H25A 122.3 . . ?
C23 C25A C26A 115.5(12) . . ?
C24 C25A C21 155.6(14) . . ?
C24 C25A C22 118.6(12) . . ?
C24 C25A C23 70.9(12) . . ?
C24 C25A C24A 65.9(9) . . ?
C24 C25A H25A 53.1 . . ?
C24 C25A C26 128.9(14) . . ?
C24 C25A C26A 165.8(13) . . ?
C24A C25A C21 105.5(12) . . ?
C24A C25A C22 55.8(8) . . ?
C24A C25A C23 10.2(16) . . ?
C24A C25A H25A 114.8 . . ?
C24A C25A C26 155.3(16) . . ?
C24A C25A C26A 122.4(13) . . ?
C25 C25A C21 114.5(12) . . ?
C25 C25A C22 156.0(14) . . ?
C25 C25A C23 135.1(12) . . ?
C25 C25A C24 67.2(9) . . ?
C25 C25A C24A 132.6(13) . . ?
C25 C25A H25A 30.2 . . ?
C25 C25A C26 63.6(9) . . ?
C25 C25A C26A 102.4(10) . . ?
C26 C25A C21 52.2(11) . . ?
C26 C25A C22 101.7(11) . . ?
C26 C25A C23 145.3(13) . . ?
C26 C25A H25A 87.6 . . ?
C26 C25A C26A 39.0(8) . . ?
C26A C25A C21 19.7(7) . . ?
C26A C25A C22 66.9(9) . . ?
C26A C25A H25A 122.3 . . ?
C21 C26 C25 125.7(19) . . ?
C21 C26 C25A 74.6(15) . . ?
C21 C26 H26 117.2 . . ?
C25 C26 C25A 52.7(11) . . ?
C25 C26 H26 117.2 . . ?
C25A C26 H26 162.7 . . ?
C26A C26 C21 19.9(13) . . ?
C26A C26 C25 125(2) . . ?
C26A C26 C25A 72.1(16) . . ?
C26A C26 H26 114.2 . . ?
P1 C26A H26A 82.5 . . ?
C21 C26A P1 56(3) . . ?
C21 C26A C21A 32(3) . . ?
C21 C26A C22 51(2) . . ?
C21 C26A C25A 106(3) . . ?
C21 C26A C26 127(4) . . ?
C21 C26A H26A 128.7 . . ?
C21A C26A P1 34.9(5) . . ?
C21A C26A C22 63.1(9) . . ?
C21A C26A C25A 125.3(11) . . ?
C21A C26A H26A 117.3 . . ?
C22 C26A P1 97.8(9) . . ?
C22 C26A H26A 178.3 . . ?
C25A C26A P1 160.0(10) . . ?
C25A C26A C22 62.2(8) . . ?
C25A C26A H26A 117.3 . . ?
C26 C26A P1 127.2(14) . . ?
C26 C26A C21A 152.6(16) . . ?
C26 C26A C22 123.8(15) . . ?
C26 C26A C25A 68.9(14) . . ?
C26 C26A H26A 54.9 . . ?
P1 C27 C28A 115.2(7) . . ?
P1A C27 P1 21.3(2) . . ?
P1A C27 C28A 97.3(7) . . ?
C27A C27 P1 111(2) . . ?
C27A C27 P1A 93(2) . . ?
C27A C27 C28 10(2) . . ?
C27A C27 C28A 4.4(18) . . ?
C27A C27 C32 129(3) . . ?
C27A C27 C32A 101(3) . . ?
C28 C27 P1 118.2(10) . . ?
C28 C27 P1A 101.5(10) . . ?
C28 C27 C28A 6.5(9) . . ?
C28 C27 C32 121.4(14) . . ?
C32 C27 P1 120.2(11) . . ?
C32 C27 P1A 136.5(12) . . ?
C32 C27 C28A 124.7(12) . . ?
C32A C27 P1 146.4(13) . . ?
C32A C27 P1A 165.9(14) . . ?
C32A C27 C28 92.7(14) . . ?
C32A C27 C28A 96.8(12) . . ?
C32A C27 C32 29.6(8) . . ?
P1A C27A P1 17.71(14) . . ?
P1A C27A C29 158.2(8) . . ?
C27 C27A P1 54.7(19) . . ?
C27 C27A P1A 69(2) . . ?
C27 C27A C28 162(3) . . ?
C27 C27A C28A 174(2) . . ?
C27 C27A C29 132(2) . . ?
C27 C27A C32 38(2) . . ?
C27 C27A C32A 55(2) . . ?
C28 C27A P1 136.3(17) . . ?
C28 C27A P1A 124.7(16) . . ?
C28 C27A C28A 12.2(15) . . ?
C28 C27A C29 35.6(14) . . ?
C28 C27A C32 129.3(17) . . ?
C28 C27A C32A 110.1(17) . . ?
C28A C27A P1 130.8(7) . . ?
C28A C27A P1A 116.6(7) . . ?
C28A C27A C29 42.1(7) . . ?
C28A C27A C32 136.9(9) . . ?
C29 C27A P1 171.4(9) . . ?
C32 C27A P1 92.2(6) . . ?
C32 C27A P1A 105.9(7) . . ?
C32 C27A C29 94.9(8) . . ?
C32A C27A P1 109.3(7) . . ?
C32A C27A P1A 124.5(8) . . ?
C32A C27A C28A 118.9(9) . . ?
C32A C27A C29 76.9(8) . . ?
C32A C27A C32 19.7(7) . . ?
P1A C28 H28 74.8 . . ?
C27 C28 P1A 45.4(8) . . ?
C27 C28 H28 119.1 . . ?
C27 C28 C29 121.8(15) . . ?
C27 C28 C29A 142.7(13) . . ?
C27 C28 C32A 39.5(9) . . ?
C27A C28 P1A 39.6(13) . . ?
C27A C28 C27 7.4(13) . . ?
C27A C28 H28 114.2 . . ?
C27A C28 C29 126(2) . . ?
C27A C28 C29A 147(2) . . ?
C27A C28 C32A 45.7(13) . . ?
C28A C28 P1A 121(2) . . ?
C28A C28 C27 160(3) . . ?
C28A C28 C27A 153(3) . . ?
C28A C28 H28 54.3 . . ?
C28A C28 C29 68(2) . . ?
C28A C28 C29A 48.2(17) . . ?
C28A C28 C32A 150(2) . . ?
C29 C28 P1A 163.0(15) . . ?
C29 C28 H28 119.1 . . ?
C29 C28 C29A 20.9(8) . . ?
C29 C28 C32A 83.2(11) . . ?
C29A C28 P1A 166.8(11) . . ?
C29A C28 H28 98.2 . . ?
C29A C28 C32A 104.0(9) . . ?
C32A C28 P1A 85.0(10) . . ?
C32A C28 H28 156.1 . . ?
C27 C28A H28A 121.0 . . ?
C27A C28A C27 1.7(7) . . ?
C27A C28A H28A 119.3 . . ?
C28 C28A C27 13.1(19) . . ?
C28 C28A C27A 14.5(19) . . ?
C28 C28A H28A 128.2 . . ?
C28 C28A C29 85(2) . . ?
C28 C28A C29A 111(2) . . ?
C29 C28A C27 92.8(11) . . ?
C29 C28A C27A 94.5(11) . . ?
C29 C28A H28A 146.1 . . ?
C29 C28A C29A 27.0(8) . . ?
C29A C28A C27 119.7(9) . . ?
C29A C28A C27A 121.3(10) . . ?
C29A C28A H28A 119.3 . . ?
C27A C29 H29 138.2 . . ?
C28 C29 C27A 18.0(9) . . ?
C28 C29 H29 121.0 . . ?
C28 C29 C31A 95.3(13) . . ?
C28A C29 C27A 43.4(7) . . ?
C28A C29 C28 26.5(7) . . ?
C28A C29 H29 94.8 . . ?
C28A C29 C30 143.9(17) . . ?
C28A C29 C31A 121.8(13) . . ?
C29A C29 C27A 122(2) . . ?
C29A C29 C28 105(2) . . ?
C29A C29 C28A 79.1(19) . . ?
C29A C29 H29 17.3 . . ?
C29A C29 C30 137(3) . . ?
C29A C29 C30A 108(3) . . ?
C29A C29 C31A 157(3) . . ?
C30 C29 C27A 100.6(13) . . ?
C30 C29 C28 118.0(17) . . ?
C30 C29 H29 121.0 . . ?
C30 C29 C31A 23.3(8) . . ?
C30A C29 C27A 128.1(16) . . ?
C30A C29 C28 143.5(19) . . ?
C30A C29 C28A 169(2) . . ?
C30A C29 H29 93.4 . . ?
C30A C29 C30 30.1(10) . . ?
C30A C29 C31A 49.9(10) . . ?
C31A C29 C27A 78.5(8) . . ?
C31A C29 H29 143.3 . . ?
C28 C29A H29A 140.5 . . ?
C28 C29A C30 83.9(9) . . ?
C28A C29A C28 20.6(6) . . ?
C28A C29A H29A 120.3 . . ?
C28A C29A C30 103.5(9) . . ?
C28A C29A C30A 119.4(10) . . ?
C29 C29A C28 54.5(19) . . ?
C29 C29A C28A 74(2) . . ?
C29 C29A H29A 164.1 . . ?
C29 C29A C30 29.6(18) . . ?
C29 C29A C30A 46.1(19) . . ?
C30 C29A H29A 135.6 . . ?
C30A C29A C28 99.1(9) . . ?
C30A C29A H29A 120.3 . . ?
C30A C29A C30 17.4(7) . . ?
C29 C30 C29A 13.4(9) . . ?
C29 C30 H30 120.7 . . ?
C29 C30 C31 118.5(15) . . ?
C29 C30 C32A 78.3(11) . . ?
C29A C30 H30 107.4 . . ?
C29A C30 C32A 91.5(8) . . ?
C30A C30 C29 49.0(17) . . ?
C30A C30 C29A 36.4(14) . . ?
C30A C30 H30 73.6 . . ?
C30A C30 C31 161(3) . . ?
C30A C30 C31A 141(4) . . ?
C30A C30 C32A 122(2) . . ?
C31 C30 C29A 131.9(12) . . ?
C31 C30 H30 120.7 . . ?
C31 C30 C32A 41.2(9) . . ?
C31A C30 C29 112(2) . . ?
C31A C30 C29A 125(2) . . ?
C31A C30 H30 122.4 . . ?
C31A C30 C31 21.9(17) . . ?
C31A C30 C32A 36.7(13) . . ?
C32A C30 H30 159.1 . . ?
C29 C30A C29A 26.0(11) . . ?
C29 C30A H30A 145.4 . . ?
C29 C30A C31A 94.7(14) . . ?
C29A C30A H30A 119.7 . . ?
C29A C30A C31A 120.6(9) . . ?
C30 C30A C29 101(2) . . ?
C30 C30A C29A 126(2) . . ?
C30 C30A H30A 110.4 . . ?
C30 C30A C31A 21(2) . . ?
C31A C30A H30A 119.7 . . ?
C30 C31 H31 118.5 . . ?
C30 C31 C32 123.0(14) . . ?
C31A C31 C30 23.1(17) . . ?
C31A C31 H31 123.5 . . ?
C31A C31 C32 113(2) . . ?
C31A C31 C32A 83.9(19) . . ?
C32 C31 H31 118.5 . . ?
C32A C31 C30 93.7(14) . . ?
C32A C31 H31 147.3 . . ?
C32A C31 C32 29.8(7) . . ?
C29 C31A H31A 155.9 . . ?
C29 C31A C32 101.7(9) . . ?
C30 C31A C29 44.3(15) . . ?
C30 C31A C30A 18.4(18) . . ?
C30 C31A H31A 111.9 . . ?
C30 C31A C32 138.9(19) . . ?
C30 C31A C32A 124.4(18) . . ?
C30A C31A C29 35.3(8) . . ?
C30A C31A H31A 121.1 . . ?
C30A C31A C32 137.1(9) . . ?
C30A C31A C32A 117.9(9) . . ?
C31 C31A C29 133(2) . . ?
C31 C31A C30 135(3) . . ?
C31 C31A C30A 152(3) . . ?
C31 C31A H31A 63.3 . . ?
C31 C31A C32 45.1(14) . . ?
C31 C31A C32A 65.1(16) . . ?
C32 C31A H31A 101.4 . . ?
C32A C31A C29 82.8(9) . . ?
C32A C31A H31A 121.1 . . ?
C32A C31A C32 20.6(6) . . ?
C27 C32 C27A 13.9(8) . . ?
C27 C32 C31A 97.2(11) . . ?
C27 C32 H32 121.8 . . ?
C27A C32 C31A 83.8(7) . . ?
C27A C32 H32 135.6 . . ?
C31 C32 C27 116.5(14) . . ?
C31 C32 C27A 102.6(11) . . ?
C31 C32 C31A 21.8(9) . . ?
C31 C32 H32 121.8 . . ?
C31A C32 H32 139.7 . . ?
C32A C32 C27 52.6(14) . . ?
C32A C32 C27A 40.3(12) . . ?
C32A C32 C31 66.8(16) . . ?
C32A C32 C31A 45.6(13) . . ?
C32A C32 H32 161.9 . . ?
C27 C32A C27A 23.8(9) . . ?
C27 C32A C28 47.8(10) . . ?
C27 C32A C30 126.9(12) . . ?
C27 C32A C31 159.7(18) . . ?
C27 C32A C31A 145.5(13) . . ?
C27 C32A H32A 95.4 . . ?
C27A C32A C28 24.2(6) . . ?
C27A C32A C30 103.4(9) . . ?
C27A C32A C31A 121.8(10) . . ?
C27A C32A H32A 119.1 . . ?
C28 C32A C30 80.5(9) . . ?
C28 C32A H32A 142.4 . . ?
C30 C32A H32A 137.2 . . ?
C31 C32A C27A 143.8(13) . . ?
C31 C32A C28 124.2(12) . . ?
C31 C32A C30 45.1(7) . . ?
C31 C32A C31A 30.9(8) . . ?
C31 C32A H32A 93.0 . . ?
C31A C32A C28 98.1(10) . . ?
C31A C32A C30 18.9(7) . . ?
C31A C32A H32A 119.1 . . ?
C32 C32A C27 97.8(17) . . ?
C32 C32A C27A 120.0(17) . . ?
C32 C32A C28 143.6(19) . . ?
C32 C32A C30 127.7(19) . . ?
C32 C32A C31 83.4(16) . . ?
C32 C32A C31A 113.8(17) . . ?
C32 C32A H32A 21.8 . . ?
P1 C33 C21A 37.4(4) . . ?
P1 C33 H33A 107.8 . . ?
P1 C33 H33B 107.8 . . ?
P1A C33 P1 21.51(17) . . ?
P1A C33 C21A 57.9(4) . . ?
P1A C33 H33A 115.3 . . ?
P1A C33 H33B 120.8 . . ?
C21A C33 H33A 80.7 . . ?
C21A C33 H33B 92.5 . . ?
H33A C33 H33B 107.2 . . ?
C33A C33 P1 98.4(9) . . ?
C33A C33 P1A 76.9(8) . . ?
C33A C33 C21A 132.4(10) . . ?
C33A C33 H33A 108.9 . . ?
C33A C33 H33B 125.4 . . ?
C33A C33 C34 21.4(7) . . ?
C33A C33 C34A 70.7(8) . . ?
C34 C33 P1 117.9(10) . . ?
C34 C33 P1A 96.6(9) . . ?
C34 C33 C21A 153.7(10) . . ?
C34 C33 H33A 107.8 . . ?
C34 C33 H33B 107.8 . . ?
C34A C33 P1 139.1(9) . . ?
C34A C33 P1A 128.2(9) . . ?
C34A C33 C21A 149.7(11) . . ?
C34A C33 H33A 113.0 . . ?
C34A C33 H33B 58.1 . . ?
C34A C33 C34 50.5(8) . . ?
P1 C33A H33C 121.5 . . ?
P1 C33A H33D 106.8 . . ?
P1A C33A P1 13.19(16) . . ?
P1A C33A H33C 109.2 . . ?
P1A C33A H33D 109.2 . . ?
C33 C33A P1 50.8(6) . . ?
C33 C33A P1A 63.9(7) . . ?
C33 C33A H33C 159.8 . . ?
C33 C33A H33D 92.3 . . ?
C33 C33A C34A 60.8(7) . . ?
H33C C33A H33D 107.9 . . ?
C34 C33A P1 154(2) . . ?
C34 C33A P1A 158(2) . . ?
C34 C33A C33 112(2) . . ?
C34 C33A H33C 67.2 . . ?
C34 C33A H33D 91.9 . . ?
C34 C33A C34A 54(2) . . ?
C34A C33A P1 101.8(5) . . ?
C34A C33A P1A 112.2(6) . . ?
C34A C33A H33C 109.2 . . ?
C34A C33A H33D 109.2 . . ?
P2 C34 H34A 109.7 . . ?
P2 C34 H34B 109.7 . . ?
C33 C34 P2 109.8(11) . . ?
C33 C34 H34A 109.7 . . ?
C33 C34 H34B 109.7 . . ?
C33A C34 P2 139(3) . . ?
C33A C34 C33 47.0(19) . . ?
C33A C34 H34A 110.3 . . ?
C33A C34 H34B 65.1 . . ?
C33A C34 C34A 104(3) . . ?
H34A C34 H34B 108.2 . . ?
C34A C34 P2 53.4(6) . . ?
C34A C34 C33 59.5(9) . . ?
C34A C34 H34A 110.1 . . ?
C34A C34 H34B 141.6 . . ?
P2 C34A H34C 110.2 . . ?
P2 C34A H34D 110.2 . . ?
P2 C34A C41 58.5(4) . . ?
C33 C34A P2 150.8(8) . . ?
C33 C34A C33A 48.5(7) . . ?
C33 C34A H34C 72.1 . . ?
C33 C34A H34D 95.7 . . ?
C33 C34A C41 150.1(9) . . ?
C33A C34A P2 107.5(6) . . ?
C33A C34A H34C 110.2 . . ?
C33A C34A H34D 110.2 . . ?
C33A C34A C41 156.2(7) . . ?
C34 C34A P2 89.9(8) . . ?
C34 C34A C33 70.0(9) . . ?
C34 C34A C33A 22.6(6) . . ?
C34 C34A H34C 131.2 . . ?
C34 C34A H34D 104.8 . . ?
C34 C34A C41 133.7(9) . . ?
H34C C34A H34D 108.5 . . ?
C41 C34A H34C 93.3 . . ?
C41 C34A H34D 63.5 . . ?
C40A C35 P2 124.8(3) . . ?
C40A C35 C36A 120.0 . . ?
C40A C35 C40 18.8(6) . . ?
C36A C35 P2 115.2(3) . . ?
C36A C35 C40 133.2(7) . . ?
C36 C35 P2 134.9(7) . . ?
C36 C35 C40A 94.0(6) . . ?
C36 C35 C36A 35.5(7) . . ?
C36 C35 C40 112.1(8) . . ?
C40 C35 P2 109.7(6) . . ?
C35 C40A H40A 120.0 . . ?
C35 C40A C39A 120.0 . . ?
C35 C40A C36 42.4(3) . . ?
C35 C40A C38 116.3(4) . . ?
C39A C40A H40A 120.0 . . ?
C39A C40A C36 80.9(3) . . ?
C39A C40A C38 13.9(5) . . ?
C36 C40A H40A 153.7 . . ?
C38 C40A H40A 121.9 . . ?
C38 C40A C36 74.5(5) . . ?
C39 C40A C35 155.3(8) . . ?
C39 C40A H40A 84.1 . . ?
C39 C40A C39A 36.3(6) . . ?
C39 C40A C36 117.0(7) . . ?
C39 C40A C38 43.2(6) . . ?
C40A C39A H39A 120.0 . . ?
C40A C39A C37 97.5(4) . . ?
C40A C39A C40 11.1(5) . . ?
C38A C39A C40A 120.0 . . ?
C38A C39A H39A 120.0 . . ?
C38A C39A C37 34.5(5) . . ?
C38A C39A C40 124.2(4) . . ?
C37 C39A H39A 133.9 . . ?
C37 C39A C40 106.4(5) . . ?
C38 C39A C40A 139.3(13) . . ?
C38 C39A H39A 74.7 . . ?
C38 C39A C38A 60.3(13) . . ?
C38 C39A C37 59.2(11) . . ?
C38 C39A C39 126.3(17) . . ?
C38 C39A C40 150.0(15) . . ?
C39 C39A C40A 59.6(9) . . ?
C39 C39A H39A 61.1 . . ?
C39 C39A C38A 171.3(14) . . ?
C39 C39A C37 151.7(13) . . ?
C39 C39A C40 53.6(9) . . ?
C40 C39A H39A 114.7 . . ?
C39A C38A H38A 120.0 . . ?
C39A C38A C36 81.8(4) . . ?
C37A C38A C39A 120.0 . . ?
C37A C38A H38A 120.0 . . ?
C37A C38A C36 41.6(5) . . ?
C36 C38A H38A 152.8 . . ?
C37 C38A C39A 86.1(10) . . ?
C37 C38A H38A 122.0 . . ?
C37 C38A C37A 62.5(10) . . ?
C37 C38A C36 37.7(8) . . ?
C37 C38A C38 80.2(10) . . ?
C38 C38A C39A 32.0(5) . . ?
C38 C38A H38A 96.5 . . ?
C38 C38A C37A 137.3(7) . . ?
C38 C38A C36 96.0(8) . . ?
C38A C37A H37A 120.0 . . ?
C38A C37A C36A 120.0 . . ?
C36A C37A H37A 120.0 . . ?
C36 C37A C38A 94.1(7) . . ?
C36 C37A H37A 137.6 . . ?
C36 C37A C36A 35.9(6) . . ?
C37 C37A C38A 39.9(6) . . ?
C37 C37A H37A 126.8 . . ?
C37 C37A C36A 99.6(6) . . ?
C37 C37A C36 64.6(7) . . ?
C35 C36A H36A 120.0 . . ?
C35 C36A C37 88.2(5) . . ?
C37A C36A C35 120.0 . . ?
C37A C36A H36A 120.0 . . ?
C37A C36A C37 37.9(5) . . ?
C36 C36A C35 70.3(7) . . ?
C36 C36A C37A 67.8(8) . . ?
C36 C36A H36A 135.7 . . ?
C36 C36A C37 31.3(10) . . ?
C37 C36A H36A 145.1 . . ?
C35 C36 C40A 43.6(4) . . ?
C35 C36 C38A 111.0(8) . . ?
C35 C36 H36 117.9 . . ?
C35 C36 C37 124.2(12) . . ?
C40A C36 H36 159.4 . . ?
C38A C36 C40A 74.1(5) . . ?
C38A C36 H36 126.5 . . ?
C37A C36 C35 127.6(11) . . ?
C37A C36 C40A 111.3(9) . . ?
C37A C36 C38A 44.2(4) . . ?
C37A C36 H36 87.2 . . ?
C37A C36 C37 55.6(9) . . ?
C36A C36 C35 74.3(6) . . ?
C36A C36 C40A 108.2(9) . . ?
C36A C36 C38A 110.1(13) . . ?
C36A C36 C37A 76.4(11) . . ?
C36A C36 H36 66.3 . . ?
C36A C36 C37 130.4(16) . . ?
C37 C36 C40A 81.3(9) . . ?
C37 C36 C38A 23.9(7) . . ?
C37 C36 H36 117.9 . . ?
C39A C37 C36A 99.0(6) . . ?
C39A C37 H37 142.4 . . ?
C38A C37 C39A 59.4(9) . . ?
C38A C37 C37A 77.6(11) . . ?
C38A C37 C36A 103.2(10) . . ?
C38A C37 C36 118.4(14) . . ?
C38A C37 H37 92.1 . . ?
C38A C37 C38 59.3(11) . . ?
C37A C37 C39A 113.3(10) . . ?
C37A C37 C36A 42.5(3) . . ?
C37A C37 C36 59.9(8) . . ?
C37A C37 H37 79.8 . . ?
C37A C37 C38 132.2(14) . . ?
C36A C37 H37 112.1 . . ?
C36 C37 C39A 97.6(10) . . ?
C36 C37 C36A 18.4(7) . . ?
C36 C37 H37 118.6 . . ?
C36 C37 C38 122.9(13) . . ?
C38 C37 C39A 27.2(6) . . ?
C38 C37 C36A 126.2(10) . . ?
C38 C37 H37 118.6 . . ?
C40A C38 H38 156.3 . . ?
C39A C38 C40A 26.8(9) . . ?
C39A C38 C38A 87.7(15) . . ?
C39A C38 C37 93.6(15) . . ?
C39A C38 H38 141.2 . . ?
C39A C38 C39 28.5(11) . . ?
C38A C38 C40A 93.6(8) . . ?
C38A C38 C37 40.5(8) . . ?
C38A C38 H38 107.9 . . ?
C38A C38 C39 116.0(12) . . ?
C37 C38 C40A 81.4(9) . . ?
C37 C38 H38 121.5 . . ?
C37 C38 C39 116.9(12) . . ?
C39 C38 C40A 36.2(7) . . ?
C39 C38 H38 121.5 . . ?
C40A C39 C38 100.6(11) . . ?
C40A C39 H39 137.7 . . ?
C40A C39 C40 18.1(6) . . ?
C39A C39 C40A 84.0(13) . . ?
C39A C39 C38 25.1(8) . . ?
C39A C39 H39 137.3 . . ?
C39A C39 C40 98.3(15) . . ?
C38 C39 H39 121.2 . . ?
C38 C39 C40 117.7(13) . . ?
C40 C39 H39 121.2 . . ?
C35 C40 C39A 98.2(7) . . ?
C35 C40 H40 117.2 . . ?
C39A C40 H40 144.2 . . ?
C39 C40 C35 125.7(12) . . ?
C39 C40 C39A 28.1(7) . . ?
C39 C40 H40 117.2 . . ?
P2 C41 C34A 56.8(4) . . ?
P2 C41 C42A 99.9(6) . . ?
C34A C41 C42A 114.9(6) . . ?
C41A C41 P2 79.9(7) . . ?
C41A C41 C34A 129.2(8) . . ?
C41A C41 C42 135.9(10) . . ?
C41A C41 C42A 43.4(5) . . ?
C41A C41 C46 44.2(7) . . ?
C42 C41 P2 132.2(8) . . ?
C42 C41 C34A 94.7(7) . . ?
C42 C41 C42A 127.8(9) . . ?
C46 C41 P2 111.6(8) . . ?
C46 C41 C34A 126.7(9) . . ?
C46 C41 C42 116.2(11) . . ?
C46 C41 C42A 13.6(7) . . ?
C41 C41A P2 59.2(6) . . ?
C41 C41A C42A 94.8(9) . . ?
C41 C41A C46A 117.1(9) . . ?
C42A C41A P2 114.9(6) . . ?
C42A C41A C46A 123.3(9) . . ?
C46 C41A P2 114.3(9) . . ?
C46 C41A C41 70.6(9) . . ?
C46 C41A C42A 31.0(9) . . ?
C46 C41A C46A 117.6(13) . . ?
C46A C41A P2 121.5(7) . . ?
C41 C42 H42 116.7 . . ?
C41 C42 C43 126.7(11) . . ?
C43 C42 H42 116.7 . . ?
C41 C42A H42A 94.1 . . ?
C41A C42A C41 41.8(6) . . ?
C41A C42A H42A 121.0 . . ?
C41A C42A C43A 118.0(10) . . ?
C41A C42A C45 98.0(10) . . ?
C43A C42A C41 132.1(10) . . ?
C43A C42A H42A 121.0 . . ?
C43A C42A C45 52.4(8) . . ?
C45 C42A C41 83.9(8) . . ?
C45 C42A H42A 117.2 . . ?
C46 C42A C41 26.7(11) . . ?
C46 C42A C41A 46.7(13) . . ?
C46 C42A H42A 114.1 . . ?
C46 C42A C43A 105.4(16) . . ?
C46 C42A C45 59.6(13) . . ?
C42 C43 H43 123.9 . . ?
C44 C43 C42 112.2(11) . . ?
C44 C43 H43 123.9 . . ?
C42A C43A H43A 118.8 . . ?
C42A C43A C46 23.5(7) . . ?
C44A C43A C42A 122.4(10) . . ?
C44A C43A H43A 118.8 . . ?
C44A C43A C46 105.4(9) . . ?
C45 C43A C42A 71.9(9) . . ?
C45 C43A H43A 109.6 . . ?
C45 C43A C44A 89.3(10) . . ?
C45 C43A C46 52.0(6) . . ?
C46 C43A H43A 132.5 . . ?
C43 C44 H44 117.7 . . ?
C45 C44 C43 124.6(12) . . ?
C45 C44 H44 117.7 . . ?
C43A C44A H44A 122.2 . . ?
C43A C44A C45 44.4(7) . . ?
C43A C44A C45A 115.6(9) . . ?
C45 C44A H44A 124.4 . . ?
C45A C44A H44A 122.2 . . ?
C45A C44A C45 96.4(8) . . ?
C42A C45 C44A 87.1(8) . . ?
C42A C45 H45 95.2 . . ?
C43A C45 C42A 55.6(6) . . ?
C43A C45 C44 160.0(12) . . ?
C43A C45 C44A 46.4(6) . . ?
C43A C45 H45 43.4 . . ?
C43A C45 C46 78.6(9) . . ?
C44 C45 C42A 143.4(12) . . ?
C44 C45 C44A 117.3(10) . . ?
C44 C45 H45 120.7 . . ?
C44 C45 C46 118.6(12) . . ?
C44A C45 H45 56.1 . . ?
C46 C45 C42A 26.4(6) . . ?
C46 C45 C44A 96.3(9) . . ?
C46 C45 H45 120.7 . . ?
C44A C45A H45A 118.1 . . ?
C44A C45A C46A 123.8(10) . . ?
C46A C45A H45A 118.1 . . ?
C41 C46 C43A 169.2(12) . . ?
C41 C46 C45 121.5(12) . . ?
C41 C46 H46 119.3 . . ?
C41 C46 C46A 81.8(8) . . ?
C41A C46 C41 65.3(9) . . ?
C41A C46 C43A 116.4(12) . . ?
C41A C46 C45 137.7(16) . . ?
C41A C46 H46 70.8 . . ?
C41A C46 C46A 36.3(8) . . ?
C42A C46 C41 139.7(17) . . ?
C42A C46 C41A 102.3(18) . . ?
C42A C46 C43A 51.1(12) . . ?
C42A C46 C45 94.0(14) . . ?
C42A C46 H46 31.6 . . ?
C42A C46 C46A 111.4(19) . . ?
C43A C46 H46 70.2 . . ?
C43A C46 C46A 94.0(8) . . ?
C45 C46 C43A 49.4(7) . . ?
C45 C46 H46 119.3 . . ?
C45 C46 C46A 101.4(10) . . ?
C46A C46 H46 86.9 . . ?
C41A C46A C45A 116.7(9) . . ?
C41A C46A C46 26.1(6) . . ?
C41A C46A H46A 121.7 . . ?
C45A C46A C46 93.7(7) . . ?
C45A C46A H46A 121.7 . . ?
C46 C46A H46A 142.6 . . ?
C48 C47 H47 119.9 . . ?
C52 C47 H47 119.9 . . ?
C52 C47 C48 120.3(7) . . ?
C47 C48 H48 119.9 . . ?
C49 C48 C47 120.2(8) . . ?
C49 C48 H48 119.9 . . ?
C48 C49 H49 119.9 . . ?
C50 C49 C48 120.3(7) . . ?
C50 C49 H49 119.9 . . ?
C49 C50 H50 119.3 . . ?
C49 C50 C51 121.4(8) . . ?
C51 C50 H50 119.3 . . ?
C50 C51 H51 120.5 . . ?
C52 C51 C50 119.0(8) . . ?
C52 C51 H51 120.5 . . ?
C47 C52 P4 119.9(4) . . ?
C47 C52 C51 118.9(5) . . ?
C51 C52 P4 121.0(5) . . ?
C54 C53 H53 119.8 . . ?
C54 C53 C58 120.5(6) . . ?
C58 C53 H53 119.8 . . ?
C53 C54 H54 120.1 . . ?
C53 C54 C55 119.8(6) . . ?
C55 C54 H54 120.1 . . ?
C54 C55 H55 119.9 . . ?
C56 C55 C54 120.2(6) . . ?
C56 C55 H55 119.9 . . ?
C55 C56 H56 119.9 . . ?
C55 C56 C57 120.2(7) . . ?
C57 C56 H56 119.9 . . ?
C56 C57 H57 119.8 . . ?
C58 C57 C56 120.4(5) . . ?
C58 C57 H57 119.8 . . ?
C53 C58 P4 121.8(4) . . ?
C57 C58 P4 119.4(4) . . ?
C57 C58 C53 118.8(5) . . ?
P4 C59 H59A 109.2 . . ?
P4 C59 H59B 109.2 . . ?
H59A C59 H59B 107.9 . . ?
C60 C59 P4 112.0(3) . . ?
C60 C59 H59A 109.2 . . ?
C60 C59 H59B 109.2 . . ?
P3 C60 H60A 109.2 . . ?
P3 C60 H60B 109.2 . . ?
C59 C60 P3 111.9(3) . . ?
C59 C60 H60A 109.2 . . ?
C59 C60 H60B 109.2 . . ?
H60A C60 H60B 107.9 . . ?
C62 C61 P3 118.0(4) . . ?
C66 C61 P3 122.4(4) . . ?
C66 C61 C62 119.5(4) . . ?
C61 C62 H62 119.6 . . ?
C63 C62 C61 120.8(5) . . ?
C63 C62 H62 119.6 . . ?
C62 C63 H63 120.5 . . ?
C62 C63 C64 118.9(6) . . ?
C64 C63 H63 120.5 . . ?
C63 C64 H64 119.6 . . ?
C65 C64 C63 120.9(5) . . ?
C65 C64 H64 119.6 . . ?
C64 C65 H65 119.8 . . ?
C64 C65 C66 120.3(5) . . ?
C66 C65 H65 119.8 . . ?
C61 C66 C65 119.5(6) . . ?
C61 C66 H66 120.2 . . ?
C65 C66 H66 120.2 . . ?
C68 C67 P3 122.4(4) . . ?
C68 C67 C72 118.3(5) . . ?
C72 C67 P3 118.9(4) . . ?
C67 C68 H68 119.7 . . ?
C67 C68 C69 120.6(6) . . ?
C69 C68 H68 119.7 . . ?
C68 C69 H69 119.9 . . ?
C70 C69 C68 120.2(6) . . ?
C70 C69 H69 119.9 . . ?
C69 C70 H70 120.1 . . ?
C69 C70 C71 119.8(6) . . ?
C71 C70 H70 120.1 . . ?
C70 C71 H71 120.1 . . ?
C70 C71 C72 119.8(6) . . ?
C72 C71 H71 120.1 . . ?
C67 C72 C71 121.3(5) . . ?
C67 C72 H72 119.4 . . ?
C71 C72 H72 119.4 . . ?
O1AA C73 C74 116.9(5) . . ?
O2AA C73 O1AA 126.2(4) . . ?
O2AA C73 C74 116.8(6) . . ?
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 . . ?
O C75 C76 115.1(6) . . ?
O3AA C75 O 127.1(5) . . ?
O3AA C75 C76 117.7(6) . . ?
C75 C76 H76A 109.5 . . ?
C75 C76 H76B 109.5 . . ?
C75 C76 H76C 109.5 . . ?
H76A C76 H76B 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
O5AA C77 O6 126.0(5) . . ?
O5AA C77 C78 115.9(6) . . ?
O6 C77 C78 118.0(6) . . ?
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 . . ?

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
Cu3 S2 C1 C2 -56.9(4) 2_666 . . . ?
Cu3 S2 C1 C6 124.1(4) 2_666 . . . ?
Cu3 O6 C77 O5AA -6.2(11) . . . . ?
Cu3 O6 C77 C78 174.9(7) . . . . ?
Cu4 S1 C11 C12 -120.4(5) . . . . ?
Cu4 S1 C11 C12A -64.5(12) . . . . ?
Cu4 S1 C11 C16 60.1(6) . . . . ?
Cu4 S1 C11 C16A 118.8(12) . . . . ?
Cu4 O5AA C77 O6 8.3(10) . . . . ?
Cu4 O5AA C77 C78 -172.8(7) . . . . ?
Cu5 O C75 O3AA -3.4(8) . . . . ?
Cu5 O C75 C76 177.7(6) . . . . ?
Cu7 S2 C1 C2 -133.3(4) . . . . ?
Cu7 S2 C1 C6 47.8(4) . . . . ?
Cu7 O1AA C73 O2AA -2.8(8) . . . . ?
Cu7 O1AA C73 C74 177.8(5) . . . . ?
Cu8 S1 C11 C12 -44.0(5) . . . . ?
Cu8 S1 C11 C12A 11.9(12) . . . . ?
Cu8 S1 C11 C16 136.5(5) . . . . ?
Cu8 S1 C11 C16A -164.7(12) . . . . ?
Cu8 P4 C52 C47 73.3(5) . . . . ?
Cu8 P4 C52 C51 -101.2(5) . . . . ?
Cu8 P4 C58 C53 -175.2(4) . . . . ?
Cu8 P4 C58 C57 3.6(5) . . . . ?
Cu8 P4 C59 C60 71.7(4) . . . . ?
Cu9 S1 C11 C12 166.2(4) 2_666 . . . ?
Cu9 S1 C11 C12A -137.9(11) 2_666 . . . ?
Cu9 S1 C11 C16 -13.3(6) 2_666 . . . ?
Cu9 S1 C11 C16A 45.4(12) 2_666 . . . ?
Cu9 O2AA C73 O1AA -2.3(9) . . . . ?
Cu9 O2AA C73 C74 177.1(5) . . . . ?
Cu10 O3AA C75 O -4.1(9) . . . . ?
Cu10 O3AA C75 C76 174.8(6) . . . . ?
Cu12 S1 C11 C12 92.9(5) . . . . ?
Cu12 S1 C11 C12A 148.7(11) . . . . ?
Cu12 S1 C11 C16 -86.6(6) . . . . ?
Cu12 S1 C11 C16A -27.9(12) . . . . ?
Cu12 P1 P1A C21A -151.6(10) . . . . ?
Cu12 P1 P1A C27 127.4(5) . . . . ?
Cu12 P1 P1A C27A 118.2(5) . . . . ?
Cu12 P1 P1A C28 106.0(6) . . . . ?
Cu12 P1 P1A C33 -118.5(5) . . . . ?
Cu12 P1 P1A C33A -119.3(6) . . . . ?
Cu12 P1 C21 C21A 142.2(15) . . . . ?
Cu12 P1 C21 C22 147.3(15) . . . . ?
Cu12 P1 C21 C22A 154.3(5) . . . . ?
Cu12 P1 C21 C25A 38(5) . . . . ?
Cu12 P1 C21 C26 -19(2) . . . . ?
Cu12 P1 C21 C26A 15(4) . . . . ?
Cu12 P1 C21A P1A 135.3(15) . . . . ?
Cu12 P1 C21A C21 -55(2) . . . . ?
Cu12 P1 C21A C22A 148.2(8) . . . . ?
Cu12 P1 C21A C26A -34.5(11) . . . . ?
Cu12 P1 C21A C33 103.4(8) . . . . ?
Cu12 P1 C27 P1A -55.7(6) . . . . ?
Cu12 P1 C27 C27A -23(3) . . . . ?
Cu12 P1 C27 C28 -14.7(14) . . . . ?
Cu12 P1 C27 C28A -21.1(10) . . . . ?
Cu12 P1 C27 C32 159.2(11) . . . . ?
Cu12 P1 C27 C32A 140(2) . . . . ?
Cu12 P1 C33 P1A 61.7(5) . . . . ?
Cu12 P1 C33 C21A -138.8(5) . . . . ?
Cu12 P1 C33 C33A 62.5(9) . . . . ?
Cu12 P1 C33 C34 53.3(12) . . . . ?
Cu12 P1 C33 C34A -7.5(17) . . . . ?
Cu12 P1A C21A P1 -31.1(11) . . . . ?
Cu12 P1A C21A C21 -43(2) . . . . ?
Cu12 P1A C21A C22A 159.6(7) . . . . ?
Cu12 P1A C21A C26A -19.8(9) . . . . ?
Cu12 P1A C21A C33 112.6(5) . . . . ?
Cu12 P1A C27 P1 92.9(7) . . . . ?
Cu12 P1A C27 C27A -57(3) . . . . ?
Cu12 P1A C27 C28 -50.8(13) . . . . ?
Cu12 P1A C27 C28A -55.9(9) . . . . ?
Cu12 P1A C27 C32 138.9(15) . . . . ?
Cu12 P1A C27 C32A 130(6) . . . . ?
Cu12 P1A C27A P1 100.2(6) . . . . ?
Cu12 P1A C27A C27 132(2) . . . . ?
Cu12 P1A C27A C28 -36(2) . . . . ?
Cu12 P1A C27A C28A -46.5(11) . . . . ?
Cu12 P1A C27A C29 -57(3) . . . . ?
Cu12 P1A C27A C32 140.7(7) . . . . ?
Cu12 P1A C27A C32A 133.7(11) . . . . ?
Cu12 P1A C33 P1 -90.6(5) . . . . ?
Cu12 P1A C33 C21A -105.1(4) . . . . ?
Cu12 P1A C33 C33A 90.3(8) . . . . ?
Cu12 P1A C33 C34 82.0(9) . . . . ?
Cu12 P1A C33 C34A 38.3(14) . . . . ?
Cu12 P1A C33A P1 -109.9(7) . . . . ?
Cu12 P1A C33A C33 -108.8(8) . . . . ?
Cu12 P1A C33A C34 -26(6) . . . . ?
Cu12 P1A C33A C34A -70.6(7) . . . . ?
Cu13 S2 C1 C2 150.2(4) . . . . ?
Cu13 S2 C1 C6 -28.7(4) . . . . ?
Cu13 P3 C60 C59 66.4(3) . . . . ?
Cu13 P3 C61 C62 11.6(4) . . . . ?
Cu13 P3 C61 C66 -170.8(3) . . . . ?
Cu13 P3 C67 C68 -108.2(5) . . . . ?
Cu13 P3 C67 C72 64.4(5) . . . . ?
Cu14 S2 C1 C2 20.8(4) . . . . ?
Cu14 S2 C1 C6 -158.2(4) . . . . ?
Cu14 P2 C34A C33 -43.2(17) . . . . ?
Cu14 P2 C34A C33A -74.1(6) . . . . ?
Cu14 P2 C34A C34 -88.6(8) . . . . ?
Cu14 P2 C34A C41 127.2(4) . . . . ?
Cu14 P2 C35 C40A 8.5(4) . . . . ?
Cu14 P2 C35 C36A -172.5(3) . . . . ?
Cu14 P2 C35 C36 -135.9(11) . . . . ?
Cu14 P2 C35 C40 21.2(8) . . . . ?
Cu14 P2 C41 C34A -99.7(4) . . . . ?
Cu14 P2 C41 C41A 52.3(7) . . . . ?
Cu14 P2 C41 C42 -162.3(8) . . . . ?
Cu14 P2 C41 C42A 13.6(7) . . . . ?
Cu14 P2 C41 C46 20.8(11) . . . . ?
S1 C11 C12 C13 -178.5(6) . . . . ?
S1 C11 C12A C13A -173.7(16) . . . . ?
S1 C11 C16 C15 -178.5(7) . . . . ?
S1 C11 C16A C15A -177.6(15) . . . . ?
S2 C1 C2 C3 -173.9(4) . . . . ?
S2 C1 C6 C5 174.1(5) . . . . ?
P1 P1A C21A C21 -12(2) . . . . ?
P1 P1A C21A C22A -169.3(15) . . . . ?
P1 P1A C21A C26A 11.3(11) . . . . ?
P1 P1A C21A C33 143.8(12) . . . . ?
P1 P1A C27 C27A -150(2) . . . . ?
P1 P1A C27 C28 -143.8(11) . . . . ?
P1 P1A C27 C28A -148.8(8) . . . . ?
P1 P1A C27 C32 46.0(18) . . . . ?
P1 P1A C27 C32A 37(6) . . . . ?
P1 P1A C27A C27 32(3) . . . . ?
P1 P1A C27A C28 -136(2) . . . . ?
P1 P1A C27A C28A -146.8(10) . . . . ?
P1 P1A C27A C29 -157(3) . . . . ?
P1 P1A C27A C32 40.4(10) . . . . ?
P1 P1A C27A C32A 33.4(13) . . . . ?
P1 P1A C33 C21A -14.5(5) . . . . ?
P1 P1A C33 C33A -179.1(8) . . . . ?
P1 P1A C33 C34 172.6(9) . . . . ?
P1 P1A C33 C34A 128.9(13) . . . . ?
P1 P1A C33A C33 1.1(10) . . . . ?
P1 P1A C33A C34 84(6) . . . . ?
P1 P1A C33A C34A 39.3(10) . . . . ?
P1 C21 C21A P1A 3.0(5) . . . . ?
P1 C21 C21A C22 175.8(10) . . . . ?
P1 C21 C21A C22A 163.1(18) . . . . ?
P1 C21 C21A C26A -71(4) . . . . ?
P1 C21 C21A C33 -86(4) . . . . ?
P1 C21 C22 C21A -3.2(8) . . . . ?
P1 C21 C22 C22A 10(2) . . . . ?
P1 C21 C22 C23 -173.7(16) . . . . ?
P1 C21 C22 C23A 28(8) . . . . ?
P1 C21 C22 C24A -164.0(19) . . . . ?
P1 C21 C22 C25A -159.8(19) . . . . ?
P1 C21 C22 C26A -131(5) . . . . ?
P1 C21 C22A C21A -10.5(11) . . . . ?
P1 C21 C22A C22 -171.5(16) . . . . ?
P1 C21 C22A C23A -175.2(9) . . . . ?
P1 C21 C25A C22 120(5) . . . . ?
P1 C21 C25A C23 130(5) . . . . ?
P1 C21 C25A C24 -171(4) . . . . ?
P1 C21 C25A C24A 124(5) . . . . ?
P1 C21 C25A C25 -82(5) . . . . ?
P1 C21 C25A C26 -68(5) . . . . ?
P1 C21 C25A C26A -27(3) . . . . ?
P1 C21 C26 C25 173.6(14) . . . . ?
P1 C21 C26 C25A 159.9(16) . . . . ?
P1 C21 C26 C26A 80(4) . . . . ?
P1 C21 C26A C21A 38(2) . . . . ?
P1 C21 C26A C22 140(4) . . . . ?
P1 C21 C26A C25A 171.0(9) . . . . ?
P1 C21 C26A C26 -114(3) . . . . ?
P1 C21A C22A C21 158(2) . . . . ?
P1 C21A C22A C22 172.6(13) . . . . ?
P1 C21A C22A C23A 175.7(10) . . . . ?
P1 C21A C26A C21 -116(4) . . . . ?
P1 C21A C26A C22 -174.2(10) . . . . ?
P1 C21A C26A C25A -176.1(10) . . . . ?
P1 C21A C26A C26 -62(4) . . . . ?
P1 C27 C27A P1A -11.3(8) . . . . ?
P1 C27 C27A C28 134(10) . . . . ?
P1 C27 C27A C29 173.3(16) . . . . ?
P1 C27 C27A C32 -177(4) . . . . ?
P1 C27 C27A C32A 170(3) . . . . ?
P1 C27 C28 P1A -14.1(4) . . . . ?
P1 C27 C28 C27A -50(11) . . . . ?
P1 C27 C28 C28A -64(8) . . . . ?
P1 C27 C28 C29 -179.7(13) . . . . ?
P1 C27 C28 C29A -178.3(17) . . . . ?
P1 C27 C28 C32A 166.2(19) . . . . ?
P1 C27 C32 C27A 177(4) . . . . ?
P1 C27 C32 C31 -179.1(13) . . . . ?
P1 C27 C32 C31A -168.3(10) . . . . ?
P1 C27 C32 C32A -158(2) . . . . ?
P1 C27 C32A C27A -164(5) . . . . ?
P1 C27 C32A C28 -158(3) . . . . ?
P1 C27 C32A C30 -173.2(16) . . . . ?
P1 C27 C32A C31 128(4) . . . . ?
P1 C27 C32A C31A -167.7(18) . . . . ?
P1 C27 C32A C32 36(4) . . . . ?
P1 C27A C28 P1A -17.8(8) . . . . ?
P1 C27A C28 C27 122(13) . . . . ?
P1 C27A C28 C28A -69(8) . . . . ?
P1 C27A C28 C29 175.6(13) . . . . ?
P1 C27A C28 C29A -178.3(18) . . . . ?
P1 C27A C28 C32A 153(3) . . . . ?
P1 C27A C28A C27 154(29) . . . . ?
P1 C27A C28A C28 121(7) . . . . ?
P1 C27A C28A C29 173.2(13) . . . . ?
P1 C27A C28A C29A 170.4(11) . . . . ?
P1 C27A C32 C27 -2(3) . . . . ?
P1 C27A C32 C31 -178.7(12) . . . . ?
P1 C27A C32 C31A -167.6(8) . . . . ?
P1 C27A C32 C32A -151(3) . . . . ?
P1 C27A C32A C27 8(2) . . . . ?
P1 C27A C32A C28 -161(2) . . . . ?
P1 C27A C32A C30 -179.5(8) . . . . ?
P1 C27A C32A C31 155(2) . . . . ?
P1 C27A C32A C31A -174.4(12) . . . . ?
P1 C27A C32A C32 31(3) . . . . ?
P1 C33 C33A P1A -0.3(3) . . . . ?
P1 C33 C33A C34 -157(2) . . . . ?
P1 C33 C33A C34A -139.3(9) . . . . ?
P1 C33 C34 P2 -113.9(9) . . . . ?
P1 C33 C34 C33A 26(3) . . . . ?
P1 C33 C34 C34A -132.3(11) . . . . ?
P1 C33 C34A P2 39(3) . . . . ?
P1 C33 C34A C33A 80.2(15) . . . . ?
P1 C33 C34A C34 88.5(17) . . . . ?
P1 C33 C34A C41 -124.1(15) . . . . ?
P1 C33A C34 P2 26(7) . . . . ?
P1 C33A C34 C33 -43(4) . . . . ?
P1 C33A C34 C34A -23(5) . . . . ?
P1 C33A C34A P2 129.4(4) . . . . ?
P1 C33A C34A C33 -31.0(7) . . . . ?
P1 C33A C34A C34 170(2) . . . . ?
P1 C33A C34A C41 179.5(15) . . . . ?
P1A P1 C21 C21A -30(5) . . . . ?
P1A P1 C21 C22 -25(5) . . . . ?
P1A P1 C21 C22A -18(5) . . . . ?
P1A P1 C21 C25A -134(4) . . . . ?
P1A P1 C21 C26 169(3) . . . . ?
P1A P1 C21 C26A -157(3) . . . . ?
P1A P1 C21A C21 169.8(18) . . . . ?
P1A P1 C21A C22A 12.9(18) . . . . ?
P1A P1 C21A C26A -169.8(10) . . . . ?
P1A P1 C21A C33 -31.9(11) . . . . ?
P1A P1 C27 C27A 33(3) . . . . ?
P1A P1 C27 C28 41.0(12) . . . . ?
P1A P1 C27 C28A 34.6(9) . . . . ?
P1A P1 C27 C32 -145.1(14) . . . . ?
P1A P1 C27 C32A -165(3) . . . . ?
P1A P1 C33 C21A 159.5(7) . . . . ?
P1A P1 C33 C33A 0.9(8) . . . . ?
P1A P1 C33 C34 -8.3(11) . . . . ?
P1A P1 C33 C34A -69.1(16) . . . . ?
P1A C21A C22A C21 162(2) . . . . ?
P1A C21A C22A C22 176.1(10) . . . . ?
P1A C21A C22A C23A 179.2(8) . . . . ?
P1A C21A C26A P1 -2.7(3) . . . . ?
P1A C21A C26A C21 -119(4) . . . . ?
P1A C21A C26A C22 -177.0(10) . . . . ?
P1A C21A C26A C25A -178.9(8) . . . . ?
P1A C21A C26A C26 -65(4) . . . . ?
P1A C27 C27A P1 11.3(8) . . . . ?
P1A C27 C27A C28 145(11) . . . . ?
P1A C27 C27A C29 -175(2) . . . . ?
P1A C27 C27A C32 -166(3) . . . . ?
P1A C27 C27A C32A -178(2) . . . . ?
P1A C27 C28 C27A -35(11) . . . . ?
P1A C27 C28 C28A -50(8) . . . . ?
P1A C27 C28 C29 -165.6(14) . . . . ?
P1A C27 C28 C29A -164.3(19) . . . . ?
P1A C27 C28 C32A -179.8(16) . . . . ?
P1A C27 C32 C27A 160(5) . . . . ?
P1A C27 C32 C31 163.4(15) . . . . ?
P1A C27 C32 C31A 174.2(14) . . . . ?
P1A C27 C32 C32A -176(3) . . . . ?
P1A C27 C32A C27A 173(8) . . . . ?
P1A C27 C32A C28 179(100) . . . . ?
P1A C27 C32A C30 163(5) . . . . ?
P1A C27 C32A C31 104(6) . . . . ?
P1A C27 C32A C31A 169(4) . . . . ?
P1A C27 C32A C32 12(7) . . . . ?
P1A C27A C28 C27 140(13) . . . . ?
P1A C27A C28 C28A -51(8) . . . . ?
P1A C27A C28 C29 -166.6(14) . . . . ?
P1A C27A C28 C29A -161(2) . . . . ?
P1A C27A C28 C32A 171(3) . . . . ?
P1A C27A C28A C27 167(28) . . . . ?
P1A C27A C28A C28 134(7) . . . . ?
P1A C27A C28A C29 -174.1(12) . . . . ?
P1A C27A C28A C29A -176.9(11) . . . . ?
P1A C27A C32 C27 -13(3) . . . . ?
P1A C27A C32 C31 169.9(11) . . . . ?
P1A C27A C32 C31A -179.0(8) . . . . ?
P1A C27A C32 C32A -163(3) . . . . ?
P1A C27A C32A C27 -2(2) . . . . ?
P1A C27A C32A C28 -171(3) . . . . ?
P1A C27A C32A C30 170.2(9) . . . . ?
P1A C27A C32A C31 145(2) . . . . ?
P1A C27A C32A C31A 175.4(11) . . . . ?
P1A C27A C32A C32 20(3) . . . . ?
P1A C28 C28A C27 -39(6) . . . . ?
P1A C28 C28A C27A -35(6) . . . . ?
P1A C28 C28A C29 -163.6(18) . . . . ?
P1A C28 C28A C29A -171.5(11) . . . . ?
P1A C28 C29 C27A -30(3) . . . . ?
P1A C28 C29 C28A 124(5) . . . . ?
P1A C28 C29 C29A 140(4) . . . . ?
P1A C28 C29 C30 -45(5) . . . . ?
P1A C28 C29 C30A -67(6) . . . . ?
P1A C28 C29 C31A -51(5) . . . . ?
P1A C28 C29A C28A 34(4) . . . . ?
P1A C28 C29A C29 -125(6) . . . . ?
P1A C28 C29A C30 -129(5) . . . . ?
P1A C28 C29A C30A -137(5) . . . . ?
P1A C28 C32A C27 -0.2(12) . . . . ?
P1A C28 C32A C27A 5.8(17) . . . . ?
P1A C28 C32A C30 167.2(9) . . . . ?
P1A C28 C32A C31 156.0(16) . . . . ?
P1A C28 C32A C31A 174.1(10) . . . . ?
P1A C28 C32A C32 22(4) . . . . ?
P1A C33 C33A P1 0.3(3) . . . . ?
P1A C33 C33A C34 -157(2) . . . . ?
P1A C33 C33A C34A -139.0(7) . . . . ?
P1A C33 C34 P2 -116.9(7) . . . . ?
P1A C33 C34 C33A 23(2) . . . . ?
P1A C33 C34 C34A -135.3(10) . . . . ?
P1A C33 C34A P2 13(3) . . . . ?
P1A C33 C34A C33A 54.4(11) . . . . ?
P1A C33 C34A C34 62.7(13) . . . . ?
P1A C33 C34A C41 -150.0(11) . . . . ?
P1A C33A C34 P2 -5(9) . . . . ?
P1A C33A C34 C33 -74(6) . . . . ?
P1A C33A C34 C34A -54(7) . . . . ?
P1A C33A C34A P2 120.9(5) . . . . ?
P1A C33A C34A C33 -39.5(8) . . . . ?
P1A C33A C34A C34 161(3) . . . . ?
P1A C33A C34A C41 171.0(14) . . . . ?
P2 C34 C34A C33 -158.3(8) . . . . ?
P2 C34 C34A C33A -142(2) . . . . ?
P2 C34 C34A C41 43.6(9) . . . . ?
P2 C34A C41 C41A -36.6(9) . . . . ?
P2 C34A C41 C42 138.7(8) . . . . ?
P2 C34A C41 C42A -85.6(7) . . . . ?
P2 C34A C41 C46 -93.5(11) . . . . ?
P2 C35 C40A C39A 178.9(4) . . . . ?
P2 C35 C40A C36 -155.6(8) . . . . ?
P2 C35 C40A C38 -165.9(6) . . . . ?
P2 C35 C40A C39 165(2) . . . . ?
P2 C35 C36A C37A -179.0(3) . . . . ?
P2 C35 C36A C36 133.2(11) . . . . ?
P2 C35 C36A C37 159.4(5) . . . . ?
P2 C35 C36 C40A 151.3(9) . . . . ?
P2 C35 C36 C38A -174.7(4) . . . . ?
P2 C35 C36 C37A -127.0(11) . . . . ?
P2 C35 C36 C36A -68.7(14) . . . . ?
P2 C35 C36 C37 162.8(11) . . . . ?
P2 C35 C40 C39A -173.2(5) . . . . ?
P2 C35 C40 C39 -167.1(13) . . . . ?
P2 C41 C41A C42A -116.3(7) . . . . ?
P2 C41 C41A C46 -135.9(10) . . . . ?
P2 C41 C41A C46A 112.3(9) . . . . ?
P2 C41 C42 C43 -179.7(9) . . . . ?
P2 C41 C46 C41A 47.5(11) . . . . ?
P2 C41 C46 C42A -32(4) . . . . ?
P2 C41 C46 C43A 149(6) . . . . ?
P2 C41 C46 C45 179.7(12) . . . . ?
P2 C41 C46 C46A 81.4(7) . . . . ?
P2 C41A C42A C41 -58.2(6) . . . . ?
P2 C41A C42A C43A 178.8(10) . . . . ?
P2 C41A C42A C45 -129.7(8) . . . . ?
P2 C41A C42A C46 -96.2(18) . . . . ?
P2 C41A C46 C41 -41.0(8) . . . . ?
P2 C41A C46 C42A 98.4(17) . . . . ?
P2 C41A C46 C43A 150.8(8) . . . . ?
P2 C41A C46 C45 -151.4(15) . . . . ?
P2 C41A C46 C46A -152.1(15) . . . . ?
P2 C41A C46A C45A -179.5(9) . . . . ?
P2 C41A C46A C46 150.0(17) . . . . ?
P3 C61 C62 C63 176.6(4) . . . . ?
P3 C61 C66 C65 -177.7(4) . . . . ?
P3 C67 C68 C69 175.4(7) . . . . ?
P3 C67 C72 C71 -175.3(5) . . . . ?
P4 C59 C60 P3 -123.0(3) . . . . ?
C1 C2 C3 C4 -1.0(9) . . . . ?
C2 C1 C6 C5 -4.9(8) . . . . ?
C2 C3 C4 C5 -2.9(10) . . . . ?
C2 C3 C4 C7 176.3(6) . . . . ?
C3 C4 C5 C6 3.1(10) . . . . ?
C3 C4 C7 C8 -99.2(11) . . . . ?
C3 C4 C7 C8A -131(2) . . . . ?
C3 C4 C7 C9 143.0(9) . . . . ?
C3 C4 C7 C9A 106.9(14) . . . . ?
C3 C4 C7 C10 22.1(12) . . . . ?
C3 C4 C7 C10A -0.1(15) . . . . ?
C4 C5 C6 C1 0.8(10) . . . . ?
C5 C4 C7 C8 80.0(11) . . . . ?
C5 C4 C7 C8A 48(2) . . . . ?
C5 C4 C7 C9 -37.8(11) . . . . ?
C5 C4 C7 C9A -73.9(14) . . . . ?
C5 C4 C7 C10 -158.7(10) . . . . ?
C5 C4 C7 C10A 179.1(14) . . . . ?
C6 C1 C2 C3 5.1(8) . . . . ?
C7 C4 C5 C6 -176.2(6) . . . . ?
C11 C12 C13 C14 -3.6(11) . . . . ?
C11 C12A C13A C14 -14(3) . . . . ?
C12 C11 C16 C15 1.9(12) . . . . ?
C12 C13 C14 C15 3.0(11) . . . . ?
C12 C13 C14 C17 -177.4(6) . . . . ?
C12A C11 C16A C15A 6(3) . . . . ?
C12A C13A C14 C15A 14(3) . . . . ?
C12A C13A C14 C17 -173.0(18) . . . . ?
C13 C14 C15 C16 0.0(12) . . . . ?
C13 C14 C17 C18 173.8(8) . . . . ?
C13 C14 C17 C19 71.4(9) . . . . ?
C13 C14 C17 C20 -46.5(10) . . . . ?
C13A C14 C15A C16A -5(3) . . . . ?
C13A C14 C17 C18A 149.7(17) . . . . ?
C13A C14 C17 C19A -1.3(17) . . . . ?
C13A C14 C17 C20A -114.8(17) . . . . ?
C14 C15 C16 C11 -2.5(14) . . . . ?
C14 C15A C16A C11 -5(3) . . . . ?
C15 C14 C17 C18 -6.6(10) . . . . ?
C15 C14 C17 C19 -109.0(9) . . . . ?
C15 C14 C17 C20 133.1(9) . . . . ?
C15A C14 C17 C18A -38.6(16) . . . . ?
C15A C14 C17 C19A 170.4(15) . . . . ?
C15A C14 C17 C20A 56.9(16) . . . . ?
C16 C11 C12 C13 1.1(10) . . . . ?
C16A C11 C12A C13A 3(3) . . . . ?
C17 C14 C15 C16 -179.6(7) . . . . ?
C17 C14 C15A C16A -177.2(16) . . . . ?
C21 P1 P1A Cu12 173(4) . . . . ?
C21 P1 P1A C21A 21(4) . . . . ?
C21 P1 P1A C27 -60(4) . . . . ?
C21 P1 P1A C27A -69(4) . . . . ?
C21 P1 P1A C28 -81(4) . . . . ?
C21 P1 P1A C33 54(4) . . . . ?
C21 P1 P1A C33A 54(4) . . . . ?
C21 P1 C21A P1A -169.8(18) . . . . ?
C21 P1 C21A C22A -157(2) . . . . ?
C21 P1 C21A C26A 20.4(18) . . . . ?
C21 P1 C21A C33 158.3(19) . . . . ?
C21 P1 C27 P1A 168.5(10) . . . . ?
C21 P1 C27 C27A -159(3) . . . . ?
C21 P1 C27 C28 -150.4(14) . . . . ?
C21 P1 C27 C28A -156.9(11) . . . . ?
C21 P1 C27 C32 23.4(15) . . . . ?
C21 P1 C27 C32A 4(3) . . . . ?
C21 P1 C33 P1A -169.4(9) . . . . ?
C21 P1 C33 C21A -9.9(9) . . . . ?
C21 P1 C33 C33A -168.5(10) . . . . ?
C21 P1 C33 C34 -177.7(12) . . . . ?
C21 P1 C33 C34A 121.5(16) . . . . ?
C21 C21A C22 C22A -164(2) . . . . ?
C21 C21A C22 C23 19(4) . . . . ?
C21 C21A C22 C23A -169(3) . . . . ?
C21 C21A C22 C24A 33(4) . . . . ?
C21 C21A C22 C25A 21.7(18) . . . . ?
C21 C21A C22 C26A 20.4(18) . . . . ?
C21 C21A C22A C22 14.6(19) . . . . ?
C21 C21A C22A C23A 18(2) . . . . ?
C21 C21A C26A P1 116(4) . . . . ?
C21 C21A C26A C22 -58(4) . . . . ?
C21 C21A C26A C25A -60(4) . . . . ?
C21 C21A C26A C26 54(5) . . . . ?
C21 C22 C22A C21A -8.9(11) . . . . ?
C21 C22 C22A C23A 174.9(18) . . . . ?
C21 C22 C23 C23A -174(2) . . . . ?
C21 C22 C23 C24 5(3) . . . . ?
C21 C22 C23 C25A 15(2) . . . . ?
C21 C22 C23A C22A -19(7) . . . . ?
C21 C22 C23A C23 161(7) . . . . ?
C21 C22 C23A C24A 169(7) . . . . ?
C21 C22 C24A C23A -177(2) . . . . ?
C21 C22 C24A C24 -16(4) . . . . ?
C21 C22 C24A C25A 5(2) . . . . ?
C21 C22 C25A C23 -165.9(19) . . . . ?
C21 C22 C25A C24 -153.8(17) . . . . ?
C21 C22 C25A C24A -175(2) . . . . ?
C21 C22 C25A C25 -56(3) . . . . ?
C21 C22 C25A C26 -6.4(14) . . . . ?
C21 C22 C25A C26A 11.5(13) . . . . ?
C21 C22 C26A P1 33(4) . . . . ?
C21 C22 C26A C21A 36(4) . . . . ?
C21 C22 C26A C25A -146(4) . . . . ?
C21 C22 C26A C26 -113(5) . . . . ?
C21 C22A C23A C22 3.8(14) . . . . ?
C21 C22A C23A C23 3.1(15) . . . . ?
C21 C22A C23A C24A 11.2(17) . . . . ?
C21 C25A C26 C25 -166.0(16) . . . . ?
C21 C25A C26 C26A 20.6(14) . . . . ?
C21 C25A C26A P1 22(3) . . . . ?
C21 C25A C26A C21A 29(3) . . . . ?
C21 C25A C26A C22 27(3) . . . . ?
C21 C25A C26A C26 -124(4) . . . . ?
C21 C26 C26A P1 -72(3) . . . . ?
C21 C26 C26A C21A -33(3) . . . . ?
C21 C26 C26A C22 63(4) . . . . ?
C21 C26 C26A C25A 94(4) . . . . ?
C21A P1 P1A Cu12 151.6(10) . . . . ?
C21A P1 P1A C27 -81.0(12) . . . . ?
C21A P1 P1A C27A -90.1(11) . . . . ?
C21A P1 P1A C28 -102.3(12) . . . . ?
C21A P1 P1A C33 33.1(11) . . . . ?
C21A P1 P1A C33A 32.4(13) . . . . ?
C21A P1 C21 C22 5.1(13) . . . . ?
C21A P1 C21 C22A 12.1(13) . . . . ?
C21A P1 C21 C25A -104(5) . . . . ?
C21A P1 C21 C26 -161(3) . . . . ?
C21A P1 C21 C26A -127(4) . . . . ?
C21A P1 C27 P1A 140.9(8) . . . . ?
C21A P1 C27 C27A 174(3) . . . . ?
C21A P1 C27 C28 -178.1(13) . . . . ?
C21A P1 C27 C28A 175.5(9) . . . . ?
C21A P1 C27 C32 -4.2(14) . . . . ?
C21A P1 C27 C32A -24(3) . . . . ?
C21A P1 C33 P1A -159.5(7) . . . . ?
C21A P1 C33 C33A -158.6(10) . . . . ?
C21A P1 C33 C34 -167.8(12) . . . . ?
C21A P1 C33 C34A 131.4(17) . . . . ?
C21A P1A C27 P1 -24.8(5) . . . . ?
C21A P1A C27 C27A -175(3) . . . . ?
C21A P1A C27 C28 -168.6(11) . . . . ?
C21A P1A C27 C28A -173.6(8) . . . . ?
C21A P1A C27 C32 21.2(17) . . . . ?
C21A P1A C27 C32A 12(6) . . . . ?
C21A P1A C27A P1 -26.1(5) . . . . ?
C21A P1A C27A C27 6(3) . . . . ?
C21A P1A C27A C28 -162(2) . . . . ?
C21A P1A C27A C28A -172.9(9) . . . . ?
C21A P1A C27A C29 176(2) . . . . ?
C21A P1A C27A C32 14.3(9) . . . . ?
C21A P1A C27A C32A 7.3(13) . . . . ?
C21A P1A C33 P1 14.5(5) . . . . ?
C21A P1A C33 C33A -164.6(9) . . . . ?
C21A P1A C33 C34 -172.9(10) . . . . ?
C21A P1A C33 C34A 143.5(14) . . . . ?
C21A P1A C33A P1 13.6(6) . . . . ?
C21A P1A C33A C33 14.8(9) . . . . ?
C21A P1A C33A C34 98(6) . . . . ?
C21A P1A C33A C34A 53.0(7) . . . . ?
C21A C21 C22 C22A 13.5(17) . . . . ?
C21A C21 C22 C23 -170(2) . . . . ?
C21A C21 C22 C23A 32(8) . . . . ?
C21A C21 C22 C24A -161(2) . . . . ?
C21A C21 C22 C25A -156.6(19) . . . . ?
C21A C21 C22 C26A -128(5) . . . . ?
C21A C21 C22A C22 -161(2) . . . . ?
C21A C21 C22A C23A -164.7(18) . . . . ?
C21A C21 C25A C22 40(3) . . . . ?
C21A C21 C25A C23 51(3) . . . . ?
C21A C21 C25A C24 110(4) . . . . ?
C21A C21 C25A C24A 44(4) . . . . ?
C21A C21 C25A C25 -161(3) . . . . ?
C21A C21 C25A C26 -148(4) . . . . ?
C21A C21 C25A C26A -107(5) . . . . ?
C21A C21 C26 C25 148(4) . . . . ?
C21A C21 C26 C25A 134(5) . . . . ?
C21A C21 C26 C26A 54(5) . . . . ?
C21A C21 C26A P1 -38(2) . . . . ?
C21A C21 C26A C22 101(5) . . . . ?
C21A C21 C26A C25A 133(3) . . . . ?
C21A C21 C26A C26 -152(3) . . . . ?
C21A C22 C22A C21 8.9(11) . . . . ?
C21A C22 C22A C23A -176.2(13) . . . . ?
C21A C22 C23 C23A 174(4) . . . . ?
C21A C22 C23 C24 -7(5) . . . . ?
C21A C22 C23 C25A 3(4) . . . . ?
C21A C22 C23A C22A 4.2(15) . . . . ?
C21A C22 C23A C23 -176(2) . . . . ?
C21A C22 C23A C24A -168(3) . . . . ?
C21A C22 C24A C23A 164(4) . . . . ?
C21A C22 C24A C24 -36(5) . . . . ?
C21A C22 C24A C25A -15(4) . . . . ?
C21A C22 C25A C21 -12.8(11) . . . . ?
C21A C22 C25A C23 -178.7(17) . . . . ?
C21A C22 C25A C24 -166.7(12) . . . . ?
C21A C22 C25A C24A 172(2) . . . . ?
C21A C22 C25A C25 -69(3) . . . . ?
C21A C22 C25A C26 -19.2(12) . . . . ?
C21A C22 C25A C26A -1.3(8) . . . . ?
C21A C22 C26A P1 -3.3(6) . . . . ?
C21A C22 C26A C21 -36(4) . . . . ?
C21A C22 C26A C25A 178.3(11) . . . . ?
C21A C22 C26A C26 -149.1(19) . . . . ?
C21A C22A C23A C22 -4.2(14) . . . . ?
C21A C22A C23A C23 -4.9(18) . . . . ?
C21A C22A C23A C24A 3.2(19) . . . . ?
C21A C33 C33A P1 -17.5(8) . . . . ?
C21A C33 C33A P1A -17.8(10) . . . . ?
C21A C33 C33A C34 -175(2) . . . . ?
C21A C33 C33A C34A -156.8(15) . . . . ?
C21A C33 C34 P2 -131(2) . . . . ?
C21A C33 C34 C33A 9(4) . . . . ?
C21A C33 C34 C34A -149(2) . . . . ?
C21A C33 C34A P2 104(2) . . . . ?
C21A C33 C34A C33A 145(2) . . . . ?
C21A C33 C34A C34 153(2) . . . . ?
C21A C33 C34A C41 -60(3) . . . . ?
C22 C21 C21A P1 -175.8(10) . . . . ?
C22 C21 C21A P1A -172.8(11) . . . . ?
C22 C21 C21A C22A -12.7(16) . . . . ?
C22 C21 C21A C26A 113(4) . . . . ?
C22 C21 C21A C33 98(4) . . . . ?
C22 C21 C22A C21A 161(2) . . . . ?
C22 C21 C22A C23A -3.7(13) . . . . ?
C22 C21 C25A C23 10.6(14) . . . . ?
C22 C21 C25A C24 70(4) . . . . ?
C22 C21 C25A C24A 4.2(18) . . . . ?
C22 C21 C25A C25 158.3(15) . . . . ?
C22 C21 C25A C26 172.1(17) . . . . ?
C22 C21 C25A C26A -147(4) . . . . ?
C22 C21 C26 C25 6(3) . . . . ?
C22 C21 C26 C25A -7.9(17) . . . . ?
C22 C21 C26 C26A -88(4) . . . . ?
C22 C21 C26A P1 -140(4) . . . . ?
C22 C21 C26A C21A -101(5) . . . . ?
C22 C21 C26A C25A 31(4) . . . . ?
C22 C21 C26A C26 106(3) . . . . ?
C22 C21A C22A C21 -14.6(19) . . . . ?
C22 C21A C22A C23A 3.1(11) . . . . ?
C22 C21A C26A P1 174.2(10) . . . . ?
C22 C21A C26A C21 58(4) . . . . ?
C22 C21A C26A C25A -1.9(12) . . . . ?
C22 C21A C26A C26 112(4) . . . . ?
C22 C22A C23A C23 -0.7(15) . . . . ?
C22 C22A C23A C24A 7.4(17) . . . . ?
C22 C23 C23A C22A 0.7(15) . . . . ?
C22 C23 C23A C24A -85(10) . . . . ?
C22 C23 C24 C24A 94(10) . . . . ?
C22 C23 C24 C25 -1(3) . . . . ?
C22 C23 C24 C25A 13.1(19) . . . . ?
C22 C23 C25A C21 -10.8(14) . . . . ?
C22 C23 C25A C24 -168.8(16) . . . . ?
C22 C23 C25A C24A 132(10) . . . . ?
C22 C23 C25A C25 -147.2(19) . . . . ?
C22 C23 C25A C26 -37(3) . . . . ?
C22 C23 C25A C26A -2.6(15) . . . . ?
C22 C23A C24A C24 -58(6) . . . . ?
C22 C23A C24A C25A 2(2) . . . . ?
C22 C24A C25A C21 -3.9(17) . . . . ?
C22 C24A C25A C23 -42(9) . . . . ?
C22 C24A C25A C24 -160(2) . . . . ?
C22 C24A C25A C25 -151.1(19) . . . . ?
C22 C24A C25A C26 -27(4) . . . . ?
C22 C24A C25A C26A 7(2) . . . . ?
C22 C25A C26 C21 6.2(13) . . . . ?
C22 C25A C26 C25 -159.8(14) . . . . ?
C22 C25A C26 C26A 26.8(14) . . . . ?
C22 C25A C26A P1 -5(3) . . . . ?
C22 C25A C26A C21 -27(3) . . . . ?
C22 C25A C26A C21A 1.9(12) . . . . ?
C22 C25A C26A C26 -151.3(16) . . . . ?
C22A C21 C21A P1 -163.1(18) . . . . ?
C22A C21 C21A P1A -160(2) . . . . ?
C22A C21 C21A C22 12.7(16) . . . . ?
C22A C21 C21A C26A 126(4) . . . . ?
C22A C21 C21A C33 110(4) . . . . ?
C22A C21 C22 C21A -13.5(17) . . . . ?
C22A C21 C22 C23 176(2) . . . . ?
C22A C21 C22 C23A 18(7) . . . . ?
C22A C21 C22 C24A -174(2) . . . . ?
C22A C21 C22 C25A -170.1(13) . . . . ?
C22A C21 C22 C26A -142(4) . . . . ?
C22A C21 C25A C22 6.9(9) . . . . ?
C22A C21 C25A C23 17.6(15) . . . . ?
C22A C21 C25A C24 77(4) . . . . ?
C22A C21 C25A C24A 11.2(19) . . . . ?
C22A C21 C25A C25 165.2(12) . . . . ?
C22A C21 C25A C26 179.0(17) . . . . ?
C22A C21 C25A C26A -140(4) . . . . ?
C22A C21 C26 C25 11(6) . . . . ?
C22A C21 C26 C25A -3(5) . . . . ?
C22A C21 C26 C26A -83(5) . . . . ?
C22A C21 C26A P1 -100(6) . . . . ?
C22A C21 C26A C21A -62(5) . . . . ?
C22A C21 C26A C22 40(3) . . . . ?
C22A C21 C26A C25A 71(5) . . . . ?
C22A C21 C26A C26 146(3) . . . . ?
C22A C21A C22 C21 164(2) . . . . ?
C22A C21A C22 C23 -177(4) . . . . ?
C22A C21A C22 C23A -4.9(17) . . . . ?
C22A C21A C22 C24A -163(4) . . . . ?
C22A C21A C22 C25A -174.5(14) . . . . ?
C22A C21A C22 C26A -175.8(12) . . . . ?
C22A C21A C26A P1 177.8(13) . . . . ?
C22A C21A C26A C21 62(4) . . . . ?
C22A C21A C26A C22 3.6(10) . . . . ?
C22A C21A C26A C25A 1.7(16) . . . . ?
C22A C21A C26A C26 116(3) . . . . ?
C22A C22 C23 C23A -1(3) . . . . ?
C22A C22 C23 C24 177(2) . . . . ?
C22A C22 C23 C25A -172(3) . . . . ?
C22A C22 C23A C23 179.3(15) . . . . ?
C22A C22 C23A C24A -172.5(17) . . . . ?
C22A C22 C24A C23A 16(4) . . . . ?
C22A C22 C24A C24 177(3) . . . . ?
C22A C22 C24A C25A -162(4) . . . . ?
C22A C22 C25A C21 -24(3) . . . . ?
C22A C22 C25A C23 170(4) . . . . ?
C22A C22 C25A C24 -178(3) . . . . ?
C22A C22 C25A C24A 161(4) . . . . ?
C22A C22 C25A C25 -80(5) . . . . ?
C22A C22 C25A C26 -30(4) . . . . ?
C22A C22 C25A C26A -12(3) . . . . ?
C22A C22 C26A P1 -6.9(12) . . . . ?
C22A C22 C26A C21 -40(4) . . . . ?
C22A C22 C26A C21A -3.6(10) . . . . ?
C22A C22 C26A C25A 174.7(14) . . . . ?
C22A C22 C26A C26 -152.8(18) . . . . ?
C22A C23A C24A C22 -7.3(17) . . . . ?
C22A C23A C24A C24 -65(7) . . . . ?
C22A C23A C24A C25A -6(3) . . . . ?
C23 C22 C22A C21 -174(4) . . . . ?
C23 C22 C22A C21A 178(3) . . . . ?
C23 C22 C22A C23A 1(3) . . . . ?
C23 C22 C23A C22A -179.3(15) . . . . ?
C23 C22 C23A C24A 8(2) . . . . ?
C23 C22 C24A C23A -52(9) . . . . ?
C23 C22 C24A C24 109(11) . . . . ?
C23 C22 C24A C25A 130(10) . . . . ?
C23 C22 C25A C21 165.9(19) . . . . ?
C23 C22 C25A C24 12.0(18) . . . . ?
C23 C22 C25A C24A -9(3) . . . . ?
C23 C22 C25A C25 110(3) . . . . ?
C23 C22 C25A C26 159.5(15) . . . . ?
C23 C22 C25A C26A 177.4(15) . . . . ?
C23 C22 C26A P1 176.2(13) . . . . ?
C23 C22 C26A C21 143(4) . . . . ?
C23 C22 C26A C21A 179.5(16) . . . . ?
C23 C22 C26A C25A -2.2(13) . . . . ?
C23 C22 C26A C26 30(2) . . . . ?
C23 C23A C24A C22 91(11) . . . . ?
C23 C23A C24A C24 33(8) . . . . ?
C23 C23A C24A C25A 92(11) . . . . ?
C23 C24 C24A C22 -69(9) . . . . ?
C23 C24 C24A C23A -25(6) . . . . ?
C23 C24 C24A C25A -94(9) . . . . ?
C23 C24 C25 C25A 15.1(14) . . . . ?
C23 C24 C25 C26 0(2) . . . . ?
C23 C24 C25A C21 -64(4) . . . . ?
C23 C24 C25A C22 -9.5(14) . . . . ?
C23 C24 C25A C24A 10(2) . . . . ?
C23 C24 C25A C25 -163.6(15) . . . . ?
C23 C24 C25A C26 -146.9(18) . . . . ?
C23 C24 C25A C26A -119(6) . . . . ?
C23 C25A C26 C21 34(3) . . . . ?
C23 C25A C26 C25 -132(2) . . . . ?
C23 C25A C26 C26A 54(3) . . . . ?
C23 C25A C26A P1 -2(3) . . . . ?
C23 C25A C26A C21 -25(4) . . . . ?
C23 C25A C26A C21A 4.0(18) . . . . ?
C23 C25A C26A C22 2.1(13) . . . . ?
C23 C25A C26A C26 -149.2(17) . . . . ?
C23A C22 C22A C21 -174.9(18) . . . . ?
C23A C22 C22A C21A 176.2(13) . . . . ?
C23A C22 C23 C24 179(2) . . . . ?
C23A C22 C23 C25A -170.9(15) . . . . ?
C23A C22 C24A C24 160(3) . . . . ?
C23A C22 C24A C25A -178.4(19) . . . . ?
C23A C22 C25A C21 177(3) . . . . ?
C23A C22 C25A C23 11.2(19) . . . . ?
C23A C22 C25A C24 23(3) . . . . ?
C23A C22 C25A C24A 2(2) . . . . ?
C23A C22 C25A C25 121(3) . . . . ?
C23A C22 C25A C26 170.7(19) . . . . ?
C23A C22 C25A C26A -171(2) . . . . ?
C23A C23 C25A C21 -19(2) . . . . ?
C23A C23 C25A C22 -7.8(13) . . . . ?
C23A C23 C25A C24 -177(2) . . . . ?
C23A C23 C25A C24A 124(11) . . . . ?
C23A C23 C25A C25 -155.0(18) . . . . ?
C23A C23 C25A C26 -45(3) . . . . ?
C23A C23 C25A C26A -10(2) . . . . ?
C23A C24A C25A C21 -5(3) . . . . ?
C23A C24A C25A C22 -1.2(14) . . . . ?
C23A C24A C25A C23 -44(8) . . . . ?
C23A C24A C25A C24 -161(3) . . . . ?
C23A C24A C25A C25 -152.3(17) . . . . ?
C23A C24A C25A C26 -29(5) . . . . ?
C23A C24A C25A C26A 6(3) . . . . ?
C24 C23 C25A C21 158.0(14) . . . . ?
C24 C23 C25A C22 168.8(16) . . . . ?
C24 C23 C25A C24A -59(9) . . . . ?
C24 C23 C25A C25 21.6(19) . . . . ?
C24 C23 C25A C26 132(2) . . . . ?
C24 C23 C25A C26A 166.2(14) . . . . ?
C24 C24A C25A C21 155.7(15) . . . . ?
C24 C24A C25A C22 160(2) . . . . ?
C24 C24A C25A C23 117(10) . . . . ?
C24 C24A C25A C25 8(2) . . . . ?
C24 C24A C25A C26 132(4) . . . . ?
C24 C24A C25A C26A 166.8(15) . . . . ?
C24 C25 C25A C21 -153.4(15) . . . . ?
C24 C25 C25A C22 -109(3) . . . . ?
C24 C25 C25A C23 -22(2) . . . . ?
C24 C25 C25A C24A -8(2) . . . . ?
C24 C25 C25A C26 -165.5(15) . . . . ?
C24 C25 C25A C26A -169.8(13) . . . . ?
C24 C25 C26 C21 -3(3) . . . . ?
C24 C25 C26 C25A 14.0(14) . . . . ?
C24 C25 C26 C26A 22(3) . . . . ?
C24 C25A C26 C21 148.8(19) . . . . ?
C24 C25A C26 C25 -17.2(17) . . . . ?
C24 C25A C26 C26A 169.4(18) . . . . ?
C24 C25A C26A P1 111(6) . . . . ?
C24 C25A C26A C21 89(7) . . . . ?
C24 C25A C26A C21A 118(6) . . . . ?
C24 C25A C26A C22 116(6) . . . . ?
C24 C25A C26A C26 -36(6) . . . . ?
C24A C22 C22A C21 169(5) . . . . ?
C24A C22 C22A C21A 160(4) . . . . ?
C24A C22 C22A C23A -17(4) . . . . ?
C24A C22 C23 C23A 126(10) . . . . ?
C24A C22 C23 C24 -55(9) . . . . ?
C24A C22 C23 C25A -45(9) . . . . ?
C24A C22 C23A C22A 172.5(17) . . . . ?
C24A C22 C23A C23 -8(2) . . . . ?
C24A C22 C25A C21 175(2) . . . . ?
C24A C22 C25A C23 9(3) . . . . ?
C24A C22 C25A C24 21(2) . . . . ?
C24A C22 C25A C25 119(3) . . . . ?
C24A C22 C25A C26 169(2) . . . . ?
C24A C22 C25A C26A -173(2) . . . . ?
C24A C22 C26A P1 -176.5(15) . . . . ?
C24A C22 C26A C21 151(4) . . . . ?
C24A C22 C26A C21A -173.1(17) . . . . ?
C24A C22 C26A C25A 5.1(15) . . . . ?
C24A C22 C26A C26 38(2) . . . . ?
C24A C24 C25 C25A 6.2(18) . . . . ?
C24A C24 C25 C26 -9(3) . . . . ?
C24A C24 C25A C21 -74(4) . . . . ?
C24A C24 C25A C22 -19.2(18) . . . . ?
C24A C24 C25A C23 -10(2) . . . . ?
C24A C24 C25A C25 -173(2) . . . . ?
C24A C24 C25A C26 -157(2) . . . . ?
C24A C24 C25A C26A -128(6) . . . . ?
C24A C25A C26 C21 29(4) . . . . ?
C24A C25A C26 C25 -137(4) . . . . ?
C24A C25A C26 C26A 50(4) . . . . ?
C24A C25A C26A P1 -11(4) . . . . ?
C24A C25A C26A C21 -33(4) . . . . ?
C24A C25A C26A C21A -5(2) . . . . ?
C24A C25A C26A C22 -6.5(19) . . . . ?
C24A C25A C26A C26 -158(2) . . . . ?
C25 C24 C24A C22 19(4) . . . . ?
C25 C24 C24A C23A 63(7) . . . . ?
C25 C24 C24A C25A -6.0(18) . . . . ?
C25 C24 C25A C21 99(3) . . . . ?
C25 C24 C25A C22 154.1(16) . . . . ?
C25 C24 C25A C23 163.6(15) . . . . ?
C25 C24 C25A C24A 173(2) . . . . ?
C25 C24 C25A C26 16.7(17) . . . . ?
C25 C24 C25A C26A 45(6) . . . . ?
C25 C25A C26 C21 166.0(16) . . . . ?
C25 C25A C26 C26A -173.4(17) . . . . ?
C25 C25A C26A P1 153(2) . . . . ?
C25 C25A C26A C21 130(3) . . . . ?
C25 C25A C26A C21A 159.3(13) . . . . ?
C25 C25A C26A C22 157.4(14) . . . . ?
C25 C25A C26A C26 6.1(16) . . . . ?
C25 C26 C26A P1 -172.8(12) . . . . ?
C25 C26 C26A C21 -100(4) . . . . ?
C25 C26 C26A C21A -133(3) . . . . ?
C25 C26 C26A C22 -37(3) . . . . ?
C25 C26 C26A C25A -6.4(17) . . . . ?
C25A C21 C21A P1 149(2) . . . . ?
C25A C21 C21A P1A 152.0(19) . . . . ?
C25A C21 C21A C22 -35(2) . . . . ?
C25A C21 C21A C22A -48(3) . . . . ?
C25A C21 C21A C26A 78(5) . . . . ?
C25A C21 C21A C33 62(6) . . . . ?
C25A C21 C22 C21A 156.6(19) . . . . ?
C25A C21 C22 C22A 170.1(13) . . . . ?
C25A C21 C22 C23 -13.9(18) . . . . ?
C25A C21 C22 C23A -172(7) . . . . ?
C25A C21 C22 C24A -4.2(18) . . . . ?
C25A C21 C22 C26A 28(4) . . . . ?
C25A C21 C22A C21A 152(2) . . . . ?
C25A C21 C22A C22 -9.2(12) . . . . ?
C25A C21 C22A C23A -12.8(13) . . . . ?
C25A C21 C26 C25 13.7(16) . . . . ?
C25A C21 C26 C26A -80(4) . . . . ?
C25A C21 C26A P1 -171.0(9) . . . . ?
C25A C21 C26A C21A -133(3) . . . . ?
C25A C21 C26A C22 -31(4) . . . . ?
C25A C21 C26A C26 75(3) . . . . ?
C25A C22 C22A C21 22(3) . . . . ?
C25A C22 C22A C21A 13(3) . . . . ?
C25A C22 C22A C23A -163(4) . . . . ?
C25A C22 C23 C23A 170.9(15) . . . . ?
C25A C22 C23 C24 -10.4(15) . . . . ?
C25A C22 C23A C22A 171(2) . . . . ?
C25A C22 C23A C23 -9.8(16) . . . . ?
C25A C22 C23A C24A -1.6(18) . . . . ?
C25A C22 C24A C23A 178.4(19) . . . . ?
C25A C22 C24A C24 -21(2) . . . . ?
C25A C22 C26A P1 178.4(9) . . . . ?
C25A C22 C26A C21 146(4) . . . . ?
C25A C22 C26A C21A -178.3(11) . . . . ?
C25A C22 C26A C26 32.6(18) . . . . ?
C25A C23 C23A C22 10.3(17) . . . . ?
C25A C23 C23A C22A 11(2) . . . . ?
C25A C23 C23A C24A -75(10) . . . . ?
C25A C23 C24 C24A 81(10) . . . . ?
C25A C23 C24 C25 -14.5(14) . . . . ?
C25A C24 C24A C22 25(2) . . . . ?
C25A C24 C24A C23A 69(6) . . . . ?
C25A C24 C25 C26 -14.9(15) . . . . ?
C25A C25 C26 C21 -17(2) . . . . ?
C25A C25 C26 C26A 8(2) . . . . ?
C25A C26 C26A P1 -166.4(13) . . . . ?
C25A C26 C26A C21 -94(4) . . . . ?
C25A C26 C26A C21A -127(3) . . . . ?
C25A C26 C26A C22 -30.7(15) . . . . ?
C26 C21 C21A P1 38(6) . . . . ?
C26 C21 C21A P1A 41(6) . . . . ?
C26 C21 C21A C22 -146(6) . . . . ?
C26 C21 C21A C22A -159(4) . . . . ?
C26 C21 C21A C26A -34(3) . . . . ?
C26 C21 C21A C33 -49(8) . . . . ?
C26 C21 C22 C21A 164(3) . . . . ?
C26 C21 C22 C22A 177.1(18) . . . . ?
C26 C21 C22 C23 -7(3) . . . . ?
C26 C21 C22 C23A -165(6) . . . . ?
C26 C21 C22 C24A 3(3) . . . . ?
C26 C21 C22 C25A 7.1(15) . . . . ?
C26 C21 C22 C26A 35(3) . . . . ?
C26 C21 C22A C21A 154(6) . . . . ?
C26 C21 C22A C22 -7(4) . . . . ?
C26 C21 C22A C23A -11(5) . . . . ?
C26 C21 C25A C22 -172.1(17) . . . . ?
C26 C21 C25A C23 -161.4(15) . . . . ?
C26 C21 C25A C24 -102(3) . . . . ?
C26 C21 C25A C24A -167.8(19) . . . . ?
C26 C21 C25A C25 -13.8(16) . . . . ?
C26 C21 C25A C26A 41(3) . . . . ?
C26 C21 C26A P1 114(3) . . . . ?
C26 C21 C26A C21A 152(3) . . . . ?
C26 C21 C26A C22 -106(3) . . . . ?
C26 C21 C26A C25A -75(3) . . . . ?
C26 C25 C25A C21 12.1(14) . . . . ?
C26 C25 C25A C22 56(3) . . . . ?
C26 C25 C25A C23 143.4(19) . . . . ?
C26 C25 C25A C24 165.5(15) . . . . ?
C26 C25 C25A C24A 157(2) . . . . ?
C26 C25 C25A C26A -4.2(11) . . . . ?
C26 C25A C26A P1 147(3) . . . . ?
C26 C25A C26A C21 124(4) . . . . ?
C26 C25A C26A C21A 153.2(19) . . . . ?
C26 C25A C26A C22 151.3(16) . . . . ?
C26A P1 C21 C21A 127(4) . . . . ?
C26A P1 C21 C22 132(5) . . . . ?
C26A P1 C21 C22A 139(4) . . . . ?
C26A P1 C21 C25A 23(3) . . . . ?
C26A P1 C21 C26 -34(3) . . . . ?
C26A P1 C21A P1A 169.8(10) . . . . ?
C26A P1 C21A C21 -20.4(18) . . . . ?
C26A P1 C21A C22A -177.3(16) . . . . ?
C26A P1 C21A C33 137.9(9) . . . . ?
C26A P1 C27 P1A 178.3(8) . . . . ?
C26A P1 C27 C27A -149(3) . . . . ?
C26A P1 C27 C28 -140.7(12) . . . . ?
C26A P1 C27 C28A -147.1(8) . . . . ?
C26A P1 C27 C32 33.2(15) . . . . ?
C26A P1 C27 C32A 14(3) . . . . ?
C26A P1 C33 P1A 174.8(6) . . . . ?
C26A P1 C33 C21A -25.7(6) . . . . ?
C26A P1 C33 C33A 175.7(8) . . . . ?
C26A P1 C33 C34 166.4(10) . . . . ?
C26A P1 C33 C34A 105.7(15) . . . . ?
C26A C21 C21A P1 71(4) . . . . ?
C26A C21 C21A P1A 74(5) . . . . ?
C26A C21 C21A C22 -113(4) . . . . ?
C26A C21 C21A C22A -126(4) . . . . ?
C26A C21 C21A C33 -15(7) . . . . ?
C26A C21 C22 C21A 128(5) . . . . ?
C26A C21 C22 C22A 142(4) . . . . ?
C26A C21 C22 C23 -42(5) . . . . ?
C26A C21 C22 C23A 160(6) . . . . ?
C26A C21 C22 C24A -33(5) . . . . ?
C26A C21 C22 C25A -28(4) . . . . ?
C26A C21 C22A C21A 99(6) . . . . ?
C26A C21 C22A C22 -62(5) . . . . ?
C26A C21 C22A C23A -66(5) . . . . ?
C26A C21 C25A C22 147(4) . . . . ?
C26A C21 C25A C23 157(3) . . . . ?
C26A C21 C25A C24 -143(4) . . . . ?
C26A C21 C25A C24A 151(4) . . . . ?
C26A C21 C25A C25 -55(4) . . . . ?
C26A C21 C25A C26 -41(3) . . . . ?
C26A C21 C26 C25 94(4) . . . . ?
C26A C21 C26 C25A 80(4) . . . . ?
C26A C21A C22 C21 -20.4(18) . . . . ?
C26A C21A C22 C22A 175.8(12) . . . . ?
C26A C21A C22 C23 -1(4) . . . . ?
C26A C21A C22 C23A 171(2) . . . . ?
C26A C21A C22 C24A 13(3) . . . . ?
C26A C21A C22 C25A 1.4(8) . . . . ?
C26A C21A C22A C21 -19.1(17) . . . . ?
C26A C21A C22A C22 -4.5(12) . . . . ?
C26A C21A C22A C23A -1.3(15) . . . . ?
C26A C22 C22A C21 12.1(11) . . . . ?
C26A C22 C22A C21A 3.2(9) . . . . ?
C26A C22 C22A C23A -173.0(17) . . . . ?
C26A C22 C23 C23A 172.9(18) . . . . ?
C26A C22 C23 C24 -8(2) . . . . ?
C26A C22 C23 C25A 2.1(12) . . . . ?
C26A C22 C24A C23A 173.2(17) . . . . ?
C26A C22 C24A C24 -27(3) . . . . ?
C26A C22 C24A C25A -5.2(15) . . . . ?
C26A C22 C25A C21 -11.5(13) . . . . ?
C26A C22 C25A C23 -177.4(15) . . . . ?
C26A C22 C25A C24 -165.4(15) . . . . ?
C26A C22 C25A C24A 173(2) . . . . ?
C26A C22 C25A C25 -67(3) . . . . ?
C26A C22 C25A C26 -18.0(9) . . . . ?
C26A C25A C26 C21 -20.6(14) . . . . ?
C26A C25A C26 C25 173.4(17) . . . . ?
C27 P1 P1A Cu12 -127.4(5) . . . . ?
C27 P1 P1A C21A 81.0(12) . . . . ?
C27 P1 P1A C27A -9.2(7) . . . . ?
C27 P1 P1A C28 -21.4(7) . . . . ?
C27 P1 P1A C33 114.1(7) . . . . ?
C27 P1 P1A C33A 113.4(8) . . . . ?
C27 P1 C21 C21A -85.8(18) . . . . ?
C27 P1 C21 C22 -80.7(19) . . . . ?
C27 P1 C21 C22A -73.7(9) . . . . ?
C27 P1 C21 C25A 170(5) . . . . ?
C27 P1 C21 C26 112.8(16) . . . . ?
C27 P1 C21 C26A 147(3) . . . . ?
C27 P1 C21A P1A -68.7(11) . . . . ?
C27 P1 C21A C21 101.1(18) . . . . ?
C27 P1 C21A C22A -55.8(12) . . . . ?
C27 P1 C21A C26A 121.5(8) . . . . ?
C27 P1 C21A C33 -100.6(7) . . . . ?
C27 P1 C33 P1A -59.7(6) . . . . ?
C27 P1 C33 C21A 99.8(7) . . . . ?
C27 P1 C33 C33A -58.8(10) . . . . ?
C27 P1 C33 C34 -68.0(12) . . . . ?
C27 P1 C33 C34A -128.8(15) . . . . ?
C27 P1A C21A P1 98.8(12) . . . . ?
C27 P1A C21A C21 87(2) . . . . ?
C27 P1A C21A C22A -70.4(9) . . . . ?
C27 P1A C21A C26A 110.1(9) . . . . ?
C27 P1A C21A C33 -117.4(7) . . . . ?
C27 P1A C27A P1 -32(3) . . . . ?
C27 P1A C27A C28 -168(4) . . . . ?
C27 P1A C27A C28A -179(3) . . . . ?
C27 P1A C27A C29 171(5) . . . . ?
C27 P1A C27A C32 9(2) . . . . ?
C27 P1A C27A C32A 2(2) . . . . ?
C27 P1A C33 P1 90.9(7) . . . . ?
C27 P1A C33 C21A 76.4(7) . . . . ?
C27 P1A C33 C33A -88.2(9) . . . . ?
C27 P1A C33 C34 -96.5(10) . . . . ?
C27 P1A C33 C34A -140.1(12) . . . . ?
C27 P1A C33A P1 106.0(9) . . . . ?
C27 P1A C33A C33 107.1(10) . . . . ?
C27 P1A C33A C34 -170(6) . . . . ?
C27 P1A C33A C34A 145.3(8) . . . . ?
C27 C27A C28 P1A -140(13) . . . . ?
C27 C27A C28 C28A 169(9) . . . . ?
C27 C27A C28 C29 54(12) . . . . ?
C27 C27A C28 C29A 60(13) . . . . ?
C27 C27A C28 C32A 31(11) . . . . ?
C27 C27A C32 C31 -177(4) . . . . ?
C27 C27A C32 C31A -166(4) . . . . ?
C27 C27A C32 C32A -149(5) . . . . ?
C27 C27A C32A C28 -169(4) . . . . ?
C27 C27A C32A C30 172(3) . . . . ?
C27 C27A C32A C31 147(4) . . . . ?
C27 C27A C32A C31A 177(3) . . . . ?
C27 C27A C32A C32 22(4) . . . . ?
C27 C28 C28A C27A 4(3) . . . . ?
C27 C28 C28A C29 -124(7) . . . . ?
C27 C28 C28A C29A -132(7) . . . . ?
C27 C28 C29 C27A 7.0(19) . . . . ?
C27 C28 C29 C28A 161(3) . . . . ?
C27 C28 C29 C29A 178(3) . . . . ?
C27 C28 C29 C30 -8(3) . . . . ?
C27 C28 C29 C30A -30(4) . . . . ?
C27 C28 C29 C31A -14(2) . . . . ?
C27 C28 C29A C28A 156(4) . . . . ?
C27 C28 C29A C29 -3(4) . . . . ?
C27 C28 C29A C30 -7(2) . . . . ?
C27 C28 C29A C30A -15(3) . . . . ?
C27 C28 C32A C27A 6(2) . . . . ?
C27 C28 C32A C30 167.4(16) . . . . ?
C27 C28 C32A C31 156(2) . . . . ?
C27 C28 C32A C31A 174.2(18) . . . . ?
C27 C28 C32A C32 23(4) . . . . ?
C27 C28A C29 C27A 0.6(8) . . . . ?
C27 C28A C29 C28 -11(2) . . . . ?
C27 C28A C29 C29A -174(3) . . . . ?
C27 C28A C29 C30 5(3) . . . . ?
C27 C28A C29 C30A -46(11) . . . . ?
C27 C28A C29 C31A -4.9(18) . . . . ?
C27 C28A C29A C28 -11(2) . . . . ?
C27 C28A C29A C29 7(3) . . . . ?
C27 C28A C29A C30 6.5(16) . . . . ?
C27 C28A C29A C30A -1(2) . . . . ?
C27 C32 C32A C27A -8.9(14) . . . . ?
C27 C32 C32A C28 -17(3) . . . . ?
C27 C32 C32A C30 -151(3) . . . . ?
C27 C32 C32A C31 -159.6(19) . . . . ?
C27 C32 C32A C31A -166(3) . . . . ?
C27A P1 P1A Cu12 -118.2(5) . . . . ?
C27A P1 P1A C21A 90.1(11) . . . . ?
C27A P1 P1A C27 9.2(7) . . . . ?
C27A P1 P1A C28 -12.2(7) . . . . ?
C27A P1 P1A C33 123.2(6) . . . . ?
C27A P1 P1A C33A 122.5(7) . . . . ?
C27A P1 C21 C21A -91.5(18) . . . . ?
C27A P1 C21 C22 -86.5(19) . . . . ?
C27A P1 C21 C22A -79.5(10) . . . . ?
C27A P1 C21 C25A 164(4) . . . . ?
C27A P1 C21 C26 107.0(16) . . . . ?
C27A P1 C21 C26A 141(3) . . . . ?
C27A P1 C21A P1A -66.9(10) . . . . ?
C27A P1 C21A C21 102.9(18) . . . . ?
C27A P1 C21A C22A -54.0(13) . . . . ?
C27A P1 C21A C26A 123.3(8) . . . . ?
C27A P1 C21A C33 -98.8(7) . . . . ?
C27A P1 C27 P1A -33(3) . . . . ?
C27A P1 C27 C28 8(2) . . . . ?
C27A P1 C27 C28A 2(2) . . . . ?
C27A P1 C27 C32 -178(4) . . . . ?
C27A P1 C27 C32A 163(5) . . . . ?
C27A P1 C33 P1A -45.2(5) . . . . ?
C27A P1 C33 C21A 114.3(6) . . . . ?
C27A P1 C33 C33A -44.3(9) . . . . ?
C27A P1 C33 C34 -53.6(11) . . . . ?
C27A P1 C33 C34A -114.4(15) . . . . ?
C27A P1A C21A P1 97.1(12) . . . . ?
C27A P1A C21A C21 85(2) . . . . ?
C27A P1A C21A C22A -72.2(9) . . . . ?
C27A P1A C21A C26A 108.4(9) . . . . ?
C27A P1A C21A C33 -119.1(7) . . . . ?
C27A P1A C27 P1 150(2) . . . . ?
C27A P1A C27 C28 6(2) . . . . ?
C27A P1A C27 C28A 1(2) . . . . ?
C27A P1A C27 C32 -164(4) . . . . ?
C27A P1A C27 C32A -173(8) . . . . ?
C27A P1A C33 P1 108.7(7) . . . . ?
C27A P1A C33 C21A 94.1(6) . . . . ?
C27A P1A C33 C33A -70.4(9) . . . . ?
C27A P1A C33 C34 -78.7(10) . . . . ?
C27A P1A C33 C34A -122.4(11) . . . . ?
C27A P1A C33A P1 123.8(8) . . . . ?
C27A P1A C33A C33 125.0(8) . . . . ?
C27A P1A C33A C34 -152(6) . . . . ?
C27A P1A C33A C34A 163.2(7) . . . . ?
C27A C27 C28 P1A 35(11) . . . . ?
C27A C27 C28 C28A -15(12) . . . . ?
C27A C27 C28 C29 -130(12) . . . . ?
C27A C27 C28 C29A -129(12) . . . . ?
C27A C27 C28 C32A -144(12) . . . . ?
C27A C27 C32 C31 4(4) . . . . ?
C27A C27 C32 C31A 14(4) . . . . ?
C27A C27 C32 C32A 25(4) . . . . ?
C27A C27 C32A C28 6(2) . . . . ?
C27A C27 C32A C30 -10(4) . . . . ?
C27A C27 C32A C31 -69(5) . . . . ?
C27A C27 C32A C31A -4(4) . . . . ?
C27A C27 C32A C32 -161(3) . . . . ?
C27A C28 C28A C27 -4(3) . . . . ?
C27A C28 C28A C29 -128(7) . . . . ?
C27A C28 C28A C29A -136(6) . . . . ?
C27A C28 C29 C28A 154(4) . . . . ?
C27A C28 C29 C29A 171(4) . . . . ?
C27A C28 C29 C30 -15(3) . . . . ?
C27A C28 C29 C30A -37(5) . . . . ?
C27A C28 C29 C31A -21(3) . . . . ?
C27A C28 C29A C28A 145(6) . . . . ?
C27A C28 C29A C29 -14(5) . . . . ?
C27A C28 C29A C30 -18(4) . . . . ?
C27A C28 C29A C30A -26(4) . . . . ?
C27A C28 C32A C27 -6(2) . . . . ?
C27A C28 C32A C30 161(2) . . . . ?
C27A C28 C32A C31 150(3) . . . . ?
C27A C28 C32A C31A 168(2) . . . . ?
C27A C28 C32A C32 17(4) . . . . ?
C27A C28A C29 C28 -11(2) . . . . ?
C27A C28A C29 C29A -175(3) . . . . ?
C27A C28A C29 C30 5(3) . . . . ?
C27A C28A C29 C30A -46(11) . . . . ?
C27A C28A C29 C31A -5.5(19) . . . . ?
C27A C28A C29A C28 -12(2) . . . . ?
C27A C28A C29A C29 6(3) . . . . ?
C27A C28A C29A C30 5.9(18) . . . . ?
C27A C28A C29A C30A -2(2) . . . . ?
C27A C29 C29A C28 3.4(13) . . . . ?
C27A C29 C29A C28A -4(2) . . . . ?
C27A C29 C29A C30 176(7) . . . . ?
C27A C29 C29A C30A 166(5) . . . . ?
C27A C29 C30 C29A -176(6) . . . . ?
C27A C29 C30 C30A -159(3) . . . . ?
C27A C29 C30 C31 4(2) . . . . ?
C27A C29 C30 C31A -19(3) . . . . ?
C27A C29 C30 C32A -5.5(10) . . . . ?
C27A C29 C30A C29A -165(5) . . . . ?
C27A C29 C30A C30 27(4) . . . . ?
C27A C29 C30A C31A 7(2) . . . . ?
C27A C29 C31A C30 161(3) . . . . ?
C27A C29 C31A C30A -174.1(19) . . . . ?
C27A C29 C31A C31 45(3) . . . . ?
C27A C29 C31A C32 7.8(11) . . . . ?
C27A C29 C31A C32A -0.3(9) . . . . ?
C27A C32 C32A C27 8.9(14) . . . . ?
C27A C32 C32A C28 -8(2) . . . . ?
C27A C32 C32A C30 -142(4) . . . . ?
C27A C32 C32A C31 -151(2) . . . . ?
C27A C32 C32A C31A -157(3) . . . . ?
C28 P1A C21A P1 91.7(12) . . . . ?
C28 P1A C21A C21 80(2) . . . . ?
C28 P1A C21A C22A -77.6(9) . . . . ?
C28 P1A C21A C26A 103.0(9) . . . . ?
C28 P1A C21A C33 -124.6(7) . . . . ?
C28 P1A C27 P1 143.8(11) . . . . ?
C28 P1A C27 C27A -6(2) . . . . ?
C28 P1A C27 C28A -5.0(10) . . . . ?
C28 P1A C27 C32 -170(2) . . . . ?
C28 P1A C27 C32A -179(100) . . . . ?
C28 P1A C27A P1 136(2) . . . . ?
C28 P1A C27A C27 168(4) . . . . ?
C28 P1A C27A C28A -11(2) . . . . ?
C28 P1A C27A C29 -21(2) . . . . ?
C28 P1A C27A C32 177(3) . . . . ?
C28 P1A C27A C32A 170(3) . . . . ?
C28 P1A C33 P1 125.5(9) . . . . ?
C28 P1A C33 C21A 111.0(8) . . . . ?
C28 P1A C33 C33A -53.6(11) . . . . ?
C28 P1A C33 C34 -61.9(12) . . . . ?
C28 P1A C33 C34A -105.6(13) . . . . ?
C28 P1A C33A P1 139.9(8) . . . . ?
C28 P1A C33A C33 141.0(9) . . . . ?
C28 P1A C33A C34 -136(6) . . . . ?
C28 P1A C33A C34A 179.2(7) . . . . ?
C28 C27 C27A P1 -134(10) . . . . ?
C28 C27 C27A P1A -145(11) . . . . ?
C28 C27 C27A C29 39(9) . . . . ?
C28 C27 C27A C32 49(13) . . . . ?
C28 C27 C27A C32A 36(12) . . . . ?
C28 C27 C32 C27A -9(3) . . . . ?
C28 C27 C32 C31 -5(2) . . . . ?
C28 C27 C32 C31A 5.4(18) . . . . ?
C28 C27 C32 C32A 16(3) . . . . ?
C28 C27 C32A C27A -6(2) . . . . ?
C28 C27 C32A C30 -16(2) . . . . ?
C28 C27 C32A C31 -75(4) . . . . ?
C28 C27 C32A C31A -10(3) . . . . ?
C28 C27 C32A C32 -167(2) . . . . ?
C28 C27A C28A C27 33(27) . . . . ?
C28 C27A C28A C29 52(7) . . . . ?
C28 C27A C28A C29A 49(7) . . . . ?
C28 C27A C32 C27 163(5) . . . . ?
C28 C27A C32 C31 -14(3) . . . . ?
C28 C27A C32 C31A -3(3) . . . . ?
C28 C27A C32 C32A 14(4) . . . . ?
C28 C27A C32A C27 169(4) . . . . ?
C28 C27A C32A C30 -19(2) . . . . ?
C28 C27A C32A C31 -44(3) . . . . ?
C28 C27A C32A C31A -14(3) . . . . ?
C28 C27A C32A C32 -169(3) . . . . ?
C28 C28A C29 C27A 11(2) . . . . ?
C28 C28A C29 C29A -163(4) . . . . ?
C28 C28A C29 C30 16(4) . . . . ?
C28 C28A C29 C30A -35(12) . . . . ?
C28 C28A C29 C31A 6(3) . . . . ?
C28 C28A C29A C29 18(4) . . . . ?
C28 C28A C29A C30 18(3) . . . . ?
C28 C28A C29A C30A 10(3) . . . . ?
C28 C29 C29A C28A -7.6(16) . . . . ?
C28 C29 C29A C30 172(6) . . . . ?
C28 C29 C29A C30A 163(4) . . . . ?
C28 C29 C30 C29A -172(6) . . . . ?
C28 C29 C30 C30A -154(3) . . . . ?
C28 C29 C30 C31 9(3) . . . . ?
C28 C29 C30 C31A -15(3) . . . . ?
C28 C29 C30 C32A -0.8(17) . . . . ?
C28 C29 C30A C29A -152(6) . . . . ?
C28 C29 C30A C30 41(5) . . . . ?
C28 C29 C30A C31A 21(4) . . . . ?
C28 C29 C31A C30 167(3) . . . . ?
C28 C29 C31A C30A -168(2) . . . . ?
C28 C29 C31A C31 52(3) . . . . ?
C28 C29 C31A C32 14.3(15) . . . . ?
C28 C29 C31A C32A 6.2(13) . . . . ?
C28 C29A C30 C29 6(5) . . . . ?
C28 C29A C30 C30A -151(3) . . . . ?
C28 C29A C30 C31 7(2) . . . . ?
C28 C29A C30 C31A -20(3) . . . . ?
C28 C29A C30 C32A -2.7(10) . . . . ?
C28 C29A C30A C29 14(3) . . . . ?
C28 C29A C30A C30 29(3) . . . . ?
C28 C29A C30A C31A 5.6(18) . . . . ?
C28A C27 C27A P1 -156(26) . . . . ?
C28A C27 C27A P1A -167(27) . . . . ?
C28A C27 C27A C28 -22(19) . . . . ?
C28A C27 C27A C29 17(25) . . . . ?
C28A C27 C27A C32 27(30) . . . . ?
C28A C27 C27A C32A 14(29) . . . . ?
C28A C27 C28 P1A 50(8) . . . . ?
C28A C27 C28 C27A 15(12) . . . . ?
C28A C27 C28 C29 -115(8) . . . . ?
C28A C27 C28 C29A -114(9) . . . . ?
C28A C27 C28 C32A -130(7) . . . . ?
C28A C27 C32 C27A -2(3) . . . . ?
C28A C27 C32 C31 1(2) . . . . ?
C28A C27 C32 C31A 12.1(17) . . . . ?
C28A C27 C32 C32A 22(3) . . . . ?
C28A C27 C32A C27A -1(2) . . . . ?
C28A C27 C32A C28 5.0(9) . . . . ?
C28A C27 C32A C30 -10.6(19) . . . . ?
C28A C27 C32A C31 -70(4) . . . . ?
C28A C27 C32A C31A -5(3) . . . . ?
C28A C27 C32A C32 -162(2) . . . . ?
C28A C27A C28 P1A 51(8) . . . . ?
C28A C27A C28 C27 -169(9) . . . . ?
C28A C27A C28 C29 -115(8) . . . . ?
C28A C27A C28 C29A -109(9) . . . . ?
C28A C27A C28 C32A -138(6) . . . . ?
C28A C27A C32 C27 176(5) . . . . ?
C28A C27A C32 C31 -1(2) . . . . ?
C28A C27A C32 C31A 10.4(18) . . . . ?
C28A C27A C32 C32A 27(3) . . . . ?
C28A C27A C32A C27 178(3) . . . . ?
C28A C27A C32A C28 9.3(17) . . . . ?
C28A C27A C32A C30 -9.6(16) . . . . ?
C28A C27A C32A C31 -35(3) . . . . ?
C28A C27A C32A C31A -4(2) . . . . ?
C28A C27A C32A C32 -159(3) . . . . ?
C28A C28 C29 C27A -154(4) . . . . ?
C28A C28 C29 C29A 17(4) . . . . ?
C28A C28 C29 C30 -169(3) . . . . ?
C28A C28 C29 C30A 169(4) . . . . ?
C28A C28 C29 C31A -175(3) . . . . ?
C28A C28 C29A C29 -159(4) . . . . ?
C28A C28 C29A C30 -163(3) . . . . ?
C28A C28 C29A C30A -171(3) . . . . ?
C28A C28 C32A C27 -149(6) . . . . ?
C28A C28 C32A C27A -143(7) . . . . ?
C28A C28 C32A C30 18(6) . . . . ?
C28A C28 C32A C31 7(6) . . . . ?
C28A C28 C32A C31A 25(6) . . . . ?
C28A C28 C32A C32 -127(6) . . . . ?
C28A C29 C29A C28 7.6(16) . . . . ?
C28A C29 C29A C30 180(5) . . . . ?
C28A C29 C29A C30A 171(3) . . . . ?
C28A C29 C30 C29A -180(100) . . . . ?
C28A C29 C30 C30A -162(4) . . . . ?
C28A C29 C30 C31 0(4) . . . . ?
C28A C29 C30 C31A -23(5) . . . . ?
C28A C29 C30 C32A -9(3) . . . . ?
C28A C29 C30A C29A -126(13) . . . . ?
C28A C29 C30A C30 66(12) . . . . ?
C28A C29 C30A C31A 47(11) . . . . ?
C28A C29 C31A C30 164(3) . . . . ?
C28A C29 C31A C30A -170(3) . . . . ?
C28A C29 C31A C31 49(4) . . . . ?
C28A C29 C31A C32 12(2) . . . . ?
C28A C29 C31A C32A 3.5(19) . . . . ?
C28A C29A C30 C29 0(5) . . . . ?
C28A C29A C30 C30A -157(3) . . . . ?
C28A C29A C30 C31 0(3) . . . . ?
C28A C29A C30 C31A -26(3) . . . . ?
C28A C29A C30 C32A -8.9(13) . . . . ?
C28A C29A C30A C29 10(3) . . . . ?
C28A C29A C30A C30 26(4) . . . . ?
C28A C29A C30A C31A 2(2) . . . . ?
C29 C27A C28 P1A 166.6(14) . . . . ?
C29 C27A C28 C27 -54(12) . . . . ?
C29 C27A C28 C28A 115(8) . . . . ?
C29 C27A C28 C29A 6(2) . . . . ?
C29 C27A C28 C32A -23(3) . . . . ?
C29 C27A C28A C27 -19(28) . . . . ?
C29 C27A C28A C28 -52(7) . . . . ?
C29 C27A C28A C29A -2.7(15) . . . . ?
C29 C27A C32 C27 173(4) . . . . ?
C29 C27A C32 C31 -3.5(15) . . . . ?
C29 C27A C32 C31A 7.5(10) . . . . ?
C29 C27A C32 C32A 24(3) . . . . ?
C29 C27A C32A C27 -178(3) . . . . ?
C29 C27A C32A C28 13.2(19) . . . . ?
C29 C27A C32A C30 -5.6(10) . . . . ?
C29 C27A C32A C31 -31(3) . . . . ?
C29 C27A C32A C31A -0.5(14) . . . . ?
C29 C27A C32A C32 -155(3) . . . . ?
C29 C28 C28A C27 124(7) . . . . ?
C29 C28 C28A C27A 128(7) . . . . ?
C29 C28 C28A C29A -8.0(17) . . . . ?
C29 C28 C29A C28A 159(4) . . . . ?
C29 C28 C29A C30 -4(3) . . . . ?
C29 C28 C29A C30A -12(3) . . . . ?
C29 C28 C32A C27 -167.9(18) . . . . ?
C29 C28 C32A C27A -162(3) . . . . ?
C29 C28 C32A C30 -0.5(11) . . . . ?
C29 C28 C32A C31 -11.7(19) . . . . ?
C29 C28 C32A C31A 6.3(14) . . . . ?
C29 C28 C32A C32 -145(4) . . . . ?
C29 C28A C29A C28 -18(4) . . . . ?
C29 C28A C29A C30 0(2) . . . . ?
C29 C28A C29A C30A -8(2) . . . . ?
C29 C29A C30 C30A -157(7) . . . . ?
C29 C29A C30 C31 0(5) . . . . ?
C29 C29A C30 C31A -26(6) . . . . ?
C29 C29A C30 C32A -9(5) . . . . ?
C29 C29A C30A C30 15(5) . . . . ?
C29 C29A C30A C31A -8(4) . . . . ?
C29 C30 C30A C29A -6.8(19) . . . . ?
C29 C30 C30A C31A 74(5) . . . . ?
C29 C30 C31 C31A -79(4) . . . . ?
C29 C30 C31 C32 -8(3) . . . . ?
C29 C30 C31 C32A -14(2) . . . . ?
C29 C30 C31A C30A -52(4) . . . . ?
C29 C30 C31A C31 111(3) . . . . ?
C29 C30 C31A C32 43(4) . . . . ?
C29 C30 C31A C32A 23(3) . . . . ?
C29 C30A C31A C30 109(5) . . . . ?
C29 C30A C31A C31 82(4) . . . . ?
C29 C30A C31A C32 3(2) . . . . ?
C29 C30A C31A C32A -7(2) . . . . ?
C29 C31A C32 C27 -12.0(14) . . . . ?
C29 C31A C32 C27A -8.6(12) . . . . ?
C29 C31A C32 C31 141(3) . . . . ?
C29 C31A C32 C32A -23(3) . . . . ?
C29 C31A C32A C27 2(3) . . . . ?
C29 C31A C32A C27A 0.6(16) . . . . ?
C29 C31A C32A C28 -5.1(11) . . . . ?
C29 C31A C32A C30 16(3) . . . . ?
C29 C31A C32A C31 145(2) . . . . ?
C29 C31A C32A C32 157(3) . . . . ?
C29A C28 C28A C27 132(7) . . . . ?
C29A C28 C28A C27A 136(6) . . . . ?
C29A C28 C28A C29 8.0(17) . . . . ?
C29A C28 C29 C27A -171(4) . . . . ?
C29A C28 C29 C28A -17(4) . . . . ?
C29A C28 C29 C30 174(4) . . . . ?
C29A C28 C29 C30A 152(6) . . . . ?
C29A C28 C29 C31A 168(4) . . . . ?
C29A C28 C32A C27 -170.4(17) . . . . ?
C29A C28 C32A C27A -164(3) . . . . ?
C29A C28 C32A C30 -3.0(12) . . . . ?
C29A C28 C32A C31 -14(2) . . . . ?
C29A C28 C32A C31A 3.8(14) . . . . ?
C29A C28 C32A C32 -148(4) . . . . ?
C29A C28A C29 C27A 175(3) . . . . ?
C29A C28A C29 C28 163(4) . . . . ?
C29A C28A C29 C30 180(5) . . . . ?
C29A C28A C29 C30A 129(13) . . . . ?
C29A C28A C29 C31A 169(4) . . . . ?
C29A C29 C30 C30A 18(5) . . . . ?
C29A C29 C30 C31 -180(5) . . . . ?
C29A C29 C30 C31A 157(5) . . . . ?
C29A C29 C30 C32A 171(5) . . . . ?
C29A C29 C30A C30 -167(4) . . . . ?
C29A C29 C30A C31A 173(3) . . . . ?
C29A C29 C31A C30 -43(8) . . . . ?
C29A C29 C31A C30A -18(8) . . . . ?
C29A C29 C31A C31 -158(8) . . . . ?
C29A C29 C31A C32 164(8) . . . . ?
C29A C29 C31A C32A 156(8) . . . . ?
C29A C30 C30A C29 6.8(19) . . . . ?
C29A C30 C30A C31A 81(5) . . . . ?
C29A C30 C31 C31A -79(4) . . . . ?
C29A C30 C31 C32 -8(3) . . . . ?
C29A C30 C31 C32A -14(2) . . . . ?
C29A C30 C31A C29 6.3(14) . . . . ?
C29A C30 C31A C30A -45(4) . . . . ?
C29A C30 C31A C31 118(3) . . . . ?
C29A C30 C31A C32 49(4) . . . . ?
C29A C30 C31A C32A 30(4) . . . . ?
C29A C30A C31A C29 3.7(17) . . . . ?
C29A C30A C31A C30 112(5) . . . . ?
C29A C30A C31A C31 86(4) . . . . ?
C29A C30A C31A C32 6(3) . . . . ?
C29A C30A C31A C32A -3(2) . . . . ?
C30 C29 C29A C28 -172(6) . . . . ?
C30 C29 C29A C28A -180(5) . . . . ?
C30 C29 C29A C30A -9(3) . . . . ?
C30 C29 C30A C29A 167(4) . . . . ?
C30 C29 C30A C31A -20(2) . . . . ?
C30 C29 C31A C30A 25(3) . . . . ?
C30 C29 C31A C31 -115(4) . . . . ?
C30 C29 C31A C32 -153(3) . . . . ?
C30 C29 C31A C32A -161(3) . . . . ?
C30 C29A C30A C29 -15(5) . . . . ?
C30 C29A C30A C31A -24(3) . . . . ?
C30 C30A C31A C29 -109(5) . . . . ?
C30 C30A C31A C31 -27(5) . . . . ?
C30 C30A C31A C32 -106(5) . . . . ?
C30 C30A C31A C32A -116(5) . . . . ?
C30 C31 C31A C29 63(3) . . . . ?
C30 C31 C31A C30A 12(2) . . . . ?
C30 C31 C31A C32 121(3) . . . . ?
C30 C31 C31A C32A 115(3) . . . . ?
C30 C31 C32 C27 6(3) . . . . ?
C30 C31 C32 C27A 7(2) . . . . ?
C30 C31 C32 C31A -23.7(18) . . . . ?
C30 C31 C32 C32A -12(3) . . . . ?
C30 C31 C32A C27 75(5) . . . . ?
C30 C31 C32A C27A 36(3) . . . . ?
C30 C31 C32A C28 16(2) . . . . ?
C30 C31 C32A C31A -20.9(16) . . . . ?
C30 C31 C32A C32 170(2) . . . . ?
C30 C31A C32 C27 -41(4) . . . . ?
C30 C31A C32 C27A -38(4) . . . . ?
C30 C31A C32 C31 112(5) . . . . ?
C30 C31A C32 C32A -53(4) . . . . ?
C30 C31A C32A C27 -14(4) . . . . ?
C30 C31A C32A C27A -16(3) . . . . ?
C30 C31A C32A C28 -21(3) . . . . ?
C30 C31A C32A C31 129(4) . . . . ?
C30 C31A C32A C32 141(3) . . . . ?
C30A C29 C29A C28 -163(4) . . . . ?
C30A C29 C29A C28A -171(3) . . . . ?
C30A C29 C29A C30 9(3) . . . . ?
C30A C29 C30 C29A -18(5) . . . . ?
C30A C29 C30 C31 162(4) . . . . ?
C30A C29 C30 C31A 139(4) . . . . ?
C30A C29 C30 C32A 153(3) . . . . ?
C30A C29 C31A C30 -25(3) . . . . ?
C30A C29 C31A C31 -141(3) . . . . ?
C30A C29 C31A C32 -178.2(17) . . . . ?
C30A C29 C31A C32A 173.7(18) . . . . ?
C30A C29A C30 C29 157(7) . . . . ?
C30A C29A C30 C31 157(5) . . . . ?
C30A C29A C30 C31A 131(5) . . . . ?
C30A C29A C30 C32A 148(4) . . . . ?
C30A C30 C31 C31A -35(8) . . . . ?
C30A C30 C31 C32 36(9) . . . . ?
C30A C30 C31 C32A 30(8) . . . . ?
C30A C30 C31A C29 52(4) . . . . ?
C30A C30 C31A C31 163(4) . . . . ?
C30A C30 C31A C32 95(5) . . . . ?
C30A C30 C31A C32A 75(5) . . . . ?
C30A C31A C32 C27 -14(2) . . . . ?
C30A C31A C32 C27A -10(2) . . . . ?
C30A C31A C32 C31 140(4) . . . . ?
C30A C31A C32 C32A -25(3) . . . . ?
C30A C31A C32A C27 7(4) . . . . ?
C30A C31A C32A C27A 5(2) . . . . ?
C30A C31A C32A C28 -1.0(17) . . . . ?
C30A C31A C32A C30 20(2) . . . . ?
C30A C31A C32A C31 149(3) . . . . ?
C30A C31A C32A C32 161(3) . . . . ?
C31 C30 C30A C29 -54(9) . . . . ?
C31 C30 C30A C29A -61(9) . . . . ?
C31 C30 C30A C31A 20(5) . . . . ?
C31 C30 C31A C29 -111(3) . . . . ?
C31 C30 C31A C30A -163(4) . . . . ?
C31 C30 C31A C32 -68(4) . . . . ?
C31 C30 C31A C32A -88(4) . . . . ?
C31 C31A C32 C27 -153(3) . . . . ?
C31 C31A C32 C27A -150(3) . . . . ?
C31 C31A C32 C32A -165(4) . . . . ?
C31 C31A C32A C27 -142(3) . . . . ?
C31 C31A C32A C27A -144(2) . . . . ?
C31 C31A C32A C28 -150(2) . . . . ?
C31 C31A C32A C30 -129(4) . . . . ?
C31 C31A C32A C32 12(3) . . . . ?
C31 C32 C32A C27 159.6(19) . . . . ?
C31 C32 C32A C27A 151(2) . . . . ?
C31 C32 C32A C28 143(4) . . . . ?
C31 C32 C32A C30 9(2) . . . . ?
C31 C32 C32A C31A -6.2(16) . . . . ?
C31A C29 C29A C28 -149(9) . . . . ?
C31A C29 C29A C28A -156(8) . . . . ?
C31A C29 C29A C30 23(5) . . . . ?
C31A C29 C29A C30A 14(6) . . . . ?
C31A C29 C30 C29A -157(5) . . . . ?
C31A C29 C30 C30A -139(4) . . . . ?
C31A C29 C30 C31 23.3(18) . . . . ?
C31A C29 C30 C32A 14(2) . . . . ?
C31A C29 C30A C29A -173(3) . . . . ?
C31A C29 C30A C30 20(2) . . . . ?
C31A C30 C30A C29 -74(5) . . . . ?
C31A C30 C30A C29A -81(5) . . . . ?
C31A C30 C31 C32 71(4) . . . . ?
C31A C30 C31 C32A 65(3) . . . . ?
C31A C31 C32 C27 30(3) . . . . ?
C31A C31 C32 C27A 31(3) . . . . ?
C31A C31 C32 C32A 12(3) . . . . ?
C31A C31 C32A C27 96(5) . . . . ?
C31A C31 C32A C27A 57(4) . . . . ?
C31A C31 C32A C28 37(3) . . . . ?
C31A C31 C32A C30 20.9(16) . . . . ?
C31A C31 C32A C32 -169(3) . . . . ?
C31A C32 C32A C27 166(3) . . . . ?
C31A C32 C32A C27A 157(3) . . . . ?
C31A C32 C32A C28 149(5) . . . . ?
C31A C32 C32A C30 15.0(12) . . . . ?
C31A C32 C32A C31 6.2(16) . . . . ?
C32 C27 C27A P1 177(4) . . . . ?
C32 C27 C27A P1A 166(3) . . . . ?
C32 C27 C27A C28 -49(13) . . . . ?
C32 C27 C27A C29 -9(5) . . . . ?
C32 C27 C27A C32A -12(2) . . . . ?
C32 C27 C28 P1A 172.1(19) . . . . ?
C32 C27 C28 C27A 137(12) . . . . ?
C32 C27 C28 C28A 122(7) . . . . ?
C32 C27 C28 C29 7(2) . . . . ?
C32 C27 C28 C29A 8(3) . . . . ?
C32 C27 C28 C32A -7.7(14) . . . . ?
C32 C27 C32A C27A 161(3) . . . . ?
C32 C27 C32A C28 167(2) . . . . ?
C32 C27 C32A C30 151(3) . . . . ?
C32 C27 C32A C31 92(5) . . . . ?
C32 C27 C32A C31A 157(4) . . . . ?
C32 C27A C28 P1A -176(3) . . . . ?
C32 C27A C28 C27 -36(10) . . . . ?
C32 C27A C28 C28A 133(6) . . . . ?
C32 C27A C28 C29 18(4) . . . . ?
C32 C27A C28 C29A 24(5) . . . . ?
C32 C27A C28 C32A -4.9(14) . . . . ?
C32 C27A C28A C27 -23(27) . . . . ?
C32 C27A C28A C28 -56(7) . . . . ?
C32 C27A C28A C29 -4(2) . . . . ?
C32 C27A C28A C29A -7(2) . . . . ?
C32 C27A C32A C27 -22(4) . . . . ?
C32 C27A C32A C28 169(3) . . . . ?
C32 C27A C32A C30 150(3) . . . . ?
C32 C27A C32A C31 124(5) . . . . ?
C32 C27A C32A C31A 155(4) . . . . ?
C32 C31 C31A C29 -57(4) . . . . ?
C32 C31 C31A C30 -121(3) . . . . ?
C32 C31 C31A C30A -109(4) . . . . ?
C32 C31 C31A C32A -5.9(14) . . . . ?
C32 C31 C32A C27 -95(5) . . . . ?
C32 C31 C32A C27A -134(4) . . . . ?
C32 C31 C32A C28 -154(3) . . . . ?
C32 C31 C32A C30 -170(2) . . . . ?
C32 C31 C32A C31A 169(3) . . . . ?
C32 C31A C32A C27 -154(5) . . . . ?
C32 C31A C32A C27A -156(4) . . . . ?
C32 C31A C32A C28 -162(3) . . . . ?
C32 C31A C32A C30 -141(3) . . . . ?
C32 C31A C32A C31 -12(3) . . . . ?
C32A C27 C27A P1 -170(3) . . . . ?
C32A C27 C27A P1A 178(2) . . . . ?
C32A C27 C27A C28 -36(12) . . . . ?
C32A C27 C27A C29 3(4) . . . . ?
C32A C27 C27A C32 12(2) . . . . ?
C32A C27 C28 P1A 179.8(16) . . . . ?
C32A C27 C28 C27A 144(12) . . . . ?
C32A C27 C28 C28A 130(7) . . . . ?
C32A C27 C28 C29 14(2) . . . . ?
C32A C27 C28 C29A 16(3) . . . . ?
C32A C27 C32 C27A -25(4) . . . . ?
C32A C27 C32 C31 -21(2) . . . . ?
C32A C27 C32 C31A -10.2(19) . . . . ?
C32A C27A C28 P1A -171(3) . . . . ?
C32A C27A C28 C27 -31(11) . . . . ?
C32A C27A C28 C28A 138(6) . . . . ?
C32A C27A C28 C29 23(3) . . . . ?
C32A C27A C28 C29A 29(4) . . . . ?
C32A C27A C28A C27 -13(27) . . . . ?
C32A C27A C28A C28 -46(7) . . . . ?
C32A C27A C28A C29 5.7(17) . . . . ?
C32A C27A C28A C29A 3(2) . . . . ?
C32A C27A C32 C27 149(5) . . . . ?
C32A C27A C32 C31 -27(2) . . . . ?
C32A C27A C32 C31A -16(2) . . . . ?
C32A C28 C28A C27 104(10) . . . . ?
C32A C28 C28A C27A 108(10) . . . . ?
C32A C28 C28A C29 -20(5) . . . . ?
C32A C28 C28A C29A -28(6) . . . . ?
C32A C28 C29 C27A 16(2) . . . . ?
C32A C28 C29 C28A 170(3) . . . . ?
C32A C28 C29 C29A -173(3) . . . . ?
C32A C28 C29 C30 0.8(18) . . . . ?
C32A C28 C29 C30A -21(3) . . . . ?
C32A C28 C29 C31A -5.0(11) . . . . ?
C32A C28 C29A C28A 166(3) . . . . ?
C32A C28 C29A C29 7(3) . . . . ?
C32A C28 C29A C30 3.1(12) . . . . ?
C32A C28 C29A C30A -5.3(14) . . . . ?
C32A C30 C30A C29 -31(3) . . . . ?
C32A C30 C30A C29A -38(4) . . . . ?
C32A C30 C30A C31A 43(3) . . . . ?
C32A C30 C31 C31A -65(3) . . . . ?
C32A C30 C31 C32 5.9(14) . . . . ?
C32A C30 C31A C29 -23(3) . . . . ?
C32A C30 C31A C30A -75(5) . . . . ?
C32A C30 C31A C31 88(4) . . . . ?
C32A C30 C31A C32 19.8(16) . . . . ?
C32A C31 C31A C29 -51(3) . . . . ?
C32A C31 C31A C30 -115(3) . . . . ?
C32A C31 C31A C30A -103(4) . . . . ?
C32A C31 C31A C32 5.9(14) . . . . ?
C32A C31 C32 C27 18.0(17) . . . . ?
C32A C31 C32 C27A 18.9(17) . . . . ?
C32A C31 C32 C31A -12(3) . . . . ?
C32A C31A C32 C27 11(2) . . . . ?
C32A C31A C32 C27A 15(2) . . . . ?
C32A C31A C32 C31 165(4) . . . . ?
C33 P1 P1A Cu12 118.5(5) . . . . ?
C33 P1 P1A C21A -33.1(11) . . . . ?
C33 P1 P1A C27 -114.1(7) . . . . ?
C33 P1 P1A C27A -123.2(6) . . . . ?
C33 P1 P1A C28 -135.4(8) . . . . ?
C33 P1 P1A C33A -0.7(7) . . . . ?
C33 P1 C21 C21A 21.5(18) . . . . ?
C33 P1 C21 C22 26.6(19) . . . . ?
C33 P1 C21 C22A 33.6(9) . . . . ?
C33 P1 C21 C25A -83(5) . . . . ?
C33 P1 C21 C26 -139.9(16) . . . . ?
C33 P1 C21 C26A -106(3) . . . . ?
C33 P1 C21A P1A 31.9(11) . . . . ?
C33 P1 C21A C21 -158.3(19) . . . . ?
C33 P1 C21A C22A 44.8(11) . . . . ?
C33 P1 C21A C26A -137.9(9) . . . . ?
C33 P1 C27 P1A 61.9(7) . . . . ?
C33 P1 C27 C27A 95(3) . . . . ?
C33 P1 C27 C28 102.9(13) . . . . ?
C33 P1 C27 C28A 96.5(10) . . . . ?
C33 P1 C27 C32 -83.2(13) . . . . ?
C33 P1 C27 C32A -103(3) . . . . ?
C33 P1A C21A P1 -143.8(12) . . . . ?
C33 P1A C21A C21 -156(2) . . . . ?
C33 P1A C21A C22A 46.9(9) . . . . ?
C33 P1A C21A C26A -132.5(10) . . . . ?
C33 P1A C27 P1 -88.7(7) . . . . ?
C33 P1A C27 C27A 122(2) . . . . ?
C33 P1A C27 C28 127.5(11) . . . . ?
C33 P1A C27 C28A 122.5(8) . . . . ?
C33 P1A C27 C32 -42.7(19) . . . . ?
C33 P1A C27 C32A -52(6) . . . . ?
C33 P1A C27A P1 -98.7(8) . . . . ?
C33 P1A C27A C27 -67(3) . . . . ?
C33 P1A C27A C28 125(2) . . . . ?
C33 P1A C27A C28A 114.5(11) . . . . ?
C33 P1A C27A C29 104(3) . . . . ?
C33 P1A C27A C32 -58.2(10) . . . . ?
C33 P1A C27A C32A -65.3(14) . . . . ?
C33 P1A C33A P1 -1.1(10) . . . . ?
C33 P1A C33A C34 83(6) . . . . ?
C33 P1A C33A C34A 38.2(8) . . . . ?
C33 C21A C22 C21 -157(2) . . . . ?
C33 C21A C22 C22A 39.1(12) . . . . ?
C33 C21A C22 C23 -138(4) . . . . ?
C33 C21A C22 C23A 34(2) . . . . ?
C33 C21A C22 C24A -124(3) . . . . ?
C33 C21A C22 C25A -135.4(9) . . . . ?
C33 C21A C22 C26A -136.7(10) . . . . ?
C33 C21A C22A C21 -161.3(18) . . . . ?
C33 C21A C22A C22 -146.7(10) . . . . ?
C33 C21A C22A C23A -143.6(10) . . . . ?
C33 C21A C26A P1 -72.0(11) . . . . ?
C33 C21A C26A C21 172(4) . . . . ?
C33 C21A C26A C22 113.8(13) . . . . ?
C33 C21A C26A C25A 111.9(14) . . . . ?
C33 C21A C26A C26 -134(3) . . . . ?
C33 C33A C34 P2 68(4) . . . . ?
C33 C33A C34 C34A 19(2) . . . . ?
C33 C33A C34A P2 160.4(9) . . . . ?
C33 C33A C34A C34 -159(3) . . . . ?
C33 C33A C34A C41 -149.5(18) . . . . ?
C33 C34 C34A P2 158.3(8) . . . . ?
C33 C34 C34A C33A 16(2) . . . . ?
C33 C34 C34A C41 -158.1(12) . . . . ?
C33 C34A C41 P2 170.6(17) . . . . ?
C33 C34A C41 C41A 134.0(16) . . . . ?
C33 C34A C41 C42 -50.7(18) . . . . ?
C33 C34A C41 C42A 85.0(17) . . . . ?
C33 C34A C41 C46 77(2) . . . . ?
C33A P1 P1A Cu12 119.3(5) . . . . ?
C33A P1 P1A C21A -32.4(13) . . . . ?
C33A P1 P1A C27 -113.4(8) . . . . ?
C33A P1 P1A C27A -122.5(7) . . . . ?
C33A P1 P1A C28 -134.7(9) . . . . ?
C33A P1 P1A C33 0.7(7) . . . . ?
C33A P1 C21 C21A 14(2) . . . . ?
C33A P1 C21 C22 19(2) . . . . ?
C33A P1 C21 C22A 25.7(12) . . . . ?
C33A P1 C21 C25A -90(5) . . . . ?
C33A P1 C21 C26 -147.9(13) . . . . ?
C33A P1 C21 C26A -114(3) . . . . ?
C33A P1 C21A P1A 20.7(9) . . . . ?
C33A P1 C21A C21 -169.6(17) . . . . ?
C33A P1 C21A C22A 33.6(12) . . . . ?
C33A P1 C21A C26A -149.1(7) . . . . ?
C33A P1 C21A C33 -11.2(6) . . . . ?
C33A P1 C27 P1A 35.7(5) . . . . ?
C33A P1 C27 C27A 68(3) . . . . ?
C33A P1 C27 C28 76.8(13) . . . . ?
C33A P1 C27 C28A 70.4(9) . . . . ?
C33A P1 C27 C32 -109.3(13) . . . . ?
C33A P1 C27 C32A -129(3) . . . . ?
C33A P1 C33 P1A -0.9(8) . . . . ?
C33A P1 C33 C21A 158.6(10) . . . . ?
C33A P1 C33 C34 -9.2(10) . . . . ?
C33A P1 C33 C34A -70.0(15) . . . . ?
C33A P1A C21A P1 -153.8(11) . . . . ?
C33A P1A C21A C21 -166(2) . . . . ?
C33A P1A C21A C22A 36.9(8) . . . . ?
C33A P1A C21A C26A -142.5(8) . . . . ?
C33A P1A C21A C33 -10.0(6) . . . . ?
C33A P1A C27 P1 -130.2(7) . . . . ?
C33A P1A C27 C27A 80(3) . . . . ?
C33A P1A C27 C28 86.0(11) . . . . ?
C33A P1A C27 C28A 81.0(8) . . . . ?
C33A P1A C27 C32 -84.2(17) . . . . ?
C33A P1A C27 C32A -93(6) . . . . ?
C33A P1A C27A P1 -136.4(7) . . . . ?
C33A P1A C27A C27 -105(2) . . . . ?
C33A P1A C27A C28 87(2) . . . . ?
C33A P1A C27A C28A 76.8(11) . . . . ?
C33A P1A C27A C29 66(3) . . . . ?
C33A P1A C27A C32 -96.0(9) . . . . ?
C33A P1A C27A C32A -103.0(12) . . . . ?
C33A P1A C33 P1 179.1(8) . . . . ?
C33A P1A C33 C21A 164.6(9) . . . . ?
C33A P1A C33 C34 -8.3(9) . . . . ?
C33A P1A C33 C34A -51.9(10) . . . . ?
C33A C33 C34 P2 -140(3) . . . . ?
C33A C33 C34 C34A -158(3) . . . . ?
C33A C33 C34A P2 -40.9(18) . . . . ?
C33A C33 C34A C34 8.3(10) . . . . ?
C33A C33 C34A C41 155.7(15) . . . . ?
C33A C34 C34A P2 142(2) . . . . ?
C33A C34 C34A C33 -16(2) . . . . ?
C33A C34 C34A C41 -174.5(17) . . . . ?
C33A C34A C41 P2 -59.1(17) . . . . ?
C33A C34A C41 C41A -95.8(19) . . . . ?
C33A C34A C41 C42 79.5(19) . . . . ?
C33A C34A C41 C42A -144.8(16) . . . . ?
C33A C34A C41 C46 -152.6(17) . . . . ?
C34 P2 C34A C33 45.4(16) . . . . ?
C34 P2 C34A C33A 14.4(8) . . . . ?
C34 P2 C34A C41 -144.2(9) . . . . ?
C34 P2 C35 C40A -102.6(5) . . . . ?
C34 P2 C35 C36A 76.3(5) . . . . ?
C34 P2 C35 C36 113.0(11) . . . . ?
C34 P2 C35 C40 -89.9(9) . . . . ?
C34 P2 C41 C34A 20.6(6) . . . . ?
C34 P2 C41 C41A 172.6(6) . . . . ?
C34 P2 C41 C42 -42.0(12) . . . . ?
C34 P2 C41 C42A 133.9(6) . . . . ?
C34 P2 C41 C46 141.1(10) . . . . ?
C34 C33 C33A P1 157(2) . . . . ?
C34 C33 C33A P1A 157(2) . . . . ?
C34 C33 C33A C34A 18(2) . . . . ?
C34 C33 C34A P2 -49.2(17) . . . . ?
C34 C33 C34A C33A -8.3(10) . . . . ?
C34 C33 C34A C41 147.4(18) . . . . ?
C34 C33A C34A P2 -40(2) . . . . ?
C34 C33A C34A C33 159(3) . . . . ?
C34 C33A C34A C41 10(3) . . . . ?
C34 C34A C41 P2 -53.9(12) . . . . ?
C34 C34A C41 C41A -90.5(15) . . . . ?
C34 C34A C41 C42 84.7(14) . . . . ?
C34 C34A C41 C42A -139.6(13) . . . . ?
C34 C34A C41 C46 -147.4(14) . . . . ?
C34A P2 C35 C40A -131.3(4) . . . . ?
C34A P2 C35 C36A 47.7(5) . . . . ?
C34A P2 C35 C36 84.4(11) . . . . ?
C34A P2 C35 C40 -118.6(8) . . . . ?
C34A P2 C41 C41A 152.0(7) . . . . ?
C34A P2 C41 C42 -62.6(10) . . . . ?
C34A P2 C41 C42A 113.3(6) . . . . ?
C34A P2 C41 C46 120.6(10) . . . . ?
C34A C33 C33A P1 139.3(9) . . . . ?
C34A C33 C33A P1A 139.0(7) . . . . ?
C34A C33 C33A C34 -18(2) . . . . ?
C34A C33 C34 P2 18.4(6) . . . . ?
C34A C33 C34 C33A 158(3) . . . . ?
C34A C33A C34 P2 49(3) . . . . ?
C34A C33A C34 C33 -19(2) . . . . ?
C34A C41 C41A P2 30.4(7) . . . . ?
C34A C41 C41A C42A -85.8(11) . . . . ?
C34A C41 C41A C46 -105.5(13) . . . . ?
C34A C41 C41A C46A 142.8(10) . . . . ?
C34A C41 C42 C43 132.1(11) . . . . ?
C34A C41 C46 C41A 111.4(13) . . . . ?
C34A C41 C46 C42A 32(4) . . . . ?
C34A C41 C46 C43A -147(6) . . . . ?
C34A C41 C46 C45 -116.4(14) . . . . ?
C34A C41 C46 C46A 145.3(9) . . . . ?
C35 P2 C34A C33 98.6(16) . . . . ?
C35 P2 C34A C33A 67.6(6) . . . . ?
C35 P2 C34A C34 53.2(8) . . . . ?
C35 P2 C34A C41 -91.1(4) . . . . ?
C35 P2 C41 C34A 112.9(4) . . . . ?
C35 P2 C41 C41A -95.1(5) . . . . ?
C35 P2 C41 C42 50.3(11) . . . . ?
C35 P2 C41 C42A -133.8(5) . . . . ?
C35 P2 C41 C46 -126.5(9) . . . . ?
C35 C40A C39A C38A 0.0 . . . . ?
C35 C40A C39A C37 27.9(6) . . . . ?
C35 C40A C39A C38 78.2(19) . . . . ?
C35 C40A C39A C39 -170.0(16) . . . . ?
C35 C40A C39A C40 -116(3) . . . . ?
C35 C40A C39 C39A 21(3) . . . . ?
C35 C40A C39 C38 40(3) . . . . ?
C35 C40A C39 C40 -121(4) . . . . ?
C35 C36A C36 C40A 27.8(4) . . . . ?
C35 C36A C36 C38A 107.0(8) . . . . ?
C35 C36A C36 C37A 136.1(7) . . . . ?
C35 C36A C36 C37 121.8(18) . . . . ?
C35 C36 C37 C39A 2.8(18) . . . . ?
C35 C36 C37 C38A 62(2) . . . . ?
C35 C36 C37 C37A 115.4(16) . . . . ?
C35 C36 C37 C36A 98(2) . . . . ?
C35 C36 C37 C38 -8(3) . . . . ?
C40A C35 C36A C37A 0.0 . . . . ?
C40A C35 C36A C36 -47.8(11) . . . . ?
C40A C35 C36A C37 -21.6(4) . . . . ?
C40A C35 C36 C38A 34.0(8) . . . . ?
C40A C35 C36 C37A 81.7(13) . . . . ?
C40A C35 C36 C36A 140.0(8) . . . . ?
C40A C35 C36 C37 11.5(16) . . . . ?
C40A C35 C40 C39A -27.2(16) . . . . ?
C40A C35 C40 C39 -21.1(15) . . . . ?
C40A C39A C38A C37A 0.0 . . . . ?
C40A C39A C38A C36 17.3(4) . . . . ?
C40A C39A C38A C37 55.0(8) . . . . ?
C40A C39A C38A C38 132.7(15) . . . . ?
C40A C39A C37 C38A -134.3(6) . . . . ?
C40A C39A C37 C37A -76.1(8) . . . . ?
C40A C39A C37 C36A -34.2(6) . . . . ?
C40A C39A C37 C36 -15.7(11) . . . . ?
C40A C39A C37 C38 144.3(16) . . . . ?
C40A C39A C38 C38A -102.7(16) . . . . ?
C40A C39A C38 C37 -63(2) . . . . ?
C40A C39A C38 C39 84(2) . . . . ?
C40A C39A C39 C38 -131.3(17) . . . . ?
C40A C39A C39 C40 11.2(8) . . . . ?
C40A C39A C40 C35 50.0(18) . . . . ?
C40A C39A C40 C39 -119(3) . . . . ?
C40A C36 C37 C39A 10.8(7) . . . . ?
C40A C36 C37 C38A 70.1(17) . . . . ?
C40A C36 C37 C37A 123.4(8) . . . . ?
C40A C36 C37 C36A 106.5(17) . . . . ?
C40A C36 C37 C38 0.1(16) . . . . ?
C40A C38 C39 C39A 49.5(18) . . . . ?
C40A C38 C39 C40 6.7(9) . . . . ?
C40A C39 C40 C35 25.5(16) . . . . ?
C40A C39 C40 C39A 39(2) . . . . ?
C39A C40A C39 C38 19.0(9) . . . . ?
C39A C40A C39 C40 -142(2) . . . . ?
C39A C38A C37A C36A 0.0 . . . . ?
C39A C38A C37A C36 26.3(5) . . . . ?
C39A C38A C37A C37 67.1(9) . . . . ?
C39A C38A C37 C37A -126.9(5) . . . . ?
C39A C38A C37 C36A -92.7(7) . . . . ?
C39A C38A C37 C36 -81.7(15) . . . . ?
C39A C38A C37 C38 31.7(5) . . . . ?
C39A C38A C38 C40A -26.2(8) . . . . ?
C39A C38A C38 C37 -98.4(15) . . . . ?
C39A C38A C38 C39 3.5(8) . . . . ?
C39A C37 C38 C40A -23.9(10) . . . . ?
C39A C37 C38 C38A 82.1(16) . . . . ?
C39A C37 C38 C39 -17.2(10) . . . . ?
C39A C38 C39 C40A -49.5(18) . . . . ?
C39A C38 C39 C40 -43(2) . . . . ?
C39A C39 C40 C35 -13(2) . . . . ?
C38A C39A C37 C37A 58.2(10) . . . . ?
C38A C39A C37 C36A 100.1(10) . . . . ?
C38A C39A C37 C36 118.6(14) . . . . ?
C38A C39A C37 C38 -81.4(17) . . . . ?
C38A C39A C38 C40A 102.7(16) . . . . ?
C38A C39A C38 C37 40.1(8) . . . . ?
C38A C39A C38 C39 -173.4(15) . . . . ?
C38A C39A C40 C35 -20.9(13) . . . . ?
C38A C39A C40 C39 169.7(17) . . . . ?
C38A C37A C36A C35 0.0 . . . . ?
C38A C37A C36A C36 48.9(10) . . . . ?
C38A C37A C36A C37 36.9(7) . . . . ?
C38A C37A C36 C35 -81.7(13) . . . . ?
C38A C37A C36 C40A -34.7(6) . . . . ?
C38A C37A C36 C36A -139.1(8) . . . . ?
C38A C37A C36 C37 27.7(8) . . . . ?
C38A C37A C37 C39A -48.6(7) . . . . ?
C38A C37A C37 C36A -126.0(6) . . . . ?
C38A C37A C37 C36 -133.8(12) . . . . ?
C38A C37A C37 C38 -25.0(9) . . . . ?
C38A C36 C37 C39A -59.3(13) . . . . ?
C38A C36 C37 C37A 53.3(15) . . . . ?
C38A C36 C37 C36A 36(3) . . . . ?
C38A C36 C37 C38 -70.0(17) . . . . ?
C38A C37 C38 C40A -106.0(8) . . . . ?
C38A C37 C38 C39A -82.1(16) . . . . ?
C38A C37 C38 C39 -99.3(15) . . . . ?
C38A C38 C39 C40A -56.8(17) . . . . ?
C38A C38 C39 C39A -7.3(17) . . . . ?
C38A C38 C39 C40 -50(2) . . . . ?
C37A C38A C37 C39A 126.9(5) . . . . ?
C37A C38A C37 C36A 34.2(4) . . . . ?
C37A C38A C37 C36 45.2(12) . . . . ?
C37A C38A C37 C38 158.6(8) . . . . ?
C37A C38A C38 C40A 43.7(11) . . . . ?
C37A C38A C38 C39A 69.8(17) . . . . ?
C37A C38A C38 C37 -28.5(10) . . . . ?
C37A C38A C38 C39 73.3(16) . . . . ?
C37A C36A C36 C35 -136.1(7) . . . . ?
C37A C36A C36 C40A -108.3(10) . . . . ?
C37A C36A C36 C38A -29.1(4) . . . . ?
C37A C36A C36 C37 -14.3(13) . . . . ?
C37A C36 C37 C39A -112.6(10) . . . . ?
C37A C36 C37 C38A -53.3(15) . . . . ?
C37A C36 C37 C36A -16.9(15) . . . . ?
C37A C36 C37 C38 -123.3(17) . . . . ?
C37A C37 C38 C40A -77.3(14) . . . . ?
C37A C37 C38 C39A -53(2) . . . . ?
C37A C37 C38 C38A 28.7(11) . . . . ?
C37A C37 C38 C39 -71(2) . . . . ?
C36A C35 C40A C39A 0.0 . . . . ?
C36A C35 C40A C36 25.5(7) . . . . ?
C36A C35 C40A C38 15.2(6) . . . . ?
C36A C35 C40A C39 -14(2) . . . . ?
C36A C35 C36 C40A -140.0(8) . . . . ?
C36A C35 C36 C38A -106.0(13) . . . . ?
C36A C35 C36 C37A -58.3(12) . . . . ?
C36A C35 C36 C37 -128(2) . . . . ?
C36A C35 C40 C39A 23.9(14) . . . . ?
C36A C35 C40 C39 30(2) . . . . ?
C36A C37A C36 C35 57.4(10) . . . . ?
C36A C37A C36 C40A 104.5(10) . . . . ?
C36A C37A C36 C38A 139.1(8) . . . . ?
C36A C37A C36 C37 166.8(12) . . . . ?
C36A C37A C37 C39A 77.4(8) . . . . ?
C36A C37A C37 C38A 126.0(6) . . . . ?
C36A C37A C37 C36 -7.8(7) . . . . ?
C36A C37A C37 C38 100.9(13) . . . . ?
C36A C36 C37 C39A -95.7(17) . . . . ?
C36A C36 C37 C38A -36(3) . . . . ?
C36A C36 C37 C37A 16.9(15) . . . . ?
C36A C36 C37 C38 -106(2) . . . . ?
C36A C37 C38 C40A -22.0(13) . . . . ?
C36A C37 C38 C39A 2(2) . . . . ?
C36A C37 C38 C38A 84.0(13) . . . . ?
C36A C37 C38 C39 -15(2) . . . . ?
C36 C35 C40A C39A -25.5(7) . . . . ?
C36 C35 C40A C38 -10.4(9) . . . . ?
C36 C35 C40A C39 -40(2) . . . . ?
C36 C35 C36A C37A 47.8(11) . . . . ?
C36 C35 C36A C37 26.2(11) . . . . ?
C36 C35 C40 C39A -10.6(13) . . . . ?
C36 C35 C40 C39 -4.4(19) . . . . ?
C36 C40A C39A C38A -17.1(5) . . . . ?
C36 C40A C39A C37 10.8(7) . . . . ?
C36 C40A C39A C38 61(2) . . . . ?
C36 C40A C39A C39 172.9(16) . . . . ?
C36 C40A C39A C40 -133(3) . . . . ?
C36 C40A C39 C39A -7.9(18) . . . . ?
C36 C40A C39 C38 11.1(16) . . . . ?
C36 C40A C39 C40 -150(3) . . . . ?
C36 C38A C37A C36A -26.3(5) . . . . ?
C36 C38A C37A C37 40.8(11) . . . . ?
C36 C38A C37 C39A 81.7(15) . . . . ?
C36 C38A C37 C37A -45.2(12) . . . . ?
C36 C38A C37 C36A -11.1(9) . . . . ?
C36 C38A C37 C38 113.4(17) . . . . ?
C36 C38A C38 C40A 37.8(7) . . . . ?
C36 C38A C38 C39A 64.0(14) . . . . ?
C36 C38A C38 C37 -34.4(8) . . . . ?
C36 C38A C38 C39 67.5(13) . . . . ?
C36 C37A C36A C35 -48.9(10) . . . . ?
C36 C37A C36A C37 -12.0(11) . . . . ?
C36 C37A C37 C39A 85.2(10) . . . . ?
C36 C37A C37 C38A 133.8(12) . . . . ?
C36 C37A C37 C36A 7.8(7) . . . . ?
C36 C37A C37 C38 108.7(17) . . . . ?
C36 C37 C38 C40A -0.1(16) . . . . ?
C36 C37 C38 C39A 24(2) . . . . ?
C36 C37 C38 C38A 106.0(17) . . . . ?
C36 C37 C38 C39 7(2) . . . . ?
C37 C39A C38A C37A -55.0(8) . . . . ?
C37 C39A C38A C36 -37.7(8) . . . . ?
C37 C39A C38A C38 77.7(15) . . . . ?
C37 C39A C38 C40A 63(2) . . . . ?
C37 C39A C38 C38A -40.1(8) . . . . ?
C37 C39A C38 C39 146.5(17) . . . . ?
C37 C39A C39 C40A 40(3) . . . . ?
C37 C39A C39 C38 -91(3) . . . . ?
C37 C39A C39 C40 51(3) . . . . ?
C37 C39A C40 C35 12.0(12) . . . . ?
C37 C39A C40 C39 -157.4(17) . . . . ?
C37 C38A C37A C36A -67.1(9) . . . . ?
C37 C38A C37A C36 -40.8(11) . . . . ?
C37 C38A C38 C40A 72.2(9) . . . . ?
C37 C38A C38 C39A 98.4(15) . . . . ?
C37 C38A C38 C39 101.9(15) . . . . ?
C37 C37A C36A C35 -36.9(7) . . . . ?
C37 C37A C36A C36 12.0(11) . . . . ?
C37 C37A C36 C35 -109.4(16) . . . . ?
C37 C37A C36 C40A -62.4(9) . . . . ?
C37 C37A C36 C38A -27.7(8) . . . . ?
C37 C37A C36 C36A -166.8(12) . . . . ?
C37 C36A C36 C35 -121.8(18) . . . . ?
C37 C36A C36 C40A -94.0(19) . . . . ?
C37 C36A C36 C38A -14.8(11) . . . . ?
C37 C36A C36 C37A 14.3(13) . . . . ?
C37 C38 C39 C40A -11(2) . . . . ?
C37 C38 C39 C39A 38(2) . . . . ?
C37 C38 C39 C40 -5(2) . . . . ?
C38 C40A C39A C38A -78.2(19) . . . . ?
C38 C40A C39A C37 -50.3(19) . . . . ?
C38 C40A C39A C39 112(2) . . . . ?
C38 C40A C39A C40 166(3) . . . . ?
C38 C40A C39 C39A -19.0(9) . . . . ?
C38 C40A C39 C40 -161(3) . . . . ?
C38 C39A C38A C37A -132.7(15) . . . . ?
C38 C39A C38A C36 -115.4(15) . . . . ?
C38 C39A C38A C37 -77.7(15) . . . . ?
C38 C39A C37 C38A 81.4(17) . . . . ?
C38 C39A C37 C37A 139.7(19) . . . . ?
C38 C39A C37 C36A -178.4(18) . . . . ?
C38 C39A C37 C36 -160(2) . . . . ?
C38 C39A C39 C40A 131.3(17) . . . . ?
C38 C39A C39 C40 142.5(19) . . . . ?
C38 C39A C40 C35 68(3) . . . . ?
C38 C39A C40 C39 -101(3) . . . . ?
C38 C38A C37A C36A -35.1(9) . . . . ?
C38 C38A C37A C36 -8.8(10) . . . . ?
C38 C38A C37A C37 32.1(12) . . . . ?
C38 C38A C37 C39A -31.7(5) . . . . ?
C38 C38A C37 C37A -158.6(8) . . . . ?
C38 C38A C37 C36A -124.4(10) . . . . ?
C38 C38A C37 C36 -113.4(17) . . . . ?
C38 C39 C40 C35 4(2) . . . . ?
C38 C39 C40 C39A 17.0(10) . . . . ?
C39 C40A C39A C38A 170.0(16) . . . . ?
C39 C40A C39A C37 -162.1(17) . . . . ?
C39 C40A C39A C38 -112(2) . . . . ?
C39 C40A C39A C40 54(3) . . . . ?
C39 C39A C37 C38A -168(2) . . . . ?
C39 C39A C37 C37A -110(3) . . . . ?
C39 C39A C37 C36A -68(3) . . . . ?
C39 C39A C37 C36 -50(3) . . . . ?
C39 C39A C37 C38 110(3) . . . . ?
C39 C39A C38 C40A -84(2) . . . . ?
C39 C39A C38 C38A 173.4(15) . . . . ?
C39 C39A C38 C37 -146.5(17) . . . . ?
C39 C39A C40 C35 169.3(17) . . . . ?
C40 C35 C40A C39A 139(2) . . . . ?
C40 C35 C40A C36 165(3) . . . . ?
C40 C35 C40A C38 154(3) . . . . ?
C40 C35 C40A C39 125(4) . . . . ?
C40 C35 C36A C37A -16.9(10) . . . . ?
C40 C35 C36A C36 -64.7(15) . . . . ?
C40 C35 C36A C37 -38.5(11) . . . . ?
C40 C35 C36 C40A -5.3(9) . . . . ?
C40 C35 C36 C38A 28.7(13) . . . . ?
C40 C35 C36 C37A 76.4(17) . . . . ?
C40 C35 C36 C36A 134.6(11) . . . . ?
C40 C35 C36 C37 6.2(19) . . . . ?
C40 C39A C38A C37A 12.2(7) . . . . ?
C40 C39A C38A C36 29.4(9) . . . . ?
C40 C39A C38A C37 67.2(11) . . . . ?
C40 C39A C38A C38 144.9(17) . . . . ?
C40 C39A C37 C38A -127.4(9) . . . . ?
C40 C39A C37 C37A -69.2(11) . . . . ?
C40 C39A C37 C36A -27.3(10) . . . . ?
C40 C39A C37 C36 -8.8(13) . . . . ?
C40 C39A C37 C38 151.1(18) . . . . ?
C40 C39A C38 C40A -5.2(11) . . . . ?
C40 C39A C38 C38A -108(2) . . . . ?
C40 C39A C38 C37 -68(3) . . . . ?
C40 C39A C38 C39 79(3) . . . . ?
C40 C39A C39 C40A -11.2(8) . . . . ?
C40 C39A C39 C38 -142.5(19) . . . . ?
C41 P2 C34A C33 -170.4(18) . . . . ?
C41 P2 C34A C33A 158.7(7) . . . . ?
C41 P2 C34A C34 144.2(9) . . . . ?
C41 P2 C35 C40A 161.5(5) . . . . ?
C41 P2 C35 C36A -19.6(5) . . . . ?
C41 P2 C35 C36 17.1(11) . . . . ?
C41 P2 C35 C40 174.2(8) . . . . ?
C41 C41A C42A C43A -123.0(13) . . . . ?
C41 C41A C42A C45 -71.5(9) . . . . ?
C41 C41A C42A C46 -38.0(18) . . . . ?
C41 C41A C46 C42A 139.4(19) . . . . ?
C41 C41A C46 C43A -168.2(13) . . . . ?
C41 C41A C46 C45 -110(2) . . . . ?
C41 C41A C46 C46A -111.1(12) . . . . ?
C41 C41A C46A C45A 111.6(13) . . . . ?
C41 C41A C46A C46 81.1(14) . . . . ?
C41 C42 C43 C44 4.6(17) . . . . ?
C41 C42A C43A C44A -48(2) . . . . ?
C41 C42A C43A C45 28.9(13) . . . . ?
C41 C42A C43A C46 -0.2(14) . . . . ?
C41 C42A C45 C43A -158.9(9) . . . . ?
C41 C42A C45 C44 13(2) . . . . ?
C41 C42A C45 C44A -122.2(6) . . . . ?
C41 C42A C45 C46 -11.8(17) . . . . ?
C41 C42A C46 C41A -66(3) . . . . ?
C41 C42A C46 C43A 180(2) . . . . ?
C41 C42A C46 C45 153(4) . . . . ?
C41 C42A C46 C46A -103(3) . . . . ?
C41A P2 C34A C33 -152.1(16) . . . . ?
C41A P2 C34A C33A 176.9(5) . . . . ?
C41A P2 C34A C34 162.5(8) . . . . ?
C41A P2 C34A C41 18.2(5) . . . . ?
C41A P2 C35 C40A 119.7(5) . . . . ?
C41A P2 C35 C36A -61.3(4) . . . . ?
C41A P2 C35 C36 -24.6(11) . . . . ?
C41A P2 C35 C40 132.4(8) . . . . ?
C41A P2 C41 C34A -152.0(7) . . . . ?
C41A P2 C41 C42 145.4(14) . . . . ?
C41A P2 C41 C42A -38.7(4) . . . . ?
C41A P2 C41 C46 -31.4(8) . . . . ?
C41A C41 C42 C43 -53.1(19) . . . . ?
C41A C41 C46 C42A -80(3) . . . . ?
C41A C41 C46 C43A 102(7) . . . . ?
C41A C41 C46 C45 132.3(19) . . . . ?
C41A C41 C46 C46A 33.9(8) . . . . ?
C41A C42A C43A C44A 1(2) . . . . ?
C41A C42A C43A C45 77.9(13) . . . . ?
C41A C42A C43A C46 48.8(16) . . . . ?
C41A C42A C45 C43A -119.3(10) . . . . ?
C41A C42A C45 C44 52(2) . . . . ?
C41A C42A C45 C44A -82.7(8) . . . . ?
C41A C42A C45 C46 27.8(16) . . . . ?
C41A C42A C46 C41 66(3) . . . . ?
C41A C42A C46 C43A -114.2(12) . . . . ?
C41A C42A C46 C45 -140.7(19) . . . . ?
C41A C42A C46 C46A -36.8(9) . . . . ?
C42 C41 C41A P2 -142.8(15) . . . . ?
C42 C41 C41A C42A 101.0(14) . . . . ?
C42 C41 C41A C46 81.3(16) . . . . ?
C42 C41 C41A C46A -30.5(18) . . . . ?
C42 C41 C46 C41A -129.9(12) . . . . ?
C42 C41 C46 C42A 151(3) . . . . ?
C42 C41 C46 C43A -28(7) . . . . ?
C42 C41 C46 C45 2(2) . . . . ?
C42 C41 C46 C46A -96.0(10) . . . . ?
C42 C43 C44 C45 -6.0(19) . . . . ?
C42A C41 C41A P2 116.3(7) . . . . ?
C42A C41 C41A C46 -19.6(10) . . . . ?
C42A C41 C41A C46A -131.4(13) . . . . ?
C42A C41 C42 C43 5.4(17) . . . . ?
C42A C41 C46 C41A 80(3) . . . . ?
C42A C41 C46 C43A -179(100) . . . . ?
C42A C41 C46 C45 -148(4) . . . . ?
C42A C41 C46 C46A 114(3) . . . . ?
C42A C41A C46 C41 -139.4(19) . . . . ?
C42A C41A C46 C43A 52.4(14) . . . . ?
C42A C41A C46 C45 110(3) . . . . ?
C42A C41A C46 C46A 109.5(19) . . . . ?
C42A C41A C46A C45A -5.0(19) . . . . ?
C42A C41A C46A C46 -35.5(11) . . . . ?
C42A C43A C44A C45 67.9(13) . . . . ?
C42A C43A C44A C45A -4(2) . . . . ?
C42A C43A C45 C44 -165(4) . . . . ?
C42A C43A C45 C44A -124.6(10) . . . . ?
C42A C43A C45 C46 -14.3(9) . . . . ?
C42A C43A C46 C41 179(100) . . . . ?
C42A C43A C46 C41A -84(2) . . . . ?
C42A C43A C46 C45 144(2) . . . . ?
C42A C43A C46 C46A -114(2) . . . . ?
C42A C45 C46 C41 160(3) . . . . ?
C42A C45 C46 C41A -113(3) . . . . ?
C42A C45 C46 C43A -27.2(18) . . . . ?
C42A C45 C46 C46A -113(2) . . . . ?
C43 C44 C45 C42A -6(3) . . . . ?
C43 C44 C45 C43A 153(3) . . . . ?
C43 C44 C45 C44A 121.0(13) . . . . ?
C43 C44 C45 C46 6(2) . . . . ?
C43A C42A C45 C44 171(2) . . . . ?
C43A C42A C45 C44A 36.6(6) . . . . ?
C43A C42A C45 C46 147(2) . . . . ?
C43A C42A C46 C41 -180(2) . . . . ?
C43A C42A C46 C41A 114.2(12) . . . . ?
C43A C42A C46 C45 -26.5(17) . . . . ?
C43A C42A C46 C46A 77.3(13) . . . . ?
C43A C44A C45A C46A 3(2) . . . . ?
C43A C45 C46 C41 -172.8(15) . . . . ?
C43A C45 C46 C41A -86(2) . . . . ?
C43A C45 C46 C42A 27.2(18) . . . . ?
C43A C45 C46 C46A -85.5(9) . . . . ?
C44 C45 C46 C41 -4(2) . . . . ?
C44 C45 C46 C41A 83(2) . . . . ?
C44 C45 C46 C42A -163.8(19) . . . . ?
C44 C45 C46 C43A 169.0(17) . . . . ?
C44 C45 C46 C46A 83.4(14) . . . . ?
C44A C43A C45 C42A 124.6(10) . . . . ?
C44A C43A C45 C44 -40(4) . . . . ?
C44A C43A C45 C46 110.3(10) . . . . ?
C44A C43A C46 C41 -42(7) . . . . ?
C44A C43A C46 C41A 54.9(17) . . . . ?
C44A C43A C46 C42A 139(2) . . . . ?
C44A C43A C46 C45 -76.5(12) . . . . ?
C44A C43A C46 C46A 25.0(11) . . . . ?
C44A C45 C46 C41 -129.7(13) . . . . ?
C44A C45 C46 C41A -43(2) . . . . ?
C44A C45 C46 C42A 70.3(19) . . . . ?
C44A C45 C46 C43A 43.1(6) . . . . ?
C44A C45 C46 C46A -42.5(9) . . . . ?
C44A C45A C46A C41A 1(2) . . . . ?
C44A C45A C46A C46 14.3(15) . . . . ?
C45 C42A C43A C44A -77.1(14) . . . . ?
C45 C42A C43A C46 -29.1(19) . . . . ?
C45 C42A C46 C41 -153(4) . . . . ?
C45 C42A C46 C41A 140.7(19) . . . . ?
C45 C42A C46 C43A 26.5(17) . . . . ?
C45 C42A C46 C46A 103.9(13) . . . . ?
C45 C43A C44A C45A -71.9(13) . . . . ?
C45 C43A C46 C41 35(7) . . . . ?
C45 C43A C46 C41A 131.4(18) . . . . ?
C45 C43A C46 C42A -144(2) . . . . ?
C45 C43A C46 C46A 101.5(11) . . . . ?
C45 C44A C45A C46A -39.1(15) . . . . ?
C46 C41 C41A P2 135.9(10) . . . . ?
C46 C41 C41A C42A 19.6(10) . . . . ?
C46 C41 C41A C46A -111.8(15) . . . . ?
C46 C41 C42 C43 -3.0(17) . . . . ?
C46 C41A C42A C41 38.0(18) . . . . ?
C46 C41A C42A C43A -85(2) . . . . ?
C46 C41A C42A C45 -33.5(16) . . . . ?
C46 C41A C46A C45A 30.5(18) . . . . ?
C46 C42A C43A C44A -48(2) . . . . ?
C46 C42A C43A C45 29.1(19) . . . . ?
C46 C42A C45 C43A -147(2) . . . . ?
C46 C42A C45 C44 24(3) . . . . ?
C46 C42A C45 C44A -110.5(19) . . . . ?
C46 C43A C44A C45 50.0(7) . . . . ?
C46 C43A C44A C45A -21.9(15) . . . . ?
C46 C43A C45 C42A 14.3(9) . . . . ?
C46 C43A C45 C44 -151(4) . . . . ?
C46 C43A C45 C44A -110.3(10) . . . . ?
C46A C41A C42A C41 127.0(15) . . . . ?
C46A C41A C42A C43A 4(2) . . . . ?
C46A C41A C42A C45 55.5(14) . . . . ?
C46A C41A C42A C46 89(2) . . . . ?
C46A C41A C46 C41 111.1(12) . . . . ?
C46A C41A C46 C42A -109.5(19) . . . . ?
C46A C41A C46 C43A -57.1(16) . . . . ?
C46A C41A C46 C45 1(3) . . . . ?
C47 C48 C49 C50 0.1(13) . . . . ?
C48 C47 C52 P4 -175.0(5) . . . . ?
C48 C47 C52 C51 -0.3(9) . . . . ?
C48 C49 C50 C51 0.2(13) . . . . ?
C49 C50 C51 C52 -0.5(12) . . . . ?
C50 C51 C52 P4 175.2(5) . . . . ?
C50 C51 C52 C47 0.6(9) . . . . ?
C52 P4 C58 C53 53.7(5) . . . . ?
C52 P4 C58 C57 -127.5(4) . . . . ?
C52 P4 C59 C60 -163.3(3) . . . . ?
C52 C47 C48 C49 -0.1(11) . . . . ?
C53 C54 C55 C56 0.9(12) . . . . ?
C54 C53 C58 P4 179.4(5) . . . . ?
C54 C53 C58 C57 0.6(9) . . . . ?
C54 C55 C56 C57 0.4(12) . . . . ?
C55 C56 C57 C58 -1.1(11) . . . . ?
C56 C57 C58 P4 -178.2(5) . . . . ?
C56 C57 C58 C53 0.7(9) . . . . ?
C58 P4 C52 C47 -155.2(5) . . . . ?
C58 P4 C52 C51 30.3(5) . . . . ?
C58 P4 C59 C60 -54.5(4) . . . . ?
C58 C53 C54 C55 -1.4(11) . . . . ?
C59 P4 C52 C47 -47.2(5) . . . . ?
C59 P4 C52 C51 138.3(5) . . . . ?
C59 P4 C58 C53 -53.8(5) . . . . ?
C59 P4 C58 C57 125.0(4) . . . . ?
C60 P3 C61 C62 135.6(4) . . . . ?
C60 P3 C61 C66 -46.7(4) . . . . ?
C60 P3 C67 C68 132.4(6) . . . . ?
C60 P3 C67 C72 -54.9(5) . . . . ?
C61 P3 C60 C59 -63.1(4) . . . . ?
C61 P3 C67 C68 22.8(6) . . . . ?
C61 P3 C67 C72 -164.6(4) . . . . ?
C61 C62 C63 C64 1.9(8) . . . . ?
C62 C61 C66 C65 0.0(7) . . . . ?
C62 C63 C64 C65 -1.5(9) . . . . ?
C63 C64 C65 C66 0.3(8) . . . . ?
C64 C65 C66 C61 0.5(8) . . . . ?
C66 C61 C62 C63 -1.2(7) . . . . ?
C67 P3 C60 C59 -172.9(3) . . . . ?
C67 P3 C61 C62 -115.4(4) . . . . ?
C67 P3 C61 C66 62.3(4) . . . . ?
C67 C68 C69 C70 -1.3(15) . . . . ?
C68 C67 C72 C71 -2.3(9) . . . . ?
C68 C69 C70 C71 -0.5(16) . . . . ?
C69 C70 C71 C72 0.9(13) . . . . ?
C70 C71 C72 C67 0.5(10) . . . . ?
C72 C67 C68 C69 2.7(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 -0.334 -0.379 -0.334 915.3 231.3 ?
2 0.044 0.178 0.542 7.3 0.0 ?
3 -0.044 0.822 0.458 7.3 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.266
_oxdiff_exptl_absorpt_empirical_full_min 0.697
####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 2102457'
loop_
_audit_author_name
_audit_author_address
'Di Sun'
;Shandong university
China
;
_audit_update_record             
;
2021-08-10 deposited with the CCDC.	2021-11-02 downloaded from the CCDC.
;
_audit_creation_date             2021-08-10
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C140 H156 Cu28 F24 O16 P8 S4'
_chemical_formula_sum            'C140 H156 Cu28 F24 O16 P8 S4'
_chemical_formula_weight         4705.76
_chemical_melting_point          ?
_chemical_oxdiff_formula         CuS
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'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 1 2/m 1'
_space_group_name_Hall           '-C 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'

_cell_length_a                   21.3652(7)
_cell_length_b                   28.1638(9)
_cell_length_c                   17.7736(6)
_cell_angle_alpha                90
_cell_angle_beta                 100.122(3)
_cell_angle_gamma                90
_cell_volume                     10528.4(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9897
_cell_measurement_temperature    172.99(10)
_cell_measurement_theta_max      75.4480
_cell_measurement_theta_min      3.8530
_shelx_estimated_absorpt_T_max   0.878
_shelx_estimated_absorpt_T_min   0.718
_exptl_absorpt_coefficient_mu    4.437
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.55377
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.484
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4672
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0614
_diffrn_reflns_av_unetI/netI     0.0486
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            32688
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        67.072
_diffrn_reflns_theta_max         67.072
_diffrn_reflns_theta_min         3.375
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      172.99(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     31.00  67.00   1.00    0.40    --   48.32  64.00  43.00   36
  2  ω     -8.00  19.00   1.00    0.40    --   48.32 -64.00 -92.00   27
  3  ω     37.00  64.00   1.00    0.40    --   48.32 -64.00 -92.00   27
  4  ω    -66.00  23.00   1.00    0.40    --  -48.32  64.00  43.00   89
  5  ω   -119.00 -31.00   1.00    0.40    --  -48.32 -64.00 -92.00   88
  6  ω    -76.00 -50.00   1.00    3.00    --  -86.25  64.00  43.00   26
  7  ω    -43.00 -13.00   1.00    3.00    --  -86.25  38.00-120.00   30
  8  ω    -42.00 -13.00   1.00    3.00    --  -86.25  38.00-150.00   29
  9  ω   -100.00 -75.00   1.00    3.00    --  -86.25 -64.00 -92.00   25
 10  ω   -157.00-131.00   1.00    3.00    --  -86.25 -64.00 -92.00   26
 11  ω     88.00 177.00   1.00    3.00    --  106.49  77.00   0.00   89
 12  ω     92.00 178.00   1.00    3.00    --  106.49  64.00  43.00   86
 13  ω     94.00 178.00   1.00    3.00    --  106.49  19.00 -30.00   84
 14  ω     39.00  76.00   1.00    3.00    --  106.49 -64.00 -92.00   37
 15  ω     35.00  66.00   1.00    3.00    --  106.49 -57.00-180.00   31
 16  ω     34.00 101.00   1.00    3.00    --  106.49 -99.00-150.00   67
 17  ω     36.00 111.00   1.00    3.00    --  106.49-125.00-150.00   75
 18  ω     34.00 106.00   1.00    3.00    --  106.49 -99.00   0.00   72
 19  ω   -121.00 -86.00   1.00    3.00    --  -86.25 -64.00 -92.00   35
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_specimen_support 'Mitegen 50um'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0358702000
_diffrn_orient_matrix_UB_12      0.0369878000
_diffrn_orient_matrix_UB_13      0.0553289000
_diffrn_orient_matrix_UB_21      -0.0357600000
_diffrn_orient_matrix_UB_22      -0.0170735000
_diffrn_orient_matrix_UB_23      0.0630963000
_diffrn_orient_matrix_UB_31      0.0529125000
_diffrn_orient_matrix_UB_32      -0.0365356000
_diffrn_orient_matrix_UB_33      0.0265093000
_diffrn_radiation_collimation    0.3
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_current           24.0
_diffrn_source_power             1.2
_diffrn_source_target            Mo
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7592
_reflns_number_total             9437
_reflns_odcompleteness_completeness 98.24
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.902
_refine_diff_density_min         -1.079
_refine_diff_density_rms         0.154
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     593
_refine_ls_number_reflns         9437
_refine_ls_number_restraints     197
_refine_ls_R_factor_all          0.0875
_refine_ls_R_factor_gt           0.0753
_refine_ls_restrained_S_all      1.025
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1557P)²+50.4898P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2146
_refine_ls_wR_factor_ref         0.2294
_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
 H-Cu3
 2 with sigma of 0.01
 F2-F9_$1
 2.35 with sigma of 0.01
 C39-F3
 1.4 with sigma of 0.01
 C39-F9
 1.4 with sigma of 0.01
 F7-F3
 2.35 with sigma of 0.01
 C39-F7
 1.4 with sigma of 0.01
 F9-F2
 2.35 with sigma of 0.01
 C39-F9_$1
 1.4 with sigma of 0.01
 F3_$1-F7
 2.35 with sigma of 0.01
 C39-F3_$1
 1.4 with sigma of 0.01
 F3-F3_$1
 2.35 with sigma of 0.01
 C39-F2
 1.4 with sigma of 0.01
 F9_$1-F9
 2.35 with sigma of 0.01
 O3-C19
 1.2 with sigma of 0.01
 C19-O2
 1.2 with sigma of 0.02
 C22-C29
 1.54 with sigma of 0.01
 C22-C34
 1.54 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
O2 \\sim O2 \\sim O3 \\sim C19 \\sim C19 \\sim C39: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008 within 2A
F4 \\sim F6 \\sim F8 \\sim O4 \\sim O5 \\sim C11 \\sim C14: within 2A with
sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
F2 \\sim F3 \\sim F7 \\sim F9 \\sim O2 \\sim O3 \\sim C19 \\sim C39: within 2A
with sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
S1 \\sim C2 \\sim C9 \\sim C10 \\sim C37: within 2A with sigma of 0.004 and
sigma for terminal atoms of 0.008 within 2A
F1 \\sim F1 \\sim F5 \\sim F5 \\sim F10 \\sim F10 \\sim C1 \\sim C20: within 2A
with sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
C15 \\sim C17 \\sim C25 \\sim C33 \\sim C35 \\sim C36: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008 within 2A
4. Others
 Fixed Sof: Cu1(0.65) Cu1A(0.35) F1(0.5) F2(0.25) F3(0.5) F5(0.5) F7(0.25)
 F9(0.5) F10(0.5) O2(0.5) C2(0.5) H2B(0.5) H2A(0.5) H2C(0.5) C9(0.5) H9A(0.5)
 H9B(0.5) H9C(0.5) C19(0.5) H29C(0.5) H29B(0.5) H29A(0.5) C37(0.5) H37C(0.5)
 H37B(0.5) H37A(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C12(H12A,H12B), C18(H18A,H18B)
5.b Me refined with riding coordinates:
 C9(H9A,H9B,H9C), C29(H29C,H29B,H29A)
5.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C7(H7), C13(H13), C15(H15), C17(H17), C21(H21), C23(H23),
 C24(H24), C25(H25), C26(H26), C27(H27), C28(H28), C30(H30), C31(H31), C32(H32),
  C33(H33), C35(H35), C38(H38), C40(H40)
5.d Idealised Me refined as rotating group:
 C2(H2B,H2A,H2C), C34(H34C,H34A,H34B), C37(H37C,H37B,H37A)
;
_atom_sites_solution_hydrogens   mixed
_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
Cu1 Cu 0.44220(12) 0.43051(9) 0.70916(14) 0.0508(5) Uani 0.65 1 d . . P . .
H H 0.381(4) 0.5680(9) 0.621(5) 0.08(3) Uiso 1 1 d D . . . .
Cu1A Cu 0.4193(2) 0.43893(19) 0.7216(3) 0.0553(11) Uani 0.35 1 d . . P . .
Cu2 Cu 0.43848(4) 0.44428(3) 0.56792(5) 0.0382(2) Uani 1 1 d . . . . .
HA H 0.503(2) 0.4072(18) 0.626(3) 0.020(11) Uiso 1 1 d . . . . .
HB H 0.614(3) 0.415(2) 0.529(3) 0.039(15) Uiso 1 1 d . . . . .
HC H 0.458(3) 0.500000 0.536(4) 0.012(14) Uiso 1 2 d S . P . .
Cu3 Cu 0.35761(7) 0.500000 0.62941(9) 0.0620(4) Uani 1 2 d DS T P C .
Cu4 Cu 0.54063(5) 0.500000 0.55456(6) 0.0377(3) Uani 1 2 d S T P . .
HD H 0.597(4) 0.500000 0.637(5) 0.05(3) Uiso 1 2 d S . P . .
Cu5 Cu 0.31978(4) 0.42586(3) 0.53871(5) 0.0485(3) Uani 1 1 d . . . . .
Cu6 Cu 0.64381(4) 0.45436(3) 0.58260(5) 0.0397(2) Uani 1 1 d . . . . .
Cu7 Cu 0.54711(4) 0.39987(3) 0.56004(5) 0.0397(2) Uani 1 1 d . . . . .
Cu8 Cu 0.54991(4) 0.45348(3) 0.67795(5) 0.0454(3) Uani 1 1 d . . . . .
S1 S 0.28672(9) 0.500000 0.48185(12) 0.0439(4) Uani 1 2 d S TU P C .
S2 S 0.49119(11) 0.500000 0.75325(11) 0.0441(5) Uani 1 2 d S T P . .
P1 P 0.27180(8) 0.35483(6) 0.53716(10) 0.0531(4) Uani 1 1 d . . . . .
P2 P 0.41890(10) 0.36216(7) 0.76792(10) 0.0625(5) Uani 1 1 d . . . . .
F1 F 0.4563(7) 0.2360(4) 0.5216(9) 0.085(3) Uani 0.5 1 d . U P A -1
F2 F 0.2712(8) 0.500000 0.8706(10) 0.158(4) Uani 0.5 2 d DS TU P B 1
F3 F 0.2343(7) 0.54201(17) 0.8368(9) 0.154(4) Uani 0.5 1 d D U P B 2
F4 F 0.7238(4) 0.3705(3) 0.8343(4) 0.131(2) Uani 1 1 d . U . . .
F5 F 0.5563(6) 0.2368(5) 0.5196(10) 0.095(4) Uani 0.5 1 d . U P A -1
F6 F 0.7886(3) 0.4146(4) 0.7930(4) 0.135(2) Uani 1 1 d . U . . .
F7 F 0.1771(8) 0.500000 0.7345(10) 0.150(4) Uani 0.5 2 d DS TU P B 2
F8 F 0.7260(4) 0.4417(3) 0.8641(4) 0.131(2) Uani 1 1 d . U . . .
F9 F 0.1966(7) 0.45803(17) 0.7852(10) 0.158(4) Uani 0.5 1 d D U P B 1
F10 F 0.4948(5) 0.2403(3) 0.4184(7) 0.090(3) Uani 0.5 1 d . U P A -1
O1 O 0.5437(2) 0.32853(15) 0.5456(3) 0.0566(11) Uani 1 1 d . . . . .
O2 O 0.3285(9) 0.5472(7) 0.7654(12) 0.139(3) Uani 0.5 1 d D U P B 2
O3 O 0.2861(5) 0.500000 0.6958(9) 0.135(3) Uani 1 2 d DS TU P . .
O4 O 0.6980(3) 0.4281(2) 0.6764(3) 0.0801(14) Uani 1 1 d . U . . .
O5 O 0.6248(3) 0.4265(2) 0.7515(3) 0.0778(14) Uani 1 1 d . U . . .
C1 C 0.500000 0.3094(3) 0.500000 0.068(2) Uani 1 2 d S TU P A .
C2 C 0.1773(7) 0.5478(6) 0.4209(11) 0.066(3) Uani 0.5 1 d . U P C -1
H2B H 0.178313 0.564910 0.469140 0.100 Uiso 0.5 1 calc R U P C -1
H2A H 0.133622 0.546874 0.392664 0.100 Uiso 0.5 1 calc R U P C -1
H2C H 0.204608 0.564116 0.390212 0.100 Uiso 0.5 1 calc R U P C -1
C3 C 0.1682(7) 0.3079(4) 0.3004(7) 0.113(5) Uani 1 1 d . . . . .
H3 H 0.147311 0.298273 0.251123 0.136 Uiso 1 1 calc R U . . .
C4 C 0.2143(3) 0.3476(3) 0.6012(4) 0.0631(19) Uani 1 1 d . . . . .
C5 C 0.1450(5) 0.2984(5) 0.6616(7) 0.100(3) Uani 1 1 d . . . . .
H5 H 0.127405 0.268238 0.669403 0.120 Uiso 1 1 calc R U . . .
C6 C 0.4830(4) 0.3196(3) 0.7897(4) 0.073(2) Uani 1 1 d . . . . .
C7 C 0.1291(6) 0.3365(6) 0.6986(9) 0.129(5) Uani 1 1 d . . . . .
H7 H 0.099428 0.332823 0.732218 0.155 Uiso 1 1 calc R U . . .
C8 C 0.3586(4) 0.3289(3) 0.7032(4) 0.0592(17) Uani 1 1 d . . . . .
H8A H 0.348900 0.298983 0.728120 0.071 Uiso 1 1 calc R U . . .
H8B H 0.318997 0.347805 0.691900 0.071 Uiso 1 1 calc R U . . .
C9 C 0.1671(8) 0.4724(7) 0.4925(12) 0.082(3) Uani 0.5 1 d . U P C -1
H9A H 0.185522 0.440477 0.499848 0.122 Uiso 0.5 1 calc R U P C -1
H9B H 0.173050 0.488992 0.541705 0.122 Uiso 0.5 1 calc R U P C -1
H9C H 0.121595 0.469897 0.471809 0.122 Uiso 0.5 1 calc R U P C -1
C10 C 0.2001(4) 0.500000 0.4368(6) 0.0596(15) Uani 1 2 d S TU P . .
C11 C 0.7294(6) 0.4155(5) 0.8065(6) 0.1014(18) Uani 1 1 d . U . . .
C12 C 0.3283(3) 0.3057(3) 0.5631(4) 0.0580(16) Uani 1 1 d . . . . .
H12A H 0.304902 0.277651 0.577049 0.070 Uiso 1 1 calc R U . . .
H12B H 0.347245 0.297106 0.517928 0.070 Uiso 1 1 calc R U . . .
C13 C 0.5930(7) 0.3012(5) 0.7976(7) 0.107(4) Uani 1 1 d . . . . .
H13 H 0.634563 0.310786 0.791922 0.129 Uiso 1 1 calc R U . . .
C14 C 0.6773(5) 0.4226(4) 0.7345(5) 0.0836(14) Uani 1 1 d . U . . .
C15 C 0.3955(7) 0.3560(6) 0.9928(7) 0.126(2) Uani 1 1 d . U . . .
H15 H 0.419947 0.348192 1.041237 0.152 Uiso 1 1 calc R U . . .
C16 C 0.2289(4) 0.3345(3) 0.4442(4) 0.0638(19) Uani 1 1 d . . . . .
C17 C 0.2936(8) 0.3809(6) 0.9142(8) 0.141(3) Uani 1 1 d . U . . .
H17 H 0.249644 0.387702 0.910852 0.169 Uiso 1 1 calc R U . . .
C18 C 0.3817(3) 0.3176(2) 0.6293(4) 0.0550(16) Uani 1 1 d . . . . .
H18A H 0.411305 0.290291 0.638147 0.066 Uiso 1 1 calc R U . . .
H18B H 0.405702 0.345154 0.614859 0.066 Uiso 1 1 calc R U . . .
C19 C 0.2907(11) 0.5173(9) 0.7562(11) 0.142(3) Uani 0.5 1 d D U P B 2
C20 C 0.500000 0.2554(4) 0.500000 0.076(2) Uani 1 2 d S TU P . .
C21 C 0.5840(7) 0.2575(5) 0.8213(7) 0.115(4) Uani 1 1 d . . . . .
H21 H 0.618547 0.235835 0.831641 0.137 Uiso 1 1 calc R U . . .
C22 C 0.5113(6) 0.500000 0.8588(5) 0.081(4) Uani 1 2 d DS T P . .
C23 C 0.4736(6) 0.2748(4) 0.8146(7) 0.104(4) Uani 1 1 d . . . . .
H23 H 0.432106 0.265346 0.820702 0.125 Uiso 1 1 calc R U . . .
C24 C 0.1629(4) 0.3309(3) 0.4285(5) 0.080(3) Uani 1 1 d . . . . .
H24 H 0.138799 0.337369 0.467470 0.096 Uiso 1 1 calc R U . . .
C25 C 0.4207(7) 0.3521(6) 0.9255(6) 0.119(2) Uani 1 1 d . U . . .
H25 H 0.463048 0.341103 0.928256 0.143 Uiso 1 1 calc R U . . .
C26 C 0.2641(5) 0.3248(3) 0.3861(5) 0.075(2) Uani 1 1 d . . . . .
H26 H 0.309078 0.327483 0.396807 0.091 Uiso 1 1 calc R U . . .
C27 C 0.5224(9) 0.2435(5) 0.8309(9) 0.137(6) Uani 1 1 d . . . . .
H27 H 0.515178 0.212530 0.848696 0.164 Uiso 1 1 calc R U . . .
C28 C 0.1875(4) 0.3035(4) 0.6117(5) 0.078(2) Uani 1 1 d . . . . .
H28 H 0.198565 0.276694 0.584376 0.093 Uiso 1 1 calc R U . . .
C29 C 0.4473(7) 0.500000 0.8891(7) 0.103(5) Uani 1 2 d DS T P . .
H29C H 0.423668 0.529107 0.872592 0.154 Uiso 0.5 1 calc R U P D -1
H29B H 0.421986 0.472340 0.868801 0.154 Uiso 0.5 1 calc R U P D -1
H29A H 0.455824 0.498553 0.945076 0.154 Uiso 0.5 1 calc R U P D -1
C30 C 0.5440(4) 0.3328(4) 0.7811(5) 0.076(2) Uani 1 1 d . . . . .
H30 H 0.551636 0.363777 0.763815 0.091 Uiso 1 1 calc R U . . .
C31 C 0.1549(7) 0.3825(5) 0.6900(9) 0.133(5) Uani 1 1 d . . . . .
H31 H 0.142848 0.408817 0.717748 0.160 Uiso 1 1 calc R U . . .
C32 C 0.1321(6) 0.3179(4) 0.3554(7) 0.108(4) Uani 1 1 d . . . . .
H32 H 0.086995 0.315957 0.343840 0.130 Uiso 1 1 calc R U . . .
C33 C 0.3236(8) 0.3794(6) 0.8502(7) 0.133(2) Uani 1 1 d . U . . .
H33 H 0.300784 0.389122 0.801857 0.159 Uiso 1 1 calc R U . . .
C34 C 0.5430(6) 0.5452(3) 0.8867(5) 0.092(3) Uani 1 1 d D . . . .
H34C H 0.543207 0.548381 0.941676 0.138 Uiso 1 1 calc R U . . .
H34A H 0.519934 0.571958 0.859604 0.138 Uiso 1 1 calc R U . . .
H34B H 0.586885 0.545056 0.877364 0.138 Uiso 1 1 calc R U . . .
C35 C 0.3350(8) 0.3712(6) 0.9857(7) 0.135(3) Uani 1 1 d . U . . .
H35 H 0.318384 0.375853 1.031286 0.162 Uiso 1 1 calc R U . . .
C36 C 0.3859(7) 0.3639(6) 0.8560(6) 0.117(2) Uani 1 1 d . U . . .
C37 C 0.1929(7) 0.4681(6) 0.3644(11) 0.070(3) Uani 0.5 1 d . U P C -1
H37C H 0.215317 0.438016 0.377298 0.104 Uiso 0.5 1 calc R U P C -1
H37B H 0.211125 0.484372 0.324576 0.104 Uiso 0.5 1 calc R U P C -1
H37A H 0.147740 0.461754 0.345777 0.104 Uiso 0.5 1 calc R U P C -1
C38 C 0.2346(7) 0.3115(4) 0.3144(6) 0.104(4) Uani 1 1 d . . . . .
H38 H 0.258515 0.304911 0.275300 0.125 Uiso 1 1 calc R U . . .
C39 C 0.2311(7) 0.500000 0.7959(9) 0.150(3) Uani 1 2 d DS TU P . .
C40 C 0.1981(5) 0.3884(4) 0.6399(7) 0.095(3) Uani 1 1 d . . . . .
H40 H 0.215882 0.418531 0.632297 0.114 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 Cu1A 0.618(4) . ?
Cu1 Cu2 2.528(3) . ?
Cu1 Cu3 2.865(3) . ?
Cu1 Cu8 2.544(2) . ?
Cu1 S2 2.292(3) . ?
Cu1 P2 2.286(3) . ?
Cu1A Cu2 2.837(4) . ?
Cu1A Cu3 2.574(6) . ?
Cu1A Cu8 3.052(4) . ?
Cu1A S2 2.308(5) . ?
Cu1A P2 2.314(6) . ?
Cu1A O2 2.250(15) 6_565 ?
Cu2 HA 1.88(5) . ?
Cu2 HC 1.74(3) . ?
Cu2 Cu3 2.7031(13) . ?
Cu2 Cu4 2.7825(11) 5_666 ?
Cu2 Cu4 2.7322(11) . ?
Cu2 Cu5 2.5508(12) . ?
Cu2 Cu6 2.9453(12) 2_656 ?
Cu2 Cu7 2.6604(11) 2_656 ?
Cu2 Cu7 2.6616(11) . ?
Cu2 Cu8 2.8149(12) . ?
Cu3 H 1.994(10) . ?
Cu3 Cu5 2.6747(14) 6_565 ?
Cu3 Cu5 2.6747(14) . ?
Cu3 S1 2.789(3) . ?
Cu3 O3 2.087(10) . ?
Cu4 HC 1.73(6) . ?
Cu4 Cu4 2.365(2) 5_666 ?
Cu4 HD 1.72(10) . ?
Cu4 Cu6 2.5248(12) 6_565 ?
Cu4 Cu6 2.5248(12) . ?
Cu4 Cu7 2.8242(8) 6_565 ?
Cu4 Cu7 2.8242(8) . ?
Cu4 Cu8 2.5323(12) . ?
Cu4 Cu8 2.5323(12) 6_565 ?
Cu5 Cu6 2.5469(12) 2_656 ?
Cu5 S1 2.3726(14) . ?
Cu5 P1 2.2459(19) . ?
Cu6 HB 1.53(6) . ?
Cu6 HD 1.98(7) . ?
Cu6 Cu6 2.5710(16) 6_565 ?
Cu6 Cu7 2.5481(11) . ?
Cu6 Cu8 2.8447(12) . ?
Cu6 S1 2.4010(18) 5_666 ?
Cu6 O4 1.996(6) . ?
Cu7 HA 1.64(5) . ?
Cu7 HB 1.68(6) . ?
Cu7 Cu7 2.6642(16) 2_656 ?
Cu7 Cu8 2.5749(11) . ?
Cu7 O1 2.025(4) . ?
Cu8 HA 1.80(5) . ?
Cu8 HD 1.88(7) . ?
Cu8 Cu8 2.6206(17) 6_565 ?
Cu8 S2 2.3817(18) . ?
Cu8 O5 2.028(6) . ?
S1 C10 1.883(9) . ?
S2 C22 1.849(10) . ?
P1 C4 1.827(7) . ?
P1 C12 1.841(8) . ?
P1 C16 1.834(7) . ?
P2 C6 1.810(10) . ?
P2 C8 1.828(7) . ?
P2 C36 1.828(10) . ?
F1 C20 1.202(13) . ?
F2 C39 1.448(9) . ?
F3 C39 1.384(6) . ?
F4 C11 1.372(15) . ?
F5 C20 1.302(13) . ?
F6 C11 1.329(13) . ?
F7 C39 1.443(9) . ?
F8 C11 1.276(14) . ?
F9 C39 1.389(6) . ?
F10 C20 1.496(12) . ?
O1 C1 1.246(6) . ?
O2 C19 1.157(17) . ?
O3 C19 1.168(10) 6_565 ?
O3 C19 1.168(10) . ?
O4 C14 1.204(10) . ?
O5 C14 1.216(10) . ?
C1 C20 1.522(14) . ?
C2 H2B 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2C 0.9800 . ?
C2 C10 1.442(16) . ?
C3 H3 0.9500 . ?
C3 C32 1.38(2) . ?
C3 C38 1.400(19) . ?
C4 C28 1.393(12) . ?
C4 C40 1.412(14) . ?
C5 H5 0.9500 . ?
C5 C7 1.332(19) . ?
C5 C28 1.385(14) . ?
C6 C23 1.362(14) . ?
C6 C30 1.389(13) . ?
C7 H7 0.9500 . ?
C7 C31 1.43(2) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C18 1.515(10) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C9 C10 1.53(2) . ?
C10 C37 1.55(2) . ?
C11 C14 1.555(15) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C18 1.525(10) . ?
C13 H13 0.9500 . ?
C13 C21 1.326(19) . ?
C13 C30 1.365(15) . ?
C15 H15 0.9500 . ?
C15 C25 1.399(15) . ?
C15 C35 1.35(2) . ?
C16 C24 1.393(12) . ?
C16 C26 1.405(13) . ?
C17 H17 0.9500 . ?
C17 C33 1.402(18) . ?
C17 C35 1.44(2) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C19 0.97(5) 6_565 ?
C19 C39 1.63(2) . ?
C21 H21 0.9500 . ?
C21 C27 1.41(2) . ?
C22 C29 1.556(9) . ?
C22 C34 1.486(8) . ?
C22 C34 1.486(8) 6_565 ?
C23 H23 0.9500 . ?
C23 C27 1.357(19) . ?
C24 H24 0.9500 . ?
C24 C32 1.400(14) . ?
C25 H25 0.9500 . ?
C25 C36 1.366(19) . ?
C26 H26 0.9500 . ?
C26 C38 1.372(13) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 H29C 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29A 0.9800 . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C31 C40 1.401(14) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C33 C36 1.39(2) . ?
C34 H34C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C35 H35 0.9500 . ?
C37 H37C 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37A 0.9800 . ?
C38 H38 0.9500 . ?
C40 H40 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
Cu1A Cu1 Cu2 114.1(7) . . ?
Cu1A Cu1 Cu3 56.3(7) . . ?
Cu1A Cu1 Cu8 141.5(7) . . ?
Cu1A Cu1 S2 83.8(7) . . ?
Cu1A Cu1 P2 84.8(7) . . ?
Cu2 Cu1 Cu3 59.78(6) . . ?
Cu2 Cu1 Cu8 67.43(6) . . ?
Cu8 Cu1 Cu3 103.57(9) . . ?
S2 Cu1 Cu2 98.12(10) . . ?
S2 Cu1 Cu3 78.24(9) . . ?
S2 Cu1 Cu8 58.74(8) . . ?
P2 Cu1 Cu2 127.70(12) . . ?
P2 Cu1 Cu3 129.22(11) . . ?
P2 Cu1 Cu8 126.28(13) . . ?
P2 Cu1 S2 133.31(13) . . ?
Cu1 Cu1A Cu2 54.4(6) . . ?
Cu1 Cu1A Cu3 112.1(7) . . ?
Cu1 Cu1A Cu8 31.2(6) . . ?
Cu1 Cu1A S2 80.8(7) . . ?
Cu1 Cu1A P2 79.7(7) . . ?
Cu1 Cu1A O2 167.3(10) . 6_565 ?
Cu2 Cu1A Cu8 56.97(8) . . ?
Cu3 Cu1A Cu2 59.71(11) . . ?
Cu3 Cu1A Cu8 97.88(15) . . ?
S2 Cu1A Cu2 89.57(15) . . ?
S2 Cu1A Cu3 84.35(18) . . ?
S2 Cu1A Cu8 50.45(10) . . ?
S2 Cu1A P2 130.8(2) . . ?
P2 Cu1A Cu2 113.72(19) . . ?
P2 Cu1A Cu3 144.8(2) . . ?
P2 Cu1A Cu8 106.07(18) . . ?
O2 Cu1A Cu2 127.1(6) 6_565 . ?
O2 Cu1A Cu3 74.2(6) 6_565 . ?
O2 Cu1A Cu8 161.4(6) 6_565 . ?
O2 Cu1A S2 111.3(6) 6_565 . ?
O2 Cu1A P2 89.0(5) 6_565 . ?
Cu1 Cu2 Cu1A 11.47(11) . . ?
Cu1 Cu2 HA 58.7(15) . . ?
Cu1 Cu2 HC 119.3(19) . . ?
Cu1 Cu2 Cu3 66.31(7) . . ?
Cu1 Cu2 Cu4 151.90(7) . 5_666 ?
Cu1 Cu2 Cu4 106.75(7) . . ?
Cu1 Cu2 Cu5 91.58(6) . . ?
Cu1 Cu2 Cu6 145.73(7) . 2_656 ?
Cu1 Cu2 Cu7 142.08(7) . 2_656 ?
Cu1 Cu2 Cu7 96.01(7) . . ?
Cu1 Cu2 Cu8 56.56(6) . . ?
Cu1A Cu2 HA 70.1(15) . . ?
Cu1A Cu2 HC 116.2(19) . . ?
Cu1A Cu2 Cu6 135.71(11) . 2_656 ?
HA Cu2 HC 119(3) . . ?
Cu3 Cu2 Cu1A 55.31(11) . . ?
Cu3 Cu2 HA 124.0(15) . . ?
Cu3 Cu2 HC 79.4(18) . . ?
Cu3 Cu2 Cu4 106.18(4) . . ?
Cu3 Cu2 Cu4 100.99(4) . 5_666 ?
Cu3 Cu2 Cu6 89.39(4) . 2_656 ?
Cu3 Cu2 Cu8 100.86(5) . . ?
Cu4 Cu2 Cu1A 111.52(11) . . ?
Cu4 Cu2 Cu1A 148.60(11) 5_666 . ?
Cu4 Cu2 HA 122.6(15) 5_666 . ?
Cu4 Cu2 HA 81.3(15) . . ?
Cu4 Cu2 HC 38(2) . . ?
Cu4 Cu2 HC 32.8(19) 5_666 . ?
Cu4 Cu2 Cu4 50.77(4) . 5_666 ?
Cu4 Cu2 Cu6 102.95(4) . 2_656 ?
Cu4 Cu2 Cu6 52.22(3) 5_666 2_656 ?
Cu4 Cu2 Cu8 54.30(3) . . ?
Cu4 Cu2 Cu8 105.02(4) 5_666 . ?
Cu5 Cu2 Cu1A 83.04(11) . . ?
Cu5 Cu2 HA 127.1(15) . . ?
Cu5 Cu2 HC 114(2) . . ?
Cu5 Cu2 Cu3 61.12(4) . . ?
Cu5 Cu2 Cu4 151.62(4) . . ?
Cu5 Cu2 Cu4 104.24(4) . 5_666 ?
Cu5 Cu2 Cu6 54.64(3) . 2_656 ?
Cu5 Cu2 Cu7 137.62(4) . . ?
Cu5 Cu2 Cu7 89.47(4) . 2_656 ?
Cu5 Cu2 Cu8 148.14(4) . . ?
Cu6 Cu2 HA 144.2(15) 2_656 . ?
Cu6 Cu2 HC 76(2) 2_656 . ?
Cu7 Cu2 Cu1A 148.91(11) 2_656 . ?
Cu7 Cu2 Cu1A 107.48(11) . . ?
Cu7 Cu2 HA 91.3(15) 2_656 . ?
Cu7 Cu2 HA 37.6(15) . . ?
Cu7 Cu2 HC 94.4(18) 2_656 . ?
Cu7 Cu2 HC 98.2(19) . . ?
Cu7 Cu2 Cu3 142.83(5) 2_656 . ?
Cu7 Cu2 Cu3 156.82(5) . . ?
Cu7 Cu2 Cu4 87.86(3) . 5_666 ?
Cu7 Cu2 Cu4 63.13(3) . . ?
Cu7 Cu2 Cu4 88.94(3) 2_656 . ?
Cu7 Cu2 Cu4 62.47(3) 2_656 5_666 ?
Cu7 Cu2 Cu6 53.78(3) 2_656 2_656 ?
Cu7 Cu2 Cu6 112.61(4) . 2_656 ?
Cu7 Cu2 Cu7 60.08(4) 2_656 . ?
Cu7 Cu2 Cu8 56.01(3) . . ?
Cu7 Cu2 Cu8 115.24(4) 2_656 . ?
Cu8 Cu2 Cu1A 65.37(10) . . ?
Cu8 Cu2 HA 39.2(15) . . ?
Cu8 Cu2 HC 85(2) . . ?
Cu8 Cu2 Cu6 156.80(4) . 2_656 ?
Cu1 Cu3 Cu1 86.20(11) 6_565 . ?
Cu1 Cu3 H 123(3) . . ?
Cu1 Cu3 H 40(3) 6_565 . ?
Cu1A Cu3 Cu1 86.18(10) 6_565 . ?
Cu1A Cu3 Cu1 11.53(8) 6_565 6_565 ?
Cu1A Cu3 Cu1 11.53(8) . . ?
Cu1A Cu3 Cu1 86.18(10) . 6_565 ?
Cu1A Cu3 H 126(3) . . ?
Cu1A Cu3 H 45(3) 6_565 . ?
Cu1A Cu3 Cu1A 83.9(2) . 6_565 ?
Cu1A Cu3 Cu2 110.68(12) 6_565 . ?
Cu1A Cu3 Cu2 64.98(10) . . ?
Cu1A Cu3 Cu2 110.68(12) . 6_565 ?
Cu1A Cu3 Cu2 64.98(10) 6_565 6_565 ?
Cu1A Cu3 Cu5 166.47(13) . 6_565 ?
Cu1A Cu3 Cu5 85.92(12) 6_565 6_565 ?
Cu1A Cu3 Cu5 166.47(13) 6_565 . ?
Cu1A Cu3 Cu5 85.92(12) . . ?
Cu1A Cu3 S1 137.04(11) 6_565 . ?
Cu1A Cu3 S1 137.04(12) . . ?
Cu2 Cu3 Cu1 101.79(7) 6_565 . ?
Cu2 Cu3 Cu1 53.91(5) 6_565 6_565 ?
Cu2 Cu3 Cu1 53.90(5) . . ?
Cu2 Cu3 Cu1 101.79(7) . 6_565 ?
Cu2 Cu3 H 39(3) 6_565 . ?
Cu2 Cu3 H 110(3) . . ?
Cu2 Cu3 Cu2 70.99(5) . 6_565 ?
Cu2 Cu3 S1 84.25(5) . . ?
Cu2 Cu3 S1 84.25(5) 6_565 . ?
Cu5 Cu3 Cu1 82.09(6) . . ?
Cu5 Cu3 Cu1 158.31(7) 6_565 . ?
Cu5 Cu3 Cu1 158.30(7) . 6_565 ?
Cu5 Cu3 Cu1 82.09(6) 6_565 6_565 ?
Cu5 Cu3 H 139(3) . . ?
Cu5 Cu3 H 42(3) 6_565 . ?
Cu5 Cu3 Cu2 110.88(5) 6_565 . ?
Cu5 Cu3 Cu2 110.88(5) . 6_565 ?
Cu5 Cu3 Cu2 56.63(3) 6_565 6_565 ?
Cu5 Cu3 Cu2 56.63(3) . . ?
Cu5 Cu3 Cu5 102.64(7) . 6_565 ?
Cu5 Cu3 S1 51.43(3) 6_565 . ?
Cu5 Cu3 S1 51.43(3) . . ?
S1 Cu3 Cu1 131.04(6) . . ?
S1 Cu3 Cu1 131.04(6) . 6_565 ?
S1 Cu3 H 92(3) . . ?
O3 Cu3 Cu1 100.4(3) . 6_565 ?
O3 Cu3 Cu1 100.4(3) . . ?
O3 Cu3 H 105(3) . . ?
O3 Cu3 Cu1A 89.1(3) . 6_565 ?
O3 Cu3 Cu1A 89.1(3) . . ?
O3 Cu3 Cu2 144.26(5) . . ?
O3 Cu3 Cu2 144.26(6) . 6_565 ?
O3 Cu3 Cu5 99.6(3) . 6_565 ?
O3 Cu3 Cu5 99.6(3) . . ?
O3 Cu3 S1 101.6(4) . . ?
Cu2 Cu4 Cu2 70.12(4) . 6_565 ?
Cu2 Cu4 Cu2 68.67(4) 2_656 5_666 ?
Cu2 Cu4 Cu2 129.23(4) 6_565 2_656 ?
Cu2 Cu4 Cu2 129.23(4) . 5_666 ?
Cu2 Cu4 Cu2 89.11(4) 6_565 5_666 ?
Cu2 Cu4 Cu2 89.11(4) . 2_656 ?
Cu2 Cu4 HC 38.3(8) . . ?
Cu2 Cu4 HC 38.3(8) 6_565 . ?
Cu2 Cu4 HC 98.7(17) 5_666 . ?
Cu2 Cu4 HC 98.7(17) 2_656 . ?
Cu2 Cu4 HD 119(2) 2_656 . ?
Cu2 Cu4 HD 119(2) 5_666 . ?
Cu2 Cu4 HD 112(2) 6_565 . ?
Cu2 Cu4 HD 112(2) . . ?
Cu2 Cu4 Cu7 56.64(2) 2_656 . ?
Cu2 Cu4 Cu7 125.21(4) 2_656 6_565 ?
Cu2 Cu4 Cu7 57.21(2) . . ?
Cu2 Cu4 Cu7 127.27(4) 6_565 . ?
Cu2 Cu4 Cu7 125.21(4) 5_666 . ?
Cu2 Cu4 Cu7 127.27(4) . 6_565 ?
Cu2 Cu4 Cu7 56.65(2) 5_666 6_565 ?
Cu2 Cu4 Cu7 57.21(2) 6_565 6_565 ?
HC Cu4 HD 134(4) . . ?
Cu4 Cu4 Cu2 63.51(4) 5_666 5_666 ?
Cu4 Cu4 Cu2 63.51(4) 5_666 2_656 ?
Cu4 Cu4 Cu2 65.72(4) 5_666 6_565 ?
Cu4 Cu4 Cu2 65.72(4) 5_666 . ?
Cu4 Cu4 HC 43(2) 5_666 . ?
Cu4 Cu4 HD 177(3) 5_666 . ?
Cu4 Cu4 Cu6 130.66(6) 5_666 6_565 ?
Cu4 Cu4 Cu6 130.66(6) 5_666 . ?
Cu4 Cu4 Cu7 93.03(3) 5_666 6_565 ?
Cu4 Cu4 Cu7 93.03(3) 5_666 . ?
Cu4 Cu4 Cu8 130.15(6) 5_666 . ?
Cu4 Cu4 Cu8 130.15(6) 5_666 6_565 ?
Cu6 Cu4 Cu2 111.93(3) 6_565 6_565 ?
Cu6 Cu4 Cu2 100.78(4) 6_565 2_656 ?
Cu6 Cu4 Cu2 67.21(3) 6_565 5_666 ?
Cu6 Cu4 Cu2 111.93(3) . . ?
Cu6 Cu4 Cu2 163.42(5) . 6_565 ?
Cu6 Cu4 Cu2 67.21(3) . 2_656 ?
Cu6 Cu4 Cu2 163.42(5) 6_565 . ?
Cu6 Cu4 Cu2 100.78(4) . 5_666 ?
Cu6 Cu4 HC 149.30(16) 6_565 . ?
Cu6 Cu4 HC 149.30(16) . . ?
Cu6 Cu4 HD 51(2) . . ?
Cu6 Cu4 HD 51(2) 6_565 . ?
Cu6 Cu4 Cu6 61.21(4) . 6_565 ?
Cu6 Cu4 Cu7 117.76(4) . 6_565 ?
Cu6 Cu4 Cu7 56.56(3) 6_565 6_565 ?
Cu6 Cu4 Cu7 56.56(3) . . ?
Cu6 Cu4 Cu7 117.76(4) 6_565 . ?
Cu6 Cu4 Cu8 68.46(4) 6_565 6_565 ?
Cu6 Cu4 Cu8 99.19(5) 6_565 . ?
Cu6 Cu4 Cu8 99.19(5) . 6_565 ?
Cu6 Cu4 Cu8 68.46(4) . . ?
Cu7 Cu4 HC 92.78(7) . . ?
Cu7 Cu4 HC 92.78(6) 6_565 . ?
Cu7 Cu4 HD 87.02(6) . . ?
Cu7 Cu4 HD 87.01(7) 6_565 . ?
Cu7 Cu4 Cu7 173.72(5) 6_565 . ?
Cu8 Cu4 Cu2 112.75(3) 6_565 5_666 ?
Cu8 Cu4 Cu2 64.51(3) . . ?
Cu8 Cu4 Cu2 166.03(5) 6_565 2_656 ?
Cu8 Cu4 Cu2 64.52(3) 6_565 6_565 ?
Cu8 Cu4 Cu2 112.75(3) . 2_656 ?
Cu8 Cu4 Cu2 99.45(4) . 6_565 ?
Cu8 Cu4 Cu2 99.45(4) 6_565 . ?
Cu8 Cu4 Cu2 166.03(5) . 5_666 ?
Cu8 Cu4 HC 94.8(17) 6_565 . ?
Cu8 Cu4 HC 94.8(17) . . ?
Cu8 Cu4 HD 48(2) 6_565 . ?
Cu8 Cu4 HD 48(2) . . ?
Cu8 Cu4 Cu7 119.40(4) 6_565 . ?
Cu8 Cu4 Cu7 119.39(4) . 6_565 ?
Cu8 Cu4 Cu7 57.15(3) 6_565 6_565 ?
Cu8 Cu4 Cu7 57.15(3) . . ?
Cu8 Cu4 Cu8 62.32(5) . 6_565 ?
Cu2 Cu5 Cu3 62.25(4) . . ?
Cu6 Cu5 Cu2 70.59(3) 2_656 . ?
Cu6 Cu5 Cu3 99.17(4) 2_656 . ?
S1 Cu5 Cu2 96.82(5) . . ?
S1 Cu5 Cu3 66.76(6) . . ?
S1 Cu5 Cu6 58.30(5) . 2_656 ?
P1 Cu5 Cu2 128.24(7) . . ?
P1 Cu5 Cu3 142.35(7) . . ?
P1 Cu5 Cu6 118.48(6) . 2_656 ?
P1 Cu5 S1 132.66(7) . . ?
Cu2 Cu6 HB 41(2) 2_656 . ?
Cu2 Cu6 HD 104(3) 2_656 . ?
HB Cu6 HD 126(3) . . ?
Cu4 Cu6 Cu2 60.58(3) . 2_656 ?
Cu4 Cu6 HB 90(2) . . ?
Cu4 Cu6 HD 43(3) . . ?
Cu4 Cu6 Cu5 112.29(4) . 2_656 ?
Cu4 Cu6 Cu6 59.39(2) . 6_565 ?
Cu4 Cu6 Cu7 67.66(3) . . ?
Cu4 Cu6 Cu8 55.90(3) . . ?
Cu5 Cu6 Cu2 54.77(3) 2_656 2_656 ?
Cu5 Cu6 HB 53(2) 2_656 . ?
Cu5 Cu6 HD 151(2) 2_656 . ?
Cu5 Cu6 Cu6 108.37(3) 2_656 6_565 ?
Cu5 Cu6 Cu7 92.11(4) 2_656 . ?
Cu5 Cu6 Cu8 148.63(4) 2_656 . ?
Cu6 Cu6 Cu2 95.53(2) 6_565 2_656 ?
Cu6 Cu6 HB 136(2) 6_565 . ?
Cu6 Cu6 HD 49.4(18) 6_565 . ?
Cu6 Cu6 Cu8 90.50(2) 6_565 . ?
Cu7 Cu6 Cu2 57.38(3) . 2_656 ?
Cu7 Cu6 HB 39(2) . . ?
Cu7 Cu6 HD 90(2) . . ?
Cu7 Cu6 Cu6 127.03(3) . 6_565 ?
Cu7 Cu6 Cu8 56.72(3) . . ?
Cu8 Cu6 Cu2 99.75(3) . 2_656 ?
Cu8 Cu6 HB 96(2) . . ?
Cu8 Cu6 HD 41.2(18) . . ?
S1 Cu6 Cu2 86.48(6) 5_666 2_656 ?
S1 Cu6 HB 108(2) 5_666 . ?
S1 Cu6 Cu4 102.99(5) 5_666 . ?
S1 Cu6 HD 106.9(18) 5_666 . ?
S1 Cu6 Cu5 57.22(4) 5_666 2_656 ?
S1 Cu6 Cu6 57.63(3) 5_666 6_565 ?
S1 Cu6 Cu7 143.08(6) 5_666 . ?
S1 Cu6 Cu8 148.07(5) 5_666 . ?
O4 Cu6 Cu2 152.7(2) . 2_656 ?
O4 Cu6 HB 112(2) . . ?
O4 Cu6 Cu4 135.34(17) . . ?
O4 Cu6 HD 96(3) . . ?
O4 Cu6 Cu5 111.81(17) . 2_656 ?
O4 Cu6 Cu6 111.7(2) . 6_565 ?
O4 Cu6 Cu7 104.1(2) . . ?
O4 Cu6 Cu8 82.29(17) . . ?
O4 Cu6 S1 106.2(2) . 5_666 ?
Cu2 Cu7 Cu2 93.28(4) 2_656 . ?
Cu2 Cu7 HA 44.4(17) . . ?
Cu2 Cu7 HA 135.9(17) 2_656 . ?
Cu2 Cu7 HB 135(2) . . ?
Cu2 Cu7 HB 50(2) 2_656 . ?
Cu2 Cu7 Cu4 60.89(3) 2_656 . ?
Cu2 Cu7 Cu4 59.65(3) . . ?
Cu2 Cu7 Cu7 59.99(3) 2_656 2_656 ?
Cu2 Cu7 Cu7 59.94(3) . 2_656 ?
HA Cu7 HB 147(3) . . ?
Cu4 Cu7 HA 82.5(17) . . ?
Cu4 Cu7 HB 77(2) . . ?
Cu6 Cu7 Cu2 68.83(3) . 2_656 ?
Cu6 Cu7 Cu2 113.53(4) . . ?
Cu6 Cu7 HA 111.5(17) . . ?
Cu6 Cu7 HB 36(2) . . ?
Cu6 Cu7 Cu4 55.78(3) . . ?
Cu6 Cu7 Cu7 127.13(4) . 2_656 ?
Cu6 Cu7 Cu8 67.46(3) . . ?
Cu7 Cu7 HA 96.9(17) 2_656 . ?
Cu7 Cu7 HB 107(2) 2_656 . ?
Cu7 Cu7 Cu4 86.95(3) 2_656 . ?
Cu8 Cu7 Cu2 115.50(4) . 2_656 ?
Cu8 Cu7 Cu2 65.01(3) . . ?
Cu8 Cu7 HA 44.1(17) . . ?
Cu8 Cu7 HB 103(2) . . ?
Cu8 Cu7 Cu4 55.71(3) . . ?
Cu8 Cu7 Cu7 123.93(4) . 2_656 ?
O1 Cu7 Cu2 111.43(15) . 2_656 ?
O1 Cu7 Cu2 117.39(13) . . ?
O1 Cu7 HA 101.6(17) . . ?
O1 Cu7 HB 103(2) . . ?
O1 Cu7 Cu4 170.33(15) . . ?
O1 Cu7 Cu6 128.89(14) . . ?
O1 Cu7 Cu7 83.87(14) . 2_656 ?
O1 Cu7 Cu8 132.82(15) . . ?
Cu1 Cu8 Cu1A 7.24(13) . . ?
Cu1 Cu8 Cu2 56.01(6) . . ?
Cu1 Cu8 HA 58.9(15) . . ?
Cu1 Cu8 HD 146(2) . . ?
Cu1 Cu8 Cu6 153.11(7) . . ?
Cu1 Cu8 Cu7 97.81(7) . . ?
Cu1 Cu8 Cu8 104.73(6) . 6_565 ?
Cu1A Cu8 HA 65.3(15) . . ?
Cu1A Cu8 HD 140(2) . . ?
Cu2 Cu8 Cu1A 57.66(10) . . ?
Cu2 Cu8 HA 41.2(16) . . ?
Cu2 Cu8 HD 104(3) . . ?
Cu2 Cu8 Cu6 100.71(4) . . ?
HA Cu8 HD 126(3) . . ?
Cu4 Cu8 Cu1 112.60(7) . . ?
Cu4 Cu8 Cu1A 110.72(11) . . ?
Cu4 Cu8 Cu2 61.18(3) . . ?
Cu4 Cu8 HA 88.6(15) . . ?
Cu4 Cu8 HD 43(3) . . ?
Cu4 Cu8 Cu6 55.64(3) . . ?
Cu4 Cu8 Cu7 67.14(3) . . ?
Cu4 Cu8 Cu8 58.84(2) . 6_565 ?
Cu6 Cu8 Cu1A 157.61(10) . . ?
Cu6 Cu8 HA 95.0(15) . . ?
Cu6 Cu8 HD 44(2) . . ?
Cu7 Cu8 Cu1A 103.70(10) . . ?
Cu7 Cu8 Cu2 58.99(3) . . ?
Cu7 Cu8 HA 39.2(15) . . ?
Cu7 Cu8 HD 92(2) . . ?
Cu7 Cu8 Cu6 55.82(3) . . ?
Cu7 Cu8 Cu8 125.90(3) . 6_565 ?
Cu8 Cu8 Cu1A 97.72(10) 6_565 . ?
Cu8 Cu8 Cu2 95.28(2) 6_565 . ?
Cu8 Cu8 HA 136.4(16) 6_565 . ?
Cu8 Cu8 HD 46(2) 6_565 . ?
Cu8 Cu8 Cu6 89.50(2) 6_565 . ?
S2 Cu8 Cu1 55.34(7) . . ?
S2 Cu8 Cu1A 48.36(10) . . ?
S2 Cu8 Cu2 88.64(6) . . ?
S2 Cu8 HA 112.7(15) . . ?
S2 Cu8 Cu4 103.49(5) . . ?
S2 Cu8 HD 102(2) . . ?
S2 Cu8 Cu6 145.72(5) . . ?
S2 Cu8 Cu7 147.21(7) . . ?
S2 Cu8 Cu8 56.62(3) . 6_565 ?
O5 Cu8 Cu1 113.94(18) . . ?
O5 Cu8 Cu1A 116.02(19) . . ?
O5 Cu8 Cu2 152.7(2) . . ?
O5 Cu8 HA 111.5(16) . . ?
O5 Cu8 Cu4 133.24(17) . . ?
O5 Cu8 HD 95(3) . . ?
O5 Cu8 Cu6 80.09(16) . . ?
O5 Cu8 Cu7 101.97(18) . . ?
O5 Cu8 Cu8 112.0(2) . 6_565 ?
O5 Cu8 S2 106.15(18) . . ?
Cu5 S1 Cu3 61.81(5) . . ?
Cu5 S1 Cu3 61.81(5) 6_565 . ?
Cu5 S1 Cu5 123.30(10) . 6_565 ?
Cu5 S1 Cu6 120.78(8) 6_565 2_656 ?
Cu5 S1 Cu6 64.49(4) . 2_656 ?
Cu5 S1 Cu6 64.49(4) 6_565 5_666 ?
Cu5 S1 Cu6 120.77(8) . 5_666 ?
Cu6 S1 Cu3 99.76(7) 2_656 . ?
Cu6 S1 Cu3 99.76(7) 5_666 . ?
Cu6 S1 Cu6 64.74(6) 5_666 2_656 ?
C10 S1 Cu3 137.0(4) . . ?
C10 S1 Cu5 112.21(12) . 6_565 ?
C10 S1 Cu5 112.21(12) . . ?
C10 S1 Cu6 116.2(3) . 2_656 ?
C10 S1 Cu6 116.2(3) . 5_666 ?
Cu1 S2 Cu1 117.30(16) 6_565 . ?
Cu1 S2 Cu1A 15.44(9) 6_565 6_565 ?
Cu1 S2 Cu1A 107.99(16) . 6_565 ?
Cu1 S2 Cu1A 107.99(16) 6_565 . ?
Cu1 S2 Cu1A 15.44(9) . . ?
Cu1 S2 Cu8 65.92(7) 6_565 6_565 ?
Cu1 S2 Cu8 122.12(10) 6_565 . ?
Cu1 S2 Cu8 122.12(10) . 6_565 ?
Cu1 S2 Cu8 65.93(7) . . ?
Cu1A S2 Cu1A 96.4(3) . 6_565 ?
Cu1A S2 Cu8 81.18(11) 6_565 6_565 ?
Cu1A S2 Cu8 131.81(14) . 6_565 ?
Cu1A S2 Cu8 81.19(11) . . ?
Cu1A S2 Cu8 131.81(14) 6_565 . ?
Cu8 S2 Cu8 66.75(7) . 6_565 ?
C22 S2 Cu1 110.95(17) . . ?
C22 S2 Cu1 110.95(17) . 6_565 ?
C22 S2 Cu1A 105.8(3) . . ?
C22 S2 Cu1A 105.8(3) . 6_565 ?
C22 S2 Cu8 121.2(3) . . ?
C22 S2 Cu8 121.2(3) . 6_565 ?
C4 P1 Cu5 116.6(3) . . ?
C4 P1 C12 104.1(4) . . ?
C4 P1 C16 104.0(4) . . ?
C12 P1 Cu5 112.9(2) . . ?
C16 P1 Cu5 116.3(2) . . ?
C16 P1 C12 101.1(3) . . ?
Cu1 P2 Cu1A 15.43(8) . . ?
C6 P2 Cu1 116.0(3) . . ?
C6 P2 Cu1A 130.2(3) . . ?
C6 P2 C8 102.6(4) . . ?
C6 P2 C36 103.0(6) . . ?
C8 P2 Cu1 109.3(3) . . ?
C8 P2 Cu1A 107.6(3) . . ?
C36 P2 Cu1 121.1(5) . . ?
C36 P2 Cu1A 107.8(5) . . ?
C36 P2 C8 102.5(5) . . ?
C1 O1 Cu7 121.2(5) . . ?
C19 O3 Cu3 124.6(13) 6_565 . ?
C19 O3 Cu3 124.6(13) . . ?
C19 O3 C19 49(3) 6_565 . ?
C14 O4 Cu6 121.2(6) . . ?
C14 O5 Cu8 122.1(5) . . ?
O1 C1 O1 128.8(9) . 2_656 ?
O1 C1 C20 115.6(4) . . ?
O1 C1 C20 115.6(4) 2_656 . ?
H2B C2 H2A 109.5 . . ?
H2B C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
C10 C2 H2B 109.5 . . ?
C10 C2 H2A 109.5 . . ?
C10 C2 H2C 109.5 . . ?
C32 C3 H3 118.8 . . ?
C32 C3 C38 122.5(10) . . ?
C38 C3 H3 118.8 . . ?
C28 C4 P1 121.3(7) . . ?
C28 C4 C40 121.1(8) . . ?
C40 C4 P1 117.5(6) . . ?
C7 C5 H5 120.5 . . ?
C7 C5 C28 119.1(11) . . ?
C28 C5 H5 120.5 . . ?
C23 C6 P2 122.2(8) . . ?
C23 C6 C30 118.5(10) . . ?
C30 C6 P2 119.2(7) . . ?
C5 C7 H7 118.6 . . ?
C5 C7 C31 122.8(10) . . ?
C31 C7 H7 118.6 . . ?
P2 C8 H8A 109.5 . . ?
P2 C8 H8B 109.5 . . ?
H8A C8 H8B 108.1 . . ?
C18 C8 P2 110.6(5) . . ?
C18 C8 H8A 109.5 . . ?
C18 C8 H8B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C10 C9 H9A 109.5 . . ?
C10 C9 H9B 109.5 . . ?
C10 C9 H9C 109.5 . . ?
C2 C10 S1 110.8(7) . . ?
C2 C10 C9 115.1(12) . . ?
C2 C10 C37 113.4(13) . . ?
C9 C10 S1 104.8(9) . . ?
C9 C10 C37 104.6(10) . . ?
C37 C10 S1 107.4(7) . . ?
F4 C11 C14 108.7(11) . . ?
F6 C11 F4 101.1(9) . . ?
F6 C11 C14 114.8(9) . . ?
F8 C11 F4 103.1(9) . . ?
F8 C11 F6 110.3(12) . . ?
F8 C11 C14 116.9(9) . . ?
P1 C12 H12A 108.9 . . ?
P1 C12 H12B 108.9 . . ?
H12A C12 H12B 107.7 . . ?
C18 C12 P1 113.4(5) . . ?
C18 C12 H12A 108.9 . . ?
C18 C12 H12B 108.9 . . ?
C21 C13 H13 119.2 . . ?
C21 C13 C30 121.6(13) . . ?
C30 C13 H13 119.2 . . ?
O4 C14 O5 134.1(9) . . ?
O4 C14 C11 113.9(9) . . ?
O5 C14 C11 111.4(8) . . ?
C25 C15 H15 121.6 . . ?
C35 C15 H15 121.6 . . ?
C35 C15 C25 116.8(14) . . ?
C24 C16 P1 122.0(7) . . ?
C24 C16 C26 119.5(8) . . ?
C26 C16 P1 118.4(6) . . ?
C33 C17 H17 122.8 . . ?
C33 C17 C35 114.4(15) . . ?
C35 C17 H17 122.8 . . ?
C8 C18 C12 113.7(6) . . ?
C8 C18 H18A 108.8 . . ?
C8 C18 H18B 108.8 . . ?
C12 C18 H18A 108.8 . . ?
C12 C18 H18B 108.8 . . ?
H18A C18 H18B 107.7 . . ?
O2 C19 O3 112(2) . . ?
O2 C19 C39 137.0(17) . . ?
O3 C19 C39 109.1(15) . . ?
C19 C19 O2 136.7(18) 6_565 . ?
C19 C19 O3 65.4(14) 6_565 . ?
C19 C19 C39 72.7(9) 6_565 . ?
F1 C20 F5 117.7(10) . . ?
F1 C20 F10 104.6(9) . . ?
F1 C20 C1 117.1(8) . . ?
F5 C20 F10 93.0(9) . . ?
F5 C20 C1 113.7(7) . . ?
F10 C20 C1 106.4(6) . . ?
C13 C21 H21 120.4 . . ?
C13 C21 C27 119.2(12) . . ?
C27 C21 H21 120.4 . . ?
C29 C22 S2 106.9(8) . . ?
C34 C22 S2 110.5(5) . . ?
C34 C22 S2 110.5(5) 6_565 . ?
C34 C22 C29 105.1(7) . . ?
C34 C22 C29 105.1(7) 6_565 . ?
C34 C22 C34 117.8(12) 6_565 . ?
C6 C23 H23 119.4 . . ?
C27 C23 C6 121.3(12) . . ?
C27 C23 H23 119.4 . . ?
C16 C24 H24 120.0 . . ?
C16 C24 C32 120.0(11) . . ?
C32 C24 H24 120.0 . . ?
C15 C25 H25 119.2 . . ?
C36 C25 C15 121.7(15) . . ?
C36 C25 H25 119.2 . . ?
C16 C26 H26 119.4 . . ?
C38 C26 C16 121.3(10) . . ?
C38 C26 H26 119.4 . . ?
C21 C27 H27 120.3 . . ?
C23 C27 C21 119.4(12) . . ?
C23 C27 H27 120.3 . . ?
C4 C28 H28 119.7 . . ?
C5 C28 C4 120.6(11) . . ?
C5 C28 H28 119.7 . . ?
C22 C29 H29C 109.5 . . ?
C22 C29 H29B 109.5 . . ?
C22 C29 H29A 109.5 . . ?
H29C C29 H29B 109.5 . . ?
H29C C29 H29A 109.5 . . ?
H29B C29 H29A 109.5 . . ?
C6 C30 H30 119.9 . . ?
C13 C30 C6 120.1(10) . . ?
C13 C30 H30 119.9 . . ?
C7 C31 H31 120.5 . . ?
C40 C31 C7 119.0(13) . . ?
C40 C31 H31 120.5 . . ?
C3 C32 C24 118.8(11) . . ?
C3 C32 H32 120.6 . . ?
C24 C32 H32 120.6 . . ?
C17 C33 H33 119.4 . . ?
C36 C33 C17 121.2(14) . . ?
C36 C33 H33 119.4 . . ?
C22 C34 H34C 109.5 . . ?
C22 C34 H34A 109.5 . . ?
C22 C34 H34B 109.5 . . ?
H34C C34 H34A 109.5 . . ?
H34C C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C15 C35 C17 125.1(13) . . ?
C15 C35 H35 117.5 . . ?
C17 C35 H35 117.5 . . ?
C25 C36 P2 122.6(11) . . ?
C25 C36 C33 120.4(11) . . ?
C33 C36 P2 117.0(10) . . ?
C10 C37 H37C 109.5 . . ?
C10 C37 H37B 109.5 . . ?
C10 C37 H37A 109.5 . . ?
H37C C37 H37B 109.5 . . ?
H37C C37 H37A 109.5 . . ?
H37B C37 H37A 109.5 . . ?
C3 C38 H38 121.0 . . ?
C26 C38 C3 118.0(12) . . ?
C26 C38 H38 121.0 . . ?
F2 C39 C19 90.9(13) . 6_565 ?
F3 C39 F7 110.8(6) 6_565 . ?
F3 C39 F7 110.8(6) . . ?
F3 C39 C19 90.2(10) . . ?
F3 C39 C19 120.8(14) 6_565 . ?
F7 C39 C19 104.7(13) . . ?
F9 C39 F2 109.9(7) . . ?
F9 C39 F2 109.9(7) 6_565 . ?
F9 C39 F9 116.7(10) . 6_565 ?
F9 C39 C19 129.0(12) 6_565 6_565 ?
F9 C39 C19 97.1(12) . 6_565 ?
C4 C40 H40 121.3 . . ?
C31 C40 C4 117.4(10) . . ?
C31 C40 H40 121.3 . . ?

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
Cu1 S2 C22 C29 -66.13(17) . . . . ?
Cu1 S2 C22 C29 66.13(17) 6_565 . . . ?
Cu1 S2 C22 C34 -47.7(9) 6_565 . . . ?
Cu1 S2 C22 C34 180.0(7) . . . . ?
Cu1 S2 C22 C34 -180.0(7) 6_565 . . 6_565 ?
Cu1 S2 C22 C34 47.7(9) . . . 6_565 ?
Cu1 P2 C6 C23 -170.6(8) . . . . ?
Cu1 P2 C6 C30 9.7(8) . . . . ?
Cu1 P2 C8 C18 58.2(6) . . . . ?
Cu1 P2 C36 C25 -107.0(13) . . . . ?
Cu1 P2 C36 C33 70.8(13) . . . . ?
Cu1A S2 C22 C29 -50.77(16) . . . . ?
Cu1A S2 C22 C29 50.77(16) 6_565 . . . ?
Cu1A S2 C22 C34 63.1(9) . . . 6_565 ?
Cu1A S2 C22 C34 164.6(7) 6_565 . . 6_565 ?
Cu1A S2 C22 C34 -164.6(7) . . . . ?
Cu1A S2 C22 C34 -63.1(9) 6_565 . . . ?
Cu1A P2 C6 C23 -177.9(8) . . . . ?
Cu1A P2 C6 C30 2.4(9) . . . . ?
Cu1A P2 C8 C18 74.4(6) . . . . ?
Cu1A P2 C36 C25 -115.6(13) . . . . ?
Cu1A P2 C36 C33 62.2(13) . . . . ?
Cu1A O2 C19 O3 -30(4) 6_565 . . . ?
Cu1A O2 C19 C19 47(4) 6_565 . . 6_565 ?
Cu1A O2 C19 C39 167.0(19) 6_565 . . . ?
Cu2 Cu1 Cu1A Cu3 -16.2(7) . . . . ?
Cu2 Cu1 Cu1A Cu8 -83.5(10) . . . . ?
Cu2 Cu1 Cu1A S2 -96.1(4) . . . . ?
Cu2 Cu1 Cu1A P2 129.2(4) . . . . ?
Cu2 Cu1 Cu1A O2 101(4) . . . 6_565 ?
Cu3 Cu1 Cu1A Cu2 16.2(7) . . . . ?
Cu3 Cu1 Cu1A Cu8 -67.4(11) . . . . ?
Cu3 Cu1 Cu1A S2 -80.0(4) . . . . ?
Cu3 Cu1 Cu1A P2 145.4(4) . . . . ?
Cu3 Cu1 Cu1A O2 118(5) . . . 6_565 ?
Cu3 S1 C10 C2 92.9(10) . . . . ?
Cu3 S1 C10 C9 -31.8(9) . . . . ?
Cu3 S1 C10 C37 -142.7(8) . . . . ?
Cu3 O3 C19 O2 24(4) . . . . ?
Cu3 O3 C19 C19 -108.4(16) . . . 6_565 ?
Cu3 O3 C19 C39 -168.1(8) . . . . ?
Cu5 S1 C10 C2 164.8(10) . . . . ?
Cu5 S1 C10 C2 21.0(11) 6_565 . . . ?
Cu5 S1 C10 C9 40.1(9) . . . . ?
Cu5 S1 C10 C9 -103.7(8) 6_565 . . . ?
Cu5 S1 C10 C37 145.4(8) 6_565 . . . ?
Cu5 S1 C10 C37 -70.8(9) . . . . ?
Cu5 P1 C4 C28 -172.1(6) . . . . ?
Cu5 P1 C4 C40 7.6(8) . . . . ?
Cu5 P1 C12 C18 41.2(6) . . . . ?
Cu5 P1 C16 C24 -111.3(6) . . . . ?
Cu5 P1 C16 C26 65.2(7) . . . . ?
Cu6 S1 C10 C2 -50.4(11) 5_666 . . . ?
Cu6 S1 C10 C2 -123.7(10) 2_656 . . . ?
Cu6 S1 C10 C9 -175.2(9) 5_666 . . . ?
Cu6 S1 C10 C9 111.6(9) 2_656 . . . ?
Cu6 S1 C10 C37 73.9(8) 5_666 . . . ?
Cu6 S1 C10 C37 0.7(9) 2_656 . . . ?
Cu6 O4 C14 O5 6.3(19) . . . . ?
Cu6 O4 C14 C11 -163.9(8) . . . . ?
Cu7 O1 C1 O1 5.2(2) . . . 2_656 ?
Cu7 O1 C1 C20 -174.8(2) . . . . ?
Cu8 Cu1 Cu1A Cu2 83.5(10) . . . . ?
Cu8 Cu1 Cu1A Cu3 67.4(11) . . . . ?
Cu8 Cu1 Cu1A S2 -12.6(9) . . . . ?
Cu8 Cu1 Cu1A P2 -147.3(9) . . . . ?
Cu8 Cu1 Cu1A O2 -175(4) . . . 6_565 ?
Cu8 S2 C22 C29 -139.95(16) . . . . ?
Cu8 S2 C22 C29 139.95(16) 6_565 . . . ?
Cu8 S2 C22 C34 -106.2(7) 6_565 . . 6_565 ?
Cu8 S2 C22 C34 -26.1(9) . . . 6_565 ?
Cu8 S2 C22 C34 26.1(9) 6_565 . . . ?
Cu8 S2 C22 C34 106.2(7) . . . . ?
Cu8 O5 C14 O4 -7.2(19) . . . . ?
Cu8 O5 C14 C11 163.1(7) . . . . ?
S2 Cu1 Cu1A Cu2 96.1(4) . . . . ?
S2 Cu1 Cu1A Cu3 80.0(4) . . . . ?
S2 Cu1 Cu1A Cu8 12.6(9) . . . . ?
S2 Cu1 Cu1A P2 -134.64(9) . . . . ?
S2 Cu1 Cu1A O2 -162(4) . . . 6_565 ?
P1 C4 C28 C5 178.6(7) . . . . ?
P1 C4 C40 C31 -178.9(10) . . . . ?
P1 C12 C18 C8 61.6(7) . . . . ?
P1 C16 C24 C32 176.3(7) . . . . ?
P1 C16 C26 C38 -177.1(7) . . . . ?
P2 Cu1 Cu1A Cu2 -129.2(4) . . . . ?
P2 Cu1 Cu1A Cu3 -145.4(4) . . . . ?
P2 Cu1 Cu1A Cu8 147.3(9) . . . . ?
P2 Cu1 Cu1A S2 134.64(9) . . . . ?
P2 Cu1 Cu1A O2 -28(4) . . . 6_565 ?
P2 C6 C23 C27 -179.7(11) . . . . ?
P2 C6 C30 C13 179.7(8) . . . . ?
P2 C8 C18 C12 -160.0(5) . . . . ?
F4 C11 C14 O4 -115.0(11) . . . . ?
F4 C11 C14 O5 72.5(12) . . . . ?
F6 C11 C14 O4 -2.7(16) . . . . ?
F6 C11 C14 O5 -175.1(11) . . . . ?
F8 C11 C14 O4 128.9(12) . . . . ?
F8 C11 C14 O5 -43.6(16) . . . . ?
O1 C1 C20 F1 -66.0(9) 2_656 . . . ?
O1 C1 C20 F1 114.0(9) . . . . ?
O1 C1 C20 F5 -28.6(10) . . . . ?
O1 C1 C20 F5 151.4(10) 2_656 . . . ?
O1 C1 C20 F10 50.5(5) 2_656 . . . ?
O1 C1 C20 F10 -129.5(5) . . . . ?
O2 C19 C39 F3 -110(4) . . . 6_565 ?
O2 C19 C39 F3 12(4) . . . . ?
O2 C19 C39 F7 124(4) . . . . ?
O2 C19 C39 C19 -142(4) . . . 6_565 ?
O3 C19 C39 F3 86(2) . . . 6_565 ?
O3 C19 C39 F3 -151(2) . . . . ?
O3 C19 C39 F7 -39(2) . . . . ?
O3 C19 C39 C19 55(2) . . . 6_565 ?
C4 P1 C12 C18 -86.1(6) . . . . ?
C4 P1 C16 C24 18.4(7) . . . . ?
C4 P1 C16 C26 -165.1(6) . . . . ?
C5 C7 C31 C40 1(2) . . . . ?
C6 P2 C8 C18 -65.4(6) . . . . ?
C6 P2 C36 C25 24.7(14) . . . . ?
C6 P2 C36 C33 -157.4(12) . . . . ?
C6 C23 C27 C21 -1(2) . . . . ?
C7 C5 C28 C4 1.1(16) . . . . ?
C7 C31 C40 C4 -1(2) . . . . ?
C8 P2 C6 C23 -51.5(9) . . . . ?
C8 P2 C6 C30 128.8(7) . . . . ?
C8 P2 C36 C25 131.0(12) . . . . ?
C8 P2 C36 C33 -51.2(13) . . . . ?
C12 P1 C4 C28 -47.1(7) . . . . ?
C12 P1 C4 C40 132.6(7) . . . . ?
C12 P1 C16 C24 126.1(7) . . . . ?
C12 P1 C16 C26 -57.4(7) . . . . ?
C13 C21 C27 C23 1(2) . . . . ?
C15 C25 C36 P2 176.7(12) . . . . ?
C15 C25 C36 C33 -1(2) . . . . ?
C16 P1 C4 C28 58.4(7) . . . . ?
C16 P1 C4 C40 -121.9(7) . . . . ?
C16 P1 C12 C18 166.2(5) . . . . ?
C16 C24 C32 C3 1.2(14) . . . . ?
C16 C26 C38 C3 0.1(14) . . . . ?
C17 C33 C36 P2 178.5(13) . . . . ?
C17 C33 C36 C25 -4(2) . . . . ?
C19 O3 C19 O2 133(2) 6_565 . . . ?
C19 O3 C19 C39 -60(2) 6_565 . . . ?
C19 C19 C39 F3 31.1(6) 6_565 . . 6_565 ?
C19 C19 C39 F3 153.7(6) 6_565 . . . ?
C19 C19 C39 F7 -94.7(4) 6_565 . . . ?
C21 C13 C30 C6 0.6(17) . . . . ?
C23 C6 C30 C13 0.0(14) . . . . ?
C24 C16 C26 C38 -0.5(12) . . . . ?
C25 C15 C35 C17 4(3) . . . . ?
C26 C16 C24 C32 -0.2(12) . . . . ?
C28 C4 C40 C31 0.8(16) . . . . ?
C28 C5 C7 C31 -1(2) . . . . ?
C30 C6 C23 C27 0.0(18) . . . . ?
C30 C13 C21 C27 -1(2) . . . . ?
C32 C3 C38 C26 1.0(17) . . . . ?
C33 C17 C35 C15 -8(3) . . . . ?
C35 C15 C25 C36 1(2) . . . . ?
C35 C17 C33 C36 8(2) . . . . ?
C36 P2 C6 C23 54.7(10) . . . . ?
C36 P2 C6 C30 -125.0(8) . . . . ?
C36 P2 C8 C18 -172.0(7) . . . . ?
C38 C3 C32 C24 -1.6(17) . . . . ?
C40 C4 C28 C5 -1.1(14) . . . . ?

_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 -0.501 -0.076 -0.535 3271.2 92.3 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.365
_oxdiff_exptl_absorpt_empirical_full_min 0.494
####################################################################### 
# 
# 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_6
_database_code_depnum_ccdc_archive 'CCDC 2102460'
loop_
_audit_author_name
_audit_author_address
'Di Sun'
;Shandong university
China
;
_audit_update_record             
;
2021-08-10 deposited with the CCDC.	2021-11-02 downloaded from the CCDC.
;
_audit_creation_date             2020-09-28
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C160 H190 Cl2 Cu28 O12 P8 S4'
_chemical_formula_sum            'C160 H190 Cl2 Cu28 O12 P8 S4'
_chemical_formula_weight         4531.13
_chemical_melting_point          ?
_chemical_oxdiff_formula         CuC
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'
Cl Cl 0.1484 0.1585 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   17.9266(6)
_cell_length_b                   31.7028(7)
_cell_length_c                   18.1745(6)
_cell_angle_alpha                90
_cell_angle_beta                 113.215(4)
_cell_angle_gamma                90
_cell_volume                     9492.7(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    24779
_cell_measurement_temperature    99.99(10)
_cell_measurement_theta_max      31.5180
_cell_measurement_theta_min      2.5710
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.248
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.77009
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.68a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4552
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.045
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0411
_diffrn_reflns_av_unetI/netI     0.0459
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            80703
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.282
_diffrn_reflns_theta_min         2.570
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.99(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -37.00  -6.00   1.00   60.00    --   -8.52 -16.00  97.00   31
  2  ω    -21.00  64.00   1.00   60.00    --   -8.52  38.00  60.00   85
  3  ω     39.00  66.00   1.00   60.00    --   -8.52  16.00 -92.00   27
  4  ω    -13.00  79.00   1.00   60.00    --    9.46  77.00 150.00   92
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_specimen_support 'Mitegen 50um'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0124440000
_diffrn_orient_matrix_UB_12      0.0046362000
_diffrn_orient_matrix_UB_13      0.0413292000
_diffrn_orient_matrix_UB_21      0.0411224000
_diffrn_orient_matrix_UB_22      0.0001903000
_diffrn_orient_matrix_UB_23      0.0044287000
_diffrn_orient_matrix_UB_31      -0.0029085000
_diffrn_orient_matrix_UB_32      0.0218831000
_diffrn_orient_matrix_UB_33      -0.0087518000
_diffrn_radiation_collimation    0.3
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_current           24.0
_diffrn_source_power             1.2
_diffrn_source_target            Mo
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                17603
_reflns_number_total             23333
_reflns_odcompleteness_completeness 98.51
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     28.22
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.742
_refine_diff_density_min         -0.593
_refine_diff_density_rms         0.104
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1476
_refine_ls_number_reflns         23333
_refine_ls_number_restraints     486
_refine_ls_R_factor_all          0.0612
_refine_ls_R_factor_gt           0.0414
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0367P)²+16.2276P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0880
_refine_ls_wR_factor_ref         0.0941
_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
 C30A-C31A
 1.39 with sigma of 0.01
 C29A-C34A
 1.39 with sigma of 0.01
 C34A-C33A
 1.39 with sigma of 0.01
 C29A-C30A
 1.39 with sigma of 0.01
 C32A-C33A
 1.39 with sigma of 0.01
 C32A-C31A
 1.39 with sigma of 0.01
 C46A-C45A
 1.39 with sigma of 0.01
 C48A-C43A
 1.39 with sigma of 0.01
 C46A-C47A
 1.39 with sigma of 0.01
 C48A-C47A
 1.39 with sigma of 0.01
 C43A-C44A
 1.39 with sigma of 0.01
 C45A-C44A
 1.39 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C63 \\sim C64 \\sim C65 \\sim C66 \\sim C67 \\sim C68: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008 within 2A
C29A \\sim C30A \\sim C31A \\sim C32A \\sim C33A \\sim C34A: within 2A with
sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
C43A \\sim C44A \\sim C45A \\sim C46A \\sim C47A \\sim C48A: within 2A with
sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
C37A \\sim C38A \\sim C39A \\sim C40A \\sim C41A \\sim C42A: within 2A with
sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
C2 \\sim C3A \\sim C4A \\sim C5 \\sim C6A \\sim C7A: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008 within 2A
C55 \\sim C56A \\sim C57A \\sim C58A \\sim C59A \\sim C60A: within 2A with
sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
C23A \\sim C24A \\sim C25A \\sim C26A \\sim C27A \\sim C28A: within 2A with
sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
C49A \\sim C50A \\sim C51A \\sim C52A \\sim C53A \\sim C54A: within 2A with
sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
O5 \\sim O6 \\sim C75 \\sim C76: within 2A with sigma of 0.004 and sigma for
terminal atoms of 0.008 within 2A
C37 \\sim C38 \\sim C39 \\sim C40 \\sim C41 \\sim C42: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008 within 2A
C49 \\sim C50 \\sim C51 \\sim C52 \\sim C53 \\sim C54: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008 within 2A
C69A \\sim C74A \\sim C73A \\sim C72A \\sim C71A \\sim C70A \\sim C63A \\sim
C64A \\sim C65A \\sim C66A \\sim C67A \\sim C68A \\sim P4: within 2A with sigma
of 0.004 and sigma for terminal atoms of 0.008 within 2A
Uanis(C54A) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.02
Uanis(C53A) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.02
4. Others
 Fixed Sof: P1(0.8) P1A(0.2) P2(0.8) P2A(0.2) C3(0.85) H3(0.85) C3A(0.15)
 H3A(0.15) C4(0.85) H4(0.85) C4A(0.15) H4A(0.15) C6(0.85) H6(0.85) C6A(0.15)
 H6A(0.15) C7(0.85) H7(0.85) C7A(0.15) H7A(0.15) C23(0.8) C23A(0.2) C24(0.8)
 H24(0.8) C24A(0.2) H24A(0.2) C25(0.8) H25(0.8) C25A(0.2) H25A(0.2) C26(0.8)
 H26(0.8) C26A(0.2) H26A(0.2) C27(0.8) H27(0.8) C27A(0.2) H27A(0.2) C28(0.8)
 H28(0.8) C28A(0.2) H28A(0.2) C29(0.8) C29A(0.2) C30(0.8) H30(0.8) C30A(0.2)
 H30A(0.2) C31(0.8) H31(0.8) C31A(0.2) H31A(0.2) C32(0.8) H32(0.8) C32A(0.2)
 H32A(0.2) C33(0.8) H33(0.8) C33A(0.2) H33A(0.2) C34(0.8) H34(0.8) C34A(0.2)
 H34A(0.2) C35(0.8) H35A(0.8) H35B(0.8) C35A(0.2) H35C(0.2) H35D(0.2) C36(0.8)
 H36A(0.8) H36B(0.8) C36A(0.2) H36C(0.2) H36D(0.2) C37(0.8) C37A(0.2) C38A(0.2)
 H38A(0.2) C39A(0.2) H39A(0.2) C40A(0.2) H40A(0.2) C41A(0.2) H41A(0.2)
 C42A(0.2) H42A(0.2) C38(0.8) H38(0.8) C39(0.8) H39(0.8) C40(0.8) H40(0.8)
 C41(0.8) H41(0.8) C42(0.8) H42(0.8) C43(0.8) C43A(0.2) C44(0.8) H44(0.8)
 C44A(0.2) H44A(0.2) C45(0.8) H45(0.8) C45A(0.2) H45A(0.2) C46(0.8) H46(0.8)
 C46A(0.2) H46A(0.2) C47(0.8) H47(0.8) C47A(0.2) H47A(0.2) C48(0.8) H48(0.8)
 C48A(0.2) H48A(0.2) C49(0.65) C49A(0.35) C50(0.65) H50(0.65) C50A(0.35)
 H50A(0.35) C51(0.65) H51(0.65) C51A(0.35) H51A(0.35) C52(0.65) H52(0.65)
 C52A(0.35) H52A(0.35) C53(0.65) H53(0.65) C53A(0.35) H53A(0.35) C54(0.65)
 H54(0.65) C54A(0.35) H54A(0.35) C56(0.75) H56(0.75) C56A(0.25) H56A(0.25)
 C57(0.75) H57(0.75) C57A(0.25) H57A(0.25) C58(0.75) H58(0.75) C58A(0.25)
 H58A(0.25) C59(0.75) H59(0.75) C59A(0.25) H59A(0.25) C60(0.75) H60(0.75)
 C60A(0.25) H60A(0.25) C63(0.75) C63A(0.25) C68A(0.25) H68A(0.25) C67A(0.25)
 H67A(0.25) C66A(0.25) H66A(0.25) C65A(0.25) H65A(0.25) C64A(0.25) H64A(0.25)
 C64(0.75) H64(0.75) C65(0.75) H65(0.75) C66(0.75) H66(0.75) C67(0.75)
 H67(0.75) C68(0.75) H68(0.75) C69(0.75) C69A(0.25) C70(0.75) H70(0.75)
 C70A(0.25) H70A(0.25) C71(0.75) H71(0.75) C71A(0.25) H71A(0.25) C72(0.75)
 H72(0.75) C72A(0.25) H72A(0.25) C73(0.75) H73(0.75) C73A(0.25) H73A(0.25)
 C74(0.75) H74(0.75) C74A(0.25) H74A(0.25)
5.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C12(H12A,H12B), C35(H35A,H35B), C35A(H35C,H35D), C36(H36A,H36B),
 C36A(H36C,H36D), C61(H61A,H61B), C62(H62A,H62B)
5.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C3A(H3A), C4(H4), C4A(H4A), C6(H6), C6A(H6A), C7(H7), C7A(H7A),
 C14(H14), C15(H15), C17(H17), C18(H18), C24(H24), C24A(H24A), C25(H25),
 C25A(H25A), C26(H26), C26A(H26A), C27(H27), C27A(H27A), C28(H28), C28A(H28A),
 C30(H30), C30A(H30A), C31(H31), C31A(H31A), C32(H32), C32A(H32A), C33(H33),
 C33A(H33A), C34(H34), C34A(H34A), C38A(H38A), C39A(H39A), C40A(H40A),
 C41A(H41A), C42A(H42A), C38(H38), C39(H39), C40(H40), C41(H41), C42(H42),
 C44(H44), C44A(H44A), C45(H45), C45A(H45A), C46(H46), C46A(H46A), C47(H47),
 C47A(H47A), C48(H48), C48A(H48A), C50(H50), C50A(H50A), C51(H51), C51A(H51A),
 C52(H52), C52A(H52A), C53(H53), C53A(H53A), C54(H54), C54A(H54A), C56(H56),
 C56A(H56A), C57(H57), C57A(H57A), C58(H58), C58A(H58A), C59(H59), C59A(H59A),
 C60(H60), C60A(H60A), C68A(H68A), C67A(H67A), C66A(H66A), C65A(H65A),
 C64A(H64A), C64(H64), C65(H65), C66(H66), C67(H67), C68(H68), C70(H70),
 C70A(H70A), C71(H71), C71A(H71A), C72(H72), C72A(H72A), C73(H73), C73A(H73A),
 C74(H74), C74A(H74A)
5.c Fitted hexagon refined as free rotating group:
 C37A(C38A,C39A,C40A,C41A,C42A), C63A(C68A,C67A,C66A,C65A,C64A)
5.d Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C20(H20A,H20B,
 H20C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C75(H75A,H75B,H75C), C77(H77A,
 H77B,H77C), C79(H79A,H79B,H79C)
;
_atom_sites_solution_hydrogens   mixed
_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
Cu1 Cu 0.50366(2) 0.42688(2) 0.63716(2) 0.02017(9) Uani 1 1 d . . . . .
HH H 0.407(3) 0.4552(14) 0.600(3) 0.051(13) Uiso 1 1 d . . . . .
HA H 0.593(3) 0.4469(17) 0.625(3) 0.074(17) Uiso 1 1 d . . . . .
Cu2 Cu 0.45166(3) 0.50123(2) 0.64511(3) 0.02263(9) Uani 1 1 d . . . . .
HB H 0.534(3) 0.5342(13) 0.679(3) 0.044(12) Uiso 1 1 d . . . . .
Cu3 Cu 0.60394(3) 0.49156(2) 0.69755(2) 0.02249(9) Uani 1 1 d . . . . .
Cu4 Cu 0.53998(2) 0.47635(2) 0.55073(2) 0.02074(9) Uani 1 1 d . . . . .
HC H 0.549(2) 0.5296(12) 0.533(2) 0.030(10) Uiso 1 1 d . . . . .
Cu5 Cu 0.36478(3) 0.55362(2) 0.53144(3) 0.02168(9) Uani 1 1 d . . . . .
HD H 0.567(3) 0.4074(13) 0.457(2) 0.037(11) Uiso 1 1 d . . . . .
HE H 0.312(3) 0.5165(16) 0.471(3) 0.063(15) Uiso 1 1 d . . . . .
Cu6 Cu 0.51725(3) 0.64005(2) 0.56486(3) 0.02328(9) Uani 1 1 d . . . . .
HF H 0.586(3) 0.6019(14) 0.638(3) 0.050(13) Uiso 1 1 d . . . . .
Cu7 Cu 0.62751(3) 0.52772(2) 0.50084(3) 0.02086(9) Uani 1 1 d . . . . .
HG H 0.696(2) 0.5693(12) 0.539(2) 0.032(10) Uiso 1 1 d . . . . .
Cu8 Cu 0.52215(3) 0.56064(2) 0.59297(3) 0.02183(9) Uani 1 1 d . . . . .
Cu9 Cu 0.58946(2) 0.40074(2) 0.55898(2) 0.02069(9) Uani 1 1 d . . . . .
Cu10 Cu 0.64129(2) 0.59731(2) 0.44431(3) 0.02192(9) Uani 1 1 d . . . . .
Cu11 Cu 0.69145(3) 0.46911(2) 0.61532(3) 0.02206(9) Uani 1 1 d . . . . .
Cu12 Cu 0.65857(3) 0.60055(2) 0.59595(3) 0.02474(10) Uani 1 1 d . . . . .
Cu13 Cu 0.76925(3) 0.54006(2) 0.61614(3) 0.02734(10) Uani 1 1 d . . . . .
Cu14 Cu 0.64079(3) 0.57096(2) 0.72525(3) 0.02931(10) Uani 1 1 d . . . . .
Cl1 Cl 0.75115(8) 0.65128(4) 0.66053(9) 0.0631(4) Uani 1 1 d . . . . .
S1 S 0.53103(5) 0.63466(2) 0.44481(5) 0.02015(16) Uani 1 1 d . . . . .
S2 S 0.72938(5) 0.52214(3) 0.71522(5) 0.02351(17) Uani 1 1 d . . . . .
P1 P 0.48664(17) 0.68516(9) 0.6436(2) 0.0221(5) Uani 0.8 1 d . . P A 1
P1A P 0.5072(6) 0.6929(4) 0.6414(8) 0.0205(18) Uani 0.2 1 d . . P A -1
P2 P 0.65515(9) 0.61178(4) 0.82774(8) 0.0276(3) Uani 0.8 1 d . . P A 1
P2A P 0.6055(4) 0.60307(15) 0.8211(3) 0.0290(11) Uani 0.2 1 d . . P A -1
P3 P 0.87532(6) 0.53842(3) 0.58271(6) 0.0264(2) Uani 1 1 d . . . . .
P4 P 0.73383(6) 0.62084(3) 0.40271(6) 0.0292(2) Uani 1 1 d . U . . .
O1 O 0.61885(16) 0.46406(8) 0.80220(15) 0.0291(6) Uani 1 1 d . . . . .
O2 O 0.53299(15) 0.40968(7) 0.75102(14) 0.0265(5) Uani 1 1 d . . . . .
O3 O 0.69568(16) 0.37077(8) 0.61362(17) 0.0356(6) Uani 1 1 d . . . . .
O4 O 0.77554(16) 0.42577(8) 0.66941(17) 0.0339(6) Uani 1 1 d . . . . .
O5 O 0.31677(19) 0.56862(9) 0.60964(18) 0.0430(7) Uani 1 1 d . U . . .
O6 O 0.3876(2) 0.52172(9) 0.7045(2) 0.0486(8) Uani 1 1 d . U . . .
C1 C 0.7981(2) 0.49668(13) 0.8085(2) 0.0328(8) Uani 1 1 d . . . . .
H1A H 0.782364 0.505274 0.851533 0.039 Uiso 1 1 calc R U . . .
H1B H 0.790773 0.466380 0.802362 0.039 Uiso 1 1 calc R U . . .
C2 C 0.8861(2) 0.50638(12) 0.8324(2) 0.0281(7) Uani 1 1 d . U . . .
C3 C 0.9235(3) 0.53839(15) 0.8846(3) 0.0350(10) Uani 0.85 1 d . . P B 1
H3 H 0.892716 0.555210 0.903970 0.042 Uiso 0.85 1 calc R U P B 1
C3A C 0.9105(16) 0.5463(8) 0.8282(16) 0.031(2) Uani 0.15 1 d . U P B 2
H3A H 0.873833 0.568211 0.806618 0.037 Uiso 0.15 1 calc R U P B 2
C4 C 1.0053(3) 0.54635(16) 0.9093(3) 0.0400(12) Uani 0.85 1 d . . P B 1
H4 H 1.027719 0.568758 0.944004 0.048 Uiso 0.85 1 calc R U P B 1
C4A C 0.9964(16) 0.5528(9) 0.8590(17) 0.033(2) Uani 0.15 1 d . U P B 2
H4A H 1.014101 0.580531 0.861698 0.039 Uiso 0.15 1 calc R U P B 2
C5 C 1.0547(2) 0.52259(12) 0.8846(2) 0.0323(8) Uani 1 1 d . U . . .
C6 C 1.0174(3) 0.49027(16) 0.8295(3) 0.0359(11) Uani 0.85 1 d . . P B 1
H6 H 1.048572 0.473953 0.809813 0.043 Uiso 0.85 1 calc R U P B 1
C6A C 1.0224(16) 0.4837(8) 0.8969(15) 0.031(2) Uani 0.15 1 d . U P B 2
H6A H 1.057771 0.462257 0.924662 0.038 Uiso 0.15 1 calc R U P B 2
C7 C 0.9352(3) 0.48229(15) 0.8040(3) 0.0337(10) Uani 0.85 1 d . . P B 1
H7 H 0.911984 0.460652 0.767583 0.040 Uiso 0.85 1 calc R U P B 1
C7A C 0.9349(16) 0.4764(8) 0.8671(14) 0.029(2) Uani 0.15 1 d . U P B 2
H7A H 0.914894 0.450165 0.873420 0.035 Uiso 0.15 1 calc R U P B 2
C8 C 1.1463(3) 0.52987(15) 0.9139(3) 0.0452(11) Uani 1 1 d . . . . .
C9 C 1.1724(4) 0.5702(2) 0.9636(5) 0.098(2) Uani 1 1 d . . . . .
H9A H 1.145095 0.593973 0.931461 0.147 Uiso 1 1 calc R U . . .
H9B H 1.230012 0.573795 0.981084 0.147 Uiso 1 1 calc R U . . .
H9C H 1.158482 0.568252 1.009329 0.147 Uiso 1 1 calc R U . . .
C10 C 1.1723(3) 0.5324(2) 0.8436(3) 0.0691(17) Uani 1 1 d . . . . .
H10A H 1.158125 0.506668 0.813430 0.104 Uiso 1 1 calc R U . . .
H10B H 1.229983 0.536531 0.863360 0.104 Uiso 1 1 calc R U . . .
H10C H 1.145255 0.555657 0.809727 0.104 Uiso 1 1 calc R U . . .
C11 C 1.1901(3) 0.49289(18) 0.9673(3) 0.0548(13) Uani 1 1 d . . . . .
H11A H 1.174319 0.491107 1.011934 0.082 Uiso 1 1 calc R U . . .
H11B H 1.247686 0.497144 0.986551 0.082 Uiso 1 1 calc R U . . .
H11C H 1.175827 0.467180 0.937046 0.082 Uiso 1 1 calc R U . . .
C12 C 0.5189(3) 0.68009(11) 0.3767(3) 0.0341(9) Uani 1 1 d . . . . .
H12A H 0.571572 0.692883 0.389033 0.041 Uiso 1 1 calc R U . . .
H12B H 0.499135 0.669865 0.322064 0.041 Uiso 1 1 calc R U . . .
C13 C 0.4619(2) 0.71298(11) 0.3826(2) 0.0296(8) Uani 1 1 d . . . . .
C14 C 0.4884(3) 0.74845(14) 0.4288(3) 0.0541(13) Uani 1 1 d . . . . .
H14 H 0.543696 0.753459 0.455586 0.065 Uiso 1 1 calc R U . . .
C15 C 0.4316(3) 0.77734(14) 0.4355(3) 0.0557(13) Uani 1 1 d . . . . .
H15 H 0.450107 0.801382 0.466775 0.067 Uiso 1 1 calc R U . . .
C16 C 0.3491(3) 0.77074(13) 0.3969(3) 0.0404(10) Uani 1 1 d . . . . .
C17 C 0.3240(3) 0.73651(14) 0.3499(3) 0.0446(11) Uani 1 1 d . . . . .
H17 H 0.268807 0.731945 0.321489 0.054 Uiso 1 1 calc R U . . .
C18 C 0.3791(3) 0.70818(13) 0.3432(3) 0.0391(10) Uani 1 1 d . . . . .
H18 H 0.359541 0.684673 0.310643 0.047 Uiso 1 1 calc R U . . .
C19 C 0.2902(3) 0.80342(14) 0.4082(3) 0.0498(12) Uani 1 1 d . . . . .
C20 C 0.3096(4) 0.81056(18) 0.4952(3) 0.0676(16) Uani 1 1 d . . . . .
H20A H 0.271850 0.830444 0.500860 0.101 Uiso 1 1 calc R U . . .
H20B H 0.363753 0.821468 0.520638 0.101 Uiso 1 1 calc R U . . .
H20C H 0.305671 0.784345 0.519841 0.101 Uiso 1 1 calc R U . . .
C21 C 0.2020(3) 0.78910(18) 0.3674(4) 0.0640(15) Uani 1 1 d . . . . .
H21A H 0.195237 0.762641 0.389709 0.096 Uiso 1 1 calc R U . . .
H21B H 0.188108 0.785816 0.311015 0.096 Uiso 1 1 calc R U . . .
H21C H 0.167150 0.809856 0.375810 0.096 Uiso 1 1 calc R U . . .
C22 C 0.2987(3) 0.84501(14) 0.3664(4) 0.0727(18) Uani 1 1 d . . . . .
H22A H 0.262851 0.865984 0.372358 0.109 Uiso 1 1 calc R U . . .
H22B H 0.284824 0.839737 0.310564 0.109 Uiso 1 1 calc R U . . .
H22C H 0.353676 0.854932 0.390645 0.109 Uiso 1 1 calc R U . . .
C23 C 0.5317(4) 0.73779(19) 0.6538(4) 0.0237(13) Uani 0.8 1 d . . P A 1
C23A C 0.544(2) 0.7444(10) 0.6355(17) 0.029(3) Uani 0.2 1 d . U P A -1
C24 C 0.4991(4) 0.77338(19) 0.6763(4) 0.0278(13) Uani 0.8 1 d . . P A 1
H24 H 0.454160 0.770584 0.689426 0.033 Uiso 0.8 1 calc R U P A 1
C24A C 0.5138(17) 0.7807(9) 0.6579(16) 0.029(3) Uani 0.2 1 d . U P A -1
H24A H 0.470549 0.778640 0.673773 0.035 Uiso 0.2 1 calc R U P A -1
C25 C 0.5340(5) 0.8128(2) 0.6790(4) 0.0353(16) Uani 0.8 1 d . . P A 1
H25 H 0.512584 0.836406 0.694111 0.042 Uiso 0.8 1 calc R U P A 1
C25A C 0.547(2) 0.8181(10) 0.6567(16) 0.030(3) Uani 0.2 1 d . U P A -1
H25A H 0.528433 0.841523 0.675528 0.036 Uiso 0.2 1 calc R U P A -1
C26 C 0.6001(5) 0.81693(19) 0.6595(4) 0.0384(15) Uani 0.8 1 d . . P A 1
H26 H 0.622257 0.843515 0.660032 0.046 Uiso 0.8 1 calc R U P A 1
C26A C 0.6060(16) 0.8234(8) 0.6292(14) 0.032(3) Uani 0.2 1 d . U P A -1
H26A H 0.626639 0.850138 0.627446 0.039 Uiso 0.2 1 calc R U P A -1
C27 C 0.6348(4) 0.7817(2) 0.6386(4) 0.0405(15) Uani 0.8 1 d . . P A 1
H27 H 0.680554 0.784477 0.626826 0.049 Uiso 0.8 1 calc R U P A 1
C27A C 0.6353(14) 0.7889(7) 0.6039(13) 0.032(3) Uani 0.2 1 d . U P A -1
H27A H 0.674797 0.792104 0.583190 0.039 Uiso 0.2 1 calc R U P A -1
C28 C 0.5993(4) 0.74224(19) 0.6360(4) 0.0307(13) Uani 0.8 1 d . . P A 1
H28 H 0.621467 0.718602 0.621973 0.037 Uiso 0.8 1 calc R U P A 1
C28A C 0.6059(17) 0.7495(9) 0.6094(14) 0.031(3) Uani 0.2 1 d . U P A -1
H28A H 0.628204 0.725903 0.595221 0.037 Uiso 0.2 1 calc R U P A -1
C29 C 0.3785(4) 0.6937(2) 0.6168(5) 0.0258(15) Uani 0.8 1 d . . P A 1
C29A C 0.4029(18) 0.6968(13) 0.6284(19) 0.034(5) Uani 0.2 1 d D U P A -1
C30 C 0.3280(6) 0.6862(4) 0.5368(4) 0.0323(18) Uani 0.8 1 d . . P A 1
H30 H 0.350131 0.678444 0.500367 0.039 Uiso 0.8 1 calc R U P A 1
C30A C 0.339(2) 0.6869(17) 0.557(2) 0.034(5) Uani 0.2 1 d D U P A -1
H30A H 0.354224 0.676892 0.516728 0.040 Uiso 0.2 1 calc R U P A -1
C31 C 0.2447(6) 0.6905(4) 0.5122(5) 0.044(2) Uani 0.8 1 d . . P A 1
H31 H 0.210981 0.685613 0.458945 0.053 Uiso 0.8 1 calc R U P A 1
C31A C 0.256(2) 0.6898(16) 0.5362(17) 0.036(5) Uani 0.2 1 d D U P A -1
H31A H 0.218755 0.682570 0.485310 0.043 Uiso 0.2 1 calc R U P A -1
C32 C 0.2118(5) 0.7019(3) 0.5655(5) 0.049(2) Uani 0.8 1 d . . P A 1
H32 H 0.155843 0.704448 0.548606 0.059 Uiso 0.8 1 calc R U P A 1
C32A C 0.2310(19) 0.7040(12) 0.5952(15) 0.038(5) Uani 0.2 1 d D U P A -1
H32A H 0.176604 0.707861 0.586053 0.045 Uiso 0.2 1 calc R U P A -1
C33 C 0.2619(4) 0.7098(3) 0.6451(5) 0.049(2) Uani 0.8 1 d . . P A 1
H33 H 0.239409 0.717977 0.681024 0.058 Uiso 0.8 1 calc R U P A 1
C33A C 0.2934(15) 0.7118(11) 0.6687(17) 0.039(5) Uani 0.2 1 d D U P A -1
H33A H 0.278228 0.718049 0.710862 0.047 Uiso 0.2 1 calc R U P A -1
C34 C 0.3451(4) 0.7053(2) 0.6708(5) 0.0399(17) Uani 0.8 1 d . . P A 1
H34 H 0.378578 0.710174 0.724149 0.048 Uiso 0.8 1 calc R U P A 1
C34A C 0.3760(16) 0.7113(10) 0.6861(17) 0.037(5) Uani 0.2 1 d D U P A -1
H34A H 0.412985 0.720602 0.735617 0.044 Uiso 0.2 1 calc R U P A -1
C35 C 0.5224(3) 0.66490(18) 0.7461(3) 0.0295(11) Uani 0.8 1 d . . P A 1
H35A H 0.499318 0.681984 0.776204 0.035 Uiso 0.8 1 calc R U P A 1
H35B H 0.502425 0.636335 0.744625 0.035 Uiso 0.8 1 calc R U P A 1
C35A C 0.5641(12) 0.6826(6) 0.7493(11) 0.025(4) Uani 0.2 1 d . . P A -1
H35C H 0.619996 0.676473 0.758281 0.030 Uiso 0.2 1 calc R U P A -1
H35D H 0.564043 0.708221 0.778550 0.030 Uiso 0.2 1 calc R U P A -1
C36 C 0.6154(3) 0.66466(14) 0.7906(3) 0.0314(10) Uani 0.8 1 d . . P A 1
H36A H 0.630815 0.684060 0.835395 0.038 Uiso 0.8 1 calc R U P A 1
H36B H 0.639820 0.674510 0.754627 0.038 Uiso 0.8 1 calc R U P A 1
C36A C 0.5328(14) 0.6479(8) 0.7829(13) 0.040(5) Uani 0.2 1 d . . P A -1
H36C H 0.482913 0.637411 0.741901 0.048 Uiso 0.2 1 calc R U P A -1
H36D H 0.519984 0.658753 0.826415 0.048 Uiso 0.2 1 calc R U P A -1
C37 C 0.5978(4) 0.59525(16) 0.8860(3) 0.0378(10) Uani 0.8 1 d . U P A 1
C37A C 0.5509(12) 0.5693(7) 0.8641(13) 0.075(4) Uani 0.2 1 d G U P A -1
C38A C 0.4689(12) 0.5600(7) 0.8250(11) 0.079(4) Uani 0.2 1 d G U P A -1
H38A H 0.439445 0.570946 0.774281 0.094 Uiso 0.2 1 calc R U P A -1
C39A C 0.4307(9) 0.5344(7) 0.8617(12) 0.079(4) Uani 0.2 1 d G U P A -1
H39A H 0.375832 0.528144 0.835542 0.095 Uiso 0.2 1 calc R U P A -1
C40A C 0.4747(11) 0.5180(7) 0.9375(12) 0.078(4) Uani 0.2 1 d G U P A -1
H40A H 0.449211 0.500826 0.962049 0.094 Uiso 0.2 1 calc R U P A -1
C41A C 0.5568(11) 0.5273(7) 0.9766(11) 0.079(4) Uani 0.2 1 d G U P A -1
H41A H 0.586204 0.516311 1.027295 0.095 Uiso 0.2 1 calc R U P A -1
C42A C 0.5949(9) 0.5529(7) 0.9399(13) 0.078(4) Uani 0.2 1 d G U P A -1
H42A H 0.649818 0.559113 0.966035 0.093 Uiso 0.2 1 calc R U P A -1
C38 C 0.5770(4) 0.62246(18) 0.9346(3) 0.0463(11) Uani 0.8 1 d . U P A 1
H38 H 0.595382 0.650201 0.941354 0.056 Uiso 0.8 1 calc R U P A 1
C39 C 0.5286(4) 0.6081(2) 0.9730(3) 0.0546(12) Uani 0.8 1 d . U P A 1
H39 H 0.515149 0.626234 1.006094 0.065 Uiso 0.8 1 calc R U P A 1
C40 C 0.5004(4) 0.5674(2) 0.9629(4) 0.0603(13) Uani 0.8 1 d . U P A 1
H40 H 0.465774 0.558673 0.986873 0.072 Uiso 0.8 1 calc R U P A 1
C41 C 0.5230(4) 0.5394(2) 0.9174(4) 0.0614(13) Uani 0.8 1 d . U P A 1
H41 H 0.507120 0.511247 0.913056 0.074 Uiso 0.8 1 calc R U P A 1
C42 C 0.5702(4) 0.5544(2) 0.8782(3) 0.0485(12) Uani 0.8 1 d . U P A 1
H42 H 0.583761 0.536096 0.845378 0.058 Uiso 0.8 1 calc R U P A 1
C43 C 0.7585(4) 0.62260(18) 0.8988(4) 0.0378(17) Uani 0.8 1 d . . P A 1
C43A C 0.6959(15) 0.6227(6) 0.9057(11) 0.046(3) Uani 0.2 1 d D U P A -1
C44 C 0.8146(4) 0.63737(19) 0.8689(4) 0.0551(16) Uani 0.8 1 d . . P A 1
H44 H 0.798694 0.640614 0.813947 0.066 Uiso 0.8 1 calc R U P A 1
C44A C 0.7727(14) 0.6140(11) 0.907(2) 0.049(3) Uani 0.2 1 d D U P A -1
H44A H 0.778769 0.600712 0.864282 0.058 Uiso 0.2 1 calc R U P A -1
C45 C 0.8929(4) 0.6472(2) 0.9194(5) 0.066(2) Uani 0.8 1 d . . P A 1
H45 H 0.929037 0.657864 0.898854 0.079 Uiso 0.8 1 calc R U P A 1
C45A C 0.8400(18) 0.6257(7) 0.9747(13) 0.053(3) Uani 0.2 1 d D U P A -1
H45A H 0.891271 0.617450 0.978792 0.063 Uiso 0.2 1 calc R U P A -1
C46 C 0.9177(5) 0.6410(2) 1.0017(5) 0.075(2) Uani 0.8 1 d . . P A 1
H46 H 0.970488 0.647609 1.036196 0.089 Uiso 0.8 1 calc R U P A 1
C46A C 0.8335(13) 0.6493(7) 1.0365(12) 0.049(3) Uani 0.2 1 d D U P A -1
H46A H 0.879231 0.658927 1.079147 0.059 Uiso 0.2 1 calc R U P A -1
C47 C 0.8661(5) 0.6256(3) 1.0305(5) 0.073(2) Uani 0.8 1 d . . P A 1
H47 H 0.883491 0.620782 1.085206 0.088 Uiso 0.8 1 calc R U P A 1
C47A C 0.7565(11) 0.6578(6) 1.0319(12) 0.048(3) Uani 0.2 1 d D U P A -1
H47A H 0.750521 0.672814 1.073220 0.058 Uiso 0.2 1 calc R U P A -1
C48 C 0.7845(4) 0.6164(2) 0.9792(4) 0.0631(18) Uani 0.8 1 d . . P A 1
H48 H 0.748722 0.606081 1.000640 0.076 Uiso 0.8 1 calc R U P A 1
C48A C 0.6878(13) 0.6448(6) 0.9680(10) 0.048(3) Uani 0.2 1 d D U P A -1
H48A H 0.636537 0.650776 0.966690 0.057 Uiso 0.2 1 calc R U P A -1
C49 C 0.9123(10) 0.4836(4) 0.5809(10) 0.0390(19) Uani 0.65 1 d . U P C 1
C49A C 0.9210(17) 0.4894(8) 0.5876(16) 0.029(3) Uani 0.35 1 d . U P C 2
C50 C 0.8601(6) 0.4549(4) 0.5290(6) 0.0381(18) Uani 0.65 1 d . U P C 1
H50 H 0.809866 0.463909 0.492251 0.046 Uiso 0.65 1 calc R U P C 1
C50A C 0.8768(12) 0.4557(9) 0.5465(11) 0.032(3) Uani 0.35 1 d . U P C 2
H50A H 0.823008 0.460128 0.512109 0.038 Uiso 0.35 1 calc R U P C 2
C51 C 0.8811(5) 0.4131(3) 0.5306(6) 0.0430(17) Uani 0.65 1 d . U P C 1
H51 H 0.845343 0.393982 0.495506 0.052 Uiso 0.65 1 calc R U P C 1
C51A C 0.9088(10) 0.4145(6) 0.5535(9) 0.034(2) Uani 0.35 1 d . U P C 2
H51A H 0.876815 0.392020 0.525419 0.040 Uiso 0.35 1 calc R U P C 2
C52 C 0.9556(7) 0.4000(3) 0.5845(6) 0.0551(17) Uani 0.65 1 d . U P C 1
H52 H 0.968428 0.371460 0.588990 0.066 Uiso 0.65 1 calc R U P C 1
C52A C 0.9901(9) 0.4085(5) 0.6042(8) 0.035(2) Uani 0.35 1 d . U P C 2
H52A H 1.011707 0.381450 0.613697 0.042 Uiso 0.35 1 calc R U P C 2
C53 C 1.0110(6) 0.4286(3) 0.6319(6) 0.0593(17) Uani 0.65 1 d . U P C 1
H53 H 1.063719 0.420235 0.663653 0.071 Uiso 0.65 1 calc R U P C 1
C53A C 1.0410(8) 0.4442(4) 0.6421(8) 0.035(2) Uani 0.35 1 d . U P C 2
H53A H 1.096336 0.440267 0.670862 0.042 Uiso 0.35 1 calc R U P C 2
C54 C 0.9865(6) 0.4710(3) 0.6315(6) 0.0547(18) Uani 0.65 1 d . U P C 1
H54 H 1.021989 0.490358 0.666377 0.066 Uiso 0.65 1 calc R U P C 1
C54A C 1.0087(8) 0.4832(4) 0.6360(8) 0.032(2) Uani 0.35 1 d . U P C 2
H54A H 1.041198 0.505952 0.661878 0.039 Uiso 0.35 1 calc R U P C 2
C55 C 0.9613(2) 0.57181(13) 0.6354(2) 0.0366(9) Uani 1 1 d . U . . .
C56 C 1.0203(4) 0.5824(3) 0.6088(5) 0.052(2) Uani 0.75 1 d . . P D 1
H56 H 1.020162 0.569675 0.562572 0.063 Uiso 0.75 1 calc R U P D 1
C56A C 1.0319(14) 0.5639(7) 0.6124(16) 0.040(2) Uani 0.25 1 d . U P D 2
H56A H 1.029952 0.541418 0.578886 0.048 Uiso 0.25 1 calc R U P D 2
C57 C 1.0805(5) 0.6115(3) 0.6489(6) 0.064(3) Uani 0.75 1 d . . P D 1
H57 H 1.121966 0.617062 0.631693 0.077 Uiso 0.75 1 calc R U P D 1
C57A C 1.1004(13) 0.5898(7) 0.6404(14) 0.043(3) Uani 0.25 1 d . U P D 2
H57A H 1.143121 0.586395 0.624135 0.052 Uiso 0.25 1 calc R U P D 2
C58 C 1.0776(6) 0.6318(3) 0.7140(6) 0.069(3) Uani 0.75 1 d . . P D 1
H58 H 1.116406 0.652294 0.739628 0.082 Uiso 0.75 1 calc R U P D 1
C58A C 1.1007(15) 0.6208(9) 0.6940(18) 0.045(3) Uani 0.25 1 d . U P D 2
H58A H 1.147546 0.636806 0.718428 0.054 Uiso 0.25 1 calc R U P D 2
C59 C 1.0170(5) 0.6226(2) 0.7438(5) 0.058(2) Uani 0.75 1 d . . P D 1
H59 H 1.016861 0.635965 0.789319 0.070 Uiso 0.75 1 calc R U P D 1
C59A C 1.0352(16) 0.6292(8) 0.7129(14) 0.043(3) Uani 0.25 1 d . U P D 2
H59A H 1.034118 0.652697 0.743174 0.052 Uiso 0.25 1 calc R U P D 2
C60 C 0.9582(5) 0.5933(2) 0.7031(5) 0.0412(17) Uani 0.75 1 d . . P D 1
H60 H 0.916582 0.587457 0.719941 0.049 Uiso 0.75 1 calc R U P D 1
C60A C 0.9697(15) 0.6007(8) 0.6846(16) 0.039(2) Uani 0.25 1 d . U P D 2
H60A H 0.929303 0.603650 0.704189 0.047 Uiso 0.25 1 calc R U P D 2
C61 C 0.8462(2) 0.55566(12) 0.4784(2) 0.0323(8) Uani 1 1 d . . . . .
H61A H 0.887774 0.547226 0.459769 0.039 Uiso 1 1 calc R U . . .
H61B H 0.795834 0.541987 0.444744 0.039 Uiso 1 1 calc R U . . .
C62 C 0.8351(2) 0.60399(12) 0.4708(3) 0.0343(9) Uani 1 1 d . . . . .
H62A H 0.874654 0.615589 0.452249 0.041 Uiso 1 1 calc R U . . .
H62B H 0.846300 0.615650 0.523456 0.041 Uiso 1 1 calc R U . . .
C63 C 0.7279(5) 0.6052(2) 0.3076(4) 0.0375(13) Uani 0.75 1 d . U P E 1
C63A C 0.7245(9) 0.5998(6) 0.2980(9) 0.028(2) Uani 0.25 1 d G U P E 2
C68A C 0.7858(7) 0.6006(5) 0.2694(8) 0.033(2) Uani 0.25 1 d G U P E 2
H68A H 0.835253 0.613325 0.299364 0.040 Uiso 0.25 1 calc R U P E 2
C67A C 0.7732(7) 0.5824(4) 0.1959(8) 0.035(2) Uani 0.25 1 d G U P E 2
H67A H 0.814263 0.582882 0.176692 0.042 Uiso 0.25 1 calc R U P E 2
C66A C 0.6993(8) 0.5634(5) 0.1510(8) 0.035(3) Uani 0.25 1 d G U P E 2
H66A H 0.690891 0.551151 0.101826 0.042 Uiso 0.25 1 calc R U P E 2
C65A C 0.6380(7) 0.5626(6) 0.1796(10) 0.029(2) Uani 0.25 1 d G U P E 2
H65A H 0.588507 0.549862 0.149631 0.035 Uiso 0.25 1 calc R U P E 2
C64A C 0.6505(8) 0.5808(7) 0.2531(11) 0.026(2) Uani 0.25 1 d G U P E 2
H64A H 0.609496 0.580305 0.272303 0.031 Uiso 0.25 1 calc R U P E 2
C64 C 0.6674(5) 0.5783(3) 0.2608(5) 0.0420(14) Uani 0.75 1 d . U P E 1
H64 H 0.628559 0.569305 0.279309 0.050 Uiso 0.75 1 calc R U P E 1
C65 C 0.6629(5) 0.5642(3) 0.1868(5) 0.0496(15) Uani 0.75 1 d . U P E 1
H65 H 0.622554 0.545259 0.157343 0.060 Uiso 0.75 1 calc R U P E 1
C66 C 0.7176(5) 0.5781(2) 0.1577(5) 0.0517(14) Uani 0.75 1 d . U P E 1
H66 H 0.713936 0.569165 0.107623 0.062 Uiso 0.75 1 calc R U P E 1
C67 C 0.7781(4) 0.6053(2) 0.2020(4) 0.0485(13) Uani 0.75 1 d . U P E 1
H67 H 0.815344 0.614410 0.181442 0.058 Uiso 0.75 1 calc R U P E 1
C68 C 0.7853(4) 0.6196(2) 0.2775(4) 0.0438(13) Uani 0.75 1 d . U P E 1
H68 H 0.826558 0.638125 0.307006 0.053 Uiso 0.75 1 calc R U P E 1
C69 C 0.7458(5) 0.6783(3) 0.4144(4) 0.0320(18) Uani 0.75 1 d . . P E 1
C69A C 0.741(2) 0.6769(10) 0.3875(16) 0.034(2) Uani 0.25 1 d . U P E 2
C70 C 0.7550(4) 0.6958(2) 0.4880(5) 0.0438(16) Uani 0.75 1 d . . P E 1
H70 H 0.753981 0.677744 0.527958 0.053 Uiso 0.75 1 calc R U P E 1
C70A C 0.7404(14) 0.6977(7) 0.4488(14) 0.034(2) Uani 0.25 1 d . U P E 2
H70A H 0.732242 0.682586 0.488781 0.041 Uiso 0.25 1 calc R U P E 2
C71 C 0.7655(5) 0.7387(2) 0.5046(5) 0.0530(17) Uani 0.75 1 d . . P E 1
H71 H 0.772162 0.749423 0.554498 0.064 Uiso 0.75 1 calc R U P E 1
C71A C 0.7512(12) 0.7416(6) 0.4589(13) 0.036(3) Uani 0.25 1 d . U P E 2
H71A H 0.755970 0.755706 0.505439 0.043 Uiso 0.25 1 calc R U P E 2
C72 C 0.7655(4) 0.7649(2) 0.4430(6) 0.0543(17) Uani 0.75 1 d . . P E 1
H72 H 0.772741 0.793787 0.452437 0.065 Uiso 0.75 1 calc R U P E 1
C72A C 0.754(2) 0.7615(9) 0.392(2) 0.040(3) Uani 0.25 1 d . U P E 2
H72A H 0.753587 0.790837 0.391422 0.048 Uiso 0.25 1 calc R U P E 2
C73 C 0.7553(5) 0.7498(3) 0.3694(6) 0.053(3) Uani 0.75 1 d . . P E 1
H73 H 0.755484 0.768172 0.329547 0.064 Uiso 0.75 1 calc R U P E 1
C73A C 0.7575(13) 0.7403(6) 0.3274(13) 0.041(3) Uani 0.25 1 d . U P E 2
H73A H 0.764279 0.755223 0.286431 0.050 Uiso 0.25 1 calc R U P E 2
C74 C 0.7442(4) 0.7058(2) 0.3541(4) 0.0419(16) Uani 0.75 1 d . . P E 1
H74 H 0.735903 0.695403 0.303630 0.050 Uiso 0.75 1 calc R U P E 1
C74A C 0.7509(14) 0.6961(6) 0.3232(13) 0.039(3) Uani 0.25 1 d . U P E 2
H74A H 0.752897 0.680839 0.280356 0.047 Uiso 0.25 1 calc R U P E 2
C75 C 0.3004(4) 0.5687(2) 0.7337(4) 0.0805(18) Uani 1 1 d . U . . .
H75A H 0.295287 0.598829 0.728205 0.121 Uiso 1 1 calc R U . . .
H75B H 0.334292 0.561713 0.788071 0.121 Uiso 1 1 calc R U . . .
H75C H 0.247702 0.556406 0.719862 0.121 Uiso 1 1 calc R U . . .
C76 C 0.3385(3) 0.55163(15) 0.6780(3) 0.0486(9) Uani 1 1 d . U . . .
C77 C 0.5978(4) 0.41596(16) 0.8917(3) 0.0594(15) Uani 1 1 d . . . . .
H77A H 0.634215 0.392331 0.904503 0.089 Uiso 1 1 calc R U . . .
H77B H 0.547469 0.407545 0.894280 0.089 Uiso 1 1 calc R U . . .
H77C H 0.621666 0.438302 0.929296 0.089 Uiso 1 1 calc R U . . .
C78 C 0.5821(2) 0.43132(12) 0.8077(2) 0.0300(8) Uani 1 1 d . . . . .
C79 C 0.8330(3) 0.35782(14) 0.6994(3) 0.0620(15) Uani 1 1 d . . . . .
H79A H 0.814214 0.329216 0.695212 0.093 Uiso 1 1 calc R U . . .
H79B H 0.858179 0.365665 0.754841 0.093 Uiso 1 1 calc R U . . .
H79C H 0.871807 0.360221 0.675303 0.093 Uiso 1 1 calc R U . . .
C80 C 0.7602(3) 0.38747(12) 0.6557(3) 0.0370(9) 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
Cu1 HH 1.83(5) . ?
Cu1 HA 1.81(5) . ?
Cu1 Cu2 2.5599(5) . ?
Cu1 Cu3 2.6618(6) . ?
Cu1 Cu4 2.4816(5) . ?
Cu1 Cu7 3.0402(6) 3_666 ?
Cu1 Cu9 2.6067(6) . ?
Cu1 Cu10 2.5494(6) 3_666 ?
Cu1 S1 2.3837(9) 3_666 ?
Cu1 O2 1.999(2) . ?
Cu2 HH 1.71(5) . ?
Cu2 HB 1.71(4) . ?
Cu2 Cu3 2.5306(6) . ?
Cu2 Cu4 2.8658(6) . ?
Cu2 Cu5 2.6297(6) . ?
Cu2 Cu7 2.6315(6) 3_666 ?
Cu2 Cu8 2.6432(6) . ?
Cu2 O6 1.970(3) . ?
Cu3 HA 1.89(5) . ?
Cu3 HB 1.78(4) . ?
Cu3 Cu4 2.5012(6) . ?
Cu3 Cu8 2.8919(6) . ?
Cu3 Cu11 2.6550(6) . ?
Cu3 Cu14 2.6009(6) . ?
Cu3 S2 2.3517(9) . ?
Cu3 O1 2.012(2) . ?
Cu4 HA 1.61(5) . ?
Cu4 Cu4 2.3704(8) 3_666 ?
Cu4 HC 1.74(4) . ?
Cu4 Cu5 2.8388(6) 3_666 ?
Cu4 Cu7 2.7735(6) 3_666 ?
Cu4 Cu7 2.6566(6) . ?
Cu4 Cu8 2.8330(5) . ?
Cu4 Cu8 2.6727(6) 3_666 ?
Cu4 Cu9 2.5399(5) . ?
Cu4 Cu11 2.5081(6) . ?
Cu5 HE 1.63(5) . ?
Cu5 Cu7 2.6604(5) 3_666 ?
Cu5 Cu8 2.6022(6) . ?
Cu5 Cu9 2.5553(6) 3_666 ?
Cu5 Cu11 2.5554(6) 3_666 ?
Cu5 O5 1.988(3) . ?
Cu6 HF 1.86(4) . ?
Cu6 Cu8 2.5633(6) . ?
Cu6 Cu9 2.6463(6) 3_666 ?
Cu6 Cu12 2.6789(6) . ?
Cu6 S1 2.2969(9) . ?
Cu6 P1 2.239(4) . ?
Cu6 P1A 2.230(14) . ?
Cu7 HC 1.73(4) . ?
Cu7 HG 1.75(4) . ?
Cu7 Cu10 2.4867(5) . ?
Cu7 Cu11 2.6860(6) . ?
Cu7 Cu12 2.8054(6) . ?
Cu7 Cu13 2.6082(6) . ?
Cu8 HB 1.71(4) . ?
Cu8 HC 1.67(4) . ?
Cu8 HF 1.72(5) . ?
Cu8 Cu9 2.9618(6) 3_666 ?
Cu8 Cu12 2.7348(6) . ?
Cu8 Cu14 2.5258(7) . ?
Cu9 HA 1.88(5) . ?
Cu9 HD 1.75(4) . ?
Cu9 Cu11 2.7594(6) . ?
Cu9 S1 2.4109(9) 3_666 ?
Cu9 O3 2.006(3) . ?
Cu10 HG 1.84(4) . ?
Cu10 Cu12 2.6513(6) . ?
Cu10 S1 2.3072(9) . ?
Cu10 P4 2.2065(10) . ?
Cu11 HA 1.97(5) . ?
Cu11 Cu13 2.6436(6) . ?
Cu11 S2 2.3690(9) . ?
Cu11 O4 1.990(3) . ?
Cu12 HF 1.76(5) . ?
Cu12 HG 1.75(4) . ?
Cu12 Cu13 2.6786(6) . ?
Cu12 Cu14 2.6634(6) . ?
Cu12 Cl1 2.2765(12) . ?
Cu13 HG 1.76(4) . ?
Cu13 S2 2.2565(9) . ?
Cu13 P3 2.2130(10) . ?
Cu14 HF 1.79(4) . ?
Cu14 S2 2.2758(10) . ?
Cu14 P2 2.1982(13) . ?
Cu14 P2A 2.311(5) . ?
S1 C12 1.855(4) . ?
S2 C1 1.843(4) . ?
P1 C23 1.831(7) . ?
P1 C23A 2.17(3) . ?
P1 C29 1.823(7) . ?
P1 C29A 1.46(3) . ?
P1 C35 1.832(7) . ?
P1 C35A 1.876(18) . ?
P1A C23 1.480(12) . ?
P1A C23A 1.78(3) . ?
P1A C28 2.304(10) . ?
P1A C29 2.171(11) . ?
P1A C29A 1.80(3) . ?
P1A C35 2.019(13) . ?
P1A C35A 1.85(2) . ?
P2 P2A 0.893(6) . ?
P2 C36 1.843(5) . ?
P2 C36A 2.32(2) . ?
P2 C37 1.819(5) . ?
P2 C43 1.826(6) . ?
P2 C43A 1.36(2) . ?
P2 C44A 2.03(2) . ?
P2A C36 2.057(7) . ?
P2A C36A 1.87(2) . ?
P2A C37 1.264(7) . ?
P2A C37A 1.821(14) . ?
P2A C42 2.091(8) . ?
P2A C43A 1.85(2) . ?
P3 C49 1.866(14) . ?
P3 C49A 1.74(3) . ?
P3 C55 1.803(4) . ?
P3 C61 1.840(4) . ?
P4 C62 1.828(4) . ?
P4 C63 1.760(7) . ?
P4 C63A 1.960(12) . ?
P4 C69 1.836(9) . ?
P4 C69A 1.81(3) . ?
O1 C78 1.254(4) . ?
O2 C78 1.262(4) . ?
O3 C80 1.226(5) . ?
O4 C80 1.248(4) . ?
O5 C76 1.266(5) . ?
O6 C76 1.253(5) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 C2 1.493(5) . ?
C2 C3 1.371(6) . ?
C2 C3A 1.35(3) . ?
C2 C7 1.408(6) . ?
C2 C7A 1.28(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.378(7) . ?
C3A H3A 0.9300 . ?
C3A C4A 1.43(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.366(6) . ?
C4A H4A 0.9300 . ?
C4A C5 1.36(3) . ?
C5 C6 1.404(6) . ?
C5 C6A 1.42(3) . ?
C5 C8 1.531(6) . ?
C6 H6 0.9300 . ?
C6 C7 1.383(7) . ?
C6A H6A 0.9300 . ?
C6A C7A 1.46(4) . ?
C7 H7 0.9300 . ?
C7A H7A 0.9300 . ?
C8 C9 1.529(8) . ?
C8 C10 1.526(7) . ?
C8 C11 1.527(7) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C13 1.492(5) . ?
C13 C14 1.371(6) . ?
C13 C18 1.380(6) . ?
C14 H14 0.9300 . ?
C14 C15 1.411(7) . ?
C15 H15 0.9300 . ?
C15 C16 1.380(7) . ?
C16 C17 1.344(6) . ?
C16 C19 1.549(6) . ?
C17 H17 0.9300 . ?
C17 C18 1.374(6) . ?
C18 H18 0.9300 . ?
C19 C20 1.496(7) . ?
C19 C21 1.528(7) . ?
C19 C22 1.558(7) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C23A 0.51(3) . ?
C23 C24 1.404(8) . ?
C23 C24A 1.41(3) . ?
C23 C28 1.378(8) . ?
C23 C28A 1.85(3) . ?
C23A C24 1.59(3) . ?
C23A C24A 1.40(4) . ?
C23A C27 1.99(3) . ?
C23A C28 0.99(3) . ?
C23A C28A 1.38(4) . ?
C24 H24 0.9300 . ?
C24 C24A 0.55(3) . ?
C24 C25 1.391(8) . ?
C24 C25A 1.76(3) . ?
C24A H24A 0.9300 . ?
C24A C25 1.10(3) . ?
C24A C25A 1.33(4) . ?
C24A C26 1.92(3) . ?
C25 H25 0.9300 . ?
C25 C25A 0.56(3) . ?
C25 C26 1.370(9) . ?
C25 C26A 1.88(3) . ?
C25A H25A 0.9300 . ?
C25A C26 0.94(3) . ?
C25A C26A 1.35(4) . ?
C26 H26 0.9300 . ?
C26 C26A 0.63(2) . ?
C26 C27 1.403(9) . ?
C26 C27A 1.65(2) . ?
C26A H26A 0.9300 . ?
C26A C27 1.41(3) . ?
C26A C27A 1.37(3) . ?
C27 H27 0.9300 . ?
C27 C27A 0.67(2) . ?
C27 C28 1.395(7) . ?
C27 C28A 1.17(3) . ?
C27A H27A 0.9300 . ?
C27A C28 1.80(3) . ?
C27A C28A 1.37(4) . ?
C28 H28 0.9300 . ?
C28 C28A 0.59(2) . ?
C28A H28A 0.9300 . ?
C29 C30 1.395(8) . ?
C29 C30A 1.06(4) . ?
C29 C34 1.387(7) . ?
C29 C34A 1.40(3) . ?
C29A C30 1.71(4) . ?
C29A C30A 1.386(10) . ?
C29A C34 1.54(3) . ?
C29A C34A 1.394(10) . ?
C30 H30 0.9300 . ?
C30 C31 1.386(8) . ?
C30 C31A 1.29(5) . ?
C30A H30A 0.9300 . ?
C30A C31 1.56(4) . ?
C30A C31A 1.389(10) . ?
C31 H31 0.9300 . ?
C31 C32 1.368(9) . ?
C31 C32A 1.68(3) . ?
C31A H31A 0.9300 . ?
C31A C32 1.18(4) . ?
C31A C32A 1.389(10) . ?
C32 H32 0.9300 . ?
C32 C32A 0.52(2) . ?
C32 C33 1.391(10) . ?
C32 C33A 1.89(3) . ?
C32A H32A 0.9300 . ?
C32A C33 0.88(2) . ?
C32A C33A 1.385(10) . ?
C32A C34 1.97(3) . ?
C33 H33 0.9300 . ?
C33 C33A 0.56(2) . ?
C33 C34 1.384(8) . ?
C33 C34A 1.88(3) . ?
C33A H33A 0.9300 . ?
C33A C34 0.94(3) . ?
C33A C34A 1.388(10) . ?
C34 H34 0.9300 . ?
C34 C34A 0.55(3) . ?
C34A H34A 0.9300 . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 C35A 0.92(2) . ?
C35 C36 1.540(7) . ?
C35 C36A 0.82(2) . ?
C35A H35C 0.9700 . ?
C35A H35D 0.9700 . ?
C35A C36 1.091(18) . ?
C35A C36A 1.47(3) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C36 C36A 1.53(3) . ?
C36A H36C 0.9700 . ?
C36A H36D 0.9700 . ?
C37 C37A 1.13(2) . ?
C37 C42A 1.67(2) . ?
C37 C38 1.386(7) . ?
C37 C42 1.373(8) . ?
C37 C43A 1.87(3) . ?
C37A C38A 1.3900 . ?
C37A C42A 1.3900 . ?
C37A C41 1.571(14) . ?
C37A C42 0.58(2) . ?
C38A H38A 0.9300 . ?
C38A C39A 1.3900 . ?
C38A C41 1.704(16) . ?
C38A C42 1.70(2) . ?
C39A H39A 0.9300 . ?
C39A C40A 1.3900 . ?
C39A C41 1.570(16) . ?
C40A H40A 0.9300 . ?
C40A C41A 1.3900 . ?
C40A C40 1.65(2) . ?
C40A C41 1.263(14) . ?
C41A H41A 0.9300 . ?
C41A C42A 1.3900 . ?
C41A C40 1.58(2) . ?
C41A C41 1.076(16) . ?
C42A H42A 0.9300 . ?
C42A C40 1.95(2) . ?
C42A C41 1.263(15) . ?
C42A C42 1.03(2) . ?
C38 H38 0.9300 . ?
C38 C39 1.389(9) . ?
C38 C48A 1.97(2) . ?
C39 H39 0.9300 . ?
C39 C40 1.369(9) . ?
C40 H40 0.9300 . ?
C40 C41 1.381(9) . ?
C41 H41 0.9300 . ?
C41 C42 1.387(9) . ?
C42 H42 0.9300 . ?
C43 C43A 1.18(3) . ?
C43 C44 1.399(11) . ?
C43 C45A 1.57(3) . ?
C43 C48 1.362(10) . ?
C43A C44A 1.393(10) . ?
C43A C48 1.64(2) . ?
C43A C48A 1.387(10) . ?
C44 H44 0.9300 . ?
C44 C44A 1.42(4) . ?
C44 C45 1.376(9) . ?
C44 C45A 1.83(2) . ?
C44A H44A 0.9300 . ?
C44A C45A 1.390(10) . ?
C44A C48 1.24(4) . ?
C45 H45 0.9300 . ?
C45 C45A 1.77(3) . ?
C45 C46 1.396(11) . ?
C45A H45A 0.9300 . ?
C45A C46 1.37(3) . ?
C45A C46A 1.393(10) . ?
C45A C47 0.93(2) . ?
C45A C48 1.07(3) . ?
C46 H46 0.9300 . ?
C46 C46A 1.87(2) . ?
C46 C47 1.323(11) . ?
C46A H46A 0.9300 . ?
C46A C47 0.984(19) . ?
C46A C47A 1.375(10) . ?
C46A C48 1.49(2) . ?
C47 H47 0.9300 . ?
C47 C48 1.421(10) . ?
C47A H47A 0.9300 . ?
C47A C48 1.81(2) . ?
C47A C48A 1.382(10) . ?
C48 H48 0.9300 . ?
C48 C48A 1.89(2) . ?
C48A H48A 0.9300 . ?
C49 C50 1.377(15) . ?
C49 C54 1.346(18) . ?
C49A C50A 1.36(3) . ?
C49A C54A 1.48(3) . ?
C50 H50 0.9300 . ?
C50 C51 1.373(14) . ?
C50A H50A 0.9300 . ?
C50A C51A 1.41(3) . ?
C51 H51 0.9300 . ?
C51 C52 1.372(12) . ?
C51A H51A 0.9300 . ?
C51A C52A 1.396(19) . ?
C52 H52 0.9300 . ?
C52 C53 1.369(13) . ?
C52A H52A 0.9300 . ?
C52A C53A 1.445(19) . ?
C53 H53 0.9300 . ?
C53 C54 1.414(11) . ?
C53A H53A 0.9300 . ?
C53A C54A 1.352(18) . ?
C54 H54 0.9300 . ?
C54A H54A 0.9300 . ?
C55 C56 1.367(8) . ?
C55 C56A 1.50(3) . ?
C55 C60 1.426(9) . ?
C55 C60A 1.25(3) . ?
C56 H56 0.9300 . ?
C56 C57 1.388(12) . ?
C56A H56A 0.9300 . ?
C56A C57A 1.39(3) . ?
C57 H57 0.9300 . ?
C57 C58 1.368(14) . ?
C57A H57A 0.9300 . ?
C57A C58A 1.38(4) . ?
C58 H58 0.9300 . ?
C58 C59 1.423(12) . ?
C58A H58A 0.9300 . ?
C58A C59A 1.37(4) . ?
C59 H59 0.9300 . ?
C59 C60 1.381(10) . ?
C59A H59A 0.9300 . ?
C59A C60A 1.41(3) . ?
C60 H60 0.9300 . ?
C60A H60A 0.9300 . ?
C61 H61A 0.9700 . ?
C61 H61B 0.9700 . ?
C61 C62 1.544(5) . ?
C62 H62A 0.9700 . ?
C62 H62B 0.9700 . ?
C63 C64 1.379(9) . ?
C63 C68 1.418(8) . ?
C63A C68A 1.3900 . ?
C63A C64A 1.3900 . ?
C68A H68A 0.9300 . ?
C68A C67A 1.3900 . ?
C67A H67A 0.9300 . ?
C67A C66A 1.3900 . ?
C66A H66A 0.9300 . ?
C66A C65A 1.3900 . ?
C65A H65A 0.9300 . ?
C65A C64A 1.3900 . ?
C64A H64A 0.9300 . ?
C64 H64 0.9300 . ?
C64 C65 1.388(9) . ?
C65 H65 0.9300 . ?
C65 C66 1.358(10) . ?
C66 H66 0.9300 . ?
C66 C67 1.371(10) . ?
C67 H67 0.9300 . ?
C67 C68 1.404(9) . ?
C68 H68 0.9300 . ?
C69 C70 1.396(10) . ?
C69 C74 1.393(9) . ?
C69A C70A 1.30(4) . ?
C69A C74A 1.39(3) . ?
C70 H70 0.9300 . ?
C70 C71 1.391(9) . ?
C70A H70A 0.9300 . ?
C70A C71A 1.41(3) . ?
C71 H71 0.9300 . ?
C71 C72 1.396(11) . ?
C71A H71A 0.9300 . ?
C71A C72A 1.38(4) . ?
C72 H72 0.9300 . ?
C72 C73 1.363(12) . ?
C72A H72A 0.9300 . ?
C72A C73A 1.38(3) . ?
C73 H73 0.9300 . ?
C73 C74 1.421(11) . ?
C73A H73A 0.9300 . ?
C73A C74A 1.40(3) . ?
C74 H74 0.9300 . ?
C74A H74A 0.9300 . ?
C75 H75A 0.9600 . ?
C75 H75B 0.9600 . ?
C75 H75C 0.9600 . ?
C75 C76 1.527(6) . ?
C77 H77A 0.9600 . ?
C77 H77B 0.9600 . ?
C77 H77C 0.9600 . ?
C77 C78 1.519(5) . ?
C79 H79A 0.9600 . ?
C79 H79B 0.9600 . ?
C79 H79C 0.9600 . ?
C79 C80 1.550(6) . ?

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
HH Cu1 HA 122(2) . . ?
Cu2 Cu1 HH 41.8(14) . . ?
Cu2 Cu1 HA 92.4(17) . . ?
Cu2 Cu1 Cu3 57.937(16) . . ?
Cu2 Cu1 Cu7 55.255(15) . 3_666 ?
Cu2 Cu1 Cu9 129.035(19) . . ?
Cu3 Cu1 HH 99.2(14) . . ?
Cu3 Cu1 HA 45.2(17) . . ?
Cu3 Cu1 Cu7 98.771(17) . 3_666 ?
Cu4 Cu1 HH 84.5(14) . . ?
Cu4 Cu1 HA 40.3(17) . . ?
Cu4 Cu1 Cu2 69.264(16) . . ?
Cu4 Cu1 Cu3 58.066(16) . . ?
Cu4 Cu1 Cu7 59.277(15) . 3_666 ?
Cu4 Cu1 Cu9 59.831(15) . . ?
Cu4 Cu1 Cu10 106.51(2) . 3_666 ?
Cu7 Cu1 HH 32.0(14) 3_666 . ?
Cu7 Cu1 HA 99.6(17) 3_666 . ?
Cu9 Cu1 HH 129.3(14) . . ?
Cu9 Cu1 HA 46.2(17) . . ?
Cu9 Cu1 Cu3 91.261(17) . . ?
Cu9 Cu1 Cu7 97.556(17) . 3_666 ?
Cu10 Cu1 HH 48.2(14) 3_666 . ?
Cu10 Cu1 HA 141.3(17) 3_666 . ?
Cu10 Cu1 Cu2 89.959(19) 3_666 . ?
Cu10 Cu1 Cu3 147.06(2) 3_666 . ?
Cu10 Cu1 Cu7 51.933(14) 3_666 3_666 ?
Cu10 Cu1 Cu9 105.846(19) 3_666 . ?
S1 Cu1 HH 101.4(14) 3_666 . ?
S1 Cu1 HA 103.7(17) 3_666 . ?
S1 Cu1 Cu2 141.06(3) 3_666 . ?
S1 Cu1 Cu3 148.83(3) 3_666 . ?
S1 Cu1 Cu4 100.99(3) 3_666 . ?
S1 Cu1 Cu7 86.87(2) 3_666 3_666 ?
S1 Cu1 Cu9 57.57(2) 3_666 . ?
S1 Cu1 Cu10 55.65(2) 3_666 3_666 ?
O2 Cu1 HH 109.8(14) . . ?
O2 Cu1 HA 109.7(17) . . ?
O2 Cu1 Cu2 98.38(7) . . ?
O2 Cu1 Cu3 85.64(7) . . ?
O2 Cu1 Cu4 143.12(7) . . ?
O2 Cu1 Cu7 141.74(7) . 3_666 ?
O2 Cu1 Cu9 120.43(7) . . ?
O2 Cu1 Cu10 108.13(7) . 3_666 ?
O2 Cu1 S1 108.73(7) . 3_666 ?
Cu1 Cu2 HH 45.4(15) . . ?
Cu1 Cu2 HB 107.5(15) . . ?
Cu1 Cu2 Cu4 54.081(14) . . ?
Cu1 Cu2 Cu5 130.80(2) . . ?
Cu1 Cu2 Cu7 71.679(16) . 3_666 ?
Cu1 Cu2 Cu8 113.561(19) . . ?
HH Cu2 HB 150(2) . . ?
Cu3 Cu2 Cu1 63.052(16) . . ?
Cu3 Cu2 HH 107.9(15) . . ?
Cu3 Cu2 HB 44.7(15) . . ?
Cu3 Cu2 Cu4 54.799(15) . . ?
Cu3 Cu2 Cu5 126.11(2) . . ?
Cu3 Cu2 Cu7 114.24(2) . 3_666 ?
Cu3 Cu2 Cu8 67.924(17) . . ?
Cu4 Cu2 HH 75.1(15) . . ?
Cu4 Cu2 HB 77.3(14) . . ?
Cu5 Cu2 HH 98.3(15) . . ?
Cu5 Cu2 HB 93.2(14) . . ?
Cu5 Cu2 Cu4 89.970(17) . . ?
Cu5 Cu2 Cu7 60.750(16) . 3_666 ?
Cu5 Cu2 Cu8 59.142(16) . . ?
Cu7 Cu2 HH 42.0(15) 3_666 . ?
Cu7 Cu2 HB 128.2(14) 3_666 . ?
Cu7 Cu2 Cu4 60.420(15) 3_666 . ?
Cu7 Cu2 Cu8 91.791(18) 3_666 . ?
Cu8 Cu2 HH 129.6(15) . . ?
Cu8 Cu2 HB 39.3(14) . . ?
Cu8 Cu2 Cu4 61.737(14) . . ?
O6 Cu2 Cu1 129.67(9) . . ?
O6 Cu2 HH 106.2(15) . . ?
O6 Cu2 HB 102.1(14) . . ?
O6 Cu2 Cu3 127.51(11) . . ?
O6 Cu2 Cu4 175.84(9) . . ?
O6 Cu2 Cu5 85.95(9) . . ?
O6 Cu2 Cu7 117.89(11) . 3_666 ?
O6 Cu2 Cu8 115.20(9) . . ?
Cu1 Cu3 HA 42.9(17) . . ?
Cu1 Cu3 HB 101.2(14) . . ?
Cu1 Cu3 Cu8 103.143(19) . . ?
HA Cu3 HB 124(2) . . ?
Cu2 Cu3 Cu1 59.011(15) . . ?
Cu2 Cu3 HA 91.5(17) . . ?
Cu2 Cu3 HB 42.5(14) . . ?
Cu2 Cu3 Cu8 57.889(15) . . ?
Cu2 Cu3 Cu11 127.55(2) . . ?
Cu2 Cu3 Cu14 96.29(2) . . ?
Cu4 Cu3 Cu1 57.355(15) . . ?
Cu4 Cu3 HA 40.0(16) . . ?
Cu4 Cu3 Cu2 69.434(18) . . ?
Cu4 Cu3 HB 87.1(14) . . ?
Cu4 Cu3 Cu8 62.887(15) . . ?
Cu4 Cu3 Cu11 58.119(16) . . ?
Cu4 Cu3 Cu14 111.57(2) . . ?
Cu8 Cu3 HA 102.8(16) . . ?
Cu8 Cu3 HB 33.2(13) . . ?
Cu11 Cu3 Cu1 90.818(17) . . ?
Cu11 Cu3 HA 47.9(17) . . ?
Cu11 Cu3 HB 128.5(14) . . ?
Cu11 Cu3 Cu8 95.275(17) . . ?
Cu14 Cu3 Cu1 154.71(2) . . ?
Cu14 Cu3 HA 143.9(16) . . ?
Cu14 Cu3 HB 53.8(14) . . ?
Cu14 Cu3 Cu8 54.442(15) . . ?
Cu14 Cu3 Cu11 101.945(19) . . ?
S2 Cu3 Cu1 145.88(3) . . ?
S2 Cu3 HA 103.7(17) . . ?
S2 Cu3 Cu2 146.41(3) . . ?
S2 Cu3 HB 106.1(14) . . ?
S2 Cu3 Cu4 103.69(3) . . ?
S2 Cu3 Cu8 89.27(3) . . ?
S2 Cu3 Cu11 56.08(2) . . ?
S2 Cu3 Cu14 54.43(2) . . ?
O1 Cu3 Cu1 82.67(7) . . ?
O1 Cu3 HA 105.8(16) . . ?
O1 Cu3 Cu2 97.48(8) . . ?
O1 Cu3 HB 109.3(14) . . ?
O1 Cu3 Cu4 139.40(7) . . ?
O1 Cu3 Cu8 142.52(8) . . ?
O1 Cu3 Cu11 121.88(8) . . ?
O1 Cu3 Cu14 107.91(7) . . ?
O1 Cu3 S2 106.61(8) . . ?
Cu1 Cu4 HA 47(2) . . ?
Cu1 Cu4 Cu2 56.656(14) . . ?
Cu1 Cu4 Cu3 64.580(16) . . ?
Cu1 Cu4 HC 142.9(12) . . ?
Cu1 Cu4 Cu5 118.927(19) . 3_666 ?
Cu1 Cu4 Cu7 160.24(2) . . ?
Cu1 Cu4 Cu7 70.443(16) . 3_666 ?
Cu1 Cu4 Cu8 109.809(19) . . ?
Cu1 Cu4 Cu8 103.233(19) . 3_666 ?
Cu1 Cu4 Cu9 62.531(15) . . ?
Cu1 Cu4 Cu11 98.722(19) . . ?
HA Cu4 HC 131(2) . . ?
Cu2 Cu4 HA 86.5(19) . . ?
Cu2 Cu4 HC 87.4(12) . . ?
Cu3 Cu4 HA 49.0(19) . . ?
Cu3 Cu4 Cu2 55.767(16) . . ?
Cu3 Cu4 HC 88.5(12) . . ?
Cu3 Cu4 Cu5 120.53(2) . 3_666 ?
Cu3 Cu4 Cu7 110.453(19) . 3_666 ?
Cu3 Cu4 Cu7 99.320(19) . . ?
Cu3 Cu4 Cu8 65.314(16) . . ?
Cu3 Cu4 Cu8 165.08(2) . 3_666 ?
Cu3 Cu4 Cu9 96.682(19) . . ?
Cu3 Cu4 Cu11 64.015(17) . . ?
Cu4 Cu4 Cu1 131.54(3) 3_666 . ?
Cu4 Cu4 HA 175.0(19) 3_666 . ?
Cu4 Cu4 Cu2 89.09(2) 3_666 . ?
Cu4 Cu4 Cu3 126.18(3) 3_666 . ?
Cu4 Cu4 HC 46.6(13) 3_666 . ?
Cu4 Cu4 Cu5 96.15(2) 3_666 3_666 ?
Cu4 Cu4 Cu7 66.69(2) 3_666 . ?
Cu4 Cu4 Cu7 61.603(19) 3_666 3_666 ?
Cu4 Cu4 Cu8 61.049(19) 3_666 . ?
Cu4 Cu4 Cu8 68.05(2) 3_666 3_666 ?
Cu4 Cu4 Cu9 137.13(3) 3_666 . ?
Cu4 Cu4 Cu11 129.28(3) 3_666 . ?
Cu5 Cu4 HA 88.3(19) 3_666 . ?
Cu5 Cu4 Cu2 174.75(2) 3_666 . ?
Cu5 Cu4 HC 96.3(13) 3_666 . ?
Cu7 Cu4 HA 117(2) 3_666 . ?
Cu7 Cu4 HA 114(2) . . ?
Cu7 Cu4 Cu2 125.142(18) . . ?
Cu7 Cu4 Cu2 55.604(15) 3_666 . ?
Cu7 Cu4 HC 98.5(13) 3_666 . ?
Cu7 Cu4 HC 39.8(13) . . ?
Cu7 Cu4 Cu5 127.025(19) 3_666 3_666 ?
Cu7 Cu4 Cu5 57.794(14) . 3_666 ?
Cu7 Cu4 Cu7 128.289(17) . 3_666 ?
Cu7 Cu4 Cu8 84.993(16) 3_666 . ?
Cu7 Cu4 Cu8 90.586(18) . 3_666 ?
Cu7 Cu4 Cu8 70.075(15) . . ?
Cu8 Cu4 HA 116.6(19) 3_666 . ?
Cu8 Cu4 HA 114.3(19) . . ?
Cu8 Cu4 Cu2 55.265(13) . . ?
Cu8 Cu4 Cu2 126.15(2) 3_666 . ?
Cu8 Cu4 HC 33.1(12) . . ?
Cu8 Cu4 HC 106.2(12) 3_666 . ?
Cu8 Cu4 Cu5 127.867(18) . 3_666 ?
Cu8 Cu4 Cu5 56.250(15) 3_666 3_666 ?
Cu8 Cu4 Cu7 70.776(16) 3_666 3_666 ?
Cu8 Cu4 Cu8 129.099(17) 3_666 . ?
Cu9 Cu4 HA 47.7(19) . . ?
Cu9 Cu4 Cu2 119.138(18) . . ?
Cu9 Cu4 HC 150.8(13) . . ?
Cu9 Cu4 Cu5 56.402(14) . 3_666 ?
Cu9 Cu4 Cu7 106.401(18) . 3_666 ?
Cu9 Cu4 Cu7 111.051(19) . . ?
Cu9 Cu4 Cu8 161.51(2) . . ?
Cu9 Cu4 Cu8 69.194(16) . 3_666 ?
Cu11 Cu4 HA 52(2) . . ?
Cu11 Cu4 Cu2 119.78(2) . . ?
Cu11 Cu4 HC 90.9(13) . . ?
Cu11 Cu4 Cu5 56.697(16) . 3_666 ?
Cu11 Cu4 Cu7 169.11(2) . 3_666 ?
Cu11 Cu4 Cu7 62.595(16) . . ?
Cu11 Cu4 Cu8 100.164(18) . . ?
Cu11 Cu4 Cu8 111.99(2) . 3_666 ?
Cu11 Cu4 Cu9 66.269(16) . . ?
Cu2 Cu5 Cu4 84.781(16) . 3_666 ?
Cu2 Cu5 HE 94.5(18) . . ?
Cu2 Cu5 Cu7 59.658(15) . 3_666 ?
Cu4 Cu5 HE 73.4(18) 3_666 . ?
Cu7 Cu5 Cu4 57.667(14) 3_666 3_666 ?
Cu7 Cu5 HE 38.7(18) 3_666 . ?
Cu8 Cu5 Cu2 60.688(16) . . ?
Cu8 Cu5 Cu4 58.648(15) . 3_666 ?
Cu8 Cu5 HE 126.4(18) . . ?
Cu8 Cu5 Cu7 92.058(17) . 3_666 ?
Cu9 Cu5 Cu2 128.46(2) 3_666 . ?
Cu9 Cu5 Cu4 55.883(14) 3_666 3_666 ?
Cu9 Cu5 HE 103.0(17) 3_666 . ?
Cu9 Cu5 Cu7 110.442(19) 3_666 3_666 ?
Cu9 Cu5 Cu8 70.089(17) 3_666 . ?
Cu9 Cu5 Cu11 65.352(16) 3_666 3_666 ?
Cu11 Cu5 Cu2 120.64(2) 3_666 . ?
Cu11 Cu5 Cu4 55.112(15) 3_666 3_666 ?
Cu11 Cu5 HE 37.8(17) 3_666 . ?
Cu11 Cu5 Cu7 61.952(16) 3_666 3_666 ?
Cu11 Cu5 Cu8 112.79(2) 3_666 . ?
O5 Cu5 Cu2 83.03(9) . . ?
O5 Cu5 Cu4 167.40(9) . 3_666 ?
O5 Cu5 HE 110.7(18) . . ?
O5 Cu5 Cu7 117.67(9) . 3_666 ?
O5 Cu5 Cu8 111.96(10) . . ?
O5 Cu5 Cu9 131.58(9) . 3_666 ?
O5 Cu5 Cu11 135.23(10) . 3_666 ?
Cu8 Cu6 HF 42.1(14) . . ?
Cu8 Cu6 Cu9 69.273(17) . 3_666 ?
Cu8 Cu6 Cu12 62.847(16) . . ?
Cu9 Cu6 HF 110.2(14) 3_666 . ?
Cu9 Cu6 Cu12 104.919(19) 3_666 . ?
Cu12 Cu6 HF 40.8(14) . . ?
S1 Cu6 HF 110.2(14) . . ?
S1 Cu6 Cu8 96.21(2) . . ?
S1 Cu6 Cu9 57.87(2) . 3_666 ?
S1 Cu6 Cu12 73.67(3) . . ?
P1 Cu6 HF 102.4(14) . . ?
P1 Cu6 Cu8 119.85(7) . . ?
P1 Cu6 Cu9 125.35(8) . 3_666 ?
P1 Cu6 Cu12 127.84(9) . . ?
P1 Cu6 S1 143.11(9) . . ?
P1A Cu6 HF 103.5(14) . . ?
P1A Cu6 Cu8 128.2(3) . . ?
P1A Cu6 Cu9 133.5(3) . 3_666 ?
P1A Cu6 Cu12 121.4(3) . . ?
P1A Cu6 S1 135.5(3) . . ?
P1A Cu6 P1 11.8(2) . . ?
Cu1 Cu7 HC 78.1(13) 3_666 . ?
Cu1 Cu7 HG 99.6(13) 3_666 . ?
Cu2 Cu7 Cu1 53.065(14) 3_666 3_666 ?
Cu2 Cu7 Cu4 63.976(16) 3_666 3_666 ?
Cu2 Cu7 Cu4 88.497(18) 3_666 . ?
Cu2 Cu7 HC 99.5(13) 3_666 . ?
Cu2 Cu7 Cu5 59.591(15) 3_666 3_666 ?
Cu2 Cu7 HG 132.8(12) 3_666 . ?
Cu2 Cu7 Cu11 115.812(19) 3_666 . ?
Cu2 Cu7 Cu12 143.64(2) 3_666 . ?
Cu4 Cu7 Cu1 101.708(18) . 3_666 ?
Cu4 Cu7 Cu1 50.280(13) 3_666 3_666 ?
Cu4 Cu7 Cu4 51.710(17) . 3_666 ?
Cu4 Cu7 HC 40.1(12) . . ?
Cu4 Cu7 HC 36.5(12) 3_666 . ?
Cu4 Cu7 Cu5 64.540(15) . 3_666 ?
Cu4 Cu7 HG 131.9(13) 3_666 . ?
Cu4 Cu7 HG 138.0(12) . . ?
Cu4 Cu7 Cu11 55.994(15) . . ?
Cu4 Cu7 Cu12 107.136(18) . . ?
Cu4 Cu7 Cu12 99.904(17) 3_666 . ?
HC Cu7 HG 112.3(18) . . ?
Cu5 Cu7 Cu1 111.561(19) 3_666 3_666 ?
Cu5 Cu7 Cu4 91.362(17) 3_666 3_666 ?
Cu5 Cu7 HC 103.2(12) 3_666 . ?
Cu5 Cu7 HG 136.8(13) 3_666 . ?
Cu5 Cu7 Cu11 57.106(15) 3_666 . ?
Cu5 Cu7 Cu12 156.74(2) 3_666 . ?
Cu10 Cu7 Cu1 53.814(15) . 3_666 ?
Cu10 Cu7 Cu2 89.708(19) . 3_666 ?
Cu10 Cu7 Cu4 99.922(18) . 3_666 ?
Cu10 Cu7 Cu4 148.54(2) . . ?
Cu10 Cu7 HC 109.6(12) . . ?
Cu10 Cu7 Cu5 138.30(2) . 3_666 ?
Cu10 Cu7 HG 47.7(12) . . ?
Cu10 Cu7 Cu11 148.45(2) . . ?
Cu10 Cu7 Cu12 59.770(16) . . ?
Cu10 Cu7 Cu13 88.560(18) . . ?
Cu11 Cu7 Cu1 157.170(19) . 3_666 ?
Cu11 Cu7 Cu4 107.703(18) . 3_666 ?
Cu11 Cu7 HC 85.3(13) . . ?
Cu11 Cu7 HG 101.2(13) . . ?
Cu11 Cu7 Cu12 99.880(19) . . ?
Cu12 Cu7 Cu1 91.134(16) . 3_666 ?
Cu12 Cu7 HC 75.7(12) . . ?
Cu12 Cu7 HG 36.6(13) . . ?
Cu13 Cu7 Cu1 141.587(19) . 3_666 ?
Cu13 Cu7 Cu2 146.07(2) . 3_666 ?
Cu13 Cu7 Cu4 149.38(2) . 3_666 ?
Cu13 Cu7 Cu4 109.71(2) . . ?
Cu13 Cu7 HC 113.0(12) . . ?
Cu13 Cu7 Cu5 101.758(19) . 3_666 ?
Cu13 Cu7 HG 42.0(13) . . ?
Cu13 Cu7 Cu11 59.892(16) . . ?
Cu13 Cu7 Cu12 59.178(16) . . ?
Cu2 Cu8 HB 39.4(15) . . ?
Cu2 Cu8 Cu3 54.187(15) . . ?
Cu2 Cu8 Cu4 87.915(17) . 3_666 ?
Cu2 Cu8 Cu4 62.998(14) . . ?
Cu2 Cu8 HC 96.6(13) . . ?
Cu2 Cu8 HF 133.7(15) . . ?
Cu2 Cu8 Cu9 112.711(19) . 3_666 ?
Cu2 Cu8 Cu12 150.77(2) . . ?
HB Cu8 HC 110.0(19) . . ?
HB Cu8 HF 97(2) . . ?
Cu3 Cu8 HB 34.9(14) . . ?
Cu3 Cu8 HC 77.4(13) . . ?
Cu3 Cu8 HF 101.1(15) . . ?
Cu3 Cu8 Cu9 155.103(19) . 3_666 ?
Cu4 Cu8 HB 122.0(14) 3_666 . ?
Cu4 Cu8 HB 78.3(14) . . ?
Cu4 Cu8 Cu3 102.586(17) 3_666 . ?
Cu4 Cu8 Cu3 51.800(14) . . ?
Cu4 Cu8 Cu4 50.901(17) 3_666 . ?
Cu4 Cu8 HC 38.8(13) 3_666 . ?
Cu4 Cu8 HC 34.6(13) . . ?
Cu4 Cu8 HF 138.2(15) 3_666 . ?
Cu4 Cu8 HF 136.3(15) . . ?
Cu4 Cu8 Cu9 53.287(14) 3_666 3_666 ?
Cu4 Cu8 Cu9 104.132(17) . 3_666 ?
Cu4 Cu8 Cu12 104.323(19) 3_666 . ?
HC Cu8 HF 117(2) . . ?
Cu5 Cu8 Cu2 60.170(16) . . ?
Cu5 Cu8 HB 94.2(15) . . ?
Cu5 Cu8 Cu3 113.614(18) . . ?
Cu5 Cu8 Cu4 65.101(16) . 3_666 ?
Cu5 Cu8 Cu4 91.255(17) . . ?
Cu5 Cu8 HC 102.1(13) . . ?
Cu5 Cu8 HF 132.4(15) . . ?
Cu5 Cu8 Cu9 54.212(15) . 3_666 ?
Cu5 Cu8 Cu12 149.04(2) . . ?
Cu6 Cu8 Cu2 141.96(2) . . ?
Cu6 Cu8 HB 130.3(14) . . ?
Cu6 Cu8 Cu3 147.51(2) . . ?
Cu6 Cu8 Cu4 105.542(20) . 3_666 ?
Cu6 Cu8 Cu4 150.58(2) . . ?
Cu6 Cu8 HC 116.3(13) . . ?
Cu6 Cu8 Cu5 92.992(19) . . ?
Cu6 Cu8 HF 46.6(15) . . ?
Cu6 Cu8 Cu9 56.686(15) . 3_666 ?
Cu6 Cu8 Cu12 60.643(15) . . ?
Cu9 Cu8 HB 148.1(15) 3_666 . ?
Cu9 Cu8 HC 84.1(13) 3_666 . ?
Cu9 Cu8 HF 102.1(15) 3_666 . ?
Cu12 Cu8 HB 114.9(15) . . ?
Cu12 Cu8 Cu3 96.868(18) . . ?
Cu12 Cu8 Cu4 104.253(17) . . ?
Cu12 Cu8 HC 78.6(13) . . ?
Cu12 Cu8 HF 38.6(15) . . ?
Cu12 Cu8 Cu9 95.591(17) . 3_666 ?
Cu14 Cu8 Cu2 95.35(2) . . ?
Cu14 Cu8 HB 56.0(15) . . ?
Cu14 Cu8 Cu3 56.900(15) . . ?
Cu14 Cu8 Cu4 103.738(19) . . ?
Cu14 Cu8 Cu4 149.00(2) . 3_666 ?
Cu14 Cu8 HC 110.3(13) . . ?
Cu14 Cu8 Cu5 141.59(2) . . ?
Cu14 Cu8 Cu6 90.706(19) . . ?
Cu14 Cu8 HF 45.0(15) . . ?
Cu14 Cu8 Cu9 147.13(2) . 3_666 ?
Cu14 Cu8 Cu12 60.680(17) . . ?
Cu1 Cu9 HA 44.1(17) . . ?
Cu1 Cu9 HD 127.0(13) . . ?
Cu1 Cu9 Cu6 103.588(19) . 3_666 ?
Cu1 Cu9 Cu8 92.865(17) . 3_666 ?
Cu1 Cu9 Cu11 89.711(17) . . ?
HA Cu9 HD 121(2) . . ?
Cu4 Cu9 Cu1 57.639(15) . . ?
Cu4 Cu9 HA 39.2(16) . . ?
Cu4 Cu9 Cu5 67.715(16) . 3_666 ?
Cu4 Cu9 HD 84.0(13) . . ?
Cu4 Cu9 Cu6 107.01(2) . 3_666 ?
Cu4 Cu9 Cu8 57.518(14) . 3_666 ?
Cu4 Cu9 Cu11 56.311(15) . . ?
Cu5 Cu9 Cu1 125.348(19) 3_666 . ?
Cu5 Cu9 HA 91.8(16) 3_666 . ?
Cu5 Cu9 HD 41.1(13) 3_666 . ?
Cu5 Cu9 Cu6 92.147(19) 3_666 3_666 ?
Cu5 Cu9 Cu8 55.699(15) 3_666 3_666 ?
Cu5 Cu9 Cu11 57.324(15) 3_666 . ?
Cu6 Cu9 HA 139.0(17) 3_666 . ?
Cu6 Cu9 HD 51.0(13) 3_666 . ?
Cu6 Cu9 Cu8 54.045(14) 3_666 3_666 ?
Cu6 Cu9 Cu11 148.28(2) 3_666 . ?
Cu8 Cu9 HA 96.5(16) 3_666 . ?
Cu8 Cu9 HD 34.3(13) 3_666 . ?
Cu11 Cu9 HA 45.7(17) . . ?
Cu11 Cu9 HD 98.0(13) . . ?
Cu11 Cu9 Cu8 97.267(17) . 3_666 ?
S1 Cu9 Cu1 56.57(2) 3_666 . ?
S1 Cu9 HA 100.6(17) 3_666 . ?
S1 Cu9 Cu4 98.60(2) 3_666 . ?
S1 Cu9 Cu5 139.14(3) 3_666 3_666 ?
S1 Cu9 HD 101.4(14) 3_666 . ?
S1 Cu9 Cu6 53.78(2) 3_666 3_666 ?
S1 Cu9 Cu8 84.12(2) 3_666 3_666 ?
S1 Cu9 Cu11 146.24(3) 3_666 . ?
O3 Cu9 Cu1 121.98(8) . . ?
O3 Cu9 HA 105.5(17) . . ?
O3 Cu9 Cu4 135.84(8) . . ?
O3 Cu9 Cu5 95.96(8) . 3_666 ?
O3 Cu9 HD 111.0(14) . . ?
O3 Cu9 Cu6 114.62(8) . 3_666 ?
O3 Cu9 Cu8 144.88(8) . 3_666 ?
O3 Cu9 Cu11 80.07(8) . . ?
O3 Cu9 S1 117.30(9) . 3_666 ?
Cu1 Cu10 HG 116.4(12) 3_666 . ?
Cu1 Cu10 Cu12 106.865(19) 3_666 . ?
Cu7 Cu10 Cu1 74.256(17) . 3_666 ?
Cu7 Cu10 HG 44.6(12) . . ?
Cu7 Cu10 Cu12 66.098(16) . . ?
Cu12 Cu10 HG 41.0(12) . . ?
S1 Cu10 Cu1 58.54(2) . 3_666 ?
S1 Cu10 Cu7 103.24(3) . . ?
S1 Cu10 HG 112.7(12) . . ?
S1 Cu10 Cu12 74.05(3) . . ?
P4 Cu10 Cu1 129.39(3) . 3_666 ?
P4 Cu10 Cu7 130.70(3) . . ?
P4 Cu10 HG 106.7(12) . . ?
P4 Cu10 Cu12 123.19(3) . . ?
P4 Cu10 S1 126.07(4) . . ?
Cu3 Cu11 HA 45.3(15) . . ?
Cu3 Cu11 Cu7 94.835(18) . . ?
Cu3 Cu11 Cu9 88.130(17) . . ?
Cu4 Cu11 HA 39.8(15) . . ?
Cu4 Cu11 Cu3 57.866(16) . . ?
Cu4 Cu11 Cu5 68.192(17) . 3_666 ?
Cu4 Cu11 Cu7 61.411(15) . . ?
Cu4 Cu11 Cu9 57.419(15) . . ?
Cu4 Cu11 Cu13 113.343(19) . . ?
Cu5 Cu11 HA 89.7(15) 3_666 . ?
Cu5 Cu11 Cu3 125.85(2) 3_666 . ?
Cu5 Cu11 Cu7 60.943(16) 3_666 . ?
Cu5 Cu11 Cu9 57.321(15) 3_666 . ?
Cu5 Cu11 Cu13 103.65(2) 3_666 . ?
Cu7 Cu11 HA 101.1(15) . . ?
Cu7 Cu11 Cu9 103.767(19) . . ?
Cu9 Cu11 HA 42.9(15) . . ?
Cu13 Cu11 HA 142.3(15) . . ?
Cu13 Cu11 Cu3 101.321(18) . . ?
Cu13 Cu11 Cu7 58.594(16) . . ?
Cu13 Cu11 Cu9 160.29(2) . . ?
S2 Cu11 HA 100.4(15) . . ?
S2 Cu11 Cu3 55.47(2) . . ?
S2 Cu11 Cu4 102.98(3) . . ?
S2 Cu11 Cu5 151.18(3) . 3_666 ?
S2 Cu11 Cu7 90.50(3) . . ?
S2 Cu11 Cu9 142.18(3) . . ?
S2 Cu11 Cu13 53.17(2) . . ?
O4 Cu11 HA 103.9(16) . . ?
O4 Cu11 Cu3 114.06(8) . . ?
O4 Cu11 Cu4 139.82(8) . . ?
O4 Cu11 Cu5 103.37(8) . 3_666 ?
O4 Cu11 Cu7 150.38(8) . . ?
O4 Cu11 Cu9 84.43(8) . . ?
O4 Cu11 Cu13 106.83(8) . . ?
O4 Cu11 S2 100.29(8) . . ?
Cu6 Cu12 HF 43.8(15) . . ?
Cu6 Cu12 Cu7 108.256(19) . . ?
Cu6 Cu12 HG 133.9(13) . . ?
Cu6 Cu12 Cu8 56.509(15) . . ?
HF Cu12 HG 143.0(19) . . ?
Cu7 Cu12 HF 106.8(15) . . ?
Cu7 Cu12 HG 36.7(13) . . ?
Cu8 Cu12 HF 37.6(15) . . ?
Cu8 Cu12 Cu7 69.411(15) . . ?
Cu8 Cu12 HG 106.0(13) . . ?
Cu10 Cu12 Cu6 94.908(19) . . ?
Cu10 Cu12 HF 130.9(15) . . ?
Cu10 Cu12 Cu7 54.132(14) . . ?
Cu10 Cu12 HG 43.8(12) . . ?
Cu10 Cu12 Cu8 102.960(19) . . ?
Cu10 Cu12 Cu13 83.760(18) . . ?
Cu10 Cu12 Cu14 153.89(2) . . ?
Cu13 Cu12 Cu6 162.06(2) . . ?
Cu13 Cu12 HF 126.5(14) . . ?
Cu13 Cu12 Cu7 56.740(16) . . ?
Cu13 Cu12 HG 40.3(13) . . ?
Cu13 Cu12 Cu8 106.253(18) . . ?
Cu14 Cu12 Cu6 85.335(19) . . ?
Cu14 Cu12 HF 41.7(15) . . ?
Cu14 Cu12 Cu7 100.959(18) . . ?
Cu14 Cu12 HG 122.0(12) . . ?
Cu14 Cu12 Cu8 55.776(17) . . ?
Cu14 Cu12 Cu13 88.100(19) . . ?
Cl1 Cu12 Cu6 102.43(4) . . ?
Cl1 Cu12 HF 105.8(15) . . ?
Cl1 Cu12 Cu7 145.72(4) . . ?
Cl1 Cu12 HG 109.5(13) . . ?
Cl1 Cu12 Cu8 143.28(4) . . ?
Cl1 Cu12 Cu10 109.03(4) . . ?
Cl1 Cu12 Cu13 94.87(4) . . ?
Cl1 Cu12 Cu14 96.34(5) . . ?
Cu7 Cu13 HG 41.8(13) . . ?
Cu7 Cu13 Cu11 61.514(16) . . ?
Cu7 Cu13 Cu12 64.082(16) . . ?
Cu11 Cu13 HG 102.6(13) . . ?
Cu11 Cu13 Cu12 104.336(19) . . ?
Cu12 Cu13 HG 40.0(12) . . ?
S2 Cu13 Cu7 95.09(3) . . ?
S2 Cu13 HG 113.4(13) . . ?
S2 Cu13 Cu11 57.17(3) . . ?
S2 Cu13 Cu12 80.73(3) . . ?
P3 Cu13 Cu7 116.50(3) . . ?
P3 Cu13 HG 104.2(13) . . ?
P3 Cu13 Cu11 119.14(3) . . ?
P3 Cu13 Cu12 130.50(3) . . ?
P3 Cu13 S2 142.17(4) . . ?
Cu3 Cu14 HF 110.5(14) . . ?
Cu3 Cu14 Cu12 106.24(2) . . ?
Cu8 Cu14 Cu3 68.658(17) . . ?
Cu8 Cu14 HF 42.8(14) . . ?
Cu8 Cu14 Cu12 63.544(17) . . ?
Cu12 Cu14 HF 40.9(15) . . ?
S2 Cu14 Cu3 57.20(2) . . ?
S2 Cu14 HF 117.5(14) . . ?
S2 Cu14 Cu8 100.84(3) . . ?
S2 Cu14 Cu12 80.73(3) . . ?
S2 Cu14 P2A 140.08(13) . . ?
P2 Cu14 Cu3 132.04(4) . . ?
P2 Cu14 HF 105.4(14) . . ?
P2 Cu14 Cu8 131.01(4) . . ?
P2 Cu14 Cu12 121.71(4) . . ?
P2 Cu14 S2 128.02(5) . . ?
P2 Cu14 P2A 22.68(15) . . ?
P2A Cu14 Cu3 116.62(14) . . ?
P2A Cu14 HF 101.8(14) . . ?
P2A Cu14 Cu8 113.37(16) . . ?
P2A Cu14 Cu12 132.34(12) . . ?
Cu1 S1 Cu9 65.86(2) 3_666 3_666 ?
Cu6 S1 Cu1 123.73(4) . 3_666 ?
Cu6 S1 Cu9 68.35(3) . 3_666 ?
Cu6 S1 Cu10 117.06(4) . . ?
Cu10 S1 Cu1 65.82(3) . 3_666 ?
Cu10 S1 Cu9 121.35(3) . 3_666 ?
C12 S1 Cu1 106.60(14) . 3_666 ?
C12 S1 Cu6 123.19(13) . . ?
C12 S1 Cu9 118.29(14) . 3_666 ?
C12 S1 Cu10 105.77(12) . . ?
Cu3 S2 Cu11 68.45(3) . . ?
Cu13 S2 Cu3 125.55(4) . . ?
Cu13 S2 Cu11 69.67(3) . . ?
Cu13 S2 Cu14 110.07(4) . . ?
Cu14 S2 Cu3 68.37(3) . . ?
Cu14 S2 Cu11 123.06(4) . . ?
C1 S2 Cu3 101.64(12) . . ?
C1 S2 Cu11 106.26(14) . . ?
C1 S2 Cu13 122.48(13) . . ?
C1 S2 Cu14 117.33(14) . . ?
C23 P1 Cu6 115.9(2) . . ?
C23 P1 C23A 10.9(8) . . ?
C23 P1 C35 104.7(3) . . ?
C23 P1 C35A 79.4(7) . . ?
C23A P1 Cu6 105.5(8) . . ?
C29 P1 Cu6 115.2(3) . . ?
C29 P1 C23 105.8(4) . . ?
C29 P1 C23A 109.6(9) . . ?
C29 P1 C35 103.5(3) . . ?
C29 P1 C35A 124.1(7) . . ?
C29A P1 Cu6 122.1(13) . . ?
C29A P1 C23 99.7(17) . . ?
C29A P1 C23A 104.3(19) . . ?
C29A P1 C29 7.3(16) . . ?
C29A P1 C35 101.7(14) . . ?
C29A P1 C35A 119.6(13) . . ?
C35 P1 Cu6 110.5(2) . . ?
C35 P1 C23A 112.8(8) . . ?
C35 P1 C35A 28.7(6) . . ?
C35A P1 Cu6 111.0(5) . . ?
C35A P1 C23A 85.8(10) . . ?
Cu6 P1A C28 104.4(5) . . ?
C23 P1A Cu6 136.5(7) . . ?
C23 P1A C23A 14.7(10) . . ?
C23 P1A C28 34.8(3) . . ?
C23 P1A C29 104.4(7) . . ?
C23 P1A C29A 100.7(15) . . ?
C23 P1A C35 110.9(8) . . ?
C23 P1A C35A 90.1(9) . . ?
C23A P1A Cu6 121.9(11) . . ?
C23A P1A C28 23.9(11) . . ?
C23A P1A C29 111.5(13) . . ?
C23A P1A C29A 108.7(19) . . ?
C23A P1A C35 123.0(12) . . ?
C23A P1A C35A 99.4(13) . . ?
C29 P1A Cu6 102.7(5) . . ?
C29 P1A C28 134.8(7) . . ?
C29A P1A Cu6 107.8(12) . . ?
C29A P1A C28 132.4(16) . . ?
C29A P1A C29 5.2(12) . . ?
C29A P1A C35 84.3(13) . . ?
C29A P1A C35A 105.2(14) . . ?
C35 P1A Cu6 104.1(5) . . ?
C35 P1A C28 120.4(6) . . ?
C35 P1A C29 86.4(4) . . ?
C35A P1A Cu6 112.5(8) . . ?
C35A P1A C28 93.5(8) . . ?
C35A P1A C29 108.5(8) . . ?
C35A P1A C35 27.0(7) . . ?
Cu14 P2 C36A 102.4(5) . . ?
P2A P2 Cu14 85.8(3) . . ?
P2A P2 C36 90.6(4) . . ?
P2A P2 C36A 49.5(7) . . ?
P2A P2 C37 39.5(4) . . ?
P2A P2 C43 146.4(4) . . ?
P2A P2 C43A 108.5(11) . . ?
P2A P2 C44A 143.6(11) . . ?
C36 P2 Cu14 109.01(17) . . ?
C36 P2 C36A 41.1(7) . . ?
C36 P2 C44A 111.8(10) . . ?
C37 P2 Cu14 114.79(17) . . ?
C37 P2 C36 104.5(2) . . ?
C37 P2 C36A 70.9(7) . . ?
C37 P2 C43 106.9(3) . . ?
C37 P2 C44A 105.2(10) . . ?
C43 P2 Cu14 117.2(2) . . ?
C43 P2 C36 103.1(2) . . ?
C43 P2 C36A 135.4(6) . . ?
C43 P2 C44A 8.9(11) . . ?
C43A P2 Cu14 150.3(9) . . ?
C43A P2 C36 97.0(8) . . ?
C43A P2 C36A 106.7(10) . . ?
C43A P2 C37 70.3(10) . . ?
C43A P2 C43 40.1(11) . . ?
C43A P2 C44A 43.0(8) . . ?
C44A P2 Cu14 111.4(9) . . ?
C44A P2 C36A 143.6(11) . . ?
P2 P2A Cu14 71.6(3) . . ?
P2 P2A C36 63.6(3) . . ?
P2 P2A C36A 109.1(9) . . ?
P2 P2A C37 113.8(6) . . ?
P2 P2A C37A 143.0(8) . . ?
P2 P2A C42 129.9(5) . . ?
P2 P2A C43A 44.2(7) . . ?
C36 P2A Cu14 97.8(3) . . ?
C36 P2A C42 155.4(4) . . ?
C36A P2A Cu14 114.4(7) . . ?
C36A P2A C36 45.5(8) . . ?
C36A P2A C42 116.3(9) . . ?
C37 P2A Cu14 141.2(4) . . ?
C37 P2A C36 119.4(4) . . ?
C37 P2A C36A 100.3(8) . . ?
C37 P2A C37A 37.8(8) . . ?
C37 P2A C42 39.4(3) . . ?
C37 P2A C43A 70.9(7) . . ?
C37A P2A Cu14 114.7(9) . . ?
C37A P2A C36 142.4(8) . . ?
C37A P2A C36A 101.1(11) . . ?
C37A P2A C42 15.2(7) . . ?
C37A P2A C43A 106.6(10) . . ?
C42 P2A Cu14 106.0(3) . . ?
C43A P2A Cu14 111.4(7) . . ?
C43A P2A C36 76.3(7) . . ?
C43A P2A C36A 107.9(9) . . ?
C43A P2A C42 100.0(7) . . ?
C49 P3 Cu13 112.1(5) . . ?
C49A P3 Cu13 116.4(9) . . ?
C49A P3 C55 102.1(8) . . ?
C49A P3 C61 104.7(9) . . ?
C55 P3 Cu13 119.18(15) . . ?
C55 P3 C49 108.7(5) . . ?
C55 P3 C61 102.07(18) . . ?
C61 P3 Cu13 110.50(13) . . ?
C61 P3 C49 102.5(6) . . ?
C62 P4 Cu10 110.44(13) . . ?
C62 P4 C63A 103.9(5) . . ?
C62 P4 C69 99.9(3) . . ?
C63 P4 Cu10 118.6(3) . . ?
C63 P4 C62 104.0(3) . . ?
C63 P4 C69 110.6(3) . . ?
C63A P4 Cu10 115.4(5) . . ?
C69 P4 Cu10 111.4(2) . . ?
C69A P4 Cu10 119.5(10) . . ?
C69A P4 C62 106.2(10) . . ?
C69A P4 C63A 99.7(10) . . ?
C78 O1 Cu3 123.7(2) . . ?
C78 O2 Cu1 120.7(2) . . ?
C80 O3 Cu9 125.6(3) . . ?
C80 O4 Cu11 120.6(3) . . ?
C76 O5 Cu5 123.2(3) . . ?
C76 O6 Cu2 120.8(3) . . ?
S2 C1 H1A 108.5 . . ?
S2 C1 H1B 108.5 . . ?
H1A C1 H1B 107.5 . . ?
C2 C1 S2 115.1(3) . . ?
C2 C1 H1A 108.5 . . ?
C2 C1 H1B 108.5 . . ?
C3 C2 C1 121.7(4) . . ?
C3 C2 C7 116.7(4) . . ?
C3A C2 C1 120.4(12) . . ?
C7 C2 C1 121.5(4) . . ?
C7A C2 C1 115.4(12) . . ?
C7A C2 C3A 123.4(17) . . ?
C2 C3 H3 119.1 . . ?
C2 C3 C4 121.9(4) . . ?
C4 C3 H3 119.1 . . ?
C2 C3A H3A 122.1 . . ?
C2 C3A C4A 116(2) . . ?
C4A C3A H3A 122.1 . . ?
C3 C4 H4 118.8 . . ?
C5 C4 C3 122.5(4) . . ?
C5 C4 H4 118.8 . . ?
C3A C4A H4A 116.6 . . ?
C5 C4A C3A 127(2) . . ?
C5 C4A H4A 116.6 . . ?
C4 C5 C6 116.7(4) . . ?
C4 C5 C8 123.2(4) . . ?
C4A C5 C6A 111.2(16) . . ?
C4A C5 C8 126.0(12) . . ?
C6 C5 C8 120.1(4) . . ?
C6A C5 C8 121.6(11) . . ?
C5 C6 H6 119.4 . . ?
C7 C6 C5 121.1(4) . . ?
C7 C6 H6 119.4 . . ?
C5 C6A H6A 119.2 . . ?
C5 C6A C7A 122(2) . . ?
C7A C6A H6A 119.2 . . ?
C2 C7 H7 119.5 . . ?
C6 C7 C2 121.1(4) . . ?
C6 C7 H7 119.5 . . ?
C2 C7A C6A 119(2) . . ?
C2 C7A H7A 120.3 . . ?
C6A C7A H7A 120.3 . . ?
C9 C8 C5 111.6(4) . . ?
C10 C8 C5 110.9(4) . . ?
C10 C8 C9 109.1(5) . . ?
C10 C8 C11 108.8(4) . . ?
C11 C8 C5 108.5(4) . . ?
C11 C8 C9 107.8(5) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
S1 C12 H12A 108.9 . . ?
S1 C12 H12B 108.9 . . ?
H12A C12 H12B 107.7 . . ?
C13 C12 S1 113.5(3) . . ?
C13 C12 H12A 108.9 . . ?
C13 C12 H12B 108.9 . . ?
C14 C13 C12 122.4(4) . . ?
C14 C13 C18 116.7(4) . . ?
C18 C13 C12 120.9(4) . . ?
C13 C14 H14 120.1 . . ?
C13 C14 C15 119.9(4) . . ?
C15 C14 H14 120.1 . . ?
C14 C15 H15 119.2 . . ?
C16 C15 C14 121.5(4) . . ?
C16 C15 H15 119.2 . . ?
C15 C16 C19 118.7(4) . . ?
C17 C16 C15 117.9(4) . . ?
C17 C16 C19 123.4(4) . . ?
C16 C17 H17 119.6 . . ?
C16 C17 C18 120.8(5) . . ?
C18 C17 H17 119.6 . . ?
C13 C18 H18 118.5 . . ?
C17 C18 C13 123.1(4) . . ?
C17 C18 H18 118.5 . . ?
C16 C19 C22 107.4(4) . . ?
C20 C19 C16 110.8(4) . . ?
C20 C19 C21 108.8(5) . . ?
C20 C19 C22 111.1(5) . . ?
C21 C19 C16 111.5(4) . . ?
C21 C19 C22 107.2(4) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
P1 C23 C28A 120.3(10) . . ?
P1A C23 P1 10.3(5) . . ?
P1A C23 C28A 110.4(11) . . ?
C23A C23 P1 126(4) . . ?
C23A C23 P1A 118(4) . . ?
C23A C23 C24 101(4) . . ?
C23A C23 C24A 79(4) . . ?
C23A C23 C28 33(4) . . ?
C23A C23 C28A 20(4) . . ?
C24 C23 P1 122.9(4) . . ?
C24 C23 P1A 133.2(6) . . ?
C24 C23 C24A 22.6(10) . . ?
C24 C23 C28A 114.9(10) . . ?
C24A C23 P1 141.8(13) . . ?
C24A C23 P1A 151.4(14) . . ?
C24A C23 C28A 92.8(14) . . ?
C28 C23 P1 117.6(4) . . ?
C28 C23 P1A 107.3(6) . . ?
C28 C23 C24 119.4(5) . . ?
C28 C23 C24A 98.8(12) . . ?
C28 C23 C28A 12.9(9) . . ?
P1A C23A P1 6.8(5) . . ?
P1A C23A C27 149(2) . . ?
C23 C23A P1 43(3) . . ?
C23 C23A P1A 47(3) . . ?
C23 C23A C24 60(4) . . ?
C23 C23A C24A 80(4) . . ?
C23 C23A C27 141(5) . . ?
C23 C23A C28 131(6) . . ?
C23 C23A C28A 152(5) . . ?
C24 C23A P1 97.4(15) . . ?
C24 C23A P1A 103.6(17) . . ?
C24 C23A C27 101.6(17) . . ?
C24A C23A P1 116(2) . . ?
C24A C23A P1A 123(2) . . ?
C24A C23A C24 20.1(12) . . ?
C24A C23A C27 84.8(18) . . ?
C27 C23A P1 155.9(18) . . ?
C28 C23A P1 116(2) . . ?
C28 C23A P1A 109(3) . . ?
C28 C23A C24 137(3) . . ?
C28 C23A C24A 124(3) . . ?
C28 C23A C27 40.3(14) . . ?
C28 C23A C28A 21.8(14) . . ?
C28A C23A P1 126(2) . . ?
C28A C23A P1A 120(2) . . ?
C28A C23A C24 136(2) . . ?
C28A C23A C24A 117(3) . . ?
C28A C23A C27 35.0(13) . . ?
C23 C24 C23A 18.4(11) . . ?
C23 C24 H24 120.0 . . ?
C23 C24 C25A 107.2(11) . . ?
C23A C24 H24 135.6 . . ?
C23A C24 C25A 89.8(15) . . ?
C24A C24 C23 79(4) . . ?
C24A C24 C23A 61(3) . . ?
C24A C24 H24 149.8 . . ?
C24A C24 C25 48(3) . . ?
C24A C24 C25A 32(3) . . ?
C25 C24 C23 120.0(5) . . ?
C25 C24 C23A 103.5(12) . . ?
C25 C24 H24 120.0 . . ?
C25 C24 C25A 15.5(10) . . ?
C25A C24 H24 131.8 . . ?
C23 C24A H24A 100.6 . . ?
C23 C24A C26 112.4(17) . . ?
C23A C24A C23 21.0(12) . . ?
C23A C24A H24A 119.9 . . ?
C23A C24A C26 95.5(19) . . ?
C24 C24A C23 78(4) . . ?
C24 C24A C23A 99(4) . . ?
C24 C24A H24A 29.2 . . ?
C24 C24A C25 110(4) . . ?
C24 C24A C25A 135(4) . . ?
C24 C24A C26 145(4) . . ?
C25 C24A C23 150(3) . . ?
C25 C24A C23A 139(3) . . ?
C25 C24A H24A 99.1 . . ?
C25 C24A C25A 24.6(13) . . ?
C25 C24A C26 44.4(11) . . ?
C25A C24A C23 139(2) . . ?
C25A C24A C23A 120(3) . . ?
C25A C24A H24A 119.9 . . ?
C25A C24A C26 26.4(14) . . ?
C26 C24A H24A 143.5 . . ?
C24 C25 H25 120.0 . . ?
C24 C25 C26A 122.0(9) . . ?
C24A C25 C24 21.8(13) . . ?
C24A C25 H25 136.9 . . ?
C24A C25 C26 101.4(15) . . ?
C24A C25 C26A 101.1(17) . . ?
C25A C25 C24 123(4) . . ?
C25A C25 C24A 101(4) . . ?
C25A C25 H25 107.8 . . ?
C25A C25 C26 32(4) . . ?
C25A C25 C26A 18(4) . . ?
C26 C25 C24 120.0(5) . . ?
C26 C25 H25 120.0 . . ?
C26 C25 C26A 13.7(8) . . ?
C26A C25 H25 116.2 . . ?
C24 C25A H25A 107.3 . . ?
C24A C25A C24 12.8(13) . . ?
C24A C25A H25A 118.8 . . ?
C24A C25A C26A 122(3) . . ?
C25 C25A C24 41(3) . . ?
C25 C25A C24A 54(3) . . ?
C25 C25A H25A 70.7 . . ?
C25 C25A C26 130(5) . . ?
C25 C25A C26A 155(5) . . ?
C26 C25A C24 121(3) . . ?
C26 C25A C24A 114(3) . . ?
C26 C25A H25A 120.9 . . ?
C26 C25A C26A 24.7(15) . . ?
C26A C25A C24 134(2) . . ?
C26A C25A H25A 118.8 . . ?
C24A C26 H26 151.8 . . ?
C25 C26 C24A 34.2(9) . . ?
C25 C26 H26 119.5 . . ?
C25 C26 C27 121.0(5) . . ?
C25 C26 C27A 133.4(10) . . ?
C25A C26 C24A 39(2) . . ?
C25A C26 C25 18.4(18) . . ?
C25A C26 H26 112.7 . . ?
C25A C26 C27 125(2) . . ?
C25A C26 C27A 128(2) . . ?
C26A C26 C24A 126(3) . . ?
C26A C26 C25 135(3) . . ?
C26A C26 C25A 117(4) . . ?
C26A C26 H26 59.9 . . ?
C26A C26 C27 77(3) . . ?
C26A C26 C27A 54(3) . . ?
C27 C26 C24A 87.7(9) . . ?
C27 C26 H26 119.5 . . ?
C27 C26 C27A 23.9(8) . . ?
C27A C26 C24A 99.7(13) . . ?
C27A C26 H26 103.3 . . ?
C25 C26A H26A 122.5 . . ?
C25A C26A C25 7.4(14) . . ?
C25A C26A H26A 120.5 . . ?
C25A C26A C27 98(2) . . ?
C25A C26A C27A 119(3) . . ?
C26 C26A C25 31(2) . . ?
C26 C26A C25A 38(3) . . ?
C26 C26A H26A 122.0 . . ?
C26 C26A C27 77(3) . . ?
C26 C26A C27A 104(3) . . ?
C27 C26A C25 93.6(15) . . ?
C27 C26A H26A 136.9 . . ?
C27A C26A C25 117(2) . . ?
C27A C26A H26A 120.5 . . ?
C27A C26A C27 28.1(11) . . ?
C23A C27 H27 146.5 . . ?
C26 C27 C23A 92.1(10) . . ?
C26 C27 C26A 26.1(10) . . ?
C26 C27 H27 120.7 . . ?
C26A C27 C23A 107.3(16) . . ?
C26A C27 H27 101.3 . . ?
C27A C27 C23A 119(3) . . ?
C27A C27 C26 99(2) . . ?
C27A C27 C26A 73(2) . . ?
C27A C27 H27 54.2 . . ?
C27A C27 C28 117(2) . . ?
C27A C27 C28A 92(3) . . ?
C28 C27 C23A 27.3(10) . . ?
C28 C27 C26 118.6(6) . . ?
C28 C27 C26A 134.3(13) . . ?
C28 C27 H27 120.7 . . ?
C28A C27 C23A 42.4(15) . . ?
C28A C27 C26 130.7(15) . . ?
C28A C27 C26A 133.5(19) . . ?
C28A C27 H27 104.5 . . ?
C28A C27 C28 24.6(12) . . ?
C26 C27A H27A 136.6 . . ?
C26 C27A C28 88.4(13) . . ?
C26A C27A C26 21.9(12) . . ?
C26A C27A H27A 120.2 . . ?
C26A C27A C28 108(2) . . ?
C26A C27A C28A 120(3) . . ?
C27 C27A C26 57.4(19) . . ?
C27 C27A C26A 79(3) . . ?
C27 C27A H27A 135.1 . . ?
C27 C27A C28 43.9(19) . . ?
C27 C27A C28A 58(2) . . ?
C28 C27A H27A 130.4 . . ?
C28A C27A C26 101.4(19) . . ?
C28A C27A H27A 120.2 . . ?
C28A C27A C28 14.9(11) . . ?
P1A C28 H28 81.7 . . ?
C23 C28 P1A 37.8(4) . . ?
C23 C28 C27 121.0(5) . . ?
C23 C28 C27A 128.3(9) . . ?
C23 C28 H28 119.5 . . ?
C23A C28 P1A 46.8(19) . . ?
C23A C28 C23 16.3(18) . . ?
C23A C28 C27 112(2) . . ?
C23A C28 C27A 115(2) . . ?
C23A C28 H28 126.0 . . ?
C27 C28 P1A 158.8(6) . . ?
C27 C28 C27A 19.6(7) . . ?
C27 C28 H28 119.5 . . ?
C27A C28 P1A 157.8(9) . . ?
C27A C28 H28 109.1 . . ?
C28A C28 P1A 133(3) . . ?
C28A C28 C23 136(3) . . ?
C28A C28 C23A 120(4) . . ?
C28A C28 C27 56(3) . . ?
C28A C28 C27A 37(3) . . ?
C28A C28 H28 80.9 . . ?
C23 C28A H28A 115.0 . . ?
C23A C28A C23 7.4(14) . . ?
C23A C28A H28A 119.5 . . ?
C27 C28A C23 104.0(18) . . ?
C27 C28A C23A 103(2) . . ?
C27 C28A C27A 29.3(11) . . ?
C27 C28A H28A 131.6 . . ?
C27A C28A C23 125(2) . . ?
C27A C28A C23A 121(2) . . ?
C27A C28A H28A 119.5 . . ?
C28 C28A C23 31(2) . . ?
C28 C28A C23A 39(3) . . ?
C28 C28A C27 99(3) . . ?
C28 C28A C27A 128(4) . . ?
C28 C28A H28A 99.4 . . ?
P1 C29 P1A 8.6(4) . . ?
C30 C29 P1 116.0(6) . . ?
C30 C29 P1A 114.4(7) . . ?
C30 C29 C34A 140.3(12) . . ?
C30A C29 P1 117(2) . . ?
C30A C29 P1A 116(2) . . ?
C30A C29 C30 2(3) . . ?
C30A C29 C34 119(2) . . ?
C30A C29 C34A 140(3) . . ?
C34 C29 P1 124.1(5) . . ?
C34 C29 P1A 125.3(6) . . ?
C34 C29 C30 119.9(6) . . ?
C34 C29 C34A 22.7(11) . . ?
C34A C29 P1 103.1(12) . . ?
C34A C29 P1A 103.2(12) . . ?
P1 C29A P1A 11.2(6) . . ?
P1 C29A C30 119.2(18) . . ?
P1 C29A C34 142(3) . . ?
C30 C29A P1A 119.5(16) . . ?
C30A C29A P1 122(2) . . ?
C30A C29A P1A 123(2) . . ?
C30A C29A C30 4(2) . . ?
C30A C29A C34 92(2) . . ?
C30A C29A C34A 112(3) . . ?
C34 C29A P1A 145(2) . . ?
C34 C29A C30 95.6(17) . . ?
C34A C29A P1 125(2) . . ?
C34A C29A P1A 125(2) . . ?
C34A C29A C30 115(2) . . ?
C34A C29A C34 20.7(12) . . ?
C29 C30 C29A 10.1(12) . . ?
C29 C30 H30 120.2 . . ?
C29A C30 H30 110.8 . . ?
C31 C30 C29 119.6(7) . . ?
C31 C30 C29A 128.9(11) . . ?
C31 C30 H30 120.2 . . ?
C31A C30 C29 103.4(13) . . ?
C31A C30 C29A 113.0(18) . . ?
C31A C30 H30 136.2 . . ?
C31A C30 C31 16.8(14) . . ?
C29 C30A C29A 12.1(16) . . ?
C29 C30A H30A 126.3 . . ?
C29 C30A C31 132(4) . . ?
C29 C30A C31A 118(4) . . ?
C29A C30A H30A 115.1 . . ?
C29A C30A C31 143(3) . . ?
C29A C30A C31A 130(3) . . ?
C31 C30A H30A 102.0 . . ?
C31A C30A H30A 115.1 . . ?
C31A C30A C31 14.1(14) . . ?
C30 C31 C30A 11.3(16) . . ?
C30 C31 H31 119.8 . . ?
C30 C31 C32A 104.8(12) . . ?
C30A C31 H31 130.9 . . ?
C30A C31 C32A 93.6(17) . . ?
C32 C31 C30 120.5(6) . . ?
C32 C31 C30A 109.3(15) . . ?
C32 C31 H31 119.8 . . ?
C32 C31 C32A 15.7(11) . . ?
C32A C31 H31 135.4 . . ?
C30 C31A C30A 14.0(16) . . ?
C30 C31A H31A 108.0 . . ?
C30 C31A C32A 130(3) . . ?
C30A C31A H31A 121.7 . . ?
C32 C31A C30 150(4) . . ?
C32 C31A C30A 138(3) . . ?
C32 C31A H31A 100.7 . . ?
C32 C31A C32A 21.2(12) . . ?
C32A C31A C30A 117(3) . . ?
C32A C31A H31A 121.7 . . ?
C31 C32 H32 119.9 . . ?
C31 C32 C33 120.1(6) . . ?
C31 C32 C33A 111.4(11) . . ?
C31A C32 C31 16.1(18) . . ?
C31A C32 H32 135.0 . . ?
C31A C32 C33 104.8(18) . . ?
C31A C32 C33A 96(2) . . ?
C32A C32 C31 119(4) . . ?
C32A C32 C31A 103(4) . . ?
C32A C32 H32 121.4 . . ?
C32A C32 C33 3(5) . . ?
C32A C32 C33A 8(5) . . ?
C33 C32 H32 119.9 . . ?
C33 C32 C33A 8.8(11) . . ?
C33A C32 H32 128.6 . . ?
C31 C32A H32A 112.9 . . ?
C31 C32A C34 98.8(17) . . ?
C31A C32A C31 10.6(16) . . ?
C31A C32A H32A 122.6 . . ?
C31A C32A C34 89(2) . . ?
C32 C32A C31 46(3) . . ?
C32 C32A C31A 56(4) . . ?
C32 C32A H32A 67.2 . . ?
C32 C32A C33 175(7) . . ?
C32 C32A C33A 169(6) . . ?
C32 C32A C34 144(5) . . ?
C33 C32A C31 137(3) . . ?
C33 C32A C31A 127(3) . . ?
C33 C32A H32A 110.3 . . ?
C33 C32A C33A 12.3(18) . . ?
C33 C32A C34 38.0(15) . . ?
C33A C32A C31 124(3) . . ?
C33A C32A C31A 115(3) . . ?
C33A C32A H32A 122.6 . . ?
C33A C32A C34 25.7(15) . . ?
C34 C32A H32A 148.3 . . ?
C32 C33 H33 120.0 . . ?
C32 C33 C34A 124.9(11) . . ?
C32A C33 C32 2(3) . . ?
C32A C33 H33 120.9 . . ?
C32A C33 C34 119(2) . . ?
C32A C33 C34A 124(2) . . ?
C33A C33 C32 149(4) . . ?
C33A C33 C32A 148(5) . . ?
C33A C33 H33 90.8 . . ?
C33A C33 C34 29(4) . . ?
C33A C33 C34A 24(4) . . ?
C34 C33 C32 120.1(6) . . ?
C34 C33 H33 120.0 . . ?
C34 C33 C34A 8.0(11) . . ?
C34A C33 H33 114.8 . . ?
C32 C33A H33A 119.3 . . ?
C32A C33A C32 3.1(17) . . ?
C32A C33A H33A 116.5 . . ?
C32A C33A C34A 127(3) . . ?
C33 C33A C32 22(3) . . ?
C33 C33A C32A 19(3) . . ?
C33 C33A H33A 97.0 . . ?
C33 C33A C34 133(6) . . ?
C33 C33A C34A 146(5) . . ?
C34 C33A C32 112(3) . . ?
C34 C33A C32A 114(3) . . ?
C34 C33A H33A 128.3 . . ?
C34 C33A C34A 15.5(17) . . ?
C34A C33A C32 124(2) . . ?
C34A C33A H33A 116.5 . . ?
C29 C34 C29A 15.2(13) . . ?
C29 C34 C32A 96.9(9) . . ?
C29 C34 H34 120.1 . . ?
C29A C34 C32A 111.5(15) . . ?
C29A C34 H34 105.5 . . ?
C32A C34 H34 143.0 . . ?
C33 C34 C29 119.8(6) . . ?
C33 C34 C29A 134.2(14) . . ?
C33 C34 C32A 22.9(9) . . ?
C33 C34 H34 120.1 . . ?
C33A C34 C29 137(2) . . ?
C33A C34 C29A 150(3) . . ?
C33A C34 C32A 40.0(18) . . ?
C33A C34 C33 17(2) . . ?
C33A C34 H34 103.2 . . ?
C34A C34 C29 80(3) . . ?
C34A C34 C29A 65(3) . . ?
C34A C34 C32A 159(4) . . ?
C34A C34 C33 151(4) . . ?
C34A C34 C33A 137(5) . . ?
C34A C34 H34 45.9 . . ?
C29 C34A C33 92.8(15) . . ?
C29 C34A H34A 137.4 . . ?
C29A C34A C29 17.1(14) . . ?
C29A C34A C33 109.7(19) . . ?
C29A C34A H34A 120.5 . . ?
C33 C34A H34A 129.8 . . ?
C33A C34A C29 102(2) . . ?
C33A C34A C29A 119(3) . . ?
C33A C34A C33 9.5(14) . . ?
C33A C34A H34A 120.5 . . ?
C34 C34A C29 78(3) . . ?
C34 C34A C29A 95(4) . . ?
C34 C34A C33 21(3) . . ?
C34 C34A C33A 27(3) . . ?
C34 C34A H34A 142.6 . . ?
P1 C35 P1A 12.5(3) . . ?
P1 C35 H35A 108.7 . . ?
P1 C35 H35B 108.7 . . ?
P1A C35 H35A 110.9 . . ?
P1A C35 H35B 118.2 . . ?
H35A C35 H35B 107.6 . . ?
C35A C35 P1 78.4(12) . . ?
C35A C35 P1A 66.0(12) . . ?
C35A C35 H35A 98.0 . . ?
C35A C35 H35B 148.7 . . ?
C35A C35 C36 44.3(12) . . ?
C36 C35 P1 114.0(4) . . ?
C36 C35 P1A 102.2(5) . . ?
C36 C35 H35A 108.7 . . ?
C36 C35 H35B 108.7 . . ?
C36A C35 P1 159.2(17) . . ?
C36A C35 P1A 163.5(16) . . ?
C36A C35 H35A 85.4 . . ?
C36A C35 H35B 51.2 . . ?
C36A C35 C35A 116(2) . . ?
C36A C35 C36 73.6(18) . . ?
P1 C35A H35C 118.7 . . ?
P1 C35A H35D 111.4 . . ?
P1A C35A P1 14.1(3) . . ?
P1A C35A H35C 108.4 . . ?
P1A C35A H35D 108.4 . . ?
C35 C35A P1 73.0(12) . . ?
C35 C35A P1A 87.0(13) . . ?
C35 C35A H35C 130.4 . . ?
C35 C35A H35D 111.7 . . ?
C35 C35A C36 99.7(18) . . ?
C35 C35A C36A 30.2(12) . . ?
H35C C35A H35D 107.5 . . ?
C36 C35A P1 144.0(14) . . ?
C36 C35A P1A 141.7(15) . . ?
C36 C35A H35C 40.8 . . ?
C36 C35A H35D 104.0 . . ?
C36 C35A C36A 71.3(14) . . ?
C36A C35A P1 102.0(14) . . ?
C36A C35A P1A 115.5(15) . . ?
C36A C35A H35C 108.4 . . ?
C36A C35A H35D 108.4 . . ?
P2 C36 P2A 25.74(18) . . ?
P2 C36 H36A 109.2 . . ?
P2 C36 H36B 109.2 . . ?
P2A C36 H36A 113.7 . . ?
P2A C36 H36B 126.7 . . ?
C35 C36 P2 112.3(3) . . ?
C35 C36 P2A 87.4(4) . . ?
C35 C36 H36A 109.2 . . ?
C35 C36 H36B 109.2 . . ?
C35A C36 P2 145.8(12) . . ?
C35A C36 P2A 122.8(12) . . ?
C35A C36 C35 36.0(11) . . ?
C35A C36 H36A 97.5 . . ?
C35A C36 H36B 81.4 . . ?
C35A C36 C36A 66.1(14) . . ?
H36A C36 H36B 107.9 . . ?
C36A C36 P2 86.4(10) . . ?
C36A C36 P2A 60.6(10) . . ?
C36A C36 C35 31.1(9) . . ?
C36A C36 H36A 104.0 . . ?
C36A C36 H36B 136.8 . . ?
P2 C36A H36C 124.1 . . ?
P2 C36A H36D 112.6 . . ?
P2A C36A P2 21.4(3) . . ?
P2A C36A H36C 108.9 . . ?
P2A C36A H36D 108.8 . . ?
C35 C36A P2 119(2) . . ?
C35 C36A P2A 135(2) . . ?
C35 C36A C35A 34.2(15) . . ?
C35 C36A C36 75(2) . . ?
C35 C36A H36C 75.7 . . ?
C35 C36A H36D 112.2 . . ?
C35A C36A P2 93.1(13) . . ?
C35A C36A P2A 113.6(16) . . ?
C35A C36A C36 42.6(10) . . ?
C35A C36A H36C 108.9 . . ?
C35A C36A H36D 108.8 . . ?
C36 C36A P2 52.5(7) . . ?
C36 C36A P2A 73.9(10) . . ?
C36 C36A H36C 139.2 . . ?
C36 C36A H36D 109.6 . . ?
H36C C36A H36D 107.7 . . ?
P2 C37 C43A 43.2(6) . . ?
P2A C37 P2 26.7(3) . . ?
P2A C37 C42A 137.9(10) . . ?
P2A C37 C38 128.9(5) . . ?
P2A C37 C42 104.8(5) . . ?
P2A C37 C43A 69.3(7) . . ?
C37A C37 P2 121.1(11) . . ?
C37A C37 P2A 98.9(11) . . ?
C37A C37 C42A 55.4(8) . . ?
C37A C37 C38 109.2(13) . . ?
C37A C37 C42 24.5(11) . . ?
C37A C37 C43A 156.9(14) . . ?
C42A C37 P2 136.6(8) . . ?
C42A C37 C43A 120.4(9) . . ?
C38 C37 P2 123.1(4) . . ?
C38 C37 C42A 92.8(9) . . ?
C38 C37 C43A 93.3(6) . . ?
C42 C37 P2 118.3(4) . . ?
C42 C37 C42A 38.0(8) . . ?
C42 C37 C38 118.4(5) . . ?
C42 C37 C43A 137.1(8) . . ?
C37 C37A P2A 43.3(5) . . ?
C37 C37A C38A 145.5(16) . . ?
C37 C37A C42A 82.6(14) . . ?
C37 C37A C41 126.6(18) . . ?
C38A C37A P2A 123.0(12) . . ?
C38A C37A C42A 120.0 . . ?
C38A C37A C41 70.0(6) . . ?
C42A C37A P2A 117.0(12) . . ?
C42A C37A C41 50.0(6) . . ?
C41 C37A P2A 167.1(15) . . ?
C42 C37A P2A 110(2) . . ?
C42 C37A C37 102(3) . . ?
C42 C37A C38A 112(2) . . ?
C42 C37A C42A 42(2) . . ?
C42 C37A C41 61.2(14) . . ?
C37A C38A H38A 120.0 . . ?
C37A C38A C41 60.0(5) . . ?
C37A C38A C42 18.5(8) . . ?
C39A C38A C37A 120.0 . . ?
C39A C38A H38A 120.0 . . ?
C39A C38A C41 60.0(5) . . ?
C39A C38A C42 106.5(6) . . ?
C41 C38A H38A 179.3 . . ?
C42 C38A H38A 131.7 . . ?
C42 C38A C41 48.1(5) . . ?
C38A C39A H39A 120.0 . . ?
C38A C39A C41 70.0(5) . . ?
C40A C39A C38A 120.0 . . ?
C40A C39A H39A 120.0 . . ?
C40A C39A C41 50.0(5) . . ?
C41 C39A H39A 170.0 . . ?
C39A C40A H40A 120.0 . . ?
C39A C40A C41A 120.0 . . ?
C39A C40A C40 84.8(9) . . ?
C41A C40A H40A 120.0 . . ?
C41A C40A C40 62.2(8) . . ?
C40 C40A H40A 123.9 . . ?
C41 C40A C39A 72.4(7) . . ?
C41 C40A H40A 167.5 . . ?
C41 C40A C41A 47.6(7) . . ?
C41 C40A C40 54.7(8) . . ?
C40A C41A H41A 120.0 . . ?
C40A C41A C40 66.9(9) . . ?
C42A C41A C40A 120.0 . . ?
C42A C41A H41A 120.0 . . ?
C42A C41A C40 81.9(9) . . ?
C40 C41A H41A 122.2 . . ?
C41 C41A C40A 60.0(8) . . ?
C41 C41A H41A 178.8 . . ?
C41 C41A C42A 60.0(8) . . ?
C41 C41A C40 58.9(10) . . ?
C37 C42A H42A 81.9 . . ?
C37 C42A C40 99.5(11) . . ?
C37A C42A C37 42.0(9) . . ?
C37A C42A H42A 120.0 . . ?
C37A C42A C40 85.6(7) . . ?
C41A C42A C37 152.1(11) . . ?
C41A C42A C37A 120.0 . . ?
C41A C42A H42A 120.0 . . ?
C41A C42A C40 53.4(7) . . ?
C40 C42A H42A 132.3 . . ?
C41 C42A C37 110.2(13) . . ?
C41 C42A C37A 72.4(7) . . ?
C41 C42A C41A 47.6(7) . . ?
C41 C42A H42A 167.5 . . ?
C41 C42A C40 44.7(8) . . ?
C42 C42A C37 55.0(9) . . ?
C42 C42A C37A 22.0(13) . . ?
C42 C42A C41A 117.9(10) . . ?
C42 C42A H42A 117.4 . . ?
C42 C42A C40 100.7(12) . . ?
C42 C42A C41 73.6(12) . . ?
C37 C38 H38 120.2 . . ?
C37 C38 C39 119.6(6) . . ?
C37 C38 C48A 85.9(6) . . ?
C39 C38 H38 120.2 . . ?
C39 C38 C48A 136.0(7) . . ?
C48A C38 H38 50.0 . . ?
C38 C39 H39 119.6 . . ?
C40 C39 C38 120.8(5) . . ?
C40 C39 H39 119.6 . . ?
C40A C40 C42A 83.4(8) . . ?
C40A C40 H40 71.5 . . ?
C41A C40 C40A 50.9(7) . . ?
C41A C40 C42A 44.8(5) . . ?
C41A C40 H40 100.9 . . ?
C42A C40 H40 145.6 . . ?
C39 C40 C40A 168.6(8) . . ?
C39 C40 C41A 123.8(9) . . ?
C39 C40 C42A 86.9(8) . . ?
C39 C40 H40 119.8 . . ?
C39 C40 C41 120.4(6) . . ?
C41 C40 C40A 48.3(7) . . ?
C41 C40 C41A 41.9(7) . . ?
C41 C40 C42A 40.1(7) . . ?
C41 C40 H40 119.8 . . ?
C37A C41 C38A 50.0(4) . . ?
C37A C41 H41 133.5 . . ?
C38A C41 H41 104.4 . . ?
C39A C41 C37A 100.1(9) . . ?
C39A C41 C38A 50.0(5) . . ?
C39A C41 H41 68.8 . . ?
C40A C41 C37A 157.6(13) . . ?
C40A C41 C38A 107.6(10) . . ?
C40A C41 C39A 57.5(6) . . ?
C40A C41 C42A 144.8(14) . . ?
C40A C41 C40 77.0(12) . . ?
C40A C41 H41 44.5 . . ?
C40A C41 C42 163.8(13) . . ?
C41A C41 C37A 129.9(13) . . ?
C41A C41 C38A 178.1(16) . . ?
C41A C41 C39A 130.0(12) . . ?
C41A C41 C40A 72.4(8) . . ?
C41A C41 C42A 72.4(10) . . ?
C41A C41 C40 79.2(14) . . ?
C41A C41 H41 77.0 . . ?
C41A C41 C42 114.8(12) . . ?
C42A C41 C37A 57.5(6) . . ?
C42A C41 C38A 107.5(9) . . ?
C42A C41 C39A 157.5(12) . . ?
C42A C41 C40 95.2(13) . . ?
C42A C41 H41 126.4 . . ?
C42A C41 C42 45.5(10) . . ?
C40 C41 C37A 102.8(11) . . ?
C40 C41 C38A 98.9(10) . . ?
C40 C41 C39A 88.1(10) . . ?
C40 C41 H41 121.0 . . ?
C40 C41 C42 118.0(7) . . ?
C42 C41 C37A 21.5(9) . . ?
C42 C41 C38A 65.7(8) . . ?
C42 C41 C39A 113.9(9) . . ?
C42 C41 H41 121.0 . . ?
P2A C42 H42 86.3 . . ?
C37 C42 P2A 35.8(3) . . ?
C37 C42 C38A 102.8(8) . . ?
C37 C42 C41 122.6(6) . . ?
C37 C42 H42 118.7 . . ?
C37A C42 P2A 55.0(16) . . ?
C37A C42 C37 54(2) . . ?
C37A C42 C38A 49.2(17) . . ?
C37A C42 C42A 116(3) . . ?
C37A C42 C41 97.3(18) . . ?
C37A C42 H42 118.9 . . ?
C38A C42 P2A 96.1(7) . . ?
C38A C42 H42 101.0 . . ?
C42A C42 P2A 119.3(11) . . ?
C42A C42 C37 87.1(12) . . ?
C42A C42 C38A 121.8(14) . . ?
C42A C42 C41 60.9(9) . . ?
C42A C42 H42 124.0 . . ?
C41 C42 P2A 150.8(6) . . ?
C41 C42 C38A 66.1(7) . . ?
C41 C42 H42 118.7 . . ?
C43A C43 P2 48.0(10) . . ?
C43A C43 C44 154.4(12) . . ?
C43A C43 C45A 120.3(13) . . ?
C43A C43 C48 79.9(11) . . ?
C44 C43 P2 118.2(5) . . ?
C44 C43 C45A 76.0(11) . . ?
C45A C43 P2 165.5(11) . . ?
C48 C43 P2 123.7(6) . . ?
C48 C43 C44 118.2(6) . . ?
C48 C43 C45A 42.2(9) . . ?
P2 C43A P2A 27.3(5) . . ?
P2 C43A C37 66.5(10) . . ?
P2 C43A C44A 95.3(16) . . ?
P2 C43A C48 140.5(14) . . ?
P2 C43A C48A 142(2) . . ?
P2A C43A C37 39.8(6) . . ?
C43 C43A P2 91.9(12) . . ?
C43 C43A P2A 118.2(12) . . ?
C43 C43A C37 147.7(14) . . ?
C43 C43A C44A 13.1(17) . . ?
C43 C43A C48 55.1(10) . . ?
C43 C43A C48A 120(2) . . ?
C44A C43A P2A 119.1(16) . . ?
C44A C43A C37 139.5(19) . . ?
C44A C43A C48 47.7(18) . . ?
C48 C43A P2A 152.8(12) . . ?
C48 C43A C37 129.6(12) . . ?
C48A C43A P2A 120.6(17) . . ?
C48A C43A C37 89.8(14) . . ?
C48A C43A C44A 120(3) . . ?
C48A C43A C48 77.0(14) . . ?
C43 C44 H44 119.4 . . ?
C43 C44 C44A 14.8(12) . . ?
C43 C44 C45A 56.2(11) . . ?
C44A C44 H44 126.0 . . ?
C44A C44 C45A 48.6(8) . . ?
C45 C44 C43 121.1(7) . . ?
C45 C44 H44 119.4 . . ?
C45 C44 C44A 112.9(12) . . ?
C45 C44 C45A 65.1(10) . . ?
C45A C44 H44 173.9 . . ?
P2 C44A H44A 79.6 . . ?
C43A C44A P2 41.7(10) . . ?
C43A C44A C44 127(3) . . ?
C43A C44A H44A 120.9 . . ?
C44 C44A P2 105.7(18) . . ?
C44 C44A H44A 64.2 . . ?
C45A C44A P2 159(2) . . ?
C45A C44A C43A 118(3) . . ?
C45A C44A C44 81.4(18) . . ?
C45A C44A H44A 120.9 . . ?
C48 C44A P2 116.6(18) . . ?
C48 C44A C43A 76(2) . . ?
C48 C44A C44 126(2) . . ?
C48 C44A H44A 152.1 . . ?
C48 C44A C45A 47.7(17) . . ?
C44 C45 H45 120.2 . . ?
C44 C45 C45A 70.0(10) . . ?
C44 C45 C46 119.6(7) . . ?
C45A C45 H45 169.6 . . ?
C46 C45 H45 120.2 . . ?
C46 C45 C45A 49.6(9) . . ?
C43 C45A C44 47.8(8) . . ?
C43 C45A C45 92.7(12) . . ?
C43 C45A H45A 127.0 . . ?
C44 C45A H45A 88.2 . . ?
C44A C45A C43 12.3(15) . . ?
C44A C45A C44 50.0(16) . . ?
C44A C45A C45 94.3(18) . . ?
C44A C45A H45A 118.8 . . ?
C44A C45A C46A 122(3) . . ?
C45 C45A C44 44.9(6) . . ?
C45 C45A H45A 54.4 . . ?
C46 C45A C43 143.1(19) . . ?
C46 C45A C44 95.8(15) . . ?
C46 C45A C44A 145(2) . . ?
C46 C45A C45 50.9(10) . . ?
C46 C45A H45A 40.3 . . ?
C46 C45A C46A 85.3(16) . . ?
C46A C45A C43 113(2) . . ?
C46A C45A C44 132.3(19) . . ?
C46A C45A C45 119.1(18) . . ?
C46A C45A H45A 118.8 . . ?
C47 C45A C43 148(3) . . ?
C47 C45A C44 162(3) . . ?
C47 C45A C44A 148(3) . . ?
C47 C45A C45 118(3) . . ?
C47 C45A H45A 81.8 . . ?
C47 C45A C46 67.0(19) . . ?
C47 C45A C46A 44.9(12) . . ?
C47 C45A C48 90(2) . . ?
C48 C45A C43 58.6(14) . . ?
C48 C45A C44 106.4(19) . . ?
C48 C45A C44A 59(2) . . ?
C48 C45A C45 151(2) . . ?
C48 C45A H45A 146.6 . . ?
C48 C45A C46 156(2) . . ?
C48 C45A C46A 73.2(17) . . ?
C45 C46 H46 120.0 . . ?
C45 C46 C46A 112.5(9) . . ?
C45A C46 C45 79.5(11) . . ?
C45A C46 H46 160.3 . . ?
C45A C46 C46A 47.8(7) . . ?
C46A C46 H46 118.8 . . ?
C47 C46 C45 119.9(7) . . ?
C47 C46 C45A 40.5(9) . . ?
C47 C46 H46 120.0 . . ?
C47 C46 C46A 30.1(7) . . ?
C45A C46A C46 46.8(14) . . ?
C45A C46A H46A 121.4 . . ?
C45A C46A C48 43.5(14) . . ?
C46 C46A H46A 76.3 . . ?
C47 C46A C45A 42.0(13) . . ?
C47 C46A C46 42.3(10) . . ?
C47 C46A H46A 88.6 . . ?
C47 C46A C47A 140(2) . . ?
C47 C46A C48 66.4(12) . . ?
C47A C46A C45A 117(2) . . ?
C47A C46A C46 158.5(18) . . ?
C47A C46A H46A 121.4 . . ?
C47A C46A C48 78.1(15) . . ?
C48 C46A C46 89.8(9) . . ?
C48 C46A H46A 153.4 . . ?
C45A C47 C46 72(2) . . ?
C45A C47 C46A 93.1(16) . . ?
C45A C47 H47 166.9 . . ?
C45A C47 C48 49.0(18) . . ?
C46 C47 H47 119.5 . . ?
C46 C47 C48 121.1(7) . . ?
C46A C47 C46 107.6(15) . . ?
C46A C47 H47 88.3 . . ?
C46A C47 C48 74.1(15) . . ?
C48 C47 H47 119.5 . . ?
C46A C47A H47A 118.9 . . ?
C46A C47A C48 53.8(12) . . ?
C46A C47A C48A 122(2) . . ?
C48 C47A H47A 160.6 . . ?
C48A C47A H47A 118.9 . . ?
C48A C47A C48 71.3(13) . . ?
C43 C48 C43A 45.1(8) . . ?
C43 C48 C46A 120.4(10) . . ?
C43 C48 C47 120.1(8) . . ?
C43 C48 C47A 114.5(8) . . ?
C43 C48 H48 120.0 . . ?
C43 C48 C48A 84.5(7) . . ?
C43A C48 C47A 87.8(8) . . ?
C43A C48 H48 77.2 . . ?
C43A C48 C48A 45.6(5) . . ?
C44A C48 C43 15.2(14) . . ?
C44A C48 C43A 55.9(8) . . ?
C44A C48 C46A 125.9(18) . . ?
C44A C48 C47 114.0(13) . . ?
C44A C48 C47A 129.4(17) . . ?
C44A C48 H48 124.1 . . ?
C44A C48 C48A 98.5(12) . . ?
C45A C48 C43 79.2(14) . . ?
C45A C48 C43A 122.3(16) . . ?
C45A C48 C44A 73.4(13) . . ?
C45A C48 C46A 63.4(10) . . ?
C45A C48 C47 41.1(12) . . ?
C45A C48 C47A 107.5(12) . . ?
C45A C48 H48 160.4 . . ?
C45A C48 C48A 134.4(15) . . ?
C46A C48 C43A 126.9(12) . . ?
C46A C48 C47A 48.1(6) . . ?
C46A C48 H48 105.5 . . ?
C46A C48 C48A 90.3(9) . . ?
C47 C48 C43A 158.0(10) . . ?
C47 C48 C46A 39.4(8) . . ?
C47 C48 C47A 86.1(7) . . ?
C47 C48 H48 120.0 . . ?
C47 C48 C48A 129.5(8) . . ?
C47A C48 H48 69.7 . . ?
C47A C48 C48A 43.8(5) . . ?
C48A C48 H48 57.3 . . ?
C38 C48A H48A 36.6 . . ?
C43A C48A C38 89.1(14) . . ?
C43A C48A C48 57.4(13) . . ?
C43A C48A H48A 120.3 . . ?
C47A C48A C38 145.5(16) . . ?
C47A C48A C43A 119(2) . . ?
C47A C48A C48 64.9(13) . . ?
C47A C48A H48A 120.3 . . ?
C48 C48A C38 129.3(10) . . ?
C48 C48A H48A 162.7 . . ?
C50 C49 P3 118.5(11) . . ?
C54 C49 P3 121.8(9) . . ?
C54 C49 C50 119.6(11) . . ?
C50A C49A P3 120.7(19) . . ?
C50A C49A C54A 118(2) . . ?
C54A C49A P3 121.0(14) . . ?
C49 C50 H50 119.5 . . ?
C51 C50 C49 121.0(10) . . ?
C51 C50 H50 119.5 . . ?
C49A C50A H50A 118.4 . . ?
C49A C50A C51A 123.2(16) . . ?
C51A C50A H50A 118.4 . . ?
C50 C51 H51 120.4 . . ?
C52 C51 C50 119.3(8) . . ?
C52 C51 H51 120.4 . . ?
C50A C51A H51A 121.2 . . ?
C52A C51A C50A 117.7(14) . . ?
C52A C51A H51A 121.2 . . ?
C51 C52 H52 119.7 . . ?
C53 C52 C51 120.6(8) . . ?
C53 C52 H52 119.7 . . ?
C51A C52A H52A 119.7 . . ?
C51A C52A C53A 120.5(14) . . ?
C53A C52A H52A 119.7 . . ?
C52 C53 H53 120.7 . . ?
C52 C53 C54 118.6(8) . . ?
C54 C53 H53 120.7 . . ?
C52A C53A H53A 119.8 . . ?
C54A C53A C52A 120.5(12) . . ?
C54A C53A H53A 119.8 . . ?
C49 C54 C53 120.4(9) . . ?
C49 C54 H54 119.8 . . ?
C53 C54 H54 119.8 . . ?
C49A C54A H54A 120.3 . . ?
C53A C54A C49A 119.3(14) . . ?
C53A C54A H54A 120.3 . . ?
C56 C55 P3 125.1(5) . . ?
C56 C55 C60 119.2(6) . . ?
C56A C55 P3 113.1(10) . . ?
C60 C55 P3 115.0(4) . . ?
C60A C55 P3 130.4(11) . . ?
C60A C55 C56A 116.4(15) . . ?
C55 C56 H56 119.1 . . ?
C55 C56 C57 121.7(8) . . ?
C57 C56 H56 119.1 . . ?
C55 C56A H56A 119.4 . . ?
C57A C56A C55 121(2) . . ?
C57A C56A H56A 119.4 . . ?
C56 C57 H57 120.6 . . ?
C58 C57 C56 118.8(7) . . ?
C58 C57 H57 120.6 . . ?
C56A C57A H57A 122.1 . . ?
C58A C57A C56A 116(2) . . ?
C58A C57A H57A 122.1 . . ?
C57 C58 H58 119.1 . . ?
C57 C58 C59 121.8(7) . . ?
C59 C58 H58 119.1 . . ?
C57A C58A H58A 118.4 . . ?
C59A C58A C57A 123(2) . . ?
C59A C58A H58A 118.4 . . ?
C58 C59 H59 121.0 . . ?
C60 C59 C58 118.1(8) . . ?
C60 C59 H59 121.0 . . ?
C58A C59A H59A 121.5 . . ?
C58A C59A C60A 117(2) . . ?
C60A C59A H59A 121.5 . . ?
C55 C60 H60 119.9 . . ?
C59 C60 C55 120.2(7) . . ?
C59 C60 H60 119.9 . . ?
C55 C60A C59A 126(2) . . ?
C55 C60A H60A 117.2 . . ?
C59A C60A H60A 117.2 . . ?
P3 C61 H61A 109.4 . . ?
P3 C61 H61B 109.4 . . ?
H61A C61 H61B 108.0 . . ?
C62 C61 P3 111.1(3) . . ?
C62 C61 H61A 109.4 . . ?
C62 C61 H61B 109.4 . . ?
P4 C62 H62A 108.7 . . ?
P4 C62 H62B 108.7 . . ?
C61 C62 P4 114.1(3) . . ?
C61 C62 H62A 108.7 . . ?
C61 C62 H62B 108.7 . . ?
H62A C62 H62B 107.6 . . ?
C64 C63 P4 120.5(5) . . ?
C64 C63 C68 118.4(6) . . ?
C68 C63 P4 121.1(6) . . ?
C68A C63A P4 125.5(8) . . ?
C68A C63A C64A 120.0 . . ?
C64A C63A P4 114.4(8) . . ?
C63A C68A H68A 120.0 . . ?
C67A C68A C63A 120.0 . . ?
C67A C68A H68A 120.0 . . ?
C68A C67A H67A 120.0 . . ?
C66A C67A C68A 120.0 . . ?
C66A C67A H67A 120.0 . . ?
C67A C66A H66A 120.0 . . ?
C67A C66A C65A 120.0 . . ?
C65A C66A H66A 120.0 . . ?
C66A C65A H65A 120.0 . . ?
C64A C65A C66A 120.0 . . ?
C64A C65A H65A 120.0 . . ?
C63A C64A H64A 120.0 . . ?
C65A C64A C63A 120.0 . . ?
C65A C64A H64A 120.0 . . ?
C63 C64 H64 119.0 . . ?
C63 C64 C65 121.9(6) . . ?
C65 C64 H64 119.0 . . ?
C64 C65 H65 120.1 . . ?
C66 C65 C64 119.8(7) . . ?
C66 C65 H65 120.1 . . ?
C65 C66 H66 120.0 . . ?
C65 C66 C67 120.0(7) . . ?
C67 C66 H66 120.0 . . ?
C66 C67 H67 119.2 . . ?
C66 C67 C68 121.6(6) . . ?
C68 C67 H67 119.2 . . ?
C63 C68 H68 120.9 . . ?
C67 C68 C63 118.2(7) . . ?
C67 C68 H68 120.9 . . ?
C70 C69 P4 117.9(5) . . ?
C74 C69 P4 124.5(6) . . ?
C74 C69 C70 117.6(7) . . ?
C70A C69A P4 110.0(18) . . ?
C70A C69A C74A 123(3) . . ?
C74A C69A P4 127(2) . . ?
C69 C70 H70 118.3 . . ?
C71 C70 C69 123.5(7) . . ?
C71 C70 H70 118.3 . . ?
C69A C70A H70A 117.7 . . ?
C69A C70A C71A 125(2) . . ?
C71A C70A H70A 117.7 . . ?
C70 C71 H71 121.6 . . ?
C70 C71 C72 116.8(8) . . ?
C72 C71 H71 121.6 . . ?
C70A C71A H71A 123.6 . . ?
C72A C71A C70A 113(2) . . ?
C72A C71A H71A 123.6 . . ?
C71 C72 H72 118.8 . . ?
C73 C72 C71 122.4(7) . . ?
C73 C72 H72 118.8 . . ?
C71A C72A H72A 118.2 . . ?
C71A C72A C73A 124(2) . . ?
C73A C72A H72A 118.2 . . ?
C72 C73 H73 120.3 . . ?
C72 C73 C74 119.4(8) . . ?
C74 C73 H73 120.3 . . ?
C72A C73A H73A 120.0 . . ?
C72A C73A C74A 120(2) . . ?
C74A C73A H73A 120.0 . . ?
C69 C74 C73 120.2(7) . . ?
C69 C74 H74 119.9 . . ?
C73 C74 H74 119.9 . . ?
C69A C74A C73A 115(2) . . ?
C69A C74A H74A 122.3 . . ?
C73A C74A H74A 122.3 . . ?
H75A C75 H75B 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C76 C75 H75A 109.5 . . ?
C76 C75 H75B 109.5 . . ?
C76 C75 H75C 109.5 . . ?
O5 C76 C75 117.0(4) . . ?
O6 C76 O5 126.6(4) . . ?
O6 C76 C75 116.4(4) . . ?
H77A C77 H77B 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C78 C77 H77A 109.5 . . ?
C78 C77 H77B 109.5 . . ?
C78 C77 H77C 109.5 . . ?
O1 C78 O2 127.2(3) . . ?
O1 C78 C77 116.8(3) . . ?
O2 C78 C77 116.1(3) . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C80 C79 H79A 109.5 . . ?
C80 C79 H79B 109.5 . . ?
C80 C79 H79C 109.5 . . ?
O3 C80 O4 128.6(4) . . ?
O3 C80 C79 117.0(3) . . ?
O4 C80 C79 114.3(4) . . ?

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
Cu1 S1 C12 C13 123.5(3) 3_666 . . . ?
Cu1 O2 C78 O1 -1.5(5) . . . . ?
Cu1 O2 C78 C77 178.2(3) . . . . ?
Cu2 O6 C76 O5 8.7(8) . . . . ?
Cu2 O6 C76 C75 -172.3(4) . . . . ?
Cu3 S2 C1 C2 174.1(3) . . . . ?
Cu3 O1 C78 O2 2.3(6) . . . . ?
Cu3 O1 C78 C77 -177.3(3) . . . . ?
Cu5 O5 C76 O6 -5.3(8) . . . . ?
Cu5 O5 C76 C75 175.7(4) . . . . ?
Cu6 S1 C12 C13 -29.0(4) . . . . ?
Cu6 P1 C23 P1A -22(3) . . . . ?
Cu6 P1 C23 C23A 17(6) . . . . ?
Cu6 P1 C23 C24 157.4(4) . . . . ?
Cu6 P1 C23 C24A 140.1(19) . . . . ?
Cu6 P1 C23 C28 -20.5(6) . . . . ?
Cu6 P1 C23 C28A -6.1(11) . . . . ?
Cu6 P1 C29 P1A -106(3) . . . . ?
Cu6 P1 C29 C30 -24.8(7) . . . . ?
Cu6 P1 C29 C30A -22(4) . . . . ?
Cu6 P1 C29 C34 152.9(5) . . . . ?
Cu6 P1 C29 C34A 162.4(14) . . . . ?
Cu6 P1 C29A P1A -110(3) . . . . ?
Cu6 P1 C29A C30 -16(4) . . . . ?
Cu6 P1 C29A C30A -12(5) . . . . ?
Cu6 P1 C29A C34 140(4) . . . . ?
Cu6 P1 C29A C34A 156(3) . . . . ?
Cu6 P1 C35 P1A 89(2) . . . . ?
Cu6 P1 C35 C35A 96.5(11) . . . . ?
Cu6 P1 C35 C36 69.6(4) . . . . ?
Cu6 P1 C35 C36A -38(5) . . . . ?
Cu6 P1 C35A P1A 78(2) . . . . ?
Cu6 P1 C35A C35 -94.7(11) . . . . ?
Cu6 P1 C35A C36 -12(3) . . . . ?
Cu6 P1 C35A C36A -86.3(12) . . . . ?
Cu6 P1A C23 P1 151(4) . . . . ?
Cu6 P1A C23 C23A 6(5) . . . . ?
Cu6 P1A C23 C24 150.0(7) . . . . ?
Cu6 P1A C23 C24A 127(3) . . . . ?
Cu6 P1A C23 C28 -28.0(13) . . . . ?
Cu6 P1A C23 C28A -14.8(16) . . . . ?
Cu6 P1A C23A P1 138(5) . . . . ?
Cu6 P1A C23A C23 -175(4) . . . . ?
Cu6 P1A C23A C24 161.8(10) . . . . ?
Cu6 P1A C23A C24A 155.5(19) . . . . ?
Cu6 P1A C23A C27 -54(4) . . . . ?
Cu6 P1A C23A C28 -47(3) . . . . ?
Cu6 P1A C23A C28A -26(3) . . . . ?
Cu6 P1A C29A P1 57(3) . . . . ?
Cu6 P1A C29A C30 -35(3) . . . . ?
Cu6 P1A C29A C30A -32(4) . . . . ?
Cu6 P1A C29A C34 142(5) . . . . ?
Cu6 P1A C29A C34A 151(3) . . . . ?
Cu6 P1A C35A P1 -83(2) . . . . ?
Cu6 P1A C35A C35 -76.5(12) . . . . ?
Cu6 P1A C35A C36 25(3) . . . . ?
Cu6 P1A C35A C36A -66.6(16) . . . . ?
Cu9 S1 C12 C13 52.4(3) 3_666 . . . ?
Cu9 O3 C80 O4 -5.2(6) . . . . ?
Cu9 O3 C80 C79 173.7(3) . . . . ?
Cu10 S1 C12 C13 -167.6(3) . . . . ?
Cu10 P4 C62 C61 60.5(3) . . . . ?
Cu10 P4 C63 C64 -1.0(6) . . . . ?
Cu10 P4 C63 C68 179.5(5) . . . . ?
Cu10 P4 C69 C70 48.5(6) . . . . ?
Cu10 P4 C69 C74 -129.6(6) . . . . ?
Cu10 P4 C69A C70A 47(3) . . . . ?
Cu10 P4 C69A C74A -136(2) . . . . ?
Cu11 S2 C1 C2 103.4(3) . . . . ?
Cu11 O4 C80 O3 -3.7(6) . . . . ?
Cu11 O4 C80 C79 177.3(3) . . . . ?
Cu13 S2 C1 C2 27.5(4) . . . . ?
Cu13 P3 C49 C50 60.5(13) . . . . ?
Cu13 P3 C49 C54 -116.1(13) . . . . ?
Cu13 P3 C49A C50A 56(2) . . . . ?
Cu13 P3 C49A C54A -124.7(17) . . . . ?
Cu13 P3 C55 C56 -162.0(4) . . . . ?
Cu13 P3 C55 C56A 173.8(9) . . . . ?
Cu13 P3 C55 C60 7.8(4) . . . . ?
Cu13 P3 C55 C60A -9.1(15) . . . . ?
Cu13 P3 C61 C62 75.4(3) . . . . ?
Cu14 S2 C1 C2 -114.4(3) . . . . ?
Cu14 P2 P2A C36 -109.01(17) . . . . ?
Cu14 P2 P2A C36A -110.2(7) . . . . ?
Cu14 P2 P2A C37 138.7(5) . . . . ?
Cu14 P2 P2A C37A 106.8(15) . . . . ?
Cu14 P2 P2A C42 95.7(5) . . . . ?
Cu14 P2 P2A C43A 153.4(9) . . . . ?
Cu14 P2 C36 P2A 85.7(3) . . . . ?
Cu14 P2 C36 C35 69.6(4) . . . . ?
Cu14 P2 C36 C35A 52(2) . . . . ?
Cu14 P2 C36 C36A 87.1(8) . . . . ?
Cu14 P2 C37 P2A -46.5(5) . . . . ?
Cu14 P2 C37 C37A -9.7(14) . . . . ?
Cu14 P2 C37 C42A 61.2(11) . . . . ?
Cu14 P2 C37 C38 -158.2(4) . . . . ?
Cu14 P2 C37 C42 18.4(6) . . . . ?
Cu14 P2 C37 C43A 148.3(9) . . . . ?
Cu14 P2 C43 C43A -155.0(13) . . . . ?
Cu14 P2 C43 C44 51.6(5) . . . . ?
Cu14 P2 C43 C45A -116(3) . . . . ?
Cu14 P2 C43 C48 -127.1(5) . . . . ?
Cu14 P2 C43A P2A -115.5(19) . . . . ?
Cu14 P2 C43A C37 -105.7(17) . . . . ?
Cu14 P2 C43A C43 49(3) . . . . ?
Cu14 P2 C43A C44A 37(3) . . . . ?
Cu14 P2 C43A C48 19(4) . . . . ?
Cu14 P2 C43A C48A -160.9(19) . . . . ?
Cu14 P2A C36A P2 -77.9(6) . . . . ?
Cu14 P2A C36A C35 -28(3) . . . . ?
Cu14 P2A C36A C35A -60.6(15) . . . . ?
Cu14 P2A C36A C36 -76.3(8) . . . . ?
Cu14 P2A C37 P2 89.9(8) . . . . ?
Cu14 P2A C37 C37A -58.9(15) . . . . ?
Cu14 P2A C37 C42A -12.1(15) . . . . ?
Cu14 P2A C37 C38 177.6(6) . . . . ?
Cu14 P2A C37 C42 -34.6(10) . . . . ?
Cu14 P2A C37 C43A 100.6(10) . . . . ?
Cu14 P2A C37A C37 143.9(9) . . . . ?
Cu14 P2A C37A C38A -78.2(14) . . . . ?
Cu14 P2A C37A C42A 102.6(12) . . . . ?
Cu14 P2A C37A C41 101(8) . . . . ?
Cu14 P2A C37A C42 58(3) . . . . ?
Cu14 P2A C43A P2 27.2(9) . . . . ?
Cu14 P2A C43A C37 -138.6(4) . . . . ?
Cu14 P2A C43A C43 10.0(17) . . . . ?
Cu14 P2A C43A C44A -5(2) . . . . ?
Cu14 P2A C43A C48 -58(3) . . . . ?
Cu14 P2A C43A C48A 176.9(15) . . . . ?
S1 C12 C13 C14 96.9(4) . . . . ?
S1 C12 C13 C18 -80.9(4) . . . . ?
S2 C1 C2 C3 94.2(4) . . . . ?
S2 C1 C2 C3A 44.0(14) . . . . ?
S2 C1 C2 C7 -87.6(4) . . . . ?
S2 C1 C2 C7A -146.0(12) . . . . ?
P1 C23 C23A P1A -7.3(11) . . . . ?
P1 C23 C23A C24 147(4) . . . . ?
P1 C23 C23A C24A 148(3) . . . . ?
P1 C23 C23A C27 -143(4) . . . . ?
P1 C23 C23A C28 -85(7) . . . . ?
P1 C23 C23A C28A -79(12) . . . . ?
P1 C23 C24 C23A -148(5) . . . . ?
P1 C23 C24 C24A -151(3) . . . . ?
P1 C23 C24 C25 -176.8(5) . . . . ?
P1 C23 C24 C25A -167.0(12) . . . . ?
P1 C23 C24A C23A -137(5) . . . . ?
P1 C23 C24A C24 40(5) . . . . ?
P1 C23 C24A C25 151(3) . . . . ?
P1 C23 C24A C25A -170(2) . . . . ?
P1 C23 C24A C26 -174.6(6) . . . . ?
P1 C23 C28 P1A -0.2(7) . . . . ?
P1 C23 C28 C23A 115(7) . . . . ?
P1 C23 C28 C27 176.9(5) . . . . ?
P1 C23 C28 C27A 154.8(10) . . . . ?
P1 C23 C28 C28A 105(4) . . . . ?
P1 C23 C28A C23A 114(11) . . . . ?
P1 C23 C28A C27 -166.6(11) . . . . ?
P1 C23 C28A C27A 170.8(17) . . . . ?
P1 C23 C28A C28 -82(4) . . . . ?
P1 C23A C24 C23 22(3) . . . . ?
P1 C23A C24 C24A -162(4) . . . . ?
P1 C23A C24 C25 176.9(8) . . . . ?
P1 C23A C24 C25A -175.8(13) . . . . ?
P1 C23A C24A C23 24(3) . . . . ?
P1 C23A C24A C24 21(4) . . . . ?
P1 C23A C24A C25 157(3) . . . . ?
P1 C23A C24A C25A 178(2) . . . . ?
P1 C23A C24A C26 168.6(15) . . . . ?
P1 C23A C28 P1A 0.7(6) . . . . ?
P1 C23A C28 C23 -49(6) . . . . ?
P1 C23A C28 C27 -174.0(10) . . . . ?
P1 C23A C28 C27A 164.8(12) . . . . ?
P1 C23A C28 C28A 123(4) . . . . ?
P1 C23A C28A C23 -56(10) . . . . ?
P1 C23A C28A C27 -158(2) . . . . ?
P1 C23A C28A C27A 177.4(19) . . . . ?
P1 C23A C28A C28 -68(4) . . . . ?
P1 C29 C30 C29A -24(9) . . . . ?
P1 C29 C30 C31 177.7(7) . . . . ?
P1 C29 C30 C31A 173(3) . . . . ?
P1 C29 C30A C29A -24(10) . . . . ?
P1 C29 C30A C31 -179(4) . . . . ?
P1 C29 C30A C31A 175(3) . . . . ?
P1 C29 C34 C29A 19(7) . . . . ?
P1 C29 C34 C32A -176.8(13) . . . . ?
P1 C29 C34 C33 -178.0(6) . . . . ?
P1 C29 C34 C33A 178(3) . . . . ?
P1 C29 C34 C34A 25(4) . . . . ?
P1 C29 C34A C29A 15(7) . . . . ?
P1 C29 C34A C33 -173.5(8) . . . . ?
P1 C29 C34A C33A -171.6(18) . . . . ?
P1 C29 C34A C34 -159(3) . . . . ?
P1 C29A C30 C29 148(12) . . . . ?
P1 C29A C30 C31 172.9(18) . . . . ?
P1 C29A C30 C31A 166(3) . . . . ?
P1 C29A C30A C29 148(13) . . . . ?
P1 C29A C30A C31 179(5) . . . . ?
P1 C29A C30A C31A 170(4) . . . . ?
P1 C29A C34 C29 -147(12) . . . . ?
P1 C29A C34 C32A -164(4) . . . . ?
P1 C29A C34 C33 -167(3) . . . . ?
P1 C29A C34 C33A -177(5) . . . . ?
P1 C29A C34 C34A 39(6) . . . . ?
P1 C29A C34A C29 -157(10) . . . . ?
P1 C29A C34A C33 -166(3) . . . . ?
P1 C29A C34A C33A -165(3) . . . . ?
P1 C29A C34A C34 -152(5) . . . . ?
P1 C35 C35A P1A -1.8(6) . . . . ?
P1 C35 C35A C36 -143.8(13) . . . . ?
P1 C35 C35A C36A -163.6(19) . . . . ?
P1 C35 C36 P2 -123.6(4) . . . . ?
P1 C35 C36 P2A -130.5(3) . . . . ?
P1 C35 C36 C35A 39.3(16) . . . . ?
P1 C35 C36 C36A -159.3(17) . . . . ?
P1 C35 C36A P2 85(5) . . . . ?
P1 C35 C36A P2A 66(7) . . . . ?
P1 C35 C36A C35A 129(6) . . . . ?
P1 C35 C36A C36 115(5) . . . . ?
P1 C35A C36 P2 -45(4) . . . . ?
P1 C35A C36 P2A -62(3) . . . . ?
P1 C35A C36 C35 -74(3) . . . . ?
P1 C35A C36 C36A -85(3) . . . . ?
P1 C35A C36A P2 126.8(8) . . . . ?
P1 C35A C36A P2A 120.6(11) . . . . ?
P1 C35A C36A C35 -16.0(18) . . . . ?
P1 C35A C36A C36 143.3(14) . . . . ?
P1A C23 C23A P1 7.3(11) . . . . ?
P1A C23 C23A C24 154(4) . . . . ?
P1A C23 C23A C24A 155(3) . . . . ?
P1A C23 C23A C27 -136(5) . . . . ?
P1A C23 C23A C28 -78(7) . . . . ?
P1A C23 C23A C28A -72(12) . . . . ?
P1A C23 C24 C23A -148(5) . . . . ?
P1A C23 C24 C24A -151(4) . . . . ?
P1A C23 C24 C25 -176.6(9) . . . . ?
P1A C23 C24 C25A -166.8(14) . . . . ?
P1A C23 C24A C23A -130(5) . . . . ?
P1A C23 C24A C24 47(5) . . . . ?
P1A C23 C24A C25 158(3) . . . . ?
P1A C23 C24A C25A -164(2) . . . . ?
P1A C23 C24A C26 -168.0(16) . . . . ?
P1A C23 C28 C23A 115(7) . . . . ?
P1A C23 C28 C27 177.2(7) . . . . ?
P1A C23 C28 C27A 155.0(12) . . . . ?
P1A C23 C28 C28A 106(5) . . . . ?
P1A C23 C28A C23A 116(11) . . . . ?
P1A C23 C28A C27 -163.7(14) . . . . ?
P1A C23 C28A C27A 173.7(19) . . . . ?
P1A C23 C28A C28 -79(5) . . . . ?
P1A C23A C24 C23 19(3) . . . . ?
P1A C23A C24 C24A -164(4) . . . . ?
P1A C23A C24 C25 174.2(12) . . . . ?
P1A C23A C24 C25A -178.5(16) . . . . ?
P1A C23A C24A C23 21(3) . . . . ?
P1A C23A C24A C24 18(5) . . . . ?
P1A C23A C24A C25 155(3) . . . . ?
P1A C23A C24A C25A 176(2) . . . . ?
P1A C23A C24A C26 166(2) . . . . ?
P1A C23A C28 C23 -50(6) . . . . ?
P1A C23A C28 C27 -174.7(10) . . . . ?
P1A C23A C28 C27A 164.1(12) . . . . ?
P1A C23A C28 C28A 123(4) . . . . ?
P1A C23A C28A C23 -54(10) . . . . ?
P1A C23A C28A C27 -155(2) . . . . ?
P1A C23A C28A C27A 180(2) . . . . ?
P1A C23A C28A C28 -66(4) . . . . ?
P1A C28 C28A C23 54(3) . . . . ?
P1A C28 C28A C23A 57(3) . . . . ?
P1A C28 C28A C27 155.2(17) . . . . ?
P1A C28 C28A C27A 150(2) . . . . ?
P1A C29 C30 C29A -15(9) . . . . ?
P1A C29 C30 C31 -172.9(8) . . . . ?
P1A C29 C30 C31A -178(3) . . . . ?
P1A C29 C30A C29A -14(10) . . . . ?
P1A C29 C30A C31 -170(4) . . . . ?
P1A C29 C30A C31A -176(3) . . . . ?
P1A C29 C34 C29A 8(7) . . . . ?
P1A C29 C34 C32A 172.8(13) . . . . ?
P1A C29 C34 C33 171.7(7) . . . . ?
P1A C29 C34 C33A 167(3) . . . . ?
P1A C29 C34 C34A 14(4) . . . . ?
P1A C29 C34A C29A 6(7) . . . . ?
P1A C29 C34A C33 177.7(8) . . . . ?
P1A C29 C34A C33A 179.5(18) . . . . ?
P1A C29 C34A C34 -168(3) . . . . ?
P1A C29A C30 C29 161(12) . . . . ?
P1A C29A C30 C31 -174.3(15) . . . . ?
P1A C29A C30 C31A 179(3) . . . . ?
P1A C29A C30A C29 161(13) . . . . ?
P1A C29A C30A C31 -168(5) . . . . ?
P1A C29A C30A C31A -177(4) . . . . ?
P1A C29A C34 C29 -165(12) . . . . ?
P1A C29A C34 C32A 178(4) . . . . ?
P1A C29A C34 C33 174(3) . . . . ?
P1A C29A C34 C33A 165(5) . . . . ?
P1A C29A C34 C34A 21(7) . . . . ?
P1A C29A C34A C29 -171(10) . . . . ?
P1A C29A C34A C33 180(3) . . . . ?
P1A C29A C34A C33A -179(3) . . . . ?
P1A C29A C34A C34 -165(5) . . . . ?
P1A C35 C35A P1 1.8(6) . . . . ?
P1A C35 C35A C36 -142.0(16) . . . . ?
P1A C35 C35A C36A -161.9(18) . . . . ?
P1A C35 C36 P2 -127.8(5) . . . . ?
P1A C35 C36 P2A -134.8(5) . . . . ?
P1A C35 C36 C35A 35.1(16) . . . . ?
P1A C35 C36 C36A -163.5(17) . . . . ?
P1A C35 C36A P2 48(8) . . . . ?
P1A C35 C36A P2A 29(9) . . . . ?
P1A C35 C36A C35A 92(7) . . . . ?
P1A C35 C36A C36 77(7) . . . . ?
P1A C35A C36 P2 -69(4) . . . . ?
P1A C35A C36 P2A -85(3) . . . . ?
P1A C35A C36 C35 -97(3) . . . . ?
P1A C35A C36 C36A -108(3) . . . . ?
P1A C35A C36A P2 122.7(11) . . . . ?
P1A C35A C36A P2A 116.4(14) . . . . ?
P1A C35A C36A C35 -20(2) . . . . ?
P1A C35A C36A C36 139.1(16) . . . . ?
P2 P2A C36A C35 50(3) . . . . ?
P2 P2A C36A C35A 17.3(16) . . . . ?
P2 P2A C36A C36 1.5(9) . . . . ?
P2 P2A C37 C37A -148.7(13) . . . . ?
P2 P2A C37 C42A -102.0(11) . . . . ?
P2 P2A C37 C38 87.7(8) . . . . ?
P2 P2A C37 C42 -124.5(6) . . . . ?
P2 P2A C37 C43A 10.8(7) . . . . ?
P2 P2A C37A C37 52(2) . . . . ?
P2 P2A C37A C38A -169.9(11) . . . . ?
P2 P2A C37A C42A 11(2) . . . . ?
P2 P2A C37A C41 10(9) . . . . ?
P2 P2A C37A C42 -34(4) . . . . ?
P2 P2A C43A C37 -165.8(10) . . . . ?
P2 P2A C43A C43 -17.1(10) . . . . ?
P2 P2A C43A C44A -32(2) . . . . ?
P2 P2A C43A C48 -85(3) . . . . ?
P2 P2A C43A C48A 150(2) . . . . ?
P2 C36 C36A P2A -0.7(4) . . . . ?
P2 C36 C36A C35 -147.2(14) . . . . ?
P2 C36 C36A C35A -159.1(11) . . . . ?
P2 C37 C37A P2A -15.8(6) . . . . ?
P2 C37 C37A C38A -98(2) . . . . ?
P2 C37 C37A C42A 127.9(9) . . . . ?
P2 C37 C37A C41 153.4(14) . . . . ?
P2 C37 C37A C42 91(2) . . . . ?
P2 C37 C42A C37A -100.6(15) . . . . ?
P2 C37 C42A C41A -161(2) . . . . ?
P2 C37 C42A C40 -173.0(5) . . . . ?
P2 C37 C42A C41 -127.9(12) . . . . ?
P2 C37 C42A C42 -76.6(11) . . . . ?
P2 C37 C38 C39 175.8(5) . . . . ?
P2 C37 C38 C48A -42.2(7) . . . . ?
P2 C37 C42 P2A -24.9(3) . . . . ?
P2 C37 C42 C37A -104(3) . . . . ?
P2 C37 C42 C38A -107.5(8) . . . . ?
P2 C37 C42 C42A 130.5(12) . . . . ?
P2 C37 C42 C41 -177.1(5) . . . . ?
P2 C37 C43A P2A 7.0(5) . . . . ?
P2 C37 C43A C43 -52(3) . . . . ?
P2 C37 C43A C44A -69(3) . . . . ?
P2 C37 C43A C48 -137.2(17) . . . . ?
P2 C37 C43A C48A 150.0(17) . . . . ?
P2 C43 C43A P2A 7.8(4) . . . . ?
P2 C43 C43A C37 46(2) . . . . ?
P2 C43 C43A C44A 105(7) . . . . ?
P2 C43 C43A C48 156.7(11) . . . . ?
P2 C43 C43A C48A -159(3) . . . . ?
P2 C43 C44 C44A -122(6) . . . . ?
P2 C43 C44 C45 178.3(5) . . . . ?
P2 C43 C44 C45A -176.8(9) . . . . ?
P2 C43 C45A C44 169(3) . . . . ?
P2 C43 C45A C44A 74(8) . . . . ?
P2 C43 C45A C45 172(3) . . . . ?
P2 C43 C45A C46 180(100) . . . . ?
P2 C43 C45A C46A -65(4) . . . . ?
P2 C43 C45A C47 -25(7) . . . . ?
P2 C43 C45A C48 -14(4) . . . . ?
P2 C43 C48 C43A -20.6(10) . . . . ?
P2 C43 C48 C44A 110(6) . . . . ?
P2 C43 C48 C45A 175.8(12) . . . . ?
P2 C43 C48 C46A -134.1(11) . . . . ?
P2 C43 C48 C47 180.0(6) . . . . ?
P2 C43 C48 C47A -79.8(9) . . . . ?
P2 C43 C48 C48A -47.0(8) . . . . ?
P2 C43A C44A C44 71(3) . . . . ?
P2 C43A C44A C45A 172(3) . . . . ?
P2 C43A C44A C48 -164.6(17) . . . . ?
P2 C43A C48 C43 38.4(19) . . . . ?
P2 C43A C48 C44A 25(3) . . . . ?
P2 C43A C48 C45A 58(3) . . . . ?
P2 C43A C48 C46A 137(2) . . . . ?
P2 C43A C48 C47 93(3) . . . . ?
P2 C43A C48 C47A 167(3) . . . . ?
P2 C43A C48 C48A -180(3) . . . . ?
P2 C43A C48A C38 40(3) . . . . ?
P2 C43A C48A C47A -160(3) . . . . ?
P2 C43A C48A C48 180(3) . . . . ?
P2 C44A C45A C43 -37(4) . . . . ?
P2 C44A C45A C44 -112(8) . . . . ?
P2 C44A C45A C45 -120(7) . . . . ?
P2 C44A C45A C46 -128(6) . . . . ?
P2 C44A C45A C46A 9(9) . . . . ?
P2 C44A C45A C47 64(10) . . . . ?
P2 C44A C45A C48 48(7) . . . . ?
P2 C44A C48 C43 -52(5) . . . . ?
P2 C44A C48 C43A -11.4(12) . . . . ?
P2 C44A C48 C45A -163(3) . . . . ?
P2 C44A C48 C46A -125.2(18) . . . . ?
P2 C44A C48 C47 -169.0(13) . . . . ?
P2 C44A C48 C47A -63(3) . . . . ?
P2 C44A C48 C48A -29(2) . . . . ?
P2A P2 C36 C35 -16.2(5) . . . . ?
P2A P2 C36 C35A -34(2) . . . . ?
P2A P2 C36 C36A 1.4(9) . . . . ?
P2A P2 C37 C37A 36.8(14) . . . . ?
P2A P2 C37 C42A 107.7(12) . . . . ?
P2A P2 C37 C38 -111.7(7) . . . . ?
P2A P2 C37 C42 64.9(7) . . . . ?
P2A P2 C37 C43A -165.2(10) . . . . ?
P2A P2 C43 C43A -26.4(15) . . . . ?
P2A P2 C43 C44 -180(54) . . . . ?
P2A P2 C43 C45A 13(3) . . . . ?
P2A P2 C43 C48 1.4(10) . . . . ?
P2A P2 C43A C37 9.9(7) . . . . ?
P2A P2 C43A C43 164.9(9) . . . . ?
P2A P2 C43A C44A 152.3(17) . . . . ?
P2A P2 C43A C48 134(2) . . . . ?
P2A P2 C43A C48A -45(3) . . . . ?
P2A C36 C36A P2 0.7(4) . . . . ?
P2A C36 C36A C35 -146.5(17) . . . . ?
P2A C36 C36A C35A -158.4(13) . . . . ?
P2A C37 C37A C38A -82(2) . . . . ?
P2A C37 C37A C42A 143.7(8) . . . . ?
P2A C37 C37A C41 169.2(18) . . . . ?
P2A C37 C37A C42 106(2) . . . . ?
P2A C37 C42A C37A -60.9(13) . . . . ?
P2A C37 C42A C41A -121(3) . . . . ?
P2A C37 C42A C40 -133.3(11) . . . . ?
P2A C37 C42A C41 -88.2(19) . . . . ?
P2A C37 C42A C42 -36.9(16) . . . . ?
P2A C37 C38 C39 143.4(7) . . . . ?
P2A C37 C38 C48A -74.6(9) . . . . ?
P2A C37 C42 C37A -79(3) . . . . ?
P2A C37 C42 C38A -82.6(9) . . . . ?
P2A C37 C42 C42A 155.4(12) . . . . ?
P2A C37 C42 C41 -152.3(7) . . . . ?
P2A C37 C43A P2 -7.0(5) . . . . ?
P2A C37 C43A C43 -59(3) . . . . ?
P2A C37 C43A C44A -76(3) . . . . ?
P2A C37 C43A C48 -144.2(14) . . . . ?
P2A C37 C43A C48A 143.0(14) . . . . ?
P2A C37A C38A C39A -179.2(19) . . . . ?
P2A C37A C38A C41 180(2) . . . . ?
P2A C37A C38A C42 135(4) . . . . ?
P2A C37A C42A C37 27.1(6) . . . . ?
P2A C37A C42A C41A 179.3(18) . . . . ?
P2A C37A C42A C40 136.6(15) . . . . ?
P2A C37A C42A C41 -180(2) . . . . ?
P2A C37A C42A C42 -90(3) . . . . ?
P2A C37A C41 C38A -180(100) . . . . ?
P2A C37A C41 C39A 180(100) . . . . ?
P2A C37A C41 C40A 176(7) . . . . ?
P2A C37A C41 C41A 3(9) . . . . ?
P2A C37A C41 C42A 1(8) . . . . ?
P2A C37A C41 C40 89(8) . . . . ?
P2A C37A C41 C42 -48(6) . . . . ?
P2A C37A C42 C37 44.4(9) . . . . ?
P2A C37A C42 C38A -141(3) . . . . ?
P2A C37A C42 C42A 109(2) . . . . ?
P2A C37A C42 C41 169.8(14) . . . . ?
P2A C43A C44A P2 14.1(8) . . . . ?
P2A C43A C44A C44 85(3) . . . . ?
P2A C43A C44A C45A -174(2) . . . . ?
P2A C43A C44A C48 -150.5(16) . . . . ?
P2A C43A C48 C43 84(3) . . . . ?
P2A C43A C48 C44A 70(3) . . . . ?
P2A C43A C48 C45A 104(3) . . . . ?
P2A C43A C48 C46A -177(3) . . . . ?
P2A C43A C48 C47 139(3) . . . . ?
P2A C43A C48 C47A -147(3) . . . . ?
P2A C43A C48 C48A -134(4) . . . . ?
P2A C43A C48A C38 17.9(17) . . . . ?
P2A C43A C48A C47A 177.7(16) . . . . ?
P2A C43A C48A C48 157.5(18) . . . . ?
P3 C49 C50 C51 -173.5(10) . . . . ?
P3 C49 C54 C53 176.2(10) . . . . ?
P3 C49A C50A C51A -174.3(17) . . . . ?
P3 C49A C54A C53A 176.1(15) . . . . ?
P3 C55 C56 C57 173.6(5) . . . . ?
P3 C55 C56A C57A 173.0(16) . . . . ?
P3 C55 C60 C59 -174.1(5) . . . . ?
P3 C55 C60A C59A -169.5(16) . . . . ?
P3 C61 C62 P4 -121.1(3) . . . . ?
P4 C63 C64 C65 -177.6(6) . . . . ?
P4 C63 C68 C67 178.7(5) . . . . ?
P4 C63A C68A C67A 176.1(14) . . . . ?
P4 C63A C64A C65A -176.5(12) . . . . ?
P4 C69 C70 C71 179.3(6) . . . . ?
P4 C69 C74 C73 -179.1(6) . . . . ?
P4 C69A C70A C71A 175.0(19) . . . . ?
P4 C69A C74A C73A -178(2) . . . . ?
C1 C2 C3 C4 177.4(4) . . . . ?
C1 C2 C3A C4A 174.8(17) . . . . ?
C1 C2 C7 C6 -176.9(4) . . . . ?
C1 C2 C7A C6A -176.5(16) . . . . ?
C2 C3 C4 C5 -1.2(8) . . . . ?
C2 C3A C4A C5 7(4) . . . . ?
C3 C2 C7 C6 1.4(6) . . . . ?
C3 C4 C5 C6 2.6(8) . . . . ?
C3 C4 C5 C8 -177.5(5) . . . . ?
C3A C2 C7A C6A -7(3) . . . . ?
C3A C4A C5 C6A -15(3) . . . . ?
C3A C4A C5 C8 177(2) . . . . ?
C4 C5 C6 C7 -2.1(7) . . . . ?
C4 C5 C8 C9 -8.1(7) . . . . ?
C4 C5 C8 C10 -130.0(5) . . . . ?
C4 C5 C8 C11 110.5(5) . . . . ?
C4A C5 C6A C7A 13(3) . . . . ?
C4A C5 C8 C9 38.4(17) . . . . ?
C4A C5 C8 C10 -83.4(16) . . . . ?
C4A C5 C8 C11 157.1(16) . . . . ?
C5 C6 C7 C2 0.1(7) . . . . ?
C5 C6A C7A C2 -3(3) . . . . ?
C6 C5 C8 C9 171.7(5) . . . . ?
C6 C5 C8 C10 49.9(6) . . . . ?
C6 C5 C8 C11 -69.6(5) . . . . ?
C6A C5 C8 C9 -128.3(13) . . . . ?
C6A C5 C8 C10 109.9(13) . . . . ?
C6A C5 C8 C11 -9.6(13) . . . . ?
C7 C2 C3 C4 -0.9(7) . . . . ?
C7A C2 C3A C4A 6(3) . . . . ?
C8 C5 C6 C7 178.0(4) . . . . ?
C8 C5 C6A C7A -178.4(16) . . . . ?
C12 C13 C14 C15 -176.5(4) . . . . ?
C12 C13 C18 C17 176.7(4) . . . . ?
C13 C14 C15 C16 0.4(8) . . . . ?
C14 C13 C18 C17 -1.2(6) . . . . ?
C14 C15 C16 C17 -2.4(8) . . . . ?
C14 C15 C16 C19 179.0(5) . . . . ?
C15 C16 C17 C18 2.6(7) . . . . ?
C15 C16 C19 C20 -53.6(6) . . . . ?
C15 C16 C19 C21 -174.9(5) . . . . ?
C15 C16 C19 C22 67.9(6) . . . . ?
C16 C17 C18 C13 -0.8(7) . . . . ?
C17 C16 C19 C20 127.9(5) . . . . ?
C17 C16 C19 C21 6.5(6) . . . . ?
C17 C16 C19 C22 -110.6(5) . . . . ?
C18 C13 C14 C15 1.4(7) . . . . ?
C19 C16 C17 C18 -178.9(4) . . . . ?
C23 P1 C29 P1A 23(3) . . . . ?
C23 P1 C29 C30 104.7(7) . . . . ?
C23 P1 C29 C30A 107(4) . . . . ?
C23 P1 C29 C34 -77.6(7) . . . . ?
C23 P1 C29 C34A -68.1(15) . . . . ?
C23 P1 C29A P1A 19(3) . . . . ?
C23 P1 C29A C30 113(3) . . . . ?
C23 P1 C29A C30A 117(4) . . . . ?
C23 P1 C29A C34 -91(5) . . . . ?
C23 P1 C29A C34A -75(4) . . . . ?
C23 P1 C35 P1A -36(2) . . . . ?
C23 P1 C35 C35A -29.0(12) . . . . ?
C23 P1 C35 C36 -55.9(5) . . . . ?
C23 P1 C35 C36A -163(5) . . . . ?
C23 P1 C35A P1A -36(2) . . . . ?
C23 P1 C35A C35 151.5(11) . . . . ?
C23 P1 C35A C36 -126(3) . . . . ?
C23 P1 C35A C36A 159.8(13) . . . . ?
C23 P1A C23A P1 -47(7) . . . . ?
C23 P1A C23A C24 -23(4) . . . . ?
C23 P1A C23A C24A -29(4) . . . . ?
C23 P1A C23A C27 122(7) . . . . ?
C23 P1A C23A C28 128(6) . . . . ?
C23 P1A C23A C28A 149(7) . . . . ?
C23 P1A C29A P1 -156(4) . . . . ?
C23 P1A C29A C30 112(3) . . . . ?
C23 P1A C29A C30A 115(4) . . . . ?
C23 P1A C29A C34 -72(5) . . . . ?
C23 P1A C29A C34A -63(3) . . . . ?
C23 P1A C35A P1 135(2) . . . . ?
C23 P1A C35A C35 141.6(12) . . . . ?
C23 P1A C35A C36 -117(3) . . . . ?
C23 P1A C35A C36A 151.6(14) . . . . ?
C23 C23A C24 C24A 177(6) . . . . ?
C23 C23A C24 C25 155(4) . . . . ?
C23 C23A C24 C25A 162(4) . . . . ?
C23 C23A C24A C24 -3(5) . . . . ?
C23 C23A C24A C25 133(5) . . . . ?
C23 C23A C24A C25A 155(4) . . . . ?
C23 C23A C24A C26 145(4) . . . . ?
C23 C23A C28 P1A 50(6) . . . . ?
C23 C23A C28 C27 -125(7) . . . . ?
C23 C23A C28 C27A -146(6) . . . . ?
C23 C23A C28 C28A 172(6) . . . . ?
C23 C23A C28A C27 -102(11) . . . . ?
C23 C23A C28A C27A -127(11) . . . . ?
C23 C23A C28A C28 -13(10) . . . . ?
C23 C24 C24A C23A 1.1(18) . . . . ?
C23 C24 C24A C25 -150(3) . . . . ?
C23 C24 C24A C25A -151(6) . . . . ?
C23 C24 C24A C26 -113(7) . . . . ?
C23 C24 C25 C24A 35(4) . . . . ?
C23 C24 C25 C25A 37(5) . . . . ?
C23 C24 C25 C26 0.2(9) . . . . ?
C23 C24 C25 C26A 16.0(12) . . . . ?
C23 C24 C25A C24A 30(6) . . . . ?
C23 C24 C25A C25 -147(4) . . . . ?
C23 C24 C25A C26 -30(3) . . . . ?
C23 C24 C25A C26A -3(3) . . . . ?
C23 C24A C25 C24 -102(7) . . . . ?
C23 C24A C25 C25A 80(6) . . . . ?
C23 C24A C25 C26 48(5) . . . . ?
C23 C24A C25 C26A 62(5) . . . . ?
C23 C24A C25A C24 -135(8) . . . . ?
C23 C24A C25A C25 -132(5) . . . . ?
C23 C24A C25A C26 -9(5) . . . . ?
C23 C24A C25A C26A 18(5) . . . . ?
C23 C28 C28A C23A 3(3) . . . . ?
C23 C28 C28A C27 102(3) . . . . ?
C23 C28 C28A C27A 97(5) . . . . ?
C23A P1 C23 P1A -39(6) . . . . ?
C23A P1 C23 C24 140(6) . . . . ?
C23A P1 C23 C24A 123(6) . . . . ?
C23A P1 C23 C28 -38(5) . . . . ?
C23A P1 C23 C28A -23(5) . . . . ?
C23A P1 C29 P1A 13(3) . . . . ?
C23A P1 C29 C30 93.9(10) . . . . ?
C23A P1 C29 C30A 96(4) . . . . ?
C23A P1 C29 C34 -88.3(10) . . . . ?
C23A P1 C29 C34A -78.9(17) . . . . ?
C23A P1 C29A P1A 9(3) . . . . ?
C23A P1 C29A C30 103(3) . . . . ?
C23A P1 C29A C30A 107(4) . . . . ?
C23A P1 C29A C34 -101(5) . . . . ?
C23A P1 C29A C34A -85(4) . . . . ?
C23A P1 C35 P1A -29(2) . . . . ?
C23A P1 C35 C35A -21.3(15) . . . . ?
C23A P1 C35 C36 -48.2(10) . . . . ?
C23A P1 C35 C36A -156(5) . . . . ?
C23A P1 C35A P1A -27(2) . . . . ?
C23A P1 C35A C35 160.4(14) . . . . ?
C23A P1 C35A C36 -117(3) . . . . ?
C23A P1 C35A C36A 168.7(15) . . . . ?
C23A P1A C23 P1 145(6) . . . . ?
C23A P1A C23 C24 144(5) . . . . ?
C23A P1A C23 C24A 121(6) . . . . ?
C23A P1A C23 C28 -34(5) . . . . ?
C23A P1A C23 C28A -21(5) . . . . ?
C23A P1A C29A P1 -169(4) . . . . ?
C23A P1A C29A C30 99(3) . . . . ?
C23A P1A C29A C30A 102(4) . . . . ?
C23A P1A C29A C34 -84(5) . . . . ?
C23A P1A C29A C34A -75(4) . . . . ?
C23A P1A C35A P1 146(3) . . . . ?
C23A P1A C35A C35 153.0(16) . . . . ?
C23A P1A C35A C36 -105(3) . . . . ?
C23A P1A C35A C36A 163.0(17) . . . . ?
C23A C23 C24 C24A -3(5) . . . . ?
C23A C23 C24 C25 -28(4) . . . . ?
C23A C23 C24 C25A -19(4) . . . . ?
C23A C23 C24A C24 177(5) . . . . ?
C23A C23 C24A C25 -72(6) . . . . ?
C23A C23 C24A C25A -34(6) . . . . ?
C23A C23 C24A C26 -38(5) . . . . ?
C23A C23 C28 P1A -115(7) . . . . ?
C23A C23 C28 C27 62(7) . . . . ?
C23A C23 C28 C27A 40(7) . . . . ?
C23A C23 C28 C28A -10(8) . . . . ?
C23A C23 C28A C27 80(11) . . . . ?
C23A C23 C28A C27A 57(11) . . . . ?
C23A C23 C28A C28 165(12) . . . . ?
C23A C24 C24A C23 -1.1(18) . . . . ?
C23A C24 C24A C25 -151(4) . . . . ?
C23A C24 C24A C25A -152(7) . . . . ?
C23A C24 C24A C26 -114(7) . . . . ?
C23A C24 C25 C24A 26(4) . . . . ?
C23A C24 C25 C25A 28(5) . . . . ?
C23A C24 C25 C26 -8.7(14) . . . . ?
C23A C24 C25 C26A 7.2(15) . . . . ?
C23A C24 C25A C24A 24(6) . . . . ?
C23A C24 C25A C25 -152(4) . . . . ?
C23A C24 C25A C26 -36(3) . . . . ?
C23A C24 C25A C26A -9(3) . . . . ?
C23A C24A C25 C24 -134(7) . . . . ?
C23A C24A C25 C25A 49(6) . . . . ?
C23A C24A C25 C26 17(4) . . . . ?
C23A C24A C25 C26A 30(4) . . . . ?
C23A C24A C25A C24 -148(8) . . . . ?
C23A C24A C25A C25 -145(4) . . . . ?
C23A C24A C25A C26 -22(4) . . . . ?
C23A C24A C25A C26A 5(4) . . . . ?
C23A C27 C27A C26 97(2) . . . . ?
C23A C27 C27A C26A 101(2) . . . . ?
C23A C27 C27A C28 -30.8(13) . . . . ?
C23A C27 C27A C28A -34.5(19) . . . . ?
C23A C27 C28 P1A -11(2) . . . . ?
C23A C27 C28 C23 -16(2) . . . . ?
C23A C27 C28 C27A 103(3) . . . . ?
C23A C27 C28 C28A 111(4) . . . . ?
C23A C27 C28A C23 -7.4(15) . . . . ?
C23A C27 C28A C27A 133(3) . . . . ?
C23A C27 C28A C28 -39(3) . . . . ?
C23A C28 C28A C23 -3(3) . . . . ?
C23A C28 C28A C27 98(3) . . . . ?
C23A C28 C28A C27A 93(5) . . . . ?
C24 C23 C23A P1 -147(4) . . . . ?
C24 C23 C23A P1A -154(4) . . . . ?
C24 C23 C23A C24A 1.2(19) . . . . ?
C24 C23 C23A C27 70(7) . . . . ?
C24 C23 C23A C28 128(5) . . . . ?
C24 C23 C23A C28A 134(10) . . . . ?
C24 C23 C24A C23A -177(5) . . . . ?
C24 C23 C24A C25 111(7) . . . . ?
C24 C23 C24A C25A 149(6) . . . . ?
C24 C23 C24A C26 145(4) . . . . ?
C24 C23 C28 P1A -178.3(9) . . . . ?
C24 C23 C28 C23A -63(7) . . . . ?
C24 C23 C28 C27 -1.1(8) . . . . ?
C24 C23 C28 C27A -23.3(12) . . . . ?
C24 C23 C28 C28A -73(5) . . . . ?
C24 C23 C28A C23A -51(11) . . . . ?
C24 C23 C28A C27 29(2) . . . . ?
C24 C23 C28A C27A 6(2) . . . . ?
C24 C23 C28A C28 114(4) . . . . ?
C24 C23A C24A C23 3(5) . . . . ?
C24 C23A C24A C25 137(7) . . . . ?
C24 C23A C24A C25A 158(5) . . . . ?
C24 C23A C24A C26 148(4) . . . . ?
C24 C23A C28 P1A 137(5) . . . . ?
C24 C23A C28 C23 88(7) . . . . ?
C24 C23A C28 C27 -38(4) . . . . ?
C24 C23A C28 C27A -59(4) . . . . ?
C24 C23A C28 C28A -100(5) . . . . ?
C24 C23A C28A C23 116(13) . . . . ?
C24 C23A C28A C27 14(4) . . . . ?
C24 C23A C28A C27A -11(4) . . . . ?
C24 C23A C28A C28 103(5) . . . . ?
C24 C24A C25 C25A -178(5) . . . . ?
C24 C24A C25 C26 150(4) . . . . ?
C24 C24A C25 C26A 164(4) . . . . ?
C24 C24A C25A C25 3(6) . . . . ?
C24 C24A C25A C26 126(6) . . . . ?
C24 C24A C25A C26A 153(6) . . . . ?
C24 C25 C25A C24A -1(2) . . . . ?
C24 C25 C25A C26 -94(6) . . . . ?
C24 C25 C25A C26A -92(11) . . . . ?
C24 C25 C26 C24A 12.3(16) . . . . ?
C24 C25 C26 C25A 105(7) . . . . ?
C24 C25 C26 C26A 102(4) . . . . ?
C24 C25 C26 C27 -1.7(9) . . . . ?
C24 C25 C26 C27A 24.1(15) . . . . ?
C24 C25 C26A C25A 99(11) . . . . ?
C24 C25 C26A C26 -86(4) . . . . ?
C24 C25 C26A C27 -29.6(16) . . . . ?
C24 C25 C26A C27A -13(2) . . . . ?
C24 C25A C26 C24A 12.1(15) . . . . ?
C24 C25A C26 C25 -51(5) . . . . ?
C24 C25A C26 C26A 127(3) . . . . ?
C24 C25A C26 C27 34(3) . . . . ?
C24 C25A C26 C27A 64(3) . . . . ?
C24 C25A C26A C25 -66(10) . . . . ?
C24 C25A C26A C26 -70(4) . . . . ?
C24 C25A C26A C27 -14(3) . . . . ?
C24 C25A C26A C27A 6(4) . . . . ?
C24A C23 C23A P1 -148(3) . . . . ?
C24A C23 C23A P1A -155(3) . . . . ?
C24A C23 C23A C24 -1.2(19) . . . . ?
C24A C23 C23A C27 69(7) . . . . ?
C24A C23 C23A C28 126(6) . . . . ?
C24A C23 C23A C28A 133(11) . . . . ?
C24A C23 C24 C23A 3(5) . . . . ?
C24A C23 C24 C25 -25(3) . . . . ?
C24A C23 C24 C25A -16(3) . . . . ?
C24A C23 C28 P1A -168.3(15) . . . . ?
C24A C23 C28 C23A -53(7) . . . . ?
C24A C23 C28 C27 8.9(13) . . . . ?
C24A C23 C28 C27A -13.3(15) . . . . ?
C24A C23 C28 C28A -63(5) . . . . ?
C24A C23 C28A C23A -46(11) . . . . ?
C24A C23 C28A C27 33(2) . . . . ?
C24A C23 C28A C27A 11(3) . . . . ?
C24A C23 C28A C28 119(4) . . . . ?
C24A C23A C24 C23 -177(6) . . . . ?
C24A C23A C24 C25 -22(4) . . . . ?
C24A C23A C24 C25A -14(4) . . . . ?
C24A C23A C28 P1A 157(4) . . . . ?
C24A C23A C28 C23 108(8) . . . . ?
C24A C23A C28 C27 -17(3) . . . . ?
C24A C23A C28 C27A -39(4) . . . . ?
C24A C23A C28 C28A -80(5) . . . . ?
C24A C23A C28A C23 125(12) . . . . ?
C24A C23A C28A C27 23(3) . . . . ?
C24A C23A C28A C27A -2(4) . . . . ?
C24A C23A C28A C28 113(5) . . . . ?
C24A C24 C25 C25A 3(6) . . . . ?
C24A C24 C25 C26 -34(5) . . . . ?
C24A C24 C25 C26A -18(4) . . . . ?
C24A C24 C25A C25 -176(8) . . . . ?
C24A C24 C25A C26 -60(7) . . . . ?
C24A C24 C25A C26A -32(7) . . . . ?
C24A C25 C25A C24 1(2) . . . . ?
C24A C25 C25A C26 -93(6) . . . . ?
C24A C25 C25A C26A -91(11) . . . . ?
C24A C25 C26 C25A 93(7) . . . . ?
C24A C25 C26 C26A 90(4) . . . . ?
C24A C25 C26 C27 -14.1(17) . . . . ?
C24A C25 C26 C27A 12(2) . . . . ?
C24A C25 C26A C25A 93(11) . . . . ?
C24A C25 C26A C26 -93(4) . . . . ?
C24A C25 C26A C27 -36(2) . . . . ?
C24A C25 C26A C27A -20(3) . . . . ?
C24A C25A C26 C25 -63(6) . . . . ?
C24A C25A C26 C26A 115(4) . . . . ?
C24A C25A C26 C27 22(3) . . . . ?
C24A C25A C26 C27A 51(4) . . . . ?
C24A C25A C26A C25 -74(11) . . . . ?
C24A C25A C26A C26 -78(4) . . . . ?
C24A C25A C26A C27 -22(3) . . . . ?
C24A C25A C26A C27A -2(4) . . . . ?
C24A C26 C26A C25 44(2) . . . . ?
C24A C26 C26A C25A 45(3) . . . . ?
C24A C26 C26A C27 -77(3) . . . . ?
C24A C26 C26A C27A -74(4) . . . . ?
C24A C26 C27 C23A 0.8(11) . . . . ?
C24A C26 C27 C26A 128(3) . . . . ?
C24A C26 C27 C27A 121(3) . . . . ?
C24A C26 C27 C28 -6.1(10) . . . . ?
C24A C26 C27 C28A 20.1(19) . . . . ?
C24A C26 C27A C26A 128(3) . . . . ?
C24A C26 C27A C27 -61(2) . . . . ?
C24A C26 C27A C28 -27.6(13) . . . . ?
C24A C26 C27A C28A -20.3(18) . . . . ?
C25 C24 C24A C23 150(3) . . . . ?
C25 C24 C24A C23A 151(4) . . . . ?
C25 C24 C24A C25A -1(3) . . . . ?
C25 C24 C24A C26 37(5) . . . . ?
C25 C24 C25A C24A 176(8) . . . . ?
C25 C24 C25A C26 117(6) . . . . ?
C25 C24 C25A C26A 144(7) . . . . ?
C25 C24A C25A C24 -3(6) . . . . ?
C25 C24A C25A C26 123(5) . . . . ?
C25 C24A C25A C26A 150(6) . . . . ?
C25 C25A C26 C24A 63(6) . . . . ?
C25 C25A C26 C26A 178(6) . . . . ?
C25 C25A C26 C27 85(6) . . . . ?
C25 C25A C26 C27A 114(6) . . . . ?
C25 C25A C26A C26 -4(10) . . . . ?
C25 C25A C26A C27 52(11) . . . . ?
C25 C25A C26A C27A 72(12) . . . . ?
C25 C26 C26A C25A 1(2) . . . . ?
C25 C26 C26A C27 -122(3) . . . . ?
C25 C26 C26A C27A -118(3) . . . . ?
C25 C26 C27 C23A 8.7(11) . . . . ?
C25 C26 C27 C26A 136(3) . . . . ?
C25 C26 C27 C27A 129(2) . . . . ?
C25 C26 C27 C28 1.8(9) . . . . ?
C25 C26 C27 C28A 28.0(19) . . . . ?
C25 C26 C27A C26A 122(3) . . . . ?
C25 C26 C27A C27 -67(3) . . . . ?
C25 C26 C27A C28 -34.3(16) . . . . ?
C25 C26 C27A C28A -27(2) . . . . ?
C25 C26A C27 C23A 30.6(15) . . . . ?
C25 C26A C27 C26 -25.9(18) . . . . ?
C25 C26A C27 C27A 147(2) . . . . ?
C25 C26A C27 C28 35.9(18) . . . . ?
C25 C26A C27 C28A 70(2) . . . . ?
C25 C26A C27A C26 -30(2) . . . . ?
C25 C26A C27A C27 -38(3) . . . . ?
C25 C26A C27A C28 -5(2) . . . . ?
C25 C26A C27A C28A 6(3) . . . . ?
C25A C24 C24A C23 151(6) . . . . ?
C25A C24 C24A C23A 152(7) . . . . ?
C25A C24 C24A C25 1(3) . . . . ?
C25A C24 C24A C26 39(5) . . . . ?
C25A C24 C25 C24A -3(6) . . . . ?
C25A C24 C25 C26 -37(4) . . . . ?
C25A C24 C25 C26A -21(4) . . . . ?
C25A C24A C25 C24 178(5) . . . . ?
C25A C24A C25 C26 -32(4) . . . . ?
C25A C24A C25 C26A -18(4) . . . . ?
C25A C25 C26 C24A -93(7) . . . . ?
C25A C25 C26 C26A -3(7) . . . . ?
C25A C25 C26 C27 -107(7) . . . . ?
C25A C25 C26 C27A -81(7) . . . . ?
C25A C25 C26A C26 175(12) . . . . ?
C25A C25 C26A C27 -129(11) . . . . ?
C25A C25 C26A C27A -112(11) . . . . ?
C25A C26 C26A C25 -1(2) . . . . ?
C25A C26 C26A C27 -123(3) . . . . ?
C25A C26 C26A C27A -119(3) . . . . ?
C25A C26 C27 C23A -13(2) . . . . ?
C25A C26 C27 C26A 114(4) . . . . ?
C25A C26 C27 C27A 107(3) . . . . ?
C25A C26 C27 C28 -20(2) . . . . ?
C25A C26 C27 C28A 6(3) . . . . ?
C25A C26 C27A C26A 98(4) . . . . ?
C25A C26 C27A C27 -91(3) . . . . ?
C25A C26 C27A C28 -58(3) . . . . ?
C25A C26 C27A C28A -50(3) . . . . ?
C25A C26A C27 C23A 25(2) . . . . ?
C25A C26A C27 C26 -32(2) . . . . ?
C25A C26A C27 C27A 141(3) . . . . ?
C25A C26A C27 C28 30(2) . . . . ?
C25A C26A C27 C28A 64(3) . . . . ?
C25A C26A C27A C26 -38(3) . . . . ?
C25A C26A C27A C27 -46(3) . . . . ?
C25A C26A C27A C28 -13(3) . . . . ?
C25A C26A C27A C28A -2(3) . . . . ?
C26 C24A C25 C24 -150(4) . . . . ?
C26 C24A C25 C25A 32(4) . . . . ?
C26 C24A C25 C26A 14.0(9) . . . . ?
C26 C24A C25A C24 -126(6) . . . . ?
C26 C24A C25A C25 -123(5) . . . . ?
C26 C24A C25A C26A 26.7(18) . . . . ?
C26 C25 C25A C24 94(6) . . . . ?
C26 C25 C25A C24A 93(6) . . . . ?
C26 C25 C25A C26A 2(5) . . . . ?
C26 C25 C26A C25A -175(12) . . . . ?
C26 C25 C26A C27 56(3) . . . . ?
C26 C25 C26A C27A 73(4) . . . . ?
C26 C25A C26A C25 4(10) . . . . ?
C26 C25A C26A C27 56(3) . . . . ?
C26 C25A C26A C27A 76(4) . . . . ?
C26 C26A C27 C23A 57(3) . . . . ?
C26 C26A C27 C27A 172(3) . . . . ?
C26 C26A C27 C28 62(3) . . . . ?
C26 C26A C27 C28A 96(3) . . . . ?
C26 C26A C27A C27 -8(3) . . . . ?
C26 C26A C27A C28 26(3) . . . . ?
C26 C26A C27A C28A 36(4) . . . . ?
C26 C27 C27A C26A 3.4(15) . . . . ?
C26 C27 C27A C28 -128.1(16) . . . . ?
C26 C27 C27A C28A -131.8(17) . . . . ?
C26 C27 C28 P1A 4.4(19) . . . . ?
C26 C27 C28 C23 -0.3(9) . . . . ?
C26 C27 C28 C23A 15(2) . . . . ?
C26 C27 C28 C27A 118(3) . . . . ?
C26 C27 C28 C28A 127(4) . . . . ?
C26 C27 C28A C23 -37(2) . . . . ?
C26 C27 C28A C23A -29(3) . . . . ?
C26 C27 C28A C27A 103(3) . . . . ?
C26 C27 C28A C28 -69(4) . . . . ?
C26 C27A C28 P1A 77(2) . . . . ?
C26 C27A C28 C23 33.2(14) . . . . ?
C26 C27A C28 C23A 45(2) . . . . ?
C26 C27A C28 C27 -42(2) . . . . ?
C26 C27A C28 C28A 151(5) . . . . ?
C26 C27A C28A C23 10(2) . . . . ?
C26 C27A C28A C23A 17(3) . . . . ?
C26 C27A C28A C27 -39.8(19) . . . . ?
C26 C27A C28A C28 -30(5) . . . . ?
C26A C25 C25A C24 92(11) . . . . ?
C26A C25 C25A C24A 91(11) . . . . ?
C26A C25 C25A C26 -2(5) . . . . ?
C26A C25 C26 C24A -90(4) . . . . ?
C26A C25 C26 C25A 3(7) . . . . ?
C26A C25 C26 C27 -104(4) . . . . ?
C26A C25 C26 C27A -78(4) . . . . ?
C26A C25A C26 C24A -115(4) . . . . ?
C26A C25A C26 C25 -178(6) . . . . ?
C26A C25A C26 C27 -93(4) . . . . ?
C26A C25A C26 C27A -64(3) . . . . ?
C26A C26 C27 C23A -127(3) . . . . ?
C26A C26 C27 C27A -7(3) . . . . ?
C26A C26 C27 C28 -134(3) . . . . ?
C26A C26 C27 C28A -108(3) . . . . ?
C26A C26 C27A C27 171(4) . . . . ?
C26A C26 C27A C28 -156(3) . . . . ?
C26A C26 C27A C28A -149(4) . . . . ?
C26A C27 C27A C26 -3.4(15) . . . . ?
C26A C27 C27A C28 -131.5(16) . . . . ?
C26A C27 C27A C28A -135(2) . . . . ?
C26A C27 C28 P1A -22(2) . . . . ?
C26A C27 C28 C23 -26.5(17) . . . . ?
C26A C27 C28 C23A -11(2) . . . . ?
C26A C27 C28 C27A 91(3) . . . . ?
C26A C27 C28 C28A 100(4) . . . . ?
C26A C27 C28A C23 -72(2) . . . . ?
C26A C27 C28A C23A -65(3) . . . . ?
C26A C27 C28A C27A 68(3) . . . . ?
C26A C27 C28A C28 -104(4) . . . . ?
C26A C27A C28 P1A 67(3) . . . . ?
C26A C27A C28 C23 24(2) . . . . ?
C26A C27A C28 C23A 35(3) . . . . ?
C26A C27A C28 C27 -51(2) . . . . ?
C26A C27A C28 C28A 142(5) . . . . ?
C26A C27A C28A C23 -3(3) . . . . ?
C26A C27A C28A C23A 4(3) . . . . ?
C26A C27A C28A C27 -53(3) . . . . ?
C26A C27A C28A C28 -43(6) . . . . ?
C27 C23A C24 C23 -143(5) . . . . ?
C27 C23A C24 C24A 33(4) . . . . ?
C27 C23A C24 C25 11.8(15) . . . . ?
C27 C23A C24 C25A 19.1(17) . . . . ?
C27 C23A C24A C23 -144(5) . . . . ?
C27 C23A C24A C24 -147(4) . . . . ?
C27 C23A C24A C25 -11(4) . . . . ?
C27 C23A C24A C25A 11(3) . . . . ?
C27 C23A C24A C26 0.8(11) . . . . ?
C27 C23A C28 P1A 174.7(10) . . . . ?
C27 C23A C28 C23 125(7) . . . . ?
C27 C23A C28 C27A -21.2(9) . . . . ?
C27 C23A C28 C28A -63(4) . . . . ?
C27 C23A C28A C23 102(11) . . . . ?
C27 C23A C28A C27A -24.8(14) . . . . ?
C27 C23A C28A C28 89(4) . . . . ?
C27 C26 C26A C25 122(3) . . . . ?
C27 C26 C26A C25A 123(3) . . . . ?
C27 C26 C26A C27A 3.7(16) . . . . ?
C27 C26 C27A C26A -171(4) . . . . ?
C27 C26 C27A C28 33.1(17) . . . . ?
C27 C26 C27A C28A 40(2) . . . . ?
C27 C26A C27A C26 8(3) . . . . ?
C27 C26A C27A C28 33.2(16) . . . . ?
C27 C26A C27A C28A 44(2) . . . . ?
C27 C27A C28 P1A 118(3) . . . . ?
C27 C27A C28 C23 75(3) . . . . ?
C27 C27A C28 C23A 86(3) . . . . ?
C27 C27A C28 C28A -168(6) . . . . ?
C27 C27A C28A C23 49(3) . . . . ?
C27 C27A C28A C23A 57(3) . . . . ?
C27 C27A C28A C28 10(5) . . . . ?
C27 C28 C28A C23 -102(3) . . . . ?
C27 C28 C28A C23A -98(3) . . . . ?
C27 C28 C28A C27A -5(2) . . . . ?
C27A C26 C26A C25 118(3) . . . . ?
C27A C26 C26A C25A 119(3) . . . . ?
C27A C26 C26A C27 -3.7(16) . . . . ?
C27A C26 C27 C23A -120(3) . . . . ?
C27A C26 C27 C26A 7(3) . . . . ?
C27A C26 C27 C28 -127(2) . . . . ?
C27A C26 C27 C28A -101(3) . . . . ?
C27A C26A C27 C23A -116(3) . . . . ?
C27A C26A C27 C26 -172(3) . . . . ?
C27A C26A C27 C28 -111(3) . . . . ?
C27A C26A C27 C28A -76(3) . . . . ?
C27A C27 C28 P1A -113(3) . . . . ?
C27A C27 C28 C23 -118(3) . . . . ?
C27A C27 C28 C23A -103(3) . . . . ?
C27A C27 C28 C28A 9(4) . . . . ?
C27A C27 C28A C23 -140(2) . . . . ?
C27A C27 C28A C23A -133(3) . . . . ?
C27A C27 C28A C28 -172(4) . . . . ?
C27A C28 C28A C23 -97(5) . . . . ?
C27A C28 C28A C23A -93(5) . . . . ?
C27A C28 C28A C27 5(2) . . . . ?
C28 P1A C23 P1 179(3) . . . . ?
C28 P1A C23 C23A 34(5) . . . . ?
C28 P1A C23 C24 178.0(11) . . . . ?
C28 P1A C23 C24A 155(3) . . . . ?
C28 P1A C23 C28A 13.2(10) . . . . ?
C28 P1A C23A P1 -175(4) . . . . ?
C28 P1A C23A C23 -128(6) . . . . ?
C28 P1A C23A C24 -151(4) . . . . ?
C28 P1A C23A C24A -158(4) . . . . ?
C28 P1A C23A C27 -6.7(13) . . . . ?
C28 P1A C23A C28A 21.1(15) . . . . ?
C28 P1A C29A P1 -173(4) . . . . ?
C28 P1A C29A C30 95(3) . . . . ?
C28 P1A C29A C30A 98(4) . . . . ?
C28 P1A C29A C34 -88(5) . . . . ?
C28 P1A C29A C34A -79(4) . . . . ?
C28 P1A C35A P1 169(2) . . . . ?
C28 P1A C35A C35 176.3(12) . . . . ?
C28 P1A C35A C36 -82(3) . . . . ?
C28 P1A C35A C36A -173.7(14) . . . . ?
C28 C23 C23A P1 85(7) . . . . ?
C28 C23 C23A P1A 78(7) . . . . ?
C28 C23 C23A C24 -128(5) . . . . ?
C28 C23 C23A C24A -126(6) . . . . ?
C28 C23 C23A C27 -58(6) . . . . ?
C28 C23 C23A C28A 6(5) . . . . ?
C28 C23 C24 C23A 30(4) . . . . ?
C28 C23 C24 C24A 27(4) . . . . ?
C28 C23 C24 C25 1.2(8) . . . . ?
C28 C23 C24 C25A 11.0(12) . . . . ?
C28 C23 C24A C23A 26(4) . . . . ?
C28 C23 C24A C24 -157(3) . . . . ?
C28 C23 C24A C25 -46(5) . . . . ?
C28 C23 C24A C25A -8(4) . . . . ?
C28 C23 C24A C26 -11.9(16) . . . . ?
C28 C23 C28A C23A -165(12) . . . . ?
C28 C23 C28A C27 -85(4) . . . . ?
C28 C23 C28A C27A -108(5) . . . . ?
C28 C23A C24 C23 -119(7) . . . . ?
C28 C23A C24 C24A 57(5) . . . . ?
C28 C23A C24 C25 36(4) . . . . ?
C28 C23A C24 C25A 43(4) . . . . ?
C28 C23A C24A C23 -133(6) . . . . ?
C28 C23A C24A C24 -136(5) . . . . ?
C28 C23A C24A C25 0(6) . . . . ?
C28 C23A C24A C25A 22(4) . . . . ?
C28 C23A C24A C26 12(3) . . . . ?
C28 C23A C28A C23 13(10) . . . . ?
C28 C23A C28A C27 -89(4) . . . . ?
C28 C23A C28A C27A -114(5) . . . . ?
C28 C27 C27A C26 128.1(16) . . . . ?
C28 C27 C27A C26A 131.5(16) . . . . ?
C28 C27 C27A C28A -3.7(17) . . . . ?
C28 C27 C28A C23 32(2) . . . . ?
C28 C27 C28A C23A 39(3) . . . . ?
C28 C27 C28A C27A 172(4) . . . . ?
C28 C27A C28A C23 39(4) . . . . ?
C28 C27A C28A C23A 47(4) . . . . ?
C28 C27A C28A C27 -10(5) . . . . ?
C28A C23 C23A P1 79(12) . . . . ?
C28A C23 C23A P1A 72(12) . . . . ?
C28A C23 C23A C24 -134(10) . . . . ?
C28A C23 C23A C24A -133(11) . . . . ?
C28A C23 C23A C27 -64(10) . . . . ?
C28A C23 C23A C28 -6(5) . . . . ?
C28A C23 C24 C23A 16(4) . . . . ?
C28A C23 C24 C24A 13(3) . . . . ?
C28A C23 C24 C25 -12.4(12) . . . . ?
C28A C23 C24 C25A -2.6(14) . . . . ?
C28A C23 C24A C23A 15(4) . . . . ?
C28A C23 C24A C24 -168(3) . . . . ?
C28A C23 C24A C25 -57(5) . . . . ?
C28A C23 C24A C25A -19(4) . . . . ?
C28A C23 C24A C26 -23.3(18) . . . . ?
C28A C23 C28 P1A -106(5) . . . . ?
C28A C23 C28 C23A 10(8) . . . . ?
C28A C23 C28 C27 71(4) . . . . ?
C28A C23 C28 C27A 49(4) . . . . ?
C28A C23A C24 C23 -151(7) . . . . ?
C28A C23A C24 C24A 25(5) . . . . ?
C28A C23A C24 C25 4(3) . . . . ?
C28A C23A C24 C25A 11(3) . . . . ?
C28A C23A C24A C23 -157(6) . . . . ?
C28A C23A C24A C24 -160(4) . . . . ?
C28A C23A C24A C25 -24(5) . . . . ?
C28A C23A C24A C25A -3(4) . . . . ?
C28A C23A C24A C26 -12(3) . . . . ?
C28A C23A C28 P1A -123(4) . . . . ?
C28A C23A C28 C23 -172(6) . . . . ?
C28A C23A C28 C27 63(4) . . . . ?
C28A C23A C28 C27A 41(4) . . . . ?
C28A C27 C27A C26 131.8(17) . . . . ?
C28A C27 C27A C26A 135(2) . . . . ?
C28A C27 C27A C28 3.7(17) . . . . ?
C28A C27 C28 P1A -122(4) . . . . ?
C28A C27 C28 C23 -127(4) . . . . ?
C28A C27 C28 C23A -111(4) . . . . ?
C28A C27 C28 C27A -9(4) . . . . ?
C28A C27A C28 P1A -74(5) . . . . ?
C28A C27A C28 C23 -118(5) . . . . ?
C28A C27A C28 C23A -106(6) . . . . ?
C28A C27A C28 C27 168(6) . . . . ?
C29 P1 C23 P1A -151(4) . . . . ?
C29 P1 C23 C23A -112(5) . . . . ?
C29 P1 C23 C24 28.4(6) . . . . ?
C29 P1 C23 C24A 11(2) . . . . ?
C29 P1 C23 C28 -149.6(5) . . . . ?
C29 P1 C23 C28A -135.2(11) . . . . ?
C29 P1 C29A P1A -129(14) . . . . ?
C29 P1 C29A C30 -34(12) . . . . ?
C29 P1 C29A C30A -31(11) . . . . ?
C29 P1 C29A C34 121(18) . . . . ?
C29 P1 C29A C34A 137(17) . . . . ?
C29 P1 C35 P1A -147(2) . . . . ?
C29 P1 C35 C35A -139.7(12) . . . . ?
C29 P1 C35 C36 -166.5(4) . . . . ?
C29 P1 C35 C36A 86(5) . . . . ?
C29 P1 C35A P1A -138(2) . . . . ?
C29 P1 C35A C35 49.4(13) . . . . ?
C29 P1 C35A C36 132(3) . . . . ?
C29 P1 C35A C36A 57.8(14) . . . . ?
C29 P1A C23 P1 24(3) . . . . ?
C29 P1A C23 C23A -121(5) . . . . ?
C29 P1A C23 C24 23.1(12) . . . . ?
C29 P1A C23 C24A 0(3) . . . . ?
C29 P1A C23 C28 -154.9(6) . . . . ?
C29 P1A C23 C28A -141.6(10) . . . . ?
C29 P1A C23A P1 17(4) . . . . ?
C29 P1A C23A C23 63(5) . . . . ?
C29 P1A C23A C24 40.2(19) . . . . ?
C29 P1A C23A C24A 34(3) . . . . ?
C29 P1A C23A C27 -175(3) . . . . ?
C29 P1A C23A C28 -168.6(19) . . . . ?
C29 P1A C23A C28A -147(2) . . . . ?
C29 P1A C29A P1 67(18) . . . . ?
C29 P1A C29A C30 -25(15) . . . . ?
C29 P1A C29A C30A -22(15) . . . . ?
C29 P1A C29A C34 152(22) . . . . ?
C29 P1A C29A C34A 161(20) . . . . ?
C29 P1A C35A P1 29.6(16) . . . . ?
C29 P1A C35A C35 36.5(13) . . . . ?
C29 P1A C35A C36 138(3) . . . . ?
C29 P1A C35A C36A 46.4(16) . . . . ?
C29 C30 C31 C30A -8(12) . . . . ?
C29 C30 C31 C32 -0.1(13) . . . . ?
C29 C30 C31 C32A -0.8(18) . . . . ?
C29 C30 C31A C30A -7(11) . . . . ?
C29 C30 C31A C32 19(10) . . . . ?
C29 C30 C31A C32A 9(6) . . . . ?
C29 C30A C31 C30 168(19) . . . . ?
C29 C30A C31 C32 -5(7) . . . . ?
C29 C30A C31 C32A -5(7) . . . . ?
C29 C30A C31A C30 170(16) . . . . ?
C29 C30A C31A C32 9(9) . . . . ?
C29 C30A C31A C32A 4(7) . . . . ?
C29 C34 C34A C29A -2(2) . . . . ?
C29 C34 C34A C33 136(7) . . . . ?
C29 C34 C34A C33A 153(5) . . . . ?
C29A P1 C23 P1A -155(4) . . . . ?
C29A P1 C23 C23A -116(6) . . . . ?
C29A P1 C23 C24 24.4(14) . . . . ?
C29A P1 C23 C24A 7(2) . . . . ?
C29A P1 C23 C28 -153.6(13) . . . . ?
C29A P1 C23 C28A -139.2(16) . . . . ?
C29A P1 C29 P1A 56(14) . . . . ?
C29A P1 C29 C30 138(14) . . . . ?
C29A P1 C29 C30A 140(15) . . . . ?
C29A P1 C29 C34 -44(14) . . . . ?
C29A P1 C29 C34A -35(13) . . . . ?
C29A P1 C35 P1A -140(3) . . . . ?
C29A P1 C35 C35A -132(2) . . . . ?
C29A P1 C35 C36 -159.3(16) . . . . ?
C29A P1 C35 C36A 93(5) . . . . ?
C29A P1 C35A P1A -131(3) . . . . ?
C29A P1 C35A C35 56(2) . . . . ?
C29A P1 C35A C36 139(3) . . . . ?
C29A P1 C35A C36A 65(2) . . . . ?
C29A P1A C23 P1 20(3) . . . . ?
C29A P1A C23 C23A -125(5) . . . . ?
C29A P1A C23 C24 19.4(16) . . . . ?
C29A P1A C23 C24A -3(3) . . . . ?
C29A P1A C23 C28 -158.5(12) . . . . ?
C29A P1A C23 C28A -145.3(15) . . . . ?
C29A P1A C23A P1 12(4) . . . . ?
C29A P1A C23A C23 59(5) . . . . ?
C29A P1A C23A C24 36(2) . . . . ?
C29A P1A C23A C24A 29(3) . . . . ?
C29A P1A C23A C27 -180(3) . . . . ?
C29A P1A C23A C28 -173(2) . . . . ?
C29A P1A C23A C28A -152(2) . . . . ?
C29A P1A C35A P1 34(2) . . . . ?
C29A P1A C35A C35 40.6(19) . . . . ?
C29A P1A C35A C36 142(3) . . . . ?
C29A P1A C35A C36A 51(2) . . . . ?
C29A C30 C31 C30A -12(12) . . . . ?
C29A C30 C31 C32 -5(2) . . . . ?
C29A C30 C31 C32A -6(2) . . . . ?
C29A C30 C31A C30A -10(11) . . . . ?
C29A C30 C31A C32 16(11) . . . . ?
C29A C30 C31A C32A 6(6) . . . . ?
C29A C30A C31 C30 160(19) . . . . ?
C29A C30A C31 C32 -13(8) . . . . ?
C29A C30A C31 C32A -13(8) . . . . ?
C29A C30A C31A C30 165(16) . . . . ?
C29A C30A C31A C32 4(10) . . . . ?
C29A C30A C31A C32A -1(8) . . . . ?
C29A C34 C34A C29 2(2) . . . . ?
C29A C34 C34A C33 138(6) . . . . ?
C29A C34 C34A C33A 154(5) . . . . ?
C30 C29 C30A C29A 42(75) . . . . ?
C30 C29 C30A C31 -113(73) . . . . ?
C30 C29 C30A C31A -119(73) . . . . ?
C30 C29 C34 C29A -164(8) . . . . ?
C30 C29 C34 C32A 0.8(14) . . . . ?
C30 C29 C34 C33 -0.3(11) . . . . ?
C30 C29 C34 C33A -5(4) . . . . ?
C30 C29 C34 C34A -158(4) . . . . ?
C30 C29 C34A C29A -155(8) . . . . ?
C30 C29 C34A C33 17(3) . . . . ?
C30 C29 C34A C33A 19(3) . . . . ?
C30 C29 C34A C34 31(5) . . . . ?
C30 C29A C30A C29 -160(39) . . . . ?
C30 C29A C30A C31 -130(40) . . . . ?
C30 C29A C30A C31A -139(39) . . . . ?
C30 C29A C34 C29 12(5) . . . . ?
C30 C29A C34 C32A -5(3) . . . . ?
C30 C29A C34 C33 -9(3) . . . . ?
C30 C29A C34 C33A -18(7) . . . . ?
C30 C29A C34 C34A -162(4) . . . . ?
C30 C29A C34A C29 14(5) . . . . ?
C30 C29A C34A C33 5(3) . . . . ?
C30 C29A C34A C33A 7(4) . . . . ?
C30 C29A C34A C34 20(5) . . . . ?
C30 C31 C32 C31A -18(11) . . . . ?
C30 C31 C32 C32A -3(6) . . . . ?
C30 C31 C32 C33 0.7(13) . . . . ?
C30 C31 C32 C33A 1.9(16) . . . . ?
C30 C31 C32A C31A -22(14) . . . . ?
C30 C31 C32A C32 178(5) . . . . ?
C30 C31 C32A C33 4(6) . . . . ?
C30 C31 C32A C33A 5(4) . . . . ?
C30 C31 C32A C34 1.1(19) . . . . ?
C30 C31A C32 C31 144(19) . . . . ?
C30 C31A C32 C32A -22(12) . . . . ?
C30 C31A C32 C33 -19(10) . . . . ?
C30 C31A C32 C33A -17(10) . . . . ?
C30 C31A C32A C31 149(19) . . . . ?
C30 C31A C32A C32 166(8) . . . . ?
C30 C31A C32A C33 -9(8) . . . . ?
C30 C31A C32A C33A -7(7) . . . . ?
C30 C31A C32A C34 -8(5) . . . . ?
C30A C29 C30 C29A -139(72) . . . . ?
C30A C29 C30 C31 63(70) . . . . ?
C30A C29 C30 C31A 58(70) . . . . ?
C30A C29 C34 C29A -166(9) . . . . ?
C30A C29 C34 C32A -2(4) . . . . ?
C30A C29 C34 C33 -3(4) . . . . ?
C30A C29 C34 C33A -7(5) . . . . ?
C30A C29 C34 C34A -160(6) . . . . ?
C30A C29 C34A C29A -159(10) . . . . ?
C30A C29 C34A C33 13(6) . . . . ?
C30A C29 C34A C33A 15(6) . . . . ?
C30A C29 C34A C34 27(7) . . . . ?
C30A C29A C30 C29 18(36) . . . . ?
C30A C29A C30 C31 43(34) . . . . ?
C30A C29A C30 C31A 36(34) . . . . ?
C30A C29A C34 C29 9(6) . . . . ?
C30A C29A C34 C32A -7(4) . . . . ?
C30A C29A C34 C33 -11(4) . . . . ?
C30A C29A C34 C33A -21(7) . . . . ?
C30A C29A C34 C34A -164(5) . . . . ?
C30A C29A C34A C29 11(5) . . . . ?
C30A C29A C34A C33 2(4) . . . . ?
C30A C29A C34A C33A 4(5) . . . . ?
C30A C29A C34A C34 17(5) . . . . ?
C30A C31 C32 C31A -17(10) . . . . ?
C30A C31 C32 C32A -1(6) . . . . ?
C30A C31 C32 C33 2(3) . . . . ?
C30A C31 C32 C33A 3(3) . . . . ?
C30A C31 C32A C31A -21(13) . . . . ?
C30A C31 C32A C32 179(100) . . . . ?
C30A C31 C32A C33 6(6) . . . . ?
C30A C31 C32A C33A 6(4) . . . . ?
C30A C31 C32A C34 2(3) . . . . ?
C30A C31A C32 C31 153(16) . . . . ?
C30A C31A C32 C32A -13(9) . . . . ?
C30A C31A C32 C33 -10(7) . . . . ?
C30A C31A C32 C33A -8(7) . . . . ?
C30A C31A C32A C31 153(17) . . . . ?
C30A C31A C32A C32 170(7) . . . . ?
C30A C31A C32A C33 -4(7) . . . . ?
C30A C31A C32A C33A -3(6) . . . . ?
C30A C31A C32A C34 -4(4) . . . . ?
C31 C30 C31A C30A -172(12) . . . . ?
C31 C30 C31A C32 -146(18) . . . . ?
C31 C30 C31A C32A -157(14) . . . . ?
C31 C30A C31A C30 8(13) . . . . ?
C31 C30A C31A C32 -153(16) . . . . ?
C31 C30A C31A C32A -158(13) . . . . ?
C31 C32 C32A C31A -4(3) . . . . ?
C31 C32 C32A C33A 31(35) . . . . ?
C31 C32 C32A C34 6(12) . . . . ?
C31 C32 C33 C32A -62(82) . . . . ?
C31 C32 C33 C33A 8(8) . . . . ?
C31 C32 C33 C34 -1.1(12) . . . . ?
C31 C32 C33 C34A 6.5(17) . . . . ?
C31 C32 C33A C32A -151(33) . . . . ?
C31 C32 C33A C33 -173(8) . . . . ?
C31 C32 C33A C34 -5(3) . . . . ?
C31 C32 C33A C34A 6(3) . . . . ?
C31 C32A C33 C32 115(86) . . . . ?
C31 C32A C33 C33A 2(13) . . . . ?
C31 C32A C33 C34 -5(6) . . . . ?
C31 C32A C33 C34A 2(7) . . . . ?
C31 C32A C33A C32 26(30) . . . . ?
C31 C32A C33A C33 -179(100) . . . . ?
C31 C32A C33A C34 -8(5) . . . . ?
C31 C32A C33A C34A 2(6) . . . . ?
C31A C30 C31 C30A 8(14) . . . . ?
C31A C30 C31 C32 16(9) . . . . ?
C31A C30 C31 C32A 15(9) . . . . ?
C31A C30A C31 C30 -171(15) . . . . ?
C31A C30A C31 C32 16(9) . . . . ?
C31A C30A C31 C32A 16(10) . . . . ?
C31A C32 C32A C31 4(3) . . . . ?
C31A C32 C32A C33A 35(34) . . . . ?
C31A C32 C32A C34 10(11) . . . . ?
C31A C32 C33 C32A -56(82) . . . . ?
C31A C32 C33 C33A 13(8) . . . . ?
C31A C32 C33 C34 4(3) . . . . ?
C31A C32 C33 C34A 12(3) . . . . ?
C31A C32 C33A C32A -146(33) . . . . ?
C31A C32 C33A C33 -167(8) . . . . ?
C31A C32 C33A C34 1(4) . . . . ?
C31A C32 C33A C34A 11(4) . . . . ?
C31A C32A C33 C32 121(86) . . . . ?
C31A C32A C33 C33A 8(12) . . . . ?
C31A C32A C33 C34 1(6) . . . . ?
C31A C32A C33 C34A 8(6) . . . . ?
C31A C32A C33A C32 32(30) . . . . ?
C31A C32A C33A C33 -173(10) . . . . ?
C31A C32A C33A C34 -3(6) . . . . ?
C31A C32A C33A C34A 7(6) . . . . ?
C32 C31 C32A C31A 160(15) . . . . ?
C32 C31 C32A C33 -173(11) . . . . ?
C32 C31 C32A C33A -173(9) . . . . ?
C32 C31 C32A C34 -177(7) . . . . ?
C32 C31A C32A C31 -17(13) . . . . ?
C32 C31A C32A C33 -175(10) . . . . ?
C32 C31A C32A C33A -173(8) . . . . ?
C32 C31A C32A C34 -174(7) . . . . ?
C32 C32A C33A C33 155(36) . . . . ?
C32 C32A C33A C34 -35(34) . . . . ?
C32 C32A C33A C34A -24(34) . . . . ?
C32 C33 C33A C32A -3(5) . . . . ?
C32 C33 C33A C34 -15(14) . . . . ?
C32 C33 C33A C34A -2(16) . . . . ?
C32 C33 C34 C29 0.9(11) . . . . ?
C32 C33 C34 C29A 7(3) . . . . ?
C32 C33 C34 C32A -2(3) . . . . ?
C32 C33 C34 C33A 171(8) . . . . ?
C32 C33 C34 C34A 129(8) . . . . ?
C32 C33 C34A C29 -12(2) . . . . ?
C32 C33 C34A C29A -10(3) . . . . ?
C32 C33 C34A C33A 179(100) . . . . ?
C32 C33 C34A C34 -55(8) . . . . ?
C32 C33A C34 C29 7(5) . . . . ?
C32 C33A C34 C29A 18(8) . . . . ?
C32 C33A C34 C32A -2(2) . . . . ?
C32 C33A C34 C33 -6(6) . . . . ?
C32 C33A C34 C34A 146(6) . . . . ?
C32 C33A C34A C29 -12(3) . . . . ?
C32 C33A C34A C29A -10(4) . . . . ?
C32 C33A C34A C33 -1(7) . . . . ?
C32 C33A C34A C34 -39(7) . . . . ?
C32A C31 C32 C31A -16(12) . . . . ?
C32A C31 C32 C33 3(6) . . . . ?
C32A C31 C32 C33A 5(6) . . . . ?
C32A C31A C32 C31 166(11) . . . . ?
C32A C31A C32 C33 3(5) . . . . ?
C32A C31A C32 C33A 5(5) . . . . ?
C32A C32 C33 C33A 69(83) . . . . ?
C32A C32 C33 C34 61(83) . . . . ?
C32A C32 C33 C34A 68(83) . . . . ?
C32A C32 C33A C33 -22(32) . . . . ?
C32A C32 C33A C34 146(33) . . . . ?
C32A C32 C33A C34A 157(33) . . . . ?
C32A C33 C33A C32 3(5) . . . . ?
C32A C33 C33A C34 -12(15) . . . . ?
C32A C33 C33A C34A 1(16) . . . . ?
C32A C33 C34 C29 3(3) . . . . ?
C32A C33 C34 C29A 9(4) . . . . ?
C32A C33 C34 C33A 173(9) . . . . ?
C32A C33 C34 C34A 131(8) . . . . ?
C32A C33 C34A C29 -10(4) . . . . ?
C32A C33 C34A C29A -8(4) . . . . ?
C32A C33 C34A C33A -179(100) . . . . ?
C32A C33 C34A C34 -53(9) . . . . ?
C32A C33A C34 C29 8(5) . . . . ?
C32A C33A C34 C29A 19(8) . . . . ?
C32A C33A C34 C33 -4(5) . . . . ?
C32A C33A C34 C34A 148(6) . . . . ?
C32A C33A C34A C29 -11(4) . . . . ?
C32A C33A C34A C29A -8(5) . . . . ?
C32A C33A C34A C33 0(7) . . . . ?
C32A C33A C34A C34 -38(7) . . . . ?
C32A C34 C34A C29 -82(10) . . . . ?
C32A C34 C34A C29A -84(10) . . . . ?
C32A C34 C34A C33 54(9) . . . . ?
C32A C34 C34A C33A 70(10) . . . . ?
C33 C32 C32A C31 -120(81) . . . . ?
C33 C32 C32A C31A -124(81) . . . . ?
C33 C32 C32A C33A -89(97) . . . . ?
C33 C32 C32A C34 -114(89) . . . . ?
C33 C32 C33A C32A 22(32) . . . . ?
C33 C32 C33A C34 168(11) . . . . ?
C33 C32 C33A C34A 179(100) . . . . ?
C33 C32A C33A C32 -155(36) . . . . ?
C33 C32A C33A C34 170(12) . . . . ?
C33 C32A C33A C34A -179(100) . . . . ?
C33 C33A C34 C29 13(10) . . . . ?
C33 C33A C34 C29A 24(13) . . . . ?
C33 C33A C34 C32A 4(5) . . . . ?
C33 C33A C34 C34A 152(7) . . . . ?
C33 C33A C34A C29 -11(10) . . . . ?
C33 C33A C34A C29A -9(11) . . . . ?
C33 C33A C34A C34 -38(10) . . . . ?
C33 C34 C34A C29 -136(7) . . . . ?
C33 C34 C34A C29A -138(6) . . . . ?
C33 C34 C34A C33A 17(4) . . . . ?
C33A C32 C32A C31 -31(35) . . . . ?
C33A C32 C32A C31A -35(34) . . . . ?
C33A C32 C32A C34 -25(24) . . . . ?
C33A C32 C33 C32A -69(83) . . . . ?
C33A C32 C33 C34 -9(8) . . . . ?
C33A C32 C33 C34A -1(8) . . . . ?
C33A C32A C33 C32 114(80) . . . . ?
C33A C32A C33 C34 -7(8) . . . . ?
C33A C32A C33 C34A 1(8) . . . . ?
C33A C33 C34 C29 -170(8) . . . . ?
C33A C33 C34 C29A -164(9) . . . . ?
C33A C33 C34 C32A -173(9) . . . . ?
C33A C33 C34 C34A -42(10) . . . . ?
C33A C33 C34A C29 169(10) . . . . ?
C33A C33 C34A C29A 172(10) . . . . ?
C33A C33 C34A C34 126(13) . . . . ?
C33A C34 C34A C29 -153(5) . . . . ?
C33A C34 C34A C29A -154(5) . . . . ?
C33A C34 C34A C33 -17(4) . . . . ?
C34 C29 C30 C29A 158(10) . . . . ?
C34 C29 C30 C31 -0.1(12) . . . . ?
C34 C29 C30 C31A -5(3) . . . . ?
C34 C29 C30A C29A 161(12) . . . . ?
C34 C29 C30A C31 5(8) . . . . ?
C34 C29 C30A C31A -1(6) . . . . ?
C34 C29 C34A C29A 174(7) . . . . ?
C34 C29 C34A C33 -14(3) . . . . ?
C34 C29 C34A C33A -12(3) . . . . ?
C34 C29A C30 C29 -17(8) . . . . ?
C34 C29A C30 C31 8(3) . . . . ?
C34 C29A C30 C31A 1(4) . . . . ?
C34 C29A C30A C29 -15(9) . . . . ?
C34 C29A C30A C31 15(8) . . . . ?
C34 C29A C30A C31A 6(6) . . . . ?
C34 C29A C34A C29 -6(7) . . . . ?
C34 C29A C34A C33 -15(3) . . . . ?
C34 C29A C34A C33A -13(3) . . . . ?
C34 C32A C33 C32 120(82) . . . . ?
C34 C32A C33 C33A 7(8) . . . . ?
C34 C32A C33 C34A 7.3(15) . . . . ?
C34 C32A C33A C32 35(34) . . . . ?
C34 C32A C33A C33 -170(12) . . . . ?
C34 C32A C33A C34A 10(2) . . . . ?
C34 C33 C33A C32 15(14) . . . . ?
C34 C33 C33A C32A 12(15) . . . . ?
C34 C33 C33A C34A 13(4) . . . . ?
C34 C33 C34A C29 43(7) . . . . ?
C34 C33 C34A C29A 45(7) . . . . ?
C34 C33 C34A C33A -126(13) . . . . ?
C34 C33A C34A C29 27(6) . . . . ?
C34 C33A C34A C29A 29(6) . . . . ?
C34 C33A C34A C33 38(10) . . . . ?
C34A C29 C30 C29A 145(11) . . . . ?
C34A C29 C30 C31 -13(3) . . . . ?
C34A C29 C30 C31A -18(3) . . . . ?
C34A C29 C30A C29A 149(14) . . . . ?
C34A C29 C30A C31 -7(10) . . . . ?
C34A C29 C30A C31A -12(8) . . . . ?
C34A C29 C34 C29A -6(7) . . . . ?
C34A C29 C34 C32A 159(4) . . . . ?
C34A C29 C34 C33 157(4) . . . . ?
C34A C29 C34 C33A 153(6) . . . . ?
C34A C29A C30 C29 -24(7) . . . . ?
C34A C29A C30 C31 1(4) . . . . ?
C34A C29A C30 C31A -6(5) . . . . ?
C34A C29A C30A C29 -21(9) . . . . ?
C34A C29A C30A C31 9(9) . . . . ?
C34A C29A C30A C31A 0(7) . . . . ?
C34A C29A C34 C29 174(8) . . . . ?
C34A C29A C34 C32A 157(5) . . . . ?
C34A C29A C34 C33 153(5) . . . . ?
C34A C29A C34 C33A 144(8) . . . . ?
C34A C33 C33A C32 2(16) . . . . ?
C34A C33 C33A C32A -1(16) . . . . ?
C34A C33 C33A C34 -13(4) . . . . ?
C34A C33 C34 C29 -128(8) . . . . ?
C34A C33 C34 C29A -122(9) . . . . ?
C34A C33 C34 C32A -131(8) . . . . ?
C34A C33 C34 C33A 42(10) . . . . ?
C34A C33A C34 C29 -139(8) . . . . ?
C34A C33A C34 C29A -128(10) . . . . ?
C34A C33A C34 C32A -148(6) . . . . ?
C34A C33A C34 C33 -152(7) . . . . ?
C35 P1 C23 P1A 100(4) . . . . ?
C35 P1 C23 C23A 139(5) . . . . ?
C35 P1 C23 C24 -80.5(5) . . . . ?
C35 P1 C23 C24A -98(2) . . . . ?
C35 P1 C23 C28 101.5(5) . . . . ?
C35 P1 C23 C28A 115.9(11) . . . . ?
C35 P1 C29 P1A 133(3) . . . . ?
C35 P1 C29 C30 -145.5(7) . . . . ?
C35 P1 C29 C30A -143(4) . . . . ?
C35 P1 C29 C34 32.2(7) . . . . ?
C35 P1 C29 C34A 41.6(15) . . . . ?
C35 P1 C29A P1A 126(3) . . . . ?
C35 P1 C29A C30 -139(2) . . . . ?
C35 P1 C29A C30A -136(4) . . . . ?
C35 P1 C29A C34 16(5) . . . . ?
C35 P1 C29A C34A 32(4) . . . . ?
C35 P1 C35A P1A 173(2) . . . . ?
C35 P1 C35A C36 83(3) . . . . ?
C35 P1 C35A C36A 8.3(10) . . . . ?
C35 P1A C23 P1 -68(3) . . . . ?
C35 P1A C23 C23A 147(5) . . . . ?
C35 P1A C23 C24 -68.5(11) . . . . ?
C35 P1A C23 C24A -91(3) . . . . ?
C35 P1A C23 C28 113.5(6) . . . . ?
C35 P1A C23 C28A 126.8(10) . . . . ?
C35 P1A C23A P1 -83(5) . . . . ?
C35 P1A C23A C23 -37(5) . . . . ?
C35 P1A C23A C24 -60(2) . . . . ?
C35 P1A C23A C24A -66(3) . . . . ?
C35 P1A C23A C27 85(3) . . . . ?
C35 P1A C23A C28 91(2) . . . . ?
C35 P1A C23A C28A 112(2) . . . . ?
C35 P1A C29A P1 -46(3) . . . . ?
C35 P1A C29A C30 -138(3) . . . . ?
C35 P1A C29A C30A -135(4) . . . . ?
C35 P1A C29A C34 39(5) . . . . ?
C35 P1A C29A C34A 48(3) . . . . ?
C35 P1A C35A P1 -7(2) . . . . ?
C35 P1A C35A C36 102(3) . . . . ?
C35 P1A C35A C36A 10.0(11) . . . . ?
C35 C35A C36 P2 29(3) . . . . ?
C35 C35A C36 P2A 12.1(19) . . . . ?
C35 C35A C36 C36A -10.4(13) . . . . ?
C35 C35A C36A P2 143(2) . . . . ?
C35 C35A C36A P2A 137(2) . . . . ?
C35 C35A C36A C36 159(3) . . . . ?
C35 C36 C36A P2 147.2(14) . . . . ?
C35 C36 C36A P2A 146.5(17) . . . . ?
C35 C36 C36A C35A -11.9(15) . . . . ?
C35A P1 C23 P1A 87(4) . . . . ?
C35A P1 C23 C23A 125(5) . . . . ?
C35A P1 C23 C24 -94.2(7) . . . . ?
C35A P1 C23 C24A -112(2) . . . . ?
C35A P1 C23 C28 87.8(7) . . . . ?
C35A P1 C23 C28A 102.2(12) . . . . ?
C35A P1 C29 P1A 111(3) . . . . ?
C35A P1 C29 C30 -167.6(9) . . . . ?
C35A P1 C29 C30A -165(4) . . . . ?
C35A P1 C29 C34 10.2(10) . . . . ?
C35A P1 C29 C34A 19.6(17) . . . . ?
C35A P1 C29A P1A 102(3) . . . . ?
C35A P1 C29A C30 -163.4(19) . . . . ?
C35A P1 C29A C30A -160(4) . . . . ?
C35A P1 C29A C34 -8(6) . . . . ?
C35A P1 C29A C34A 8(4) . . . . ?
C35A P1 C35 P1A -7(2) . . . . ?
C35A P1 C35 C36 -26.9(11) . . . . ?
C35A P1 C35 C36A -134(5) . . . . ?
C35A P1A C23 P1 -85(4) . . . . ?
C35A P1A C23 C23A 130(5) . . . . ?
C35A P1A C23 C24 -86.1(10) . . . . ?
C35A P1A C23 C24A -109(3) . . . . ?
C35A P1A C23 C28 96.0(8) . . . . ?
C35A P1A C23 C28A 109.2(12) . . . . ?
C35A P1A C23A P1 -98(5) . . . . ?
C35A P1A C23A C23 -51(5) . . . . ?
C35A P1A C23A C24 -74.1(17) . . . . ?
C35A P1A C23A C24A -80(3) . . . . ?
C35A P1A C23A C27 70(3) . . . . ?
C35A P1A C23A C28 77(2) . . . . ?
C35A P1A C23A C28A 98(2) . . . . ?
C35A P1A C29A P1 -63(3) . . . . ?
C35A P1A C29A C30 -155(2) . . . . ?
C35A P1A C29A C30A -152(4) . . . . ?
C35A P1A C29A C34 21(5) . . . . ?
C35A P1A C29A C34A 30(4) . . . . ?
C35A C35 C36 P2 -162.9(16) . . . . ?
C35A C35 C36 P2A -169.9(16) . . . . ?
C35A C35 C36 C36A 161(2) . . . . ?
C35A C35 C36A P2 -44(2) . . . . ?
C35A C35 C36A P2A -63(3) . . . . ?
C35A C35 C36A C36 -14.3(17) . . . . ?
C35A C36 C36A P2 159.1(11) . . . . ?
C35A C36 C36A P2A 158.4(13) . . . . ?
C35A C36 C36A C35 11.9(15) . . . . ?
C36 P2 P2A Cu14 109.01(17) . . . . ?
C36 P2 P2A C36A -1.2(7) . . . . ?
C36 P2 P2A C37 -112.3(5) . . . . ?
C36 P2 P2A C37A -144.2(15) . . . . ?
C36 P2 P2A C42 -155.3(5) . . . . ?
C36 P2 P2A C43A -97.6(9) . . . . ?
C36 P2 C37 P2A 72.8(5) . . . . ?
C36 P2 C37 C37A 109.6(14) . . . . ?
C36 P2 C37 C42A -179.5(11) . . . . ?
C36 P2 C37 C38 -38.9(5) . . . . ?
C36 P2 C37 C42 137.7(5) . . . . ?
C36 P2 C37 C43A -92.4(9) . . . . ?
C36 P2 C43 C43A 85.3(13) . . . . ?
C36 P2 C43 C44 -68.1(5) . . . . ?
C36 P2 C43 C45A 125(3) . . . . ?
C36 P2 C43 C48 113.2(6) . . . . ?
C36 P2 C43A P2A 93.0(5) . . . . ?
C36 P2 C43A C37 102.9(4) . . . . ?
C36 P2 C43A C43 -102.0(10) . . . . ?
C36 P2 C43A C44A -114.7(18) . . . . ?
C36 P2 C43A C48 -133(2) . . . . ?
C36 P2 C43A C48A 48(3) . . . . ?
C36 P2A C36A P2 -1.5(9) . . . . ?
C36 P2A C36A C35 49(3) . . . . ?
C36 P2A C36A C35A 15.8(10) . . . . ?
C36 P2A C37 P2 -72.0(6) . . . . ?
C36 P2A C37 C37A 139.2(13) . . . . ?
C36 P2A C37 C42A -174.0(9) . . . . ?
C36 P2A C37 C38 15.7(10) . . . . ?
C36 P2A C37 C42 163.5(5) . . . . ?
C36 P2A C37 C43A -61.2(8) . . . . ?
C36 P2A C37A C37 -68.8(16) . . . . ?
C36 P2A C37A C38A 69.2(19) . . . . ?
C36 P2A C37A C42A -110.1(14) . . . . ?
C36 P2A C37A C41 -111(8) . . . . ?
C36 P2A C37A C42 -155(2) . . . . ?
C36 P2A C43A P2 -66.0(7) . . . . ?
C36 P2A C43A C37 128.2(5) . . . . ?
C36 P2A C43A C43 -83.2(15) . . . . ?
C36 P2A C43A C44A -98(2) . . . . ?
C36 P2A C43A C48 -151(3) . . . . ?
C36 P2A C43A C48A 83.8(17) . . . . ?
C36 C35 C35A P1 143.8(13) . . . . ?
C36 C35 C35A P1A 142.0(16) . . . . ?
C36 C35 C35A C36A -20(2) . . . . ?
C36 C35 C36A P2 -29.6(12) . . . . ?
C36 C35 C36A P2A -48(3) . . . . ?
C36 C35 C36A C35A 14.3(17) . . . . ?
C36 C35A C36A P2 -16.5(9) . . . . ?
C36 C35A C36A P2A -22.7(13) . . . . ?
C36 C35A C36A C35 -159(3) . . . . ?
C36A P2 P2A Cu14 110.2(7) . . . . ?
C36A P2 P2A C36 1.2(7) . . . . ?
C36A P2 P2A C37 -111.1(9) . . . . ?
C36A P2 P2A C37A -143.0(18) . . . . ?
C36A P2 P2A C42 -154.1(10) . . . . ?
C36A P2 P2A C43A -96.4(11) . . . . ?
C36A P2 C36 P2A -1.4(9) . . . . ?
C36A P2 C36 C35 -17.6(8) . . . . ?
C36A P2 C36 C35A -35(2) . . . . ?
C36A P2 C37 P2A 48.7(8) . . . . ?
C36A P2 C37 C37A 85.5(15) . . . . ?
C36A P2 C37 C42A 156.4(12) . . . . ?
C36A P2 C37 C38 -63.0(7) . . . . ?
C36A P2 C37 C42 113.6(8) . . . . ?
C36A P2 C37 C43A -116.5(10) . . . . ?
C36A P2 C43 C43A 55.3(17) . . . . ?
C36A P2 C43 C44 -98.1(11) . . . . ?
C36A P2 C43 C45A 94(3) . . . . ?
C36A P2 C43 C48 83.1(11) . . . . ?
C36A P2 C43A P2A 52.1(8) . . . . ?
C36A P2 C43A C37 62.0(9) . . . . ?
C36A P2 C43A C43 -142.9(11) . . . . ?
C36A P2 C43A C44A -155.6(18) . . . . ?
C36A P2 C43A C48 -174(2) . . . . ?
C36A P2 C43A C48A 7(3) . . . . ?
C36A P2A C37 P2 -116.3(10) . . . . ?
C36A P2A C37 C37A 94.9(15) . . . . ?
C36A P2A C37 C42A 141.6(12) . . . . ?
C36A P2A C37 C38 -28.6(11) . . . . ?
C36A P2A C37 C42 119.2(9) . . . . ?
C36A P2A C37 C43A -105.6(10) . . . . ?
C36A P2A C37A C37 -92.5(12) . . . . ?
C36A P2A C37A C38A 45.5(15) . . . . ?
C36A P2A C37A C42A -133.8(13) . . . . ?
C36A P2A C37A C41 -135(8) . . . . ?
C36A P2A C37A C42 -179(3) . . . . ?
C36A P2A C43A P2 -99.2(11) . . . . ?
C36A P2A C43A C37 95.0(10) . . . . ?
C36A P2A C43A C43 -116.3(16) . . . . ?
C36A P2A C43A C44A -131(2) . . . . ?
C36A P2A C43A C48 176(3) . . . . ?
C36A P2A C43A C48A 51(2) . . . . ?
C36A C35 C35A P1 163.6(19) . . . . ?
C36A C35 C35A P1A 161.9(18) . . . . ?
C36A C35 C35A C36 20(2) . . . . ?
C36A C35 C36 P2 35.7(16) . . . . ?
C36A C35 C36 P2A 28.8(16) . . . . ?
C36A C35 C36 C35A -161(2) . . . . ?
C36A C35A C36 P2 39(2) . . . . ?
C36A C35A C36 P2A 22.5(13) . . . . ?
C36A C35A C36 C35 10.4(13) . . . . ?
C37 P2 P2A Cu14 -138.7(5) . . . . ?
C37 P2 P2A C36 112.3(5) . . . . ?
C37 P2 P2A C36A 111.1(9) . . . . ?
C37 P2 P2A C37A -31.9(15) . . . . ?
C37 P2 P2A C42 -43.0(4) . . . . ?
C37 P2 P2A C43A 14.7(10) . . . . ?
C37 P2 C36 P2A -37.4(4) . . . . ?
C37 P2 C36 C35 -53.6(4) . . . . ?
C37 P2 C36 C35A -71(2) . . . . ?
C37 P2 C36 C36A -36.0(8) . . . . ?
C37 P2 C43 C43A -24.5(13) . . . . ?
C37 P2 C43 C44 -177.9(4) . . . . ?
C37 P2 C43 C45A 15(3) . . . . ?
C37 P2 C43 C48 3.4(6) . . . . ?
C37 P2 C43A P2A -9.9(7) . . . . ?
C37 P2 C43A C43 155.1(13) . . . . ?
C37 P2 C43A C44A 142.4(19) . . . . ?
C37 P2 C43A C48 124(3) . . . . ?
C37 P2 C43A C48A -55(3) . . . . ?
C37 P2A C36A P2 119.8(7) . . . . ?
C37 P2A C36A C35 170(3) . . . . ?
C37 P2A C36A C35A 137.1(13) . . . . ?
C37 P2A C36A C36 121.3(8) . . . . ?
C37 P2A C37A C38A 138(2) . . . . ?
C37 P2A C37A C42A -41.3(11) . . . . ?
C37 P2A C37A C41 -42(7) . . . . ?
C37 P2A C37A C42 -86(3) . . . . ?
C37 P2A C43A P2 165.8(10) . . . . ?
C37 P2A C43A C43 148.7(17) . . . . ?
C37 P2A C43A C44A 134(2) . . . . ?
C37 P2A C43A C48 81(3) . . . . ?
C37 P2A C43A C48A -44.4(16) . . . . ?
C37 C37A C38A C39A -125(3) . . . . ?
C37 C37A C38A C41 -126(3) . . . . ?
C37 C37A C38A C42 -171(5) . . . . ?
C37 C37A C42A C41A 152.1(19) . . . . ?
C37 C37A C42A C40 109.5(16) . . . . ?
C37 C37A C42A C41 153(2) . . . . ?
C37 C37A C42A C42 -117(3) . . . . ?
C37 C37A C41 C38A 145(2) . . . . ?
C37 C37A C41 C39A 145(2) . . . . ?
C37 C37A C41 C40A 141(3) . . . . ?
C37 C37A C41 C41A -32(3) . . . . ?
C37 C37A C41 C42A -34(3) . . . . ?
C37 C37A C41 C40 54(2) . . . . ?
C37 C37A C41 C42 -83(3) . . . . ?
C37 C37A C42 P2A -44.4(9) . . . . ?
C37 C37A C42 C38A 175(3) . . . . ?
C37 C37A C42 C42A 64(3) . . . . ?
C37 C37A C42 C41 125.4(14) . . . . ?
C37 C42A C41 C37A 18.8(17) . . . . ?
C37 C42A C41 C38A 18(2) . . . . ?
C37 C42A C41 C39A 15(5) . . . . ?
C37 C42A C41 C40A -158(2) . . . . ?
C37 C42A C41 C41A -160.0(14) . . . . ?
C37 C42A C41 C40 -83.1(14) . . . . ?
C37 C42A C41 C42 41.8(8) . . . . ?
C37 C42A C42 P2A 16.2(8) . . . . ?
C37 C42A C42 C37A -47(2) . . . . ?
C37 C42A C42 C38A -103.2(14) . . . . ?
C37 C42A C42 C41 -130.2(10) . . . . ?
C37 C38 C39 C40 -0.7(9) . . . . ?
C37 C43A C44A P2 60(2) . . . . ?
C37 C43A C44A C44 130(3) . . . . ?
C37 C43A C44A C45A -129(3) . . . . ?
C37 C43A C44A C48 -105(3) . . . . ?
C37 C43A C48 C43 139.4(17) . . . . ?
C37 C43A C48 C44A 126(2) . . . . ?
C37 C43A C48 C45A 158.6(16) . . . . ?
C37 C43A C48 C46A -122.2(15) . . . . ?
C37 C43A C48 C47 -166.0(18) . . . . ?
C37 C43A C48 C47A -92.0(14) . . . . ?
C37 C43A C48 C48A -78.7(15) . . . . ?
C37 C43A C48A C38 -8.7(9) . . . . ?
C37 C43A C48A C47A 151.1(18) . . . . ?
C37 C43A C48A C48 130.9(11) . . . . ?
C37A P2A C36A P2 158.3(10) . . . . ?
C37A P2A C36A C35 -151(3) . . . . ?
C37A P2A C36A C35A 175.6(15) . . . . ?
C37A P2A C36A C36 159.9(10) . . . . ?
C37A P2A C37 P2 148.7(13) . . . . ?
C37A P2A C37 C42A 46.7(11) . . . . ?
C37A P2A C37 C38 -123.5(15) . . . . ?
C37A P2A C37 C42 24.3(12) . . . . ?
C37A P2A C37 C43A 159.5(14) . . . . ?
C37A P2A C43A P2 152.9(11) . . . . ?
C37A P2A C43A C37 -12.9(9) . . . . ?
C37A P2A C43A C43 135.7(16) . . . . ?
C37A P2A C43A C44A 121(2) . . . . ?
C37A P2A C43A C48 68(3) . . . . ?
C37A P2A C43A C48A -57(2) . . . . ?
C37A C37 C42A C41A -60(3) . . . . ?
C37A C37 C42A C40 -72.4(15) . . . . ?
C37A C37 C42A C41 -27(2) . . . . ?
C37A C37 C42A C42 24.0(18) . . . . ?
C37A C37 C38 C39 24.1(13) . . . . ?
C37A C37 C38 C48A 166.1(12) . . . . ?
C37A C37 C42 P2A 79(3) . . . . ?
C37A C37 C42 C38A -4(2) . . . . ?
C37A C37 C42 C42A -126(4) . . . . ?
C37A C37 C42 C41 -74(3) . . . . ?
C37A C37 C43A P2 55(3) . . . . ?
C37A C37 C43A P2A 62(3) . . . . ?
C37A C37 C43A C43 3(5) . . . . ?
C37A C37 C43A C44A -14(5) . . . . ?
C37A C37 C43A C48 -82(3) . . . . ?
C37A C37 C43A C48A -155(3) . . . . ?
C37A C38A C39A C40A 0.0 . . . . ?
C37A C38A C39A C41 -0.9(7) . . . . ?
C37A C38A C41 C39A 179.1(7) . . . . ?
C37A C38A C41 C40A 178.3(14) . . . . ?
C37A C38A C41 C42A 0.9(7) . . . . ?
C37A C38A C41 C40 99.2(10) . . . . ?
C37A C38A C41 C42 -17.5(11) . . . . ?
C37A C38A C42 P2A -31(3) . . . . ?
C37A C38A C42 C37 4(3) . . . . ?
C37A C38A C42 C42A 99(4) . . . . ?
C37A C38A C42 C41 124(3) . . . . ?
C37A C42A C41 C38A -0.8(6) . . . . ?
C37A C42A C41 C39A -4(3) . . . . ?
C37A C42A C41 C40A -177(3) . . . . ?
C37A C42A C41 C41A -178.8(10) . . . . ?
C37A C42A C41 C40 -101.9(9) . . . . ?
C37A C42A C41 C42 23.0(14) . . . . ?
C37A C42A C42 P2A 63(2) . . . . ?
C37A C42A C42 C37 47(2) . . . . ?
C37A C42A C42 C38A -57(2) . . . . ?
C37A C42A C42 C41 -84(2) . . . . ?
C37A C41 C42 P2A 17(3) . . . . ?
C37A C41 C42 C37 51(3) . . . . ?
C37A C41 C42 C38A -39(2) . . . . ?
C37A C41 C42 C42A 116(4) . . . . ?
C38A C37A C42A C37 -152.1(19) . . . . ?
C38A C37A C42A C41A 0.0 . . . . ?
C38A C37A C42A C40 -42.7(7) . . . . ?
C38A C37A C42A C41 1.0(8) . . . . ?
C38A C37A C42A C42 91(3) . . . . ?
C38A C37A C41 C39A -0.7(5) . . . . ?
C38A C37A C41 C40A -4(3) . . . . ?
C38A C37A C41 C41A -178(2) . . . . ?
C38A C37A C41 C42A -179.0(8) . . . . ?
C38A C37A C41 C40 -91.0(9) . . . . ?
C38A C37A C41 C42 132(3) . . . . ?
C38A C37A C42 P2A 141(3) . . . . ?
C38A C37A C42 C37 -175(3) . . . . ?
C38A C37A C42 C42A -111(2) . . . . ?
C38A C37A C42 C41 -49.5(19) . . . . ?
C38A C39A C40A C41A 0.0 . . . . ?
C38A C39A C40A C40 53.5(7) . . . . ?
C38A C39A C40A C41 -1.0(8) . . . . ?
C38A C39A C41 C37A 0.7(5) . . . . ?
C38A C39A C41 C40A 179.0(8) . . . . ?
C38A C39A C41 C41A 178(2) . . . . ?
C38A C39A C41 C42A 4(3) . . . . ?
C38A C39A C41 C40 103.3(9) . . . . ?
C38A C39A C41 C42 -16.6(11) . . . . ?
C38A C41 C42 P2A 56.4(13) . . . . ?
C38A C41 C42 C37 90.2(11) . . . . ?
C38A C41 C42 C37A 39(2) . . . . ?
C38A C41 C42 C42A 155.0(19) . . . . ?
C39A C38A C41 C37A -179.1(7) . . . . ?
C39A C38A C41 C40A -0.9(7) . . . . ?
C39A C38A C41 C42A -178.3(14) . . . . ?
C39A C38A C41 C40 -79.9(10) . . . . ?
C39A C38A C41 C42 163.3(11) . . . . ?
C39A C38A C42 P2A -170.9(10) . . . . ?
C39A C38A C42 C37 -135.3(10) . . . . ?
C39A C38A C42 C37A -139.5(19) . . . . ?
C39A C38A C42 C42A -41(2) . . . . ?
C39A C38A C42 C41 -15.0(10) . . . . ?
C39A C40A C41A C42A 0.0 . . . . ?
C39A C40A C41A C40 65.0(8) . . . . ?
C39A C40A C41A C41 -1.3(11) . . . . ?
C39A C40A C40 C41A -128.0(4) . . . . ?
C39A C40A C40 C42A -93.8(6) . . . . ?
C39A C40A C40 C39 -62(5) . . . . ?
C39A C40A C40 C41 -72.1(8) . . . . ?
C39A C40A C41 C37A 4(3) . . . . ?
C39A C40A C41 C38A 0.8(6) . . . . ?
C39A C40A C41 C41A 178.8(10) . . . . ?
C39A C40A C41 C42A 177(3) . . . . ?
C39A C40A C41 C40 96.2(9) . . . . ?
C39A C40A C41 C42 -62(4) . . . . ?
C39A C41 C42 P2A 70.3(15) . . . . ?
C39A C41 C42 C37 104.2(11) . . . . ?
C39A C41 C42 C37A 53(3) . . . . ?
C39A C41 C42 C38A 13.9(9) . . . . ?
C39A C41 C42 C42A 169.0(17) . . . . ?
C40A C39A C41 C37A -178.4(13) . . . . ?
C40A C39A C41 C38A -179.0(8) . . . . ?
C40A C39A C41 C41A -1.5(12) . . . . ?
C40A C39A C41 C42A -175(4) . . . . ?
C40A C39A C41 C40 -75.7(11) . . . . ?
C40A C39A C41 C42 164.3(15) . . . . ?
C40A C41A C42A C37 42(3) . . . . ?
C40A C41A C42A C37A 0.0 . . . . ?
C40A C41A C42A C40 57.4(8) . . . . ?
C40A C41A C42A C41 -1.3(11) . . . . ?
C40A C41A C42A C42 -25.1(15) . . . . ?
C40A C41A C40 C42A -127.6(4) . . . . ?
C40A C41A C40 C39 -167.4(10) . . . . ?
C40A C41A C40 C41 -67.8(8) . . . . ?
C40A C41A C41 C37A 177(2) . . . . ?
C40A C41A C41 C39A 1.3(11) . . . . ?
C40A C41A C41 C42A 178.7(11) . . . . ?
C40A C41A C41 C40 79.6(10) . . . . ?
C40A C41A C41 C42 -164.4(16) . . . . ?
C40A C40 C41 C37A 157.0(13) . . . . ?
C40A C40 C41 C38A 106.1(11) . . . . ?
C40A C40 C41 C39A 57.1(6) . . . . ?
C40A C40 C41 C41A -74.3(9) . . . . ?
C40A C40 C41 C42A -145.2(14) . . . . ?
C40A C40 C41 C42 173.3(12) . . . . ?
C40A C41 C42 P2A 125(4) . . . . ?
C40A C41 C42 C37 159(4) . . . . ?
C40A C41 C42 C37A 108(5) . . . . ?
C40A C41 C42 C38A 69(4) . . . . ?
C40A C41 C42 C42A -136(4) . . . . ?
C41A C40A C40 C42A 34.2(4) . . . . ?
C41A C40A C40 C39 66(5) . . . . ?
C41A C40A C40 C41 55.9(8) . . . . ?
C41A C40A C41 C37A -175(4) . . . . ?
C41A C40A C41 C38A -178.0(16) . . . . ?
C41A C40A C41 C39A -178.8(10) . . . . ?
C41A C40A C41 C42A -2.2(18) . . . . ?
C41A C40A C41 C40 -82.6(13) . . . . ?
C41A C40A C41 C42 119(5) . . . . ?
C41A C42A C41 C37A 178.8(10) . . . . ?
C41A C42A C41 C38A 178.0(16) . . . . ?
C41A C42A C41 C39A 175(4) . . . . ?
C41A C42A C41 C40A 2.2(18) . . . . ?
C41A C42A C41 C40 76.9(12) . . . . ?
C41A C42A C41 C42 -158.2(13) . . . . ?
C41A C42A C42 P2A 164.5(10) . . . . ?
C41A C42A C42 C37 148.3(14) . . . . ?
C41A C42A C42 C37A 102(3) . . . . ?
C41A C42A C42 C38A 45(2) . . . . ?
C41A C42A C42 C41 18.1(10) . . . . ?
C41A C40 C41 C37A -128.8(13) . . . . ?
C41A C40 C41 C38A -179.6(13) . . . . ?
C41A C40 C41 C39A 131.3(12) . . . . ?
C41A C40 C41 C40A 74.3(9) . . . . ?
C41A C40 C41 C42A -70.9(10) . . . . ?
C41A C40 C41 C42 -112.5(12) . . . . ?
C41A C41 C42 P2A -121.6(18) . . . . ?
C41A C41 C42 C37 -87.8(17) . . . . ?
C41A C41 C42 C37A -139(3) . . . . ?
C41A C41 C42 C38A -178.0(17) . . . . ?
C41A C41 C42 C42A -22.9(14) . . . . ?
C42A C37 C37A P2A -143.7(8) . . . . ?
C42A C37 C37A C38A 134(2) . . . . ?
C42A C37 C37A C41 25.5(19) . . . . ?
C42A C37 C37A C42 -37(3) . . . . ?
C42A C37 C38 C39 -30.1(8) . . . . ?
C42A C37 C38 C48A 111.9(8) . . . . ?
C42A C37 C42 P2A -155.4(12) . . . . ?
C42A C37 C42 C37A 126(4) . . . . ?
C42A C37 C42 C38A 122.0(15) . . . . ?
C42A C37 C42 C41 52.3(12) . . . . ?
C42A C37 C43A P2 127.3(12) . . . . ?
C42A C37 C43A P2A 134.3(11) . . . . ?
C42A C37 C43A C43 75(3) . . . . ?
C42A C37 C43A C44A 58(3) . . . . ?
C42A C37 C43A C48 -9.9(19) . . . . ?
C42A C37 C43A C48A -82.7(16) . . . . ?
C42A C37A C38A C39A 0.0 . . . . ?
C42A C37A C38A C41 -0.9(7) . . . . ?
C42A C37A C38A C42 -46(2) . . . . ?
C42A C37A C41 C38A 179.0(8) . . . . ?
C42A C37A C41 C39A 178.4(13) . . . . ?
C42A C37A C41 C40A 175(4) . . . . ?
C42A C37A C41 C41A 1.5(12) . . . . ?
C42A C37A C41 C40 88.0(12) . . . . ?
C42A C37A C41 C42 -49(3) . . . . ?
C42A C37A C42 P2A -109(2) . . . . ?
C42A C37A C42 C37 -64(3) . . . . ?
C42A C37A C42 C38A 111(2) . . . . ?
C42A C37A C42 C41 61.1(16) . . . . ?
C42A C41A C40 C40A 127.6(4) . . . . ?
C42A C41A C40 C39 -39.8(9) . . . . ?
C42A C41A C40 C41 59.8(8) . . . . ?
C42A C41A C41 C37A -1.3(11) . . . . ?
C42A C41A C41 C39A -177(2) . . . . ?
C42A C41A C41 C40A -178.7(11) . . . . ?
C42A C41A C41 C40 -99.0(11) . . . . ?
C42A C41A C41 C42 17.0(11) . . . . ?
C42A C40 C41 C37A -57.8(6) . . . . ?
C42A C40 C41 C38A -108.7(10) . . . . ?
C42A C40 C41 C39A -157.7(12) . . . . ?
C42A C40 C41 C40A 145.2(14) . . . . ?
C42A C40 C41 C41A 70.9(10) . . . . ?
C42A C40 C41 C42 -41.5(10) . . . . ?
C42A C41 C42 P2A -98.7(19) . . . . ?
C42A C41 C42 C37 -64.8(17) . . . . ?
C42A C41 C42 C37A -116(4) . . . . ?
C42A C41 C42 C38A -155.0(19) . . . . ?
C38 C37 C37A P2A 136.6(8) . . . . ?
C38 C37 C37A C38A 55(3) . . . . ?
C38 C37 C37A C42A -79.7(10) . . . . ?
C38 C37 C37A C41 -54(2) . . . . ?
C38 C37 C37A C42 -117(3) . . . . ?
C38 C37 C42A C37A 111.5(13) . . . . ?
C38 C37 C42A C41A 52(3) . . . . ?
C38 C37 C42A C40 39.1(9) . . . . ?
C38 C37 C42A C41 84.2(16) . . . . ?
C38 C37 C42A C42 135.5(11) . . . . ?
C38 C37 C42 P2A 151.9(8) . . . . ?
C38 C37 C42 C37A 73(3) . . . . ?
C38 C37 C42 C38A 69.3(10) . . . . ?
C38 C37 C42 C42A -52.7(13) . . . . ?
C38 C37 C42 C41 -0.4(10) . . . . ?
C38 C37 C43A P2 -137.6(7) . . . . ?
C38 C37 C43A P2A -130.6(5) . . . . ?
C38 C37 C43A C43 170(3) . . . . ?
C38 C37 C43A C44A 153(3) . . . . ?
C38 C37 C43A C48 85.2(13) . . . . ?
C38 C37 C43A C48A 12.4(13) . . . . ?
C38 C39 C40 C40A -6(5) . . . . ?
C38 C39 C40 C41A 53.1(12) . . . . ?
C38 C39 C40 C42A 26.2(9) . . . . ?
C38 C39 C40 C41 3.3(10) . . . . ?
C39 C40 C41 C37A -20.6(11) . . . . ?
C39 C40 C41 C38A -71.5(10) . . . . ?
C39 C40 C41 C39A -120.5(9) . . . . ?
C39 C40 C41 C40A -177.6(11) . . . . ?
C39 C40 C41 C41A 108.2(12) . . . . ?
C39 C40 C41 C42A 37.2(12) . . . . ?
C39 C40 C41 C42 -4.3(11) . . . . ?
C40 C40A C41A C42A -65.0(8) . . . . ?
C40 C40A C41A C41 -66.3(12) . . . . ?
C40 C40A C41 C37A -92(4) . . . . ?
C40 C40A C41 C38A -95.4(11) . . . . ?
C40 C40A C41 C39A -96.2(9) . . . . ?
C40 C40A C41 C41A 82.6(13) . . . . ?
C40 C40A C41 C42A 80(3) . . . . ?
C40 C40A C41 C42 -158(4) . . . . ?
C40 C41A C42A C37 -15(3) . . . . ?
C40 C41A C42A C37A -57.4(8) . . . . ?
C40 C41A C42A C41 -58.7(12) . . . . ?
C40 C41A C42A C42 -82.5(17) . . . . ?
C40 C41A C41 C37A 97.7(19) . . . . ?
C40 C41A C41 C39A -78.3(18) . . . . ?
C40 C41A C41 C40A -79.6(10) . . . . ?
C40 C41A C41 C42A 99.0(11) . . . . ?
C40 C41A C41 C42 116.0(10) . . . . ?
C40 C42A C41 C37A 101.9(9) . . . . ?
C40 C42A C41 C38A 101.1(12) . . . . ?
C40 C42A C41 C39A 98(4) . . . . ?
C40 C42A C41 C40A -75(3) . . . . ?
C40 C42A C41 C41A -76.9(12) . . . . ?
C40 C42A C41 C42 124.9(12) . . . . ?
C40 C42A C42 P2A 110.4(8) . . . . ?
C40 C42A C42 C37 94.2(10) . . . . ?
C40 C42A C42 C37A 48(3) . . . . ?
C40 C42A C42 C38A -9(2) . . . . ?
C40 C42A C42 C41 -36.0(6) . . . . ?
C40 C41 C42 P2A -31.0(14) . . . . ?
C40 C41 C42 C37 2.9(11) . . . . ?
C40 C41 C42 C37A -48(3) . . . . ?
C40 C41 C42 C38A -87.3(11) . . . . ?
C40 C41 C42 C42A 67.7(16) . . . . ?
C41 C37A C38A C39A 0.9(7) . . . . ?
C41 C37A C38A C42 -45(2) . . . . ?
C41 C37A C42A C37 -153(2) . . . . ?
C41 C37A C42A C41A -1.0(8) . . . . ?
C41 C37A C42A C40 -43.7(8) . . . . ?
C41 C37A C42A C42 90(3) . . . . ?
C41 C37A C42 P2A -169.8(14) . . . . ?
C41 C37A C42 C37 -125.4(14) . . . . ?
C41 C37A C42 C38A 49.5(19) . . . . ?
C41 C37A C42 C42A -61.1(16) . . . . ?
C41 C38A C39A C40A 0.9(7) . . . . ?
C41 C38A C42 P2A -155.9(6) . . . . ?
C41 C38A C42 C37 -120.2(6) . . . . ?
C41 C38A C42 C37A -124(3) . . . . ?
C41 C38A C42 C42A -25.7(18) . . . . ?
C41 C39A C40A C41A 1.0(8) . . . . ?
C41 C39A C40A C40 54.6(8) . . . . ?
C41 C40A C41A C42A 1.3(11) . . . . ?
C41 C40A C41A C40 66.3(12) . . . . ?
C41 C40A C40 C41A -55.9(8) . . . . ?
C41 C40A C40 C42A -21.7(9) . . . . ?
C41 C40A C40 C39 11(5) . . . . ?
C41 C41A C42A C37 43(2) . . . . ?
C41 C41A C42A C37A 1.3(11) . . . . ?
C41 C41A C42A C40 58.7(12) . . . . ?
C41 C41A C42A C42 -23.8(14) . . . . ?
C41 C41A C40 C40A 67.8(8) . . . . ?
C41 C41A C40 C42A -59.8(8) . . . . ?
C41 C41A C40 C39 -99.6(11) . . . . ?
C41 C42A C42 P2A 146.4(7) . . . . ?
C41 C42A C42 C37 130.2(10) . . . . ?
C41 C42A C42 C37A 84(2) . . . . ?
C41 C42A C42 C38A 27.0(19) . . . . ?
C42 P2A C36A P2 158.0(8) . . . . ?
C42 P2A C36A C35 -152(3) . . . . ?
C42 P2A C36A C35A 175.3(11) . . . . ?
C42 P2A C36A C36 159.5(5) . . . . ?
C42 P2A C37 P2 124.5(6) . . . . ?
C42 P2A C37 C37A -24.3(12) . . . . ?
C42 P2A C37 C42A 22.5(9) . . . . ?
C42 P2A C37 C38 -147.8(10) . . . . ?
C42 P2A C37 C43A 135.2(8) . . . . ?
C42 P2A C37A C37 86(3) . . . . ?
C42 P2A C37A C38A -136(4) . . . . ?
C42 P2A C37A C42A 45(3) . . . . ?
C42 P2A C37A C41 44(6) . . . . ?
C42 P2A C43A P2 138.8(7) . . . . ?
C42 P2A C43A C37 -27.0(4) . . . . ?
C42 P2A C43A C43 121.7(15) . . . . ?
C42 P2A C43A C44A 107(2) . . . . ?
C42 P2A C43A C48 54(3) . . . . ?
C42 P2A C43A C48A -71.4(17) . . . . ?
C42 C37 C37A P2A -106(2) . . . . ?
C42 C37 C37A C38A 172(5) . . . . ?
C42 C37 C37A C42A 37(3) . . . . ?
C42 C37 C37A C41 63(2) . . . . ?
C42 C37 C42A C37A -24.0(18) . . . . ?
C42 C37 C42A C41A -84(2) . . . . ?
C42 C37 C42A C40 -96.4(11) . . . . ?
C42 C37 C42A C41 -51.3(12) . . . . ?
C42 C37 C38 C39 -0.7(9) . . . . ?
C42 C37 C38 C48A 141.3(8) . . . . ?
C42 C37 C43A P2 82.6(12) . . . . ?
C42 C37 C43A P2A 89.7(9) . . . . ?
C42 C37 C43A C43 31(4) . . . . ?
C42 C37 C43A C44A 13(3) . . . . ?
C42 C37 C43A C48 -54.5(17) . . . . ?
C42 C37 C43A C48A -127.4(12) . . . . ?
C42 C37A C38A C39A 46(2) . . . . ?
C42 C37A C38A C41 45(2) . . . . ?
C42 C37A C42A C37 117(3) . . . . ?
C42 C37A C42A C41A -91(3) . . . . ?
C42 C37A C42A C40 -133(3) . . . . ?
C42 C37A C42A C41 -90(3) . . . . ?
C42 C37A C41 C38A -132(3) . . . . ?
C42 C37A C41 C39A -132(3) . . . . ?
C42 C37A C41 C40A -136(4) . . . . ?
C42 C37A C41 C41A 51(4) . . . . ?
C42 C37A C41 C42A 49(3) . . . . ?
C42 C37A C41 C40 137(2) . . . . ?
C42 C38A C39A C40A 13.7(9) . . . . ?
C42 C38A C39A C41 12.9(8) . . . . ?
C42 C38A C41 C37A 17.5(11) . . . . ?
C42 C38A C41 C39A -163.3(11) . . . . ?
C42 C38A C41 C40A -164.2(14) . . . . ?
C42 C38A C41 C42A 18.4(15) . . . . ?
C42 C38A C41 C40 116.8(7) . . . . ?
C42 C42A C41 C37A -23.0(14) . . . . ?
C42 C42A C41 C38A -23.8(18) . . . . ?
C42 C42A C41 C39A -27(4) . . . . ?
C42 C42A C41 C40A 160(2) . . . . ?
C42 C42A C41 C41A 158.2(13) . . . . ?
C42 C42A C41 C40 -124.9(12) . . . . ?
C43 P2 P2A Cu14 -135.8(6) . . . . ?
C43 P2 P2A C36 115.2(6) . . . . ?
C43 P2 P2A C36A 114.0(9) . . . . ?
C43 P2 P2A C37 2.9(9) . . . . ?
C43 P2 P2A C37A -29.0(18) . . . . ?
C43 P2 P2A C42 -40.1(9) . . . . ?
C43 P2 P2A C43A 17.6(10) . . . . ?
C43 P2 C36 P2A -149.0(4) . . . . ?
C43 P2 C36 C35 -165.2(4) . . . . ?
C43 P2 C36 C35A 177(2) . . . . ?
C43 P2 C36 C36A -147.6(8) . . . . ?
C43 P2 C37 P2A -178.3(5) . . . . ?
C43 P2 C37 C37A -141.5(14) . . . . ?
C43 P2 C37 C42A -70.6(11) . . . . ?
C43 P2 C37 C38 70.0(5) . . . . ?
C43 P2 C37 C42 -113.5(5) . . . . ?
C43 P2 C37 C43A 16.5(9) . . . . ?
C43 P2 C43A P2A -164.9(9) . . . . ?
C43 P2 C43A C37 -155.1(13) . . . . ?
C43 P2 C43A C44A -12.7(17) . . . . ?
C43 P2 C43A C48 -30.6(16) . . . . ?
C43 P2 C43A C48A 150(4) . . . . ?
C43 C43A C44A P2 -75(7) . . . . ?
C43 C43A C44A C44 -5(4) . . . . ?
C43 C43A C44A C45A 96(7) . . . . ?
C43 C43A C44A C48 120(7) . . . . ?
C43 C43A C48 C44A -14(2) . . . . ?
C43 C43A C48 C45A 19.2(17) . . . . ?
C43 C43A C48 C46A 98.3(14) . . . . ?
C43 C43A C48 C47 55(3) . . . . ?
C43 C43A C48 C47A 128.6(11) . . . . ?
C43 C43A C48 C48A 141.8(17) . . . . ?
C43 C43A C48A C38 -175.4(17) . . . . ?
C43 C43A C48A C47A -16(3) . . . . ?
C43 C43A C48A C48 -35.8(15) . . . . ?
C43 C44 C44A P2 44(5) . . . . ?
C43 C44 C44A C43A 3(3) . . . . ?
C43 C44 C44A C45A -115(7) . . . . ?
C43 C44 C44A C48 -97(7) . . . . ?
C43 C44 C45 C45A 4.5(9) . . . . ?
C43 C44 C45 C46 2.2(10) . . . . ?
C43 C44 C45A C44A 16.1(18) . . . . ?
C43 C44 C45A C45 -175.4(9) . . . . ?
C43 C44 C45A C46 -173.3(14) . . . . ?
C43 C44 C45A C46A -84(3) . . . . ?
C43 C44 C45A C47 -157(8) . . . . ?
C43 C44 C45A C48 -2.4(11) . . . . ?
C43 C45A C46 C45 -10(2) . . . . ?
C43 C45A C46 C46A 124(3) . . . . ?
C43 C45A C46 C47 166(3) . . . . ?
C43 C45A C46A C46 -147(2) . . . . ?
C43 C45A C46A C47 151(3) . . . . ?
C43 C45A C46A C47A 15(3) . . . . ?
C43 C45A C46A C48 43.5(14) . . . . ?
C43 C45A C47 C46 -164(4) . . . . ?
C43 C45A C47 C46A -57(4) . . . . ?
C43 C45A C47 C48 9(3) . . . . ?
C43 C45A C48 C43A -13.7(12) . . . . ?
C43 C45A C48 C44A 14.4(17) . . . . ?
C43 C45A C48 C46A -132.2(13) . . . . ?
C43 C45A C48 C47 -174.5(16) . . . . ?
C43 C45A C48 C47A -112.5(9) . . . . ?
C43 C45A C48 C48A -71.1(15) . . . . ?
C43 C48 C48A C38 83.0(12) . . . . ?
C43 C48 C48A C43A 26.1(13) . . . . ?
C43 C48 C48A C47A -134.6(13) . . . . ?
C43A P2 P2A Cu14 -153.4(9) . . . . ?
C43A P2 P2A C36 97.6(9) . . . . ?
C43A P2 P2A C36A 96.4(11) . . . . ?
C43A P2 P2A C37 -14.7(10) . . . . ?
C43A P2 P2A C37A -46.6(18) . . . . ?
C43A P2 P2A C42 -57.7(10) . . . . ?
C43A P2 C36 P2A -108.8(11) . . . . ?
C43A P2 C36 C35 -124.9(11) . . . . ?
C43A P2 C36 C35A -143(2) . . . . ?
C43A P2 C36 C36A -107.4(13) . . . . ?
C43A P2 C37 P2A 165.2(10) . . . . ?
C43A P2 C37 C37A -158.0(16) . . . . ?
C43A P2 C37 C42A -87.1(14) . . . . ?
C43A P2 C37 C38 53.5(10) . . . . ?
C43A P2 C37 C42 -129.9(10) . . . . ?
C43A P2 C43 C44 -153.4(14) . . . . ?
C43A P2 C43 C45A 39(3) . . . . ?
C43A P2 C43 C48 27.8(14) . . . . ?
C43A P2A C36A P2 46.7(8) . . . . ?
C43A P2A C36A C35 97(3) . . . . ?
C43A P2A C36A C35A 64.0(16) . . . . ?
C43A P2A C36A C36 48.2(11) . . . . ?
C43A P2A C37 P2 -10.8(7) . . . . ?
C43A P2A C37 C37A -159.5(14) . . . . ?
C43A P2A C37 C42A -112.8(12) . . . . ?
C43A P2A C37 C38 76.9(9) . . . . ?
C43A P2A C37 C42 -135.2(8) . . . . ?
C43A P2A C37A C37 20.2(14) . . . . ?
C43A P2A C37A C38A 158.2(13) . . . . ?
C43A P2A C37A C42A -21.1(15) . . . . ?
C43A P2A C37A C41 -22(8) . . . . ?
C43A P2A C37A C42 -66(3) . . . . ?
C43A C37 C37A P2A -57(3) . . . . ?
C43A C37 C37A C38A -139(3) . . . . ?
C43A C37 C37A C42A 87(3) . . . . ?
C43A C37 C37A C41 112(3) . . . . ?
C43A C37 C37A C42 50(5) . . . . ?
C43A C37 C42A C37A -153.1(16) . . . . ?
C43A C37 C42A C41A 147(2) . . . . ?
C43A C37 C42A C40 134.5(8) . . . . ?
C43A C37 C42A C41 179.7(13) . . . . ?
C43A C37 C42A C42 -129.0(10) . . . . ?
C43A C37 C38 C39 -150.7(8) . . . . ?
C43A C37 C38 C48A -8.7(9) . . . . ?
C43A C37 C42 P2A -75.3(10) . . . . ?
C43A C37 C42 C37A -154(3) . . . . ?
C43A C37 C42 C38A -157.9(12) . . . . ?
C43A C37 C42 C42A 80.1(15) . . . . ?
C43A C37 C42 C41 132.4(10) . . . . ?
C43A C43 C44 C44A -172(7) . . . . ?
C43A C43 C44 C45 128(2) . . . . ?
C43A C43 C44 C45A 133(3) . . . . ?
C43A C43 C45A C44 -158.5(13) . . . . ?
C43A C43 C45A C44A 107(8) . . . . ?
C43A C43 C45A C45 -155.2(13) . . . . ?
C43A C43 C45A C46 -147(2) . . . . ?
C43A C43 C45A C46A -32(3) . . . . ?
C43A C43 C45A C47 8(5) . . . . ?
C43A C43 C45A C48 18.8(18) . . . . ?
C43A C43 C48 C44A 131(7) . . . . ?
C43A C43 C48 C45A -163.6(16) . . . . ?
C43A C43 C48 C46A -113.4(15) . . . . ?
C43A C43 C48 C47 -159.4(12) . . . . ?
C43A C43 C48 C47A -59.2(13) . . . . ?
C43A C43 C48 C48A -26.4(11) . . . . ?
C43A C44A C45A C43 -52(6) . . . . ?
C43A C44A C45A C44 -127(4) . . . . ?
C43A C44A C45A C45 -135(3) . . . . ?
C43A C44A C45A C46 -143(3) . . . . ?
C43A C44A C45A C46A -7(5) . . . . ?
C43A C44A C45A C47 49(6) . . . . ?
C43A C44A C45A C48 32(3) . . . . ?
C43A C44A C48 C43 -40(5) . . . . ?
C43A C44A C48 C45A -151(2) . . . . ?
C43A C44A C48 C46A -113.9(16) . . . . ?
C43A C44A C48 C47 -157.6(12) . . . . ?
C43A C44A C48 C47A -52(2) . . . . ?
C43A C44A C48 C48A -17.3(17) . . . . ?
C43A C48 C48A C38 56.9(14) . . . . ?
C43A C48 C48A C47A -161(2) . . . . ?
C44 C43 C43A P2 66(3) . . . . ?
C44 C43 C43A P2A 74(3) . . . . ?
C44 C43 C43A C37 112(3) . . . . ?
C44 C43 C43A C44A 171(8) . . . . ?
C44 C43 C43A C48 -137(2) . . . . ?
C44 C43 C43A C48A -93(3) . . . . ?
C44 C43 C45A C44A -95(8) . . . . ?
C44 C43 C45A C45 3.3(6) . . . . ?
C44 C43 C45A C46 11(2) . . . . ?
C44 C43 C45A C46A 127(2) . . . . ?
C44 C43 C45A C47 167(4) . . . . ?
C44 C43 C45A C48 177.3(12) . . . . ?
C44 C43 C48 C43A 160.6(12) . . . . ?
C44 C43 C48 C44A -69(6) . . . . ?
C44 C43 C48 C45A -3.0(13) . . . . ?
C44 C43 C48 C46A 47.2(12) . . . . ?
C44 C43 C48 C47 1.2(10) . . . . ?
C44 C43 C48 C47A 101.4(9) . . . . ?
C44 C43 C48 C48A 134.2(8) . . . . ?
C44 C44A C45A C43 75(8) . . . . ?
C44 C44A C45A C45 -8.1(14) . . . . ?
C44 C44A C45A C46 -16(4) . . . . ?
C44 C44A C45A C46A 121(2) . . . . ?
C44 C44A C45A C47 176(4) . . . . ?
C44 C44A C45A C48 159(2) . . . . ?
C44 C44A C48 C43 85(7) . . . . ?
C44 C44A C48 C43A 126(4) . . . . ?
C44 C44A C48 C45A -26(2) . . . . ?
C44 C44A C48 C46A 12(3) . . . . ?
C44 C44A C48 C47 -32(3) . . . . ?
C44 C44A C48 C47A 74(3) . . . . ?
C44 C44A C48 C48A 108(2) . . . . ?
C44 C45 C45A C43 -3.4(6) . . . . ?
C44 C45 C45A C44A 8.8(16) . . . . ?
C44 C45 C45A C46 -177.3(10) . . . . ?
C44 C45 C45A C46A -122(2) . . . . ?
C44 C45 C45A C47 -174(2) . . . . ?
C44 C45 C45A C48 -14(3) . . . . ?
C44 C45 C46 C45A 2.9(11) . . . . ?
C44 C45 C46 C46A -32.4(11) . . . . ?
C44 C45 C46 C47 0.2(11) . . . . ?
C44 C45A C46 C45 -1.9(7) . . . . ?
C44 C45A C46 C46A 132.1(19) . . . . ?
C44 C45A C46 C47 174.6(19) . . . . ?
C44 C45A C46A C46 -94(3) . . . . ?
C44 C45A C46A C47 -155(4) . . . . ?
C44 C45A C46A C47A 69(3) . . . . ?
C44 C45A C46A C48 97(3) . . . . ?
C44 C45A C47 C46 -18(7) . . . . ?
C44 C45A C47 C46A 90(7) . . . . ?
C44 C45A C47 C48 156(8) . . . . ?
C44 C45A C48 C43 2.1(9) . . . . ?
C44 C45A C48 C43A -11.6(19) . . . . ?
C44 C45A C48 C44A 16.5(18) . . . . ?
C44 C45A C48 C46A -130.1(19) . . . . ?
C44 C45A C48 C47 -172(2) . . . . ?
C44 C45A C48 C47A -110.4(11) . . . . ?
C44 C45A C48 C48A -69.0(18) . . . . ?
C44A P2 P2A Cu14 -121.0(16) . . . . ?
C44A P2 P2A C36 129.9(16) . . . . ?
C44A P2 P2A C36A 128.7(17) . . . . ?
C44A P2 P2A C37 17.6(18) . . . . ?
C44A P2 P2A C37A -14(2) . . . . ?
C44A P2 P2A C42 -25.3(18) . . . . ?
C44A P2 P2A C43A 32.3(17) . . . . ?
C44A P2 C36 P2A -150.7(11) . . . . ?
C44A P2 C36 C35 -166.8(11) . . . . ?
C44A P2 C36 C35A 175(2) . . . . ?
C44A P2 C36 C36A -149.3(13) . . . . ?
C44A P2 C37 P2A -169.3(11) . . . . ?
C44A P2 C37 C37A -132.5(17) . . . . ?
C44A P2 C37 C42A -61.6(15) . . . . ?
C44A P2 C37 C38 79.0(11) . . . . ?
C44A P2 C37 C42 -104.4(11) . . . . ?
C44A P2 C37 C43A 25.5(12) . . . . ?
C44A P2 C43 C43A -104(8) . . . . ?
C44A P2 C43 C44 102(8) . . . . ?
C44A P2 C43 C45A -65(8) . . . . ?
C44A P2 C43 C48 -77(7) . . . . ?
C44A P2 C43A P2A -152.3(17) . . . . ?
C44A P2 C43A C37 -142.4(19) . . . . ?
C44A P2 C43A C43 12.7(17) . . . . ?
C44A P2 C43A C48 -18(2) . . . . ?
C44A P2 C43A C48A 162(4) . . . . ?
C44A C43A C48 C43 14(2) . . . . ?
C44A C43A C48 C45A 33(2) . . . . ?
C44A C43A C48 C46A 112(2) . . . . ?
C44A C43A C48 C47 68(3) . . . . ?
C44A C43A C48 C47A 142(2) . . . . ?
C44A C43A C48 C48A 156(3) . . . . ?
C44A C43A C48A C38 -160(2) . . . . ?
C44A C43A C48A C47A -1(3) . . . . ?
C44A C43A C48A C48 -21(2) . . . . ?
C44A C44 C45 C45A -9.3(17) . . . . ?
C44A C44 C45 C46 -11.7(16) . . . . ?
C44A C44 C45A C43 -16.1(18) . . . . ?
C44A C44 C45A C45 169(2) . . . . ?
C44A C44 C45A C46 171(2) . . . . ?
C44A C44 C45A C46A -100(4) . . . . ?
C44A C44 C45A C47 -173(8) . . . . ?
C44A C44 C45A C48 -18.5(19) . . . . ?
C44A C45A C46 C45 11(4) . . . . ?
C44A C45A C46 C46A 145(5) . . . . ?
C44A C45A C46 C47 -173(5) . . . . ?
C44A C45A C46A C46 -157(3) . . . . ?
C44A C45A C46A C47 142(4) . . . . ?
C44A C45A C46A C47A 6(4) . . . . ?
C44A C45A C46A C48 34(2) . . . . ?
C44A C45A C47 C46 172(5) . . . . ?
C44A C45A C47 C46A -80(5) . . . . ?
C44A C45A C47 C48 -14(4) . . . . ?
C44A C45A C48 C43 -14.4(17) . . . . ?
C44A C45A C48 C43A -28(2) . . . . ?
C44A C45A C48 C46A -147(2) . . . . ?
C44A C45A C48 C47 171(2) . . . . ?
C44A C45A C48 C47A -126.9(18) . . . . ?
C44A C45A C48 C48A -86(2) . . . . ?
C44A C48 C48A C38 77(2) . . . . ?
C44A C48 C48A C43A 20(2) . . . . ?
C44A C48 C48A C47A -140(2) . . . . ?
C45 C44 C44A P2 170.9(9) . . . . ?
C45 C44 C44A C43A 130(2) . . . . ?
C45 C44 C44A C45A 11(2) . . . . ?
C45 C44 C44A C48 30(3) . . . . ?
C45 C44 C45A C43 175.4(9) . . . . ?
C45 C44 C45A C44A -169(2) . . . . ?
C45 C44 C45A C46 2.1(8) . . . . ?
C45 C44 C45A C46A 91(3) . . . . ?
C45 C44 C45A C47 18(7) . . . . ?
C45 C44 C45A C48 172.9(17) . . . . ?
C45 C45A C46 C46A 134.0(15) . . . . ?
C45 C45A C46 C47 176.5(14) . . . . ?
C45 C45A C46A C46 -39.7(14) . . . . ?
C45 C45A C46A C47 -101(3) . . . . ?
C45 C45A C46A C47A 122(2) . . . . ?
C45 C45A C46A C48 151(3) . . . . ?
C45 C45A C47 C46 -3.1(13) . . . . ?
C45 C45A C47 C46A 104(2) . . . . ?
C45 C45A C47 C48 170(3) . . . . ?
C45 C45A C48 C43 12(3) . . . . ?
C45 C45A C48 C43A -1(4) . . . . ?
C45 C45A C48 C44A 27(3) . . . . ?
C45 C45A C48 C46A -120(4) . . . . ?
C45 C45A C48 C47 -162(4) . . . . ?
C45 C45A C48 C47A -100(3) . . . . ?
C45 C45A C48 C48A -59(4) . . . . ?
C45 C46 C46A C45A 50.0(17) . . . . ?
C45 C46 C46A C47 111.1(15) . . . . ?
C45 C46 C46A C47A 2(5) . . . . ?
C45 C46 C46A C48 57.3(12) . . . . ?
C45 C46 C47 C45A 4.0(16) . . . . ?
C45 C46 C47 C46A -83.6(16) . . . . ?
C45 C46 C47 C48 -1.9(12) . . . . ?
C45A C43 C43A P2 -169.5(11) . . . . ?
C45A C43 C43A P2A -161.7(12) . . . . ?
C45A C43 C43A C37 -123(3) . . . . ?
C45A C43 C43A C44A -64(7) . . . . ?
C45A C43 C43A C48 -12.7(12) . . . . ?
C45A C43 C43A C48A 31(3) . . . . ?
C45A C43 C44 C44A 55(6) . . . . ?
C45A C43 C44 C45 -4.9(9) . . . . ?
C45A C43 C48 C43A 163.6(16) . . . . ?
C45A C43 C48 C44A -66(6) . . . . ?
C45A C43 C48 C46A 50.1(13) . . . . ?
C45A C43 C48 C47 4.2(12) . . . . ?
C45A C43 C48 C47A 104.4(14) . . . . ?
C45A C43 C48 C48A 137.2(14) . . . . ?
C45A C44 C44A P2 160(3) . . . . ?
C45A C44 C44A C43A 119(4) . . . . ?
C45A C44 C44A C48 18.9(18) . . . . ?
C45A C44 C45 C46 -2.3(9) . . . . ?
C45A C44A C48 C43 111(7) . . . . ?
C45A C44A C48 C43A 151(2) . . . . ?
C45A C44A C48 C46A 37(2) . . . . ?
C45A C44A C48 C47 -6.4(18) . . . . ?
C45A C44A C48 C47A 99.2(17) . . . . ?
C45A C44A C48 C48A 133.9(15) . . . . ?
C45A C45 C46 C46A -35.3(10) . . . . ?
C45A C45 C46 C47 -2.6(11) . . . . ?
C45A C46 C46A C47 61.2(17) . . . . ?
C45A C46 C46A C47A -48(5) . . . . ?
C45A C46 C46A C48 7.3(15) . . . . ?
C45A C46 C47 C46A -87.6(17) . . . . ?
C45A C46 C47 C48 -5.9(15) . . . . ?
C45A C46A C47 C46 73(2) . . . . ?
C45A C46A C47 C48 -45.7(19) . . . . ?
C45A C46A C47A C48 19.6(16) . . . . ?
C45A C46A C47A C48A -2(3) . . . . ?
C45A C46A C48 C43 -57.5(18) . . . . ?
C45A C46A C48 C43A -112(2) . . . . ?
C45A C46A C48 C44A -41(2) . . . . ?
C45A C46A C48 C47 44.1(17) . . . . ?
C45A C46A C48 C47A -154(2) . . . . ?
C45A C46A C48 C48A -141.3(18) . . . . ?
C45A C47 C48 C43 -6.3(18) . . . . ?
C45A C47 C48 C43A -48(3) . . . . ?
C45A C47 C48 C44A 9(3) . . . . ?
C45A C47 C48 C46A -109(2) . . . . ?
C45A C47 C48 C47A -122(2) . . . . ?
C45A C47 C48 C48A -116(2) . . . . ?
C45A C48 C48A C38 152.0(19) . . . . ?
C45A C48 C48A C43A 95(2) . . . . ?
C45A C48 C48A C47A -66(2) . . . . ?
C46 C45 C45A C43 173.9(14) . . . . ?
C46 C45 C45A C44 177.3(10) . . . . ?
C46 C45 C45A C44A -174(2) . . . . ?
C46 C45 C45A C46A 55.1(19) . . . . ?
C46 C45 C45A C47 3.7(15) . . . . ?
C46 C45 C45A C48 163(4) . . . . ?
C46 C45A C46A C47 -61.7(19) . . . . ?
C46 C45A C46A C47A 162(2) . . . . ?
C46 C45A C46A C48 -169(2) . . . . ?
C46 C45A C47 C46A 107.5(16) . . . . ?
C46 C45A C47 C48 173.3(17) . . . . ?
C46 C45A C48 C43 159(5) . . . . ?
C46 C45A C48 C43A 145(5) . . . . ?
C46 C45A C48 C44A 174(6) . . . . ?
C46 C45A C48 C46A 27(5) . . . . ?
C46 C45A C48 C47 -15(4) . . . . ?
C46 C45A C48 C47A 47(6) . . . . ?
C46 C45A C48 C48A 88(6) . . . . ?
C46 C46A C47 C45A -73(2) . . . . ?
C46 C46A C47 C48 -118.2(9) . . . . ?
C46 C46A C47A C48 57(4) . . . . ?
C46 C46A C47A C48A 36(6) . . . . ?
C46 C46A C48 C43 -65.3(12) . . . . ?
C46 C46A C48 C43A -119.6(12) . . . . ?
C46 C46A C48 C44A -48(2) . . . . ?
C46 C46A C48 C45A -7.7(16) . . . . ?
C46 C46A C48 C47 36.4(8) . . . . ?
C46 C46A C48 C47A -162.1(17) . . . . ?
C46 C46A C48 C48A -149.0(10) . . . . ?
C46 C47 C48 C43 1.2(12) . . . . ?
C46 C47 C48 C43A -41(3) . . . . ?
C46 C47 C48 C44A 17(2) . . . . ?
C46 C47 C48 C45A 7.4(18) . . . . ?
C46 C47 C48 C46A -101.3(16) . . . . ?
C46 C47 C48 C47A -115.0(11) . . . . ?
C46 C47 C48 C48A -108.3(12) . . . . ?
C46A C45A C46 C45 -134.0(15) . . . . ?
C46A C45A C46 C47 42.5(11) . . . . ?
C46A C45A C47 C46 -107.5(16) . . . . ?
C46A C45A C47 C48 66(2) . . . . ?
C46A C45A C48 C43 132.2(13) . . . . ?
C46A C45A C48 C43A 118.5(15) . . . . ?
C46A C45A C48 C44A 147(2) . . . . ?
C46A C45A C48 C47 -42.3(13) . . . . ?
C46A C45A C48 C47A 19.7(16) . . . . ?
C46A C45A C48 C48A 61(2) . . . . ?
C46A C46 C47 C45A 87.6(16) . . . . ?
C46A C46 C47 C48 81.8(15) . . . . ?
C46A C47 C48 C43 102.5(16) . . . . ?
C46A C47 C48 C43A 61(3) . . . . ?
C46A C47 C48 C44A 118(2) . . . . ?
C46A C47 C48 C45A 109(2) . . . . ?
C46A C47 C48 C47A -13.7(15) . . . . ?
C46A C47 C48 C48A -7.0(18) . . . . ?
C46A C47A C48 C43 -109.8(14) . . . . ?
C46A C47A C48 C43A -147.2(16) . . . . ?
C46A C47A C48 C44A -106(2) . . . . ?
C46A C47A C48 C45A -24(2) . . . . ?
C46A C47A C48 C47 11.6(13) . . . . ?
C46A C47A C48 C48A -161(2) . . . . ?
C46A C47A C48A C38 142(2) . . . . ?
C46A C47A C48A C43A -1(3) . . . . ?
C46A C47A C48A C48 18.1(19) . . . . ?
C46A C48 C48A C38 -156.5(14) . . . . ?
C46A C48 C48A C43A 146.6(15) . . . . ?
C46A C48 C48A C47A -14.1(15) . . . . ?
C47 C45A C46 C45 -176.5(14) . . . . ?
C47 C45A C46 C46A -42.5(11) . . . . ?
C47 C45A C46A C46 61.7(19) . . . . ?
C47 C45A C46A C47A -136(3) . . . . ?
C47 C45A C46A C48 -108(2) . . . . ?
C47 C45A C48 C43 174.5(16) . . . . ?
C47 C45A C48 C43A 160.8(13) . . . . ?
C47 C45A C48 C44A -171(2) . . . . ?
C47 C45A C48 C46A 42.3(13) . . . . ?
C47 C45A C48 C47A 62.0(19) . . . . ?
C47 C45A C48 C48A 103(2) . . . . ?
C47 C46 C46A C45A -61.2(17) . . . . ?
C47 C46 C46A C47A -109(5) . . . . ?
C47 C46 C46A C48 -53.9(12) . . . . ?
C47 C46A C47A C48 -27(3) . . . . ?
C47 C46A C47A C48A -48(4) . . . . ?
C47 C46A C48 C43 -101.6(15) . . . . ?
C47 C46A C48 C43A -155.9(14) . . . . ?
C47 C46A C48 C44A -85(2) . . . . ?
C47 C46A C48 C45A -44.1(17) . . . . ?
C47 C46A C48 C47A 162(2) . . . . ?
C47 C46A C48 C48A 174.6(14) . . . . ?
C47 C48 C48A C38 -152.1(9) . . . . ?
C47 C48 C48A C43A 151.1(14) . . . . ?
C47 C48 C48A C47A -9.6(17) . . . . ?
C47A C46A C47 C45A 75(4) . . . . ?
C47A C46A C47 C46 147(3) . . . . ?
C47A C46A C47 C48 29(3) . . . . ?
C47A C46A C48 C43 96.8(13) . . . . ?
C47A C46A C48 C43A 42.5(18) . . . . ?
C47A C46A C48 C44A 113.7(19) . . . . ?
C47A C46A C48 C45A 154(2) . . . . ?
C47A C46A C48 C47 -162(2) . . . . ?
C47A C46A C48 C48A 13.1(13) . . . . ?
C47A C48 C48A C38 -142(2) . . . . ?
C47A C48 C48A C43A 161(2) . . . . ?
C48 C43 C43A P2 -156.7(11) . . . . ?
C48 C43 C43A P2A -149.0(14) . . . . ?
C48 C43 C43A C37 -111(3) . . . . ?
C48 C43 C43A C44A -51(7) . . . . ?
C48 C43 C43A C48A 44.0(18) . . . . ?
C48 C43 C44 C44A 57(6) . . . . ?
C48 C43 C44 C45 -2.9(9) . . . . ?
C48 C43 C44 C45A 2.1(9) . . . . ?
C48 C43 C45A C44 -177.3(12) . . . . ?
C48 C43 C45A C44A 88(8) . . . . ?
C48 C43 C45A C45 -174.0(16) . . . . ?
C48 C43 C45A C46 -166(3) . . . . ?
C48 C43 C45A C46A -50.6(17) . . . . ?
C48 C43 C45A C47 -10(3) . . . . ?
C48 C43A C44A P2 164.6(17) . . . . ?
C48 C43A C44A C44 -125(4) . . . . ?
C48 C43A C44A C45A -23.8(19) . . . . ?
C48 C43A C48A C38 -139.6(10) . . . . ?
C48 C43A C48A C47A 20(2) . . . . ?
C48 C44A C45A C43 -84(7) . . . . ?
C48 C44A C45A C44 -159(2) . . . . ?
C48 C44A C45A C45 -167.3(18) . . . . ?
C48 C44A C45A C46 -176(4) . . . . ?
C48 C44A C45A C46A -39(2) . . . . ?
C48 C44A C45A C47 17(5) . . . . ?
C48 C45A C46 C45 -160(6) . . . . ?
C48 C45A C46 C46A -26(5) . . . . ?
C48 C45A C46 C47 17(5) . . . . ?
C48 C45A C46A C46 169(2) . . . . ?
C48 C45A C46A C47 108(2) . . . . ?
C48 C45A C46A C47A -28(2) . . . . ?
C48 C45A C47 C46 -173.3(17) . . . . ?
C48 C45A C47 C46A -66(2) . . . . ?
C48 C46A C47 C45A 45.7(19) . . . . ?
C48 C46A C47 C46 118.2(9) . . . . ?
C48 C46A C47A C48A -21(2) . . . . ?
C48 C47A C48A C38 124(3) . . . . ?
C48 C47A C48A C43A -18.7(18) . . . . ?
C48A C38 C39 C40 -118.7(11) . . . . ?
C48A C43A C44A P2 -168(3) . . . . ?
C48A C43A C44A C44 -97(3) . . . . ?
C48A C43A C44A C45A 4(4) . . . . ?
C48A C43A C44A C48 28(3) . . . . ?
C48A C43A C48 C43 -141.8(17) . . . . ?
C48A C43A C48 C44A -156(3) . . . . ?
C48A C43A C48 C45A -122.6(17) . . . . ?
C48A C43A C48 C46A -43.5(18) . . . . ?
C48A C43A C48 C47 -87(3) . . . . ?
C48A C43A C48 C47A -13.3(13) . . . . ?
C48A C47A C48 C43 51.2(14) . . . . ?
C48A C47A C48 C43A 13.7(14) . . . . ?
C48A C47A C48 C44A 55(2) . . . . ?
C48A C47A C48 C45A 137.0(18) . . . . ?
C48A C47A C48 C46A 161(2) . . . . ?
C48A C47A C48 C47 172.6(13) . . . . ?
C49 P3 C55 C56 67.8(8) . . . . ?
C49 P3 C55 C60 -122.3(7) . . . . ?
C49 P3 C61 C62 -164.9(6) . . . . ?
C49 C50 C51 C52 -0.4(16) . . . . ?
C49A P3 C55 C56A 44.0(13) . . . . ?
C49A P3 C55 C60A -138.9(18) . . . . ?
C49A P3 C61 C62 -158.5(9) . . . . ?
C49A C50A C51A C52A -1(3) . . . . ?
C50 C49 C54 C53 0(2) . . . . ?
C50 C51 C52 C53 -5.3(14) . . . . ?
C50A C49A C54A C53A -4(3) . . . . ?
C50A C51A C52A C53A -5(2) . . . . ?
C51 C52 C53 C54 8.0(14) . . . . ?
C51A C52A C53A C54A 7.1(19) . . . . ?
C52 C53 C54 C49 -5.1(17) . . . . ?
C52A C53A C54A C49A -2(2) . . . . ?
C54 C49 C50 C51 3(2) . . . . ?
C54A C49A C50A C51A 6(3) . . . . ?
C55 P3 C49 C50 -165.6(11) . . . . ?
C55 P3 C49 C54 17.8(15) . . . . ?
C55 P3 C49A C50A -172.8(19) . . . . ?
C55 P3 C49A C54A 7(2) . . . . ?
C55 P3 C61 C62 -52.3(3) . . . . ?
C55 C56 C57 C58 -3.8(12) . . . . ?
C55 C56A C57A C58A 4(3) . . . . ?
C56 C55 C60 C59 -3.6(9) . . . . ?
C56 C57 C58 C59 2.8(13) . . . . ?
C56A C55 C60A C59A 8(3) . . . . ?
C56A C57A C58A C59A -7(4) . . . . ?
C57 C58 C59 C60 -2.3(13) . . . . ?
C57A C58A C59A C60A 9(4) . . . . ?
C58 C59 C60 C55 2.6(11) . . . . ?
C58A C59A C60A C55 -10(4) . . . . ?
C60 C55 C56 C57 4.1(10) . . . . ?
C60A C55 C56A C57A -5(3) . . . . ?
C61 P3 C49 C50 -58.0(13) . . . . ?
C61 P3 C49 C54 125.3(13) . . . . ?
C61 P3 C49A C50A -67(2) . . . . ?
C61 P3 C49A C54A 113.0(18) . . . . ?
C61 P3 C55 C56 -40.1(5) . . . . ?
C61 P3 C55 C56A -64.2(9) . . . . ?
C61 P3 C55 C60 129.8(4) . . . . ?
C61 P3 C55 C60A 112.9(15) . . . . ?
C62 P4 C63 C64 122.0(5) . . . . ?
C62 P4 C63 C68 -57.5(6) . . . . ?
C62 P4 C69 C70 -68.2(6) . . . . ?
C62 P4 C69 C74 113.7(6) . . . . ?
C62 P4 C69A C70A -78(2) . . . . ?
C62 P4 C69A C74A 98(3) . . . . ?
C63 P4 C62 C61 -67.8(4) . . . . ?
C63 P4 C69 C70 -177.3(6) . . . . ?
C63 P4 C69 C74 4.5(8) . . . . ?
C63 C64 C65 C66 -2.2(9) . . . . ?
C63A P4 C62 C61 -63.9(6) . . . . ?
C63A P4 C69A C70A 174(2) . . . . ?
C63A P4 C69A C74A -10(3) . . . . ?
C63A C68A C67A C66A 0.0 . . . . ?
C68A C63A C64A C65A 0.0 . . . . ?
C68A C67A C66A C65A 0.0 . . . . ?
C67A C66A C65A C64A 0.0 . . . . ?
C66A C65A C64A C63A 0.0 . . . . ?
C64A C63A C68A C67A 0.0 . . . . ?
C64 C63 C68 C67 -0.8(9) . . . . ?
C64 C65 C66 C67 1.4(10) . . . . ?
C65 C66 C67 C68 -0.4(10) . . . . ?
C66 C67 C68 C63 0.1(9) . . . . ?
C68 C63 C64 C65 1.9(9) . . . . ?
C69 P4 C62 C61 177.9(3) . . . . ?
C69 P4 C63 C64 -131.5(6) . . . . ?
C69 P4 C63 C68 48.9(7) . . . . ?
C69 C70 C71 C72 0.9(11) . . . . ?
C69A P4 C62 C61 -168.5(10) . . . . ?
C69A C70A C71A C72A 7(4) . . . . ?
C70 C69 C74 C73 2.7(10) . . . . ?
C70 C71 C72 C73 0.4(11) . . . . ?
C70A C69A C74A C73A -2(4) . . . . ?
C70A C71A C72A C73A -9(4) . . . . ?
C71 C72 C73 C74 -0.1(12) . . . . ?
C71A C72A C73A C74A 6(5) . . . . ?
C72 C73 C74 C69 -1.6(11) . . . . ?
C72A C73A C74A C69A 0(4) . . . . ?
C74 C69 C70 C71 -2.5(11) . . . . ?
C74A C69A C70A C71A -1(5) . . . . ?

_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 -0.043 0.250 -0.041 741.3 159.5 ?
2 0.043 0.750 -0.244 741.3 162.4 ?
3 0.198 0.010 0.178 8.6 1.2 ?
4 0.198 0.490 0.678 8.6 1.2 ?
5 0.802 -0.010 0.822 8.6 1.0 ?
6 0.802 0.510 0.322 8.6 1.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.419
_oxdiff_exptl_absorpt_empirical_full_min 0.816
####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 2102456'
loop_
_audit_author_name
_audit_author_address
'Di Sun'
;Shandong university
China
;
_audit_update_record             
;
2021-08-10 deposited with the CCDC.	2021-11-02 downloaded from the CCDC.
;
_audit_creation_date             2020-09-28
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C152 H174 Cl2 Cu28 O12 P8 S4'
_chemical_formula_sum            'C152 H174 Cl2 Cu28 O12 P8 S4'
_chemical_formula_weight         4418.92
_chemical_melting_point          ?
_chemical_oxdiff_formula         CuC
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'
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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   18.6379(3)
_cell_length_b                   25.8870(5)
_cell_length_c                   17.9828(4)
_cell_angle_alpha                90
_cell_angle_beta                 108.318(2)
_cell_angle_gamma                90
_cell_volume                     8236.7(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6812
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      76.3520
_cell_measurement_theta_min      3.0050
_shelx_estimated_absorpt_T_max   0.895
_shelx_estimated_absorpt_T_min   0.764
_exptl_absorpt_coefficient_mu    5.682
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.84018
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.68a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.782
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4424
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0469
_diffrn_reflns_av_unetI/netI     0.0425
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            63959
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.503
_diffrn_reflns_theta_min         3.025
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     35.00  65.00   1.00   12.00    --  107.75 -61.00  90.00   30
  2  ω     35.00 105.00   1.00   12.00    --  107.75 -77.00  30.00   70
  3  ω     65.00 105.00   1.00   12.00    --  107.75-125.00 -30.00   40
  4  ω     68.00 100.00   1.00   12.00    --  107.75 -97.00-102.00   32
  5  ω     40.00  80.00   1.00    1.50    --   48.45 -97.00-102.00   40
  6  ω     35.00 108.00   1.00   12.00    --  107.75-125.00   0.00   73
  7  ω     41.00 105.00   1.00   12.00    --  107.75 -77.00 -30.00   64
  8  ω     35.00  61.00   1.00   12.00    --  107.75-125.00 -30.00   26
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_specimen_support 'Mitegen 50um'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0260510000
_diffrn_orient_matrix_UB_12      -0.0367994000
_diffrn_orient_matrix_UB_13      0.0539003000
_diffrn_orient_matrix_UB_21      0.0161323000
_diffrn_orient_matrix_UB_22      0.0423159000
_diffrn_orient_matrix_UB_23      0.0634970000
_diffrn_orient_matrix_UB_31      -0.0814037000
_diffrn_orient_matrix_UB_32      0.0200071000
_diffrn_orient_matrix_UB_33      -0.0349770000
_diffrn_radiation_collimation    0.3
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_current           24.0
_diffrn_source_power             1.2
_diffrn_source_target            Mo
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13621
_reflns_number_total             16616
_reflns_odcompleteness_completeness 54.36
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     74.33
_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       'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         0.716
_refine_diff_density_min         -0.972
_refine_diff_density_rms         0.084
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1598
_refine_ls_number_reflns         16616
_refine_ls_number_restraints     701
_refine_ls_R_factor_all          0.0560
_refine_ls_R_factor_gt           0.0432
_refine_ls_restrained_S_all      1.058
_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)+(0.0407P)²+17.1109P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1011
_refine_ls_wR_factor_ref         0.1079
_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
 C7-C4 = C7-C9 = C7-C8 = C7-C9A = C7-C8A
 1.55 with sigma of 0.01
 C26A-C27A
 1.39 with sigma of 0.01
 C60-C59
 1.39 with sigma of 0.01
 C59-C64
 1.39 with sigma of 0.01
 C62-C61
 1.39 with sigma of 0.01
 C63-C64
 1.39 with sigma of 0.01
 C61-C60
 1.39 with sigma of 0.01
 C62-C63
 1.39 with sigma of 0.01
 C30A-C25A
 1.39 with sigma of 0.01
 C27A-C28A
 1.39 with sigma of 0.01
 C26A-C25A
 1.39 with sigma of 0.01
 C29A-C30A
 1.39 with sigma of 0.01
 C28A-C29A
 1.39 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C59 \\sim C60 \\sim C61 \\sim C62 \\sim C63 \\sim C64: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008 within 2A
C71 \\sim C72: within 2A with sigma of 0.004 and sigma for terminal atoms of
0.008 within 2A
C10 \\sim C11A \\sim C12A \\sim C13A \\sim C14A \\sim C15A \\sim C16A \\sim
C17A \\sim C18A: within 2A with sigma of 0.004 and sigma for terminal atoms of
0.008 within 2A
C19 \\sim C20 \\sim C21 \\sim C22 \\sim C23 \\sim C24: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008 within 2A
C19A \\sim C20A \\sim C21A \\sim C22A \\sim C23A \\sim C24A: within 2A with
sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
C51 \\sim C52 \\sim C53 \\sim C54 \\sim C55 \\sim C56: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008 within 2A
C51A \\sim C52A \\sim C53A \\sim C54A \\sim C55A \\sim C56A: within 2A with
sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
P1 \\sim P2 \\sim C19 \\sim C20 \\sim C21 \\sim C22 \\sim C23 \\sim C24 \\sim
C25 \\sim C26 \\sim C27 \\sim C28 \\sim C29 \\sim C30 \\sim C31 \\sim C32 \\sim
C33 \\sim C34 \\sim C35 \\sim C36 \\sim C37 \\sim C38 \\sim C39 \\sim C40 \\sim
C41 \\sim C42 \\sim C43 \\sim C44: within 2A with sigma of 0.004 and sigma for
terminal atoms of 0.008 within 2A
P1A \\sim P2A \\sim C19A \\sim C20A \\sim C21A \\sim C22A \\sim C23A \\sim C24A
\\sim C25A \\sim C26A \\sim C27A \\sim C28A \\sim C29A \\sim C30A \\sim C31A
\\sim C32A \\sim C33A \\sim C34A \\sim C35A \\sim C36A \\sim C37A \\sim C38A
\\sim C39A \\sim C40A \\sim C41A \\sim C42A \\sim C43A \\sim C44A: within 2A
with sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
C1 \\sim C2A \\sim C3A \\sim C4 \\sim C5 \\sim C5A \\sim C6 \\sim C6A \\sim C7
\\sim C8 \\sim C8A \\sim C9 \\sim C9A: within 2A with sigma of 0.004 and sigma
for terminal atoms of 0.008 within 2A
O1A \\sim O2A \\sim C71A \\sim C72A: within 2A with sigma of 0.004 and sigma
for terminal atoms of 0.008 within 2A
4. Others
 Fixed Sof: P1(0.5) P1A(0.5) P2(0.5) P2A(0.5) P4(0.5) P4A(0.5) O1(0.5)
 O1A(0.5) O2(0.5) O2A(0.5) C2(0.5) H2(0.5) C2A(0.5) H2A(0.5) C3(0.5) H3(0.5)
 C3A(0.5) H3A(0.5) C5(0.5) H5(0.5) C5A(0.5) H5A(0.5) C6(0.5) H6(0.5) C6A(0.5)
 H6AA(0.5) H6AB(0.5) H7A(0.5) H7B(0.5) C8(0.5) H8A(0.5) H8C(0.5) H8B(0.5)
 C8A(0.5) H8AA(0.5) H8AC(0.5) H8AB(0.5) C9(0.5) H9A(0.5) H9B(0.5) H9C(0.5)
 C9A(0.5) H9AA(0.5) H9AB(0.5) H9AC(0.5) C11(0.5) H11(0.5) C11A(0.5) H11A(0.5)
 C12(0.5) H12(0.5) C12A(0.5) H12A(0.5) C13(0.5) C13A(0.5) C14(0.5) H14(0.5)
 C14A(0.5) H14A(0.5) C15(0.5) H15(0.5) C15A(0.5) H15A(0.5) C16(0.5) H16(0.5)
 C16A(0.5) H16A(0.5) C17(0.5) H17A(0.5) H17B(0.5) H17C(0.5) C17A(0.5) H17D(0.5)
 H17E(0.5) H17F(0.5) C18(0.5) H18A(0.5) H18B(0.5) H18C(0.5) C18A(0.5) H18D(0.5)
 H18E(0.5) H18F(0.5) C19A(0.5) C20A(0.5) H20A(0.5) C21(0.5) H21(0.5) C22(0.5)
 H22(0.5) C23(0.5) H23(0.5) C24(0.5) H24(0.5) C19(0.5) C20(0.5) H20(0.5)
 C21A(0.5) H21A(0.5) C22A(0.5) H22A(0.5) C23A(0.5) H23A(0.5) C24A(0.5)
 H24A(0.5) C25(0.5) C25A(0.5) C26(0.5) H26(0.5) C26A(0.5) H26A(0.5) C27(0.5)
 H27(0.5) C27A(0.5) H27A(0.5) C28(0.5) H28(0.5) C28A(0.5) H28A(0.5) C29(0.5)
 H29(0.5) C29A(0.5) H29A(0.5) C30(0.5) H30(0.5) C30A(0.5) H30A(0.5) C31(0.5)
 H31A(0.5) H31B(0.5) C31A(0.5) H31C(0.5) H31D(0.5) C32(0.5) H32A(0.5) H32B(0.5)
 C32A(0.5) H32C(0.5) H32D(0.5) C33(0.5) C33A(0.5) C34(0.5) H34(0.5) C34A(0.5)
 H34A(0.5) C35(0.5) H35(0.5) C35A(0.5) H35A(0.5) C36(0.5) H36(0.5) C36A(0.5)
 H36A(0.5) C37(0.5) H37(0.5) C37A(0.5) H37A(0.5) C38(0.5) H38(0.5) C38A(0.5)
 H38A(0.5) C39(0.5) C39A(0.5) C40(0.5) H40(0.5) C40A(0.5) H40A(0.5) C41(0.5)
 H41(0.5) C41A(0.5) H41A(0.5) C42(0.5) H42(0.5) C42A(0.5) H42A(0.5) C43(0.5)
 H43(0.5) C43A(0.5) H43A(0.5) C44(0.5) H44(0.5) C44A(0.5) H44A(0.5) C46(0.5)
 H46(0.5) C46A(0.5) H46A(0.5) C47(0.5) H47(0.5) C47A(0.5) H47A(0.5) C48(0.5)
 H48(0.5) C48A(0.5) H48A(0.5) C49(0.5) H49(0.5) C49A(0.5) H49A(0.5) H50(0.5)
 H50A(0.5) C51(0.66667) C51A(0.33333) C52(0.66667) H52(0.66667) C52A(0.33333)
 H52A(0.33333) C53(0.66667) H53(0.66667) C53A(0.33333) H53A(0.33333)
 C54(0.66667) H54(0.66667) C54A(0.33333) H54A(0.33333) C55(0.66667)
 H55(0.66667) C55A(0.33333) H55A(0.33333) C56(0.66667) H56(0.66667)
 C56A(0.33333) H56A(0.33333) C57(0.5) H57B(0.5) H57A(0.5) C57A(0.5) H57C(0.5)
 H57D(0.5) C58(0.5) H58A(0.5) H58B(0.5) C58A(0.5) H58C(0.5) H58D(0.5) C59(0.5)
 C59A(0.5) C60(0.5) H60(0.5) C60A(0.5) H60A(0.5) C61(0.5) H61(0.5) C61A(0.5)
 H61A(0.5) C62(0.5) H62(0.5) C62A(0.5) H62A(0.5) C63(0.5) H63(0.5) C63A(0.5)
 C64(0.5) H64(0.5) C64A(0.5) H64A(0.5) C65(0.5) C65A(0.5) C66(0.5) H66(0.5)
 C66A(0.5) H66A(0.5) C67(0.5) H67(0.5) C67A(0.5) H67A(0.5) C68(0.5) H68(0.5)
 C68A(0.5) H68A(0.5) C69(0.5) H69(0.5) C69A(0.5) H69A(0.5) C70(0.5) H70(0.5)
 C70A(0.5) H70A(0.5) C71(0.5) C71A(0.5) C72(0.5) H72A(0.5) H72B(0.5) H72C(0.5)
 C72A(0.5) H72F(0.5) H72D(0.5) H72E(0.5)
5.a Ternary CH refined with riding coordinates:
 C7(H7A), C7(H7B), C16(H16), C16A(H16A)
5.b Secondary CH2 refined with riding coordinates:
 C6A(H6AA,H6AB), C31(H31A,H31B), C31A(H31C,H31D), C32(H32A,H32B), C32A(H32C,
 H32D), C57(H57B,H57A), C57A(H57C,H57D), C58(H58A,H58B), C58A(H58C,H58D)
5.c Me refined with riding coordinates:
 C76(H76A,H76B,H76C)
5.d Aromatic/amide H refined with riding coordinates:
 C2(H2), C2A(H2A), C3(H3), C3A(H3A), C5(H5), C5A(H5A), C6(H6), C11(H11),
 C11A(H11A), C12(H12), C12A(H12A), C14(H14), C14A(H14A), C15(H15), C15A(H15A),
 C20A(H20A), C21(H21), C22(H22), C23(H23), C24(H24), C20(H20), C21A(H21A),
 C22A(H22A), C23A(H23A), C24A(H24A), C26(H26), C26A(H26A), C27(H27), C27A(H27A),
  C28(H28), C28A(H28A), C29(H29), C29A(H29A), C30(H30), C30A(H30A), C34(H34),
 C34A(H34A), C35(H35), C35A(H35A), C36(H36), C36A(H36A), C37(H37), C37A(H37A),
 C38(H38), C38A(H38A), C40(H40), C40A(H40A), C41(H41), C41A(H41A), C42(H42),
 C42A(H42A), C43(H43), C43A(H43A), C44(H44), C44A(H44A), C46(H46), C46A(H46A),
 C47(H47), C47A(H47A), C48(H48), C48A(H48A), C49(H49), C49A(H49A), C50(H50),
 C50(H50A), C52(H52), C52A(H52A), C53(H53), C53A(H53A), C54(H54), C54A(H54A),
 C55(H55), C55A(H55A), C56(H56), C56A(H56A), C60(H60), C60A(H60A), C61(H61),
 C61A(H61A), C62(H62), C62A(H62A), C63(H63), C64(H64), C64A(H64A), C66(H66),
 C66A(H66A), C67(H67), C67A(H67A), C68(H68), C68A(H68A), C69(H69), C69A(H69A),
 C70(H70), C70A(H70A)
5.e Fitted hexagon refined as free rotating group:
 C21(C22,C23,C24,C19,C20)
5.f Idealised Me refined as rotating group:
 C8(H8A,H8C,H8B), C8A(H8AA,H8AC,H8AB), C9(H9A,H9B,H9C), C9A(H9AA,H9AB,H9AC),
 C17(H17A,H17B,H17C), C17A(H17D,H17E,H17F), C18(H18A,H18B,H18C), C18A(H18D,H18E,
 H18F), C72(H72A,H72B,H72C), C72A(H72F,H72D,H72E), C74(H74A,H74B,H74C)
;
_atom_sites_solution_hydrogens   mixed
_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
Cu1 Cu 0.00309(3) 0.53328(2) 0.45398(3) 0.02755(11) Uani 1 1 d . . . . .
HH H 0.004(4) 0.579(3) 0.386(4) 0.10(2) Uiso 1 1 d . . . . .
HA H 0.058(4) 0.525(3) 0.562(4) 0.09(2) Uiso 1 1 d . . . . .
Cu2 Cu 0.02846(3) 0.63037(2) 0.46466(3) 0.03282(12) Uani 1 1 d . . . . .
HB H -0.005(3) 0.377(2) 0.452(3) 0.053(14) Uiso 1 1 d . . . . .
Cu3 Cu 0.04241(3) 0.56428(2) 0.60482(3) 0.03229(12) Uani 1 1 d . . . . .
HC H 0.127(3) 0.5900(19) 0.669(3) 0.048(13) Uiso 1 1 d . . . . .
HD H -0.002(3) 0.459(2) 0.329(3) 0.063(16) Uiso 1 1 d . . . . .
Cu4 Cu -0.01954(4) 0.52735(3) 0.30860(3) 0.04404(15) Uani 1 1 d . . . . .
Cu5 Cu 0.08793(4) 0.46848(2) 0.38589(4) 0.04211(15) Uani 1 1 d . . . . .
HE H 0.156(2) 0.5058(18) 0.451(3) 0.043(12) Uiso 1 1 d . . . . .
Cu6 Cu 0.23265(3) 0.55610(2) 0.52662(4) 0.04299(15) Uani 1 1 d . . . . .
HF H 0.215(4) 0.517(3) 0.602(4) 0.10(2) Uiso 1 1 d . . . . .
Cu7 Cu 0.10884(3) 0.56668(2) 0.40600(4) 0.03772(14) Uani 1 1 d . . . . .
Cu8 Cu -0.09784(3) 0.59090(2) 0.36794(4) 0.04064(14) Uani 1 1 d . . . . .
HG H 0.157(3) 0.427(2) 0.569(4) 0.071(17) Uiso 1 1 d . . . . .
Cu9 Cu 0.22573(3) 0.45666(3) 0.65886(5) 0.05252(19) Uani 1 1 d . . . . .
Cu10 Cu 0.13513(3) 0.48986(2) 0.53400(3) 0.03241(12) Uani 1 1 d . . . . .
Cu11 Cu 0.19609(3) 0.55912(2) 0.65419(4) 0.03592(13) Uani 1 1 d . . . . .
Cu12 Cu 0.11715(3) 0.64710(2) 0.60793(3) 0.03494(13) Uani 1 1 d . . . . .
Cu13 Cu 0.08209(3) 0.39678(2) 0.48736(4) 0.03677(13) Uani 1 1 d . . . . .
Cu14 Cu 0.11454(3) 0.54778(2) 0.74834(3) 0.03678(13) Uani 1 1 d . . . . .
Cl1 Cl 0.30508(8) 0.59066(6) 0.73305(10) 0.0782(5) Uani 1 1 d . . . . .
S1 S 0.16187(5) 0.62948(3) 0.50471(6) 0.03256(19) Uani 1 1 d . . . . .
S2 S 0.15303(6) 0.46454(4) 0.73972(6) 0.0470(3) Uani 1 1 d . . . . .
P1 P 0.3442(4) 0.5457(2) 0.5096(3) 0.0627(12) Uani 0.5 1 d . U P A 1
P1A P 0.3512(3) 0.53692(17) 0.5328(3) 0.0475(9) Uani 0.5 1 d . U P A 2
P2 P 0.34512(12) 0.42620(10) 0.66621(16) 0.0384(4) Uani 0.5 1 d . U P A 1
P2A P 0.34175(13) 0.43501(9) 0.7107(2) 0.0480(5) Uani 0.5 1 d . U P A 2
P3 P 0.12711(6) 0.71407(4) 0.68818(6) 0.0375(2) Uani 1 1 d . . . . .
P4 P 0.14210(18) 0.59447(9) 0.84991(13) 0.0345(5) Uani 0.5 1 d . . P B 1
P4A P 0.10469(17) 0.60329(10) 0.84625(14) 0.0343(5) Uani 0.5 1 d . . P B 2
O1 O 0.1374(8) 0.3592(5) 0.4184(6) 0.056(3) Uani 0.5 1 d . . P C 1
O1A O 0.1485(6) 0.3523(4) 0.4527(6) 0.0476(19) Uani 0.5 1 d . U P C 2
O2 O 0.1409(6) 0.4237(4) 0.3387(6) 0.056(2) Uani 0.5 1 d . . P C 1
O2A O 0.1632(5) 0.4115(4) 0.3690(6) 0.0482(18) Uani 0.5 1 d . U P C 2
O3 O 0.13238(18) 0.57826(12) 0.30629(19) 0.0479(7) Uani 1 1 d . . . . .
O4 O 0.0266(2) 0.54280(12) 0.22647(18) 0.0486(7) Uani 1 1 d . . . . .
O5 O -0.01150(17) 0.69733(11) 0.41437(18) 0.0421(6) Uani 1 1 d . . . . .
O6 O -0.12140(17) 0.66459(11) 0.33845(19) 0.0463(7) Uani 1 1 d . . . . .
C1 C 0.1907(3) 0.4310(2) 0.8308(3) 0.0584(11) Uani 1 1 d . U . . .
C2 C 0.2458(5) 0.3902(4) 0.8340(7) 0.054(3) Uani 0.5 1 d . . P D 1
H2 H 0.258141 0.380042 0.788725 0.064 Uiso 0.5 1 calc R U P D 1
C2A C 0.2099(8) 0.3811(5) 0.8358(7) 0.0669(19) Uani 0.5 1 d . U P D 2
H2A H 0.199813 0.361511 0.788910 0.080 Uiso 0.5 1 calc R U P D 2
C3 C 0.2792(6) 0.3671(5) 0.9064(7) 0.063(3) Uani 0.5 1 d . . P D 1
H3 H 0.315519 0.340440 0.911270 0.076 Uiso 0.5 1 calc R U P D 1
C3A C 0.2444(9) 0.3567(6) 0.9077(8) 0.072(2) Uani 0.5 1 d . U P D 2
H3A H 0.257453 0.321162 0.908855 0.087 Uiso 0.5 1 calc R U P D 2
C4 C 0.2591(4) 0.3832(2) 0.9748(3) 0.0742(12) Uani 1 1 d D U . . .
C5 C 0.2060(7) 0.4257(6) 0.9633(8) 0.0652(15) Uani 0.5 1 d . U P D 1
H5 H 0.193172 0.439043 1.006725 0.078 Uiso 0.5 1 calc R U P D 1
C5A C 0.2346(7) 0.4293(6) 0.9761(8) 0.0652(15) Uani 0.5 1 d . U P D 2
H5A H 0.243746 0.446916 1.024572 0.078 Uiso 0.5 1 calc R U P D 2
C6 C 0.1736(8) 0.4469(6) 0.8892(8) 0.0622(15) Uani 0.5 1 d . U P D 1
H6 H 0.137761 0.474051 0.882545 0.075 Uiso 0.5 1 calc R U P D 1
C6A C 0.1938(8) 0.4538(6) 0.9050(8) 0.0612(15) Uani 0.5 1 d . U P D 2
H6AA H 0.214999 0.489016 0.906174 0.073 Uiso 0.5 1 calc R U P D 2
H6AB H 0.141102 0.457960 0.905219 0.073 Uiso 0.5 1 calc R U P D 2
C7 C 0.3001(4) 0.3565(3) 1.0541(4) 0.0898(16) Uani 1 1 d D U . . .
H7A H 0.310030 0.319867 1.042876 0.108 Uiso 0.5 1 calc R U P E 1
H7B H 0.338673 0.331628 1.047523 0.108 Uiso 0.5 1 calc R U P F 2
C8 C 0.3786(7) 0.3842(6) 1.0884(9) 0.096(3) Uani 0.5 1 d D U P G 1
H8A H 0.409065 0.378313 1.053601 0.143 Uiso 0.5 1 calc R U P G 1
H8C H 0.405073 0.370280 1.140451 0.143 Uiso 0.5 1 calc R U P G 1
H8B H 0.370630 0.421416 1.092457 0.143 Uiso 0.5 1 calc R U P G 1
C8A C 0.3379(10) 0.3955(6) 1.1204(8) 0.102(3) Uani 0.5 1 d D U P G 2
H8AA H 0.298948 0.417399 1.130315 0.153 Uiso 0.5 1 calc R U P G 2
H8AC H 0.373707 0.417082 1.104578 0.153 Uiso 0.5 1 calc R U P G 2
H8AB H 0.364737 0.376560 1.168282 0.153 Uiso 0.5 1 calc R U P G 2
C9 C 0.2529(8) 0.3560(7) 1.1093(8) 0.096(3) Uani 0.5 1 d D U P G 1
H9A H 0.282007 0.340012 1.159064 0.144 Uiso 0.5 1 calc R U P G 1
H9B H 0.206660 0.336020 1.085625 0.144 Uiso 0.5 1 calc R U P G 1
H9C H 0.239677 0.391439 1.118737 0.144 Uiso 0.5 1 calc R U P G 1
C9A C 0.2389(7) 0.3270(6) 1.0814(8) 0.086(3) Uani 0.5 1 d D U P G 2
H9AA H 0.263312 0.310261 1.131931 0.129 Uiso 0.5 1 calc R U P G 2
H9AB H 0.214484 0.300755 1.042376 0.129 Uiso 0.5 1 calc R U P G 2
H9AC H 0.200901 0.351569 1.086842 0.129 Uiso 0.5 1 calc R U P G 2
C10 C 0.2163(2) 0.67900(18) 0.4787(3) 0.0498(10) Uani 1 1 d . U . . .
C11 C 0.2790(6) 0.6702(4) 0.4645(7) 0.054(2) Uani 0.5 1 d . . P H 2
H11 H 0.291727 0.635589 0.456472 0.065 Uiso 0.5 1 calc R U P H 2
C11A C 0.2452(5) 0.6632(4) 0.4077(7) 0.0453(14) Uani 0.5 1 d . U P H -1
H11A H 0.225885 0.633689 0.376495 0.054 Uiso 0.5 1 calc R U P H -1
C12 C 0.3290(6) 0.7098(5) 0.4604(8) 0.059(3) Uani 0.5 1 d . . P H 2
H12 H 0.369886 0.702850 0.441101 0.070 Uiso 0.5 1 calc R U P H 2
C12A C 0.2994(5) 0.6942(4) 0.3932(7) 0.0510(15) Uani 0.5 1 d . U P H -1
H12A H 0.319057 0.684638 0.352408 0.061 Uiso 0.5 1 calc R U P H -1
C13 C 0.3186(6) 0.7582(4) 0.4843(6) 0.040(2) Uani 0.5 1 d . . P H 2
C13A C 0.3264(6) 0.7387(5) 0.4357(8) 0.0568(16) Uani 0.5 1 d . U P H -1
C14 C 0.2560(6) 0.7700(4) 0.5040(5) 0.0418(19) Uani 0.5 1 d . . P H 2
H14 H 0.246728 0.804630 0.515733 0.050 Uiso 0.5 1 calc R U P H 2
C14A C 0.2914(8) 0.7532(6) 0.4914(9) 0.053(2) Uani 0.5 1 d . U P H -1
H14A H 0.306227 0.784444 0.519657 0.064 Uiso 0.5 1 calc R U P H -1
C15 C 0.2043(5) 0.7303(4) 0.5072(5) 0.038(2) Uani 0.5 1 d . . P H 2
H15 H 0.163553 0.736756 0.527001 0.045 Uiso 0.5 1 calc R U P H 2
C15A C 0.2366(6) 0.7234(4) 0.5058(8) 0.0488(18) Uani 0.5 1 d . U P H -1
H15A H 0.211501 0.737534 0.539609 0.059 Uiso 0.5 1 calc R U P H -1
C16 C 0.3791(6) 0.8007(4) 0.4903(6) 0.057(3) Uani 0.5 1 d . . P H 2
H16 H 0.359277 0.833552 0.505613 0.068 Uiso 0.5 1 calc R U P H 2
C16A C 0.3933(6) 0.7679(5) 0.4233(9) 0.071(2) Uani 0.5 1 d . U P H -1
H16A H 0.391784 0.756963 0.369465 0.086 Uiso 0.5 1 calc R U P H -1
C17 C 0.4515(7) 0.7870(6) 0.5558(7) 0.078(4) Uani 0.5 1 d . . P H 2
H17A H 0.439437 0.780193 0.604189 0.117 Uiso 0.5 1 calc R U P H 2
H17B H 0.487047 0.815977 0.564275 0.117 Uiso 0.5 1 calc R U P H 2
H17C H 0.474351 0.756219 0.541075 0.117 Uiso 0.5 1 calc R U P H 2
C17A C 0.3791(16) 0.8226(11) 0.415(2) 0.077(5) Uani 0.5 1 d . U P H -1
H17D H 0.334339 0.828895 0.369093 0.116 Uiso 0.5 1 calc R U P H -1
H17E H 0.422873 0.839993 0.406677 0.116 Uiso 0.5 1 calc R U P H -1
H17F H 0.370312 0.836228 0.461777 0.116 Uiso 0.5 1 calc R U P H -1
C18 C 0.3944(12) 0.8107(8) 0.4115(12) 0.054(5) Uani 0.5 1 d . . P H 2
H18A H 0.422383 0.781501 0.399611 0.081 Uiso 0.5 1 calc R U P H 2
H18B H 0.424225 0.842372 0.415641 0.081 Uiso 0.5 1 calc R U P H 2
H18C H 0.346186 0.814610 0.369563 0.081 Uiso 0.5 1 calc R U P H 2
C18A C 0.4650(7) 0.7501(6) 0.4705(11) 0.089(3) Uani 0.5 1 d . U P H -1
H18D H 0.466482 0.749312 0.525444 0.134 Uiso 0.5 1 calc R U P H -1
H18E H 0.504379 0.773432 0.464825 0.134 Uiso 0.5 1 calc R U P H -1
H18F H 0.473817 0.715252 0.453917 0.134 Uiso 0.5 1 calc R U P H -1
C19A C 0.3518(6) 0.5264(4) 0.4285(8) 0.0552(15) Uani 0.5 1 d . U P A 2
C20A C 0.3908(6) 0.5559(4) 0.3846(9) 0.0597(19) Uani 0.5 1 d . U P A 2
H20A H 0.423311 0.582725 0.412008 0.072 Uiso 0.5 1 calc R U P A 2
C21 C 0.4110(6) 0.5668(5) 0.3248(7) 0.096(3) Uani 0.5 1 d G U P A 1
H21 H 0.448651 0.585581 0.310864 0.115 Uiso 0.5 1 calc R U P A 1
C22 C 0.3622(8) 0.5342(5) 0.2707(5) 0.096(3) Uani 0.5 1 d G U P A 1
H22 H 0.366493 0.530686 0.219656 0.116 Uiso 0.5 1 calc R U P A 1
C23 C 0.3071(7) 0.5068(4) 0.2911(6) 0.097(3) Uani 0.5 1 d G U P A 1
H23 H 0.273721 0.484500 0.254088 0.117 Uiso 0.5 1 calc R U P A 1
C24 C 0.3008(6) 0.5120(4) 0.3657(7) 0.087(2) Uani 0.5 1 d G U P A 1
H24 H 0.263107 0.493209 0.379728 0.104 Uiso 0.5 1 calc R U P A 1
C19 C 0.3496(6) 0.5446(4) 0.4199(5) 0.0779(19) Uani 0.5 1 d G U P A 1
C20 C 0.4047(6) 0.5720(4) 0.3995(7) 0.087(2) Uani 0.5 1 d G U P A 1
H20 H 0.438036 0.594290 0.436505 0.105 Uiso 0.5 1 calc R U P A 1
C21A C 0.3858(6) 0.5494(4) 0.3118(10) 0.0624(19) Uani 0.5 1 d . U P A 2
H21A H 0.415083 0.570103 0.288595 0.075 Uiso 0.5 1 calc R U P A 2
C22A C 0.3372(6) 0.5120(4) 0.2675(9) 0.0643(19) Uani 0.5 1 d . U P A 2
H22A H 0.332892 0.506141 0.214098 0.077 Uiso 0.5 1 calc R U P A 2
C23A C 0.2946(6) 0.4831(4) 0.3056(9) 0.0649(19) Uani 0.5 1 d . U P A 2
H23A H 0.259359 0.458323 0.276322 0.078 Uiso 0.5 1 calc R U P A 2
C24A C 0.3027(6) 0.4898(4) 0.3855(8) 0.0611(18) Uani 0.5 1 d . U P A 2
H24A H 0.274254 0.469091 0.409615 0.073 Uiso 0.5 1 calc R U P A 2
C25 C 0.4205(8) 0.5889(7) 0.5628(10) 0.074(2) Uani 0.5 1 d . U P A 1
C25A C 0.4317(6) 0.5782(4) 0.5808(8) 0.0575(17) Uani 0.5 1 d D U P A 2
C26 C 0.4043(8) 0.6369(6) 0.5882(10) 0.080(2) Uani 0.5 1 d . U P A 1
H26 H 0.352919 0.646336 0.578519 0.096 Uiso 0.5 1 calc R U P A 1
C26A C 0.4192(6) 0.6215(4) 0.6193(8) 0.0633(19) Uani 0.5 1 d D U P A 2
H26A H 0.369841 0.629931 0.619981 0.076 Uiso 0.5 1 calc R U P A 2
C27 C 0.4597(8) 0.6714(7) 0.6268(10) 0.089(3) Uani 0.5 1 d . U P A 1
H27 H 0.445652 0.704862 0.638772 0.106 Uiso 0.5 1 calc R U P A 1
C27A C 0.4806(5) 0.6525(5) 0.6571(9) 0.066(2) Uani 0.5 1 d D U P A 2
H27A H 0.473714 0.682587 0.684450 0.079 Uiso 0.5 1 calc R U P A 2
C28 C 0.5341(9) 0.6586(7) 0.6482(12) 0.092(3) Uani 0.5 1 d . U P A 1
H28 H 0.570817 0.682774 0.676685 0.110 Uiso 0.5 1 calc R U P A 1
C28A C 0.5524(6) 0.6393(5) 0.6546(9) 0.064(2) Uani 0.5 1 d D U P A 2
H28A H 0.594806 0.660043 0.680821 0.077 Uiso 0.5 1 calc R U P A 2
C29 C 0.5568(9) 0.6125(8) 0.6299(12) 0.088(3) Uani 0.5 1 d . U P A 1
H29 H 0.608966 0.604883 0.641010 0.106 Uiso 0.5 1 calc R U P A 1
C29A C 0.5616(6) 0.5954(5) 0.6134(9) 0.063(2) Uani 0.5 1 d D U P A 2
H29A H 0.611040 0.585455 0.614809 0.076 Uiso 0.5 1 calc R U P A 2
C30 C 0.5018(9) 0.5763(8) 0.5944(11) 0.082(2) Uani 0.5 1 d . U P A 1
H30 H 0.517144 0.541757 0.590146 0.098 Uiso 0.5 1 calc R U P A 1
C30A C 0.5004(6) 0.5660(5) 0.5705(9) 0.0614(19) Uani 0.5 1 d D U P A 2
H30A H 0.505211 0.539276 0.536262 0.074 Uiso 0.5 1 calc R U P A 2
C31 C 0.3793(7) 0.4825(5) 0.5484(8) 0.0556(17) Uani 0.5 1 d . U P A 1
H31A H 0.340556 0.456242 0.523591 0.067 Uiso 0.5 1 calc R U P A 1
H31B H 0.424979 0.474497 0.533538 0.067 Uiso 0.5 1 calc R U P A 1
C31A C 0.3817(6) 0.4734(4) 0.5813(8) 0.0502(17) Uani 0.5 1 d . U P A 2
H31C H 0.341059 0.447606 0.560448 0.060 Uiso 0.5 1 calc R U P A 2
H31D H 0.427187 0.461261 0.569234 0.060 Uiso 0.5 1 calc R U P A 2
C32 C 0.3988(6) 0.4781(5) 0.6359(7) 0.0469(16) Uani 0.5 1 d . U P A 1
H32A H 0.388089 0.511505 0.657088 0.056 Uiso 0.5 1 calc R U P A 1
H32B H 0.453565 0.471134 0.658727 0.056 Uiso 0.5 1 calc R U P A 1
C32A C 0.3994(6) 0.4777(4) 0.6702(7) 0.0488(16) Uani 0.5 1 d . U P A 2
H32C H 0.391411 0.513911 0.683501 0.059 Uiso 0.5 1 calc R U P A 2
H32D H 0.453454 0.469384 0.695703 0.059 Uiso 0.5 1 calc R U P A 2
C33 C 0.3579(5) 0.3700(4) 0.6120(7) 0.0533(14) Uani 0.5 1 d . U P A 1
C33A C 0.3628(6) 0.3707(4) 0.6865(8) 0.0686(17) Uani 0.5 1 d . U P A 2
C34 C 0.4266(6) 0.3591(4) 0.5998(8) 0.0621(17) Uani 0.5 1 d . U P A 1
H34 H 0.469064 0.380552 0.623215 0.075 Uiso 0.5 1 calc R U P A 1
C34A C 0.3054(6) 0.3385(4) 0.6429(9) 0.075(2) Uani 0.5 1 d . U P A 2
H34A H 0.254701 0.350572 0.627135 0.090 Uiso 0.5 1 calc R U P A 2
C35 C 0.4340(7) 0.3176(5) 0.5543(8) 0.0719(19) Uani 0.5 1 d . U P A 1
H35 H 0.481018 0.310889 0.546079 0.086 Uiso 0.5 1 calc R U P A 1
C35A C 0.3201(7) 0.2897(5) 0.6219(10) 0.086(2) Uani 0.5 1 d . U P A 2
H35A H 0.280331 0.269374 0.588795 0.103 Uiso 0.5 1 calc R U P A 2
C36 C 0.3753(7) 0.2875(5) 0.5223(9) 0.078(2) Uani 0.5 1 d . U P A 1
H36 H 0.381185 0.258799 0.491826 0.093 Uiso 0.5 1 calc R U P A 1
C36A C 0.3913(7) 0.2704(5) 0.6484(10) 0.094(2) Uani 0.5 1 d . U P A 2
H36A H 0.401037 0.236085 0.635369 0.113 Uiso 0.5 1 calc R U P A 2
C37 C 0.3064(7) 0.2964(5) 0.5316(9) 0.078(2) Uani 0.5 1 d . U P A 1
H37 H 0.264687 0.274603 0.506911 0.093 Uiso 0.5 1 calc R U P A 1
C37A C 0.4484(7) 0.3000(5) 0.6934(10) 0.095(2) Uani 0.5 1 d . U P A 2
H37A H 0.498139 0.286243 0.711971 0.114 Uiso 0.5 1 calc R U P A 2
C38 C 0.2980(6) 0.3380(5) 0.5782(9) 0.0680(19) Uani 0.5 1 d . U P A 1
H38 H 0.250668 0.343980 0.586248 0.082 Uiso 0.5 1 calc R U P A 1
C38A C 0.4352(7) 0.3499(5) 0.7127(10) 0.087(2) Uani 0.5 1 d . U P A 2
H38A H 0.475955 0.370268 0.744115 0.105 Uiso 0.5 1 calc R U P A 2
C39 C 0.4033(6) 0.4129(4) 0.7672(6) 0.0566(15) Uani 0.5 1 d . U P A 1
C39A C 0.3892(15) 0.4418(9) 0.8159(15) 0.0669(18) Uani 0.5 1 d . U P A 2
C40 C 0.4428(7) 0.3687(5) 0.7904(8) 0.076(2) Uani 0.5 1 d . U P A 1
H40 H 0.442186 0.342804 0.752815 0.091 Uiso 0.5 1 calc R U P A 1
C40A C 0.4002(7) 0.4005(5) 0.8703(8) 0.078(2) Uani 0.5 1 d . U P A 2
H40A H 0.387590 0.366350 0.851343 0.093 Uiso 0.5 1 calc R U P A 2
C41 C 0.4843(8) 0.3607(6) 0.8690(9) 0.085(2) Uani 0.5 1 d . U P A 1
H41 H 0.513681 0.330222 0.884317 0.101 Uiso 0.5 1 calc R U P A 1
C41A C 0.4295(8) 0.4090(5) 0.9522(9) 0.083(2) Uani 0.5 1 d . U P A 2
H41A H 0.441115 0.380464 0.987212 0.099 Uiso 0.5 1 calc R U P A 2
C42 C 0.4827(8) 0.3951(6) 0.9212(9) 0.084(2) Uani 0.5 1 d . U P A 1
H42 H 0.511367 0.389177 0.974399 0.101 Uiso 0.5 1 calc R U P A 1
C42A C 0.4407(8) 0.4578(5) 0.9802(9) 0.081(2) Uani 0.5 1 d . U P A 2
H42A H 0.460592 0.463791 1.034997 0.097 Uiso 0.5 1 calc R U P A 2
C43 C 0.4422(7) 0.4386(6) 0.9027(8) 0.081(2) Uani 0.5 1 d . U P A 1
H43 H 0.445353 0.463545 0.942295 0.097 Uiso 0.5 1 calc R U P A 1
C43A C 0.4235(8) 0.4982(6) 0.9297(8) 0.081(2) Uani 0.5 1 d . U P A 2
H43A H 0.430012 0.532493 0.949390 0.098 Uiso 0.5 1 calc R U P A 2
C44 C 0.3946(15) 0.4482(10) 0.8255(13) 0.069(2) Uani 0.5 1 d . U P A 1
H44 H 0.359503 0.475911 0.813160 0.083 Uiso 0.5 1 calc R U P A 1
C44A C 0.3968(7) 0.4900(5) 0.8502(8) 0.075(2) Uani 0.5 1 d . U P A 2
H44A H 0.382720 0.519286 0.816967 0.090 Uiso 0.5 1 calc R U P A 2
C45 C 0.2111(3) 0.7533(2) 0.7061(4) 0.0694(17) Uani 1 1 d . . . . .
C46 C 0.2056(5) 0.8083(3) 0.6839(7) 0.051(2) Uani 0.5 1 d . . P I 1
H46 H 0.157402 0.824420 0.668517 0.061 Uiso 0.5 1 calc R U P I 1
C46A C 0.2136(6) 0.8006(4) 0.7543(6) 0.051(2) Uani 0.5 1 d . . P I -2
H46A H 0.171032 0.811460 0.768618 0.062 Uiso 0.5 1 calc R U P I -2
C47 C 0.2688(6) 0.8374(4) 0.6845(8) 0.061(3) Uani 0.5 1 d . . P I 1
H47 H 0.264325 0.873786 0.677165 0.073 Uiso 0.5 1 calc R U P I 1
C47A C 0.2805(7) 0.8277(4) 0.7770(7) 0.061(3) Uani 0.5 1 d . . P I -2
H47A H 0.282483 0.860711 0.800767 0.073 Uiso 0.5 1 calc R U P I -2
C48 C 0.3373(5) 0.8138(4) 0.6958(7) 0.054(2) Uani 0.5 1 d . . P I 1
H48 H 0.380502 0.833753 0.697151 0.065 Uiso 0.5 1 calc R U P I 1
C48A C 0.3449(6) 0.8073(4) 0.7655(7) 0.063(3) Uani 0.5 1 d . . P I -2
H48A H 0.390333 0.826876 0.778306 0.075 Uiso 0.5 1 calc R U P I -2
C49 C 0.3429(12) 0.7614(8) 0.7051(11) 0.050(4) Uani 0.5 1 d . . P I 1
H49 H 0.389660 0.744728 0.710636 0.060 Uiso 0.5 1 calc R U P I 1
C49A C 0.3418(17) 0.7573(11) 0.7347(13) 0.073(6) Uani 0.5 1 d . . P I -2
H49A H 0.387626 0.741495 0.734017 0.088 Uiso 0.5 1 calc R U P I -2
C50 C 0.2780(3) 0.73120(18) 0.7064(3) 0.0504(11) Uani 1 1 d . . . . .
H50 H 0.278504 0.697279 0.686455 0.060 Uiso 0.5 1 calc R U P I -2
H50A H 0.281895 0.694605 0.707576 0.060 Uiso 0.5 1 calc R U P I 1
C51 C 0.0504(6) 0.7568(3) 0.6746(6) 0.0530(16) Uani 0.6667 1 d . U P J 1
C51A C 0.0509(8) 0.7659(5) 0.6473(8) 0.0301(18) Uani 0.3333 1 d . U P J 2
C52 C 0.0484(6) 0.7955(3) 0.7283(6) 0.0568(15) Uani 0.6667 1 d . U P J 1
H52 H 0.090362 0.800403 0.774181 0.068 Uiso 0.6667 1 calc R U P J 1
C52A C 0.0258(6) 0.7760(4) 0.5695(6) 0.0290(16) Uani 0.3333 1 d . U P J 2
H52A H 0.042739 0.755358 0.534557 0.035 Uiso 0.3333 1 calc R U P J 2
C53 C -0.0139(5) 0.8262(3) 0.7148(6) 0.0629(15) Uani 0.6667 1 d . U P J 1
H53 H -0.012766 0.854206 0.749199 0.076 Uiso 0.6667 1 calc R U P J 1
C53A C -0.0244(7) 0.8162(4) 0.5404(7) 0.0340(17) Uani 0.3333 1 d . U P J 2
H53A H -0.040538 0.823675 0.485922 0.041 Uiso 0.3333 1 calc R U P J 2
C54 C -0.0764(6) 0.8179(3) 0.6546(6) 0.0652(15) Uani 0.6667 1 d . U P J 1
H54 H -0.118872 0.839991 0.646364 0.078 Uiso 0.6667 1 calc R U P J 1
C54A C -0.0514(7) 0.8457(4) 0.5912(7) 0.0356(17) Uani 0.3333 1 d . U P J 2
H54A H -0.085471 0.873383 0.571583 0.043 Uiso 0.3333 1 calc R U P J 2
C55 C -0.0790(5) 0.7767(3) 0.6037(6) 0.0648(15) Uani 0.6667 1 d . U P J 1
H55 H -0.123918 0.769379 0.562128 0.078 Uiso 0.6667 1 calc R U P J 1
C55A C -0.0287(8) 0.8345(5) 0.6676(8) 0.0361(18) Uani 0.3333 1 d . U P J 2
H55A H -0.046682 0.854978 0.701842 0.043 Uiso 0.3333 1 calc R U P J 2
C56 C -0.0136(5) 0.7462(3) 0.6154(5) 0.0558(14) Uani 0.6667 1 d . U P J 1
H56 H -0.014428 0.717932 0.581397 0.067 Uiso 0.6667 1 calc R U P J 1
C56A C 0.0198(8) 0.7942(5) 0.6982(9) 0.0342(19) Uani 0.3333 1 d . U P J 2
H56A H 0.032349 0.785400 0.752114 0.041 Uiso 0.3333 1 calc R U P J 2
C57 C 0.1574(6) 0.6934(3) 0.7945(5) 0.0391(18) Uani 0.5 1 d . . P B 1
H57B H 0.197790 0.667073 0.803930 0.047 Uiso 0.5 1 calc R U P B 1
H57A H 0.177710 0.723479 0.828558 0.047 Uiso 0.5 1 calc R U P B 1
C57A C 0.1055(7) 0.6901(4) 0.7757(6) 0.045(2) Uani 0.5 1 d . . P B 2
H57C H 0.096576 0.719521 0.806759 0.054 Uiso 0.5 1 calc R U P B 2
H57D H 0.059430 0.668439 0.759583 0.054 Uiso 0.5 1 calc R U P B 2
C58 C 0.0893(5) 0.6708(3) 0.8144(5) 0.0370(17) Uani 0.5 1 d . . P B 1
H58A H 0.043123 0.668908 0.768397 0.044 Uiso 0.5 1 calc R U P B 1
H58B H 0.078496 0.689345 0.857912 0.044 Uiso 0.5 1 calc R U P B 1
C58A C 0.1723(5) 0.6585(3) 0.8244(5) 0.0413(18) Uani 0.5 1 d . . P B 2
H58C H 0.203222 0.676589 0.872211 0.050 Uiso 0.5 1 calc R U P B 2
H58D H 0.204626 0.645577 0.793970 0.050 Uiso 0.5 1 calc R U P B 2
C59 C 0.2237(10) 0.5765(13) 0.9302(9) 0.078(3) Uani 0.5 1 d D U P B 1
C59A C 0.1798(5) 0.6079(4) 0.9391(5) 0.0437(19) Uani 0.5 1 d . . P B 2
C60 C 0.2902(6) 0.5667(6) 0.9135(7) 0.078(2) Uani 0.5 1 d D U P B 1
H60 H 0.290846 0.569681 0.861028 0.094 Uiso 0.5 1 calc R U P B 1
C60A C 0.2417(7) 0.5775(7) 0.9471(7) 0.051(3) Uani 0.5 1 d . . P B 2
H60A H 0.245896 0.556042 0.905789 0.061 Uiso 0.5 1 calc R U P B 2
C61 C 0.3554(7) 0.5525(6) 0.9715(6) 0.086(2) Uani 0.5 1 d D U P B 1
H61 H 0.401270 0.548456 0.959627 0.103 Uiso 0.5 1 calc R U P B 1
C61A C 0.3039(7) 0.5801(6) 1.0260(9) 0.077(3) Uani 0.5 1 d . . P B 2
H61A H 0.349341 0.560976 1.035194 0.093 Uiso 0.5 1 calc R U P B 2
C62 C 0.3541(7) 0.5443(6) 1.0469(7) 0.089(2) Uani 0.5 1 d D U P B 1
H62 H 0.398209 0.533007 1.086531 0.107 Uiso 0.5 1 calc R U P B 1
C62A C 0.2924(7) 0.6107(5) 1.0833(6) 0.064(3) Uani 0.5 1 d . . P B 2
H62A H 0.330040 0.611079 1.133212 0.076 Uiso 0.5 1 calc R U P B 2
C63 C 0.2878(7) 0.5527(6) 1.0640(7) 0.088(2) Uani 0.5 1 d D U P B 1
H63 H 0.286343 0.546866 1.115655 0.106 Uiso 0.5 1 calc R U P B 1
C63A C 0.2295(6) 0.6408(4) 1.0726(6) 0.057(2) Uani 0.5 1 d . . P B 2
C64 C 0.2236(7) 0.5695(6) 1.0067(6) 0.081(2) Uani 0.5 1 d D U P B 1
H64 H 0.178900 0.576306 1.019742 0.098 Uiso 0.5 1 calc R U P B 1
C64A C 0.1730(6) 0.6388(4) 1.0006(5) 0.049(2) Uani 0.5 1 d . . P B 2
H64A H 0.128637 0.658885 0.992729 0.058 Uiso 0.5 1 calc R U P B 2
C65 C 0.0706(6) 0.6067(3) 0.8966(5) 0.0401(18) Uani 0.5 1 d . . P B 1
C65A C 0.0191(9) 0.5895(5) 0.8700(9) 0.042(3) Uani 0.5 1 d . . P B 2
C66 C 0.0731(6) 0.6494(4) 0.9436(5) 0.048(2) Uani 0.5 1 d . . P B 1
H66 H 0.111038 0.674765 0.948472 0.058 Uiso 0.5 1 calc R U P B 1
C66A C 0.0212(8) 0.5666(4) 0.9437(8) 0.056(3) Uani 0.5 1 d . . P B 2
H66A H 0.068430 0.561284 0.982984 0.067 Uiso 0.5 1 calc R U P B 2
C67 C 0.0209(6) 0.6558(4) 0.9839(6) 0.051(2) Uani 0.5 1 d . . P B 1
H67 H 0.023269 0.685604 1.015527 0.061 Uiso 0.5 1 calc R U P B 1
C67A C -0.0443(9) 0.5525(6) 0.9577(9) 0.071(4) Uani 0.5 1 d . . P B 2
H67A H -0.042910 0.537197 1.006085 0.085 Uiso 0.5 1 calc R U P B 2
C68 C -0.0316(7) 0.6206(4) 0.9782(7) 0.062(3) Uani 0.5 1 d . . P B 1
H68 H -0.067111 0.625111 1.005762 0.074 Uiso 0.5 1 calc R U P B 1
C68A C -0.1125(8) 0.5611(5) 0.8996(12) 0.089(5) Uani 0.5 1 d . . P B 2
H68A H -0.158281 0.552157 0.909152 0.106 Uiso 0.5 1 calc R U P B 2
C69 C -0.0354(11) 0.5765(6) 0.9317(11) 0.088(5) Uani 0.5 1 d . . P B 1
H69 H -0.072895 0.550863 0.927860 0.106 Uiso 0.5 1 calc R U P B 1
C69A C -0.1155(7) 0.5819(6) 0.8295(10) 0.080(4) Uani 0.5 1 d . . P B 2
H69A H -0.162974 0.586772 0.790380 0.096 Uiso 0.5 1 calc R U P B 2
C70 C 0.0174(10) 0.5709(6) 0.8908(10) 0.055(4) Uani 0.5 1 d . . P B 1
H70 H 0.015153 0.541421 0.858803 0.067 Uiso 0.5 1 calc R U P B 1
C70A C -0.0496(6) 0.5962(4) 0.8145(7) 0.057(2) Uani 0.5 1 d . . P B 2
H70A H -0.052312 0.610806 0.765188 0.068 Uiso 0.5 1 calc R U P B 2
C71 C 0.1575(8) 0.3794(7) 0.3658(9) 0.058(3) Uani 0.5 1 d . U P C 1
C71A C 0.1749(7) 0.3672(5) 0.4014(10) 0.0499(18) Uani 0.5 1 d . U P C 2
C72 C 0.2046(8) 0.3449(5) 0.3303(9) 0.067(3) Uani 0.5 1 d . U P C 1
H72A H 0.258240 0.353618 0.353217 0.100 Uiso 0.5 1 calc R U P C 1
H72B H 0.189161 0.350219 0.273478 0.100 Uiso 0.5 1 calc R U P C 1
H72C H 0.196760 0.308633 0.341374 0.100 Uiso 0.5 1 calc R U P C 1
C72A C 0.2300(7) 0.3307(5) 0.3796(9) 0.067(3) Uani 0.5 1 d . U P C 2
H72F H 0.268169 0.318493 0.427374 0.101 Uiso 0.5 1 calc R U P C 2
H72D H 0.254832 0.349142 0.346866 0.101 Uiso 0.5 1 calc R U P C 2
H72E H 0.202073 0.301061 0.350519 0.101 Uiso 0.5 1 calc R U P C 2
C73 C 0.0907(3) 0.56294(17) 0.2407(3) 0.0480(11) Uani 1 1 d . . . . .
C74 C 0.1200(4) 0.5698(3) 0.1715(3) 0.0710(16) Uani 1 1 d . . . . .
H74A H 0.098719 0.601412 0.143114 0.107 Uiso 1 1 calc R U . . .
H74B H 0.104965 0.540045 0.136326 0.107 Uiso 1 1 calc R U . . .
H74C H 0.175271 0.572366 0.190369 0.107 Uiso 1 1 calc R U . . .
C75 C -0.0757(3) 0.70092(16) 0.3635(3) 0.0422(9) Uani 1 1 d . . . . .
C76 C -0.1008(3) 0.75415(18) 0.3288(3) 0.0585(13) Uani 1 1 d . . . . .
H76A H -0.060969 0.779430 0.352363 0.088 Uiso 1 1 calc R U . . .
H76B H -0.110209 0.753112 0.272003 0.088 Uiso 1 1 calc R U . . .
H76C H -0.147213 0.764141 0.339585 0.088 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 Cu1 2.4170(10) 3_566 ?
Cu1 HH 1.71(8) . ?
Cu1 HA 1.90(7) . ?
Cu1 Cu2 2.5533(7) . ?
Cu1 Cu3 2.7662(7) 3_566 ?
Cu1 Cu3 2.6999(8) . ?
Cu1 Cu4 2.5186(8) . ?
Cu1 Cu5 2.8338(8) . ?
Cu1 Cu7 2.5388(7) . ?
Cu1 Cu8 2.5155(7) . ?
Cu1 Cu10 2.6766(7) . ?
Cu1 Cu10 2.7189(7) 3_566 ?
Cu1 Cu13 2.8220(8) 3_566 ?
Cu2 HH 1.90(8) . ?
Cu2 Cu3 2.9891(8) . ?
Cu2 Cu7 2.6587(8) . ?
Cu2 Cu8 2.6527(8) . ?
Cu2 Cu12 2.6230(8) . ?
Cu2 Cu13 2.5693(8) 3_566 ?
Cu2 S1 2.3614(10) . ?
Cu2 O5 1.989(3) . ?
Cu3 HA 1.35(7) . ?
Cu3 HC 1.77(5) . ?
Cu3 Cu4 2.9411(8) 3_566 ?
Cu3 Cu5 2.6275(8) 3_566 ?
Cu3 Cu11 2.7223(8) . ?
Cu3 Cu12 2.5476(8) . ?
Cu3 Cu13 2.5944(8) 3_566 ?
Cu3 Cu14 2.5435(8) . ?
Cu4 HH 1.87(8) . ?
Cu4 HD 1.83(6) . ?
Cu4 Cu5 2.5526(10) . ?
Cu4 Cu7 2.6823(8) . ?
Cu4 Cu8 2.6371(10) . ?
Cu4 Cu14 2.6128(8) 3_566 ?
Cu4 S2 2.3729(13) 3_566 ?
Cu4 O4 1.969(3) . ?
Cu5 HD 1.68(5) . ?
Cu5 HE 1.73(5) . ?
Cu5 Cu7 2.5799(8) . ?
Cu5 Cu10 2.5887(9) . ?
Cu5 Cu13 2.6290(9) . ?
Cu5 O2 1.887(9) . ?
Cu5 O2A 2.122(10) . ?
Cu6 HE 2.08(5) . ?
Cu6 HF 1.81(8) . ?
Cu6 Cu7 2.6379(9) . ?
Cu6 Cu10 2.5324(8) . ?
Cu6 Cu11 2.5916(9) . ?
Cu6 S1 2.2753(11) . ?
Cu6 P1 2.211(6) . ?
Cu6 P1A 2.233(5) . ?
Cu7 HH 1.89(7) . ?
Cu7 HE 1.86(5) . ?
Cu7 Cu10 2.9638(9) . ?
Cu7 S1 2.3808(11) . ?
Cu7 O3 1.998(3) . ?
Cu8 HH 1.86(7) . ?
Cu8 Cu9 2.5897(9) 3_566 ?
Cu8 Cu10 2.9553(8) 3_566 ?
Cu8 Cu13 2.5452(9) 3_566 ?
Cu8 S2 2.3695(12) 3_566 ?
Cu8 O6 1.992(3) . ?
Cu9 HF 1.83(8) . ?
Cu9 HG 1.88(6) . ?
Cu9 Cu10 2.4996(9) . ?
Cu9 Cu11 2.7052(9) . ?
Cu9 S2 2.2870(16) . ?
Cu9 P2 2.325(2) . ?
Cu9 P2A 2.143(2) . ?
Cu10 HA 1.90(7) . ?
Cu10 HE 1.71(5) . ?
Cu10 HF 1.75(7) . ?
Cu10 HG 1.74(6) . ?
Cu10 Cu11 2.7628(8) . ?
Cu10 Cu13 2.6392(8) . ?
Cu11 HC 1.61(5) . ?
Cu11 HF 1.55(8) . ?
Cu11 Cu12 2.6971(8) . ?
Cu11 Cu14 2.6230(8) . ?
Cu11 Cl1 2.2346(13) . ?
Cu12 HC 1.82(5) . ?
Cu12 S1 2.3067(11) . ?
Cu12 P3 2.2260(11) . ?
Cu13 HB 1.64(5) . ?
Cu13 HG 1.85(6) . ?
Cu13 O1 2.086(12) . ?
Cu13 O1A 1.932(10) . ?
Cu14 HC 1.87(5) . ?
Cu14 S2 2.2917(13) . ?
Cu14 P4 2.115(2) . ?
Cu14 P4A 2.324(3) . ?
S1 C10 1.787(4) . ?
S2 C1 1.791(5) . ?
P1 C19 1.648(10) . ?
P1 C25 1.825(19) . ?
P1 C31 1.818(11) . ?
P1A C19A 1.899(14) . ?
P1A C25A 1.823(12) . ?
P1A C31A 1.865(13) . ?
P2 C32 1.857(11) . ?
P2 C33 1.807(11) . ?
P2 C39 1.832(10) . ?
P2A C32A 1.844(13) . ?
P2A C33A 1.796(11) . ?
P2A C39A 1.83(2) . ?
P3 C45 1.809(5) . ?
P3 C51 1.763(10) . ?
P3 C51A 1.924(13) . ?
P3 C57 1.892(9) . ?
P3 C57A 1.849(10) . ?
P4 C58 2.211(8) . ?
P4 C59 1.799(17) . ?
P4 C65 1.813(10) . ?
P4A C58A 2.024(9) . ?
P4A C59A 1.814(9) . ?
P4A C65A 1.812(16) . ?
O1 C71 1.239(18) . ?
O1A C71A 1.23(2) . ?
O2 C71 1.245(19) . ?
O2A C71A 1.273(18) . ?
O3 C73 1.255(6) . ?
O4 C73 1.255(6) . ?
O5 C75 1.261(5) . ?
O6 C75 1.254(5) . ?
C1 C2 1.461(12) . ?
C1 C2A 1.336(14) . ?
C1 C6 1.259(18) . ?
C1 C6A 1.443(16) . ?
C2 H2 0.9500 . ?
C2 C3 1.391(15) . ?
C2A H2A 0.9500 . ?
C2A C3A 1.401(17) . ?
C3 H3 0.9500 . ?
C3 C4 1.455(15) . ?
C3A H3A 0.9500 . ?
C3A C4 1.340(16) . ?
C4 C5 1.450(17) . ?
C4 C5A 1.280(16) . ?
C4 C7 1.553(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.393(17) . ?
C5A H5A 0.9500 . ?
C5A C6A 1.417(16) . ?
C6 H6 0.9500 . ?
C6A H6AA 0.9900 . ?
C6A H6AB 0.9900 . ?
C7 H7A 1.0000 . ?
C7 H7B 1.0000 . ?
C7 C8 1.570(9) . ?
C7 C8A 1.550(9) . ?
C7 C9 1.518(9) . ?
C7 C9A 1.574(9) . ?
C8 H8A 0.9800 . ?
C8 H8C 0.9800 . ?
C8 H8B 0.9800 . ?
C8A H8AA 0.9800 . ?
C8A H8AC 0.9800 . ?
C8A H8AB 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C9A H9AA 0.9800 . ?
C9A H9AB 0.9800 . ?
C9A H9AC 0.9800 . ?
C10 C11 1.291(10) . ?
C10 C11A 1.586(12) . ?
C10 C15 1.465(11) . ?
C10 C15A 1.259(13) . ?
C11 H11 0.9500 . ?
C11 C12 1.403(14) . ?
C11A H11A 0.9500 . ?
C11A C12A 1.376(12) . ?
C12 H12 0.9500 . ?
C12 C13 1.357(16) . ?
C12A H12A 0.9500 . ?
C12A C13A 1.386(17) . ?
C13 C14 1.356(14) . ?
C13 C16 1.554(13) . ?
C13A C14A 1.41(2) . ?
C13A C16A 1.534(15) . ?
C14 H14 0.9500 . ?
C14 C15 1.422(12) . ?
C14A H14A 0.9500 . ?
C14A C15A 1.368(17) . ?
C15 H15 0.9500 . ?
C15A H15A 0.9500 . ?
C16 H16 1.0000 . ?
C16 C17 1.527(16) . ?
C16 C18 1.55(2) . ?
C16A H16A 1.0000 . ?
C16A C17A 1.44(3) . ?
C16A C18A 1.416(18) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C17A H17D 0.9800 . ?
C17A H17E 0.9800 . ?
C17A H17F 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C18A H18D 0.9800 . ?
C18A H18E 0.9800 . ?
C18A H18F 0.9800 . ?
C19A C20A 1.448(16) . ?
C19A C24A 1.373(15) . ?
C20A H20A 0.9500 . ?
C20A C21A 1.295(19) . ?
C21 H21 0.9500 . ?
C21 C22 1.3900 . ?
C21 C20 1.3900 . ?
C22 H22 0.9500 . ?
C22 C23 1.3900 . ?
C23 H23 0.9500 . ?
C23 C24 1.3900 . ?
C24 H24 0.9500 . ?
C24 C19 1.3900 . ?
C19 C20 1.3900 . ?
C20 H20 0.9500 . ?
C21A H21A 0.9500 . ?
C21A C22A 1.392(17) . ?
C22A H22A 0.9500 . ?
C22A C23A 1.416(14) . ?
C23A H23A 0.9500 . ?
C23A C24A 1.406(19) . ?
C24A H24A 0.9500 . ?
C25 C26 1.39(2) . ?
C25 C30 1.48(2) . ?
C25A C26A 1.375(9) . ?
C25A C30A 1.385(9) . ?
C26 H26 0.9500 . ?
C26 C27 1.38(2) . ?
C26A H26A 0.9500 . ?
C26A C27A 1.388(9) . ?
C27 H27 0.9500 . ?
C27 C28 1.36(2) . ?
C27A H27A 0.9500 . ?
C27A C28A 1.396(9) . ?
C28 H28 0.9500 . ?
C28 C29 1.34(2) . ?
C28A H28A 0.9500 . ?
C28A C29A 1.395(9) . ?
C29 H29 0.9500 . ?
C29 C30 1.39(2) . ?
C29A H29A 0.9500 . ?
C29A C30A 1.386(9) . ?
C30 H30 0.9500 . ?
C30A H30A 0.9500 . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 C32 1.504(16) . ?
C31A H31C 0.9900 . ?
C31A H31D 0.9900 . ?
C31A C32A 1.532(17) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32A H32C 0.9900 . ?
C32A H32D 0.9900 . ?
C33 C34 1.394(14) . ?
C33 C38 1.371(16) . ?
C33A C34A 1.388(16) . ?
C33A C38A 1.391(15) . ?
C34 H34 0.9500 . ?
C34 C35 1.384(17) . ?
C34A H34A 0.9500 . ?
C34A C35A 1.370(16) . ?
C35 H35 0.9500 . ?
C35 C36 1.318(18) . ?
C35A H35A 0.9500 . ?
C35A C36A 1.357(17) . ?
C36 H36 0.9500 . ?
C36 C37 1.366(18) . ?
C36A H36A 0.9500 . ?
C36A C37A 1.356(19) . ?
C37 H37 0.9500 . ?
C37 C38 1.403(18) . ?
C37A H37A 0.9500 . ?
C37A C38A 1.380(17) . ?
C38 H38 0.9500 . ?
C38A H38A 0.9500 . ?
C39 C40 1.354(16) . ?
C39 C44 1.44(3) . ?
C39A C40A 1.42(3) . ?
C39A C44A 1.38(2) . ?
C40 H40 0.9500 . ?
C40 C41 1.398(18) . ?
C40A H40A 0.9500 . ?
C40A C41A 1.417(19) . ?
C41 H41 0.9500 . ?
C41 C42 1.30(2) . ?
C41A H41A 0.9500 . ?
C41A C42A 1.353(19) . ?
C42 H42 0.9500 . ?
C42 C43 1.337(19) . ?
C42A H42A 0.9500 . ?
C42A C43A 1.36(2) . ?
C43 H43 0.9500 . ?
C43 C44 1.41(3) . ?
C43A H43A 0.9500 . ?
C43A C44A 1.373(19) . ?
C44 H44 0.9500 . ?
C44A H44A 0.9500 . ?
C45 C46 1.473(11) . ?
C45 C46A 1.492(11) . ?
C45 C50 1.369(7) . ?
C46 H46 0.9500 . ?
C46 C47 1.395(14) . ?
C46A H46A 0.9500 . ?
C46A C47A 1.376(15) . ?
C47 H47 0.9500 . ?
C47 C48 1.372(14) . ?
C47A H47A 0.9500 . ?
C47A C48A 1.386(17) . ?
C48 H48 0.9500 . ?
C48 C49 1.37(2) . ?
C48A H48A 0.9500 . ?
C48A C49A 1.40(3) . ?
C49 H49 0.9500 . ?
C49 C50 1.45(2) . ?
C49A H49A 0.9500 . ?
C49A C50 1.32(3) . ?
C50 H50 0.9500 . ?
C50 H50A 0.9500 . ?
C51 C52 1.400(13) . ?
C51 C56 1.354(13) . ?
C51A C52A 1.355(18) . ?
C51A C56A 1.430(17) . ?
C52 H52 0.9500 . ?
C52 C53 1.363(13) . ?
C52A H52A 0.9500 . ?
C52A C53A 1.387(15) . ?
C53 H53 0.9500 . ?
C53 C54 1.335(14) . ?
C53A H53A 0.9500 . ?
C53A C54A 1.400(16) . ?
C54 H54 0.9500 . ?
C54 C55 1.395(12) . ?
C54A H54A 0.9500 . ?
C54A C55A 1.335(19) . ?
C55 H55 0.9500 . ?
C55 C56 1.414(11) . ?
C55A H55A 0.9500 . ?
C55A C56A 1.377(18) . ?
C56 H56 0.9500 . ?
C56A H56A 0.9500 . ?
C57 H57B 0.9900 . ?
C57 H57A 0.9900 . ?
C57 C58 1.539(12) . ?
C57A H57C 0.9900 . ?
C57A H57D 0.9900 . ?
C57A C58A 1.517(14) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C58A H58C 0.9900 . ?
C58A H58D 0.9900 . ?
C59 C60 1.388(10) . ?
C59 C64 1.388(10) . ?
C59A C60A 1.367(17) . ?
C59A C64A 1.401(14) . ?
C60 H60 0.9500 . ?
C60 C61 1.379(9) . ?
C60A H60A 0.9500 . ?
C60A C61A 1.526(19) . ?
C61 H61 0.9500 . ?
C61 C62 1.380(9) . ?
C61A H61A 0.9500 . ?
C61A C62A 1.369(18) . ?
C62 H62 0.9500 . ?
C62 C63 1.381(9) . ?
C62A H62A 0.9500 . ?
C62A C63A 1.370(17) . ?
C63 H63 0.9500 . ?
C63 C64 1.381(9) . ?
C63A C64A 1.390(14) . ?
C64 H64 0.9500 . ?
C64A H64A 0.9500 . ?
C65 C66 1.382(13) . ?
C65 C70 1.337(17) . ?
C65A C66A 1.440(14) . ?
C65A C70A 1.365(19) . ?
C66 H66 0.9500 . ?
C66 C67 1.393(14) . ?
C66A H66A 0.9500 . ?
C66A C67A 1.370(16) . ?
C67 H67 0.9500 . ?
C67 C68 1.318(15) . ?
C67A H67A 0.9500 . ?
C67A C68A 1.39(2) . ?
C68 H68 0.9500 . ?
C68 C69 1.405(17) . ?
C68A H68A 0.9500 . ?
C68A C69A 1.36(2) . ?
C69 H69 0.9500 . ?
C69 C70 1.41(2) . ?
C69A H69A 0.9500 . ?
C69A C70A 1.388(16) . ?
C70 H70 0.9500 . ?
C70A H70A 0.9500 . ?
C71 C72 1.527(16) . ?
C71A C72A 1.535(15) . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C72A H72F 0.9800 . ?
C72A H72D 0.9800 . ?
C72A H72E 0.9800 . ?
C73 C74 1.519(6) . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 C76 1.524(6) . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?

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 Cu1 HH 177(2) 3_566 . ?
Cu1 Cu1 HA 49(2) 3_566 . ?
Cu1 Cu1 Cu2 134.25(4) 3_566 . ?
Cu1 Cu1 Cu3 62.35(2) 3_566 3_566 ?
Cu1 Cu1 Cu3 65.18(3) 3_566 . ?
Cu1 Cu1 Cu4 129.71(4) 3_566 . ?
Cu1 Cu1 Cu5 91.55(3) 3_566 . ?
Cu1 Cu1 Cu7 133.21(4) 3_566 . ?
Cu1 Cu1 Cu8 131.03(3) 3_566 . ?
Cu1 Cu1 Cu10 64.28(2) 3_566 . ?
Cu1 Cu1 Cu10 62.49(2) 3_566 3_566 ?
Cu1 Cu1 Cu13 92.74(3) 3_566 3_566 ?
HH Cu1 HA 133(3) . . ?
Cu2 Cu1 HH 48(3) . . ?
Cu2 Cu1 HA 90(2) . . ?
Cu2 Cu1 Cu3 69.30(2) . . ?
Cu2 Cu1 Cu3 162.68(3) . 3_566 ?
Cu2 Cu1 Cu5 119.99(2) . . ?
Cu2 Cu1 Cu10 104.81(2) . . ?
Cu2 Cu1 Cu10 111.63(2) . 3_566 ?
Cu2 Cu1 Cu13 56.84(2) . 3_566 ?
Cu3 Cu1 HH 117(3) . . ?
Cu3 Cu1 HH 115(3) 3_566 . ?
Cu3 Cu1 HA 28(2) . . ?
Cu3 Cu1 HA 107(2) 3_566 . ?
Cu3 Cu1 Cu3 127.53(2) . 3_566 ?
Cu3 Cu1 Cu5 55.948(19) 3_566 . ?
Cu3 Cu1 Cu5 126.72(3) . . ?
Cu3 Cu1 Cu10 87.16(2) . 3_566 ?
Cu3 Cu1 Cu13 125.99(2) 3_566 3_566 ?
Cu3 Cu1 Cu13 56.00(2) . 3_566 ?
Cu4 Cu1 HH 48(3) . . ?
Cu4 Cu1 HA 156(2) . . ?
Cu4 Cu1 Cu2 96.01(3) . . ?
Cu4 Cu1 Cu3 67.44(2) . 3_566 ?
Cu4 Cu1 Cu3 164.81(3) . . ?
Cu4 Cu1 Cu5 56.60(2) . . ?
Cu4 Cu1 Cu7 64.06(2) . . ?
Cu4 Cu1 Cu10 102.44(3) . 3_566 ?
Cu4 Cu1 Cu10 110.99(3) . . ?
Cu4 Cu1 Cu13 119.79(3) . 3_566 ?
Cu5 Cu1 HH 88(2) . . ?
Cu5 Cu1 HA 101(2) . . ?
Cu7 Cu1 HH 48(2) . . ?
Cu7 Cu1 HA 99(2) . . ?
Cu7 Cu1 Cu2 62.95(2) . . ?
Cu7 Cu1 Cu3 104.22(2) . . ?
Cu7 Cu1 Cu3 111.01(3) . 3_566 ?
Cu7 Cu1 Cu5 57.08(2) . . ?
Cu7 Cu1 Cu10 163.38(3) . 3_566 ?
Cu7 Cu1 Cu10 69.20(2) . . ?
Cu7 Cu1 Cu13 119.78(3) . 3_566 ?
Cu8 Cu1 HH 48(2) . . ?
Cu8 Cu1 HA 139(2) . . ?
Cu8 Cu1 Cu2 63.11(2) . . ?
Cu8 Cu1 Cu3 103.07(2) . 3_566 ?
Cu8 Cu1 Cu3 110.86(3) . . ?
Cu8 Cu1 Cu4 63.18(3) . . ?
Cu8 Cu1 Cu5 119.75(3) . . ?
Cu8 Cu1 Cu7 95.71(3) . . ?
Cu8 Cu1 Cu10 164.40(3) . . ?
Cu8 Cu1 Cu10 68.62(2) . 3_566 ?
Cu8 Cu1 Cu13 56.61(2) . 3_566 ?
Cu10 Cu1 HH 117(2) . . ?
Cu10 Cu1 HH 116(2) 3_566 . ?
Cu10 Cu1 HA 45(2) . . ?
Cu10 Cu1 HA 97(2) 3_566 . ?
Cu10 Cu1 Cu3 69.20(2) 3_566 3_566 ?
Cu10 Cu1 Cu3 86.66(2) . 3_566 ?
Cu10 Cu1 Cu3 70.81(2) . . ?
Cu10 Cu1 Cu5 55.95(2) . . ?
Cu10 Cu1 Cu5 125.11(2) 3_566 . ?
Cu10 Cu1 Cu10 126.78(2) . 3_566 ?
Cu10 Cu1 Cu13 56.852(19) 3_566 3_566 ?
Cu10 Cu1 Cu13 126.77(3) . 3_566 ?
Cu13 Cu1 HH 88(2) 3_566 . ?
Cu13 Cu1 HA 83(2) 3_566 . ?
Cu13 Cu1 Cu5 175.67(3) 3_566 . ?
Cu1 Cu2 HH 42(2) . . ?
Cu1 Cu2 Cu3 57.663(19) . . ?
Cu1 Cu2 Cu7 58.26(2) . . ?
Cu1 Cu2 Cu8 57.75(2) . . ?
Cu1 Cu2 Cu12 106.32(3) . . ?
Cu1 Cu2 Cu13 66.85(2) . 3_566 ?
Cu3 Cu2 HH 100(2) . . ?
Cu7 Cu2 HH 45(2) . . ?
Cu7 Cu2 Cu3 93.96(2) . . ?
Cu8 Cu2 HH 44(2) . . ?
Cu8 Cu2 Cu3 99.01(2) . . ?
Cu8 Cu2 Cu7 89.75(3) . . ?
Cu12 Cu2 HH 141(2) . . ?
Cu12 Cu2 Cu3 53.513(19) . . ?
Cu12 Cu2 Cu7 103.44(3) . . ?
Cu12 Cu2 Cu8 149.65(3) . . ?
Cu13 Cu2 HH 92(2) 3_566 . ?
Cu13 Cu2 Cu3 55.02(2) 3_566 . ?
Cu13 Cu2 Cu7 125.10(3) 3_566 . ?
Cu13 Cu2 Cu8 58.31(2) 3_566 . ?
Cu13 Cu2 Cu12 92.27(3) 3_566 . ?
S1 Cu2 Cu1 99.54(3) . . ?
S1 Cu2 HH 102(2) . . ?
S1 Cu2 Cu3 86.16(3) . . ?
S1 Cu2 Cu7 56.25(3) . . ?
S1 Cu2 Cu8 145.96(4) . . ?
S1 Cu2 Cu12 54.83(3) . . ?
S1 Cu2 Cu13 140.68(4) . 3_566 ?
O5 Cu2 Cu1 142.16(9) . . ?
O5 Cu2 HH 108(2) . . ?
O5 Cu2 Cu3 143.45(9) . . ?
O5 Cu2 Cu7 122.50(10) . . ?
O5 Cu2 Cu8 84.79(9) . . ?
O5 Cu2 Cu12 109.46(9) . . ?
O5 Cu2 Cu13 99.55(9) . 3_566 ?
O5 Cu2 S1 110.80(9) . . ?
Cu1 Cu3 Cu1 52.47(2) . 3_566 ?
Cu1 Cu3 HA 41(3) . . ?
Cu1 Cu3 HA 37(3) 3_566 . ?
Cu1 Cu3 Cu2 105.38(2) 3_566 . ?
Cu1 Cu3 Cu2 53.039(18) . . ?
Cu1 Cu3 HC 134.2(16) 3_566 . ?
Cu1 Cu3 HC 132.4(16) . . ?
Cu1 Cu3 Cu4 104.68(2) . 3_566 ?
Cu1 Cu3 Cu4 52.261(19) 3_566 3_566 ?
Cu1 Cu3 Cu11 103.80(2) . . ?
HA Cu3 HC 110(3) . . ?
Cu2 Cu3 HA 86(3) . . ?
Cu2 Cu3 HC 99.2(17) . . ?
Cu4 Cu3 HA 78(3) 3_566 . ?
Cu4 Cu3 Cu2 156.82(3) 3_566 . ?
Cu4 Cu3 HC 101.9(16) 3_566 . ?
Cu5 Cu3 Cu1 63.32(2) 3_566 3_566 ?
Cu5 Cu3 Cu1 90.20(2) 3_566 . ?
Cu5 Cu3 HA 100(3) 3_566 . ?
Cu5 Cu3 Cu2 113.66(3) 3_566 . ?
Cu5 Cu3 HC 137.1(16) 3_566 . ?
Cu5 Cu3 Cu4 54.21(2) 3_566 3_566 ?
Cu5 Cu3 Cu11 149.59(3) 3_566 . ?
Cu11 Cu3 Cu1 104.16(2) . 3_566 ?
Cu11 Cu3 HA 76(3) . . ?
Cu11 Cu3 Cu2 96.13(2) . . ?
Cu11 Cu3 HC 34.3(16) . . ?
Cu11 Cu3 Cu4 95.77(2) . 3_566 ?
Cu12 Cu3 Cu1 104.24(3) . . ?
Cu12 Cu3 Cu1 151.22(3) . 3_566 ?
Cu12 Cu3 HA 115(3) . . ?
Cu12 Cu3 Cu2 55.87(2) . . ?
Cu12 Cu3 HC 45.5(16) . . ?
Cu12 Cu3 Cu4 146.75(3) . 3_566 ?
Cu12 Cu3 Cu5 141.29(3) . 3_566 ?
Cu12 Cu3 Cu11 61.46(2) . . ?
Cu12 Cu3 Cu13 93.45(3) . 3_566 ?
Cu13 Cu3 Cu1 64.38(2) 3_566 . ?
Cu13 Cu3 Cu1 90.30(2) 3_566 3_566 ?
Cu13 Cu3 HA 104(3) 3_566 . ?
Cu13 Cu3 Cu2 54.24(2) 3_566 . ?
Cu13 Cu3 HC 135.0(16) 3_566 . ?
Cu13 Cu3 Cu4 113.72(3) 3_566 3_566 ?
Cu13 Cu3 Cu5 60.45(2) 3_566 3_566 ?
Cu13 Cu3 Cu11 149.94(3) 3_566 . ?
Cu14 Cu3 Cu1 103.61(3) . 3_566 ?
Cu14 Cu3 Cu1 149.26(3) . . ?
Cu14 Cu3 HA 108(3) . . ?
Cu14 Cu3 Cu2 146.08(3) . . ?
Cu14 Cu3 HC 47.2(17) . . ?
Cu14 Cu3 Cu4 56.34(2) . 3_566 ?
Cu14 Cu3 Cu5 94.91(3) . 3_566 ?
Cu14 Cu3 Cu11 59.64(2) . . ?
Cu14 Cu3 Cu12 90.46(3) . . ?
Cu14 Cu3 Cu13 142.65(3) . 3_566 ?
Cu1 Cu4 HH 43(2) . . ?
Cu1 Cu4 Cu3 60.30(2) . 3_566 ?
Cu1 Cu4 HD 83.5(18) . . ?
Cu1 Cu4 Cu5 67.94(2) . . ?
Cu1 Cu4 Cu7 58.33(2) . . ?
Cu1 Cu4 Cu8 58.35(2) . . ?
Cu1 Cu4 Cu14 108.90(3) . 3_566 ?
HH Cu4 HD 124(3) . . ?
Cu3 Cu4 HH 103(2) 3_566 . ?
Cu3 Cu4 HD 32.1(18) 3_566 . ?
Cu5 Cu4 HH 93(2) . . ?
Cu5 Cu4 Cu3 56.62(2) . 3_566 ?
Cu5 Cu4 HD 41.2(17) . . ?
Cu5 Cu4 Cu7 58.99(2) . . ?
Cu5 Cu4 Cu8 126.26(3) . . ?
Cu5 Cu4 Cu14 95.05(3) . 3_566 ?
Cu7 Cu4 HH 45(2) . . ?
Cu7 Cu4 Cu3 102.03(3) . 3_566 ?
Cu7 Cu4 HD 99.8(17) . . ?
Cu8 Cu4 HH 45(2) . . ?
Cu8 Cu4 Cu3 95.63(3) . 3_566 ?
Cu8 Cu4 HD 127.7(18) . . ?
Cu8 Cu4 Cu7 89.57(3) . . ?
Cu14 Cu4 HH 143(2) 3_566 . ?
Cu14 Cu4 Cu3 54.12(2) 3_566 3_566 ?
Cu14 Cu4 HD 53.9(17) 3_566 . ?
Cu14 Cu4 Cu7 153.38(3) 3_566 . ?
Cu14 Cu4 Cu8 103.29(3) 3_566 . ?
S2 Cu4 Cu1 100.89(4) 3_566 . ?
S2 Cu4 HH 101(2) 3_566 . ?
S2 Cu4 Cu3 87.45(3) 3_566 3_566 ?
S2 Cu4 HD 105.1(17) 3_566 . ?
S2 Cu4 Cu5 143.63(4) 3_566 . ?
S2 Cu4 Cu7 145.39(4) 3_566 . ?
S2 Cu4 Cu8 56.15(3) 3_566 . ?
S2 Cu4 Cu14 54.47(3) 3_566 3_566 ?
O4 Cu4 Cu1 142.75(10) . . ?
O4 Cu4 HH 111(2) . . ?
O4 Cu4 Cu3 136.96(10) . 3_566 ?
O4 Cu4 HD 105.0(18) . . ?
O4 Cu4 Cu5 94.41(11) . . ?
O4 Cu4 Cu7 84.41(10) . . ?
O4 Cu4 Cu8 127.18(10) . . ?
O4 Cu4 Cu14 105.01(10) . 3_566 ?
O4 Cu4 S2 111.22(11) . 3_566 ?
Cu1 Cu5 HD 76(2) . . ?
Cu1 Cu5 HE 76.8(15) . . ?
Cu3 Cu5 Cu1 60.73(2) 3_566 . ?
Cu3 Cu5 HD 39(2) 3_566 . ?
Cu3 Cu5 HE 129.6(16) 3_566 . ?
Cu3 Cu5 Cu13 59.15(2) 3_566 . ?
HD Cu5 HE 151(2) . . ?
Cu4 Cu5 Cu1 55.46(2) . . ?
Cu4 Cu5 Cu3 69.17(2) . 3_566 ?
Cu4 Cu5 HD 46(2) . . ?
Cu4 Cu5 HE 108.7(15) . . ?
Cu4 Cu5 Cu7 63.01(2) . . ?
Cu4 Cu5 Cu10 112.79(3) . . ?
Cu4 Cu5 Cu13 127.08(3) . . ?
Cu7 Cu5 Cu1 55.69(2) . . ?
Cu7 Cu5 Cu3 114.27(3) . 3_566 ?
Cu7 Cu5 HD 108.2(19) . . ?
Cu7 Cu5 HE 46.3(15) . . ?
Cu7 Cu5 Cu10 69.98(2) . . ?
Cu7 Cu5 Cu13 129.47(3) . . ?
Cu10 Cu5 Cu1 58.95(2) . . ?
Cu10 Cu5 Cu3 91.47(2) . 3_566 ?
Cu10 Cu5 HD 127(2) . . ?
Cu10 Cu5 HE 40.9(16) . . ?
Cu10 Cu5 Cu13 60.76(2) . . ?
Cu13 Cu5 Cu1 88.14(2) . . ?
Cu13 Cu5 HD 94(2) . . ?
Cu13 Cu5 HE 96.1(16) . . ?
O2 Cu5 Cu1 177.7(3) . . ?
O2 Cu5 Cu3 117.0(3) . 3_566 ?
O2 Cu5 HD 101(2) . . ?
O2 Cu5 Cu4 123.6(3) . . ?
O2 Cu5 HE 105.5(16) . . ?
O2 Cu5 Cu7 126.2(3) . . ?
O2 Cu5 Cu10 122.5(3) . . ?
O2 Cu5 Cu13 91.1(3) . . ?
O2A Cu5 Cu1 163.1(3) . . ?
O2A Cu5 HD 113(2) . . ?
O2A Cu5 Cu4 141.1(3) . . ?
O2A Cu5 HE 96.0(15) . . ?
O2A Cu5 Cu7 128.9(3) . . ?
O2A Cu5 Cu10 105.6(3) . . ?
O2A Cu5 Cu13 77.4(3) . . ?
HE Cu6 HF 84(3) . . ?
Cu7 Cu6 HE 44.6(13) . . ?
Cu7 Cu6 HF 111(2) . . ?
Cu10 Cu6 HE 42.1(13) . . ?
Cu10 Cu6 HF 44(2) . . ?
Cu10 Cu6 Cu7 69.92(2) . . ?
Cu10 Cu6 Cu11 65.24(2) . . ?
Cu11 Cu6 HE 106.3(13) . . ?
Cu11 Cu6 HF 36(2) . . ?
Cu11 Cu6 Cu7 108.62(3) . . ?
S1 Cu6 HE 99.8(13) . . ?
S1 Cu6 HF 112(2) . . ?
S1 Cu6 Cu7 57.40(3) . . ?
S1 Cu6 Cu10 100.82(3) . . ?
S1 Cu6 Cu11 80.13(3) . . ?
P1 Cu6 HE 108.1(13) . . ?
P1 Cu6 HF 116(2) . . ?
P1 Cu6 Cu7 121.11(15) . . ?
P1 Cu6 Cu10 130.28(16) . . ?
P1 Cu6 Cu11 130.26(15) . . ?
P1 Cu6 S1 126.65(14) . . ?
P1A Cu6 HE 110.7(13) . . ?
P1A Cu6 HF 104(2) . . ?
P1A Cu6 Cu7 131.31(12) . . ?
P1A Cu6 Cu10 124.21(12) . . ?
P1A Cu6 Cu11 119.61(12) . . ?
P1A Cu6 S1 134.83(12) . . ?
Cu1 Cu7 HH 42(2) . . ?
Cu1 Cu7 Cu2 58.79(2) . . ?
Cu1 Cu7 Cu4 57.60(2) . . ?
Cu1 Cu7 Cu5 67.23(2) . . ?
Cu1 Cu7 HE 83.1(14) . . ?
Cu1 Cu7 Cu6 104.90(3) . . ?
Cu1 Cu7 Cu10 57.592(19) . . ?
HH Cu7 HE 123(3) . . ?
Cu2 Cu7 HH 46(2) . . ?
Cu2 Cu7 Cu4 89.78(3) . . ?
Cu2 Cu7 HE 127.1(15) . . ?
Cu2 Cu7 Cu10 94.82(2) . . ?
Cu4 Cu7 HH 44(2) . . ?
Cu4 Cu7 HE 99.7(14) . . ?
Cu4 Cu7 Cu10 98.53(2) . . ?
Cu5 Cu7 HH 92(2) . . ?
Cu5 Cu7 Cu2 125.98(3) . . ?
Cu5 Cu7 Cu4 58.00(2) . . ?
Cu5 Cu7 HE 42.1(14) . . ?
Cu5 Cu7 Cu6 93.87(3) . . ?
Cu5 Cu7 Cu10 55.15(2) . . ?
Cu6 Cu7 HH 139(2) . . ?
Cu6 Cu7 Cu2 101.22(3) . . ?
Cu6 Cu7 Cu4 150.20(3) . . ?
Cu6 Cu7 HE 51.8(14) . . ?
Cu6 Cu7 Cu10 53.37(2) . . ?
Cu10 Cu7 HH 100(2) . . ?
Cu10 Cu7 HE 32.4(15) . . ?
S1 Cu7 Cu1 99.43(3) . . ?
S1 Cu7 HH 101(2) . . ?
S1 Cu7 Cu2 55.56(3) . . ?
S1 Cu7 Cu4 145.30(4) . . ?
S1 Cu7 Cu5 141.84(4) . . ?
S1 Cu7 HE 102.9(15) . . ?
S1 Cu7 Cu6 53.62(3) . . ?
S1 Cu7 Cu10 87.16(3) . . ?
O3 Cu7 Cu1 140.27(10) . . ?
O3 Cu7 HH 108(2) . . ?
O3 Cu7 Cu2 124.97(10) . . ?
O3 Cu7 Cu4 82.73(10) . . ?
O3 Cu7 Cu5 95.06(9) . . ?
O3 Cu7 HE 107.9(15) . . ?
O3 Cu7 Cu6 111.80(10) . . ?
O3 Cu7 Cu10 140.21(10) . . ?
O3 Cu7 S1 114.19(10) . . ?
Cu1 Cu8 HH 43(2) . . ?
Cu1 Cu8 Cu2 59.14(2) . . ?
Cu1 Cu8 Cu4 58.47(2) . . ?
Cu1 Cu8 Cu9 107.41(3) . 3_566 ?
Cu1 Cu8 Cu10 58.948(19) . 3_566 ?
Cu1 Cu8 Cu13 67.78(2) . 3_566 ?
Cu2 Cu8 HH 46(2) . . ?
Cu2 Cu8 Cu10 102.00(3) . 3_566 ?
Cu4 Cu8 HH 45(2) . . ?
Cu4 Cu8 Cu2 90.90(3) . . ?
Cu4 Cu8 Cu10 93.67(2) . 3_566 ?
Cu9 Cu8 HH 142(2) 3_566 . ?
Cu9 Cu8 Cu2 151.68(4) 3_566 . ?
Cu9 Cu8 Cu4 102.84(3) 3_566 . ?
Cu9 Cu8 Cu10 53.09(2) 3_566 3_566 ?
Cu10 Cu8 HH 102(2) 3_566 . ?
Cu13 Cu8 HH 94(2) 3_566 . ?
Cu13 Cu8 Cu2 59.20(2) 3_566 . ?
Cu13 Cu8 Cu4 126.24(3) 3_566 . ?
Cu13 Cu8 Cu9 93.06(3) 3_566 3_566 ?
Cu13 Cu8 Cu10 56.76(2) 3_566 3_566 ?
S2 Cu8 Cu1 101.08(4) 3_566 . ?
S2 Cu8 HH 101(2) 3_566 . ?
S2 Cu8 Cu2 146.81(4) 3_566 . ?
S2 Cu8 Cu4 56.28(4) 3_566 . ?
S2 Cu8 Cu9 54.71(4) 3_566 3_566 ?
S2 Cu8 Cu10 86.33(3) 3_566 3_566 ?
S2 Cu8 Cu13 142.39(4) 3_566 3_566 ?
O6 Cu8 Cu1 142.31(9) . . ?
O6 Cu8 HH 110(2) . . ?
O6 Cu8 Cu2 83.20(9) . . ?
O6 Cu8 Cu4 126.40(11) . . ?
O6 Cu8 Cu9 107.03(9) . 3_566 ?
O6 Cu8 Cu10 139.73(10) . 3_566 ?
O6 Cu8 Cu13 95.58(10) . 3_566 ?
O6 Cu8 S2 111.09(10) . 3_566 ?
HF Cu9 HG 87(3) . . ?
Cu8 Cu9 HF 112(2) 3_566 . ?
Cu8 Cu9 HG 46.4(18) 3_566 . ?
Cu8 Cu9 Cu11 107.06(3) 3_566 . ?
Cu10 Cu9 HF 44(2) . . ?
Cu10 Cu9 Cu8 70.97(2) . 3_566 ?
Cu10 Cu9 HG 44.0(19) . . ?
Cu10 Cu9 Cu11 63.98(2) . . ?
Cu11 Cu9 HF 34(2) . . ?
Cu11 Cu9 HG 107.0(18) . . ?
S2 Cu9 HF 107(2) . . ?
S2 Cu9 Cu8 57.74(3) . 3_566 ?
S2 Cu9 HG 101.8(18) . . ?
S2 Cu9 Cu10 99.94(4) . . ?
S2 Cu9 Cu11 77.07(4) . . ?
S2 Cu9 P2 137.88(8) . . ?
P2 Cu9 HF 105(2) . . ?
P2 Cu9 Cu8 131.13(7) . 3_566 ?
P2 Cu9 HG 107.0(18) . . ?
P2 Cu9 Cu10 122.14(8) . . ?
P2 Cu9 Cu11 121.11(7) . . ?
P2A Cu9 HF 112(2) . . ?
P2A Cu9 HG 126.2(18) . . ?
P2A Cu9 Cu10 141.74(11) . . ?
P2A Cu9 Cu11 115.99(7) . . ?
P2A Cu9 S2 117.71(11) . . ?
Cu1 Cu10 Cu1 53.22(2) . 3_566 ?
Cu1 Cu10 HA 43(2) 3_566 . ?
Cu1 Cu10 HA 45(2) . . ?
Cu1 Cu10 HE 127.5(15) 3_566 . ?
Cu1 Cu10 HE 81.8(15) . . ?
Cu1 Cu10 HF 131(2) 3_566 . ?
Cu1 Cu10 HF 130(2) . . ?
Cu1 Cu10 Cu7 53.204(18) . . ?
Cu1 Cu10 Cu7 106.27(2) 3_566 . ?
Cu1 Cu10 Cu8 105.61(2) . 3_566 ?
Cu1 Cu10 Cu8 52.432(18) 3_566 3_566 ?
Cu1 Cu10 HG 131.1(19) . . ?
Cu1 Cu10 HG 83.5(19) 3_566 . ?
Cu1 Cu10 Cu11 104.35(2) 3_566 . ?
Cu1 Cu10 Cu11 103.33(2) . . ?
HA Cu10 HE 121(3) . . ?
HA Cu10 HF 100(3) . . ?
HA Cu10 HG 118(3) . . ?
Cu5 Cu10 Cu1 65.10(2) . . ?
Cu5 Cu10 Cu1 90.61(2) . 3_566 ?
Cu5 Cu10 HA 110(2) . . ?
Cu5 Cu10 HE 41.5(15) . . ?
Cu5 Cu10 HF 138(2) . . ?
Cu5 Cu10 Cu7 54.87(2) . . ?
Cu5 Cu10 Cu8 113.27(3) . 3_566 ?
Cu5 Cu10 HG 98(2) . . ?
Cu5 Cu10 Cu11 150.09(3) . . ?
Cu5 Cu10 Cu13 60.37(2) . . ?
HE Cu10 HF 98(3) . . ?
HE Cu10 HG 116(3) . . ?
Cu6 Cu10 Cu1 103.96(3) . . ?
Cu6 Cu10 Cu1 150.11(3) . 3_566 ?
Cu6 Cu10 HA 107(2) . . ?
Cu6 Cu10 Cu5 96.21(3) . . ?
Cu6 Cu10 HE 54.8(15) . . ?
Cu6 Cu10 HF 46(3) . . ?
Cu6 Cu10 Cu7 56.71(2) . . ?
Cu6 Cu10 Cu8 144.84(3) . 3_566 ?
Cu6 Cu10 HG 123.9(19) . . ?
Cu6 Cu10 Cu11 58.41(2) . . ?
Cu6 Cu10 Cu13 143.59(3) . . ?
HF Cu10 HG 94(3) . . ?
Cu7 Cu10 HA 86(2) . . ?
Cu7 Cu10 HE 35.7(15) . . ?
Cu7 Cu10 HF 100(3) . . ?
Cu7 Cu10 HG 150(2) . . ?
Cu8 Cu10 HA 81(2) 3_566 . ?
Cu8 Cu10 HE 148.6(16) 3_566 . ?
Cu8 Cu10 HF 100(2) 3_566 . ?
Cu8 Cu10 Cu7 157.76(2) 3_566 . ?
Cu8 Cu10 HG 37(2) 3_566 . ?
Cu9 Cu10 Cu1 151.01(3) . . ?
Cu9 Cu10 Cu1 104.02(3) . 3_566 ?
Cu9 Cu10 HA 106(2) . . ?
Cu9 Cu10 Cu5 139.98(3) . . ?
Cu9 Cu10 HE 126.1(15) . . ?
Cu9 Cu10 Cu6 89.23(3) . . ?
Cu9 Cu10 HF 47(2) . . ?
Cu9 Cu10 Cu7 145.94(3) . . ?
Cu9 Cu10 Cu8 55.94(2) . 3_566 ?
Cu9 Cu10 HG 49(2) . . ?
Cu9 Cu10 Cu11 61.63(2) . . ?
Cu9 Cu10 Cu13 92.94(3) . . ?
Cu11 Cu10 HA 69(2) . . ?
Cu11 Cu10 HE 112.0(16) . . ?
Cu11 Cu10 HF 31(2) . . ?
Cu11 Cu10 Cu7 95.69(2) . . ?
Cu11 Cu10 Cu8 96.22(2) . 3_566 ?
Cu11 Cu10 HG 109(2) . . ?
Cu13 Cu10 Cu1 63.54(2) . 3_566 ?
Cu13 Cu10 Cu1 91.34(2) . . ?
Cu13 Cu10 HA 107(2) . . ?
Cu13 Cu10 HE 96.3(16) . . ?
Cu13 Cu10 HF 137(2) . . ?
Cu13 Cu10 Cu7 114.32(3) . . ?
Cu13 Cu10 Cu8 53.76(2) . 3_566 ?
Cu13 Cu10 HG 44(2) . . ?
Cu13 Cu10 Cu11 149.53(3) . . ?
Cu3 Cu11 HC 38.3(18) . . ?
Cu3 Cu11 HF 105(3) . . ?
Cu3 Cu11 Cu10 69.20(2) . . ?
HC Cu11 HF 143(3) . . ?
Cu6 Cu11 Cu3 104.79(3) . . ?
Cu6 Cu11 HC 127.6(18) . . ?
Cu6 Cu11 HF 43(3) . . ?
Cu6 Cu11 Cu9 83.68(3) . . ?
Cu6 Cu11 Cu10 56.34(2) . . ?
Cu6 Cu11 Cu12 91.27(3) . . ?
Cu6 Cu11 Cu14 159.22(3) . . ?
Cu9 Cu11 Cu3 104.00(3) . . ?
Cu9 Cu11 HC 130.5(18) . . ?
Cu9 Cu11 HF 41(3) . . ?
Cu9 Cu11 Cu10 54.39(2) . . ?
Cu10 Cu11 HC 107.5(18) . . ?
Cu10 Cu11 HF 36(3) . . ?
Cu12 Cu11 Cu3 56.08(2) . . ?
Cu12 Cu11 HC 40.9(18) . . ?
Cu12 Cu11 HF 128(3) . . ?
Cu12 Cu11 Cu9 157.48(3) . . ?
Cu12 Cu11 Cu10 104.85(3) . . ?
Cu14 Cu11 Cu3 56.79(2) . . ?
Cu14 Cu11 HC 44.8(18) . . ?
Cu14 Cu11 HF 127(3) . . ?
Cu14 Cu11 Cu9 91.39(3) . . ?
Cu14 Cu11 Cu10 104.66(3) . . ?
Cu14 Cu11 Cu12 85.58(2) . . ?
Cl1 Cu11 Cu3 147.39(6) . . ?
Cl1 Cu11 HC 109.1(18) . . ?
Cl1 Cu11 Cu6 97.66(6) . . ?
Cl1 Cu11 HF 108(3) . . ?
Cl1 Cu11 Cu9 101.69(5) . . ?
Cl1 Cu11 Cu10 143.31(6) . . ?
Cl1 Cu11 Cu12 100.73(5) . . ?
Cl1 Cu11 Cu14 103.11(6) . . ?
Cu2 Cu12 HC 112.0(16) . . ?
Cu2 Cu12 Cu11 106.13(3) . . ?
Cu3 Cu12 Cu2 70.62(2) . . ?
Cu3 Cu12 HC 44.0(15) . . ?
Cu3 Cu12 Cu11 62.46(2) . . ?
Cu11 Cu12 HC 35.4(15) . . ?
S1 Cu12 Cu2 56.81(3) . . ?
S1 Cu12 Cu3 98.59(3) . . ?
S1 Cu12 HC 109.5(16) . . ?
S1 Cu12 Cu11 77.36(3) . . ?
P3 Cu12 Cu2 131.59(4) . . ?
P3 Cu12 Cu3 127.11(4) . . ?
P3 Cu12 HC 105.5(16) . . ?
P3 Cu12 Cu11 122.11(4) . . ?
P3 Cu12 S1 134.28(4) . . ?
Cu1 Cu13 HB 75.2(18) 3_566 . ?
Cu1 Cu13 HG 78.7(18) 3_566 . ?
Cu2 Cu13 Cu1 56.305(19) 3_566 3_566 ?
Cu2 Cu13 HB 40.6(19) 3_566 . ?
Cu2 Cu13 Cu3 70.74(2) 3_566 3_566 ?
Cu2 Cu13 Cu5 129.69(3) 3_566 . ?
Cu2 Cu13 HG 109.6(19) 3_566 . ?
Cu2 Cu13 Cu10 113.76(3) 3_566 . ?
HB Cu13 HG 149(3) . . ?
Cu3 Cu13 Cu1 59.62(2) 3_566 3_566 ?
Cu3 Cu13 HB 45.0(18) 3_566 . ?
Cu3 Cu13 Cu5 60.40(2) 3_566 . ?
Cu3 Cu13 HG 129.8(19) 3_566 . ?
Cu3 Cu13 Cu10 91.08(2) 3_566 . ?
Cu5 Cu13 Cu1 87.56(2) . 3_566 ?
Cu5 Cu13 HB 101.9(19) . . ?
Cu5 Cu13 HG 93.5(19) . . ?
Cu5 Cu13 Cu10 58.86(2) . . ?
Cu8 Cu13 Cu1 55.61(2) 3_566 3_566 ?
Cu8 Cu13 Cu2 62.49(2) 3_566 3_566 ?
Cu8 Cu13 HB 102.8(19) 3_566 . ?
Cu8 Cu13 Cu3 113.40(3) 3_566 3_566 ?
Cu8 Cu13 Cu5 127.19(3) 3_566 . ?
Cu8 Cu13 HG 47.4(19) 3_566 . ?
Cu8 Cu13 Cu10 69.48(2) 3_566 . ?
Cu10 Cu13 Cu1 59.604(19) . 3_566 ?
Cu10 Cu13 HB 130.0(18) . . ?
Cu10 Cu13 HG 41.0(19) . . ?
O1 Cu13 Cu1 164.3(3) . 3_566 ?
O1 Cu13 Cu2 132.1(4) . 3_566 ?
O1 Cu13 HB 103.5(19) . . ?
O1 Cu13 Cu3 108.1(3) . 3_566 ?
O1 Cu13 Cu5 77.3(3) . . ?
O1 Cu13 Cu8 138.3(3) . 3_566 ?
O1 Cu13 HG 106.2(19) . . ?
O1 Cu13 Cu10 114.2(4) . . ?
O1A Cu13 HB 110.0(19) . . ?
O1A Cu13 Cu5 91.5(3) . . ?
O1A Cu13 HG 96.2(19) . . ?
O1A Cu13 Cu10 115.6(3) . . ?
Cu3 Cu14 HC 44.0(15) . . ?
Cu3 Cu14 Cu4 69.54(2) . 3_566 ?
Cu3 Cu14 Cu11 63.57(2) . . ?
Cu4 Cu14 HC 111.7(15) 3_566 . ?
Cu4 Cu14 Cu11 106.81(3) 3_566 . ?
Cu11 Cu14 HC 37.4(15) . . ?
S2 Cu14 Cu3 99.56(4) . . ?
S2 Cu14 HC 112.5(15) . . ?
S2 Cu14 Cu4 57.42(3) . 3_566 ?
S2 Cu14 Cu11 78.72(4) . . ?
S2 Cu14 P4A 137.18(7) . . ?
P4 Cu14 Cu3 133.46(8) . . ?
P4 Cu14 HC 105.6(16) . . ?
P4 Cu14 Cu4 135.62(8) . 3_566 ?
P4 Cu14 Cu11 117.44(8) . . ?
P4 Cu14 S2 126.85(8) . . ?
P4A Cu14 Cu3 121.50(7) . . ?
P4A Cu14 HC 105.9(16) . . ?
P4A Cu14 Cu11 128.28(7) . . ?
Cu2 S1 Cu7 68.20(3) . . ?
Cu6 S1 Cu2 123.96(4) . . ?
Cu6 S1 Cu7 68.98(3) . . ?
Cu6 S1 Cu12 111.24(5) . . ?
Cu12 S1 Cu2 68.36(3) . . ?
Cu12 S1 Cu7 124.38(4) . . ?
C10 S1 Cu2 122.93(15) . . ?
C10 S1 Cu6 107.35(15) . . ?
C10 S1 Cu7 115.56(19) . . ?
C10 S1 Cu12 116.60(19) . . ?
Cu8 S2 Cu4 67.57(3) 3_566 3_566 ?
Cu9 S2 Cu4 122.52(5) . 3_566 ?
Cu9 S2 Cu8 67.55(4) . 3_566 ?
Cu9 S2 Cu14 112.80(5) . . ?
Cu14 S2 Cu4 68.11(4) . 3_566 ?
Cu14 S2 Cu8 124.06(5) . 3_566 ?
C1 S2 Cu4 116.3(2) . 3_566 ?
C1 S2 Cu8 113.51(18) . 3_566 ?
C1 S2 Cu9 113.5(2) . . ?
C1 S2 Cu14 115.8(2) . . ?
C19 P1 Cu6 119.1(5) . . ?
C19 P1 C25 104.3(7) . . ?
C19 P1 C31 103.5(6) . . ?
C25 P1 Cu6 117.7(6) . . ?
C31 P1 Cu6 107.3(4) . . ?
C31 P1 C25 102.9(7) . . ?
C19A P1A Cu6 107.2(4) . . ?
C25A P1A Cu6 123.2(3) . . ?
C25A P1A C19A 107.0(5) . . ?
C25A P1A C31A 102.2(6) . . ?
C31A P1A Cu6 111.7(4) . . ?
C31A P1A C19A 103.9(5) . . ?
C32 P2 Cu9 109.4(3) . . ?
C33 P2 Cu9 121.9(3) . . ?
C33 P2 C32 104.4(5) . . ?
C33 P2 C39 104.3(5) . . ?
C39 P2 Cu9 112.2(4) . . ?
C39 P2 C32 102.8(5) . . ?
C32A P2A Cu9 107.8(4) . . ?
C33A P2A Cu9 113.9(3) . . ?
C33A P2A C32A 105.1(6) . . ?
C33A P2A C39A 105.6(9) . . ?
C39A P2A Cu9 121.3(10) . . ?
C39A P2A C32A 101.4(10) . . ?
C45 P3 Cu12 116.4(2) . . ?
C45 P3 C51A 99.8(5) . . ?
C45 P3 C57 90.7(4) . . ?
C45 P3 C57A 116.4(5) . . ?
C51 P3 Cu12 120.0(3) . . ?
C51 P3 C45 106.9(3) . . ?
C51 P3 C57 106.8(5) . . ?
C51A P3 Cu12 113.2(4) . . ?
C57 P3 Cu12 111.8(3) . . ?
C57A P3 Cu12 107.1(3) . . ?
C57A P3 C51A 103.1(5) . . ?
Cu14 P4 C58 107.3(2) . . ?
C59 P4 Cu14 117.4(9) . . ?
C59 P4 C58 130.6(11) . . ?
C59 P4 C65 103.5(5) . . ?
C65 P4 Cu14 119.1(3) . . ?
C65 P4 C58 69.6(4) . . ?
C58A P4A Cu14 95.0(3) . . ?
C59A P4A Cu14 121.1(3) . . ?
C59A P4A C58A 77.6(4) . . ?
C65A P4A Cu14 110.0(5) . . ?
C65A P4A C58A 146.5(5) . . ?
C65A P4A C59A 106.1(6) . . ?
C71 O1 Cu13 125.6(10) . . ?
C71A O1A Cu13 120.0(9) . . ?
C71 O2 Cu5 119.4(9) . . ?
C71A O2A Cu5 125.9(9) . . ?
C73 O3 Cu7 123.4(3) . . ?
C73 O4 Cu4 122.9(3) . . ?
C75 O5 Cu2 121.9(3) . . ?
C75 O6 Cu8 123.7(3) . . ?
C2 C1 S2 117.0(6) . . ?
C2A C1 S2 123.3(7) . . ?
C2A C1 C6A 113.7(9) . . ?
C6 C1 S2 118.4(8) . . ?
C6 C1 C2 124.3(9) . . ?
C6A C1 S2 122.5(7) . . ?
C1 C2 H2 121.6 . . ?
C3 C2 C1 116.8(11) . . ?
C3 C2 H2 121.6 . . ?
C1 C2A H2A 118.9 . . ?
C1 C2A C3A 122.2(12) . . ?
C3A C2A H2A 118.9 . . ?
C2 C3 H3 119.7 . . ?
C2 C3 C4 120.6(10) . . ?
C4 C3 H3 119.7 . . ?
C2A C3A H3A 119.8 . . ?
C4 C3A C2A 120.3(13) . . ?
C4 C3A H3A 119.8 . . ?
C3 C4 C7 117.8(7) . . ?
C3A C4 C7 120.2(8) . . ?
C5 C4 C3 116.4(8) . . ?
C5 C4 C7 125.7(8) . . ?
C5A C4 C3A 121.4(9) . . ?
C5A C4 C7 118.2(8) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 C4 120.4(13) . . ?
C6 C5 H5 119.8 . . ?
C4 C5A H5A 120.2 . . ?
C4 C5A C6A 119.6(13) . . ?
C6A C5A H5A 120.2 . . ?
C1 C6 C5 121.4(14) . . ?
C1 C6 H6 119.3 . . ?
C5 C6 H6 119.3 . . ?
C1 C6A H6AA 107.2 . . ?
C1 C6A H6AB 107.2 . . ?
C5A C6A C1 120.4(13) . . ?
C5A C6A H6AA 107.2 . . ?
C5A C6A H6AB 107.2 . . ?
H6AA C6A H6AB 106.9 . . ?
C4 C7 H7A 107.7 . . ?
C4 C7 H7B 110.0 . . ?
C4 C7 C8 106.6(7) . . ?
C4 C7 C9A 107.8(6) . . ?
C8 C7 H7A 107.7 . . ?
C8A C7 C4 113.0(8) . . ?
C8A C7 H7B 110.0 . . ?
C8A C7 C9A 105.9(11) . . ?
C9 C7 C4 112.7(8) . . ?
C9 C7 H7A 107.7 . . ?
C9 C7 C8 114.1(10) . . ?
C9A C7 H7B 110.0 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8C 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8C C8 H8B 109.5 . . ?
C7 C8A H8AA 109.5 . . ?
C7 C8A H8AC 109.5 . . ?
C7 C8A H8AB 109.5 . . ?
H8AA C8A H8AC 109.5 . . ?
H8AA C8A H8AB 109.5 . . ?
H8AC C8A H8AB 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C9A H9AA 109.5 . . ?
C7 C9A H9AB 109.5 . . ?
C7 C9A H9AC 109.5 . . ?
H9AA C9A H9AB 109.5 . . ?
H9AA C9A H9AC 109.5 . . ?
H9AB C9A H9AC 109.5 . . ?
C11 C10 S1 123.3(6) . . ?
C11 C10 C15 118.4(7) . . ?
C11A C10 S1 113.0(4) . . ?
C15 C10 S1 113.3(5) . . ?
C15A C10 S1 132.8(7) . . ?
C15A C10 C11A 114.2(7) . . ?
C10 C11 H11 118.7 . . ?
C10 C11 C12 122.5(10) . . ?
C12 C11 H11 118.7 . . ?
C10 C11A H11A 121.4 . . ?
C12A C11A C10 117.2(9) . . ?
C12A C11A H11A 121.4 . . ?
C11 C12 H12 120.1 . . ?
C13 C12 C11 119.7(9) . . ?
C13 C12 H12 120.1 . . ?
C11A C12A H12A 118.7 . . ?
C11A C12A C13A 122.7(11) . . ?
C13A C12A H12A 118.7 . . ?
C12 C13 C16 120.2(10) . . ?
C14 C13 C12 120.6(9) . . ?
C14 C13 C16 119.2(10) . . ?
C12A C13A C14A 116.4(10) . . ?
C12A C13A C16A 120.1(11) . . ?
C14A C13A C16A 123.5(12) . . ?
C13 C14 H14 120.1 . . ?
C13 C14 C15 119.9(10) . . ?
C15 C14 H14 120.1 . . ?
C13A C14A H14A 119.2 . . ?
C15A C14A C13A 121.7(13) . . ?
C15A C14A H14A 119.2 . . ?
C10 C15 H15 121.3 . . ?
C14 C15 C10 117.4(9) . . ?
C14 C15 H15 121.3 . . ?
C10 C15A C14A 126.3(13) . . ?
C10 C15A H15A 116.8 . . ?
C14A C15A H15A 116.8 . . ?
C13 C16 H16 107.3 . . ?
C17 C16 C13 109.6(8) . . ?
C17 C16 H16 107.3 . . ?
C17 C16 C18 111.8(11) . . ?
C18 C16 C13 113.1(11) . . ?
C18 C16 H16 107.3 . . ?
C13A C16A H16A 102.9 . . ?
C17A C16A C13A 111.7(15) . . ?
C17A C16A H16A 102.9 . . ?
C18A C16A C13A 114.2(11) . . ?
C18A C16A H16A 102.9 . . ?
C18A C16A C17A 119.5(16) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16A C17A H17D 109.5 . . ?
C16A C17A H17E 109.5 . . ?
C16A C17A H17F 109.5 . . ?
H17D C17A H17E 109.5 . . ?
H17D C17A H17F 109.5 . . ?
H17E C17A H17F 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16A C18A H18D 109.5 . . ?
C16A C18A H18E 109.5 . . ?
C16A C18A H18F 109.5 . . ?
H18D C18A H18E 109.5 . . ?
H18D C18A H18F 109.5 . . ?
H18E C18A H18F 109.5 . . ?
C20A C19A P1A 128.4(8) . . ?
C24A C19A P1A 116.5(8) . . ?
C24A C19A C20A 114.7(11) . . ?
C19A C20A H20A 116.8 . . ?
C21A C20A C19A 126.3(10) . . ?
C21A C20A H20A 116.8 . . ?
C22 C21 H21 120.0 . . ?
C22 C21 C20 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C22 H22 120.0 . . ?
C21 C22 C23 120.0 . . ?
C23 C22 H22 120.0 . . ?
C22 C23 H23 120.0 . . ?
C24 C23 C22 120.0 . . ?
C24 C23 H23 120.0 . . ?
C23 C24 H24 120.0 . . ?
C19 C24 C23 120.0 . . ?
C19 C24 H24 120.0 . . ?
C24 C19 P1 118.0(8) . . ?
C24 C19 C20 120.0 . . ?
C20 C19 P1 121.8(8) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 C21 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20A C21A H21A 120.1 . . ?
C20A C21A C22A 119.8(11) . . ?
C22A C21A H21A 120.1 . . ?
C21A C22A H22A 121.5 . . ?
C21A C22A C23A 117.0(13) . . ?
C23A C22A H22A 121.5 . . ?
C22A C23A H23A 118.9 . . ?
C24A C23A C22A 122.2(11) . . ?
C24A C23A H23A 118.9 . . ?
C19A C24A C23A 119.9(10) . . ?
C19A C24A H24A 120.0 . . ?
C23A C24A H24A 120.0 . . ?
C26 C25 P1 120.4(10) . . ?
C26 C25 C30 111.9(15) . . ?
C30 C25 P1 127.1(13) . . ?
C26A C25A P1A 118.1(7) . . ?
C26A C25A C30A 124.2(10) . . ?
C30A C25A P1A 117.5(8) . . ?
C25 C26 H26 118.7 . . ?
C27 C26 C25 122.6(14) . . ?
C27 C26 H26 118.7 . . ?
C25A C26A H26A 120.8 . . ?
C25A C26A C27A 118.4(9) . . ?
C27A C26A H26A 120.8 . . ?
C26 C27 H27 119.3 . . ?
C28 C27 C26 121.5(18) . . ?
C28 C27 H27 119.3 . . ?
C26A C27A H27A 120.3 . . ?
C26A C27A C28A 119.5(10) . . ?
C28A C27A H27A 120.3 . . ?
C27 C28 H28 119.3 . . ?
C29 C28 C27 121.4(17) . . ?
C29 C28 H28 119.3 . . ?
C27A C28A H28A 120.1 . . ?
C29A C28A C27A 119.8(10) . . ?
C29A C28A H28A 120.1 . . ?
C28 C29 H29 121.0 . . ?
C28 C29 C30 118.0(15) . . ?
C30 C29 H29 121.0 . . ?
C28A C29A H29A 119.2 . . ?
C30A C29A C28A 121.7(9) . . ?
C30A C29A H29A 119.2 . . ?
C25 C30 H30 118.4 . . ?
C29 C30 C25 123.3(17) . . ?
C29 C30 H30 118.4 . . ?
C25A C30A C29A 115.7(9) . . ?
C25A C30A H30A 122.1 . . ?
C29A C30A H30A 122.1 . . ?
P1 C31 H31A 108.7 . . ?
P1 C31 H31B 108.7 . . ?
H31A C31 H31B 107.6 . . ?
C32 C31 P1 114.1(9) . . ?
C32 C31 H31A 108.7 . . ?
C32 C31 H31B 108.7 . . ?
P1A C31A H31C 109.4 . . ?
P1A C31A H31D 109.4 . . ?
H31C C31A H31D 108.0 . . ?
C32A C31A P1A 111.0(8) . . ?
C32A C31A H31C 109.4 . . ?
C32A C31A H31D 109.4 . . ?
P2 C32 H32A 109.0 . . ?
P2 C32 H32B 109.0 . . ?
C31 C32 P2 112.8(9) . . ?
C31 C32 H32A 109.0 . . ?
C31 C32 H32B 109.0 . . ?
H32A C32 H32B 107.8 . . ?
P2A C32A H32C 108.8 . . ?
P2A C32A H32D 108.8 . . ?
C31A C32A P2A 114.0(7) . . ?
C31A C32A H32C 108.8 . . ?
C31A C32A H32D 108.8 . . ?
H32C C32A H32D 107.6 . . ?
C34 C33 P2 122.1(8) . . ?
C38 C33 P2 119.9(8) . . ?
C38 C33 C34 117.9(10) . . ?
C34A C33A P2A 120.4(8) . . ?
C34A C33A C38A 117.0(10) . . ?
C38A C33A P2A 122.6(9) . . ?
C33 C34 H34 119.4 . . ?
C35 C34 C33 121.2(11) . . ?
C35 C34 H34 119.4 . . ?
C33A C34A H34A 119.2 . . ?
C35A C34A C33A 121.6(10) . . ?
C35A C34A H34A 119.2 . . ?
C34 C35 H35 120.2 . . ?
C36 C35 C34 119.6(11) . . ?
C36 C35 H35 120.2 . . ?
C34A C35A H35A 120.0 . . ?
C36A C35A C34A 120.1(12) . . ?
C36A C35A H35A 120.0 . . ?
C35 C36 H36 119.0 . . ?
C35 C36 C37 122.0(13) . . ?
C37 C36 H36 119.0 . . ?
C35A C36A H36A 120.0 . . ?
C37A C36A C35A 120.0(12) . . ?
C37A C36A H36A 120.0 . . ?
C36 C37 H37 120.4 . . ?
C36 C37 C38 119.2(12) . . ?
C38 C37 H37 120.4 . . ?
C36A C37A H37A 119.6 . . ?
C36A C37A C38A 120.8(12) . . ?
C38A C37A H37A 119.6 . . ?
C33 C38 C37 120.1(11) . . ?
C33 C38 H38 120.0 . . ?
C37 C38 H38 120.0 . . ?
C33A C38A H38A 119.8 . . ?
C37A C38A C33A 120.5(11) . . ?
C37A C38A H38A 119.8 . . ?
C40 C39 P2 124.0(10) . . ?
C40 C39 C44 119.1(14) . . ?
C44 C39 P2 116.0(12) . . ?
C40A C39A P2A 123.9(13) . . ?
C44A C39A P2A 119.9(17) . . ?
C44A C39A C40A 113.6(19) . . ?
C39 C40 H40 119.6 . . ?
C39 C40 C41 120.8(14) . . ?
C41 C40 H40 119.6 . . ?
C39A C40A H40A 119.2 . . ?
C41A C40A C39A 121.6(14) . . ?
C41A C40A H40A 119.2 . . ?
C40 C41 H41 120.1 . . ?
C42 C41 C40 119.8(13) . . ?
C42 C41 H41 120.1 . . ?
C40A C41A H41A 120.1 . . ?
C42A C41A C40A 119.7(13) . . ?
C42A C41A H41A 120.1 . . ?
C41 C42 H42 118.8 . . ?
C41 C42 C43 122.4(13) . . ?
C43 C42 H42 118.8 . . ?
C41A C42A H42A 120.2 . . ?
C41A C42A C43A 119.6(14) . . ?
C43A C42A H42A 120.2 . . ?
C42 C43 H43 119.2 . . ?
C42 C43 C44 121.5(17) . . ?
C44 C43 H43 119.2 . . ?
C42A C43A H43A 119.6 . . ?
C42A C43A C44A 120.7(14) . . ?
C44A C43A H43A 119.6 . . ?
C39 C44 H44 122.4 . . ?
C43 C44 C39 115(2) . . ?
C43 C44 H44 122.4 . . ?
C39A C44A H44A 118.0 . . ?
C43A C44A C39A 123.9(16) . . ?
C43A C44A H44A 118.0 . . ?
C46 C45 P3 120.8(5) . . ?
C46A C45 P3 115.5(6) . . ?
C50 C45 P3 120.1(4) . . ?
C50 C45 C46 113.0(6) . . ?
C50 C45 C46A 118.6(6) . . ?
C45 C46 H46 118.9 . . ?
C47 C46 C45 122.3(8) . . ?
C47 C46 H46 118.9 . . ?
C45 C46A H46A 121.6 . . ?
C47A C46A C45 116.8(9) . . ?
C47A C46A H46A 121.6 . . ?
C46 C47 H47 119.9 . . ?
C48 C47 C46 120.2(9) . . ?
C48 C47 H47 119.9 . . ?
C46A C47A H47A 119.7 . . ?
C46A C47A C48A 120.5(10) . . ?
C48A C47A H47A 119.7 . . ?
C47 C48 H48 120.3 . . ?
C49 C48 C47 119.4(12) . . ?
C49 C48 H48 120.3 . . ?
C47A C48A H48A 120.6 . . ?
C47A C48A C49A 118.7(15) . . ?
C49A C48A H48A 120.6 . . ?
C48 C49 H49 119.8 . . ?
C48 C49 C50 120.4(15) . . ?
C50 C49 H49 119.8 . . ?
C48A C49A H49A 118.5 . . ?
C50 C49A C48A 123(2) . . ?
C50 C49A H49A 118.5 . . ?
C45 C50 C49 122.6(9) . . ?
C45 C50 H50 120.2 . . ?
C45 C50 H50A 118.7 . . ?
C49 C50 H50A 118.7 . . ?
C49A C50 C45 119.7(14) . . ?
C49A C50 H50 120.2 . . ?
C52 C51 P3 123.4(8) . . ?
C56 C51 P3 117.1(7) . . ?
C56 C51 C52 118.7(9) . . ?
C52A C51A P3 120.1(9) . . ?
C52A C51A C56A 119.1(11) . . ?
C56A C51A P3 120.8(10) . . ?
C51 C52 H52 120.0 . . ?
C53 C52 C51 119.9(10) . . ?
C53 C52 H52 120.0 . . ?
C51A C52A H52A 119.8 . . ?
C51A C52A C53A 120.4(10) . . ?
C53A C52A H52A 119.8 . . ?
C52 C53 H53 119.0 . . ?
C54 C53 C52 121.9(9) . . ?
C54 C53 H53 119.0 . . ?
C52A C53A H53A 120.0 . . ?
C52A C53A C54A 120.1(11) . . ?
C54A C53A H53A 120.0 . . ?
C53 C54 H54 120.1 . . ?
C53 C54 C55 119.7(8) . . ?
C55 C54 H54 120.1 . . ?
C53A C54A H54A 120.3 . . ?
C55A C54A C53A 119.4(11) . . ?
C55A C54A H54A 120.3 . . ?
C54 C55 H55 120.7 . . ?
C54 C55 C56 118.6(9) . . ?
C56 C55 H55 120.7 . . ?
C54A C55A H55A 118.9 . . ?
C54A C55A C56A 122.1(12) . . ?
C56A C55A H55A 118.9 . . ?
C51 C56 C55 120.6(8) . . ?
C51 C56 H56 119.7 . . ?
C55 C56 H56 119.7 . . ?
C51A C56A H56A 120.7 . . ?
C55A C56A C51A 118.6(13) . . ?
C55A C56A H56A 120.7 . . ?
P3 C57 H57B 109.7 . . ?
P3 C57 H57A 109.7 . . ?
H57B C57 H57A 108.2 . . ?
C58 C57 P3 109.7(7) . . ?
C58 C57 H57B 109.7 . . ?
C58 C57 H57A 109.7 . . ?
P3 C57A H57C 110.0 . . ?
P3 C57A H57D 110.0 . . ?
H57C C57A H57D 108.4 . . ?
C58A C57A P3 108.3(7) . . ?
C58A C57A H57C 110.0 . . ?
C58A C57A H57D 110.0 . . ?
P4 C58 H58A 112.8 . . ?
P4 C58 H58B 112.8 . . ?
C57 C58 P4 94.7(5) . . ?
C57 C58 H58A 112.8 . . ?
C57 C58 H58B 112.8 . . ?
H58A C58 H58B 110.2 . . ?
P4A C58A H58C 113.2 . . ?
P4A C58A H58D 113.2 . . ?
C57A C58A P4A 92.6(6) . . ?
C57A C58A H58C 113.2 . . ?
C57A C58A H58D 113.2 . . ?
H58C C58A H58D 110.5 . . ?
C60 C59 P4 117.5(10) . . ?
C60 C59 C64 118.1(15) . . ?
C64 C59 P4 124.4(11) . . ?
C60A C59A P4A 116.1(9) . . ?
C60A C59A C64A 121.8(10) . . ?
C64A C59A P4A 121.9(7) . . ?
C59 C60 H60 119.4 . . ?
C61 C60 C59 121.2(14) . . ?
C61 C60 H60 119.4 . . ?
C59A C60A H60A 121.9 . . ?
C59A C60A C61A 116.2(12) . . ?
C61A C60A H60A 121.9 . . ?
C60 C61 H61 120.0 . . ?
C60 C61 C62 120.0(13) . . ?
C62 C61 H61 120.0 . . ?
C60A C61A H61A 120.9 . . ?
C62A C61A C60A 118.2(12) . . ?
C62A C61A H61A 120.9 . . ?
C61 C62 H62 120.4 . . ?
C61 C62 C63 119.2(12) . . ?
C63 C62 H62 120.4 . . ?
C61A C62A H62A 118.2 . . ?
C61A C62A C63A 123.6(11) . . ?
C63A C62A H62A 118.2 . . ?
C62 C63 H63 119.7 . . ?
C62 C63 C64 120.6(13) . . ?
C64 C63 H63 119.7 . . ?
C62A C63A C64A 118.2(10) . . ?
C59 C64 H64 119.7 . . ?
C63 C64 C59 120.6(14) . . ?
C63 C64 H64 119.7 . . ?
C59A C64A H64A 119.1 . . ?
C63A C64A C59A 121.9(10) . . ?
C63A C64A H64A 119.1 . . ?
C66 C65 P4 122.3(8) . . ?
C70 C65 P4 118.6(8) . . ?
C70 C65 C66 118.8(10) . . ?
C66A C65A P4A 121.8(12) . . ?
C70A C65A P4A 119.7(10) . . ?
C70A C65A C66A 118.3(13) . . ?
C65 C66 H66 119.3 . . ?
C65 C66 C67 121.3(10) . . ?
C67 C66 H66 119.3 . . ?
C65A C66A H66A 119.7 . . ?
C67A C66A C65A 120.7(14) . . ?
C67A C66A H66A 119.7 . . ?
C66 C67 H67 120.0 . . ?
C68 C67 C66 119.9(9) . . ?
C68 C67 H67 120.0 . . ?
C66A C67A H67A 120.7 . . ?
C66A C67A C68A 118.6(14) . . ?
C68A C67A H67A 120.7 . . ?
C67 C68 H68 119.8 . . ?
C67 C68 C69 120.4(11) . . ?
C69 C68 H68 119.8 . . ?
C67A C68A H68A 119.2 . . ?
C69A C68A C67A 121.5(12) . . ?
C69A C68A H68A 119.2 . . ?
C68 C69 H69 120.6 . . ?
C68 C69 C70 118.8(14) . . ?
C70 C69 H69 120.6 . . ?
C68A C69A H69A 119.8 . . ?
C68A C69A C70A 120.4(13) . . ?
C70A C69A H69A 119.8 . . ?
C65 C70 C69 120.8(13) . . ?
C65 C70 H70 119.6 . . ?
C69 C70 H70 119.6 . . ?
C65A C70A C69A 120.5(13) . . ?
C65A C70A H70A 119.8 . . ?
C69A C70A H70A 119.8 . . ?
O1 C71 O2 126.1(13) . . ?
O1 C71 C72 115.0(15) . . ?
O2 C71 C72 118.8(12) . . ?
O1A C71A O2A 124.8(11) . . ?
O1A C71A C72A 117.0(12) . . ?
O2A C71A C72A 118.0(14) . . ?
C71 C72 H72A 109.5 . . ?
C71 C72 H72B 109.5 . . ?
C71 C72 H72C 109.5 . . ?
H72A C72 H72B 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C71A C72A H72F 109.5 . . ?
C71A C72A H72D 109.5 . . ?
C71A C72A H72E 109.5 . . ?
H72F C72A H72D 109.5 . . ?
H72F C72A H72E 109.5 . . ?
H72D C72A H72E 109.5 . . ?
O3 C73 C74 117.2(5) . . ?
O4 C73 O3 126.3(4) . . ?
O4 C73 C74 116.5(5) . . ?
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 . . ?
O5 C75 C76 117.6(4) . . ?
O6 C75 O5 126.0(4) . . ?
O6 C75 C76 116.4(4) . . ?
C75 C76 H76A 109.5 . . ?
C75 C76 H76B 109.5 . . ?
C75 C76 H76C 109.5 . . ?
H76A C76 H76B 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 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
Cu2 S1 C10 C11 -144.9(7) . . . . ?
Cu2 S1 C10 C11A -100.1(4) . . . . ?
Cu2 S1 C10 C15 60.5(5) . . . . ?
Cu2 S1 C10 C15A 80.6(9) . . . . ?
Cu2 O5 C75 O6 0.0(7) . . . . ?
Cu2 O5 C75 C76 180.0(3) . . . . ?
Cu3 Cu5 O2 C71 -56.9(12) 3_566 . . . ?
Cu4 Cu5 O2 C71 -138.9(10) . . . . ?
Cu4 S2 C1 C2 130.6(6) 3_566 . . . ?
Cu4 S2 C1 C2A 97.3(9) 3_566 . . . ?
Cu4 S2 C1 C6 -55.6(8) 3_566 . . . ?
Cu4 S2 C1 C6A -74.5(8) 3_566 . . . ?
Cu4 O4 C73 O3 -3.8(6) . . . . ?
Cu4 O4 C73 C74 176.9(3) . . . . ?
Cu5 O2 C71 O1 6(2) . . . . ?
Cu5 O2 C71 C72 -176.2(10) . . . . ?
Cu5 O2A C71A O1A -6.1(18) . . . . ?
Cu5 O2A C71A C72A 178.1(8) . . . . ?
Cu6 S1 C10 C11 9.2(8) . . . . ?
Cu6 S1 C10 C11A 54.0(5) . . . . ?
Cu6 S1 C10 C15 -145.4(5) . . . . ?
Cu6 S1 C10 C15A -125.3(8) . . . . ?
Cu6 P1 C19 C24 -50.1(7) . . . . ?
Cu6 P1 C19 C20 134.8(5) . . . . ?
Cu6 P1 C25 C26 -23.5(14) . . . . ?
Cu6 P1 C25 C30 146.4(14) . . . . ?
Cu6 P1 C31 C32 -67.8(9) . . . . ?
Cu6 P1A C19A C20A 116.2(9) . . . . ?
Cu6 P1A C19A C24A -55.8(9) . . . . ?
Cu6 P1A C25A C26A 4.3(15) . . . . ?
Cu6 P1A C25A C30A -170.5(11) . . . . ?
Cu6 P1A C31A C32A -75.9(7) . . . . ?
Cu7 Cu5 O2 C71 142.0(10) . . . . ?
Cu7 S1 C10 C11 -65.3(8) . . . . ?
Cu7 S1 C10 C11A -20.5(5) . . . . ?
Cu7 S1 C10 C15 140.1(5) . . . . ?
Cu7 S1 C10 C15A 160.2(8) . . . . ?
Cu7 O3 C73 O4 6.8(6) . . . . ?
Cu7 O3 C73 C74 -173.9(3) . . . . ?
Cu8 S2 C1 C2 55.0(6) 3_566 . . . ?
Cu8 S2 C1 C2A 21.7(10) 3_566 . . . ?
Cu8 S2 C1 C6 -131.2(7) 3_566 . . . ?
Cu8 S2 C1 C6A -150.0(7) 3_566 . . . ?
Cu8 O6 C75 O5 -5.6(7) . . . . ?
Cu8 O6 C75 C76 174.5(3) . . . . ?
Cu9 S2 C1 C2 -19.6(6) . . . . ?
Cu9 S2 C1 C2A -52.9(9) . . . . ?
Cu9 S2 C1 C6 154.2(7) . . . . ?
Cu9 S2 C1 C6A 135.4(8) . . . . ?
Cu9 P2 C32 C31 -81.7(8) . . . . ?
Cu9 P2 C33 C34 163.3(8) . . . . ?
Cu9 P2 C33 C38 -13.5(12) . . . . ?
Cu9 P2 C39 C40 131.7(10) . . . . ?
Cu9 P2 C39 C44 -37.1(15) . . . . ?
Cu9 P2A C32A C31A -61.4(8) . . . . ?
Cu9 P2A C33A C34A -4.6(15) . . . . ?
Cu9 P2A C33A C38A 178.3(13) . . . . ?
Cu9 P2A C39A C40A 99(2) . . . . ?
Cu9 P2A C39A C44A -62(2) . . . . ?
Cu10 Cu5 O2 C71 54.1(12) . . . . ?
Cu12 S1 C10 C11 134.7(7) . . . . ?
Cu12 S1 C10 C11A 179.5(4) . . . . ?
Cu12 S1 C10 C15 -19.9(5) . . . . ?
Cu12 S1 C10 C15A 0.2(9) . . . . ?
Cu12 P3 C45 C46 118.3(7) . . . . ?
Cu12 P3 C45 C46A 174.8(5) . . . . ?
Cu12 P3 C45 C50 -32.3(7) . . . . ?
Cu12 P3 C51 C52 171.1(6) . . . . ?
Cu12 P3 C51 C56 1.4(9) . . . . ?
Cu12 P3 C57 C58 -78.3(6) . . . . ?
Cu12 P3 C57A C58A 73.9(7) . . . . ?
Cu13 Cu5 O2 C71 -1.4(11) . . . . ?
Cu13 O1 C71 O2 -9(2) . . . . ?
Cu13 O1 C71 C72 173.5(10) . . . . ?
Cu13 O1A C71A O2A 1.6(17) . . . . ?
Cu13 O1A C71A C72A 177.4(9) . . . . ?
Cu14 S2 C1 C2 -152.3(5) . . . . ?
Cu14 S2 C1 C2A 174.3(9) . . . . ?
Cu14 S2 C1 C6 21.5(8) . . . . ?
Cu14 S2 C1 C6A 2.6(8) . . . . ?
Cu14 P4 C59 C60 49(3) . . . . ?
Cu14 P4 C59 C64 -127(2) . . . . ?
Cu14 P4 C65 C66 -156.5(7) . . . . ?
Cu14 P4 C65 C70 29.4(12) . . . . ?
Cu14 P4A C59A C60A 0.7(10) . . . . ?
Cu14 P4A C59A C64A -176.1(6) . . . . ?
Cu14 P4A C65A C66A 110.3(10) . . . . ?
Cu14 P4A C65A C70A -63.5(11) . . . . ?
S1 C10 C11 C12 -166.2(9) . . . . ?
S1 C10 C11A C12A -167.6(7) . . . . ?
S1 C10 C15 C14 167.1(6) . . . . ?
S1 C10 C15A C14A 165.1(10) . . . . ?
S2 C1 C2 C3 175.2(8) . . . . ?
S2 C1 C2A C3A 175.2(11) . . . . ?
S2 C1 C6 C5 -174.3(9) . . . . ?
S2 C1 C6A C5A -170.1(9) . . . . ?
P1 C19 C20 C21 175.0(8) . . . . ?
P1 C25 C26 C27 -178.4(13) . . . . ?
P1 C25 C30 C29 175.8(15) . . . . ?
P1 C31 C32 P2 121.8(8) . . . . ?
P1A C19A C20A C21A -175.2(10) . . . . ?
P1A C19A C24A C23A 174.1(9) . . . . ?
P1A C25A C26A C27A 178.9(12) . . . . ?
P1A C25A C30A C29A -174.5(12) . . . . ?
P1A C31A C32A P2A 120.9(7) . . . . ?
P2 C33 C34 C35 -176.1(10) . . . . ?
P2 C33 C38 C37 175.7(11) . . . . ?
P2 C39 C40 C41 -178.2(11) . . . . ?
P2 C39 C44 C43 -177.6(15) . . . . ?
P2A C33A C34A C35A 178.4(14) . . . . ?
P2A C33A C38A C37A 179.1(15) . . . . ?
P2A C39A C40A C41A -172.6(16) . . . . ?
P2A C39A C44A C43A 172.1(15) . . . . ?
P3 C45 C46 C47 -169.0(9) . . . . ?
P3 C45 C46A C47A 172.2(8) . . . . ?
P3 C45 C50 C49 167.6(9) . . . . ?
P3 C45 C50 C49A -166.5(10) . . . . ?
P3 C51 C52 C53 -178.2(7) . . . . ?
P3 C51 C56 C55 176.1(6) . . . . ?
P3 C51A C52A C53A -174.6(9) . . . . ?
P3 C51A C56A C55A 173.4(10) . . . . ?
P3 C57 C58 P4 120.9(5) . . . . ?
P3 C57A C58A P4A -137.9(5) . . . . ?
P4 C59 C60 C61 -179.8(16) . . . . ?
P4 C59 C64 C63 176.1(18) . . . . ?
P4 C65 C66 C67 -174.8(7) . . . . ?
P4 C65 C70 C69 174.4(15) . . . . ?
P4A C59A C60A C61A -178.2(10) . . . . ?
P4A C59A C64A C63A 177.6(7) . . . . ?
P4A C65A C66A C67A -174.4(11) . . . . ?
P4A C65A C70A C69A 174.8(10) . . . . ?
C1 C2 C3 C4 0.3(15) . . . . ?
C1 C2A C3A C4 0(2) . . . . ?
C2 C1 C6 C5 -1.0(17) . . . . ?
C2 C3 C4 C5 -2.8(15) . . . . ?
C2 C3 C4 C7 -178.6(9) . . . . ?
C2A C1 C6A C5A 17.5(16) . . . . ?
C2A C3A C4 C5A 8(2) . . . . ?
C2A C3A C4 C7 -177.7(12) . . . . ?
C3 C4 C5 C6 3.6(15) . . . . ?
C3 C4 C7 C8 81.4(11) . . . . ?
C3 C4 C7 C9 -152.7(11) . . . . ?
C3A C4 C5A C6A -2.8(19) . . . . ?
C3A C4 C7 C8A 159.2(13) . . . . ?
C3A C4 C7 C9A -84.0(13) . . . . ?
C4 C5 C6 C1 -1.8(18) . . . . ?
C4 C5A C6A C1 -10.5(19) . . . . ?
C5 C4 C7 C8 -93.9(12) . . . . ?
C5 C4 C7 C9 32.0(13) . . . . ?
C5A C4 C7 C8A -26.4(14) . . . . ?
C5A C4 C7 C9A 90.3(12) . . . . ?
C6 C1 C2 C3 1.8(15) . . . . ?
C6A C1 C2A C3A -12.4(19) . . . . ?
C7 C4 C5 C6 179.0(9) . . . . ?
C7 C4 C5A C6A -177.0(10) . . . . ?
C10 C11 C12 C13 10.9(19) . . . . ?
C10 C11A C12A C13A -2.7(14) . . . . ?
C11 C10 C15 C14 11.1(12) . . . . ?
C11 C12 C13 C14 -7.1(18) . . . . ?
C11 C12 C13 C16 172.1(10) . . . . ?
C11A C10 C15A C14A -14.2(16) . . . . ?
C11A C12A C13A C14A -4.6(17) . . . . ?
C11A C12A C13A C16A 172.7(10) . . . . ?
C12 C13 C14 C15 6.2(15) . . . . ?
C12 C13 C16 C17 -67.1(14) . . . . ?
C12 C13 C16 C18 58.5(15) . . . . ?
C12A C13A C14A C15A 3.5(19) . . . . ?
C12A C13A C16A C17A 133.0(18) . . . . ?
C12A C13A C16A C18A -87.5(17) . . . . ?
C13 C14 C15 C10 -7.8(12) . . . . ?
C13A C14A C15A C10 7(2) . . . . ?
C14 C13 C16 C17 112.1(12) . . . . ?
C14 C13 C16 C18 -122.3(13) . . . . ?
C14A C13A C16A C17A -50(2) . . . . ?
C14A C13A C16A C18A 89.6(17) . . . . ?
C15 C10 C11 C12 -12.7(15) . . . . ?
C15A C10 C11A C12A 11.8(11) . . . . ?
C16 C13 C14 C15 -173.0(8) . . . . ?
C16A C13A C14A C15A -173.7(12) . . . . ?
C19A P1A C25A C26A 129.1(12) . . . . ?
C19A P1A C25A C30A -45.8(14) . . . . ?
C19A P1A C31A C32A 168.9(7) . . . . ?
C19A C20A C21A C22A 2.2(18) . . . . ?
C20A C19A C24A C23A 1.0(15) . . . . ?
C20A C21A C22A C23A 0.8(16) . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
C22 C21 C20 C19 0.0 . . . . ?
C22 C23 C24 C19 0.0 . . . . ?
C23 C24 C19 P1 -175.1(7) . . . . ?
C23 C24 C19 C20 0.0 . . . . ?
C24 C19 C20 C21 0.0 . . . . ?
C19 P1 C25 C26 111.0(13) . . . . ?
C19 P1 C25 C30 -79.1(15) . . . . ?
C19 P1 C31 C32 165.4(9) . . . . ?
C20 C21 C22 C23 0.0 . . . . ?
C21A C22A C23A C24A -2.7(17) . . . . ?
C22A C23A C24A C19A 1.8(17) . . . . ?
C24A C19A C20A C21A -3.1(17) . . . . ?
C25 P1 C19 C24 176.1(6) . . . . ?
C25 P1 C19 C20 1.1(8) . . . . ?
C25 P1 C31 C32 57.0(10) . . . . ?
C25 C26 C27 C28 -6(3) . . . . ?
C25A P1A C19A C20A -17.8(11) . . . . ?
C25A P1A C19A C24A 170.2(9) . . . . ?
C25A P1A C31A C32A 57.7(8) . . . . ?
C25A C26A C27A C28A 0(2) . . . . ?
C26 C25 C30 C29 -14(2) . . . . ?
C26 C27 C28 C29 3(3) . . . . ?
C26A C25A C30A C29A 11(2) . . . . ?
C26A C27A C28A C29A 1(2) . . . . ?
C27 C28 C29 C30 -6(3) . . . . ?
C27A C28A C29A C30A 4(2) . . . . ?
C28 C29 C30 C25 12(3) . . . . ?
C28A C29A C30A C25A -9(2) . . . . ?
C30 C25 C26 C27 10(2) . . . . ?
C30A C25A C26A C27A -7(2) . . . . ?
C31 P1 C19 C24 68.8(7) . . . . ?
C31 P1 C19 C20 -106.2(7) . . . . ?
C31 P1 C25 C26 -141.2(13) . . . . ?
C31 P1 C25 C30 28.7(16) . . . . ?
C31A P1A C19A C20A -125.4(10) . . . . ?
C31A P1A C19A C24A 62.6(10) . . . . ?
C31A P1A C25A C26A -122.1(12) . . . . ?
C31A P1A C25A C30A 63.0(14) . . . . ?
C32 P2 C33 C34 38.9(11) . . . . ?
C32 P2 C33 C38 -137.9(10) . . . . ?
C32 P2 C39 C40 -110.9(11) . . . . ?
C32 P2 C39 C44 80.3(15) . . . . ?
C32A P2A C33A C34A -122.4(13) . . . . ?
C32A P2A C33A C38A 60.5(15) . . . . ?
C32A P2A C39A C40A -142(2) . . . . ?
C32A P2A C39A C44A 58(2) . . . . ?
C33 P2 C32 C31 50.3(8) . . . . ?
C33 P2 C39 C40 -2.1(12) . . . . ?
C33 P2 C39 C44 -170.9(14) . . . . ?
C33 C34 C35 C36 -1(2) . . . . ?
C33A P2A C32A C31A 60.4(8) . . . . ?
C33A P2A C39A C40A -32(3) . . . . ?
C33A P2A C39A C44A 167(2) . . . . ?
C33A C34A C35A C36A 5(3) . . . . ?
C34 C33 C38 C37 -1.3(19) . . . . ?
C34 C35 C36 C37 1(2) . . . . ?
C34A C33A C38A C37A 2(3) . . . . ?
C34A C35A C36A C37A -2(3) . . . . ?
C35 C36 C37 C38 -2(2) . . . . ?
C35A C36A C37A C38A 0(3) . . . . ?
C36 C37 C38 C33 2(2) . . . . ?
C36A C37A C38A C33A 0(3) . . . . ?
C38 C33 C34 C35 0.7(19) . . . . ?
C38A C33A C34A C35A -4(3) . . . . ?
C39 P2 C32 C31 158.9(7) . . . . ?
C39 P2 C33 C34 -68.6(11) . . . . ?
C39 P2 C33 C38 114.6(10) . . . . ?
C39 C40 C41 C42 3(2) . . . . ?
C39A P2A C32A C31A 170.2(11) . . . . ?
C39A P2A C33A C34A 130.9(16) . . . . ?
C39A P2A C33A C38A -46.2(18) . . . . ?
C39A C40A C41A C42A 6(3) . . . . ?
C40 C39 C44 C43 13(3) . . . . ?
C40 C41 C42 C43 0(3) . . . . ?
C40A C39A C44A C43A 9(3) . . . . ?
C40A C41A C42A C43A 0(2) . . . . ?
C41 C42 C43 C44 4(3) . . . . ?
C41A C42A C43A C44A -2(2) . . . . ?
C42 C43 C44 C39 -10(3) . . . . ?
C42A C43A C44A C39A -4(3) . . . . ?
C44 C39 C40 C41 -10(2) . . . . ?
C44A C39A C40A C41A -11(3) . . . . ?
C45 P3 C51 C52 -53.5(9) . . . . ?
C45 P3 C51 C56 136.8(7) . . . . ?
C45 P3 C57 C58 162.8(6) . . . . ?
C45 P3 C57A C58A -58.3(7) . . . . ?
C45 C46 C47 C48 9.0(18) . . . . ?
C45 C46A C47A C48A -9.5(16) . . . . ?
C46 C45 C50 C49 14.9(13) . . . . ?
C46 C47 C48 C49 1(2) . . . . ?
C46A C45 C50 C49A -14.4(13) . . . . ?
C46A C47A C48A C49A -3.8(19) . . . . ?
C47 C48 C49 C50 -3(2) . . . . ?
C47A C48A C49A C50 9(2) . . . . ?
C48 C49 C50 C45 -6(2) . . . . ?
C48A C49A C50 C45 1(2) . . . . ?
C50 C45 C46 C47 -16.5(14) . . . . ?
C50 C45 C46A C47A 18.9(13) . . . . ?
C51 P3 C45 C46 -19.0(8) . . . . ?
C51 P3 C45 C50 -169.6(6) . . . . ?
C51 P3 C57 C58 54.8(7) . . . . ?
C51 C52 C53 C54 5.6(15) . . . . ?
C51A P3 C45 C46A 52.6(8) . . . . ?
C51A P3 C45 C50 -154.5(7) . . . . ?
C51A P3 C57A C58A -166.4(7) . . . . ?
C51A C52A C53A C54A -2.0(18) . . . . ?
C52 C51 C56 C55 5.9(13) . . . . ?
C52 C53 C54 C55 0.3(15) . . . . ?
C52A C51A C56A C55A -7(2) . . . . ?
C52A C53A C54A C55A -0.5(18) . . . . ?
C53 C54 C55 C56 -3.0(14) . . . . ?
C53A C54A C55A C56A -1(2) . . . . ?
C54 C55 C56 C51 -0.2(13) . . . . ?
C54A C55A C56A C51A 4(2) . . . . ?
C56 C51 C52 C53 -8.6(13) . . . . ?
C56A C51A C52A C53A 6(2) . . . . ?
C57 P3 C45 C46 -126.8(8) . . . . ?
C57 P3 C45 C50 82.7(6) . . . . ?
C57 P3 C51 C52 42.6(9) . . . . ?
C57 P3 C51 C56 -127.2(7) . . . . ?
C57A P3 C45 C46A -57.4(7) . . . . ?
C57A P3 C45 C50 95.5(7) . . . . ?
C58 P4 C59 C60 -103(2) . . . . ?
C58 P4 C59 C64 81(3) . . . . ?
C58 P4 C65 C66 -57.5(8) . . . . ?
C58 P4 C65 C70 128.4(12) . . . . ?
C58A P4A C59A C60A -87.6(9) . . . . ?
C58A P4A C59A C64A 95.5(8) . . . . ?
C58A P4A C65A C66A -114.0(11) . . . . ?
C58A P4A C65A C70A 72.2(15) . . . . ?
C59 P4 C65 C66 71.1(14) . . . . ?
C59 P4 C65 C70 -103.0(16) . . . . ?
C59 C60 C61 C62 5(3) . . . . ?
C59A P4A C65A C66A -22.3(12) . . . . ?
C59A P4A C65A C70A 164.0(10) . . . . ?
C59A C60A C61A C62A 2(2) . . . . ?
C60 C59 C64 C63 -1(4) . . . . ?
C60 C61 C62 C63 -3(2) . . . . ?
C60A C59A C64A C63A 1.0(15) . . . . ?
C60A C61A C62A C63A -3(2) . . . . ?
C61 C62 C63 C64 0(3) . . . . ?
C61A C62A C63A C64A 2.4(18) . . . . ?
C62 C63 C64 C59 2(3) . . . . ?
C62A C63A C64A C59A -1.3(15) . . . . ?
C64 C59 C60 C61 -3(4) . . . . ?
C64A C59A C60A C61A -1.3(17) . . . . ?
C65 P4 C59 C60 -177(2) . . . . ?
C65 P4 C59 C64 6(3) . . . . ?
C65 C66 C67 C68 0.6(16) . . . . ?
C65A P4A C59A C60A 126.8(9) . . . . ?
C65A P4A C59A C64A -50.0(9) . . . . ?
C65A C66A C67A C68A -1(2) . . . . ?
C66 C65 C70 C69 0(2) . . . . ?
C66 C67 C68 C69 0(2) . . . . ?
C66A C65A C70A C69A 0.8(18) . . . . ?
C66A C67A C68A C69A 1(2) . . . . ?
C67 C68 C69 C70 -1(3) . . . . ?
C67A C68A C69A C70A -1(2) . . . . ?
C68 C69 C70 C65 1(3) . . . . ?
C68A C69A C70A C65A 0(2) . . . . ?
C70 C65 C66 C67 -0.7(17) . . . . ?
C70A C65A C66A C67A -0.6(18) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.289
_oxdiff_exptl_absorpt_empirical_full_min 0.806
####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 2102458'
loop_
_audit_author_name
_audit_author_address
'Di Sun'
;Shandong university
China
;
_audit_update_record             
;
2021-08-10 deposited with the CCDC.	2021-11-02 downloaded from the CCDC.
;
_audit_creation_date             2021-08-10
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        gql3
_chemical_formula_moiety         'C140 H132 Cu28 F24 O16 P8 S8'
_chemical_formula_sum            'C140 H132 Cu28 F24 O16 P8 S8'
_chemical_formula_weight         4809.81
_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'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   28.1238(7)
_cell_length_b                   22.3309(4)
_cell_length_c                   27.2663(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     17124.0(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    16775
_cell_measurement_temperature    173.00(2)
_cell_measurement_theta_max      75.3380
_cell_measurement_theta_min      3.0800
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.920
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.54588
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.866
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             9504
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0460
_diffrn_reflns_av_unetI/netI     0.0422
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            55110
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        67.079
_diffrn_reflns_theta_max         67.079
_diffrn_reflns_theta_min         3.143
_diffrn_ambient_temperature      173.00(2)
_diffrn_detector                 CCD
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            'Rigaku Saturn724+'
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     93.00 171.00   1.00    0.93    --  106.49  78.00  65.00   78
  2  ω    -22.00  27.00   1.00    0.20    --   48.45 -19.00 -90.00   49
  3  ω     47.00 105.00   1.00    0.93    --  106.49-109.00-143.00   58
  4  ω     34.00 105.00   1.00    0.93    --  106.49 -77.00-120.00   71
  5  ω     34.00  62.00   1.00    0.93    --  106.49 -57.00  90.00   28
  6  ω    -27.00  16.00   1.00    0.20    --  -48.45  19.00 -30.00   43
  7  ω    -76.00 -37.00   1.00    0.93    --  -86.25 109.00 -47.00   39
  8  ω    -51.00 -14.00   1.00    0.93    --  -86.25  47.00-129.00   37
  9  ω    -41.00 -15.00   1.00    0.93    --  -86.25  38.00  60.00   26
 10  ω   -138.00-112.00   1.00    0.93    --  -86.25 -47.00  81.00   26
 11  ω   -119.00 -75.00   1.00    0.20    --  -48.45-125.00 -60.00   44
;
_diffrn_measurement_device       'AFC12 (Right): Kappa 3 circle'
_diffrn_measurement_device_type  'Rigaku Saturn724+ (2x2 bin mode)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'Mitegen 50um'
_diffrn_radiation_collimation    0.3
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           24.0
_diffrn_source_power             1.2
_diffrn_source_target            Mo
_diffrn_source_type              'Rotating Anode'
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11546
_reflns_number_total             15132
_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       
;
CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)
;
_computing_data_collection       
;
CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)
;
_computing_data_reduction        
;
CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)
;
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         2.446
_refine_diff_density_min         -3.227
_refine_diff_density_rms         0.187
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1458
_refine_ls_number_reflns         15132
_refine_ls_number_restraints     1161
_refine_ls_R_factor_all          0.1145
_refine_ls_R_factor_gt           0.0960
_refine_ls_restrained_S_all      1.120
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1293P)²+218.0925P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2607
_refine_ls_wR_factor_ref         0.2786
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 F4A-F6A
 2.35 with sigma of 0.02
 C2-C1
 1.39 with sigma of 0.01
 F7A-C62
 1.4 with sigma of 0.02
 C44-C41
 1.34 with sigma of 0.01
 F8A-C62
 1.4 with sigma of 0.02
 C37-O3
 1.2 with sigma of 0.02
 F9A-C62
 1.4 with sigma of 0.02
 F9-C62
 1.4 with sigma of 0.02
 F7-C62
 1.4 with sigma of 0.02
 C20-C21
 1.39 with sigma of 0.01
 F7A-F8
 2.35 with sigma of 0.01
 F9A-F7A
 2.35 with sigma of 0.01
 C37A-O3
 1.2 with sigma of 0.02
 F8A-F9
 2.35 with sigma of 0.01
 C37A-O1A
 1.2 with sigma of 0.02
 F7-F9
 2.35 with sigma of 0.01
 F7-F8A
 2.35 with sigma of 0.01
 F5A-F4A
 2.35 with sigma of 0.02
 F8-F9A
 2.35 with sigma of 0.01
 O1-C37
 1.2 with sigma of 0.02
 F6A-F5A
 2.35 with sigma of 0.02
 F4A-C55
 1.4 with sigma of 0.01
 F6-C55
 1.4 with sigma of 0.01
 F4-C55
 1.4 with sigma of 0.01
 F6A-C55
 1.4 with sigma of 0.01
 F5A-C55
 1.4 with sigma of 0.01
 F5-C55
 1.4 with sigma of 0.01
 C26A-C27A
 1.39 with sigma of 0.01
 C30A-C29A
 1.39 with sigma of 0.01
 C29A-C28A
 1.39 with sigma of 0.01
 C27A-C28A
 1.39 with sigma of 0.01
 C25A-C26A
 1.39 with sigma of 0.01
 C30A-C25A
 1.39 with sigma of 0.01
 C7A-C12A
 1.39 with sigma of 0.01
 C12A-C11A
 1.39 with sigma of 0.01
 F11A-C70
 1.4 with sigma of 0.02
 F12A-C70
 1.4 with sigma of 0.02
 F12-C70
 1.4 with sigma of 0.02
 C70-F11
 1.4 with sigma of 0.02
 F10-C70
 1.4 with sigma of 0.02
 F10A-C70
 1.4 with sigma of 0.02
 C32A-C34
 1.39 with sigma of 0.01
 C32A-C31A
 1.39 with sigma of 0.01
 F1-F3
 2.35 with sigma of 0.01
 F1-F2
 2.35 with sigma of 0.01
 F3-F2
 2.35 with sigma of 0.01
 F3-C53
 1.4 with sigma of 0.01
 F3A-C53
 1.4 with sigma of 0.01
 F3B-C53
 1.4 with sigma of 0.01
 F2A-C53
 1.4 with sigma of 0.01
 F2B-C53
 1.4 with sigma of 0.01
 F1A-C53
 1.4 with sigma of 0.01
 F1-C53
 1.4 with sigma of 0.01
 HB-Cu6
 2 with sigma of 0.01
 H-Cu9
 2 with sigma of 0.01
 HA-Cu1A
 2 with sigma of 0.01
 HA-Cu3 = HA-Cu6 = HA-Cu1A
 2 with sigma of 0.01
 HA-Cu1
 2 with sigma of 0.01
 HA-Cu4
 2 with sigma of 0.01
 C33-C32
 1.39 with sigma of 0.01
 C31-C36
 1.39 with sigma of 0.01
 C35-C34
 1.39 with sigma of 0.01
 C36-C35
 1.39 with sigma of 0.01
 C34-C33
 1.39 with sigma of 0.01
 C32-C31
 1.39 with sigma of 0.01
 C9A-C10A
 1.39 with sigma of 0.01
 C8A-C7A
 1.39 with sigma of 0.01
 C10A-C11A
 1.39 with sigma of 0.01
 C8A-C9A
 1.39 with sigma of 0.01
 C33A-C31
 1.39 with sigma of 0.01
 C18-C34
 1.39 with sigma of 0.01
 C31-C31A
 1.39 with sigma of 0.01
 C33A-C18
 1.39 with sigma of 0.01
 C13-C18A
 1.39 with sigma of 0.01
 C14A-C13
 1.39 with sigma of 0.01
 C15A-C14A
 1.39 with sigma of 0.01
 C16A-C17A
 1.39 with sigma of 0.01
 C16A-C15A
 1.39 with sigma of 0.01
 C18A-C17A
 1.39 with sigma of 0.01
 C41-C49
 1.34 with sigma of 0.01
 C15-C14
 1.39 with sigma of 0.01
 C6-C1
 1.39 with sigma of 0.01
 C17-C16A
 1.39 with sigma of 0.01
 C3-C4
 1.39 with sigma of 0.01
 C16A-C15
 1.39 with sigma of 0.01
 C4-C5
 1.39 with sigma of 0.01
 C5-C6
 1.39 with sigma of 0.01
 C3-C2
 1.39 with sigma of 0.01
 C14-C13
 1.39 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
S1 \\sim S3 \\sim C41 \\sim C44 \\sim C49 \\sim C65: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008 within 2A
F7 \\sim F7A \\sim F8 \\sim F8A \\sim F9 \\sim F9A \\sim O6 \\sim O8 \\sim C43
\\sim C62: within 2A with sigma of 0.004 and sigma for terminal atoms of 0.008
within 2A
F4 \\sim F4A \\sim F5 \\sim F5A \\sim F6 \\sim F6A \\sim C55: within 2A with
sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
C13 \\sim C14 \\sim C14A \\sim C15 \\sim C15A \\sim C16 \\sim C16A \\sim C17
\\sim C18A: within 2A with sigma of 0.004 and sigma for terminal atoms of 0.008
within 2A
C19 \\sim C20 \\sim C20A \\sim C21 \\sim C21A \\sim C22 \\sim C23 \\sim C23A
\\sim C24 \\sim C24A: within 2A with sigma of 0.004 and sigma for terminal
atoms of 0.008 within 2A
C17A \\sim C18A: within 2A with sigma of 0.004 and sigma for terminal atoms of
0.008 within 2A
C25A \\sim C26A \\sim C27A \\sim C28A \\sim C29A \\sim C30A: within 2A with
sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
C18 \\sim C31 \\sim C31A \\sim C32 \\sim C33 \\sim C33A \\sim C34 \\sim C35
\\sim C36: within 2A with sigma of 0.004 and sigma for terminal atoms of 0.008
within 2A
C45 \\sim C46 \\sim C58 \\sim C63 \\sim C64 \\sim C68: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008 within 2A
C48 \\sim C56 \\sim C60 \\sim C61 \\sim C66 \\sim C69: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008 within 2A
C1A \\sim C2A \\sim C3A \\sim C4A \\sim C5A \\sim C6A: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008 within 2A
C7A \\sim C8A \\sim C9A \\sim C10A \\sim C11A \\sim C12A: within 2A with sigma
of 0.004 and sigma for terminal atoms of 0.008 within 2A
S2 \\sim S4 \\sim C51 \\sim C57 \\sim C59 \\sim C67: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008 within 2A
F10 \\sim F10A \\sim F11 \\sim F11A \\sim F12 \\sim F12A \\sim O1 \\sim O1A
\\sim O3 \\sim C37 \\sim C37A \\sim C70: within 2A with sigma of 0.004 and
sigma for terminal atoms of 0.008 within 2A
C7 \\sim C8 \\sim C9 \\sim C10 \\sim C11 \\sim C12: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008 within 2A
C18 \\sim C31 \\sim C31A \\sim C32A \\sim C33A \\sim C34: within 2A with sigma
of 0.004 and sigma for terminal atoms of 0.008 within 2A
F1 \\sim F1A \\sim F1B \\sim F2 \\sim F2A \\sim F2B \\sim F3 \\sim F3A \\sim
F3B \\sim C53: within 2A with sigma of 0.004 and sigma for terminal atoms of
0.008 within 2A
4. Others
 Fixed Sof: Cu1(0.7) Cu1A(0.3) Cu2(0.7) Cu2A(0.3) F1(0.33333) F1A(0.33333)
 F1B(0.33333) F2(0.33333) F2A(0.33333) F2B(0.33333) F3(0.33333) F3A(0.33333)
 F3B(0.33333) F4(0.5) F4A(0.5) F5(0.5) F5A(0.5) F6(0.5) F6A(0.5) F7(0.5)
 F7A(0.5) F8(0.5) F8A(0.5) F9(0.5) F9A(0.5) F10(0.5) F10A(0.5) F11(0.5)
 F11A(0.5) F12(0.5) F12A(0.5) O1(0.8) O1A(0.2) C1(0.75) C1A(0.25) C2A(0.25)
 H2A(0.25) C3A(0.25) H3A(0.25) C4A(0.25) H4A(0.25) C5A(0.25) H5A(0.25)
 C6A(0.25) H6A(0.25) C2(0.75) H2(0.75) C3(0.75) H3(0.75) C4(0.75) H4(0.75)
 C5(0.75) H5(0.75) C6(0.75) H6(0.75) C7(0.66667) C7A(0.33333) C8(0.66667)
 H8(0.66667) C8A(0.33333) H8A(0.33333) C9(0.66667) H9(0.66667) C9A(0.33333)
 H9A(0.33333) C10(0.66667) H10(0.66667) C10A(0.33333) H10A(0.33333)
 C11(0.66667) H11(0.66667) C11A(0.33333) H11A(0.33333) C12(0.66667)
 H12(0.66667) C12A(0.33333) H12A(0.33333) C14(0.65) H14(0.65) C14A(0.35)
 H14A(0.35) C15(0.65) H15(0.65) C15A(0.35) H15A(0.35) C16(0.65) H16(0.65)
 H16A(0.65) H16B(0.35) C17(0.65) H17(0.65) C17A(0.35) H17A(0.35) C18(0.35)
 H18(0.35) C18A(0.35) H18A(0.35) C20(0.5) H20(0.5) C21(0.5) H21(0.5) C21A(0.5)
 H21A(0.5) H22(0.5) H22A(0.5) C23A(0.5) H23A(0.5) C24A(0.5) H24A(0.5) C20A(0.5)
 H20A(0.5) C23(0.5) H23(0.5) C24(0.5) H24(0.5) C25(0.75) C25A(0.25) C26(0.75)
 H26(0.75) C26A(0.25) H26A(0.25) C27(0.75) H27(0.75) C27A(0.25) H27A(0.25)
 C28(0.75) H28(0.75) C28A(0.25) H28A(0.25) C29(0.75) H29(0.75) C29A(0.25)
 H29A(0.25) C30(0.75) H30(0.75) C30A(0.25) H30A(0.25) C31A(0.35) H31A(0.35)
 C32(0.65) H32(0.65) C32A(0.35) H32A(0.35) C33(0.65) H33(0.65) C33A(0.35)
 H33A(0.35) H34A(0.35) H34(0.65) C35(0.65) H35(0.65) C36(0.65) H36(0.65)
 C37(0.8) C37A(0.2)
5.a Secondary CH2 refined with riding coordinates:
 C40(H40A,H40B), C42(H42A,H42B), C47(H47A,H47B), C50(H50A,H50B), C52(H52A,
 H52B), C54(H54A,H54B)
5.b Aromatic/amide H refined with riding coordinates:
 C2A(H2A), C3A(H3A), C4A(H4A), C5A(H5A), C6A(H6A), C2(H2), C3(H3), C4(H4),
 C5(H5), C6(H6), C8(H8), C8A(H8A), C9(H9), C9A(H9A), C10(H10), C10A(H10A),
 C11(H11), C11A(H11A), C12(H12), C12A(H12A), C14(H14), C14A(H14A), C15(H15),
 C15A(H15A), C16(H16), C16A(H16A), C16A(H16B), C17(H17), C17A(H17A), C18(H18),
 C18A(H18A), C20(H20), C21(H21), C21A(H21A), C22(H22), C22(H22A), C23A(H23A),
 C24A(H24A), C20A(H20A), C23(H23), C24(H24), C26(H26), C26A(H26A), C27(H27),
 C27A(H27A), C28(H28), C28A(H28A), C29(H29), C29A(H29A), C30(H30), C30A(H30A),
 C31A(H31A), C32(H32), C32A(H32A), C33(H33), C33A(H33A), C34(H34A), C34(H34),
 C35(H35), C36(H36), C41(H41), C45(H45), C49(H49), C56(H56), C57(H57), C58(H58),
  C59(H59), C60(H60), C61(H61), C63(H63), C64(H64), C65(H65), C66(H66),
 C67(H67), C68(H68), C69(H69)
5.c Fitted hexagon refined as free rotating group:
 C1A(C2A,C3A,C4A,C5A,C6A), C21A(C22,C23A,C24A,C19,C20A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.64326(10) 0.51771(11) 0.57565(9) 0.0363(6) Uani 0.7 1 d D . P A 2
H H 0.4179(13) 0.466(5) 0.401(5) 0.08(4) Uiso 1 1 d D . . . .
HA H 0.6267(4) 0.4365(3) 0.5770(4) 0.25(13) Uiso 1 1 d D . . . .
Cu1A Cu 0.6625(2) 0.5082(3) 0.5661(3) 0.058(2) Uani 0.3 1 d D . P A 1
Cu2 Cu 0.66059(11) 0.50079(14) 0.43320(11) 0.0436(7) Uani 0.7 1 d . . P A 2
HB H 0.620(3) 0.431(4) 0.4324(9) 0.05(3) Uiso 1 1 d D . . . .
Cu2A Cu 0.6430(2) 0.5140(3) 0.4229(3) 0.0361(14) Uani 0.3 1 d . . P A 1
HC H 0.574(4) 0.529(5) 0.403(4) 0.06(3) Uiso 1 1 d . . . . .
Cu3 Cu 0.59563(5) 0.37096(6) 0.57905(5) 0.0410(3) Uani 1 1 d D . . . .
Cu4 Cu 0.56275(4) 0.47299(5) 0.55894(4) 0.0330(3) Uani 1 1 d D . . . .
HD H 0.459(3) 0.519(4) 0.498(2) 0.02(2) Uiso 1 1 d . . . . .
HE H 0.522(3) 0.420(4) 0.594(3) 0.03(2) Uiso 1 1 d . . . . .
Cu5 Cu 0.59741(5) 0.36520(6) 0.43002(5) 0.0426(4) Uani 1 1 d . . . . .
HF H 0.538(3) 0.409(4) 0.417(3) 0.02(2) Uiso 1 1 d . . . . .
Cu6 Cu 0.63479(5) 0.42939(7) 0.50398(5) 0.0461(4) Uani 1 1 d D . . . .
Cu7 Cu 0.58461(5) 0.59051(6) 0.44916(5) 0.0362(3) Uani 1 1 d . . . . .
Cu8 Cu 0.51557(4) 0.54920(5) 0.49860(4) 0.0309(3) Uani 1 1 d . . . . .
HG H 0.530(3) 0.616(3) 0.497(2) 0.013(18) Uiso 1 1 d . . . . .
Cu9 Cu 0.48610(4) 0.44107(5) 0.39699(4) 0.0336(3) Uani 1 1 d D . . . .
Cu10 Cu 0.51683(5) 0.55360(5) 0.39483(4) 0.0343(3) Uani 1 1 d . . . . .
Cu11 Cu 0.56535(4) 0.46992(5) 0.44292(4) 0.0325(3) Uani 1 1 d . . . . .
Cu12 Cu 0.49170(4) 0.63941(5) 0.44906(5) 0.0339(3) Uani 1 1 d . . . . .
Cu13 Cu 0.58222(5) 0.59492(6) 0.54713(5) 0.0373(3) Uani 1 1 d . . . . .
Cu14 Cu 0.49080(4) 0.64268(5) 0.54481(5) 0.0333(3) Uani 1 1 d . . . . .
S1 S 0.64991(7) 0.56509(10) 0.49957(8) 0.0342(5) Uani 1 1 d . U . . .
S2 S 0.63119(16) 0.21397(18) 0.5257(2) 0.1033(12) Uani 1 1 d . U . . .
S3 S 0.69495(19) 0.6852(2) 0.5169(3) 0.1241(14) Uani 1 1 d . U . . .
S4 S 0.57498(8) 0.32448(9) 0.50563(8) 0.0382(5) Uani 1 1 d . U . . .
P1 P 0.68468(9) 0.52329(12) 0.64627(9) 0.0444(6) Uani 1 1 d . . . . .
P2 P 0.68783(10) 0.51086(12) 0.35406(10) 0.0483(6) Uani 1 1 d . . . . .
P3 P 0.61860(10) 0.31699(12) 0.36264(11) 0.0523(7) Uani 1 1 d . . . . .
P4 P 0.61537(9) 0.32800(11) 0.65003(10) 0.0452(6) Uani 1 1 d . . . . .
F1 F 0.5341(7) 0.4507(8) 0.2331(7) 0.068(3) Uani 0.3333 1 d D U P B 1
F1A F 0.5423(6) 0.4780(11) 0.2248(7) 0.070(3) Uani 0.3333 1 d D U P B 2
F1B F 0.5390(9) 0.5286(11) 0.2286(7) 0.070(3) Uani 0.3333 1 d . U P B 3
F2 F 0.4547(5) 0.4804(10) 0.2289(7) 0.073(3) Uani 0.3333 1 d D U P B 1
F2A F 0.4679(8) 0.4531(9) 0.2306(7) 0.069(3) Uani 0.3333 1 d D U P B 2
F2B F 0.5062(11) 0.4402(6) 0.2262(7) 0.072(3) Uani 0.3333 1 d D U P B 3
F3 F 0.5156(8) 0.5517(6) 0.2279(7) 0.071(3) Uani 0.3333 1 d D U P B 1
F3A F 0.4782(10) 0.5461(8) 0.2295(7) 0.070(3) Uani 0.3333 1 d D U P B 2
F3B F 0.4617(7) 0.5226(12) 0.2271(7) 0.071(3) Uani 0.3333 1 d D U P B 3
F4 F 0.6207(6) 0.7841(8) 0.3793(6) 0.095(3) Uani 0.5 1 d D U P C 1
F4A F 0.5974(6) 0.7859(8) 0.3679(4) 0.097(3) Uani 0.5 1 d D U P C 2
F5 F 0.5583(6) 0.8213(7) 0.4078(8) 0.092(3) Uani 0.5 1 d D U P C 1
F5A F 0.5588(5) 0.8210(7) 0.4355(7) 0.090(3) Uani 0.5 1 d D U P C 2
F6 F 0.6191(6) 0.7909(9) 0.4574(6) 0.092(3) Uani 0.5 1 d D U P C 1
F6A F 0.6343(4) 0.7835(9) 0.4419(6) 0.093(3) Uani 0.5 1 d D U P C 2
F7 F 0.6345(4) 0.7838(7) 0.5919(7) 0.088(3) Uani 0.5 1 d D U P D 1
F7A F 0.6239(6) 0.7914(7) 0.5574(5) 0.090(3) Uani 0.5 1 d D U P D 2
F8 F 0.5641(7) 0.8221(8) 0.5689(7) 0.084(3) Uani 0.5 1 d . U P D 1
F8A F 0.5569(6) 0.8230(7) 0.5951(7) 0.085(3) Uani 0.5 1 d D U P D 2
F9 F 0.5700(6) 0.7854(7) 0.6450(5) 0.093(3) Uani 0.5 1 d D U P D 1
F9A F 0.6078(6) 0.7760(7) 0.6398(5) 0.093(3) Uani 0.5 1 d D U P D 2
F10 F 0.8080(7) 0.4615(9) 0.5111(10) 0.129(4) Uani 0.5 1 d D U P E 1
F10A F 0.8057(8) 0.4185(11) 0.5497(9) 0.134(4) Uani 0.5 1 d D U P E 2
F11 F 0.7935(8) 0.3839(12) 0.5518(8) 0.131(4) Uani 0.5 1 d D U P E 1
F11A F 0.8143(7) 0.4219(12) 0.4716(9) 0.128(4) Uani 0.5 1 d D U P E 2
F12 F 0.8045(7) 0.3860(11) 0.4653(8) 0.125(4) Uani 0.5 1 d D U P E 1
F12A F 0.7874(7) 0.3443(8) 0.5094(9) 0.123(4) Uani 0.5 1 d D U P E 2
O1 O 0.7280(4) 0.4585(6) 0.4597(6) 0.113(3) Uani 0.8 1 d D U P A 2
O1A O 0.7261(18) 0.463(3) 0.555(3) 0.114(3) Uani 0.2 1 d D U P A 1
O2 O 0.4936(3) 0.4469(3) 0.3234(2) 0.0497(17) Uani 1 1 d . . . . .
O3 O 0.7028(4) 0.3996(5) 0.5121(5) 0.114(3) Uani 1 1 d D U . . .
O4 O 0.5998(2) 0.6744(3) 0.4256(3) 0.0463(16) Uani 1 1 d . . . . .
O5 O 0.5086(3) 0.5457(3) 0.3214(2) 0.0494(17) Uani 1 1 d . . . . .
O6 O 0.5234(2) 0.7147(3) 0.5730(3) 0.0494(14) Uani 1 1 d . U . . .
O7 O 0.5260(2) 0.7120(3) 0.4260(3) 0.0462(16) Uani 1 1 d . . . . .
O8 O 0.5973(2) 0.6759(3) 0.5756(3) 0.0504(15) Uani 1 1 d . U . . .
C1 C 0.5857(5) 0.2459(6) 0.3548(4) 0.053(4) Uani 0.75 1 d D . P F 1
C1A C 0.5744(13) 0.2651(15) 0.3354(17) 0.084(7) Uani 0.25 1 d G U P F 2
C2A C 0.5288(14) 0.2811(12) 0.3209(16) 0.083(7) Uani 0.25 1 d G U P F 2
H2A H 0.520118 0.322167 0.318984 0.100 Uiso 0.25 1 calc R U P F 2
C3A C 0.4957(11) 0.2370(16) 0.3094(16) 0.084(7) Uani 0.25 1 d G U P F 2
H3A H 0.464511 0.247919 0.299547 0.100 Uiso 0.25 1 calc R U P F 2
C4A C 0.5084(13) 0.1769(14) 0.3123(18) 0.084(7) Uani 0.25 1 d G U P F 2
H4A H 0.485805 0.146794 0.304378 0.101 Uiso 0.25 1 calc R U P F 2
C5A C 0.5541(14) 0.1610(13) 0.3267(18) 0.084(7) Uani 0.25 1 d G U P F 2
H5A H 0.562705 0.119915 0.328646 0.101 Uiso 0.25 1 calc R U P F 2
C6A C 0.5871(11) 0.2051(17) 0.3382(17) 0.084(7) Uani 0.25 1 d G U P F 2
H6A H 0.618313 0.194162 0.348084 0.101 Uiso 0.25 1 calc R U P F 2
C2 C 0.5556(6) 0.2373(7) 0.3155(5) 0.073(5) Uani 0.75 1 d D . P F 1
H2 H 0.551903 0.267707 0.291374 0.087 Uiso 0.75 1 calc R U P F 1
C3 C 0.5306(8) 0.1839(8) 0.3114(7) 0.094(7) Uani 0.75 1 d D . P F 1
H3 H 0.509945 0.177861 0.284306 0.113 Uiso 0.75 1 calc R U P F 1
C4 C 0.5355(7) 0.1393(8) 0.3462(5) 0.091(7) Uani 0.75 1 d D . P F 1
H4 H 0.518474 0.102690 0.343205 0.110 Uiso 0.75 1 calc R U P F 1
C5 C 0.5656(7) 0.1491(7) 0.3855(6) 0.090(6) Uani 0.75 1 d D . P F 1
H5 H 0.568806 0.118961 0.409844 0.108 Uiso 0.75 1 calc R U P F 1
C6 C 0.5913(7) 0.2018(6) 0.3902(6) 0.079(6) Uani 0.75 1 d D . P F 1
H6 H 0.612309 0.207639 0.417129 0.095 Uiso 0.75 1 calc R U P F 1
C7 C 0.6811(10) 0.2895(14) 0.3642(8) 0.057(3) Uani 0.6667 1 d . U P F 1
C7A C 0.676(2) 0.292(3) 0.3528(17) 0.080(7) Uani 0.3333 1 d D U P F 2
C8 C 0.6967(7) 0.2472(8) 0.3286(8) 0.060(3) Uani 0.6667 1 d . U P F 1
H8 H 0.675356 0.230185 0.305452 0.072 Uiso 0.6667 1 calc R U P F 1
C8A C 0.6895(13) 0.2647(18) 0.3091(19) 0.080(7) Uani 0.3333 1 d D U P F 2
H8A H 0.669600 0.267907 0.281148 0.096 Uiso 0.3333 1 calc R U P F 2
C9 C 0.7455(8) 0.2316(9) 0.3294(8) 0.062(3) Uani 0.6667 1 d . U P F 1
H9 H 0.757651 0.205248 0.305134 0.075 Uiso 0.6667 1 calc R U P F 1
C9A C 0.7318(12) 0.2330(19) 0.3054(19) 0.081(7) Uani 0.3333 1 d D U P F 2
H9A H 0.738184 0.208269 0.277832 0.097 Uiso 0.3333 1 calc R U P F 2
C10 C 0.7744(7) 0.2532(9) 0.3633(8) 0.063(3) Uani 0.6667 1 d . U P F 1
H10 H 0.806560 0.240221 0.364121 0.076 Uiso 0.6667 1 calc R U P F 1
C10A C 0.7646(16) 0.238(2) 0.3433(16) 0.080(7) Uani 0.3333 1 d D U P F 2
H10A H 0.794732 0.219358 0.340791 0.096 Uiso 0.3333 1 calc R U P F 2
C11 C 0.7590(7) 0.2933(8) 0.3968(8) 0.063(3) Uani 0.6667 1 d . U P F 1
H11 H 0.780585 0.308859 0.420420 0.076 Uiso 0.6667 1 calc R U P F 1
C11A C 0.7533(14) 0.2716(19) 0.3847(18) 0.080(7) Uani 0.3333 1 d D U P F 2
H11A H 0.777033 0.279384 0.408605 0.096 Uiso 0.3333 1 calc R U P F 2
C12 C 0.7119(7) 0.3120(8) 0.3972(8) 0.060(3) Uani 0.6667 1 d . U P F 1
H12 H 0.701504 0.340630 0.420564 0.072 Uiso 0.6667 1 calc R U P F 1
C12A C 0.7075(14) 0.2936(19) 0.391(2) 0.080(7) Uani 0.3333 1 d D U P F 2
H12A H 0.698238 0.309616 0.422308 0.096 Uiso 0.3333 1 calc R U P F 2
C13 C 0.6685(5) 0.5677(6) 0.3121(4) 0.074(2) Uani 1 1 d D U . . .
C14 C 0.6716(9) 0.5627(8) 0.2615(5) 0.078(2) Uani 0.65 1 d D U P G 1
H14 H 0.678989 0.524950 0.247265 0.093 Uiso 0.65 1 calc R U P G 1
C14A C 0.6252(9) 0.5971(16) 0.3120(13) 0.077(2) Uani 0.35 1 d D U P G 2
H14A H 0.607906 0.592214 0.341671 0.092 Uiso 0.35 1 calc R U P G 2
C15 C 0.6641(8) 0.6118(7) 0.2312(7) 0.079(2) Uani 0.65 1 d D U P G 1
H15 H 0.677544 0.613466 0.199289 0.095 Uiso 0.65 1 calc R U P G 1
C15A C 0.6016(9) 0.6323(14) 0.2778(11) 0.078(2) Uani 0.35 1 d D U P G 2
H15A H 0.568196 0.637605 0.274853 0.094 Uiso 0.35 1 calc R U P G 2
C16 C 0.6449(9) 0.6170(9) 0.3318(8) 0.076(2) Uani 0.65 1 d . U P G 1
H16 H 0.640364 0.620809 0.366204 0.091 Uiso 0.65 1 calc R U P G 1
C16A C 0.6364(5) 0.6583(6) 0.2487(5) 0.081(2) Uani 1 1 d D U . . .
H16A H 0.623553 0.687458 0.227156 0.097 Uiso 0.65 1 calc R U P G 1
H16B H 0.628721 0.694732 0.232662 0.097 Uiso 0.35 1 calc R U P G 2
C17 C 0.6279(9) 0.6610(9) 0.2993(5) 0.078(2) Uani 0.65 1 d D U P G 1
H17 H 0.610094 0.693638 0.312057 0.093 Uiso 0.65 1 calc R U P G 1
C17A C 0.6818(8) 0.6350(15) 0.2413(13) 0.077(3) Uani 0.35 1 d D U P G 2
H17A H 0.702175 0.649706 0.216278 0.092 Uiso 0.35 1 calc R U P G 2
C18 C 0.6240(14) 0.6676(15) 0.7087(6) 0.068(2) Uani 0.35 1 d D U P H 2
H18 H 0.606431 0.701330 0.697572 0.081 Uiso 0.35 1 calc R U P H 2
C18A C 0.6955(12) 0.5890(15) 0.2727(10) 0.077(2) Uani 0.35 1 d D U P G 2
H18A H 0.725463 0.570642 0.266965 0.092 Uiso 0.35 1 calc R U P G 2
C20 C 0.7764(9) 0.5629(17) 0.3276(14) 0.101(3) Uani 0.5 1 d D U P I 1
H20 H 0.759465 0.593323 0.310509 0.121 Uiso 0.5 1 calc R U P I 1
C21 C 0.8258(9) 0.5623(18) 0.3282(14) 0.102(3) Uani 0.5 1 d D U P I 1
H21 H 0.840922 0.592225 0.308898 0.123 Uiso 0.5 1 calc R U P I 1
C21A C 0.8302(5) 0.4737(6) 0.3459(8) 0.103(3) Uani 0.5 1 d G U P I 2
H21A H 0.849564 0.439029 0.342714 0.123 Uiso 0.5 1 calc R U P I 2
C22 C 0.8511(4) 0.5300(8) 0.3492(6) 0.104(3) Uani 1 1 d G U . . .
H22 H 0.884313 0.537397 0.350742 0.125 Uiso 0.5 1 calc R U P I 1
H22A H 0.884719 0.533771 0.348157 0.125 Uiso 0.5 1 calc R U P I 2
C23A C 0.8228(5) 0.5806(6) 0.3539(8) 0.103(3) Uani 0.5 1 d G U P I 2
H23A H 0.837041 0.619101 0.356088 0.123 Uiso 0.5 1 calc R U P I 2
C24A C 0.7736(5) 0.5750(6) 0.3554(8) 0.102(3) Uani 0.5 1 d G U P I 2
H24A H 0.754209 0.609689 0.358576 0.122 Uiso 0.5 1 calc R U P I 2
C19 C 0.7527(4) 0.5188(8) 0.3521(6) 0.099(3) Uani 1 1 d G U . . .
C20A C 0.7810(5) 0.4681(6) 0.3474(8) 0.102(3) Uani 0.5 1 d G U P I 2
H20A H 0.766731 0.429617 0.345201 0.122 Uiso 0.5 1 calc R U P I 2
C23 C 0.8284(12) 0.4728(18) 0.3752(14) 0.103(3) Uani 0.5 1 d . U P I 1
H23 H 0.847661 0.443131 0.390258 0.123 Uiso 0.5 1 calc R U P I 1
C24 C 0.7780(11) 0.4683(18) 0.3748(14) 0.102(3) Uani 0.5 1 d . U P I 1
H24 H 0.761788 0.434907 0.388374 0.122 Uiso 0.5 1 calc R U P I 1
C25 C 0.7473(5) 0.5385(7) 0.6412(6) 0.043(4) Uani 0.75 1 d . . P A 1
C25A C 0.755(4) 0.521(4) 0.646(4) 0.112(11) Uani 0.25 1 d D U P A 2
C26 C 0.7815(6) 0.4958(11) 0.6502(9) 0.087(7) Uani 0.75 1 d . . P A 1
H26 H 0.773235 0.455553 0.657569 0.104 Uiso 0.75 1 calc R U P A 1
C26A C 0.779(2) 0.476(4) 0.621(3) 0.112(11) Uani 0.25 1 d D U P A 2
H26A H 0.762223 0.447090 0.601845 0.134 Uiso 0.25 1 calc R U P A 2
C27 C 0.8293(9) 0.5147(15) 0.6481(14) 0.136(14) Uani 0.75 1 d . . P A 1
H27 H 0.853487 0.487756 0.658344 0.163 Uiso 0.75 1 calc R U P A 1
C27A C 0.828(2) 0.475(3) 0.626(4) 0.112(11) Uani 0.25 1 d D U P A 2
H27A H 0.846198 0.441531 0.616838 0.134 Uiso 0.25 1 calc R U P A 2
C28 C 0.8415(7) 0.5675(12) 0.6326(9) 0.092(7) Uani 0.75 1 d . . P A 1
H28 H 0.874253 0.577729 0.630475 0.110 Uiso 0.75 1 calc R U P A 1
C28A C 0.849(3) 0.526(3) 0.646(4) 0.112(11) Uani 0.25 1 d D U P A 2
H28A H 0.882367 0.527803 0.648520 0.134 Uiso 0.25 1 calc R U P A 2
C29 C 0.8078(8) 0.6085(10) 0.6193(10) 0.105(8) Uani 0.75 1 d . . P A 1
H29 H 0.816895 0.646887 0.607667 0.126 Uiso 0.75 1 calc R U P A 1
C29A C 0.822(2) 0.575(3) 0.663(3) 0.112(11) Uani 0.25 1 d D U P A 2
H29A H 0.838422 0.611100 0.670708 0.134 Uiso 0.25 1 calc R U P A 2
C30 C 0.7615(6) 0.5937(9) 0.6229(8) 0.082(6) Uani 0.75 1 d . . P A 1
H30 H 0.738077 0.621670 0.612709 0.098 Uiso 0.75 1 calc R U P A 1
C30A C 0.773(2) 0.572(3) 0.669(3) 0.112(11) Uani 0.25 1 d D U P A 2
H30A H 0.755043 0.600205 0.686624 0.134 Uiso 0.25 1 calc R U P A 2
C31 C 0.6660(4) 0.5795(5) 0.6904(4) 0.064(2) Uani 1 1 d D U . . .
C31A C 0.6799(14) 0.5781(15) 0.7394(6) 0.067(2) Uani 0.35 1 d D U P H 2
H31A H 0.697321 0.544490 0.750906 0.080 Uiso 0.35 1 calc R U P H 2
C32 C 0.6948(6) 0.5965(8) 0.7295(5) 0.066(2) Uani 0.65 1 d D U P H 1
H32 H 0.724910 0.577938 0.733792 0.079 Uiso 0.65 1 calc R U P H 1
C32A C 0.6694(11) 0.6239(13) 0.7723(12) 0.069(3) Uani 0.35 1 d D U P H 2
H32A H 0.684943 0.626594 0.803124 0.083 Uiso 0.35 1 calc R U P H 2
C33 C 0.6799(5) 0.6402(8) 0.7622(7) 0.068(2) Uani 0.65 1 d D U P H 1
H33 H 0.700702 0.652967 0.787552 0.081 Uiso 0.65 1 calc R U P H 1
C33A C 0.6363(12) 0.6248(12) 0.6741(11) 0.067(2) Uani 0.35 1 d D U P H 2
H33A H 0.624992 0.626351 0.641313 0.080 Uiso 0.35 1 calc R U P H 2
C34 C 0.6353(4) 0.6654(6) 0.7583(4) 0.070(2) Uani 1 1 d D U . . .
H34A H 0.620436 0.691052 0.781521 0.084 Uiso 0.35 1 calc R U P H 2
H34 H 0.625325 0.694990 0.781162 0.084 Uiso 0.65 1 calc R U P H 1
C35 C 0.6052(6) 0.6473(9) 0.7210(6) 0.069(2) Uani 0.65 1 d D U P H 1
H35 H 0.573426 0.661789 0.719346 0.083 Uiso 0.65 1 calc R U P H 1
C36 C 0.6222(5) 0.6077(8) 0.6861(7) 0.067(2) Uani 0.65 1 d D U P H 1
H36 H 0.603182 0.599564 0.658081 0.080 Uiso 0.65 1 calc R U P H 1
C37 C 0.7337(7) 0.4273(11) 0.4968(8) 0.115(3) Uani 0.8 1 d D U P A 2
C37A C 0.7361(19) 0.430(3) 0.522(3) 0.115(3) Uani 0.2 1 d D U P A 1
C38 C 0.5012(4) 0.4958(4) 0.3032(4) 0.046(2) Uani 1 1 d . . . . .
C39 C 0.5699(4) 0.7156(4) 0.4241(4) 0.045(2) Uani 1 1 d . . . . .
C40 C 0.6779(4) 0.4528(4) 0.6794(4) 0.043(2) Uani 1 1 d . . . . .
H40A H 0.688860 0.419243 0.658531 0.052 Uiso 1 1 calc R U . . .
H40B H 0.697754 0.453516 0.709375 0.052 Uiso 1 1 calc R U . . .
C41 C 0.7393(4) 0.6085(6) 0.4628(6) 0.089(2) Uani 1 1 d D U . . .
H41 H 0.745657 0.576909 0.440387 0.107 Uiso 1 1 calc R U . . .
C42 C 0.6767(4) 0.4404(4) 0.3218(4) 0.048(2) Uani 1 1 d . . . . .
H42A H 0.693659 0.441164 0.289986 0.058 Uiso 1 1 calc R U . . .
H42B H 0.689939 0.407005 0.341408 0.058 Uiso 1 1 calc R U . . .
C43 C 0.5675(4) 0.7163(5) 0.5794(5) 0.0568(15) Uani 1 1 d . U . . .
C44 C 0.6994(5) 0.6167(7) 0.4931(6) 0.0872(16) Uani 1 1 d D U . . .
C45 C 0.7056(4) 0.3038(6) 0.6174(5) 0.0653(19) Uani 1 1 d . U . . .
H45 H 0.696593 0.326351 0.589318 0.078 Uiso 1 1 calc R U . . .
C46 C 0.6734(4) 0.2938(6) 0.6534(5) 0.0648(19) Uani 1 1 d . U . . .
C47 C 0.6259(4) 0.4431(4) 0.6935(4) 0.051(2) Uani 1 1 d . . . . .
H47A H 0.605436 0.457741 0.666440 0.061 Uiso 1 1 calc R U . . .
H47B H 0.618655 0.467348 0.722927 0.061 Uiso 1 1 calc R U . . .
C48 C 0.5727(5) 0.2689(6) 0.6663(6) 0.073(2) Uani 1 1 d . U . . .
C49 C 0.7670(5) 0.6579(6) 0.4739(8) 0.105(2) Uani 1 1 d D U . . .
H49 H 0.798812 0.660719 0.462429 0.126 Uiso 1 1 calc R U . . .
C50 C 0.6250(4) 0.4291(5) 0.3128(4) 0.051(2) Uani 1 1 d . . . . .
H50A H 0.615390 0.450918 0.282790 0.061 Uiso 1 1 calc R U . . .
H50B H 0.606609 0.445810 0.340514 0.061 Uiso 1 1 calc R U . . .
C51 C 0.5778(5) 0.2459(6) 0.5103(6) 0.0736(15) Uani 1 1 d . U . . .
C52 C 0.6136(4) 0.3777(5) 0.7040(4) 0.057(3) Uani 1 1 d . . . . .
H52A H 0.581286 0.376038 0.718361 0.069 Uiso 1 1 calc R U . . .
H52B H 0.636069 0.362198 0.728853 0.069 Uiso 1 1 calc R U . . .
C53 C 0.5011(4) 0.4957(4) 0.2475(4) 0.070(2) Uani 1 1 d D U . . .
C54 C 0.6114(5) 0.3616(5) 0.3066(5) 0.067(3) Uani 1 1 d . . . . .
H54A H 0.631394 0.343936 0.280404 0.080 Uiso 1 1 calc R U . . .
H54B H 0.577856 0.358981 0.295739 0.080 Uiso 1 1 calc R U . . .
C55 C 0.5902(3) 0.7765(5) 0.4184(4) 0.090(3) Uani 1 1 d D U . . .
C56 C 0.5273(5) 0.2866(6) 0.6824(6) 0.075(2) Uani 1 1 d . U . . .
H56 H 0.520003 0.327960 0.685372 0.091 Uiso 1 1 calc R U . . .
C57 C 0.6073(6) 0.1431(7) 0.5191(7) 0.100(2) Uani 1 1 d . U . . .
H57 H 0.625217 0.107052 0.520639 0.120 Uiso 1 1 calc R U . . .
C58 C 0.7523(5) 0.2812(6) 0.6209(5) 0.072(2) Uani 1 1 d . U . . .
H58 H 0.775048 0.290077 0.596216 0.086 Uiso 1 1 calc R U . . .
C59 C 0.5411(5) 0.2024(6) 0.5065(5) 0.080(2) Uani 1 1 d . U . . .
H59 H 0.508348 0.210978 0.501436 0.096 Uiso 1 1 calc R U . . .
C60 C 0.5822(5) 0.2116(6) 0.6625(6) 0.079(2) Uani 1 1 d . U . . .
H60 H 0.613316 0.199306 0.653434 0.095 Uiso 1 1 calc R U . . .
C61 C 0.4929(5) 0.2437(6) 0.6939(6) 0.080(2) Uani 1 1 d . U . . .
H61 H 0.461969 0.255032 0.704577 0.096 Uiso 1 1 calc R U . . .
C62 C 0.5873(4) 0.7772(5) 0.5947(5) 0.0769(18) Uani 1 1 d D U . . .
C63 C 0.6870(5) 0.2598(6) 0.6944(5) 0.073(2) Uani 1 1 d . U . . .
H63 H 0.664870 0.252852 0.720096 0.088 Uiso 1 1 calc R U . . .
C64 C 0.7646(5) 0.2465(6) 0.6600(5) 0.076(2) Uani 1 1 d . U . . .
H64 H 0.795373 0.229122 0.661493 0.091 Uiso 1 1 calc R U . . .
C65 C 0.7477(7) 0.7021(9) 0.5015(7) 0.113(2) Uani 1 1 d . U . . .
H65 H 0.763539 0.738097 0.510295 0.136 Uiso 1 1 calc R U . . .
C66 C 0.5470(5) 0.1674(6) 0.6716(6) 0.083(2) Uani 1 1 d . U . . .
H66 H 0.553132 0.126373 0.665066 0.100 Uiso 1 1 calc R U . . .
C67 C 0.5605(6) 0.1455(6) 0.5115(6) 0.092(2) Uani 1 1 d . U . . .
H67 H 0.541585 0.110366 0.509542 0.110 Uiso 1 1 calc R U . . .
C68 C 0.7324(5) 0.2366(6) 0.6976(6) 0.078(2) Uani 1 1 d . U . . .
H68 H 0.741496 0.213782 0.725478 0.094 Uiso 1 1 calc R U . . .
C69 C 0.5055(5) 0.1847(6) 0.6893(6) 0.083(2) Uani 1 1 d . U . . .
H69 H 0.483405 0.154884 0.699252 0.100 Uiso 1 1 calc R U . . .
C70 C 0.7821(6) 0.4077(7) 0.5072(6) 0.121(3) Uani 1 1 d D U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 HA 1.872(7) . ?
Cu1 Cu4 2.516(3) . ?
Cu1 Cu6 2.787(3) . ?
Cu1 Cu13 2.554(3) . ?
Cu1 S1 2.336(3) . ?
Cu1 P1 2.254(4) . ?
Cu1A HA 1.915(6) . ?
Cu1A Cu4 2.920(6) . ?
Cu1A Cu6 2.563(9) . ?
Cu1A Cu13 3.019(8) . ?
Cu1A S1 2.242(8) . ?
Cu1A P1 2.298(9) . ?
Cu1A O1A 2.08(5) . ?
Cu2 HB 1.95(10) . ?
Cu2 Cu6 2.606(3) . ?
Cu2 Cu7 2.961(3) . ?
Cu2 Cu11 2.779(3) . ?
Cu2 S1 2.330(4) . ?
Cu2 P2 2.301(4) . ?
Cu2 O1 2.238(12) . ?
Cu2A HB 1.99(10) . ?
Cu2A HC 2.04(11) . ?
Cu2A Cu6 2.917(7) . ?
Cu2A Cu7 2.476(6) . ?
Cu2A Cu11 2.457(7) . ?
Cu2A S1 2.390(7) . ?
Cu2A P2 2.263(7) . ?
Cu3 HA 1.705(6) . ?
Cu3 Cu4 2.5193(17) . ?
Cu3 Cu6 2.666(2) . ?
Cu3 Cu12 2.5834(18) 5_666 ?
Cu3 S4 2.328(3) . ?
Cu3 P4 2.230(3) . ?
Cu4 HA 2.034(10) . ?
Cu4 HE 1.91(8) . ?
Cu4 Cu6 2.7018(19) . ?
Cu4 Cu8 2.7136(16) . ?
Cu4 Cu8 2.7492(17) 5_666 ?
Cu4 Cu9 2.6486(17) 5_666 ?
Cu4 Cu10 2.6363(18) 5_666 ?
Cu4 Cu12 2.9483(17) 5_666 ?
Cu4 Cu13 2.7959(17) . ?
Cu5 HB 1.59(10) . ?
Cu5 HF 1.97(8) . ?
Cu5 Cu6 2.688(2) . ?
Cu5 Cu11 2.5308(17) . ?
Cu5 Cu14 2.5801(18) 5_666 ?
Cu5 S4 2.340(3) . ?
Cu5 P3 2.211(3) . ?
Cu6 HA 2.010(10) . ?
Cu6 HB 1.997(10) . ?
Cu6 Cu11 2.7213(18) . ?
Cu6 O3 2.037(10) . ?
Cu7 HC 1.89(11) . ?
Cu7 Cu8 2.5374(17) . ?
Cu7 Cu10 2.5509(17) . ?
Cu7 Cu11 2.7521(17) . ?
Cu7 Cu12 2.8319(18) . ?
Cu7 Cu13 2.6740(19) . ?
Cu7 S1 2.363(2) . ?
Cu7 O4 2.026(7) . ?
Cu8 HD 1.72(8) . ?
Cu8 Cu8 2.367(2) 5_666 ?
Cu8 HG 1.54(8) . ?
Cu8 Cu9 2.8556(17) 5_666 ?
Cu8 Cu10 2.8315(17) . ?
Cu8 Cu11 2.8114(17) 5_666 ?
Cu8 Cu11 2.7203(16) . ?
Cu8 Cu12 2.5166(16) . ?
Cu8 Cu13 2.5112(17) . ?
Cu8 Cu14 2.5356(16) . ?
Cu9 H 1.999(11) . ?
Cu9 HF 1.71(8) . ?
Cu9 Cu10 2.6580(18) . ?
Cu9 Cu11 2.6363(17) . ?
Cu9 Cu13 2.5807(17) 5_666 ?
Cu9 Cu14 2.5373(17) 5_666 ?
Cu9 O2 2.023(7) . ?
Cu10 HC 1.72(11) . ?
Cu10 Cu11 2.6597(17) . ?
Cu10 Cu12 2.5214(17) . ?
Cu10 O5 2.024(7) . ?
Cu11 HB 1.78(10) . ?
Cu11 HC 1.74(11) . ?
Cu11 HF 1.72(8) . ?
Cu11 Cu14 2.9878(17) 5_666 ?
Cu12 HG 1.78(7) . ?
Cu12 Cu14 2.6118(18) . ?
Cu12 S4 2.386(3) 5_666 ?
Cu12 O7 1.990(6) . ?
Cu13 HG 2.05(7) . ?
Cu13 Cu14 2.7841(18) . ?
Cu13 S1 2.398(2) . ?
Cu13 O8 2.013(7) . ?
Cu14 HG 1.80(7) . ?
Cu14 S4 2.419(2) 5_666 ?
Cu14 O6 2.003(6) . ?
S1 C44 1.815(13) . ?
S2 C51 1.713(13) . ?
S2 C57 1.729(16) . ?
S3 C44 1.666(16) . ?
S3 C65 1.589(19) . ?
S4 C51 1.762(12) . ?
P1 C25 1.799(16) . ?
P1 C25A 1.97(10) . ?
P1 C31 1.817(11) . ?
P1 C40 1.825(9) . ?
P2 C13 1.792(12) . ?
P2 C19 1.833(11) . ?
P2 C42 1.828(10) . ?
P3 C1 1.850(13) . ?
P3 C1A 1.85(3) . ?
P3 C7 1.86(2) . ?
P3 C7A 1.72(5) . ?
P3 C54 1.836(14) . ?
P4 C46 1.803(12) . ?
P4 C48 1.838(13) . ?
P4 C52 1.844(12) . ?
F1 C53 1.422(9) . ?
F1A C53 1.370(10) . ?
F1B C53 1.39(3) . ?
F2 C53 1.441(18) . ?
F2A C53 1.411(10) . ?
F2B C53 1.376(10) . ?
F3 C53 1.419(9) . ?
F3A C53 1.387(10) . ?
F3B C53 1.377(10) . ?
F4 C55 1.378(10) . ?
F4A C55 1.407(9) . ?
F5 C55 1.373(10) . ?
F5A C55 1.406(9) . ?
F6 C55 1.376(10) . ?
F6A C55 1.405(9) . ?
F7 C62 1.337(13) . ?
F7A C62 1.481(14) . ?
F8 C62 1.39(2) . ?
F8A C62 1.334(15) . ?
F9 C62 1.467(14) . ?
F9A C62 1.359(14) . ?
F10 C70 1.410(17) . ?
F10A C70 1.357(18) . ?
F11 C70 1.366(17) . ?
F11A C70 1.363(18) . ?
F12 C70 1.391(18) . ?
F12A C70 1.424(17) . ?
O1 C37 1.238(16) . ?
O1A C37A 1.19(2) . ?
O2 C38 1.240(12) . ?
O3 C37 1.145(16) . ?
O3 C37A 1.19(2) . ?
O4 C39 1.245(12) . ?
O5 C38 1.237(11) . ?
O6 C43 1.254(13) . ?
O7 C39 1.238(12) . ?
O8 C43 1.236(13) . ?
C1 C2 1.381(9) . ?
C1 C6 1.388(9) . ?
C1A C2A 1.3900 . ?
C1A C6A 1.3900 . ?
C2A H2A 0.9500 . ?
C2A C3A 1.3900 . ?
C3A H3A 0.9500 . ?
C3A C4A 1.3900 . ?
C4A H4A 0.9500 . ?
C4A C5A 1.3900 . ?
C5A H5A 0.9500 . ?
C5A C6A 1.3900 . ?
C6A H6A 0.9500 . ?
C2 H2 0.9500 . ?
C2 C3 1.389(10) . ?
C3 H3 0.9500 . ?
C3 C4 1.382(10) . ?
C4 H4 0.9500 . ?
C4 C5 1.384(10) . ?
C5 H5 0.9500 . ?
C5 C6 1.388(10) . ?
C6 H6 0.9500 . ?
C7 C8 1.42(3) . ?
C7 C12 1.35(3) . ?
C7A C8A 1.392(10) . ?
C7A C12A 1.388(10) . ?
C8 H8 0.9500 . ?
C8 C9 1.42(3) . ?
C8A H8A 0.9500 . ?
C8A C9A 1.388(10) . ?
C9 H9 0.9500 . ?
C9 C10 1.32(3) . ?
C9A H9A 0.9500 . ?
C9A C10A 1.388(10) . ?
C10 H10 0.9500 . ?
C10 C11 1.35(3) . ?
C10A H10A 0.9500 . ?
C10A C11A 1.389(10) . ?
C11 H11 0.9500 . ?
C11 C12 1.39(2) . ?
C11A H11A 0.9500 . ?
C11A C12A 1.390(10) . ?
C12 H12 0.9500 . ?
C12A H12A 0.9500 . ?
C13 C14 1.387(10) . ?
C13 C14A 1.386(10) . ?
C13 C16 1.39(2) . ?
C13 C18A 1.398(10) . ?
C14 H14 0.9500 . ?
C14 C15 1.390(10) . ?
C14A H14A 0.9500 . ?
C14A C15A 1.389(10) . ?
C15 H15 0.9500 . ?
C15 C16A 1.381(10) . ?
C15A H15A 0.9500 . ?
C15A C16A 1.386(10) . ?
C16 H16 0.9500 . ?
C16 C17 1.41(3) . ?
C16A H16A 0.9500 . ?
C16A H16B 0.9500 . ?
C16A C17 1.401(10) . ?
C16A C17A 1.392(10) . ?
C17 H17 0.9500 . ?
C17A H17A 0.9500 . ?
C17A C18A 1.393(10) . ?
C18 H18 0.9500 . ?
C18 C33A 1.388(10) . ?
C18 C34 1.391(10) . ?
C18A H18A 0.9500 . ?
C20 H20 0.9500 . ?
C20 C21 1.391(10) . ?
C20 C19 1.37(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.16(4) . ?
C21A H21A 0.9500 . ?
C21A C22 1.3900 . ?
C21A C20A 1.3900 . ?
C22 H22 0.9500 . ?
C22 H22A 0.9500 . ?
C22 C23A 1.3900 . ?
C22 C23 1.59(4) . ?
C23A H23A 0.9500 . ?
C23A C24A 1.3900 . ?
C24A H24A 0.9500 . ?
C24A C19 1.3900 . ?
C19 C20A 1.3900 . ?
C19 C24 1.47(4) . ?
C20A H20A 0.9500 . ?
C23 H23 0.9500 . ?
C23 C24 1.42(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.38(2) . ?
C25 C30 1.39(2) . ?
C25A C26A 1.391(11) . ?
C25A C30A 1.391(11) . ?
C26 H26 0.9500 . ?
C26 C27 1.41(3) . ?
C26A H26A 0.9500 . ?
C26A C27A 1.391(11) . ?
C27 H27 0.9500 . ?
C27 C28 1.30(4) . ?
C27A H27A 0.9500 . ?
C27A C28A 1.391(11) . ?
C28 H28 0.9500 . ?
C28 C29 1.37(3) . ?
C28A H28A 0.9500 . ?
C28A C29A 1.391(11) . ?
C29 H29 0.9500 . ?
C29 C30 1.35(3) . ?
C29A H29A 0.9500 . ?
C29A C30A 1.389(10) . ?
C30 H30 0.9500 . ?
C30A H30A 0.9500 . ?
C31 C31A 1.393(10) . ?
C31 C32 1.391(10) . ?
C31 C33A 1.384(10) . ?
C31 C36 1.388(10) . ?
C31A H31A 0.9500 . ?
C31A C32A 1.391(10) . ?
C32 H32 0.9500 . ?
C32 C33 1.388(10) . ?
C32A H32A 0.9500 . ?
C32A C34 1.386(10) . ?
C33 H33 0.9500 . ?
C33 C34 1.378(10) . ?
C33A H33A 0.9500 . ?
C34 H34A 0.9500 . ?
C34 H34 0.9500 . ?
C34 C35 1.386(10) . ?
C35 H35 0.9500 . ?
C35 C36 1.384(10) . ?
C36 H36 0.9500 . ?
C37 C70 1.46(2) . ?
C37A C70 1.44(7) . ?
C38 C53 1.521(14) . ?
C39 C55 1.484(14) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C40 C47 1.527(14) . ?
C41 H41 0.9500 . ?
C41 C44 1.405(9) . ?
C41 C49 1.385(9) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C42 C50 1.497(15) . ?
C43 C62 1.527(15) . ?
C45 H45 0.9500 . ?
C45 C46 1.355(18) . ?
C45 C58 1.411(17) . ?
C46 C63 1.405(16) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C47 C52 1.528(14) . ?
C48 C56 1.407(19) . ?
C48 C60 1.312(18) . ?
C49 H49 0.9500 . ?
C49 C65 1.35(2) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C50 C54 1.565(15) . ?
C51 C59 1.42(2) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C56 H56 0.9500 . ?
C56 C61 1.398(18) . ?
C57 H57 0.9500 . ?
C57 C67 1.33(2) . ?
C58 H58 0.9500 . ?
C58 C64 1.361(18) . ?
C59 H59 0.9500 . ?
C59 C67 1.391(18) . ?
C60 H60 0.9500 . ?
C60 C66 1.418(18) . ?
C61 H61 0.9500 . ?
C61 C69 1.371(19) . ?
C63 H63 0.9500 . ?
C63 C68 1.381(18) . ?
C64 H64 0.9500 . ?
C64 C68 1.39(2) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C66 C69 1.32(2) . ?
C67 H67 0.9500 . ?
C68 H68 0.9500 . ?
C69 H69 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
Cu4 Cu1 HA 52.8(3) . . ?
Cu4 Cu1 Cu6 61.00(7) . . ?
Cu4 Cu1 Cu13 66.92(8) . . ?
Cu6 Cu1 HA 46.2(3) . . ?
Cu13 Cu1 HA 119.5(3) . . ?
Cu13 Cu1 Cu6 101.93(9) . . ?
S1 Cu1 HA 118.4(3) . . ?
S1 Cu1 Cu4 95.22(11) . . ?
S1 Cu1 Cu6 72.82(9) . . ?
S1 Cu1 Cu13 58.52(8) . . ?
P1 Cu1 HA 99.5(3) . . ?
P1 Cu1 Cu4 129.92(14) . . ?
P1 Cu1 Cu6 133.03(14) . . ?
P1 Cu1 Cu13 124.76(13) . . ?
P1 Cu1 S1 133.80(14) . . ?
Cu4 Cu1A HA 43.9(3) . . ?
Cu4 Cu1A Cu13 56.14(13) . . ?
Cu6 Cu1A HA 50.9(4) . . ?
Cu6 Cu1A Cu4 58.61(15) . . ?
Cu6 Cu1A Cu13 95.7(2) . . ?
Cu13 Cu1A HA 99.7(4) . . ?
S1 Cu1A HA 121.1(5) . . ?
S1 Cu1A Cu4 87.0(2) . . ?
S1 Cu1A Cu6 78.9(3) . . ?
S1 Cu1A Cu13 51.69(17) . . ?
S1 Cu1A P1 136.8(4) . . ?
P1 Cu1A HA 96.8(4) . . ?
P1 Cu1A Cu4 111.3(3) . . ?
P1 Cu1A Cu6 144.2(3) . . ?
P1 Cu1A Cu13 105.8(3) . . ?
O1A Cu1A HA 93.9(17) . . ?
O1A Cu1A Cu4 133.3(18) . . ?
O1A Cu1A Cu6 80.2(19) . . ?
O1A Cu1A Cu13 158.6(18) . . ?
O1A Cu1A S1 107.1(18) . . ?
O1A Cu1A P1 89(2) . . ?
Cu6 Cu2 HB 49.5(5) . . ?
Cu6 Cu2 Cu7 95.98(10) . . ?
Cu6 Cu2 Cu11 60.61(8) . . ?
Cu7 Cu2 HB 97(3) . . ?
Cu11 Cu2 HB 40(3) . . ?
Cu11 Cu2 Cu7 57.19(7) . . ?
S1 Cu2 HB 115(2) . . ?
S1 Cu2 Cu6 76.46(11) . . ?
S1 Cu2 Cu7 51.38(8) . . ?
S1 Cu2 Cu11 87.39(11) . . ?
P2 Cu2 HB 105.4(12) . . ?
P2 Cu2 Cu6 147.88(16) . . ?
P2 Cu2 Cu7 108.18(14) . . ?
P2 Cu2 Cu11 115.77(14) . . ?
P2 Cu2 S1 135.34(17) . . ?
O1 Cu2 HB 99(3) . . ?
O1 Cu2 Cu6 74.8(4) . . ?
O1 Cu2 Cu7 148.1(5) . . ?
O1 Cu2 Cu11 132.9(4) . . ?
O1 Cu2 S1 96.8(5) . . ?
O1 Cu2 P2 93.6(5) . . ?
HB Cu2A HC 83(4) . . ?
Cu6 Cu2A HB 43.1(4) . . ?
Cu6 Cu2A HC 104(3) . . ?
Cu7 Cu2A HB 113(3) . . ?
Cu7 Cu2A HC 48(3) . . ?
Cu7 Cu2A Cu6 100.1(2) . . ?
Cu11 Cu2A HB 46(3) . . ?
Cu11 Cu2A HC 44(3) . . ?
Cu11 Cu2A Cu6 60.13(15) . . ?
Cu11 Cu2A Cu7 67.83(17) . . ?
S1 Cu2A HB 111.1(9) . . ?
S1 Cu2A HC 104(3) . . ?
S1 Cu2A Cu6 69.68(18) . . ?
S1 Cu2A Cu7 58.09(17) . . ?
S1 Cu2A Cu11 94.0(2) . . ?
P2 Cu2A HB 105(2) . . ?
P2 Cu2A HC 108(3) . . ?
P2 Cu2A Cu6 130.8(3) . . ?
P2 Cu2A Cu7 129.1(3) . . ?
P2 Cu2A Cu11 131.9(3) . . ?
P2 Cu2A S1 134.0(3) . . ?
Cu4 Cu3 HA 53.4(3) . . ?
Cu4 Cu3 Cu6 62.74(5) . . ?
Cu4 Cu3 Cu12 70.58(5) . 5_666 ?
Cu6 Cu3 HA 48.9(4) . . ?
Cu12 Cu3 HA 123.6(3) 5_666 . ?
Cu12 Cu3 Cu6 102.06(6) 5_666 . ?
S4 Cu3 HA 118.8(4) . . ?
S4 Cu3 Cu4 97.15(7) . . ?
S4 Cu3 Cu6 70.19(7) . . ?
S4 Cu3 Cu12 57.85(7) . 5_666 ?
P4 Cu3 HA 105.7(4) . . ?
P4 Cu3 Cu4 132.01(10) . . ?
P4 Cu3 Cu6 140.72(10) . . ?
P4 Cu3 Cu12 117.10(9) . 5_666 ?
P4 Cu3 S4 128.06(10) . . ?
Cu1 Cu4 HA 47.14(19) . . ?
Cu1 Cu4 Cu3 89.38(8) . . ?
Cu1 Cu4 HE 134(2) . . ?
Cu1 Cu4 Cu6 64.44(8) . . ?
Cu1 Cu4 Cu8 107.51(8) . . ?
Cu1 Cu4 Cu13 57.19(7) . . ?
HA Cu4 HE 100(2) . . ?
Cu1A Cu4 HA 40.76(19) . . ?
Cu1A Cu4 HE 136(2) . . ?
Cu1A Cu4 Cu12 137.15(16) . 5_666 ?
Cu3 Cu4 HA 42.34(18) . . ?
Cu3 Cu4 Cu1A 82.89(16) . . ?
Cu3 Cu4 HE 63(2) . . ?
Cu3 Cu4 Cu6 61.28(5) . . ?
Cu3 Cu4 Cu8 104.79(6) . 5_666 ?
Cu3 Cu4 Cu8 151.48(7) . . ?
Cu3 Cu4 Cu9 138.33(7) . 5_666 ?
Cu3 Cu4 Cu10 90.23(6) . 5_666 ?
Cu3 Cu4 Cu12 55.73(4) . 5_666 ?
Cu3 Cu4 Cu13 146.50(7) . . ?
Cu6 Cu4 HA 47.7(3) . . ?
Cu6 Cu4 Cu1A 54.09(18) . . ?
Cu6 Cu4 HE 121(2) . . ?
Cu6 Cu4 Cu8 104.86(6) . . ?
Cu6 Cu4 Cu8 102.67(6) . 5_666 ?
Cu6 Cu4 Cu12 92.39(5) . 5_666 ?
Cu6 Cu4 Cu13 98.05(6) . . ?
Cu8 Cu4 HA 146.1(3) . . ?
Cu8 Cu4 HA 140.7(3) 5_666 . ?
Cu8 Cu4 Cu1A 148.90(18) 5_666 . ?
Cu8 Cu4 Cu1A 109.96(16) . . ?
Cu8 Cu4 HE 113(2) . . ?
Cu8 Cu4 HE 72(2) 5_666 . ?
Cu8 Cu4 Cu8 51.34(5) . 5_666 ?
Cu8 Cu4 Cu12 52.28(4) 5_666 5_666 ?
Cu8 Cu4 Cu12 103.60(5) . 5_666 ?
Cu8 Cu4 Cu13 54.21(4) . . ?
Cu8 Cu4 Cu13 105.47(5) 5_666 . ?
Cu9 Cu4 HA 129.7(3) 5_666 . ?
Cu9 Cu4 Cu1A 105.84(18) 5_666 . ?
Cu9 Cu4 HE 85(2) 5_666 . ?
Cu9 Cu4 Cu6 154.40(7) 5_666 . ?
Cu9 Cu4 Cu8 64.34(4) 5_666 . ?
Cu9 Cu4 Cu8 88.51(5) 5_666 5_666 ?
Cu9 Cu4 Cu12 112.40(6) 5_666 5_666 ?
Cu9 Cu4 Cu13 56.51(4) 5_666 . ?
Cu10 Cu4 HA 123.0(2) 5_666 . ?
Cu10 Cu4 Cu1A 147.60(18) 5_666 . ?
Cu10 Cu4 HE 27(2) 5_666 . ?
Cu10 Cu4 Cu6 145.16(6) 5_666 . ?
Cu10 Cu4 Cu8 63.40(5) 5_666 5_666 ?
Cu10 Cu4 Cu8 90.92(5) 5_666 . ?
Cu10 Cu4 Cu9 60.39(5) 5_666 5_666 ?
Cu10 Cu4 Cu12 53.33(4) 5_666 5_666 ?
Cu10 Cu4 Cu13 116.15(6) 5_666 . ?
Cu12 Cu4 HA 97.83(18) 5_666 . ?
Cu12 Cu4 HE 36(2) 5_666 . ?
Cu13 Cu4 HA 104.16(18) . . ?
Cu13 Cu4 Cu1A 63.72(16) . . ?
Cu13 Cu4 HE 141(2) . . ?
Cu13 Cu4 Cu12 157.26(6) . 5_666 ?
HB Cu5 HF 84(4) . . ?
Cu6 Cu5 HB 47.6(6) . . ?
Cu6 Cu5 HF 102(2) . . ?
Cu11 Cu5 HB 44(4) . . ?
Cu11 Cu5 HF 43(2) . . ?
Cu11 Cu5 Cu6 62.77(5) . . ?
Cu11 Cu5 Cu14 71.54(5) . 5_666 ?
Cu14 Cu5 HB 115(4) 5_666 . ?
Cu14 Cu5 HF 42(2) 5_666 . ?
Cu14 Cu5 Cu6 102.29(6) 5_666 . ?
S4 Cu5 HB 115.2(12) . . ?
S4 Cu5 HF 97(2) . . ?
S4 Cu5 Cu6 69.62(7) . . ?
S4 Cu5 Cu11 98.08(7) . . ?
S4 Cu5 Cu14 58.66(7) . 5_666 ?
P3 Cu5 HB 112(2) . . ?
P3 Cu5 HF 109(2) . . ?
P3 Cu5 Cu6 141.03(10) . . ?
P3 Cu5 Cu11 131.40(11) . . ?
P3 Cu5 Cu14 116.55(10) . 5_666 ?
P3 Cu5 S4 127.99(11) . . ?
Cu1 Cu6 HA 42.19(19) . . ?
Cu1 Cu6 HB 134(3) . . ?
HA Cu6 HB 160(3) . . ?
Cu1A Cu6 HA 47.6(2) . . ?
Cu1A Cu6 HB 135(3) . . ?
Cu1A Cu6 Cu2A 91.8(2) . . ?
Cu1A Cu6 Cu3 87.38(17) . . ?
Cu1A Cu6 Cu4 67.31(15) . . ?
Cu1A Cu6 Cu5 168.65(19) . . ?
Cu1A Cu6 Cu11 113.20(18) . . ?
Cu2 Cu6 Cu1 93.59(10) . . ?
Cu2 Cu6 HA 135.8(2) . . ?
Cu2 Cu6 HB 48(3) . . ?
Cu2 Cu6 Cu3 169.44(10) . . ?
Cu2 Cu6 Cu4 113.52(9) . . ?
Cu2 Cu6 Cu5 83.08(8) . . ?
Cu2 Cu6 Cu11 62.83(8) . . ?
Cu2A Cu6 HA 135.1(3) . . ?
Cu2A Cu6 HB 43(3) . . ?
Cu3 Cu6 Cu1 80.98(7) . . ?
Cu3 Cu6 HA 39.76(18) . . ?
Cu3 Cu6 HB 132(3) . . ?
Cu3 Cu6 Cu2A 158.69(14) . . ?
Cu3 Cu6 Cu4 55.98(5) . . ?
Cu3 Cu6 Cu5 98.82(7) . . ?
Cu3 Cu6 Cu11 109.64(6) . . ?
Cu4 Cu6 Cu1 54.55(7) . . ?
Cu4 Cu6 HA 48.4(3) . . ?
Cu4 Cu6 HB 112(3) . . ?
Cu4 Cu6 Cu2A 104.26(14) . . ?
Cu4 Cu6 Cu11 71.41(5) . . ?
Cu5 Cu6 Cu1 159.53(9) . . ?
Cu5 Cu6 HA 137.8(2) . . ?
Cu5 Cu6 HB 36(3) . . ?
Cu5 Cu6 Cu2A 78.92(15) . . ?
Cu5 Cu6 Cu4 108.36(6) . . ?
Cu5 Cu6 Cu11 55.78(5) . . ?
Cu11 Cu6 Cu1 104.77(8) . . ?
Cu11 Cu6 HA 119.9(3) . . ?
Cu11 Cu6 HB 41(3) . . ?
Cu11 Cu6 Cu2A 51.52(13) . . ?
O3 Cu6 Cu1 94.3(4) . . ?
O3 Cu6 HA 91.4(5) . . ?
O3 Cu6 Cu1A 82.4(4) . . ?
O3 Cu6 Cu2 91.1(4) . . ?
O3 Cu6 HB 108(3) . . ?
O3 Cu6 Cu2A 102.7(4) . . ?
O3 Cu6 Cu3 98.3(4) . . ?
O3 Cu6 Cu4 139.6(4) . . ?
O3 Cu6 Cu5 106.0(4) . . ?
O3 Cu6 Cu11 148.1(4) . . ?
Cu2 Cu7 HC 61(3) . . ?
Cu2A Cu7 HC 54(3) . . ?
Cu2A Cu7 Cu8 114.22(17) . . ?
Cu2A Cu7 Cu10 96.02(17) . . ?
Cu2A Cu7 Cu11 55.76(17) . . ?
Cu2A Cu7 Cu12 151.39(17) . . ?
Cu2A Cu7 Cu13 109.32(16) . . ?
Cu8 Cu7 Cu2 112.60(8) . . ?
Cu8 Cu7 HC 89(3) . . ?
Cu8 Cu7 Cu10 67.62(5) . . ?
Cu8 Cu7 Cu11 61.74(5) . . ?
Cu8 Cu7 Cu12 55.57(4) . . ?
Cu8 Cu7 Cu13 57.54(5) . . ?
Cu10 Cu7 Cu2 103.61(8) . . ?
Cu10 Cu7 HC 42(3) . . ?
Cu10 Cu7 Cu11 60.06(5) . . ?
Cu10 Cu7 Cu12 55.57(5) . . ?
Cu10 Cu7 Cu13 124.98(6) . . ?
Cu11 Cu7 Cu2 58.06(7) . . ?
Cu11 Cu7 HC 39(3) . . ?
Cu11 Cu7 Cu12 101.28(5) . . ?
Cu12 Cu7 Cu2 157.90(8) . . ?
Cu12 Cu7 HC 98(3) . . ?
Cu13 Cu7 Cu2 100.94(7) . . ?
Cu13 Cu7 HC 134(3) . . ?
Cu13 Cu7 Cu11 95.33(5) . . ?
Cu13 Cu7 Cu12 87.91(5) . . ?
S1 Cu7 Cu2 50.37(8) . . ?
S1 Cu7 Cu2A 59.13(17) . . ?
S1 Cu7 HC 110(3) . . ?
S1 Cu7 Cu8 101.44(7) . . ?
S1 Cu7 Cu10 147.24(8) . . ?
S1 Cu7 Cu11 87.36(7) . . ?
S1 Cu7 Cu12 144.11(8) . . ?
S1 Cu7 Cu13 56.44(6) . . ?
O4 Cu7 Cu2 115.3(2) . . ?
O4 Cu7 Cu2A 114.0(3) . . ?
O4 Cu7 HC 119(3) . . ?
O4 Cu7 Cu8 131.7(2) . . ?
O4 Cu7 Cu10 105.8(2) . . ?
O4 Cu7 Cu11 158.0(2) . . ?
O4 Cu7 Cu12 80.62(19) . . ?
O4 Cu7 Cu13 106.7(2) . . ?
O4 Cu7 S1 104.0(2) . . ?
Cu4 Cu8 Cu4 128.66(5) . 5_666 ?
Cu4 Cu8 HD 102(3) . . ?
Cu4 Cu8 HD 36(2) 5_666 . ?
Cu4 Cu8 HG 119(3) . . ?
Cu4 Cu8 HG 112(3) 5_666 . ?
Cu4 Cu8 Cu9 56.72(4) . 5_666 ?
Cu4 Cu8 Cu9 124.71(6) 5_666 5_666 ?
Cu4 Cu8 Cu10 128.43(6) . . ?
Cu4 Cu8 Cu10 56.36(4) 5_666 . ?
Cu4 Cu8 Cu11 69.38(5) 5_666 5_666 ?
Cu4 Cu8 Cu11 71.25(5) . . ?
Cu4 Cu8 Cu11 87.52(5) . 5_666 ?
HD Cu8 HG 128(4) . . ?
Cu7 Cu8 Cu4 112.04(6) . 5_666 ?
Cu7 Cu8 Cu4 100.14(6) . . ?
Cu7 Cu8 HD 147(2) . . ?
Cu7 Cu8 HG 56(3) . . ?
Cu7 Cu8 Cu9 120.98(6) . 5_666 ?
Cu7 Cu8 Cu10 56.42(4) . . ?
Cu7 Cu8 Cu11 167.41(6) . 5_666 ?
Cu7 Cu8 Cu11 63.01(5) . . ?
Cu8 Cu8 Cu4 65.11(6) 5_666 . ?
Cu8 Cu8 Cu4 63.55(6) 5_666 5_666 ?
Cu8 Cu8 HD 45(3) 5_666 . ?
Cu8 Cu8 Cu7 129.63(8) 5_666 . ?
Cu8 Cu8 HG 173(3) 5_666 . ?
Cu8 Cu8 Cu9 91.86(7) 5_666 5_666 ?
Cu8 Cu8 Cu10 93.96(7) 5_666 . ?
Cu8 Cu8 Cu11 62.69(6) 5_666 5_666 ?
Cu8 Cu8 Cu11 66.68(6) 5_666 . ?
Cu8 Cu8 Cu12 131.44(8) 5_666 . ?
Cu8 Cu8 Cu13 129.54(8) 5_666 . ?
Cu8 Cu8 Cu14 130.29(8) 5_666 . ?
Cu9 Cu8 HD 91(2) 5_666 . ?
Cu9 Cu8 HG 87(2) 5_666 . ?
Cu10 Cu8 HD 91(2) . . ?
Cu10 Cu8 HG 87(2) . . ?
Cu10 Cu8 Cu9 173.64(6) . 5_666 ?
Cu11 Cu8 Cu4 88.65(5) . 5_666 ?
Cu11 Cu8 HD 37(2) 5_666 . ?
Cu11 Cu8 HD 102(3) . . ?
Cu11 Cu8 HG 112(3) 5_666 . ?
Cu11 Cu8 HG 119(3) . . ?
Cu11 Cu8 Cu9 55.44(4) 5_666 5_666 ?
Cu11 Cu8 Cu9 127.91(6) . 5_666 ?
Cu11 Cu8 Cu10 125.60(6) 5_666 . ?
Cu11 Cu8 Cu10 57.21(4) . . ?
Cu11 Cu8 Cu11 129.37(5) . 5_666 ?
Cu12 Cu8 Cu4 163.31(7) . . ?
Cu12 Cu8 Cu4 67.93(5) . 5_666 ?
Cu12 Cu8 HD 94(3) . . ?
Cu12 Cu8 Cu7 68.15(5) . . ?
Cu12 Cu8 HG 44(3) . . ?
Cu12 Cu8 Cu9 118.03(6) . 5_666 ?
Cu12 Cu8 Cu10 55.88(4) . . ?
Cu12 Cu8 Cu11 111.02(6) . . ?
Cu12 Cu8 Cu11 102.13(6) . 5_666 ?
Cu12 Cu8 Cu14 62.26(5) . . ?
Cu13 Cu8 Cu4 64.57(5) . . ?
Cu13 Cu8 Cu4 166.39(6) . 5_666 ?
Cu13 Cu8 HD 148(2) . . ?
Cu13 Cu8 Cu7 63.96(5) . . ?
Cu13 Cu8 HG 55(3) . . ?
Cu13 Cu8 Cu9 57.05(4) . 5_666 ?
Cu13 Cu8 Cu10 120.20(6) . . ?
Cu13 Cu8 Cu11 100.05(6) . . ?
Cu13 Cu8 Cu11 111.54(6) . 5_666 ?
Cu13 Cu8 Cu12 99.00(6) . . ?
Cu13 Cu8 Cu14 66.96(5) . . ?
Cu14 Cu8 Cu4 110.45(6) . . ?
Cu14 Cu8 Cu4 102.23(6) . 5_666 ?
Cu14 Cu8 HD 94(3) . . ?
Cu14 Cu8 Cu7 100.07(6) . . ?
Cu14 Cu8 HG 45(3) . . ?
Cu14 Cu8 Cu9 55.77(4) . 5_666 ?
Cu14 Cu8 Cu10 118.12(6) . . ?
Cu14 Cu8 Cu11 162.65(7) . . ?
Cu14 Cu8 Cu11 67.72(5) . 5_666 ?
H Cu9 HF 156(5) . . ?
Cu4 Cu9 H 44(4) 5_666 . ?
Cu4 Cu9 HF 127(3) 5_666 . ?
Cu4 Cu9 Cu8 58.93(4) 5_666 5_666 ?
Cu4 Cu9 Cu10 59.58(5) 5_666 . ?
Cu8 Cu9 H 85(4) 5_666 . ?
Cu8 Cu9 HF 74(3) 5_666 . ?
Cu10 Cu9 H 93(4) . . ?
Cu10 Cu9 HF 97(3) . . ?
Cu10 Cu9 Cu8 87.45(5) . 5_666 ?
Cu11 Cu9 H 136(4) . . ?
Cu11 Cu9 Cu4 92.63(5) . 5_666 ?
Cu11 Cu9 HF 40(3) . . ?
Cu11 Cu9 Cu8 61.43(4) . 5_666 ?
Cu11 Cu9 Cu10 60.31(5) . . ?
Cu13 Cu9 H 49(4) 5_666 . ?
Cu13 Cu9 Cu4 64.62(5) 5_666 5_666 ?
Cu13 Cu9 HF 108(3) 5_666 . ?
Cu13 Cu9 Cu8 54.74(4) 5_666 5_666 ?
Cu13 Cu9 Cu10 123.33(6) 5_666 . ?
Cu13 Cu9 Cu11 115.15(6) 5_666 . ?
Cu14 Cu9 H 115(4) 5_666 . ?
Cu14 Cu9 Cu4 112.52(6) 5_666 5_666 ?
Cu14 Cu9 HF 43(3) 5_666 . ?
Cu14 Cu9 Cu8 55.71(4) 5_666 5_666 ?
Cu14 Cu9 Cu10 128.86(6) 5_666 . ?
Cu14 Cu9 Cu11 70.52(5) 5_666 . ?
Cu14 Cu9 Cu13 65.91(5) 5_666 5_666 ?
O2 Cu9 H 98(4) . . ?
O2 Cu9 Cu4 117.3(2) . 5_666 ?
O2 Cu9 HF 105(3) . . ?
O2 Cu9 Cu8 170.5(2) . 5_666 ?
O2 Cu9 Cu10 83.3(2) . . ?
O2 Cu9 Cu11 111.5(2) . . ?
O2 Cu9 Cu13 133.2(2) . 5_666 ?
O2 Cu9 Cu14 129.9(2) . 5_666 ?
HC Cu10 HE 157(5) . 5_666 ?
Cu4 Cu10 HC 132(4) 5_666 . ?
Cu4 Cu10 HE 43(4) 5_666 5_666 ?
Cu4 Cu10 Cu8 60.25(4) 5_666 . ?
Cu4 Cu10 Cu9 60.03(5) 5_666 . ?
Cu4 Cu10 Cu11 92.38(5) 5_666 . ?
Cu7 Cu10 HC 48(4) . . ?
Cu7 Cu10 Cu4 115.43(6) . 5_666 ?
Cu7 Cu10 HE 110(4) . 5_666 ?
Cu7 Cu10 Cu8 55.96(4) . . ?
Cu7 Cu10 Cu9 122.38(6) . . ?
Cu7 Cu10 Cu11 63.72(5) . . ?
Cu8 Cu10 HC 83(4) . . ?
Cu8 Cu10 HE 77(4) . 5_666 ?
Cu9 Cu10 HC 90(4) . . ?
Cu9 Cu10 HE 99(4) . 5_666 ?
Cu9 Cu10 Cu8 86.62(5) . . ?
Cu9 Cu10 Cu11 59.44(5) . . ?
Cu11 Cu10 HC 40(4) . . ?
Cu11 Cu10 HE 130(4) . 5_666 ?
Cu11 Cu10 Cu8 59.29(4) . . ?
Cu12 Cu10 HC 116(4) . . ?
Cu12 Cu10 Cu4 69.69(5) . 5_666 ?
Cu12 Cu10 HE 43(4) . 5_666 ?
Cu12 Cu10 Cu7 67.87(5) . . ?
Cu12 Cu10 Cu8 55.72(4) . . ?
Cu12 Cu10 Cu9 127.91(6) . . ?
Cu12 Cu10 Cu11 112.87(6) . . ?
O5 Cu10 HC 102(4) . . ?
O5 Cu10 Cu4 110.9(2) . 5_666 ?
O5 Cu10 HE 100(4) . 5_666 ?
O5 Cu10 Cu7 133.5(2) . . ?
O5 Cu10 Cu8 169.9(2) . . ?
O5 Cu10 Cu9 84.4(2) . . ?
O5 Cu10 Cu11 119.0(2) . . ?
O5 Cu10 Cu12 127.9(2) . . ?
Cu2 Cu11 HB 44(3) . . ?
Cu2 Cu11 HC 67(3) . . ?
Cu2 Cu11 HF 126(3) . . ?
HB Cu11 HC 99(4) . . ?
HB Cu11 HF 86(4) . . ?
Cu2A Cu11 HB 53(3) . . ?
Cu2A Cu11 HC 55(3) . . ?
Cu2A Cu11 Cu5 91.29(16) . . ?
Cu2A Cu11 HF 129(3) . . ?
Cu2A Cu11 Cu6 68.35(15) . . ?
Cu2A Cu11 Cu7 56.41(16) . . ?
Cu2A Cu11 Cu8 108.71(17) . . ?
Cu2A Cu11 Cu8 155.01(18) . 5_666 ?
Cu2A Cu11 Cu9 138.06(17) . . ?
Cu2A Cu11 Cu10 93.73(15) . . ?
Cu2A Cu11 Cu14 146.28(16) . 5_666 ?
HC Cu11 HF 114(4) . . ?
Cu5 Cu11 Cu2 82.67(8) . . ?
Cu5 Cu11 HB 39(3) . . ?
Cu5 Cu11 HC 124(4) . . ?
Cu5 Cu11 HF 51(3) . . ?
Cu5 Cu11 Cu6 61.45(5) . . ?
Cu5 Cu11 Cu7 147.41(7) . . ?
Cu5 Cu11 Cu8 149.58(6) . . ?
Cu5 Cu11 Cu8 103.12(6) . 5_666 ?
Cu5 Cu11 Cu9 90.54(6) . . ?
Cu5 Cu11 Cu10 139.78(7) . . ?
Cu5 Cu11 Cu14 55.00(4) . 5_666 ?
Cu6 Cu11 Cu2 56.56(8) . . ?
Cu6 Cu11 HB 47.2(4) . . ?
Cu6 Cu11 HC 122(4) . . ?
Cu6 Cu11 HF 108(3) . . ?
Cu6 Cu11 Cu7 98.41(6) . . ?
Cu6 Cu11 Cu8 100.57(5) . 5_666 ?
Cu6 Cu11 Cu14 91.77(5) . 5_666 ?
Cu7 Cu11 Cu2 64.75(8) . . ?
Cu7 Cu11 HB 109(3) . . ?
Cu7 Cu11 HC 43(4) . . ?
Cu7 Cu11 HF 153(3) . . ?
Cu7 Cu11 Cu8 105.84(5) . 5_666 ?
Cu7 Cu11 Cu14 157.00(6) . 5_666 ?
Cu8 Cu11 Cu2 112.82(8) . . ?
Cu8 Cu11 HB 135(3) 5_666 . ?
Cu8 Cu11 HB 148.2(16) . . ?
Cu8 Cu11 HC 126(3) 5_666 . ?
Cu8 Cu11 HC 86(4) . . ?
Cu8 Cu11 HF 75(3) 5_666 . ?
Cu8 Cu11 HF 121(3) . . ?
Cu8 Cu11 Cu6 104.14(6) . . ?
Cu8 Cu11 Cu7 55.25(4) . . ?
Cu8 Cu11 Cu8 50.63(5) . 5_666 ?
Cu8 Cu11 Cu14 51.74(4) 5_666 5_666 ?
Cu8 Cu11 Cu14 102.31(5) . 5_666 ?
Cu9 Cu11 Cu2 146.12(8) . . ?
Cu9 Cu11 HB 122(2) . . ?
Cu9 Cu11 HC 90(4) . . ?
Cu9 Cu11 HF 40(3) . . ?
Cu9 Cu11 Cu6 144.70(6) . . ?
Cu9 Cu11 Cu7 115.77(6) . . ?
Cu9 Cu11 Cu8 89.38(5) . . ?
Cu9 Cu11 Cu8 63.13(4) . 5_666 ?
Cu9 Cu11 Cu10 60.25(5) . . ?
Cu9 Cu11 Cu14 53.19(4) . 5_666 ?
Cu10 Cu11 Cu2 105.86(8) . . ?
Cu10 Cu11 HB 134.9(19) . . ?
Cu10 Cu11 HC 40(3) . . ?
Cu10 Cu11 HF 97(3) . . ?
Cu10 Cu11 Cu6 154.62(7) . . ?
Cu10 Cu11 Cu7 56.21(4) . . ?
Cu10 Cu11 Cu8 63.50(4) . . ?
Cu10 Cu11 Cu8 88.34(5) . 5_666 ?
Cu10 Cu11 Cu14 112.05(6) . 5_666 ?
Cu14 Cu11 HB 93(3) 5_666 . ?
Cu14 Cu11 HC 142(4) 5_666 . ?
Cu14 Cu11 HF 31(3) 5_666 . ?
Cu3 Cu12 Cu4 53.70(4) 5_666 5_666 ?
Cu3 Cu12 HE 63(3) 5_666 5_666 ?
Cu3 Cu12 Cu7 147.46(6) 5_666 . ?
Cu3 Cu12 HG 140(2) 5_666 . ?
Cu3 Cu12 Cu14 106.84(6) 5_666 . ?
Cu4 Cu12 HE 39(3) 5_666 5_666 ?
Cu4 Cu12 HG 97(3) 5_666 . ?
Cu7 Cu12 Cu4 98.69(5) . 5_666 ?
Cu7 Cu12 HE 85(3) . 5_666 ?
Cu7 Cu12 HG 48(2) . . ?
Cu8 Cu12 Cu3 109.94(6) . 5_666 ?
Cu8 Cu12 Cu4 59.79(4) . 5_666 ?
Cu8 Cu12 HE 79(3) . 5_666 ?
Cu8 Cu12 Cu7 56.27(4) . . ?
Cu8 Cu12 HG 37(3) . . ?
Cu8 Cu12 Cu10 68.39(5) . . ?
Cu8 Cu12 Cu14 59.23(4) . . ?
HG Cu12 HE 113(4) . 5_666 ?
Cu10 Cu12 Cu3 91.40(6) . 5_666 ?
Cu10 Cu12 Cu4 56.99(4) . 5_666 ?
Cu10 Cu12 HE 28(3) . 5_666 ?
Cu10 Cu12 Cu7 56.56(5) . . ?
Cu10 Cu12 HG 92(2) . . ?
Cu10 Cu12 Cu14 127.60(6) . . ?
Cu14 Cu12 Cu4 95.32(5) . 5_666 ?
Cu14 Cu12 HE 132(3) . 5_666 ?
Cu14 Cu12 Cu7 91.08(5) . . ?
Cu14 Cu12 HG 43(2) . . ?
S4 Cu12 Cu3 55.70(7) 5_666 5_666 ?
S4 Cu12 Cu4 85.28(7) 5_666 5_666 ?
S4 Cu12 HE 115(3) 5_666 5_666 ?
S4 Cu12 Cu7 148.76(8) 5_666 . ?
S4 Cu12 Cu8 101.66(7) 5_666 . ?
S4 Cu12 HG 101(2) 5_666 . ?
S4 Cu12 Cu10 141.32(8) 5_666 . ?
S4 Cu12 Cu14 57.69(7) 5_666 . ?
O7 Cu12 Cu3 116.2(2) . 5_666 ?
O7 Cu12 Cu4 157.3(2) . 5_666 ?
O7 Cu12 HE 119(3) . 5_666 ?
O7 Cu12 Cu7 82.3(2) . . ?
O7 Cu12 Cu8 133.8(2) . . ?
O7 Cu12 HG 100(3) . . ?
O7 Cu12 Cu10 107.3(2) . . ?
O7 Cu12 Cu14 107.3(2) . . ?
O7 Cu12 S4 105.6(2) . 5_666 ?
Cu1 Cu13 Cu4 55.89(6) . . ?
Cu1 Cu13 Cu7 105.21(8) . . ?
Cu1 Cu13 HG 147(2) . . ?
Cu1 Cu13 Cu14 152.39(8) . . ?
Cu1A Cu13 HG 143(2) . . ?
Cu4 Cu13 Cu1A 60.14(13) . . ?
Cu4 Cu13 HG 99(2) . . ?
Cu7 Cu13 Cu1A 97.39(18) . . ?
Cu7 Cu13 Cu4 94.83(5) . . ?
Cu7 Cu13 HG 50.7(19) . . ?
Cu7 Cu13 Cu14 90.84(5) . . ?
Cu8 Cu13 Cu1 112.81(8) . . ?
Cu8 Cu13 Cu1A 112.81(16) . . ?
Cu8 Cu13 Cu4 61.22(5) . . ?
Cu8 Cu13 Cu7 58.50(5) . . ?
Cu8 Cu13 HG 38(2) . . ?
Cu8 Cu13 Cu9 68.21(5) . 5_666 ?
Cu8 Cu13 Cu14 56.94(5) . . ?
Cu9 Cu13 Cu1A 104.83(14) 5_666 . ?
Cu9 Cu13 Cu4 58.86(5) 5_666 . ?
Cu9 Cu13 Cu7 126.67(6) 5_666 . ?
Cu9 Cu13 HG 86(2) 5_666 . ?
Cu9 Cu13 Cu14 56.30(5) 5_666 . ?
Cu14 Cu13 Cu1A 160.08(13) . . ?
Cu14 Cu13 Cu4 101.23(5) . . ?
Cu14 Cu13 HG 40(2) . . ?
S1 Cu13 Cu1 56.19(8) . . ?
S1 Cu13 Cu1A 47.21(16) . . ?
S1 Cu13 Cu4 86.98(7) . . ?
S1 Cu13 Cu7 55.22(6) . . ?
S1 Cu13 Cu8 101.23(7) . . ?
S1 Cu13 HG 105.9(19) . . ?
S1 Cu13 Cu9 145.49(8) . 5_666 ?
S1 Cu13 Cu14 145.82(8) . . ?
O8 Cu13 Cu1 110.3(2) . . ?
O8 Cu13 Cu1A 110.7(3) . . ?
O8 Cu13 Cu4 150.6(2) . . ?
O8 Cu13 Cu7 114.4(2) . . ?
O8 Cu13 Cu8 136.5(2) . . ?
O8 Cu13 HG 102(2) . . ?
O8 Cu13 Cu9 102.0(2) . 5_666 ?
O8 Cu13 Cu14 81.9(2) . . ?
O8 Cu13 S1 106.9(2) . . ?
Cu5 Cu14 HG 139(2) 5_666 . ?
Cu5 Cu14 Cu11 53.46(4) 5_666 5_666 ?
Cu5 Cu14 Cu12 105.86(6) 5_666 . ?
Cu5 Cu14 Cu13 148.84(6) 5_666 . ?
Cu8 Cu14 Cu5 109.89(6) . 5_666 ?
Cu8 Cu14 HG 37(2) . . ?
Cu8 Cu14 Cu9 68.51(5) . 5_666 ?
Cu8 Cu14 Cu11 60.54(4) . 5_666 ?
Cu8 Cu14 Cu12 58.52(4) . . ?
Cu8 Cu14 Cu13 56.10(4) . . ?
Cu9 Cu14 Cu5 91.69(6) 5_666 5_666 ?
Cu9 Cu14 HG 93(2) 5_666 . ?
Cu9 Cu14 Cu11 56.29(4) 5_666 5_666 ?
Cu9 Cu14 Cu12 127.03(6) 5_666 . ?
Cu9 Cu14 Cu13 57.80(5) 5_666 . ?
Cu11 Cu14 HG 97(2) 5_666 . ?
Cu12 Cu14 HG 43(2) . . ?
Cu12 Cu14 Cu11 95.37(5) . 5_666 ?
Cu12 Cu14 Cu13 90.18(5) . . ?
Cu13 Cu14 HG 48(2) . . ?
Cu13 Cu14 Cu11 99.39(5) . 5_666 ?
S4 Cu14 Cu5 55.70(7) 5_666 5_666 ?
S4 Cu14 Cu8 100.20(7) 5_666 . ?
S4 Cu14 HG 99(2) 5_666 . ?
S4 Cu14 Cu9 140.78(8) 5_666 5_666 ?
S4 Cu14 Cu11 85.10(7) 5_666 5_666 ?
S4 Cu14 Cu12 56.47(7) 5_666 . ?
S4 Cu14 Cu13 146.65(8) 5_666 . ?
O6 Cu14 Cu5 113.1(2) . 5_666 ?
O6 Cu14 Cu8 136.5(2) . . ?
O6 Cu14 HG 105(2) . . ?
O6 Cu14 Cu9 103.6(2) . 5_666 ?
O6 Cu14 Cu11 150.9(2) . 5_666 ?
O6 Cu14 Cu12 113.7(2) . . ?
O6 Cu14 Cu13 82.9(2) . . ?
O6 Cu14 S4 108.9(2) . 5_666 ?
Cu1 S1 Cu7 124.27(12) . . ?
Cu1 S1 Cu13 65.30(9) . . ?
Cu1A S1 Cu2A 116.7(3) . . ?
Cu1A S1 Cu7 136.82(19) . . ?
Cu1A S1 Cu13 81.1(2) . . ?
Cu2 S1 Cu1 114.89(14) . . ?
Cu2 S1 Cu7 78.25(11) . . ?
Cu2 S1 Cu13 133.92(12) . . ?
Cu2A S1 Cu13 122.76(18) . . ?
Cu7 S1 Cu2A 62.78(15) . . ?
Cu7 S1 Cu13 68.34(7) . . ?
C44 S1 Cu1 115.8(5) . . ?
C44 S1 Cu1A 108.5(6) . . ?
C44 S1 Cu2 102.5(5) . . ?
C44 S1 Cu2A 106.3(5) . . ?
C44 S1 Cu7 112.7(5) . . ?
C44 S1 Cu13 119.0(5) . . ?
C51 S2 C57 90.8(7) . . ?
C65 S3 C44 92.6(9) . . ?
Cu3 S4 Cu5 121.14(11) . . ?
Cu3 S4 Cu12 66.44(8) . 5_666 ?
Cu3 S4 Cu14 122.98(10) . 5_666 ?
Cu5 S4 Cu12 122.47(10) . 5_666 ?
Cu5 S4 Cu14 65.64(7) . 5_666 ?
Cu12 S4 Cu14 65.84(7) 5_666 5_666 ?
C51 S4 Cu3 111.7(5) . . ?
C51 S4 Cu5 116.0(5) . . ?
C51 S4 Cu12 109.6(5) . 5_666 ?
C51 S4 Cu14 112.2(5) . 5_666 ?
C25 P1 Cu1A 102.7(5) . . ?
C25 P1 C31 101.7(6) . . ?
C25 P1 C40 107.7(6) . . ?
C25A P1 Cu1 121(3) . . ?
C31 P1 Cu1 117.0(3) . . ?
C31 P1 Cu1A 130.8(4) . . ?
C31 P1 C25A 108(2) . . ?
C31 P1 C40 103.8(5) . . ?
C40 P1 Cu1 108.7(3) . . ?
C40 P1 Cu1A 108.4(4) . . ?
C40 P1 C25A 95(3) . . ?
C13 P2 Cu2 124.5(4) . . ?
C13 P2 Cu2A 109.8(5) . . ?
C13 P2 C19 102.4(7) . . ?
C13 P2 C42 104.5(5) . . ?
C19 P2 Cu2 111.6(5) . . ?
C19 P2 Cu2A 125.1(5) . . ?
C42 P2 Cu2 108.1(3) . . ?
C42 P2 Cu2A 109.3(4) . . ?
C42 P2 C19 103.8(6) . . ?
C1 P3 Cu5 112.3(4) . . ?
C1 P3 C7 101.0(11) . . ?
C1A P3 Cu5 117.2(14) . . ?
C7 P3 Cu5 113.3(8) . . ?
C7A P3 Cu5 122.7(16) . . ?
C7A P3 C1A 111(3) . . ?
C7A P3 C54 99(2) . . ?
C54 P3 Cu5 113.5(4) . . ?
C54 P3 C1 108.3(5) . . ?
C54 P3 C1A 86.0(14) . . ?
C54 P3 C7 107.6(9) . . ?
C46 P4 Cu3 116.8(4) . . ?
C46 P4 C48 105.9(6) . . ?
C46 P4 C52 103.8(6) . . ?
C48 P4 Cu3 110.8(5) . . ?
C48 P4 C52 102.8(6) . . ?
C52 P4 Cu3 115.3(4) . . ?
C37 O1 Cu2 127.6(13) . . ?
C37A O1A Cu1A 128(5) . . ?
C38 O2 Cu9 120.9(6) . . ?
C37 O3 Cu6 119.7(13) . . ?
C37A O3 Cu6 125(4) . . ?
C39 O4 Cu7 123.5(6) . . ?
C38 O5 Cu10 119.6(6) . . ?
C43 O6 Cu14 121.9(6) . . ?
C39 O7 Cu12 123.3(6) . . ?
C43 O8 Cu13 123.1(7) . . ?
C2 C1 P3 121.1(10) . . ?
C2 C1 C6 120.8(14) . . ?
C6 C1 P3 118.1(10) . . ?
C2A C1A P3 125(2) . . ?
C2A C1A C6A 120.0 . . ?
C6A C1A P3 114(2) . . ?
C1A C2A H2A 120.0 . . ?
C3A C2A C1A 120.0 . . ?
C3A C2A H2A 120.0 . . ?
C2A C3A H3A 120.0 . . ?
C2A C3A C4A 120.0 . . ?
C4A C3A H3A 120.0 . . ?
C3A C4A H4A 120.0 . . ?
C5A C4A C3A 120.0 . . ?
C5A C4A H4A 120.0 . . ?
C4A C5A H5A 120.0 . . ?
C4A C5A C6A 120.0 . . ?
C6A C5A H5A 120.0 . . ?
C1A C6A H6A 120.0 . . ?
C5A C6A C1A 120.0 . . ?
C5A C6A H6A 120.0 . . ?
C1 C2 H2 120.3 . . ?
C1 C2 C3 119.4(15) . . ?
C3 C2 H2 120.3 . . ?
C2 C3 H3 119.5 . . ?
C4 C3 C2 121.0(17) . . ?
C4 C3 H3 119.5 . . ?
C3 C4 H4 120.7 . . ?
C3 C4 C5 118.5(16) . . ?
C5 C4 H4 120.7 . . ?
C4 C5 H5 119.1 . . ?
C4 C5 C6 121.8(17) . . ?
C6 C5 H5 119.1 . . ?
C1 C6 H6 120.8 . . ?
C5 C6 C1 118.5(15) . . ?
C5 C6 H6 120.8 . . ?
C8 C7 P3 119.6(19) . . ?
C12 C7 P3 120.0(17) . . ?
C12 C7 C8 120(2) . . ?
C8A C7A P3 123(3) . . ?
C12A C7A P3 118(3) . . ?
C12A C7A C8A 119(5) . . ?
C7 C8 H8 121.6 . . ?
C9 C8 C7 117(2) . . ?
C9 C8 H8 121.6 . . ?
C7A C8A H8A 119.1 . . ?
C9A C8A C7A 122(4) . . ?
C9A C8A H8A 119.1 . . ?
C8 C9 H9 119.4 . . ?
C10 C9 C8 121.2(18) . . ?
C10 C9 H9 119.4 . . ?
C8A C9A H9A 121.0 . . ?
C10A C9A C8A 118(4) . . ?
C10A C9A H9A 121.0 . . ?
C9 C10 H10 119.4 . . ?
C9 C10 C11 121.1(19) . . ?
C11 C10 H10 119.4 . . ?
C9A C10A H10A 120.1 . . ?
C9A C10A C11A 120(4) . . ?
C11A C10A H10A 120.1 . . ?
C10 C11 H11 119.7 . . ?
C10 C11 C12 121(2) . . ?
C12 C11 H11 119.7 . . ?
C10A C11A H11A 119.7 . . ?
C10A C11A C12A 121(4) . . ?
C12A C11A H11A 119.7 . . ?
C7 C12 C11 119.9(19) . . ?
C7 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C7A C12A C11A 119(4) . . ?
C7A C12A H12A 120.4 . . ?
C11A C12A H12A 120.4 . . ?
C14 C13 P2 124.0(11) . . ?
C14 C13 C16 118.5(15) . . ?
C14A C13 P2 127.1(16) . . ?
C14A C13 C18A 108(2) . . ?
C16 C13 P2 117.2(11) . . ?
C18A C13 P2 124.5(16) . . ?
C13 C14 H14 119.4 . . ?
C13 C14 C15 121.2(16) . . ?
C15 C14 H14 119.4 . . ?
C13 C14A H14A 113.2 . . ?
C13 C14A C15A 134(3) . . ?
C15A C14A H14A 113.2 . . ?
C14 C15 H15 120.9 . . ?
C16A C15 C14 118.2(16) . . ?
C16A C15 H15 120.9 . . ?
C14A C15A H15A 126.8 . . ?
C16A C15A C14A 106(3) . . ?
C16A C15A H15A 126.8 . . ?
C13 C16 H16 121.0 . . ?
C13 C16 C17 118.1(18) . . ?
C17 C16 H16 121.0 . . ?
C15 C16A H16A 121.0 . . ?
C15 C16A C17 118.0(15) . . ?
C15A C16A H16B 117.4 . . ?
C15A C16A C17A 125(2) . . ?
C17 C16A H16A 121.0 . . ?
C17A C16A H16B 117.4 . . ?
C16 C17 H17 118.9 . . ?
C16A C17 C16 122.1(18) . . ?
C16A C17 H17 118.9 . . ?
C16A C17A H17A 122.0 . . ?
C16A C17A C18A 116(3) . . ?
C18A C17A H17A 122.0 . . ?
C33A C18 H18 117.3 . . ?
C33A C18 C34 125(3) . . ?
C34 C18 H18 117.3 . . ?
C13 C18A H18A 117.5 . . ?
C17A C18A C13 125(3) . . ?
C17A C18A H18A 117.5 . . ?
C21 C20 H20 120.8 . . ?
C19 C20 H20 120.8 . . ?
C19 C20 C21 118(3) . . ?
C20 C21 H21 115.8 . . ?
C22 C21 C20 128(4) . . ?
C22 C21 H21 115.8 . . ?
C22 C21A H21A 120.0 . . ?
C22 C21A C20A 120.0 . . ?
C20A C21A H21A 120.0 . . ?
C21 C22 H22 120.9 . . ?
C21 C22 C23 118(2) . . ?
C21A C22 H22A 120.0 . . ?
C23A C22 C21A 120.0 . . ?
C23A C22 H22A 120.0 . . ?
C23 C22 H22 120.9 . . ?
C22 C23A H23A 120.0 . . ?
C24A C23A C22 120.0 . . ?
C24A C23A H23A 120.0 . . ?
C23A C24A H24A 120.0 . . ?
C23A C24A C19 120.0 . . ?
C19 C24A H24A 120.0 . . ?
C20 C19 P2 124.7(16) . . ?
C20 C19 C24 122(2) . . ?
C24A C19 P2 120.4(10) . . ?
C20A C19 P2 119.6(10) . . ?
C20A C19 C24A 120.0 . . ?
C24 C19 P2 113.4(16) . . ?
C21A C20A H20A 120.0 . . ?
C19 C20A C21A 120.0 . . ?
C19 C20A H20A 120.0 . . ?
C22 C23 H23 121.5 . . ?
C24 C23 C22 117(3) . . ?
C24 C23 H23 121.5 . . ?
C19 C24 H24 122.2 . . ?
C23 C24 C19 116(3) . . ?
C23 C24 H24 122.2 . . ?
C26 C25 P1 122.6(13) . . ?
C26 C25 C30 118.6(16) . . ?
C30 C25 P1 118.5(12) . . ?
C26A C25A P1 120(6) . . ?
C30A C25A P1 111(6) . . ?
C30A C25A C26A 129(10) . . ?
C25 C26 H26 121.6 . . ?
C25 C26 C27 117(2) . . ?
C27 C26 H26 121.6 . . ?
C25A C26A H26A 122.1 . . ?
C27A C26A C25A 116(9) . . ?
C27A C26A H26A 122.1 . . ?
C26 C27 H27 118.8 . . ?
C28 C27 C26 122(3) . . ?
C28 C27 H27 118.8 . . ?
C26A C27A H27A 121.6 . . ?
C26A C27A C28A 117(8) . . ?
C28A C27A H27A 121.6 . . ?
C27 C28 H28 119.7 . . ?
C27 C28 C29 121(2) . . ?
C29 C28 H28 119.7 . . ?
C27A C28A H28A 118.6 . . ?
C29A C28A C27A 123(8) . . ?
C29A C28A H28A 118.6 . . ?
C28 C29 H29 120.4 . . ?
C30 C29 C28 119(2) . . ?
C30 C29 H29 120.4 . . ?
C28A C29A H29A 119.1 . . ?
C30A C29A C28A 122(8) . . ?
C30A C29A H29A 119.1 . . ?
C25 C30 H30 119.3 . . ?
C29 C30 C25 121(2) . . ?
C29 C30 H30 119.3 . . ?
C25A C30A H30A 124.4 . . ?
C29A C30A C25A 111(8) . . ?
C29A C30A H30A 124.4 . . ?
C31A C31 P1 122.6(16) . . ?
C32 C31 P1 121.8(10) . . ?
C33A C31 P1 117.8(13) . . ?
C33A C31 C31A 120(2) . . ?
C36 C31 P1 121.0(9) . . ?
C36 C31 C32 117.2(13) . . ?
C31 C31A H31A 118.6 . . ?
C32A C31A C31 123(3) . . ?
C32A C31A H31A 118.6 . . ?
C31 C32 H32 119.7 . . ?
C33 C32 C31 120.5(16) . . ?
C33 C32 H32 119.7 . . ?
C31A C32A H32A 121.3 . . ?
C34 C32A C31A 117(3) . . ?
C34 C32A H32A 121.3 . . ?
C32 C33 H33 119.6 . . ?
C34 C33 C32 120.9(17) . . ?
C34 C33 H33 119.6 . . ?
C18 C33A H33A 122.1 . . ?
C31 C33A C18 116(3) . . ?
C31 C33A H33A 122.1 . . ?
C18 C34 H34A 121.7 . . ?
C32A C34 C18 117(2) . . ?
C32A C34 H34A 121.7 . . ?
C33 C34 H34 120.2 . . ?
C33 C34 C35 119.6(14) . . ?
C35 C34 H34 120.2 . . ?
C34 C35 H35 120.7 . . ?
C36 C35 C34 118.6(16) . . ?
C36 C35 H35 120.7 . . ?
C31 C36 H36 118.7 . . ?
C35 C36 C31 122.6(16) . . ?
C35 C36 H36 118.7 . . ?
O1 C37 C70 116.5(16) . . ?
O3 C37 O1 120(2) . . ?
O3 C37 C70 118.4(17) . . ?
O1A C37A C70 130(4) . . ?
O3 C37A O1A 110(6) . . ?
O3 C37A C70 117(5) . . ?
O2 C38 C53 116.2(8) . . ?
O5 C38 O2 130.2(9) . . ?
O5 C38 C53 113.6(9) . . ?
O4 C39 C55 115.0(9) . . ?
O7 C39 O4 128.6(9) . . ?
O7 C39 C55 116.5(9) . . ?
P1 C40 H40A 109.6 . . ?
P1 C40 H40B 109.6 . . ?
H40A C40 H40B 108.1 . . ?
C47 C40 P1 110.3(7) . . ?
C47 C40 H40A 109.6 . . ?
C47 C40 H40B 109.6 . . ?
C44 C41 H41 128.7 . . ?
C49 C41 H41 128.7 . . ?
C49 C41 C44 102.6(13) . . ?
P2 C42 H42A 109.0 . . ?
P2 C42 H42B 109.0 . . ?
H42A C42 H42B 107.8 . . ?
C50 C42 P2 113.0(7) . . ?
C50 C42 H42A 109.0 . . ?
C50 C42 H42B 109.0 . . ?
O6 C43 C62 115.2(9) . . ?
O8 C43 O6 129.6(10) . . ?
O8 C43 C62 115.2(10) . . ?
S3 C44 S1 119.2(7) . . ?
C41 C44 S1 125.9(10) . . ?
C41 C44 S3 114.1(10) . . ?
C46 C45 H45 119.5 . . ?
C46 C45 C58 120.9(12) . . ?
C58 C45 H45 119.5 . . ?
C45 C46 P4 119.9(9) . . ?
C45 C46 C63 118.9(11) . . ?
C63 C46 P4 121.1(11) . . ?
C40 C47 H47A 108.9 . . ?
C40 C47 H47B 108.9 . . ?
C40 C47 C52 113.5(9) . . ?
H47A C47 H47B 107.7 . . ?
C52 C47 H47A 108.9 . . ?
C52 C47 H47B 108.9 . . ?
C56 C48 P4 117.8(9) . . ?
C60 C48 P4 123.3(11) . . ?
C60 C48 C56 118.9(12) . . ?
C41 C49 H49 120.7 . . ?
C65 C49 C41 118.5(15) . . ?
C65 C49 H49 120.7 . . ?
C42 C50 H50A 108.6 . . ?
C42 C50 H50B 108.6 . . ?
C42 C50 C54 114.8(9) . . ?
H50A C50 H50B 107.5 . . ?
C54 C50 H50A 108.6 . . ?
C54 C50 H50B 108.6 . . ?
S2 C51 S4 118.2(8) . . ?
C59 C51 S2 111.8(9) . . ?
C59 C51 S4 129.9(10) . . ?
P4 C52 H52A 108.6 . . ?
P4 C52 H52B 108.6 . . ?
C47 C52 P4 114.8(8) . . ?
C47 C52 H52A 108.6 . . ?
C47 C52 H52B 108.6 . . ?
H52A C52 H52B 107.5 . . ?
F1 C53 F2 109.0(10) . . ?
F1 C53 C38 106.0(11) . . ?
F1A C53 F2A 102.6(15) . . ?
F1A C53 F3A 118.0(15) . . ?
F1A C53 C38 116.7(11) . . ?
F1B C53 C38 111.6(12) . . ?
F2 C53 C38 110.6(11) . . ?
F2A C53 C38 109.1(11) . . ?
F2B C53 F1B 103.9(15) . . ?
F2B C53 F3B 107.9(16) . . ?
F2B C53 C38 114.9(11) . . ?
F3 C53 F1 109.4(9) . . ?
F3 C53 F2 109.6(10) . . ?
F3 C53 C38 112.1(11) . . ?
F3A C53 F2A 97.1(16) . . ?
F3A C53 C38 110.7(11) . . ?
F3B C53 F1B 103.7(15) . . ?
F3B C53 C38 113.8(12) . . ?
P3 C54 H54A 108.8 . . ?
P3 C54 H54B 108.8 . . ?
C50 C54 P3 113.9(8) . . ?
C50 C54 H54A 108.8 . . ?
C50 C54 H54B 108.8 . . ?
H54A C54 H54B 107.7 . . ?
F4 C55 C39 115.6(11) . . ?
F4A C55 C39 107.0(11) . . ?
F5 C55 F4 98.8(14) . . ?
F5 C55 F6 112.3(15) . . ?
F5 C55 C39 116.0(11) . . ?
F5A C55 F4A 108.1(11) . . ?
F5A C55 C39 111.9(11) . . ?
F6 C55 F4 101.6(13) . . ?
F6 C55 C39 111.1(12) . . ?
F6A C55 F4A 107.6(10) . . ?
F6A C55 F5A 108.9(11) . . ?
F6A C55 C39 113.1(11) . . ?
C48 C56 H56 119.8 . . ?
C61 C56 C48 120.5(13) . . ?
C61 C56 H56 119.8 . . ?
S2 C57 H57 124.4 . . ?
C67 C57 S2 111.2(12) . . ?
C67 C57 H57 124.4 . . ?
C45 C58 H58 120.2 . . ?
C64 C58 C45 119.6(14) . . ?
C64 C58 H58 120.2 . . ?
C51 C59 H59 125.4 . . ?
C67 C59 C51 109.3(13) . . ?
C67 C59 H59 125.4 . . ?
C48 C60 H60 119.3 . . ?
C48 C60 C66 121.5(14) . . ?
C66 C60 H60 119.3 . . ?
C56 C61 H61 121.4 . . ?
C69 C61 C56 117.2(14) . . ?
C69 C61 H61 121.4 . . ?
F7 C62 F8 111.0(14) . . ?
F7 C62 F9 111.6(10) . . ?
F7 C62 C43 116.4(11) . . ?
F7A C62 C43 104.8(10) . . ?
F8 C62 F9 103.2(13) . . ?
F8 C62 C43 109.4(12) . . ?
F8A C62 F7A 106.7(14) . . ?
F8A C62 F9A 106.2(14) . . ?
F8A C62 C43 116.8(12) . . ?
F9 C62 C43 104.2(11) . . ?
F9A C62 F7A 109.4(10) . . ?
F9A C62 C43 112.6(12) . . ?
C46 C63 H63 119.8 . . ?
C68 C63 C46 120.4(14) . . ?
C68 C63 H63 119.8 . . ?
C58 C64 H64 119.9 . . ?
C58 C64 C68 120.3(13) . . ?
C68 C64 H64 119.9 . . ?
S3 C65 H65 124.8 . . ?
C49 C65 S3 110.4(14) . . ?
C49 C65 H65 124.8 . . ?
C60 C66 H66 120.7 . . ?
C69 C66 C60 118.6(14) . . ?
C69 C66 H66 120.7 . . ?
C57 C67 C59 116.1(15) . . ?
C57 C67 H67 121.9 . . ?
C59 C67 H67 121.9 . . ?
C63 C68 C64 119.8(13) . . ?
C63 C68 H68 120.1 . . ?
C64 C68 H68 120.1 . . ?
C61 C69 H69 118.5 . . ?
C66 C69 C61 122.9(14) . . ?
C66 C69 H69 118.5 . . ?
F10 C70 C37A 99(2) . . ?
F10A C70 F11A 104(2) . . ?
F10A C70 F12A 95.1(17) . . ?
F10A C70 C37 124.6(19) . . ?
F11 C70 F10 98.3(18) . . ?
F11 C70 F12 119.4(19) . . ?
F11 C70 C37A 95(4) . . ?
F11A C70 F12A 101.1(17) . . ?
F11A C70 C37 114.3(16) . . ?
F12 C70 F10 97.2(17) . . ?
F12 C70 C37A 139(3) . . ?
F12A C70 C37 113.8(16) . . ?

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
Cu1 S1 C44 S3 -79.0(11) . . . . ?
Cu1 S1 C44 C41 111.8(15) . . . . ?
Cu1 P1 C31 C31A 163(2) . . . . ?
Cu1 P1 C31 C33A -16(2) . . . . ?
Cu1 P1 C40 C47 -63.3(7) . . . . ?
Cu1A S1 C44 S3 -94.2(10) . . . . ?
Cu1A S1 C44 C41 96.6(15) . . . . ?
Cu1A P1 C25 C26 -99.8(17) . . . . ?
Cu1A P1 C25 C30 73.8(14) . . . . ?
Cu1A P1 C31 C32 -154.8(12) . . . . ?
Cu1A P1 C31 C36 24.7(16) . . . . ?
Cu1A P1 C40 C47 -80.2(7) . . . . ?
Cu1A O1A C37A O3 -39(11) . . . . ?
Cu1A O1A C37A C70 165(6) . . . . ?
Cu2 S1 C44 S3 155.1(9) . . . . ?
Cu2 S1 C44 C41 -14.1(16) . . . . ?
Cu2 P2 C13 C14A -27(3) . . . . ?
Cu2 P2 C13 C18A 155(2) . . . . ?
Cu2 P2 C19 C24A -88.8(11) . . . . ?
Cu2 P2 C19 C20A 91.1(11) . . . . ?
Cu2 P2 C42 C50 69.5(8) . . . . ?
Cu2 O1 C37 O3 28(4) . . . . ?
Cu2 O1 C37 C70 -176.8(14) . . . . ?
Cu2A S1 C44 S3 139.5(9) . . . . ?
Cu2A S1 C44 C41 -29.7(17) . . . . ?
Cu2A P2 C13 C14 -149.6(16) . . . . ?
Cu2A P2 C13 C16 23.8(17) . . . . ?
Cu2A P2 C19 C20 -119(2) . . . . ?
Cu2A P2 C19 C24 68(2) . . . . ?
Cu2A P2 C42 C50 52.5(8) . . . . ?
Cu3 S4 C51 S2 -59.3(10) . . . . ?
Cu3 S4 C51 C59 115.8(14) . . . . ?
Cu3 P4 C46 C45 11.4(13) . . . . ?
Cu3 P4 C46 C63 -172.7(10) . . . . ?
Cu3 P4 C48 C56 -73.0(13) . . . . ?
Cu3 P4 C48 C60 105.3(14) . . . . ?
Cu3 P4 C52 C47 -32.0(10) . . . . ?
Cu5 S4 C51 S2 85.2(9) . . . . ?
Cu5 S4 C51 C59 -99.7(15) . . . . ?
Cu5 P3 C1 C2 116.4(13) . . . . ?
Cu5 P3 C1 C6 -62.2(14) . . . . ?
Cu5 P3 C1A C2A 57(3) . . . . ?
Cu5 P3 C1A C6A -112(2) . . . . ?
Cu5 P3 C7 C8 166.7(16) . . . . ?
Cu5 P3 C7 C12 -17(3) . . . . ?
Cu5 P3 C7A C8A -176(4) . . . . ?
Cu5 P3 C7A C12A 10(7) . . . . ?
Cu5 P3 C54 C50 38.7(10) . . . . ?
Cu6 O3 C37 O1 -31(4) . . . . ?
Cu6 O3 C37 C70 174.4(15) . . . . ?
Cu6 O3 C37A O1A 45(10) . . . . ?
Cu6 O3 C37A C70 -155(4) . . . . ?
Cu7 S1 C44 S3 72.7(11) . . . . ?
Cu7 S1 C44 C41 -96.5(15) . . . . ?
Cu7 O4 C39 O7 -16.3(16) . . . . ?
Cu7 O4 C39 C55 164.8(7) . . . . ?
Cu9 O2 C38 O5 5.7(15) . . . . ?
Cu9 O2 C38 C53 -173.9(6) . . . . ?
Cu10 O5 C38 O2 6.8(15) . . . . ?
Cu10 O5 C38 C53 -173.7(6) . . . . ?
Cu12 S4 C51 S2 -130.9(8) 5_666 . . . ?
Cu12 S4 C51 C59 44.2(16) 5_666 . . . ?
Cu12 O7 C39 O4 16.2(16) . . . . ?
Cu12 O7 C39 C55 -164.9(7) . . . . ?
Cu13 S1 C44 S3 -4.3(13) . . . . ?
Cu13 S1 C44 C41 -173.5(13) . . . . ?
Cu13 O8 C43 O6 9.7(19) . . . . ?
Cu13 O8 C43 C62 -171.2(8) . . . . ?
Cu14 S4 C51 S2 158.0(7) 5_666 . . . ?
Cu14 S4 C51 C59 -26.9(17) 5_666 . . . ?
Cu14 O6 C43 O8 -8.7(19) . . . . ?
Cu14 O6 C43 C62 172.2(8) . . . . ?
S2 C51 C59 C67 -6.2(18) . . . . ?
S2 C57 C67 C59 5(2) . . . . ?
S4 C51 C59 C67 178.4(13) . . . . ?
P1 C25 C26 C27 -176(2) . . . . ?
P1 C25 C30 C29 178.4(18) . . . . ?
P1 C25A C26A C27A -175(7) . . . . ?
P1 C25A C30A C29A -172(6) . . . . ?
P1 C31 C31A C32A 174(3) . . . . ?
P1 C31 C32 C33 179.0(15) . . . . ?
P1 C31 C33A C18 -178(3) . . . . ?
P1 C31 C36 C35 174.9(16) . . . . ?
P1 C40 C47 C52 159.0(8) . . . . ?
P2 C13 C14 C15 -168.4(18) . . . . ?
P2 C13 C14A C15A -165(3) . . . . ?
P2 C13 C16 C17 -177.7(17) . . . . ?
P2 C13 C18A C17A -177(3) . . . . ?
P2 C19 C20A C21A -180.0(11) . . . . ?
P2 C19 C24 C23 -179(3) . . . . ?
P2 C42 C50 C54 -155.2(8) . . . . ?
P3 C1 C2 C3 -178.6(16) . . . . ?
P3 C1 C6 C5 178.0(15) . . . . ?
P3 C1A C2A C3A -168(4) . . . . ?
P3 C1A C6A C5A 169(3) . . . . ?
P3 C7 C8 C9 175.2(16) . . . . ?
P3 C7 C12 C11 -177.2(16) . . . . ?
P3 C7A C8A C9A -165(4) . . . . ?
P3 C7A C12A C11A 178(4) . . . . ?
P4 C46 C63 C68 -176.6(11) . . . . ?
P4 C48 C56 C61 178.2(12) . . . . ?
P4 C48 C60 C66 -174.8(12) . . . . ?
O1 C37 C70 F10A 123(3) . . . . ?
O1 C37 C70 F11A -6(3) . . . . ?
O1 C37 C70 F12A -121(2) . . . . ?
O1A C37A C70 F10 -43(10) . . . . ?
O1A C37A C70 F11 56(10) . . . . ?
O1A C37A C70 F12 -155(7) . . . . ?
O2 C38 C53 F1 -53.6(14) . . . . ?
O2 C38 C53 F1A -82.1(16) . . . . ?
O2 C38 C53 F1B -135.6(13) . . . . ?
O2 C38 C53 F2 64.4(13) . . . . ?
O2 C38 C53 F2A 33.5(15) . . . . ?
O2 C38 C53 F2B -17.6(19) . . . . ?
O2 C38 C53 F3 -173.0(12) . . . . ?
O2 C38 C53 F3A 139.2(16) . . . . ?
O2 C38 C53 F3B 107.4(16) . . . . ?
O3 C37 C70 F10A -81(3) . . . . ?
O3 C37 C70 F11A 150(3) . . . . ?
O3 C37 C70 F12A 34(3) . . . . ?
O3 C37A C70 F10 163(7) . . . . ?
O3 C37A C70 F11 -98(7) . . . . ?
O3 C37A C70 F12 51(10) . . . . ?
O4 C39 C55 F4 53.6(15) . . . . ?
O4 C39 C55 F4A 84.8(12) . . . . ?
O4 C39 C55 F5 168.7(14) . . . . ?
O4 C39 C55 F5A -157.0(11) . . . . ?
O4 C39 C55 F6 -61.4(14) . . . . ?
O4 C39 C55 F6A -33.6(15) . . . . ?
O5 C38 C53 F1 126.7(13) . . . . ?
O5 C38 C53 F1A 98.2(15) . . . . ?
O5 C38 C53 F1B 44.8(15) . . . . ?
O5 C38 C53 F2 -115.3(12) . . . . ?
O5 C38 C53 F2A -146.1(13) . . . . ?
O5 C38 C53 F2B 162.7(16) . . . . ?
O5 C38 C53 F3 7.4(15) . . . . ?
O5 C38 C53 F3A -40.4(19) . . . . ?
O5 C38 C53 F3B -72.2(18) . . . . ?
O6 C43 C62 F7 -166.5(13) . . . . ?
O6 C43 C62 F7A -124.1(13) . . . . ?
O6 C43 C62 F8 -39.7(17) . . . . ?
O6 C43 C62 F8A -6.2(19) . . . . ?
O6 C43 C62 F9 70.1(14) . . . . ?
O6 C43 C62 F9A 117.1(13) . . . . ?
O7 C39 C55 F4 -125.4(13) . . . . ?
O7 C39 C55 F4A -94.3(12) . . . . ?
O7 C39 C55 F5 -10.3(17) . . . . ?
O7 C39 C55 F5A 23.9(14) . . . . ?
O7 C39 C55 F6 119.5(13) . . . . ?
O7 C39 C55 F6A 147.4(12) . . . . ?
O8 C43 C62 F7 14.2(18) . . . . ?
O8 C43 C62 F7A 56.7(15) . . . . ?
O8 C43 C62 F8 141.0(14) . . . . ?
O8 C43 C62 F8A 174.6(14) . . . . ?
O8 C43 C62 F9 -109.2(13) . . . . ?
O8 C43 C62 F9A -62.1(16) . . . . ?
C1 P3 C7 C8 46(2) . . . . ?
C1 P3 C7 C12 -137(2) . . . . ?
C1 P3 C54 C50 164.1(9) . . . . ?
C1 C2 C3 C4 0(3) . . . . ?
C1A P3 C7A C8A 38(7) . . . . ?
C1A P3 C7A C12A -136(5) . . . . ?
C1A P3 C54 C50 156.7(16) . . . . ?
C1A C2A C3A C4A 0.0 . . . . ?
C2A C1A C6A C5A 0.0 . . . . ?
C2A C3A C4A C5A 0.0 . . . . ?
C3A C4A C5A C6A 0.0 . . . . ?
C4A C5A C6A C1A 0.0 . . . . ?
C6A C1A C2A C3A 0.0 . . . . ?
C2 C1 C6 C5 -1(3) . . . . ?
C2 C3 C4 C5 0(3) . . . . ?
C3 C4 C5 C6 -1(3) . . . . ?
C4 C5 C6 C1 1(3) . . . . ?
C6 C1 C2 C3 0(3) . . . . ?
C7 P3 C1 C2 -122.5(15) . . . . ?
C7 P3 C1 C6 58.8(15) . . . . ?
C7 P3 C54 C50 -87.5(13) . . . . ?
C7 C8 C9 C10 3(3) . . . . ?
C7A P3 C1A C2A -155(3) . . . . ?
C7A P3 C1A C6A 36(3) . . . . ?
C7A P3 C54 C50 -93(2) . . . . ?
C7A C8A C9A C10A -12(8) . . . . ?
C8 C7 C12 C11 -1(4) . . . . ?
C8 C9 C10 C11 -4(3) . . . . ?
C8A C7A C12A C11A 4(9) . . . . ?
C8A C9A C10A C11A 4(7) . . . . ?
C9 C10 C11 C12 1(3) . . . . ?
C9A C10A C11A C12A 8(7) . . . . ?
C10 C11 C12 C7 1(3) . . . . ?
C10A C11A C12A C7A -12(8) . . . . ?
C12 C7 C8 C9 -1(3) . . . . ?
C12A C7A C8A C9A 8(9) . . . . ?
C13 P2 C19 C20 6(2) . . . . ?
C13 P2 C19 C24A 46.5(12) . . . . ?
C13 P2 C19 C20A -133.5(11) . . . . ?
C13 P2 C19 C24 -166.8(19) . . . . ?
C13 P2 C42 C50 -65.0(9) . . . . ?
C13 C14 C15 C16A -25(4) . . . . ?
C13 C14A C15A C16A -27(6) . . . . ?
C13 C16 C17 C16A -4(4) . . . . ?
C14 C13 C16 C17 -4(3) . . . . ?
C14 C15 C16A C17 16(3) . . . . ?
C14A C13 C18A C17A 4(5) . . . . ?
C14A C15A C16A C17A 25(4) . . . . ?
C15 C16A C17 C16 -3(3) . . . . ?
C15A C16A C17A C18A -13(5) . . . . ?
C16 C13 C14 C15 18(3) . . . . ?
C16A C17A C18A C13 -4(6) . . . . ?
C18A C13 C14A C15A 14(5) . . . . ?
C20 C21 C22 C23 9(6) . . . . ?
C20 C19 C24 C23 8(5) . . . . ?
C21 C20 C19 P2 -178(3) . . . . ?
C21 C20 C19 C24 -6(5) . . . . ?
C21 C22 C23 C24 -6(5) . . . . ?
C21A C22 C23A C24A 0.0 . . . . ?
C22 C21A C20A C19 0.0 . . . . ?
C22 C23A C24A C19 0.0 . . . . ?
C22 C23 C24 C19 -3(5) . . . . ?
C23A C24A C19 P2 180.0(11) . . . . ?
C23A C24A C19 C20A 0.0 . . . . ?
C24A C19 C20A C21A 0.0 . . . . ?
C19 P2 C13 C14 75.5(18) . . . . ?
C19 P2 C13 C14A -154(2) . . . . ?
C19 P2 C13 C16 -111.0(16) . . . . ?
C19 P2 C13 C18A 27(2) . . . . ?
C19 P2 C42 C50 -171.9(8) . . . . ?
C19 C20 C21 C22 -4(6) . . . . ?
C20A C21A C22 C23A 0.0 . . . . ?
C25 P1 C31 C32 -36.4(15) . . . . ?
C25 P1 C31 C36 143.1(14) . . . . ?
C25 P1 C40 C47 169.3(8) . . . . ?
C25 C26 C27 C28 -8(5) . . . . ?
C25A P1 C31 C31A -56(4) . . . . ?
C25A P1 C31 C33A 124(4) . . . . ?
C25A P1 C40 C47 172(2) . . . . ?
C25A C26A C27A C28A -14(14) . . . . ?
C26 C25 C30 C29 -8(3) . . . . ?
C26 C27 C28 C29 3(5) . . . . ?
C26A C25A C30A C29A 3(15) . . . . ?
C26A C27A C28A C29A 4(16) . . . . ?
C27 C28 C29 C30 1(4) . . . . ?
C27A C28A C29A C30A 11(17) . . . . ?
C28 C29 C30 C25 2(4) . . . . ?
C28A C29A C30A C25A -14(13) . . . . ?
C30 C25 C26 C27 10(3) . . . . ?
C30A C25A C26A C27A 11(16) . . . . ?
C31 P1 C25 C26 123.3(17) . . . . ?
C31 P1 C25 C30 -63.1(15) . . . . ?
C31 P1 C40 C47 62.0(8) . . . . ?
C31 C31A C32A C34 14(6) . . . . ?
C31 C32 C33 C34 4(3) . . . . ?
C31A C31 C33A C18 3(5) . . . . ?
C31A C32A C34 C18 -17(5) . . . . ?
C32 C31 C36 C35 -6(3) . . . . ?
C32 C33 C34 C35 -1(3) . . . . ?
C33 C34 C35 C36 -5(3) . . . . ?
C33A C18 C34 C32A 14(5) . . . . ?
C33A C31 C31A C32A -7(5) . . . . ?
C34 C18 C33A C31 -6(6) . . . . ?
C34 C35 C36 C31 9(3) . . . . ?
C36 C31 C32 C33 0(3) . . . . ?
C40 P1 C25 C26 14.6(18) . . . . ?
C40 P1 C25 C30 -171.8(13) . . . . ?
C40 P1 C31 C31A 44(2) . . . . ?
C40 P1 C31 C32 75.3(14) . . . . ?
C40 P1 C31 C33A -136(2) . . . . ?
C40 P1 C31 C36 -105.2(14) . . . . ?
C40 C47 C52 P4 -68.2(11) . . . . ?
C41 C49 C65 S3 2(3) . . . . ?
C42 P2 C13 C14 -32.5(18) . . . . ?
C42 P2 C13 C14A 98(2) . . . . ?
C42 P2 C13 C16 141.0(15) . . . . ?
C42 P2 C13 C18A -81(2) . . . . ?
C42 P2 C19 C20 115(2) . . . . ?
C42 P2 C19 C24A 155.0(11) . . . . ?
C42 P2 C19 C20A -25.0(12) . . . . ?
C42 P2 C19 C24 -58(2) . . . . ?
C42 C50 C54 P3 67.1(12) . . . . ?
C44 S3 C65 C49 6.1(17) . . . . ?
C44 C41 C49 C65 -10(3) . . . . ?
C45 C46 C63 C68 -1(2) . . . . ?
C45 C58 C64 C68 -4(2) . . . . ?
C46 P4 C48 C56 159.4(12) . . . . ?
C46 P4 C48 C60 -22.3(16) . . . . ?
C46 P4 C52 C47 97.1(9) . . . . ?
C46 C45 C58 C64 3(2) . . . . ?
C46 C63 C68 C64 0(2) . . . . ?
C48 P4 C46 C45 135.3(12) . . . . ?
C48 P4 C46 C63 -48.8(13) . . . . ?
C48 P4 C52 C47 -152.7(9) . . . . ?
C48 C56 C61 C69 1(2) . . . . ?
C48 C60 C66 C69 -7(3) . . . . ?
C49 C41 C44 S1 -176.1(14) . . . . ?
C49 C41 C44 S3 14.2(19) . . . . ?
C51 S2 C57 C67 -7.1(16) . . . . ?
C51 C59 C67 C57 1(2) . . . . ?
C52 P4 C46 C45 -116.7(11) . . . . ?
C52 P4 C46 C63 59.2(12) . . . . ?
C52 P4 C48 C56 50.7(13) . . . . ?
C52 P4 C48 C60 -131.0(14) . . . . ?
C54 P3 C1 C2 -9.7(15) . . . . ?
C54 P3 C1 C6 171.7(13) . . . . ?
C54 P3 C1A C2A -58(2) . . . . ?
C54 P3 C1A C6A 134(2) . . . . ?
C54 P3 C7 C8 -67(2) . . . . ?
C54 P3 C7 C12 109(2) . . . . ?
C54 P3 C7A C8A -51(6) . . . . ?
C54 P3 C7A C12A 135(5) . . . . ?
C56 C48 C60 C66 4(3) . . . . ?
C56 C61 C69 C66 -5(3) . . . . ?
C57 S2 C51 S4 -176.5(11) . . . . ?
C57 S2 C51 C59 7.6(14) . . . . ?
C58 C45 C46 P4 175.3(10) . . . . ?
C58 C45 C46 C63 -1(2) . . . . ?
C58 C64 C68 C63 3(2) . . . . ?
C60 C48 C56 C61 0(2) . . . . ?
C60 C66 C69 C61 8(3) . . . . ?
C65 S3 C44 S1 176.9(12) . . . . ?
C65 S3 C44 C41 -12.7(15) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.000 295.5 64.9 ?
2 0.000 0.500 0.500 295.5 64.9 ?
3 0.500 0.500 0.000 295.5 64.9 ?
4 0.500 1.000 0.500 295.5 64.9 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_original_sample_id gql3
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
