# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_banhu13_1_pl_sq
_database_code_depnum_ccdc_archive 'CCDC 1854851'
_audit_update_record             
;
2018-07-10 deposited with the CCDC.
2018-10-29 downloaded from the CCDC.
;

#===============================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic        
;
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'2(C32 H12 B F24), 2(C30 H45 Cu2 Zn3), 4(C10 H15 Zn), C6 H5 F'
# Ex: 'C12 H16 N2 O6, H2 O' and '(Cd 2+)3, (C6 N6 Cr 3-)2, 2(H2 O)'
_chemical_formula_structural     ?
_chemical_formula_sum            'C170 H179 B2 Cu4 F49 Zn10'
_chemical_formula_iupac          ?
_chemical_formula_weight         4082.85
_chemical_compound_source        'see text'

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'
B B 0.0013 0.0007 ' 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'
F F 0.0171 0.0103 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

#===============================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C c'
_symmetry_Int_Tables_number      9

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,1/2+z
3 1/2+x,1/2+y,z
4 1/2+x,1/2-y,1/2+z

_cell_length_a                   23.729(3)
_cell_length_b                   22.495(3)
_cell_length_c                   36.442(5)
_cell_angle_alpha                90
_cell_angle_beta                 90.573(4)
_cell_angle_gamma                90
_cell_volume                     19451(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100
_cell_measurement_reflns_used    9372
_cell_measurement_theta_min      2.4679
_cell_measurement_theta_max      24.8938

_exptl_crystal_description       block
_exptl_crystal_colour            'clear red'

_exptl_crystal_size_max          0.206
_exptl_crystal_size_mid          0.111
_exptl_crystal_size_min          0.051
_exptl_crystal_size_rad          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.394
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             8264
_exptl_absorpt_coefficient_mu    1.726
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5, Bruker, 2014'
_exptl_absorpt_correction_T_min  0.6702
_exptl_absorpt_correction_T_max  0.7453

#===============================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           
;
Diffractometer operator            H. Banh
scanspeed                           60 s per frame
dx                                  70 mm
1306 frames measured in 5 data sets
omega-scans with delta_omega     = 0.5
;
_diffrn_ambient_temperature      100
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'IMS microsource'
_diffrn_radiation_monochromator  'HELIOS optic'

_diffrn_measurement_device       ' κ-geometry diffractometer '
_diffrn_measurement_device_type  ' Bruker Photon CMOS '
_diffrn_measurement_method       ' phi- and omega-rotation '
_diffrn_detector                 ' CMOS plate '
_diffrn_detector_area_resol_mean 16

# number of measured reflections (redundant set)
_diffrn_reflns_number            104015
_diffrn_reflns_av_R_equivalents  0.0665
_diffrn_reflns_av_unetI/netI     0.0946
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_theta_min         2.24
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_full        25.03
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_reduction_process 
;
;

# number of unique reflections
_reflns_number_total             32525
# number of observed reflections (> n sig(I))
_reflns_number_gt                21607
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'APEX III Control Software (Bruker, 2015)'
_computing_cell_refinement       'SAINT (Bruker, 2015)'
_computing_data_reduction        'SAINT (Bruker, 2015)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement  
'SHELXL2014 (Sheldrick, 2014), SHELXLE (Huebschle, 2011)'
_computing_molecular_graphics    'PLATON (Spek, 2011)'
_computing_publication_material  'PLATON (Spek, 2011), enCIFer (Allen, 2014)'

#===============================================================================

# 8. REFINEMENT DATA

_refine_special_details          
;Refinement on F² for ALL reflections except those
 flagged by the user for potential systematic errors.
 Weighted R-factors wR and all goodnesses of fit S
 are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The
 observed criterion of F² > 2sigma(F²) is used only
 for calculating -R-factor-obs etc. and is not
 relevant to the choice of reflections for refinement.
 R-factors based on F² are statistically about twice
 as large as those based on F, and R-factors based on
 ALL data will be even larger.,SQUEEZE
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'W=1/[Σ²(FO²)+(0.0869P)²+40.1951P] WHERE P=(FO²+2FC²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom


_refine_ls_hydrogen_treatment    constr

_refine_ls_extinction_method     none
_refine_ls_abs_structure_details 'Flack (1983)'
_refine_ls_abs_structure_Flack   0.174(15)

_chemical_absolute_configuration unk

_refine_ls_number_reflns         32525
_refine_ls_number_parameters     2455
_refine_ls_number_restraints     1364
_refine_ls_number_constraints    ?
_refine_ls_R_factor_all          0.1143
_refine_ls_R_factor_gt           0.0663
_refine_ls_wR_factor_ref         0.1685
_refine_ls_wR_factor_gt          0.1475
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.736
_refine_diff_density_min         -0.595
_refine_diff_density_rms         0.099

#===============================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn2 Zn Uani 0.4863(3) 0.6191(3) 0.62441(13) 0.566(3) 0.0386(14) d P A 1
Zn3 Zn Uani 0.46568(10) 0.51633(10) 0.58587(7) 0.566(3) 0.0220(9) d P A 1
Zn4 Zn Uani 0.3789(3) 0.4680(3) 0.62213(14) 0.566(3) 0.0525(18) d P A 1
Cu1 Cu Uani 0.46268(9) 0.51905(9) 0.65166(6) 0.566(3) 0.0144(8) d P A 1
Cu2 Cu Uani 0.39502(9) 0.57484(9) 0.61553(6) 0.566(3) 0.0145(8) d P A 1
Zn7 Zn Uani 0.97006(8) 0.40225(8) 0.83575(7) 1.000 0.0782(9) d . . .
Zn8 Zn Uani 0.88463(7) 0.45318(7) 0.86254(4) 1.000 0.0386(5) d . . .
Zn9 Zn Uani 0.86156(8) 0.55172(8) 0.83230(7) 1.000 0.0753(8) d . . .
Cu3 Cu Uani 0.95813(6) 0.51190(7) 0.83637(4) 1.000 0.0319(5) d . . .
Cu4 Cu Uani 0.89392(6) 0.45687(6) 0.79737(4) 1.000 0.0290(5) d . . .
Zn2A Zn Uani 0.4902(4) 0.6142(4) 0.60893(15) 0.434(3) 0.0385(17) d UP A 2
Zn3A Zn Uani 0.46616(13) 0.51092(13) 0.61762(9) 0.434(3) 0.0249(13) d UP A 2
Zn4A Zn Uani 0.3725(3) 0.4736(3) 0.60630(14) 0.434(3) 0.0338(16) d UP A 2
Cu1A Cu Uani 0.39854(12) 0.56885(13) 0.64962(9) 0.434(3) 0.0218(10) d UP A 2
Cu2A Cu Uani 0.40212(14) 0.57235(14) 0.58349(9) 0.434(3) 0.0277(11) d UP A 2
Zn10 Zn Uani 0.79922(6) 0.62990(6) 0.82858(4) 1.000 0.0336(5) d . . .
Zn6 Zn Uani 1.02951(6) 0.32154(7) 0.83741(4) 1.000 0.0391(5) d . . .
Zn1 Zn Uani 0.54801(6) 0.69717(6) 0.61835(4) 1.000 0.0351(5) d . . .
Zn5 Zn Uani 0.31569(7) 0.39020(7) 0.61369(5) 1.000 0.0478(6) d . . .
F1 F Uani 0.7031(4) 0.8754(4) 0.9580(3) 1.000 0.070(3) d D . .
F2 F Uani 0.6981(3) 0.9475(4) 0.9193(2) 1.000 0.056(3) d D . .
F3 F Uani 0.7361(4) 0.9594(4) 0.9721(2) 1.000 0.070(3) d D . .
F4 F Uani 0.9515(5) 0.7982(4) 0.9526(3) 1.000 0.092(3) d U . .
F5 F Uani 0.9011(5) 0.7465(4) 0.9195(3) 1.000 0.087(3) d U . .
F6 F Uani 0.8755(5) 0.7644(5) 0.9721(3) 1.000 0.103(4) d U . .
F7 F Uani 1.0701(5) 1.1061(4) 0.9725(3) 1.000 0.107(5) d . . .
F8 F Uani 1.0933(4) 1.0662(6) 0.9229(3) 1.000 0.108(5) d . . .
F9 F Uani 1.0688(4) 1.0126(4) 0.9667(2) 1.000 0.062(3) d . . .
F10 F Uani 0.8828(5) 1.1652(6) 0.9883(4) 1.000 0.134(5) d DU . .
F11 F Uani 0.8155(4) 1.1236(5) 0.9591(3) 1.000 0.081(3) d DU . .
F12 F Uani 0.8650(7) 1.1975(6) 0.9382(5) 1.000 0.157(6) d DU . .
F13 F Uani 0.8785(4) 1.1761(4) 0.7849(3) 1.000 0.080(3) d U . .
F14 F Uani 0.8007(4) 1.1736(4) 0.7591(3) 1.000 0.085(3) d U . .
F15 F Uani 0.8062(5) 1.1927(4) 0.8150(3) 1.000 0.097(4) d U . .
F16 F Uani 0.7568(4) 0.9054(4) 0.7662(3) 1.000 0.086(4) d . . .
F17 F Uani 0.6929(5) 0.9481(5) 0.7958(4) 1.000 0.106(6) d . . .
F18 F Uani 0.7148(6) 0.9819(5) 0.7442(3) 1.000 0.123(5) d . . .
F19 F Uani 1.0729(3) 1.0538(3) 0.7907(2) 1.000 0.051(3) d . . .
F20 F Uani 1.1254(3) 0.9859(3) 0.8148(2) 1.000 0.050(3) d . . .
F21 F Uani 1.1025(3) 0.9811(4) 0.7585(2) 1.000 0.063(3) d . . .
F22 F Uani 1.0113(4) 0.7910(4) 0.7628(3) 1.000 0.092(4) d . . .
F23 F Uani 0.9600(5) 0.7707(4) 0.8070(3) 1.000 0.102(5) d . . .
F24 F Uani 0.9236(4) 0.8079(5) 0.7608(3) 1.000 0.103(5) d . . .
F25 F Uani 1.1420(4) 0.4430(4) 0.5011(3) 1.000 0.075(4) d . . .
F26 F Uani 1.1076(4) 0.5236(5) 0.4805(2) 1.000 0.073(4) d . . .
F27 F Uani 1.1391(4) 0.5166(4) 0.5353(2) 1.000 0.068(4) d . . .
F28 F Uani 0.9763(4) 0.3241(4) 0.4780(3) 1.000 0.079(3) d U . .
F29 F Uani 0.9303(5) 0.3161(4) 0.5265(2) 1.000 0.075(3) d U . .
F30 F Uani 0.8979(4) 0.3672(4) 0.4829(3) 1.000 0.077(3) d U . .
F31 F Uani 0.7248(4) 0.5365(4) 0.6852(3) 1.000 0.065(3) d . . .
F32 F Uani 0.7065(3) 0.5551(4) 0.6282(2) 1.000 0.054(3) d . . .
F33 F Uani 0.7639(3) 0.6107(4) 0.6591(3) 1.000 0.064(3) d . . .
F34 F Uani 0.8971(3) 0.3391(3) 0.6572(3) 1.000 0.063(3) d . . .
F35 F Uani 0.8177(4) 0.3467(4) 0.6817(2) 1.000 0.059(3) d . . .
F36 F Uani 0.8213(4) 0.3254(3) 0.6257(2) 1.000 0.073(4) d . . .
F37 F Uani 0.9705(4) 0.7372(3) 0.6562(2) 1.000 0.059(3) d . . .
F38 F Uani 0.9416(4) 0.6918(4) 0.7037(2) 1.000 0.069(4) d . . .
F39 F Uani 1.0276(4) 0.7195(4) 0.7000(3) 1.000 0.083(4) d . . .
F40 F Uani 1.0929(4) 0.4613(4) 0.6809(3) 1.000 0.082(4) d . . .
F41 F Uani 1.1455(3) 0.5150(4) 0.6478(2) 1.000 0.057(3) d . . .
F42 F Uani 1.1317(4) 0.5407(5) 0.7023(3) 1.000 0.087(4) d . . .
F43 F Uani 0.7874(4) 0.6733(4) 0.4694(3) 1.000 0.089(4) d . . .
F44 F Uani 0.7805(4) 0.5830(4) 0.4798(2) 1.000 0.066(3) d . . .
F45 F Uani 0.7533(4) 0.6459(6) 0.5193(3) 1.000 0.091(5) d . . .
F46 F Uani 0.9984(6) 0.7571(6) 0.5374(4) 1.000 0.132(5) d U . .
F47 F Uani 1.0332(5) 0.6961(6) 0.5042(4) 1.000 0.113(4) d U . .
F48 F Uani 0.9761(4) 0.7543(4) 0.4832(3) 1.000 0.073(3) d U . .
C101 C Uani 0.8673(4) 0.9308(4) 0.8907(3) 1.000 0.018(3) d . . .
C102 C Uani 0.8128(5) 0.9419(5) 0.9036(3) 1.000 0.027(4) d . . .
C103 C Uani 0.7869(5) 0.9051(5) 0.9300(3) 1.000 0.029(4) d . . .
C104 C Uani 0.8146(5) 0.8557(5) 0.9430(3) 1.000 0.028(4) d . . .
C105 C Uani 0.8675(6) 0.8438(5) 0.9311(3) 1.000 0.030(4) d . . .
C106 C Uani 0.8949(5) 0.8809(5) 0.9044(3) 1.000 0.026(4) d . . .
C107 C Uani 0.7323(5) 0.9224(6) 0.9451(3) 1.000 0.039(5) d D . .
C108 C Uani 0.8991(8) 0.7897(7) 0.9430(5) 1.000 0.069(3) d U . .
C109 C Uani 0.9250(5) 1.0278(5) 0.8944(3) 1.000 0.025(4) d . . .
C110 C Uani 0.9792(5) 1.0263(5) 0.9086(3) 1.000 0.026(4) d . . .
C111 C Uani 0.9972(6) 1.0657(6) 0.9362(3) 1.000 0.037(5) d . . .
C112 C Uani 0.9613(7) 1.1076(7) 0.9499(4) 1.000 0.051(6) d . . .
C113 C Uani 0.9072(7) 1.1092(7) 0.9380(4) 1.000 0.052(5) d . . .
C114 C Uani 0.8888(5) 1.0692(5) 0.9100(3) 1.000 0.031(4) d . . .
C115 C Uani 1.0566(7) 1.0629(7) 0.9494(4) 1.000 0.053(6) d . . .
C116 C Uani 0.8664(8) 1.1490(8) 0.9535(6) 1.000 0.095(4) d DU . .
C117 C Uani 0.8558(5) 1.0097(5) 0.8361(3) 1.000 0.021(3) d . . .
C118 C Uani 0.8591(5) 1.0709(5) 0.8255(3) 1.000 0.028(4) d . . .
C119 C Uani 0.8222(6) 1.0931(6) 0.7993(3) 1.000 0.037(5) d . . .
C120 C Uani 0.7826(5) 1.0603(6) 0.7823(3) 1.000 0.038(5) d . . .
C121 C Uani 0.7781(5) 1.0000(6) 0.7917(3) 1.000 0.038(4) d . . .
C122 C Uani 0.8141(5) 0.9764(5) 0.8187(3) 1.000 0.026(4) d . . .
C123 C Uani 0.8265(9) 1.1574(7) 0.7903(5) 1.000 0.070(3) d U . .
C124 C Uani 0.7369(7) 0.9616(8) 0.7749(5) 1.000 0.062(7) d . . .
C125 C Uani 0.9477(5) 0.9496(5) 0.8387(3) 1.000 0.021(4) d . . .
C126 C Uani 0.9413(5) 0.8942(5) 0.8228(3) 1.000 0.024(4) d . . .
C127 C Uani 0.9772(6) 0.8716(5) 0.7970(3) 1.000 0.037(4) d . . .
C128 C Uani 1.0248(5) 0.9031(5) 0.7858(3) 1.000 0.027(4) d . . .
C129 C Uani 1.0317(4) 0.9599(5) 0.8009(3) 1.000 0.023(4) d . . .
C130 C Uani 0.9931(5) 0.9816(5) 0.8263(3) 1.000 0.022(4) d . . .
C131 C Uani 0.9681(7) 0.8097(7) 0.7822(4) 1.000 0.056(6) d . . .
C132 C Uani 1.0828(5) 0.9951(6) 0.7905(4) 1.000 0.036(5) d . . .
B1 B Uani 0.8999(5) 0.9791(5) 0.8645(4) 1.000 0.020(4) d . . .
C133 C Uani 0.9686(5) 0.4921(5) 0.5587(3) 1.000 0.026(2) d U . .
C134 C Uani 0.9441(5) 0.4431(5) 0.5413(3) 1.000 0.026(2) d U . .
C135 C Uani 0.9730(5) 0.4078(5) 0.5160(3) 1.000 0.027(3) d U . .
C136 C Uani 1.0258(5) 0.4208(5) 0.5067(3) 1.000 0.030(3) d U . .
C137 C Uani 1.0529(6) 0.4697(5) 0.5220(3) 1.000 0.030(3) d U . .
C138 C Uani 1.0227(5) 0.5040(5) 0.5472(3) 1.000 0.028(3) d U . .
C139 C Uani 0.9450(7) 0.3535(6) 0.5009(4) 1.000 0.053(3) d U . .
C140 C Uani 1.1110(6) 0.4877(6) 0.5097(4) 1.000 0.039(5) d . . .
C141 C Uani 0.8842(5) 0.5074(5) 0.6078(3) 1.000 0.025(4) d . . .
C142 C Uani 0.8380(5) 0.5399(6) 0.6201(3) 1.000 0.035(4) d . . .
C143 C Uani 0.7966(5) 0.5169(6) 0.6418(3) 1.000 0.032(4) d . . .
C144 C Uani 0.7983(5) 0.4574(5) 0.6526(3) 1.000 0.027(4) d . . .
C145 C Uani 0.8440(5) 0.4241(5) 0.6417(3) 1.000 0.025(4) d . . .
C146 C Uani 0.8849(5) 0.4470(5) 0.6199(3) 1.000 0.023(4) d . . .
C147 C Uani 0.7474(6) 0.5543(6) 0.6533(4) 1.000 0.048(5) d . . .
C148 C Uani 0.8445(6) 0.3587(6) 0.6514(4) 1.000 0.039(5) d . . .
C149 C Uani 0.9778(5) 0.5635(5) 0.6181(3) 1.000 0.032(4) d . . .
C150 C Uani 0.9688(5) 0.6186(5) 0.6348(3) 1.000 0.030(4) d . . .
C151 C Uani 0.9991(5) 0.6381(5) 0.6634(3) 1.000 0.033(4) d . . .
C152 C Uani 1.0457(5) 0.6057(5) 0.6763(3) 1.000 0.033(4) d . . .
C153 C Uani 1.0562(5) 0.5526(5) 0.6601(3) 1.000 0.033(4) d . . .
C154 C Uani 1.0225(5) 0.5307(5) 0.6329(3) 1.000 0.023(3) d . . .
C155 C Uani 0.9850(7) 0.6964(6) 0.6812(4) 1.000 0.045(5) d . . .
C156 C Uani 1.1062(6) 0.5158(6) 0.6725(4) 1.000 0.037(5) d . . .
C157 C Uani 0.9147(6) 0.5910(5) 0.5580(3) 1.000 0.029(4) d . . .
C158 C Uani 0.8636(5) 0.5916(5) 0.5394(3) 1.000 0.026(4) d . . .
C159 C Uani 0.8503(6) 0.6353(5) 0.5135(3) 1.000 0.033(4) d . . .
C160 C Uani 0.8891(6) 0.6782(5) 0.5041(3) 1.000 0.033(4) d . . .
C161 C Uani 0.9404(6) 0.6774(6) 0.5214(4) 1.000 0.037(4) d . . .
C162 C Uani 0.9534(6) 0.6346(6) 0.5481(3) 1.000 0.035(4) d . . .
C163 C Uani 0.7927(6) 0.6358(7) 0.4959(4) 1.000 0.045(5) d . . .
C164 C Uani 0.9823(9) 0.7217(10) 0.5113(6) 1.000 0.093(4) d U . .
B2 B Uani 0.9350(6) 0.5369(6) 0.5857(4) 1.000 0.030(5) d . . .
C10' C Uani 0.3958(8) 0.7181(8) 0.5868(6) 0.566(3) 0.026(3) d UP A 1
C71 C Uani 0.4725(5) 0.4410(6) 0.5456(3) 0.566(3) 0.044(3) d GUP A 1
C72 C Uani 0.4479(6) 0.4913(6) 0.5283(4) 0.566(3) 0.043(3) d GUP A 1
C73 C Uani 0.4871(7) 0.5387(7) 0.5306(4) 0.566(3) 0.043(3) d GUP A 1
C74 C Uani 0.5358(7) 0.5177(7) 0.5492(4) 0.566(3) 0.043(3) d GUP A 1
C75 C Uani 0.5267(6) 0.4574(7) 0.5585(4) 0.566(3) 0.044(3) d GUP A 1
C76 C Uani 0.4455(9) 0.3808(9) 0.5495(5) 0.566(3) 0.045(3) d GUP A 1
C77 C Uani 0.3912(10) 0.4895(12) 0.5094(6) 0.566(3) 0.044(3) d UP A 1
C78 C Uani 0.4812(11) 0.5963(12) 0.5098(6) 0.566(3) 0.044(3) d UP A 1
C79 C Uani 0.5907(10) 0.5536(12) 0.5511(7) 0.566(3) 0.045(3) d UP A 1
C80 C Uani 0.5693(10) 0.4134(11) 0.5748(6) 0.566(3) 0.044(3) d UP A 1
C81 C Uani 0.4893(12) 0.4424(13) 0.6848(7) 0.566(3) 0.028(2) d UP A 1
C82 C Uani 0.4469(9) 0.4748(9) 0.7045(6) 0.566(3) 0.027(2) d UP A 1
C83 C Uani 0.4692(9) 0.5330(9) 0.7115(6) 0.566(3) 0.027(2) d UP A 1
C84 C Uani 0.5239(9) 0.5363(9) 0.6953(6) 0.566(3) 0.027(2) d UP A 1
C85 C Uani 0.5363(8) 0.4778(9) 0.6795(6) 0.566(3) 0.028(2) d UP A 1
C86 C Uani 0.4857(8) 0.3759(9) 0.6758(6) 0.566(3) 0.028(3) d UP A 1
C87 C Uani 0.3952(9) 0.4522(10) 0.7202(6) 0.566(3) 0.027(3) d UP A 1
C88 C Uani 0.4444(9) 0.5758(12) 0.7360(7) 0.566(3) 0.028(3) d UP A 1
C89 C Uani 0.5669(8) 0.5865(9) 0.6991(6) 0.566(3) 0.028(3) d UP A 1
C90 C Uani 0.5935(8) 0.4621(9) 0.6658(6) 0.566(3) 0.028(3) d UP A 1
C91 C Uani 0.3335(8) 0.6228(9) 0.5808(6) 0.566(3) 0.026(2) d UP A 1
C92 C Uani 0.3059(8) 0.5845(9) 0.6049(6) 0.566(3) 0.026(2) d UP A 1
C93 C Uani 0.3181(8) 0.6047(8) 0.6426(6) 0.566(3) 0.026(2) d UP A 1
C94 C Uani 0.3555(8) 0.6516(8) 0.6416(6) 0.566(3) 0.026(2) d UP A 1
C95 C Uani 0.3656(8) 0.6645(8) 0.6025(6) 0.566(3) 0.026(2) d UP A 1
C96 C Uani 0.3242(9) 0.6271(9) 0.5413(6) 0.566(3) 0.027(2) d UP A 1
C97 C Uani 0.2607(8) 0.5406(8) 0.5936(6) 0.566(3) 0.028(3) d UP A 1
C98 C Uani 0.2931(9) 0.5786(9) 0.6784(6) 0.566(3) 0.027(2) d UP A 1
C99 C Uani 0.3734(8) 0.6905(9) 0.6729(6) 0.566(3) 0.027(2) d UP A 1
C21 C Uani 0.8418(5) 0.3934(5) 0.7648(4) 1.000 0.038(4) d . . .
C22 C Uani 0.8190(5) 0.4511(6) 0.7612(3) 1.000 0.040(5) d . . .
C23 C Uani 0.8613(6) 0.4886(6) 0.7444(3) 1.000 0.040(4) d . . .
C24 C Uani 0.9081(6) 0.4527(7) 0.7380(3) 1.000 0.043(5) d . . .
C25 C Uani 0.8975(6) 0.3952(6) 0.7512(4) 1.000 0.039(5) d . . .
C26 C Uani 0.8137(8) 0.3374(6) 0.7759(4) 1.000 0.070(7) d . . .
C27 C Uani 0.7594(6) 0.4680(7) 0.7707(4) 1.000 0.056(6) d . . .
C28 C Uani 0.8533(9) 0.5522(6) 0.7310(4) 1.000 0.074(7) d . . .
C29 C Uani 0.9587(7) 0.4710(10) 0.7169(4) 1.000 0.085(8) d . . .
C30 C Uani 0.9341(8) 0.3404(8) 0.7471(4) 1.000 0.084(7) d . . .
C31 C Uani 1.0485(6) 0.5218(7) 0.8494(4) 1.000 0.056(3) d U . .
C32 C Uani 1.0384(6) 0.5389(7) 0.8134(4) 1.000 0.052(3) d U . .
C33 C Uani 1.0011(6) 0.5879(7) 0.8134(4) 1.000 0.051(3) d U . .
C34 C Uani 0.9865(6) 0.6024(7) 0.8500(4) 1.000 0.054(3) d U . .
C35 C Uani 1.0165(7) 0.5617(7) 0.8717(4) 1.000 0.059(3) d U . .
C36 C Uani 1.0913(7) 0.4795(8) 0.8626(5) 1.000 0.074(5) d U . .
C37 C Uani 1.0688(7) 0.5129(9) 0.7799(4) 1.000 0.077(7) d . . .
C38 C Uani 0.9849(7) 0.6275(7) 0.7792(4) 1.000 0.058(4) d U . .
C39 C Uani 0.9580(7) 0.6564(7) 0.8613(5) 1.000 0.065(5) d U . .
C40 C Uani 1.0206(9) 0.5657(9) 0.9129(5) 1.000 0.087(5) d U . .
C41 C Uani 0.8978(8) 0.4226(8) 0.9197(5) 1.000 0.073(4) d U . .
C42 C Uani 0.8624(8) 0.4711(8) 0.9202(5) 1.000 0.068(4) d U . .
C43 C Uani 0.8143(7) 0.4574(6) 0.9004(4) 1.000 0.054(3) d U . .
C44 C Uani 0.8167(7) 0.3984(7) 0.8864(4) 1.000 0.060(4) d U . .
C45 C Uani 0.8714(8) 0.3781(8) 0.8987(5) 1.000 0.071(4) d U . .
C46 C Uani 0.9529(9) 0.4233(12) 0.9412(6) 1.000 0.124(8) d U . .
C47 C Uani 0.8719(11) 0.5241(9) 0.9433(6) 1.000 0.111(8) d U . .
C48 C Uani 0.7601(9) 0.4940(10) 0.8982(7) 1.000 0.122(8) d U . .
C49 C Uani 0.7660(9) 0.3686(10) 0.8693(7) 1.000 0.109(8) d U . .
C50 C Uani 0.8848(13) 0.3120(9) 0.8913(8) 1.000 0.149(10) d U . .
C10A C Uani 0.4634(19) 0.5622(18) 0.4992(10) 0.434(3) 0.070(4) d UP A 2
C71A C Uani 0.5167(6) 0.4450(7) 0.6477(4) 0.434(3) 0.025(5) d GUP A 2
C72A C Uani 0.4945(7) 0.4185(7) 0.6156(4) 0.434(3) 0.027(5) d GUP A 2
C73A C Uani 0.5164(8) 0.4492(7) 0.5852(4) 0.434(3) 0.025(5) d GUP A 2
C74A C Uani 0.5521(8) 0.4946(8) 0.5985(5) 0.434(3) 0.032(6) d GUP A 2
C75A C Uani 0.5523(8) 0.4920(8) 0.6371(4) 0.434(3) 0.039(6) d GUP A 2
C76A C Uani 0.5046(11) 0.4264(12) 0.6863(6) 0.434(3) 0.048(12) d GUP A 2
C77A C Uani 0.4618(10) 0.3644(10) 0.6144(7) 0.434(3) 0.023(7) d UP A 2
C78A C Uani 0.5060(12) 0.4299(11) 0.5480(7) 0.434(3) 0.026(7) d UP A 2
C79A C Uani 0.5890(14) 0.5307(14) 0.5754(9) 0.434(3) 0.046(9) d UP A 2
C80A C Uani 0.5884(16) 0.5246(18) 0.6639(8) 0.434(3) 0.060(10) d UP A 2
C81A C Uani 0.3925(6) 0.6343(6) 0.6949(4) 0.434(3) 0.040(3) d GUP A 2
C82A C Uani 0.3383(7) 0.6263(7) 0.6784(6) 0.434(3) 0.040(3) d GUP A 2
C83A C Uani 0.3223(8) 0.5656(9) 0.6831(6) 0.434(3) 0.040(3) d GUP A 2
C84A C Uani 0.3667(8) 0.5361(8) 0.7026(6) 0.434(3) 0.039(3) d GUP A 2
C85A C Uani 0.4101(7) 0.5785(7) 0.7099(6) 0.434(3) 0.040(3) d GUP A 2
C86A C Uani 0.4257(10) 0.6919(10) 0.6964(7) 0.434(3) 0.040(3) d GUP A 2
C87A C Uani 0.3017(13) 0.6759(13) 0.6650(8) 0.434(3) 0.040(3) d UP A 2
C88A C Uani 0.2706(13) 0.5425(14) 0.6734(8) 0.434(3) 0.040(3) d UP A 2
C89A C Uani 0.3649(14) 0.4741(14) 0.7159(9) 0.434(3) 0.040(3) d UP A 2
C90A C Uani 0.4636(13) 0.5743(18) 0.7319(10) 0.434(3) 0.039(3) d UP A 2
C91A C Uani 0.3646(9) 0.5551(8) 0.5296(5) 0.434(3) 0.070(4) d GUP A 2
C92A C Uani 0.3312(10) 0.5958(10) 0.5497(7) 0.434(3) 0.070(4) d GUP A 2
C93A C Uani 0.3639(12) 0.6475(11) 0.5562(7) 0.434(3) 0.071(4) d GUP A 2
C94A C Uani 0.4175(12) 0.6389(11) 0.5401(7) 0.434(3) 0.070(4) d GUP A 2
C95A C Uani 0.4178(10) 0.5817(10) 0.5237(6) 0.434(3) 0.070(4) d GUP A 2
C96A C Uani 0.3465(15) 0.4943(12) 0.5168(8) 0.434(3) 0.070(4) d GUP A 2
C97A C Uani 0.2666(17) 0.5829(17) 0.5555(9) 0.434(3) 0.071(4) d UP A 2
C98A C Uani 0.3441(19) 0.7064(16) 0.5708(10) 0.434(3) 0.072(4) d UP A 2
C99A C Uani 0.4689(18) 0.6798(16) 0.5359(10) 0.434(3) 0.071(4) d UP A 2
C1 C Uani 0.7112(5) 0.6582(5) 0.8405(3) 1.000 0.026(4) d . . .
C2 C Uani 0.7485(5) 0.6960(5) 0.8595(3) 1.000 0.025(4) d . . .
C3 C Uani 0.7806(4) 0.7276(5) 0.8326(3) 1.000 0.023(4) d . . .
C4 C Uani 0.7647(5) 0.7066(5) 0.7972(3) 1.000 0.032(4) d . . .
C5 C Uani 0.7202(4) 0.6640(5) 0.8015(3) 1.000 0.024(4) d . . .
C6 C Uani 0.6654(5) 0.6220(5) 0.8568(4) 1.000 0.036(4) d . . .
C7 C Uani 0.7516(6) 0.7064(6) 0.8993(3) 1.000 0.043(5) d . . .
C8 C Uani 0.8226(5) 0.7771(5) 0.8410(4) 1.000 0.035(4) d . . .
C9 C Uani 0.7870(5) 0.7304(6) 0.7611(3) 1.000 0.039(5) d . . .
C10 C Uani 0.6877(5) 0.6357(6) 0.7725(4) 1.000 0.040(5) d . . .
C11 C Uani 1.0419(5) 0.2253(6) 0.8500(4) 1.000 0.034(4) d . . .
C12 C Uani 1.0778(5) 0.2577(6) 0.8719(4) 1.000 0.035(4) d . . .
C13 C Uani 1.1177(5) 0.2908(5) 0.8487(3) 1.000 0.025(4) d . . .
C14 C Uani 1.1034(5) 0.2767(5) 0.8122(3) 1.000 0.028(4) d . . .
C15 C Uani 1.0567(5) 0.2366(5) 0.8114(3) 1.000 0.029(4) d . . .
C16 C Uani 0.9971(6) 0.1817(7) 0.8610(5) 1.000 0.066(6) d . . .
C17 C Uani 1.0803(7) 0.2565(8) 0.9131(4) 1.000 0.061(6) d . . .
C18 C Uani 1.1631(6) 0.3282(6) 0.8626(4) 1.000 0.049(5) d . . .
C19 C Uani 1.1350(6) 0.2971(6) 0.7799(4) 1.000 0.043(5) d . . .
C20 C Uani 1.0321(6) 0.2069(6) 0.7788(4) 1.000 0.043(5) d . . .
C51 C Uani 0.6252(4) 0.7389(5) 0.6429(3) 1.000 0.022(4) d . . .
C52 C Uani 0.6353(5) 0.7309(5) 0.6062(3) 1.000 0.025(4) d . . .
C53 C Uani 0.5948(5) 0.7655(5) 0.5854(3) 1.000 0.028(4) d . . .
C54 C Uani 0.5607(5) 0.7943(5) 0.6098(3) 1.000 0.026(4) d . . .
C55 C Uani 0.5785(5) 0.7800(5) 0.6468(3) 1.000 0.026(4) d . . .
C56 C Uani 0.6589(5) 0.7119(5) 0.6750(4) 1.000 0.040(5) d . . .
C57 C Uani 0.6804(5) 0.6938(5) 0.5895(4) 1.000 0.038(4) d . . .
C58 C Uani 0.5927(6) 0.7720(6) 0.5442(3) 1.000 0.043(5) d . . .
C59 C Uani 0.5163(5) 0.8408(5) 0.6013(4) 1.000 0.040(4) d . . .
C60 C Uani 0.5570(6) 0.8038(5) 0.6814(3) 1.000 0.035(4) d . . .
F49 F Uani 0.7588(7) 0.2981(7) 0.4947(5) 1.000 0.160(6) d U . .
C61 C Uani 0.2639(6) 0.3263(6) 0.5807(3) 1.000 0.035(4) d . . .
C62 C Uani 0.2280(5) 0.3562(5) 0.6051(4) 1.000 0.037(5) d . . .
C63 C Uani 0.2449(5) 0.3430(5) 0.6414(3) 1.000 0.029(4) d . . .
C64 C Uani 0.2916(5) 0.3049(5) 0.6393(4) 1.000 0.031(4) d . . .
C65 C Uani 0.3039(5) 0.2931(5) 0.6021(3) 1.000 0.027(4) d . . .
C66 C Uani 0.2588(7) 0.3245(7) 0.5396(3) 1.000 0.060(6) d . . .
C67 C Uani 0.1761(6) 0.3941(6) 0.5951(4) 1.000 0.046(5) d . . .
C68 C Uani 0.2158(6) 0.3649(6) 0.6755(4) 1.000 0.048(5) d . . .
C69 C Uani 0.3227(6) 0.2764(6) 0.6719(4) 1.000 0.047(5) d . . .
C70 C Uani 0.3476(6) 0.2521(6) 0.5880(4) 1.000 0.048(5) d . . .
C165 C Uani 0.7314(7) 0.4694(8) 0.5325(5) 1.000 0.071(4) d U . .
C166 C Uani 0.7698(7) 0.4298(8) 0.5494(5) 1.000 0.070(4) d U . .
C167 C Uani 0.7820(8) 0.3760(8) 0.5355(5) 1.000 0.076(4) d U . .
C168 C Uani 0.7542(8) 0.3579(10) 0.5033(5) 1.000 0.088(4) d U . .
C169 C Uani 0.7147(8) 0.3929(10) 0.4874(6) 1.000 0.090(4) d U . .
C170 C Uani 0.7070(8) 0.4483(9) 0.5011(5) 1.000 0.082(4) d U . .
H102 H Uiso 0.79260 0.97510 0.89420 1.000 0.0320 c RU . .
H104 H Uiso 0.79700 0.83020 0.96020 1.000 0.0330 c RU . .
H106 H Uiso 0.93170 0.87130 0.89630 1.000 0.0310 c RU . .
H110 H Uiso 1.00500 0.99780 0.89940 1.000 0.0310 c RU . .
H112 H Uiso 0.97440 1.13550 0.96760 1.000 0.0610 c RU . .
H114 H Uiso 0.85080 1.07090 0.90170 1.000 0.0370 c RU . .
H118 H Uiso 0.88650 1.09620 0.83650 1.000 0.0330 c RU . .
H120 H Uiso 0.75830 1.07740 0.76430 1.000 0.0450 c RU . .
H122 H Uiso 0.80980 0.93590 0.82550 1.000 0.0310 c RU . .
H126 H Uiso 0.91030 0.87040 0.83010 1.000 0.0290 c RU . .
H128 H Uiso 1.05090 0.88700 0.76890 1.000 0.0320 c RU . .
H130 H Uiso 0.99850 1.02070 0.83560 1.000 0.0270 c RU . .
H134 H Uiso 0.90620 0.43340 0.54680 1.000 0.0320 c RU . .
H136 H Uiso 1.04500 0.39660 0.48950 1.000 0.0360 c RU . .
H138 H Uiso 1.04090 0.53810 0.55720 1.000 0.0330 c RU . .
H142 H Uiso 0.83520 0.58040 0.61300 1.000 0.0420 c RU . .
H144 H Uiso 0.76910 0.44040 0.66690 1.000 0.0320 c RU . .
H146 H Uiso 0.91500 0.42190 0.61250 1.000 0.0280 c RU . .
H150 H Uiso 0.93970 0.64330 0.62540 1.000 0.0360 c RU . .
H152 H Uiso 1.06900 0.62040 0.69560 1.000 0.0400 c RU . .
H154 H Uiso 1.02970 0.49200 0.62370 1.000 0.0280 c RU . .
H158 H Uiso 0.83670 0.56140 0.54430 1.000 0.0300 c RU . .
H160 H Uiso 0.88030 0.70750 0.48620 1.000 0.0400 c RU . .
H162 H Uiso 0.98950 0.63540 0.55960 1.000 0.0410 c RU . .
H10D H Uiso 0.36810 0.74850 0.57990 0.566(3) 0.0390 c RUP A 1
H10E H Uiso 0.41710 0.70610 0.56520 0.566(3) 0.0390 c RUP A 1
H10F H Uiso 0.42170 0.73440 0.60540 0.566(3) 0.0390 c RUP A 1
H76A H Uiso 0.46700 0.35150 0.53550 0.566(3) 0.0670 c RUP A 1
H76B H Uiso 0.40670 0.38240 0.54010 0.566(3) 0.0670 c RUP A 1
H76C H Uiso 0.44530 0.36940 0.57540 0.566(3) 0.0670 c RUP A 1
H77A H Uiso 0.39540 0.47300 0.48470 0.566(3) 0.0660 c RUP A 1
H77B H Uiso 0.37590 0.52980 0.50770 0.566(3) 0.0660 c RUP A 1
H77C H Uiso 0.36550 0.46440 0.52350 0.566(3) 0.0660 c RUP A 1
H78A H Uiso 0.50970 0.59800 0.49050 0.566(3) 0.0660 c RUP A 1
H78B H Uiso 0.48670 0.62970 0.52670 0.566(3) 0.0660 c RUP A 1
H78C H Uiso 0.44350 0.59860 0.49860 0.566(3) 0.0660 c RUP A 1
H79A H Uiso 0.59910 0.56940 0.52670 0.566(3) 0.0670 c RUP A 1
H79B H Uiso 0.62150 0.52770 0.55930 0.566(3) 0.0670 c RUP A 1
H79C H Uiso 0.58640 0.58650 0.56850 0.566(3) 0.0670 c RUP A 1
H80A H Uiso 0.58370 0.38780 0.55520 0.566(3) 0.0670 c RUP A 1
H80B H Uiso 0.55080 0.38890 0.59330 0.566(3) 0.0670 c RUP A 1
H80C H Uiso 0.60060 0.43530 0.58610 0.566(3) 0.0670 c RUP A 1
H86A H Uiso 0.49740 0.35270 0.69730 0.566(3) 0.0410 c RUP A 1
H86B H Uiso 0.51060 0.36690 0.65520 0.566(3) 0.0410 c RUP A 1
H86C H Uiso 0.44680 0.36570 0.66900 0.566(3) 0.0410 c RUP A 1
H87A H Uiso 0.40440 0.42490 0.74040 0.566(3) 0.0410 c RUP A 1
H87B H Uiso 0.37350 0.43090 0.70130 0.566(3) 0.0410 c RUP A 1
H87C H Uiso 0.37280 0.48540 0.72960 0.566(3) 0.0410 c RUP A 1
H88A H Uiso 0.45880 0.56920 0.76090 0.566(3) 0.0420 c RUP A 1
H88B H Uiso 0.40330 0.57120 0.73560 0.566(3) 0.0420 c RUP A 1
H88C H Uiso 0.45420 0.61610 0.72800 0.566(3) 0.0420 c RUP A 1
H89A H Uiso 0.59070 0.57950 0.72090 0.566(3) 0.0420 c RUP A 1
H89B H Uiso 0.54720 0.62450 0.70170 0.566(3) 0.0420 c RUP A 1
H89C H Uiso 0.59060 0.58770 0.67720 0.566(3) 0.0420 c RUP A 1
H90A H Uiso 0.61990 0.45920 0.68650 0.566(3) 0.0430 c RUP A 1
H90B H Uiso 0.60630 0.49290 0.64880 0.566(3) 0.0430 c RUP A 1
H90C H Uiso 0.59170 0.42380 0.65300 0.566(3) 0.0430 c RUP A 1
H96A H Uiso 0.29030 0.65080 0.53630 0.566(3) 0.0410 c RUP A 1
H96B H Uiso 0.31940 0.58720 0.53100 0.566(3) 0.0410 c RUP A 1
H96C H Uiso 0.35680 0.64630 0.53000 0.566(3) 0.0410 c RUP A 1
H97A H Uiso 0.22700 0.56220 0.58550 0.566(3) 0.0420 c RUP A 1
H97B H Uiso 0.25140 0.51520 0.61450 0.566(3) 0.0420 c RUP A 1
H97C H Uiso 0.27450 0.51590 0.57340 0.566(3) 0.0420 c RUP A 1
H98A H Uiso 0.25190 0.58140 0.67740 0.566(3) 0.0410 c RUP A 1
H98B H Uiso 0.30730 0.60120 0.69960 0.566(3) 0.0410 c RUP A 1
H98C H Uiso 0.30430 0.53690 0.68090 0.566(3) 0.0410 c RUP A 1
H99A H Uiso 0.34030 0.71010 0.68330 0.566(3) 0.0400 c RUP A 1
H99B H Uiso 0.39990 0.72060 0.66420 0.566(3) 0.0400 c RUP A 1
H99C H Uiso 0.39180 0.66620 0.69190 0.566(3) 0.0400 c RUP A 1
H26A H Uiso 0.80210 0.31520 0.75390 1.000 0.1050 c RU . .
H26B H Uiso 0.78050 0.34670 0.79060 1.000 0.1050 c RU . .
H26C H Uiso 0.84010 0.31320 0.79050 1.000 0.1050 c RU . .
H27A H Uiso 0.73770 0.47480 0.74810 1.000 0.0830 c RU . .
H27B H Uiso 0.75980 0.50440 0.78550 1.000 0.0830 c RU . .
H27C H Uiso 0.74210 0.43580 0.78470 1.000 0.0830 c RU . .
H28A H Uiso 0.83710 0.55180 0.70620 1.000 0.1100 c RU . .
H28B H Uiso 0.88980 0.57240 0.73080 1.000 0.1100 c RU . .
H28C H Uiso 0.82780 0.57320 0.74760 1.000 0.1100 c RU . .
H29A H Uiso 0.95310 0.46120 0.69090 1.000 0.1290 c RU . .
H29B H Uiso 0.99200 0.44990 0.72640 1.000 0.1290 c RU . .
H29C H Uiso 0.96450 0.51390 0.71950 1.000 0.1290 c RU . .
H30A H Uiso 0.92540 0.32090 0.72370 1.000 0.1250 c RU . .
H30B H Uiso 0.92660 0.31280 0.76730 1.000 0.1250 c RU . .
H30C H Uiso 0.97380 0.35210 0.74770 1.000 0.1250 c RU . .
H36A H Uiso 1.12830 0.49890 0.86300 1.000 0.1100 c RU . .
H36B H Uiso 1.09230 0.44510 0.84620 1.000 0.1100 c RU . .
H36C H Uiso 1.08180 0.46640 0.88740 1.000 0.1100 c RU . .
H37A H Uiso 1.10760 0.52780 0.77940 1.000 0.1150 c RU . .
H37B H Uiso 1.04890 0.52500 0.75740 1.000 0.1150 c RU . .
H37C H Uiso 1.06920 0.46940 0.78160 1.000 0.1150 c RU . .
H38A H Uiso 1.00910 0.66280 0.77870 1.000 0.0870 c RU . .
H38B H Uiso 0.94540 0.63990 0.78110 1.000 0.0870 c RU . .
H38C H Uiso 0.99000 0.60450 0.75670 1.000 0.0870 c RU . .
H39A H Uiso 0.98610 0.68710 0.86710 1.000 0.0980 c RU . .
H39B H Uiso 0.93550 0.64820 0.88320 1.000 0.0980 c RU . .
H39C H Uiso 0.93320 0.67030 0.84150 1.000 0.0980 c RU . .
H40A H Uiso 1.04870 0.59580 0.91980 1.000 0.1310 c RU . .
H40B H Uiso 1.03210 0.52700 0.92290 1.000 0.1310 c RU . .
H40C H Uiso 0.98390 0.57680 0.92280 1.000 0.1310 c RU . .
H46A H Uiso 0.94500 0.42180 0.96760 1.000 0.1850 c RU . .
H46B H Uiso 0.97360 0.45980 0.93560 1.000 0.1850 c RU . .
H46C H Uiso 0.97560 0.38870 0.93440 1.000 0.1850 c RU . .
H47A H Uiso 0.84840 0.52170 0.96520 1.000 0.1660 c RU . .
H47B H Uiso 0.86200 0.55990 0.92930 1.000 0.1660 c RU . .
H47C H Uiso 0.91170 0.52600 0.95070 1.000 0.1660 c RU . .
H48A H Uiso 0.73640 0.48460 0.91930 1.000 0.1830 c RU . .
H48B H Uiso 0.73980 0.48440 0.87540 1.000 0.1830 c RU . .
H48C H Uiso 0.76950 0.53640 0.89850 1.000 0.1830 c RU . .
H49A H Uiso 0.74710 0.34430 0.88780 1.000 0.1640 c RU . .
H49B H Uiso 0.77810 0.34320 0.84900 1.000 0.1640 c RU . .
H49C H Uiso 0.73980 0.39890 0.86000 1.000 0.1640 c RU . .
H50A H Uiso 0.86480 0.28710 0.90900 1.000 0.2240 c RU . .
H50B H Uiso 0.92550 0.30540 0.89390 1.000 0.2240 c RU . .
H50C H Uiso 0.87260 0.30160 0.86630 1.000 0.2240 c RU . .
H10G H Uiso 0.48930 0.59540 0.49490 0.434(3) 0.1050 c RUP A 2
H10H H Uiso 0.44720 0.54890 0.47580 0.434(3) 0.1050 c RUP A 2
H10I H Uiso 0.48410 0.52930 0.51070 0.434(3) 0.1050 c RUP A 2
H76D H Uiso 0.50610 0.38290 0.68800 0.434(3) 0.0730 c RUP A 2
H76E H Uiso 0.46700 0.44020 0.69310 0.434(3) 0.0730 c RUP A 2
H76F H Uiso 0.53280 0.44380 0.70290 0.434(3) 0.0730 c RUP A 2
H77D H Uiso 0.48500 0.33200 0.60480 0.434(3) 0.0350 c RUP A 2
H77E H Uiso 0.42880 0.37010 0.59840 0.434(3) 0.0350 c RUP A 2
H77F H Uiso 0.44940 0.35440 0.63920 0.434(3) 0.0350 c RUP A 2
H78D H Uiso 0.53320 0.44890 0.53160 0.434(3) 0.0390 c RUP A 2
H78E H Uiso 0.46770 0.44110 0.54050 0.434(3) 0.0390 c RUP A 2
H78F H Uiso 0.51020 0.38660 0.54650 0.434(3) 0.0390 c RUP A 2
H79D H Uiso 0.62260 0.50770 0.56920 0.434(3) 0.0690 c RUP A 2
H79E H Uiso 0.60030 0.56660 0.58880 0.434(3) 0.0690 c RUP A 2
H79F H Uiso 0.56890 0.54190 0.55290 0.434(3) 0.0690 c RUP A 2
H80D H Uiso 0.62030 0.49940 0.67120 0.434(3) 0.0910 c RUP A 2
H80E H Uiso 0.56630 0.53470 0.68560 0.434(3) 0.0910 c RUP A 2
H80F H Uiso 0.60250 0.56110 0.65260 0.434(3) 0.0910 c RUP A 2
H86D H Uiso 0.41670 0.71350 0.71890 0.434(3) 0.0600 c RUP A 2
H86E H Uiso 0.41580 0.71650 0.67500 0.434(3) 0.0600 c RUP A 2
H86F H Uiso 0.46620 0.68300 0.69600 0.434(3) 0.0600 c RUP A 2
H87D H Uiso 0.27710 0.68910 0.68490 0.434(3) 0.0600 c RUP A 2
H87E H Uiso 0.27850 0.66200 0.64430 0.434(3) 0.0600 c RUP A 2
H87F H Uiso 0.32530 0.70910 0.65710 0.434(3) 0.0600 c RUP A 2
H88D H Uiso 0.24090 0.56320 0.68680 0.434(3) 0.0600 c RUP A 2
H88E H Uiso 0.26960 0.50000 0.67940 0.434(3) 0.0600 c RUP A 2
H88F H Uiso 0.26440 0.54770 0.64690 0.434(3) 0.0600 c RUP A 2
H89D H Uiso 0.34490 0.47270 0.73930 0.434(3) 0.0590 c RUP A 2
H89E H Uiso 0.40340 0.45940 0.71950 0.434(3) 0.0590 c RUP A 2
H89F H Uiso 0.34520 0.44930 0.69780 0.434(3) 0.0590 c RUP A 2
H90D H Uiso 0.45470 0.57420 0.75810 0.434(3) 0.0590 c RUP A 2
H90E H Uiso 0.48770 0.60850 0.72640 0.434(3) 0.0590 c RUP A 2
H90F H Uiso 0.48340 0.53750 0.72560 0.434(3) 0.0590 c RUP A 2
H96D H Uiso 0.33990 0.49500 0.49020 0.434(3) 0.1050 c RUP A 2
H96E H Uiso 0.31170 0.48290 0.52920 0.434(3) 0.1050 c RUP A 2
H96F H Uiso 0.37620 0.46540 0.52270 0.434(3) 0.1050 c RUP A 2
H97D H Uiso 0.24600 0.58980 0.53250 0.434(3) 0.1060 c RUP A 2
H97E H Uiso 0.25200 0.60930 0.57460 0.434(3) 0.1060 c RUP A 2
H97F H Uiso 0.26160 0.54140 0.56310 0.434(3) 0.1060 c RUP A 2
H98D H Uiso 0.30440 0.70340 0.57760 0.434(3) 0.1070 c RUP A 2
H98E H Uiso 0.34820 0.73690 0.55180 0.434(3) 0.1070 c RUP A 2
H98F H Uiso 0.36670 0.71740 0.59240 0.434(3) 0.1070 c RUP A 2
H99D H Uiso 0.50350 0.65690 0.54010 0.434(3) 0.1060 c RUP A 2
H99E H Uiso 0.46680 0.71220 0.55380 0.434(3) 0.1060 c RUP A 2
H99F H Uiso 0.46920 0.69640 0.51100 0.434(3) 0.1060 c RUP A 2
H6AB H Uiso 0.67560 0.61150 0.88210 1.000 0.0540 c RU . .
H6AC H Uiso 0.66020 0.58560 0.84240 1.000 0.0540 c RU . .
H7AB H Uiso 0.78800 0.72440 0.90570 1.000 0.0650 c RU . .
H7AC H Uiso 0.74770 0.66850 0.91230 1.000 0.0650 c RU . .
H8AB H Uiso 0.83300 0.79700 0.81820 1.000 0.0530 c RU . .
H8AC H Uiso 0.85630 0.76030 0.85270 1.000 0.0530 c RU . .
H6A H Uiso 0.63030 0.64490 0.85660 1.000 0.0540 c RU . .
H9AB H Uiso 0.78540 0.69910 0.74250 1.000 0.0590 c RU . .
H7A H Uiso 0.72110 0.73320 0.90660 1.000 0.0650 c RU . .
H9AC H Uiso 0.82620 0.74330 0.76450 1.000 0.0590 c RU . .
H8A H Uiso 0.80530 0.80600 0.85760 1.000 0.0530 c RU . .
H9A H Uiso 0.76400 0.76420 0.75310 1.000 0.0590 c RU . .
H10A H Uiso 0.64850 0.64920 0.77360 1.000 0.0600 c RU . .
H10B H Uiso 0.68900 0.59240 0.77570 1.000 0.0600 c RU . .
H10C H Uiso 0.70360 0.64620 0.74870 1.000 0.0600 c RU . .
H16A H Uiso 1.01310 0.14160 0.86170 1.000 0.0980 c RU . .
H16B H Uiso 0.96600 0.18290 0.84310 1.000 0.0980 c RU . .
H16C H Uiso 0.98300 0.19220 0.88530 1.000 0.0980 c RU . .
H17A H Uiso 1.10370 0.22300 0.92130 1.000 0.0920 c RU . .
H17B H Uiso 1.04210 0.25190 0.92280 1.000 0.0920 c RU . .
H17C H Uiso 1.09670 0.29380 0.92220 1.000 0.0920 c RU . .
H18A H Uiso 1.19840 0.30560 0.86270 1.000 0.0730 c RU . .
H18B H Uiso 1.15460 0.34110 0.88760 1.000 0.0730 c RU . .
H18C H Uiso 1.16710 0.36310 0.84670 1.000 0.0730 c RU . .
H19A H Uiso 1.16090 0.26570 0.77210 1.000 0.0640 c RU . .
H19B H Uiso 1.15660 0.33280 0.78630 1.000 0.0640 c RU . .
H19C H Uiso 1.10860 0.30630 0.75990 1.000 0.0640 c RU . .
H20A H Uiso 1.04050 0.16430 0.77970 1.000 0.0640 c RU . .
H20B H Uiso 1.04830 0.22410 0.75650 1.000 0.0640 c RU . .
H20C H Uiso 0.99120 0.21270 0.77840 1.000 0.0640 c RU . .
H56A H Uiso 0.69500 0.73280 0.67770 1.000 0.0610 c RU . .
H56B H Uiso 0.66590 0.66970 0.67010 1.000 0.0610 c RU . .
H56C H Uiso 0.63740 0.71590 0.69770 1.000 0.0610 c RU . .
H57A H Uiso 0.71740 0.70980 0.59630 1.000 0.0570 c RU . .
H57B H Uiso 0.67610 0.69430 0.56270 1.000 0.0570 c RU . .
H57C H Uiso 0.67720 0.65280 0.59840 1.000 0.0570 c RU . .
H58A H Uiso 0.62090 0.80130 0.53650 1.000 0.0650 c RU . .
H58B H Uiso 0.55510 0.78550 0.53660 1.000 0.0650 c RU . .
H58C H Uiso 0.60080 0.73360 0.53270 1.000 0.0650 c RU . .
H59A H Uiso 0.53460 0.87740 0.59310 1.000 0.0600 c RU . .
H59B H Uiso 0.49460 0.84900 0.62350 1.000 0.0600 c RU . .
H59C H Uiso 0.49100 0.82600 0.58190 1.000 0.0600 c RU . .
H60A H Uiso 0.57320 0.84310 0.68590 1.000 0.0530 c RU . .
H60B H Uiso 0.56740 0.77700 0.70160 1.000 0.0530 c RU . .
H60C H Uiso 0.51580 0.80700 0.67990 1.000 0.0530 c RU . .
H66A H Uiso 0.22870 0.29680 0.53240 1.000 0.0900 c RU . .
H66B H Uiso 0.29450 0.31120 0.52910 1.000 0.0900 c RU . .
H66C H Uiso 0.24970 0.36430 0.53030 1.000 0.0900 c RU . .
H67A H Uiso 0.14290 0.37810 0.60750 1.000 0.0700 c RU . .
H67B H Uiso 0.16990 0.39300 0.56850 1.000 0.0700 c RU . .
H67C H Uiso 0.18240 0.43520 0.60300 1.000 0.0700 c RU . .
H68A H Uiso 0.17760 0.34830 0.67640 1.000 0.0710 c RU . .
H68B H Uiso 0.21360 0.40840 0.67500 1.000 0.0710 c RU . .
H68C H Uiso 0.23710 0.35210 0.69730 1.000 0.0710 c RU . .
H69A H Uiso 0.30490 0.23840 0.67790 1.000 0.0700 c RU . .
H69B H Uiso 0.32100 0.30300 0.69310 1.000 0.0700 c RU . .
H69C H Uiso 0.36220 0.26950 0.66540 1.000 0.0700 c RU . .
H70A H Uiso 0.32980 0.21490 0.58010 1.000 0.0720 c RU . .
H70B H Uiso 0.37530 0.24380 0.60750 1.000 0.0720 c RU . .
H70C H Uiso 0.36660 0.27050 0.56720 1.000 0.0720 c RU . .
H165 H Uiso 0.72320 0.50760 0.54220 1.000 0.0850 c RU . .
H166 H Uiso 0.78780 0.44170 0.57160 1.000 0.0840 c RU . .
H167 H Uiso 0.80890 0.35090 0.54730 1.000 0.0910 c RU . .
H169 H Uiso 0.69280 0.37900 0.46720 1.000 0.1080 c RU . .
H170 H Uiso 0.68280 0.47430 0.48780 1.000 0.0980 c RU . .


#===============================================================================

# 10. MOLECULAR GEOMETRY

_geom_special_details            
;
 Bond distances, angles etc. have been calculated using the
 rounded fractional coordinates. All su's are estimated
 from the variances of the (full) variance-covariance matrix.
 The cell esds are taken into account in the estimation of
 distances, angles and torsion angles
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn2 Cu2 2.403(7) . . yes
Zn2 Cu1 2.525(7) . . yes
Zn3 C73 2.142(15) . . yes
Zn3 C72 2.209(15) . . yes
Zn3 Cu1 2.400(3) . . yes
Zn3 Cu2 2.398(3) . . yes
Zn3 C71 2.249(13) . . yes
Zn3 C75 2.209(15) . . yes
Zn3 C74 2.145(16) . . yes
Zn4 Cu1 2.527(7) . . yes
Zn4 Cu2 2.446(7) . . yes
Cu1 C84 2.18(2) . . yes
Cu1 C85 2.22(2) . . yes
Cu1 C81 2.19(3) . . yes
Cu1 C82 2.20(2) . . yes
Cu1 C83 2.21(2) . . yes
Cu2 C93 2.19(2) . . yes
Cu2 C91 2.21(2) . . yes
Cu2 C92 2.157(19) . . yes
Cu2 C94 2.187(19) . . yes
Cu2 C95 2.185(18) . . yes
Zn7 Cu4 2.585(3) . . yes
Zn7 Cu3 2.483(2) . . yes
Zn8 C43 2.178(16) . . yes
Zn8 C41 2.213(18) . . yes
Zn8 Cu4 2.389(2) . . yes
Zn8 Cu3 2.394(2) . . yes
Zn8 C44 2.214(16) . . yes
Zn8 C42 2.209(18) . . yes
Zn8 C45 2.167(18) . . yes
Zn9 Cu3 2.464(2) . . yes
Zn9 Cu4 2.604(2) . . yes
Cu3 C31 2.203(14) . . yes
Cu3 C35 2.190(16) . . yes
Cu3 C32 2.175(14) . . yes
Cu3 C34 2.200(16) . . yes
Cu3 C33 2.163(15) . . yes
Cu4 C23 2.192(12) . . yes
Cu4 C22 2.206(12) . . yes
Cu4 C21 2.224(13) . . yes
Cu4 C25 2.183(14) . . yes
Cu4 C24 2.195(11) . . yes
Zn2A Cu1A 2.835(9) . . yes
Zn2A Cu2A 2.465(10) . . yes
Zn3A Cu2A 2.393(4) . . yes
Zn3A Cu1A 2.381(4) . . yes
Zn3A C73A 2.185(17) . . yes
Zn3A C71A 2.194(15) . . yes
Zn3A C72A 2.187(16) . . yes
Zn3A C74A 2.193(19) . . yes
Zn3A C75A 2.199(19) . . yes
Zn4A Cu2A 2.476(7) . . yes
Zn4A Cu1A 2.729(7) . . yes
Cu1A C82A 2.201(18) . . yes
Cu1A C83A 2.19(2) . . yes
Cu1A C81A 2.217(14) . . yes
Cu1A C84A 2.21(2) . . yes
Cu1A C85A 2.22(2) . . yes
Cu2A C92A 2.14(2) . . yes
Cu2A C94A 2.21(3) . . yes
Cu2A C93A 2.16(3) . . yes
Cu2A C91A 2.183(19) . . yes
Cu2A C95A 2.22(2) . . yes
Zn10 C3 2.247(11) . . yes
Zn10 C2 2.226(11) . . yes
Zn10 C1 2.230(12) . . yes
Zn10 C4 2.222(11) . . yes
Zn10 C5 2.245(10) . . yes
Zn6 C15 2.231(11) . . yes
Zn6 C14 2.229(12) . . yes
Zn6 C12 2.220(14) . . yes
Zn6 C13 2.238(12) . . yes
Zn6 C11 2.232(14) . . yes
Zn1 C51 2.237(10) . . yes
Zn1 C53 2.250(11) . . yes
Zn1 C52 2.254(12) . . yes
Zn1 C55 2.248(11) . . yes
Zn1 C54 2.228(11) . . yes
Zn5 C65 2.242(11) . . yes
Zn5 C64 2.211(12) . . yes
Zn5 C61 2.234(13) . . yes
Zn5 C62 2.236(12) . . yes
Zn5 C63 2.237(12) . . yes
F1 C107 1.351(16) . . yes
F2 C107 1.359(14) . . yes
F3 C107 1.291(14) . . yes
F4 C108 1.30(2) . . yes
F5 C108 1.30(2) . . yes
F6 C108 1.33(2) . . yes
F7 C115 1.323(18) . . yes
F8 C115 1.309(19) . . yes
F9 C115 1.326(18) . . yes
F10 C116 1.37(3) . . yes
F11 C116 1.35(2) . . yes
F12 C116 1.23(2) . . yes
F13 C123 1.32(2) . . yes
F14 C123 1.34(2) . . yes
F15 C123 1.30(2) . . yes
F16 C124 1.39(2) . . yes
F17 C124 1.33(2) . . yes
F18 C124 1.31(2) . . yes
F19 C132 1.341(15) . . yes
F20 C132 1.353(15) . . yes
F21 C132 1.299(16) . . yes
F22 C131 1.320(19) . . yes
F23 C131 1.276(18) . . yes
F24 C131 1.307(19) . . yes
F25 C140 1.287(17) . . yes
F26 C140 1.338(17) . . yes
F27 C140 1.313(16) . . yes
F28 C139 1.303(18) . . yes
F29 C139 1.306(17) . . yes
F30 C139 1.327(19) . . yes
F31 C147 1.346(18) . . yes
F32 C147 1.327(16) . . yes
F33 C147 1.344(16) . . yes
F34 C148 1.339(16) . . yes
F35 C148 1.308(17) . . yes
F36 C148 1.316(16) . . yes
F37 C155 1.336(16) . . yes
F38 C155 1.327(18) . . yes
F39 C155 1.322(18) . . yes
F40 C156 1.303(16) . . yes
F41 C156 1.303(16) . . yes
F42 C156 1.359(18) . . yes
F43 C163 1.288(18) . . yes
F44 C163 1.355(18) . . yes
F45 C163 1.292(18) . . yes
F46 C164 1.30(3) . . yes
F47 C164 1.37(2) . . yes
F48 C164 1.27(2) . . yes
C101 C106 1.390(15) . . no
C101 C102 1.403(15) . . no
C101 B1 1.645(16) . . yes
C102 C103 1.414(16) . . no
C103 C107 1.465(17) . . no
C103 C104 1.373(16) . . no
C104 C105 1.359(18) . . no
C105 C106 1.442(16) . . no
C105 C108 1.49(2) . . no
C109 C114 1.392(16) . . no
C109 B1 1.652(17) . . yes
C109 C110 1.382(17) . . no
C110 C111 1.404(17) . . no
C111 C115 1.49(2) . . no
C111 C112 1.37(2) . . no
C112 C113 1.35(2) . . no
C113 C116 1.44(2) . . no
C113 C114 1.426(19) . . no
C117 C122 1.389(16) . . no
C117 B1 1.618(17) . . yes
C117 C118 1.432(16) . . no
C118 C119 1.382(17) . . no
C119 C120 1.342(18) . . no
C119 C123 1.49(2) . . no
C120 C121 1.403(19) . . no
C121 C124 1.44(2) . . no
C121 C122 1.401(16) . . no
C125 C130 1.376(16) . . no
C125 C126 1.382(16) . . no
C125 B1 1.622(17) . . yes
C126 C127 1.373(17) . . no
C127 C131 1.508(19) . . no
C127 C128 1.398(18) . . no
C128 C129 1.400(16) . . no
C129 C130 1.397(15) . . no
C129 C132 1.500(16) . . no
C102 H102 0.9500 . . no
C104 H104 0.9500 . . no
C106 H106 0.9500 . . no
C110 H110 0.9500 . . no
C112 H112 0.9500 . . no
C114 H114 0.9500 . . no
C118 H118 0.9500 . . no
C120 H120 0.9500 . . no
C122 H122 0.9500 . . no
C126 H126 0.9500 . . no
C128 H128 0.9500 . . no
C130 H130 0.9500 . . no
C133 C138 1.381(17) . . no
C133 C134 1.396(16) . . no
C133 B2 1.623(18) . . yes
C134 C135 1.401(16) . . no
C135 C139 1.493(18) . . no
C135 C136 1.334(17) . . no
C136 C137 1.388(16) . . no
C137 C138 1.402(16) . . no
C137 C140 1.51(2) . . no
C141 C142 1.395(17) . . no
C141 B2 1.601(18) . . yes
C141 C146 1.429(16) . . no
C142 C143 1.369(17) . . no
C143 C147 1.502(19) . . no
C143 C144 1.396(17) . . no
C144 C145 1.380(16) . . no
C145 C146 1.362(16) . . no
C145 C148 1.513(18) . . no
C149 C150 1.398(16) . . no
C149 B2 1.661(18) . . yes
C149 C154 1.396(16) . . no
C150 C151 1.334(16) . . no
C151 C155 1.502(18) . . no
C151 C152 1.402(16) . . no
C152 C153 1.357(16) . . no
C153 C156 1.512(18) . . no
C153 C154 1.360(16) . . no
C157 C158 1.383(18) . . no
C157 C162 1.394(19) . . no
C157 B2 1.650(18) . . yes
C158 C159 1.397(16) . . no
C159 C160 1.379(18) . . no
C159 C163 1.50(2) . . no
C160 C161 1.37(2) . . no
C161 C164 1.46(3) . . no
C161 C162 1.401(19) . . no
C134 H134 0.9500 . . no
C136 H136 0.9500 . . no
C138 H138 0.9500 . . no
C142 H142 0.9500 . . no
C144 H144 0.9500 . . no
C146 H146 0.9500 . . no
C150 H150 0.9500 . . no
C152 H152 0.9500 . . no
C154 H154 0.9500 . . no
C158 H158 0.9500 . . no
C160 H160 0.9500 . . no
C162 H162 0.9500 . . no
C10' C95 1.52(3) . . no
C71 C75 1.414(19) . . no
C71 C76 1.51(2) . . no
C71 C72 1.418(19) . . no
C72 C73 1.42(2) . . no
C72 C77 1.51(3) . . no
C73 C78 1.51(3) . . no
C73 C74 1.42(2) . . no
C74 C79 1.53(3) . . no
C74 C75 1.42(2) . . no
C75 C80 1.53(3) . . no
C81 C85 1.39(3) . . no
C81 C86 1.53(4) . . no
C81 C82 1.44(4) . . no
C82 C87 1.45(3) . . no
C82 C83 1.43(3) . . no
C83 C88 1.44(3) . . no
C83 C84 1.43(3) . . no
C84 C85 1.47(3) . . no
C84 C89 1.53(3) . . no
C85 C90 1.49(3) . . no
C91 C96 1.46(3) . . no
C91 C95 1.44(3) . . no
C91 C92 1.40(3) . . no
C92 C97 1.51(3) . . no
C92 C93 1.47(3) . . no
C93 C94 1.38(3) . . no
C93 C98 1.55(3) . . no
C94 C95 1.48(3) . . no
C94 C99 1.50(3) . . no
C10' H10F 0.9800 . . no
C10' H10E 0.9800 . . no
C10' H10D 0.9800 . . no
C76 H76A 0.9800 . . no
C76 H76B 0.9800 . . no
C76 H76C 0.9800 . . no
C77 H77C 0.9800 . . no
C77 H77A 0.9800 . . no
C77 H77B 0.9800 . . no
C78 H78A 0.9800 . . no
C78 H78C 0.9800 . . no
C78 H78B 0.9800 . . no
C79 H79B 0.9800 . . no
C79 H79A 0.9800 . . no
C79 H79C 0.9800 . . no
C80 H80C 0.9800 . . no
C80 H80A 0.9800 . . no
C80 H80B 0.9800 . . no
C86 H86B 0.9800 . . no
C86 H86C 0.9800 . . no
C86 H86A 0.9800 . . no
C87 H87C 0.9800 . . no
C87 H87B 0.9800 . . no
C87 H87A 0.9800 . . no
C88 H88A 0.9800 . . no
C88 H88B 0.9800 . . no
C88 H88C 0.9800 . . no
C89 H89C 0.9800 . . no
C89 H89B 0.9800 . . no
C89 H89A 0.9800 . . no
C90 H90A 0.9800 . . no
C90 H90C 0.9800 . . no
C90 H90B 0.9800 . . no
C96 H96B 0.9800 . . no
C96 H96A 0.9800 . . no
C96 H96C 0.9800 . . no
C97 H97C 0.9800 . . no
C97 H97A 0.9800 . . no
C97 H97B 0.9800 . . no
C98 H98C 0.9800 . . no
C98 H98A 0.9800 . . no
C98 H98B 0.9800 . . no
C99 H99B 0.9800 . . no
C99 H99C 0.9800 . . no
C99 H99A 0.9800 . . no
C21 C26 1.483(19) . . no
C21 C25 1.417(19) . . no
C21 C22 1.412(17) . . no
C22 C23 1.451(18) . . no
C22 C27 1.508(19) . . no
C23 C24 1.40(2) . . no
C23 C28 1.523(19) . . no
C24 C29 1.49(2) . . no
C24 C25 1.40(2) . . no
C25 C30 1.52(2) . . no
C31 C32 1.39(2) . . no
C31 C36 1.47(2) . . no
C31 C35 1.43(2) . . no
C32 C33 1.41(2) . . no
C32 C37 1.54(2) . . no
C33 C38 1.58(2) . . no
C33 C34 1.42(2) . . no
C34 C35 1.40(2) . . no
C34 C39 1.45(2) . . no
C35 C40 1.51(2) . . no
C41 C45 1.40(3) . . no
C41 C46 1.52(3) . . no
C41 C42 1.38(3) . . no
C42 C43 1.38(2) . . no
C42 C47 1.48(3) . . no
C43 C44 1.42(2) . . no
C43 C48 1.53(3) . . no
C44 C49 1.51(3) . . no
C44 C45 1.44(2) . . no
C45 C50 1.55(3) . . no
C26 H26C 0.9800 . . no
C26 H26B 0.9800 . . no
C26 H26A 0.9800 . . no
C27 H27A 0.9800 . . no
C27 H27B 0.9800 . . no
C27 H27C 0.9800 . . no
C28 H28C 0.9800 . . no
C28 H28B 0.9800 . . no
C28 H28A 0.9800 . . no
C29 H29B 0.9800 . . no
C29 H29C 0.9800 . . no
C29 H29A 0.9800 . . no
C30 H30A 0.9800 . . no
C30 H30C 0.9800 . . no
C30 H30B 0.9800 . . no
C36 H36A 0.9800 . . no
C36 H36B 0.9800 . . no
C36 H36C 0.9800 . . no
C37 H37C 0.9800 . . no
C37 H37B 0.9800 . . no
C37 H37A 0.9800 . . no
C38 H38C 0.9800 . . no
C38 H38B 0.9800 . . no
C38 H38A 0.9800 . . no
C39 H39C 0.9800 . . no
C39 H39A 0.9800 . . no
C39 H39B 0.9800 . . no
C40 H40B 0.9800 . . no
C40 H40A 0.9800 . . no
C40 H40C 0.9800 . . no
C46 H46A 0.9800 . . no
C46 H46B 0.9800 . . no
C46 H46C 0.9800 . . no
C47 H47A 0.9800 . . no
C47 H47B 0.9800 . . no
C47 H47C 0.9800 . . no
C48 H48B 0.9800 . . no
C48 H48A 0.9800 . . no
C48 H48C 0.9800 . . no
C49 H49B 0.9800 . . no
C49 H49A 0.9800 . . no
C49 H49C 0.9800 . . no
C50 H50B 0.9800 . . no
C50 H50C 0.9800 . . no
C50 H50A 0.9800 . . no
C10A C95A 1.48(5) . . no
C71A C76A 1.50(3) . . no
C71A C72A 1.41(2) . . no
C71A C75A 1.41(2) . . no
C72A C77A 1.44(3) . . no
C72A C73A 1.41(2) . . no
C73A C74A 1.41(2) . . no
C73A C78A 1.44(3) . . no
C74A C79A 1.47(4) . . no
C74A C75A 1.41(2) . . no
C75A C80A 1.49(4) . . no
C81A C82A 1.43(2) . . no
C81A C86A 1.52(3) . . no
C81A C85A 1.43(2) . . no
C82A C87A 1.49(3) . . no
C82A C83A 1.43(3) . . no
C83A C88A 1.38(4) . . no
C83A C84A 1.43(3) . . no
C84A C85A 1.43(2) . . no
C84A C89A 1.48(4) . . no
C85A C90A 1.50(4) . . no
C91A C95A 1.42(3) . . no
C91A C92A 1.42(3) . . no
C91A C96A 1.51(3) . . no
C92A C97A 1.58(5) . . no
C92A C93A 1.42(3) . . no
C93A C94A 1.42(4) . . no
C93A C98A 1.51(4) . . no
C94A C99A 1.54(5) . . no
C94A C95A 1.42(3) . . no
C10A H10I 0.9800 . . no
C10A H10H 0.9800 . . no
C10A H10G 0.9800 . . no
C76A H76D 0.9800 . . no
C76A H76F 0.9800 . . no
C76A H76E 0.9800 . . no
C77A H77E 0.9800 . . no
C77A H77D 0.9800 . . no
C77A H77F 0.9800 . . no
C78A H78D 0.9800 . . no
C78A H78E 0.9800 . . no
C78A H78F 0.9800 . . no
C79A H79E 0.9800 . . no
C79A H79F 0.9800 . . no
C79A H79D 0.9800 . . no
C80A H80F 0.9800 . . no
C80A H80D 0.9800 . . no
C80A H80E 0.9800 . . no
C86A H86E 0.9800 . . no
C86A H86F 0.9800 . . no
C86A H86D 0.9800 . . no
C87A H87F 0.9800 . . no
C87A H87D 0.9800 . . no
C87A H87E 0.9800 . . no
C88A H88D 0.9800 . . no
C88A H88E 0.9800 . . no
C88A H88F 0.9800 . . no
C89A H89F 0.9800 . . no
C89A H89D 0.9800 . . no
C89A H89E 0.9800 . . no
C90A H90E 0.9800 . . no
C90A H90F 0.9800 . . no
C90A H90D 0.9800 . . no
C96A H96D 0.9800 . . no
C96A H96F 0.9800 . . no
C96A H96E 0.9800 . . no
C97A H97F 0.9800 . . no
C97A H97D 0.9800 . . no
C97A H97E 0.9800 . . no
C98A H98D 0.9800 . . no
C98A H98E 0.9800 . . no
C98A H98F 0.9800 . . no
C99A H99E 0.9800 . . no
C99A H99D 0.9800 . . no
C99A H99F 0.9800 . . no
C1 C6 1.487(17) . . no
C1 C5 1.445(15) . . no
C1 C2 1.405(16) . . no
C2 C3 1.436(15) . . no
C2 C7 1.470(16) . . no
C3 C8 1.523(16) . . no
C3 C4 1.421(15) . . no
C4 C9 1.520(16) . . no
C4 C5 1.436(16) . . no
C5 C10 1.449(17) . . no
C6 H6AC 0.9800 . . no
C6 H6A 0.9800 . . no
C6 H6AB 0.9800 . . no
C7 H7AC 0.9800 . . no
C7 H7AB 0.9800 . . no
C7 H7A 0.9800 . . no
C8 H8A 0.9800 . . no
C8 H8AC 0.9800 . . no
C8 H8AB 0.9800 . . no
C9 H9A 0.9800 . . no
C9 H9AB 0.9800 . . no
C9 H9AC 0.9800 . . no
C10 H10A 0.9800 . . no
C10 H10B 0.9800 . . no
C10 H10C 0.9800 . . no
C11 C15 1.475(18) . . no
C11 C12 1.371(19) . . no
C11 C16 1.50(2) . . no
C12 C13 1.477(17) . . no
C12 C17 1.50(2) . . no
C13 C14 1.406(16) . . no
C13 C18 1.454(18) . . no
C14 C19 1.475(18) . . no
C14 C15 1.429(16) . . no
C15 C20 1.478(18) . . no
C16 H16C 0.9800 . . no
C16 H16A 0.9800 . . no
C16 H16B 0.9800 . . no
C17 H17B 0.9800 . . no
C17 H17A 0.9800 . . no
C17 H17C 0.9800 . . no
C18 H18A 0.9800 . . no
C18 H18B 0.9800 . . no
C18 H18C 0.9800 . . no
C19 H19A 0.9800 . . no
C19 H19B 0.9800 . . no
C19 H19C 0.9800 . . no
C20 H20B 0.9800 . . no
C20 H20C 0.9800 . . no
C20 H20A 0.9800 . . no
C51 C55 1.451(15) . . no
C51 C56 1.536(17) . . no
C51 C52 1.373(15) . . no
C52 C57 1.492(17) . . no
C52 C53 1.446(16) . . no
C53 C54 1.371(16) . . no
C53 C58 1.509(15) . . no
C54 C59 1.515(16) . . no
C54 C55 1.445(16) . . no
C55 C60 1.466(16) . . no
F49 C168 1.39(3) . . yes
C56 H56A 0.9800 . . no
C56 H56B 0.9800 . . no
C56 H56C 0.9800 . . no
C57 H57C 0.9800 . . no
C57 H57B 0.9800 . . no
C57 H57A 0.9800 . . no
C58 H58A 0.9800 . . no
C58 H58B 0.9800 . . no
C58 H58C 0.9800 . . no
C59 H59A 0.9800 . . no
C59 H59B 0.9800 . . no
C59 H59C 0.9800 . . no
C60 H60B 0.9800 . . no
C60 H60A 0.9800 . . no
C60 H60C 0.9800 . . no
C61 C65 1.433(17) . . no
C61 C66 1.502(16) . . no
C61 C62 1.409(18) . . no
C62 C67 1.539(18) . . no
C62 C63 1.410(18) . . no
C63 C64 1.404(16) . . no
C63 C68 1.510(18) . . no
C64 C69 1.53(2) . . no
C64 C65 1.415(18) . . no
C65 C70 1.483(18) . . no
C66 H66B 0.9800 . . no
C66 H66C 0.9800 . . no
C66 H66A 0.9800 . . no
C67 H67A 0.9800 . . no
C67 H67B 0.9800 . . no
C67 H67C 0.9800 . . no
C68 H68A 0.9800 . . no
C68 H68B 0.9800 . . no
C68 H68C 0.9800 . . no
C69 H69B 0.9800 . . no
C69 H69C 0.9800 . . no
C69 H69A 0.9800 . . no
C70 H70B 0.9800 . . no
C70 H70C 0.9800 . . no
C70 H70A 0.9800 . . no
C165 C166 1.41(2) . . no
C165 C170 1.36(3) . . no
C166 C167 1.35(3) . . no
C167 C168 1.40(3) . . no
C168 C169 1.35(3) . . no
C169 C170 1.36(3) . . no
C165 H165 0.9500 . . no
C166 H166 0.9500 . . no
C167 H167 0.9500 . . no
C169 H169 0.9500 . . no
C170 H170 0.9500 . . no

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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cu1 Zn2 Cu2 58.69(17) . . . yes
Cu1 Zn3 C73 160.6(4) . . . yes
Cu1 Zn3 C74 130.8(4) . . . yes
Cu1 Zn3 C75 119.5(4) . . . yes
Cu2 Zn3 C71 139.7(3) . . . yes
Cu2 Zn3 C72 116.1(4) . . . yes
Cu2 Zn3 C73 117.9(4) . . . yes
Cu2 Zn3 C74 145.4(4) . . . yes
Cu2 Zn3 C75 176.1(4) . . . yes
C71 Zn3 C72 37.1(5) . . . yes
C71 Zn3 C73 62.9(5) . . . yes
C71 Zn3 C74 62.8(5) . . . yes
C71 Zn3 C75 37.0(5) . . . yes
C72 Zn3 C73 38.0(6) . . . yes
C72 Zn3 C74 63.5(6) . . . yes
C72 Zn3 C75 62.5(5) . . . yes
C73 Zn3 C74 38.6(6) . . . yes
C73 Zn3 C75 63.5(6) . . . yes
C74 Zn3 C75 37.9(6) . . . yes
Cu1 Zn3 C71 132.4(3) . . . yes
Cu1 Zn3 C72 161.5(4) . . . yes
Cu1 Zn3 Cu2 60.51(9) . . . yes
Cu1 Zn4 Cu2 58.14(17) . . . yes
Zn2 Cu1 Zn3 67.73(14) . . . yes
Zn2 Cu1 Zn4 114.5(2) . . . yes
Zn2 Cu1 C81 148.5(8) . . . yes
Zn2 Cu1 C82 141.9(6) . . . yes
Zn3 Cu1 Zn4 66.05(15) . . . yes
Zn3 Cu1 C81 121.2(7) . . . yes
Zn3 Cu1 C82 150.3(5) . . . yes
Zn3 Cu1 C83 171.2(6) . . . yes
Zn2 Cu1 C83 104.4(5) . . . yes
Zn2 Cu1 C84 88.8(6) . . . yes
Zn2 Cu1 C85 112.1(5) . . . yes
Zn4 Cu1 C82 91.6(6) . . . yes
Zn4 Cu1 C83 122.2(6) . . . yes
Zn4 Cu1 C84 155.2(6) . . . yes
Zn4 Cu1 C85 128.2(6) . . . yes
C81 Cu1 C82 38.2(9) . . . yes
C81 Cu1 C83 63.3(9) . . . yes
C81 Cu1 C84 63.4(9) . . . yes
C81 Cu1 C85 36.6(9) . . . yes
C82 Cu1 C83 38.0(8) . . . yes
C82 Cu1 C84 63.9(8) . . . yes
C82 Cu1 C85 63.3(8) . . . yes
C83 Cu1 C84 38.2(8) . . . yes
C83 Cu1 C85 63.9(8) . . . yes
C84 Cu1 C85 39.0(8) . . . yes
Zn3 Cu1 C85 114.6(6) . . . yes
Zn4 Cu1 C81 95.6(8) . . . yes
Zn3 Cu1 C84 135.1(6) . . . yes
Zn2 Cu2 C91 117.7(5) . . . yes
Zn2 Cu2 C92 149.7(6) . . . yes
Zn2 Cu2 C94 90.2(5) . . . yes
Zn2 Cu2 C95 86.1(5) . . . yes
Zn2 Cu2 C93 124.5(5) . . . yes
Zn3 Cu2 C91 118.2(6) . . . yes
Zn3 Cu2 C92 131.5(6) . . . yes
Zn3 Cu2 C93 164.1(5) . . . yes
Zn3 Cu2 C94 159.1(5) . . . yes
Zn3 Cu2 C95 129.2(6) . . . yes
Zn4 Cu2 C91 115.7(5) . . . yes
Zn3 Cu2 Zn4 67.40(17) . . . yes
Zn2 Cu2 Zn3 69.80(17) . . . yes
Zn2 Cu2 Zn4 122.4(2) . . . yes
Zn4 Cu2 C95 151.5(5) . . . yes
C91 Cu2 C92 37.4(8) . . . yes
C91 Cu2 C93 63.8(8) . . . yes
C91 Cu2 C94 65.1(8) . . . yes
C91 Cu2 C95 38.3(7) . . . yes
C92 Cu2 C93 39.6(8) . . . yes
C92 Cu2 C94 64.8(8) . . . yes
C92 Cu2 C95 63.7(7) . . . yes
C93 Cu2 C94 36.8(7) . . . yes
C93 Cu2 C95 63.2(7) . . . yes
C94 Cu2 C95 39.5(8) . . . yes
Zn4 Cu2 C92 87.9(6) . . . yes
Zn4 Cu2 C93 97.2(5) . . . yes
Zn4 Cu2 C94 131.7(5) . . . yes
Cu3 Zn7 Cu4 56.87(6) . . . yes
C41 Zn8 C42 36.3(7) . . . yes
C41 Zn8 C43 61.3(6) . . . yes
Cu4 Zn8 C45 130.3(5) . . . yes
C42 Zn8 C45 61.7(7) . . . yes
C43 Zn8 C44 37.8(5) . . . yes
C43 Zn8 C45 62.1(6) . . . yes
C44 Zn8 C45 38.5(7) . . . yes
Cu3 Zn8 C44 179.6(3) . . . yes
Cu3 Zn8 C45 141.5(5) . . . yes
Cu4 Zn8 C41 158.9(5) . . . yes
Cu4 Zn8 C42 164.8(5) . . . yes
Cu4 Zn8 C43 135.0(4) . . . yes
Cu4 Zn8 C44 119.0(4) . . . yes
Cu3 Zn8 C42 117.4(5) . . . yes
C41 Zn8 C44 63.5(6) . . . yes
C41 Zn8 C45 37.4(7) . . . yes
C42 Zn8 C43 36.6(6) . . . yes
C42 Zn8 C44 63.0(6) . . . yes
Cu3 Zn8 Cu4 60.65(6) . . . yes
Cu3 Zn8 C41 116.7(5) . . . yes
Cu3 Zn8 C43 142.6(4) . . . yes
Cu3 Zn9 Cu4 56.83(6) . . . yes
Zn7 Cu3 C34 152.5(4) . . . yes
Zn7 Cu3 Zn8 62.55(7) . . . yes
Zn7 Cu3 Zn9 117.82(8) . . . yes
Zn7 Cu3 C31 89.5(4) . . . yes
Zn7 Cu3 C32 100.0(4) . . . yes
Zn7 Cu3 C33 136.7(4) . . . yes
C31 Cu3 C34 64.1(6) . . . yes
C31 Cu3 C35 38.1(6) . . . yes
C32 Cu3 C33 38.0(6) . . . yes
C32 Cu3 C34 64.0(6) . . . yes
C32 Cu3 C35 62.1(6) . . . yes
C33 Cu3 C34 38.0(5) . . . yes
C33 Cu3 C35 61.7(6) . . . yes
C34 Cu3 C35 37.2(6) . . . yes
Zn8 Cu3 C35 120.5(4) . . . yes
Zn9 Cu3 C31 151.5(4) . . . yes
Zn9 Cu3 C32 133.9(4) . . . yes
Zn9 Cu3 C33 97.5(4) . . . yes
Zn9 Cu3 C34 87.7(4) . . . yes
Zn9 Cu3 C35 115.6(4) . . . yes
C31 Cu3 C32 36.9(5) . . . yes
C31 Cu3 C33 62.7(6) . . . yes
Zn8 Cu3 C31 133.0(4) . . . yes
Zn7 Cu3 C35 116.2(4) . . . yes
Zn8 Cu3 Zn9 62.85(7) . . . yes
Zn8 Cu3 C34 130.1(4) . . . yes
Zn8 Cu3 C32 162.2(4) . . . yes
Zn8 Cu3 C33 159.8(4) . . . yes
Zn8 Cu4 C21 116.9(4) . . . yes
Zn7 Cu4 Zn8 61.08(7) . . . yes
Zn7 Cu4 Zn9 109.45(9) . . . yes
Zn7 Cu4 C21 111.4(3) . . . yes
Zn7 Cu4 C22 148.2(4) . . . yes
Zn7 Cu4 C23 150.5(4) . . . yes
Zn7 Cu4 C24 113.6(4) . . . yes
Zn7 Cu4 C25 94.7(4) . . . yes
Zn8 Cu4 Zn9 60.79(7) . . . yes
C23 Cu4 C24 37.1(5) . . . yes
C23 Cu4 C25 62.9(5) . . . yes
C24 Cu4 C25 37.4(6) . . . yes
Zn8 Cu4 C22 120.7(3) . . . yes
Zn8 Cu4 C23 148.4(4) . . . yes
Zn8 Cu4 C24 174.3(4) . . . yes
Zn8 Cu4 C25 138.5(4) . . . yes
Zn9 Cu4 C21 128.4(3) . . . yes
Zn9 Cu4 C22 95.8(3) . . . yes
Zn9 Cu4 C23 93.5(4) . . . yes
Zn9 Cu4 C24 124.5(4) . . . yes
Zn9 Cu4 C25 155.7(4) . . . yes
C21 Cu4 C22 37.2(5) . . . yes
C21 Cu4 C23 63.2(5) . . . yes
C21 Cu4 C24 62.4(5) . . . yes
C21 Cu4 C25 37.5(5) . . . yes
C22 Cu4 C23 38.5(5) . . . yes
C22 Cu4 C24 62.6(5) . . . yes
C22 Cu4 C25 62.6(5) . . . yes
Cu1A Zn2A Cu2A 53.6(2) . . . yes
Cu2A Zn3A C72A 136.5(4) . . . yes
Cu2A Zn3A C74A 121.3(5) . . . yes
Cu2A Zn3A C75A 149.7(5) . . . yes
Cu2A Zn3A C73A 115.7(4) . . . yes
C71A Zn3A C73A 62.8(6) . . . yes
C71A Zn3A C74A 62.6(6) . . . yes
C71A Zn3A C75A 37.4(6) . . . yes
C72A Zn3A C73A 37.6(6) . . . yes
C72A Zn3A C74A 62.8(6) . . . yes
C72A Zn3A C75A 62.7(6) . . . yes
C71A Zn3A C72A 37.6(6) . . . yes
C73A Zn3A C75A 62.7(6) . . . yes
C74A Zn3A C75A 37.4(6) . . . yes
Cu2A Zn3A C71A 172.3(4) . . . yes
Cu1A Zn3A C75A 125.2(4) . . . yes
Cu1A Zn3A C74A 151.7(5) . . . yes
Cu1A Zn3A Cu2A 60.73(13) . . . yes
Cu1A Zn3A C71A 119.5(4) . . . yes
C73A Zn3A C74A 37.6(7) . . . yes
Cu1A Zn3A C73A 170.6(5) . . . yes
Cu1A Zn3A C72A 138.2(4) . . . yes
Cu1A Zn4A Cu2A 55.00(17) . . . yes
C81A Cu1A C82A 37.7(6) . . . yes
Zn4A Cu1A C85A 132.4(4) . . . yes
C83A Cu1A C84A 37.9(7) . . . yes
C81A Cu1A C83A 63.2(7) . . . yes
C81A Cu1A C84A 63.0(6) . . . yes
C81A Cu1A C85A 37.6(5) . . . yes
C82A Cu1A C83A 37.9(7) . . . yes
C82A Cu1A C84A 63.2(7) . . . yes
C82A Cu1A C85A 63.0(7) . . . yes
Zn2A Cu1A Zn4A 98.7(2) . . . yes
Zn2A Cu1A C81A 101.9(4) . . . yes
Zn2A Cu1A C82A 122.9(5) . . . yes
Zn2A Cu1A C83A 160.8(6) . . . yes
Zn2A Cu1A C84A 148.1(5) . . . yes
Zn2A Cu1A C85A 113.2(5) . . . yes
Zn4A Cu1A C84A 99.6(5) . . . yes
Zn3A Cu1A C81A 141.0(4) . . . yes
Zn3A Cu1A C82A 177.2(5) . . . yes
C83A Cu1A C85A 63.1(7) . . . yes
C84A Cu1A C85A 37.6(7) . . . yes
Zn3A Cu1A C84A 119.0(5) . . . yes
Zn3A Cu1A C85A 117.4(4) . . . yes
Zn3A Cu1A Zn4A 55.72(18) . . . yes
Zn2A Cu1A Zn3A 54.3(2) . . . yes
Zn4A Cu1A C83A 96.5(6) . . . yes
Zn4A Cu1A C82A 126.3(5) . . . yes
Zn3A Cu1A C83A 144.9(6) . . . yes
Zn4A Cu1A C81A 159.4(4) . . . yes
C93A Cu2A C95A 63.1(9) . . . yes
C93A Cu2A C94A 37.9(10) . . . yes
Zn3A Cu2A Zn4A 59.23(19) . . . yes
Zn2A Cu2A C95A 100.5(6) . . . yes
Zn3A Cu2A C93A 162.6(7) . . . yes
Zn3A Cu2A C94A 130.9(8) . . . yes
C94A Cu2A C95A 37.3(9) . . . yes
Zn2A Cu2A Zn3A 59.6(2) . . . yes
Zn2A Cu2A Zn4A 117.3(3) . . . yes
Zn3A Cu2A C91A 128.0(5) . . . yes
Zn3A Cu2A C92A 158.8(6) . . . yes
C92A Cu2A C95A 63.4(9) . . . yes
Zn2A Cu2A C92A 141.3(7) . . . yes
Zn2A Cu2A C93A 103.0(8) . . . yes
Zn2A Cu2A C94A 82.2(7) . . . yes
C91A Cu2A C94A 63.0(8) . . . yes
Zn3A Cu2A C95A 116.9(6) . . . yes
Zn4A Cu2A C91A 91.6(5) . . . yes
Zn4A Cu2A C92A 101.0(6) . . . yes
Zn2A Cu2A C91A 138.0(6) . . . yes
C91A Cu2A C95A 37.5(8) . . . yes
C92A Cu2A C93A 38.5(9) . . . yes
C92A Cu2A C94A 63.7(10) . . . yes
C91A Cu2A C93A 63.8(8) . . . yes
Zn4A Cu2A C93A 137.6(8) . . . yes
Zn4A Cu2A C94A 153.8(7) . . . yes
Zn4A Cu2A C95A 117.7(6) . . . yes
C91A Cu2A C92A 38.3(8) . . . yes
C2 Zn10 C3 37.4(4) . . . yes
C1 Zn10 C5 37.7(4) . . . yes
C4 Zn10 C5 37.5(4) . . . yes
C2 Zn10 C5 62.7(4) . . . yes
C2 Zn10 C4 62.8(4) . . . yes
C1 Zn10 C4 62.5(4) . . . yes
C3 Zn10 C5 62.0(4) . . . yes
C3 Zn10 C4 37.1(4) . . . yes
C1 Zn10 C3 61.5(4) . . . yes
C1 Zn10 C2 36.8(4) . . . yes
C11 Zn6 C14 62.8(4) . . . yes
C11 Zn6 C13 62.7(4) . . . yes
C12 Zn6 C15 62.4(5) . . . yes
C12 Zn6 C14 62.4(5) . . . yes
C11 Zn6 C12 35.9(5) . . . yes
C14 Zn6 C15 37.4(4) . . . yes
C13 Zn6 C15 62.6(4) . . . yes
C12 Zn6 C13 38.7(4) . . . yes
C11 Zn6 C15 38.6(5) . . . yes
C13 Zn6 C14 36.7(4) . . . yes
C51 Zn1 C52 35.6(4) . . . yes
C52 Zn1 C54 61.1(4) . . . yes
C51 Zn1 C55 37.8(4) . . . yes
C53 Zn1 C55 61.4(4) . . . yes
C51 Zn1 C53 61.3(4) . . . yes
C53 Zn1 C54 35.7(4) . . . yes
C54 Zn1 C55 37.7(4) . . . yes
C52 Zn1 C55 61.3(4) . . . yes
C52 Zn1 C53 37.4(4) . . . yes
C51 Zn1 C54 62.2(4) . . . yes
C62 Zn5 C65 61.7(4) . . . yes
C62 Zn5 C63 36.8(5) . . . yes
C61 Zn5 C62 36.7(5) . . . yes
C61 Zn5 C63 61.7(4) . . . yes
C61 Zn5 C64 61.7(5) . . . yes
C61 Zn5 C65 37.3(5) . . . yes
C63 Zn5 C64 36.8(4) . . . yes
C63 Zn5 C65 61.9(4) . . . yes
C64 Zn5 C65 37.0(5) . . . yes
C62 Zn5 C64 61.2(5) . . . yes
C106 C101 B1 121.3(9) . . . yes
C102 C101 C106 117.1(10) . . . no
C102 C101 B1 121.2(9) . . . yes
C101 C102 C103 122.2(10) . . . no
C102 C103 C104 119.9(11) . . . no
C102 C103 C107 119.5(10) . . . no
C104 C103 C107 120.5(10) . . . no
C103 C104 C105 119.3(11) . . . no
C104 C105 C108 122.1(12) . . . no
C104 C105 C106 121.7(11) . . . no
C106 C105 C108 116.1(12) . . . no
C101 C106 C105 119.7(11) . . . no
F1 C107 C103 112.4(11) . . . yes
F2 C107 C103 112.0(9) . . . yes
F2 C107 F3 107.2(11) . . . yes
F1 C107 F2 105.1(10) . . . yes
F1 C107 F3 105.8(10) . . . yes
F3 C107 C103 113.7(10) . . . yes
F4 C108 C105 115.7(13) . . . yes
F6 C108 C105 111.5(14) . . . yes
F5 C108 F6 103.0(13) . . . yes
F5 C108 C105 116.2(14) . . . yes
F4 C108 F6 104.9(14) . . . yes
F4 C108 F5 104.3(14) . . . yes
C110 C109 B1 124.0(10) . . . yes
C114 C109 B1 119.5(10) . . . yes
C110 C109 C114 116.1(10) . . . no
C109 C110 C111 121.9(11) . . . no
C110 C111 C112 120.7(13) . . . no
C112 C111 C115 120.2(12) . . . no
C110 C111 C115 119.1(12) . . . no
C111 C112 C113 119.6(14) . . . no
C114 C113 C116 118.1(15) . . . no
C112 C113 C114 119.7(14) . . . no
C112 C113 C116 122.1(15) . . . no
C109 C114 C113 121.9(12) . . . no
F7 C115 F9 105.9(12) . . . yes
F8 C115 C111 113.2(12) . . . yes
F8 C115 F9 104.8(13) . . . yes
F9 C115 C111 113.1(13) . . . yes
F7 C115 F8 105.6(13) . . . yes
F7 C115 C111 113.4(13) . . . yes
F10 C116 F12 101.0(16) . . . yes
F10 C116 F11 102.6(16) . . . yes
F10 C116 C113 110.0(15) . . . yes
F12 C116 C113 113.0(18) . . . yes
F11 C116 F12 115.1(17) . . . yes
F11 C116 C113 113.7(15) . . . yes
C118 C117 B1 123.0(10) . . . yes
C118 C117 C122 115.8(10) . . . no
C122 C117 B1 121.0(10) . . . yes
C117 C118 C119 119.8(11) . . . no
C120 C119 C123 118.9(13) . . . no
C118 C119 C120 123.8(12) . . . no
C118 C119 C123 117.4(13) . . . no
C119 C120 C121 118.3(11) . . . no
C120 C121 C124 122.0(12) . . . no
C120 C121 C122 119.4(11) . . . no
C122 C121 C124 118.6(13) . . . no
C117 C122 C121 122.9(11) . . . no
F13 C123 C119 114.2(15) . . . yes
F14 C123 C119 114.9(14) . . . yes
F13 C123 F14 102.0(14) . . . yes
F13 C123 F15 105.2(14) . . . yes
F15 C123 C119 114.6(14) . . . yes
F14 C123 F15 104.7(14) . . . yes
F18 C124 C121 114.7(15) . . . yes
F16 C124 F17 101.1(13) . . . yes
F17 C124 C121 115.3(15) . . . yes
F16 C124 C121 114.4(13) . . . yes
F17 C124 F18 104.9(14) . . . yes
F16 C124 F18 104.8(14) . . . yes
C126 C125 B1 122.5(10) . . . yes
C130 C125 B1 122.1(10) . . . yes
C126 C125 C130 114.7(10) . . . no
C125 C126 C127 123.7(11) . . . no
C128 C127 C131 118.5(11) . . . no
C126 C127 C131 120.0(12) . . . no
C126 C127 C128 121.4(10) . . . no
C127 C128 C129 116.1(10) . . . no
C128 C129 C132 118.3(10) . . . no
C128 C129 C130 120.3(10) . . . no
C130 C129 C132 121.3(10) . . . no
C125 C130 C129 123.8(10) . . . no
F23 C131 C127 113.8(12) . . . yes
F24 C131 C127 110.7(13) . . . yes
F22 C131 C127 112.1(13) . . . yes
F22 C131 F23 106.5(13) . . . yes
F23 C131 F24 106.0(14) . . . yes
F22 C131 F24 107.3(12) . . . yes
F20 C132 F21 106.1(10) . . . yes
F19 C132 C129 112.1(10) . . . yes
F21 C132 C129 113.4(11) . . . yes
F19 C132 F21 107.9(11) . . . yes
F20 C132 C129 110.8(11) . . . yes
F19 C132 F20 106.1(10) . . . yes
C109 B1 C125 113.8(9) . . . yes
C109 B1 C117 111.5(9) . . . yes
C101 B1 C117 110.3(9) . . . yes
C101 B1 C125 113.7(8) . . . yes
C101 B1 C109 102.9(10) . . . yes
C117 B1 C125 104.8(10) . . . yes
C103 C102 H102 119.00 . . . no
C101 C102 H102 119.00 . . . no
C105 C104 H104 120.00 . . . no
C103 C104 H104 120.00 . . . no
C101 C106 H106 120.00 . . . no
C105 C106 H106 120.00 . . . no
C111 C110 H110 119.00 . . . no
C109 C110 H110 119.00 . . . no
C113 C112 H112 120.00 . . . no
C111 C112 H112 120.00 . . . no
C113 C114 H114 119.00 . . . no
C109 C114 H114 119.00 . . . no
C119 C118 H118 120.00 . . . no
C117 C118 H118 120.00 . . . no
C121 C120 H120 121.00 . . . no
C119 C120 H120 121.00 . . . no
C121 C122 H122 119.00 . . . no
C117 C122 H122 118.00 . . . no
C127 C126 H126 118.00 . . . no
C125 C126 H126 118.00 . . . no
C127 C128 H128 122.00 . . . no
C129 C128 H128 122.00 . . . no
C129 C130 H130 118.00 . . . no
C125 C130 H130 118.00 . . . no
C134 C133 C138 113.6(10) . . . no
C134 C133 B2 124.1(11) . . . yes
C138 C133 B2 121.8(10) . . . yes
C133 C134 C135 122.8(11) . . . no
C134 C135 C139 119.2(11) . . . no
C134 C135 C136 120.7(11) . . . no
C136 C135 C139 120.1(11) . . . no
C135 C136 C137 120.3(11) . . . no
C136 C137 C138 117.5(12) . . . no
C138 C137 C140 121.4(11) . . . no
C136 C137 C140 120.9(11) . . . no
C133 C138 C137 125.1(11) . . . no
F29 C139 C135 112.6(12) . . . yes
F28 C139 F30 106.5(12) . . . yes
F28 C139 F29 106.8(11) . . . yes
F29 C139 F30 105.9(13) . . . yes
F28 C139 C135 113.4(13) . . . yes
F30 C139 C135 111.2(11) . . . yes
F25 C140 F26 108.0(12) . . . yes
F26 C140 F27 107.0(11) . . . yes
F26 C140 C137 110.5(11) . . . yes
F25 C140 C137 112.9(11) . . . yes
F25 C140 F27 105.8(12) . . . yes
F27 C140 C137 112.4(11) . . . yes
C142 C141 C146 114.0(10) . . . no
C142 C141 B2 122.9(10) . . . yes
C146 C141 B2 122.9(10) . . . yes
C141 C142 C143 123.9(12) . . . no
C144 C143 C147 118.6(11) . . . no
C142 C143 C144 120.4(12) . . . no
C142 C143 C147 120.9(12) . . . no
C143 C144 C145 117.4(11) . . . no
C144 C145 C146 122.0(11) . . . no
C144 C145 C148 117.7(11) . . . no
C146 C145 C148 120.0(11) . . . no
C141 C146 C145 122.3(11) . . . no
F32 C147 C143 112.4(11) . . . yes
F31 C147 C143 113.1(11) . . . yes
F32 C147 F33 107.8(11) . . . yes
F33 C147 C143 110.3(11) . . . yes
F31 C147 F32 107.7(11) . . . yes
F31 C147 F33 105.3(11) . . . yes
F34 C148 C145 111.2(11) . . . yes
F34 C148 F35 105.0(12) . . . yes
F36 C148 C145 112.7(11) . . . yes
F34 C148 F36 107.9(11) . . . yes
F35 C148 F36 106.3(11) . . . yes
F35 C148 C145 113.3(11) . . . yes
C150 C149 C154 114.8(10) . . . no
C154 C149 B2 122.8(10) . . . yes
C150 C149 B2 122.3(10) . . . yes
C149 C150 C151 123.2(11) . . . no
C152 C151 C155 119.2(11) . . . no
C150 C151 C152 120.5(11) . . . no
C150 C151 C155 120.2(11) . . . no
C151 C152 C153 117.4(10) . . . no
C154 C153 C156 118.3(11) . . . no
C152 C153 C156 119.9(11) . . . no
C152 C153 C154 121.8(11) . . . no
C149 C154 C153 122.0(11) . . . no
F37 C155 C151 111.2(11) . . . yes
F39 C155 C151 113.2(12) . . . yes
F37 C155 F38 106.2(12) . . . yes
F37 C155 F39 105.9(11) . . . yes
F38 C155 F39 107.7(12) . . . yes
F38 C155 C151 112.1(11) . . . yes
F40 C156 F42 107.9(12) . . . yes
F42 C156 C153 110.8(11) . . . yes
F40 C156 F41 109.0(12) . . . yes
F40 C156 C153 113.2(11) . . . yes
F41 C156 C153 111.5(11) . . . yes
F41 C156 F42 104.0(11) . . . yes
C158 C157 C162 116.3(11) . . . no
C158 C157 B2 123.8(11) . . . yes
C162 C157 B2 119.2(12) . . . yes
C157 C158 C159 121.9(11) . . . no
C158 C159 C160 120.9(12) . . . no
C160 C159 C163 119.7(11) . . . no
C158 C159 C163 119.5(12) . . . no
C159 C160 C161 118.1(11) . . . no
C160 C161 C162 121.3(13) . . . no
C160 C161 C164 118.8(14) . . . no
C162 C161 C164 120.0(14) . . . no
C157 C162 C161 121.5(12) . . . no
F45 C163 C159 112.4(12) . . . yes
F43 C163 F44 103.3(11) . . . yes
F44 C163 C159 111.6(12) . . . yes
F44 C163 F45 106.7(12) . . . yes
F43 C163 F45 108.3(13) . . . yes
F43 C163 C159 114.0(12) . . . yes
F47 C164 F48 100.8(16) . . . yes
F48 C164 C161 121.7(17) . . . yes
F47 C164 C161 111.5(17) . . . yes
F46 C164 C161 115.6(18) . . . yes
F46 C164 F47 98.3(16) . . . yes
F46 C164 F48 105.6(18) . . . yes
C149 B2 C157 110.0(10) . . . yes
C133 B2 C157 103.3(10) . . . yes
C141 B2 C157 113.4(10) . . . yes
C141 B2 C149 104.5(10) . . . yes
C133 B2 C149 110.7(10) . . . yes
C133 B2 C141 115.1(10) . . . yes
C135 C134 H134 119.00 . . . no
C133 C134 H134 118.00 . . . no
C135 C136 H136 120.00 . . . no
C137 C136 H136 120.00 . . . no
C137 C138 H138 118.00 . . . no
C133 C138 H138 117.00 . . . no
C141 C142 H142 118.00 . . . no
C143 C142 H142 118.00 . . . no
C143 C144 H144 121.00 . . . no
C145 C144 H144 121.00 . . . no
C145 C146 H146 119.00 . . . no
C141 C146 H146 119.00 . . . no
C149 C150 H150 118.00 . . . no
C151 C150 H150 118.00 . . . no
C151 C152 H152 121.00 . . . no
C153 C152 H152 121.00 . . . no
C153 C154 H154 119.00 . . . no
C149 C154 H154 119.00 . . . no
C157 C158 H158 119.00 . . . no
C159 C158 H158 119.00 . . . no
C159 C160 H160 121.00 . . . no
C161 C160 H160 121.00 . . . no
C157 C162 H162 120.00 . . . no
C161 C162 H162 119.00 . . . no
Zn3 C71 C75 70.0(8) . . . yes
Zn3 C71 C76 125.7(10) . . . yes
C72 C71 C76 125.9(13) . . . no
Zn3 C71 C72 69.9(8) . . . yes
C72 C71 C75 108.0(12) . . . no
C75 C71 C76 126.2(13) . . . no
C71 C72 C77 122.9(15) . . . no
Zn3 C72 C77 127.1(12) . . . yes
Zn3 C72 C71 73.0(8) . . . yes
Zn3 C72 C73 68.5(8) . . . yes
C71 C72 C73 107.9(12) . . . no
C73 C72 C77 129.1(15) . . . no
C72 C73 C74 108.0(13) . . . no
Zn3 C73 C74 70.8(9) . . . yes
Zn3 C73 C78 130.8(13) . . . yes
C72 C73 C78 124.0(16) . . . no
C74 C73 C78 126.8(16) . . . no
Zn3 C73 C72 73.6(9) . . . yes
C73 C74 C79 122.4(16) . . . no
Zn3 C74 C75 73.5(9) . . . yes
Zn3 C74 C73 70.6(9) . . . yes
C75 C74 C79 128.7(16) . . . no
C73 C74 C75 108.0(14) . . . no
Zn3 C74 C79 130.0(13) . . . yes
C71 C75 C80 123.7(15) . . . no
C71 C75 C74 108.1(13) . . . no
Zn3 C75 C74 68.6(9) . . . yes
Zn3 C75 C71 73.1(8) . . . yes
C74 C75 C80 127.7(15) . . . no
Zn3 C75 C80 130.3(12) . . . yes
C82 C81 C85 110(2) . . . no
C85 C81 C86 125(2) . . . no
Cu1 C81 C86 129.3(17) . . . yes
Cu1 C81 C85 72.5(15) . . . yes
C82 C81 C86 124(2) . . . no
Cu1 C81 C82 71.2(14) . . . yes
C83 C82 C87 124.2(19) . . . no
C81 C82 C87 128(2) . . . no
C81 C82 C83 107(2) . . . no
Cu1 C82 C81 70.6(14) . . . yes
Cu1 C82 C87 130.9(16) . . . yes
Cu1 C82 C83 71.2(12) . . . yes
Cu1 C83 C82 70.9(12) . . . yes
Cu1 C83 C84 69.8(12) . . . yes
C82 C83 C88 125(2) . . . no
Cu1 C83 C88 133.0(16) . . . yes
C84 C83 C88 126.7(19) . . . no
C82 C83 C84 108.0(18) . . . no
C83 C84 C85 107.5(17) . . . no
Cu1 C84 C89 129.7(15) . . . yes
C85 C84 C89 124.2(18) . . . no
C83 C84 C89 127.4(18) . . . no
Cu1 C84 C85 71.9(12) . . . yes
Cu1 C84 C83 72.0(12) . . . yes
Cu1 C85 C90 131.4(15) . . . yes
C81 C85 C84 107.2(19) . . . no
C84 C85 C90 122.0(17) . . . no
Cu1 C85 C81 70.9(14) . . . yes
Cu1 C85 C84 69.1(11) . . . yes
C81 C85 C90 130(2) . . . no
Cu2 C91 C96 133.8(15) . . . yes
Cu2 C91 C92 69.5(12) . . . yes
Cu2 C91 C95 70.1(11) . . . yes
C95 C91 C96 125.0(18) . . . no
C92 C91 C95 107.8(19) . . . no
C92 C91 C96 126.5(19) . . . no
Cu2 C92 C93 71.4(11) . . . yes
C93 C92 C97 126.0(18) . . . no
Cu2 C92 C97 132.4(14) . . . yes
C91 C92 C93 107.9(17) . . . no
Cu2 C92 C91 73.2(11) . . . yes
C91 C92 C97 124.5(19) . . . no
C92 C93 C94 109.4(18) . . . no
C94 C93 C98 124.2(19) . . . no
Cu2 C93 C92 69.0(11) . . . yes
C92 C93 C98 126.4(17) . . . no
Cu2 C93 C94 71.5(11) . . . yes
Cu2 C93 C98 126.1(13) . . . yes
C93 C94 C95 106.7(18) . . . no
C93 C94 C99 127.2(19) . . . no
Cu2 C94 C93 71.7(11) . . . yes
C95 C94 C99 125.0(16) . . . no
Cu2 C94 C99 132.3(14) . . . yes
Cu2 C94 C95 70.2(11) . . . yes
C91 C95 C94 108.2(16) . . . no
C10' C95 C91 124.0(19) . . . no
C10' C95 C94 127.0(17) . . . no
Cu2 C95 C94 70.3(10) . . . yes
Cu2 C95 C10' 131.6(13) . . . yes
Cu2 C95 C91 71.6(11) . . . yes
C95 C10' H10E 110.00 . . . no
H10D C10' H10E 110.00 . . . no
C95 C10' H10F 109.00 . . . no
C95 C10' H10D 109.00 . . . no
H10D C10' H10F 109.00 . . . no
H10E C10' H10F 110.00 . . . no
C71 C76 H76C 109.00 . . . no
C71 C76 H76A 109.00 . . . no
C71 C76 H76B 109.00 . . . no
H76A C76 H76C 109.00 . . . no
H76B C76 H76C 109.00 . . . no
H76A C76 H76B 110.00 . . . no
C72 C77 H77C 109.00 . . . no
H77A C77 H77C 109.00 . . . no
H77A C77 H77B 110.00 . . . no
C72 C77 H77B 109.00 . . . no
C72 C77 H77A 109.00 . . . no
H77B C77 H77C 110.00 . . . no
H78B C78 H78C 110.00 . . . no
H78A C78 H78B 109.00 . . . no
H78A C78 H78C 109.00 . . . no
C73 C78 H78B 109.00 . . . no
C73 C78 H78A 109.00 . . . no
C73 C78 H78C 110.00 . . . no
H79B C79 H79C 110.00 . . . no
H79A C79 H79B 110.00 . . . no
H79A C79 H79C 110.00 . . . no
C74 C79 H79C 109.00 . . . no
C74 C79 H79A 109.00 . . . no
C74 C79 H79B 109.00 . . . no
C75 C80 H80B 109.00 . . . no
C75 C80 H80A 109.00 . . . no
H80B C80 H80C 110.00 . . . no
H80A C80 H80C 109.00 . . . no
H80A C80 H80B 109.00 . . . no
C75 C80 H80C 109.00 . . . no
C81 C86 H86A 110.00 . . . no
H86B C86 H86C 109.00 . . . no
C81 C86 H86B 109.00 . . . no
H86A C86 H86C 110.00 . . . no
H86A C86 H86B 110.00 . . . no
C81 C86 H86C 109.00 . . . no
C82 C87 H87C 110.00 . . . no
H87A C87 H87C 109.00 . . . no
C82 C87 H87A 109.00 . . . no
H87A C87 H87B 109.00 . . . no
C82 C87 H87B 110.00 . . . no
H87B C87 H87C 110.00 . . . no
C83 C88 H88C 109.00 . . . no
C83 C88 H88A 109.00 . . . no
H88B C88 H88C 109.00 . . . no
H88A C88 H88C 110.00 . . . no
H88A C88 H88B 110.00 . . . no
C83 C88 H88B 109.00 . . . no
H89A C89 H89C 109.00 . . . no
H89B C89 H89C 109.00 . . . no
C84 C89 H89C 110.00 . . . no
C84 C89 H89A 109.00 . . . no
C84 C89 H89B 110.00 . . . no
H89A C89 H89B 109.00 . . . no
H90A C90 H90B 110.00 . . . no
H90B C90 H90C 109.00 . . . no
C85 C90 H90B 109.00 . . . no
H90A C90 H90C 109.00 . . . no
C85 C90 H90A 110.00 . . . no
C85 C90 H90C 109.00 . . . no
H96A C96 H96B 110.00 . . . no
H96A C96 H96C 109.00 . . . no
H96B C96 H96C 109.00 . . . no
C91 C96 H96C 109.00 . . . no
C91 C96 H96B 109.00 . . . no
C91 C96 H96A 110.00 . . . no
C92 C97 H97A 109.00 . . . no
H97B C97 H97C 109.00 . . . no
C92 C97 H97C 109.00 . . . no
H97A C97 H97C 109.00 . . . no
C92 C97 H97B 110.00 . . . no
H97A C97 H97B 110.00 . . . no
C93 C98 H98A 109.00 . . . no
H98A C98 H98B 109.00 . . . no
H98A C98 H98C 110.00 . . . no
H98B C98 H98C 109.00 . . . no
C93 C98 H98B 110.00 . . . no
C93 C98 H98C 110.00 . . . no
H99A C99 H99C 109.00 . . . no
C94 C99 H99C 109.00 . . . no
C94 C99 H99A 110.00 . . . no
H99A C99 H99B 110.00 . . . no
H99B C99 H99C 109.00 . . . no
C94 C99 H99B 110.00 . . . no
C22 C21 C26 129.3(12) . . . no
Cu4 C21 C22 70.7(7) . . . yes
Cu4 C21 C25 69.7(7) . . . yes
Cu4 C21 C26 130.4(10) . . . yes
C22 C21 C25 107.4(11) . . . no
C25 C21 C26 122.9(12) . . . no
C21 C22 C23 107.9(11) . . . no
Cu4 C22 C23 70.2(7) . . . yes
C21 C22 C27 124.7(12) . . . no
Cu4 C22 C21 72.1(7) . . . yes
C23 C22 C27 127.2(12) . . . no
Cu4 C22 C27 126.9(9) . . . yes
C24 C23 C28 126.0(13) . . . no
C22 C23 C28 126.6(13) . . . no
C22 C23 C24 106.8(12) . . . no
Cu4 C23 C22 71.3(6) . . . yes
Cu4 C23 C28 129.1(9) . . . yes
Cu4 C23 C24 71.6(7) . . . yes
Cu4 C24 C25 70.8(8) . . . yes
C23 C24 C29 125.0(15) . . . no
Cu4 C24 C23 71.4(7) . . . yes
C25 C24 C29 125.4(15) . . . no
C23 C24 C25 109.3(12) . . . no
Cu4 C24 C29 129.0(10) . . . yes
C21 C25 C30 123.3(12) . . . no
Cu4 C25 C30 128.3(10) . . . yes
C21 C25 C24 108.5(12) . . . no
Cu4 C25 C24 71.8(7) . . . yes
C24 C25 C30 127.6(13) . . . no
Cu4 C25 C21 72.8(8) . . . yes
C35 C31 C36 126.0(14) . . . no
C32 C31 C35 106.0(13) . . . no
C32 C31 C36 127.0(14) . . . no
Cu3 C31 C35 70.5(9) . . . yes
Cu3 C31 C36 132.3(11) . . . yes
Cu3 C31 C32 70.4(8) . . . yes
Cu3 C32 C31 72.7(9) . . . yes
C31 C32 C37 124.6(14) . . . no
C33 C32 C37 126.5(14) . . . no
C31 C32 C33 108.6(13) . . . no
Cu3 C32 C33 70.6(8) . . . yes
Cu3 C32 C37 128.2(11) . . . yes
Cu3 C33 C34 72.4(9) . . . yes
Cu3 C33 C38 129.8(10) . . . yes
Cu3 C33 C32 71.4(9) . . . yes
C32 C33 C34 109.8(13) . . . no
C34 C33 C38 123.6(13) . . . no
C32 C33 C38 126.0(13) . . . no
Cu3 C34 C39 134.1(11) . . . yes
C33 C34 C39 125.3(14) . . . no
Cu3 C34 C35 71.0(9) . . . yes
C33 C34 C35 104.7(13) . . . no
Cu3 C34 C33 69.6(9) . . . yes
C35 C34 C39 128.5(14) . . . no
C31 C35 C34 111.0(13) . . . no
Cu3 C35 C40 130.6(12) . . . yes
Cu3 C35 C34 71.8(9) . . . yes
C34 C35 C40 123.5(15) . . . no
Cu3 C35 C31 71.5(8) . . . yes
C31 C35 C40 125.0(15) . . . no
Zn8 C41 C45 69.5(10) . . . yes
C42 C41 C45 107.7(17) . . . no
Zn8 C41 C46 126.6(14) . . . yes
Zn8 C41 C42 71.7(11) . . . yes
C45 C41 C46 131.8(18) . . . no
C42 C41 C46 120.5(18) . . . no
C41 C42 C43 108.5(16) . . . no
C41 C42 C47 123.9(18) . . . no
Zn8 C42 C47 130.8(14) . . . yes
Zn8 C42 C43 70.5(10) . . . yes
Zn8 C42 C41 72.0(11) . . . yes
C43 C42 C47 126.9(18) . . . no
C42 C43 C44 111.1(14) . . . no
C42 C43 C48 126.8(15) . . . no
Zn8 C43 C48 129.8(12) . . . yes
Zn8 C43 C42 72.9(10) . . . yes
Zn8 C43 C44 72.5(9) . . . yes
C44 C43 C48 121.3(15) . . . no
C45 C44 C49 134.4(16) . . . no
C43 C44 C49 121.9(16) . . . no
Zn8 C44 C45 69.0(10) . . . yes
Zn8 C44 C43 69.7(9) . . . yes
C43 C44 C45 102.9(14) . . . no
Zn8 C44 C49 131.8(13) . . . yes
C44 C45 C50 115.9(18) . . . no
Zn8 C45 C41 73.1(11) . . . yes
C41 C45 C50 133.6(19) . . . no
C41 C45 C44 109.8(15) . . . no
Zn8 C45 C44 72.5(10) . . . yes
Zn8 C45 C50 127.8(15) . . . yes
C21 C26 H26B 110.00 . . . no
C21 C26 H26A 109.00 . . . no
H26B C26 H26C 110.00 . . . no
C21 C26 H26C 109.00 . . . no
H26A C26 H26C 109.00 . . . no
H26A C26 H26B 110.00 . . . no
C22 C27 H27A 109.00 . . . no
C22 C27 H27C 109.00 . . . no
H27B C27 H27C 109.00 . . . no
H27A C27 H27C 110.00 . . . no
C22 C27 H27B 109.00 . . . no
H27A C27 H27B 110.00 . . . no
H28A C28 H28C 110.00 . . . no
C23 C28 H28C 109.00 . . . no
H28A C28 H28B 110.00 . . . no
C23 C28 H28A 110.00 . . . no
C23 C28 H28B 109.00 . . . no
H28B C28 H28C 109.00 . . . no
H29B C29 H29C 109.00 . . . no
C24 C29 H29A 110.00 . . . no
C24 C29 H29C 110.00 . . . no
H29A C29 H29C 109.00 . . . no
C24 C29 H29B 110.00 . . . no
H29A C29 H29B 109.00 . . . no
C25 C30 H30B 109.00 . . . no
H30B C30 H30C 110.00 . . . no
C25 C30 H30A 110.00 . . . no
H30A C30 H30C 110.00 . . . no
H30A C30 H30B 109.00 . . . no
C25 C30 H30C 109.00 . . . no
C31 C36 H36A 109.00 . . . no
C31 C36 H36B 109.00 . . . no
H36A C36 H36B 110.00 . . . no
H36B C36 H36C 109.00 . . . no
C31 C36 H36C 109.00 . . . no
H36A C36 H36C 110.00 . . . no
C32 C37 H37B 109.00 . . . no
H37A C37 H37B 110.00 . . . no
C32 C37 H37A 109.00 . . . no
H37B C37 H37C 110.00 . . . no
H37A C37 H37C 110.00 . . . no
C32 C37 H37C 109.00 . . . no
C33 C38 H38C 109.00 . . . no
H38A C38 H38C 110.00 . . . no
H38A C38 H38B 109.00 . . . no
C33 C38 H38A 110.00 . . . no
C33 C38 H38B 109.00 . . . no
H38B C38 H38C 110.00 . . . no
H39B C39 H39C 109.00 . . . no
H39A C39 H39C 110.00 . . . no
H39A C39 H39B 109.00 . . . no
C34 C39 H39C 110.00 . . . no
C34 C39 H39B 109.00 . . . no
C34 C39 H39A 109.00 . . . no
H40B C40 H40C 110.00 . . . no
C35 C40 H40A 109.00 . . . no
H40A C40 H40C 110.00 . . . no
C35 C40 H40C 110.00 . . . no
H40A C40 H40B 109.00 . . . no
C35 C40 H40B 109.00 . . . no
H46B C46 H46C 110.00 . . . no
H46A C46 H46B 110.00 . . . no
C41 C46 H46A 109.00 . . . no
H46A C46 H46C 109.00 . . . no
C41 C46 H46B 109.00 . . . no
C41 C46 H46C 110.00 . . . no
C42 C47 H47A 110.00 . . . no
H47A C47 H47C 109.00 . . . no
H47B C47 H47C 109.00 . . . no
H47A C47 H47B 109.00 . . . no
C42 C47 H47B 109.00 . . . no
C42 C47 H47C 109.00 . . . no
C43 C48 H48B 109.00 . . . no
H48A C48 H48C 109.00 . . . no
H48A C48 H48B 110.00 . . . no
C43 C48 H48A 109.00 . . . no
H48B C48 H48C 110.00 . . . no
C43 C48 H48C 109.00 . . . no
H49A C49 H49C 109.00 . . . no
H49A C49 H49B 109.00 . . . no
C44 C49 H49C 110.00 . . . no
C44 C49 H49A 109.00 . . . no
C44 C49 H49B 109.00 . . . no
H49B C49 H49C 110.00 . . . no
H50B C50 H50C 110.00 . . . no
H50A C50 H50C 110.00 . . . no
C45 C50 H50C 109.00 . . . no
C45 C50 H50B 109.00 . . . no
C45 C50 H50A 109.00 . . . no
H50A C50 H50B 109.00 . . . no
C75A C71A C76A 126.0(16) . . . no
C72A C71A C76A 126.0(16) . . . no
Zn3A C71A C75A 71.5(10) . . . yes
Zn3A C71A C72A 70.9(9) . . . yes
Zn3A C71A C76A 123.3(13) . . . yes
C72A C71A C75A 108.0(13) . . . no
Zn3A C72A C77A 129.6(14) . . . yes
Zn3A C72A C71A 71.5(9) . . . yes
Zn3A C72A C73A 71.1(9) . . . yes
C71A C72A C77A 125.3(16) . . . no
C73A C72A C77A 126.3(16) . . . no
C71A C72A C73A 107.9(14) . . . no
C72A C73A C74A 108.1(14) . . . no
C74A C73A C78A 129.6(17) . . . no
C72A C73A C78A 122.0(17) . . . no
Zn3A C73A C74A 71.5(10) . . . yes
Zn3A C73A C78A 127.6(15) . . . yes
Zn3A C73A C72A 71.3(9) . . . yes
Zn3A C74A C79A 130.7(17) . . . yes
Zn3A C74A C73A 70.9(11) . . . yes
C75A C74A C79A 127(2) . . . no
C73A C74A C75A 108.0(15) . . . no
Zn3A C74A C75A 71.5(11) . . . yes
C73A C74A C79A 124.3(19) . . . no
Zn3A C75A C80A 130.1(18) . . . yes
C71A C75A C80A 122.2(18) . . . no
Zn3A C75A C74A 71.1(11) . . . yes
Zn3A C75A C71A 71.1(10) . . . yes
C71A C75A C74A 108.0(15) . . . no
C74A C75A C80A 129(2) . . . no
C82A C81A C86A 126.1(15) . . . no
C82A C81A C85A 108.0(13) . . . no
Cu1A C81A C85A 71.4(10) . . . yes
C85A C81A C86A 125.9(15) . . . no
Cu1A C81A C86A 123.8(12) . . . yes
Cu1A C81A C82A 70.6(9) . . . yes
Cu1A C82A C81A 71.8(9) . . . yes
C83A C82A C87A 126.8(18) . . . no
C81A C82A C87A 124.3(17) . . . no
Cu1A C82A C87A 131.4(17) . . . yes
C81A C82A C83A 108.1(15) . . . no
Cu1A C82A C83A 70.8(11) . . . yes
Cu1A C83A C82A 71.3(11) . . . yes
C82A C83A C84A 108.0(16) . . . no
Cu1A C83A C84A 71.6(11) . . . yes
Cu1A C83A C88A 127.5(18) . . . yes
C82A C83A C88A 125(2) . . . no
C84A C83A C88A 127(2) . . . no
C83A C84A C85A 108.0(16) . . . no
Cu1A C84A C85A 71.8(12) . . . yes
Cu1A C84A C89A 127.8(17) . . . yes
C85A C84A C89A 126(2) . . . no
C83A C84A C89A 125(2) . . . no
Cu1A C84A C83A 70.6(12) . . . yes
Cu1A C85A C84A 70.6(12) . . . yes
C84A C85A C90A 132(2) . . . no
C81A C85A C90A 120(2) . . . no
Cu1A C85A C90A 128.2(17) . . . yes
C81A C85A C84A 107.9(15) . . . no
Cu1A C85A C81A 71.0(10) . . . yes
C92A C91A C96A 126(2) . . . no
Cu2A C91A C92A 69.3(12) . . . yes
C92A C91A C95A 108.0(18) . . . no
C95A C91A C96A 126(2) . . . no
Cu2A C91A C96A 123.5(15) . . . yes
Cu2A C91A C95A 72.9(12) . . . yes
C93A C92A C97A 131(2) . . . no
C91A C92A C97A 120(2) . . . no
Cu2A C92A C91A 72.4(13) . . . yes
Cu2A C92A C93A 71.3(15) . . . yes
C91A C92A C93A 108(2) . . . no
Cu2A C92A C97A 129.6(19) . . . yes
C92A C93A C98A 128(3) . . . no
C92A C93A C94A 108(2) . . . no
Cu2A C93A C92A 70.2(14) . . . yes
C94A C93A C98A 123(3) . . . no
Cu2A C93A C98A 131(2) . . . yes
Cu2A C93A C94A 73.1(15) . . . yes
C93A C94A C95A 108(2) . . . no
Cu2A C94A C99A 128(2) . . . yes
C95A C94A C99A 120(3) . . . no
C93A C94A C99A 133(2) . . . no
Cu2A C94A C95A 71.9(13) . . . yes
Cu2A C94A C93A 69.0(14) . . . yes
C91A C95A C94A 108(2) . . . no
C10A C95A C91A 129(2) . . . no
Cu2A C95A C91A 69.7(12) . . . yes
C10A C95A C94A 122(3) . . . no
Cu2A C95A C10A 134(2) . . . yes
Cu2A C95A C94A 70.8(14) . . . yes
C95A C10A H10G 110.00 . . . no
C95A C10A H10I 109.00 . . . no
H10G C10A H10H 110.00 . . . no
H10H C10A H10I 109.00 . . . no
H10G C10A H10I 109.00 . . . no
C95A C10A H10H 110.00 . . . no
H76D C76A H76E 109.00 . . . no
C71A C76A H76F 109.00 . . . no
C71A C76A H76E 109.00 . . . no
C71A C76A H76D 109.00 . . . no
H76D C76A H76F 110.00 . . . no
H76E C76A H76F 110.00 . . . no
H77D C77A H77F 109.00 . . . no
C72A C77A H77D 110.00 . . . no
H77D C77A H77E 109.00 . . . no
C72A C77A H77F 109.00 . . . no
C72A C77A H77E 109.00 . . . no
H77E C77A H77F 109.00 . . . no
H78D C78A H78E 109.00 . . . no
H78D C78A H78F 109.00 . . . no
C73A C78A H78F 110.00 . . . no
C73A C78A H78E 110.00 . . . no
H78E C78A H78F 110.00 . . . no
C73A C78A H78D 109.00 . . . no
C74A C79A H79E 109.00 . . . no
H79E C79A H79F 110.00 . . . no
H79D C79A H79E 109.00 . . . no
C74A C79A H79F 110.00 . . . no
H79D C79A H79F 110.00 . . . no
C74A C79A H79D 109.00 . . . no
C75A C80A H80D 109.00 . . . no
H80E C80A H80F 109.00 . . . no
H80D C80A H80E 109.00 . . . no
H80D C80A H80F 109.00 . . . no
C75A C80A H80E 110.00 . . . no
C75A C80A H80F 110.00 . . . no
C81A C86A H86E 109.00 . . . no
C81A C86A H86F 109.00 . . . no
H86E C86A H86F 109.00 . . . no
H86D C86A H86E 109.00 . . . no
H86D C86A H86F 110.00 . . . no
C81A C86A H86D 110.00 . . . no
C82A C87A H87E 109.00 . . . no
H87E C87A H87F 110.00 . . . no
C82A C87A H87D 109.00 . . . no
H87D C87A H87F 109.00 . . . no
C82A C87A H87F 110.00 . . . no
H87D C87A H87E 109.00 . . . no
H88E C88A H88F 109.00 . . . no
H88D C88A H88E 109.00 . . . no
C83A C88A H88E 110.00 . . . no
H88D C88A H88F 109.00 . . . no
C83A C88A H88F 109.00 . . . no
C83A C88A H88D 110.00 . . . no
H89D C89A H89F 110.00 . . . no
H89D C89A H89E 109.00 . . . no
C84A C89A H89E 109.00 . . . no
C84A C89A H89D 109.00 . . . no
C84A C89A H89F 109.00 . . . no
H89E C89A H89F 110.00 . . . no
H90D C90A H90F 110.00 . . . no
H90D C90A H90E 109.00 . . . no
H90E C90A H90F 109.00 . . . no
C85A C90A H90F 109.00 . . . no
C85A C90A H90E 110.00 . . . no
C85A C90A H90D 109.00 . . . no
H96E C96A H96F 109.00 . . . no
H96D C96A H96E 109.00 . . . no
C91A C96A H96F 109.00 . . . no
C91A C96A H96D 110.00 . . . no
H96D C96A H96F 110.00 . . . no
C91A C96A H96E 110.00 . . . no
C92A C97A H97D 110.00 . . . no
H97D C97A H97F 109.00 . . . no
C92A C97A H97E 110.00 . . . no
H97E C97A H97F 109.00 . . . no
H97D C97A H97E 110.00 . . . no
C92A C97A H97F 109.00 . . . no
C93A C98A H98D 109.00 . . . no
C93A C98A H98E 109.00 . . . no
H98E C98A H98F 109.00 . . . no
C93A C98A H98F 110.00 . . . no
H98D C98A H98E 109.00 . . . no
H98D C98A H98F 110.00 . . . no
H99E C99A H99F 109.00 . . . no
H99D C99A H99F 109.00 . . . no
C94A C99A H99F 109.00 . . . no
H99D C99A H99E 110.00 . . . no
C94A C99A H99D 110.00 . . . no
C94A C99A H99E 109.00 . . . no
Zn10 C1 C5 71.7(6) . . . yes
Zn10 C1 C2 71.5(7) . . . yes
C2 C1 C6 126.5(11) . . . no
C5 C1 C6 123.9(10) . . . no
C2 C1 C5 109.4(10) . . . no
Zn10 C1 C6 127.7(8) . . . yes
Zn10 C2 C7 125.7(9) . . . yes
Zn10 C2 C3 72.1(6) . . . yes
C3 C2 C7 125.0(11) . . . no
Zn10 C2 C1 71.8(7) . . . yes
C1 C2 C7 127.4(11) . . . no
C1 C2 C3 107.4(9) . . . no
C4 C3 C8 126.3(10) . . . no
C2 C3 C8 125.1(10) . . . no
Zn10 C3 C2 70.5(6) . . . yes
C2 C3 C4 108.5(9) . . . no
Zn10 C3 C4 70.5(6) . . . yes
Zn10 C3 C8 126.8(7) . . . yes
C3 C4 C5 108.2(9) . . . no
Zn10 C4 C3 72.4(6) . . . yes
C3 C4 C9 125.2(10) . . . no
Zn10 C4 C9 126.1(8) . . . yes
Zn10 C4 C5 72.1(6) . . . yes
C5 C4 C9 126.3(10) . . . no
C1 C5 C4 106.5(9) . . . no
C1 C5 C10 126.5(10) . . . no
Zn10 C5 C10 127.3(8) . . . yes
Zn10 C5 C4 70.4(6) . . . yes
Zn10 C5 C1 70.6(6) . . . yes
C4 C5 C10 126.9(10) . . . no
H6AB C6 H6AC 109.00 . . . no
H6AB C6 H6A 110.00 . . . no
C1 C6 H6A 110.00 . . . no
C1 C6 H6AC 109.00 . . . no
H6AC C6 H6A 109.00 . . . no
C1 C6 H6AB 109.00 . . . no
H7AC C7 H7A 109.00 . . . no
H7AB C7 H7A 109.00 . . . no
H7AB C7 H7AC 109.00 . . . no
C2 C7 H7AB 110.00 . . . no
C2 C7 H7AC 110.00 . . . no
C2 C7 H7A 110.00 . . . no
H8AB C8 H8A 109.00 . . . no
H8AB C8 H8AC 110.00 . . . no
C3 C8 H8AB 110.00 . . . no
H8AC C8 H8A 109.00 . . . no
C3 C8 H8AC 110.00 . . . no
C3 C8 H8A 109.00 . . . no
H9AB C9 H9A 110.00 . . . no
C4 C9 H9AC 109.00 . . . no
C4 C9 H9A 109.00 . . . no
H9AC C9 H9A 109.00 . . . no
C4 C9 H9AB 110.00 . . . no
H9AB C9 H9AC 109.00 . . . no
H10A C10 H10C 110.00 . . . no
H10B C10 H10C 109.00 . . . no
H10A C10 H10B 109.00 . . . no
C5 C10 H10C 109.00 . . . no
C5 C10 H10A 109.00 . . . no
C5 C10 H10B 109.00 . . . no
Zn6 C11 C12 71.6(8) . . . yes
Zn6 C11 C15 70.7(7) . . . yes
Zn6 C11 C16 126.5(9) . . . yes
C15 C11 C16 122.8(12) . . . no
C12 C11 C16 128.9(14) . . . no
C12 C11 C15 108.1(11) . . . no
C13 C12 C17 124.2(12) . . . no
Zn6 C12 C17 126.3(10) . . . yes
C11 C12 C13 109.4(12) . . . no
Zn6 C12 C13 71.3(7) . . . yes
Zn6 C12 C11 72.6(8) . . . yes
C11 C12 C17 126.2(13) . . . no
Zn6 C13 C18 125.0(9) . . . yes
C12 C13 C14 106.1(10) . . . no
Zn6 C13 C14 71.3(7) . . . yes
C12 C13 C18 124.7(11) . . . no
C14 C13 C18 129.1(11) . . . no
Zn6 C13 C12 70.0(7) . . . yes
Zn6 C14 C15 71.4(7) . . . yes
Zn6 C14 C19 126.6(8) . . . yes
Zn6 C14 C13 72.0(7) . . . yes
C13 C14 C19 124.4(11) . . . no
C13 C14 C15 110.0(10) . . . no
C15 C14 C19 125.5(10) . . . no
Zn6 C15 C20 128.0(9) . . . yes
C11 C15 C14 106.3(10) . . . no
C11 C15 C20 126.3(11) . . . no
Zn6 C15 C11 70.7(7) . . . yes
Zn6 C15 C14 71.2(6) . . . yes
C14 C15 C20 127.0(11) . . . no
H16A C16 H16B 109.00 . . . no
H16B C16 H16C 109.00 . . . no
C11 C16 H16C 109.00 . . . no
H16A C16 H16C 110.00 . . . no
C11 C16 H16B 110.00 . . . no
C11 C16 H16A 109.00 . . . no
C12 C17 H17A 110.00 . . . no
H17A C17 H17C 109.00 . . . no
H17A C17 H17B 109.00 . . . no
C12 C17 H17B 110.00 . . . no
H17B C17 H17C 109.00 . . . no
C12 C17 H17C 110.00 . . . no
C13 C18 H18A 109.00 . . . no
C13 C18 H18B 110.00 . . . no
H18A C18 H18C 109.00 . . . no
C13 C18 H18C 109.00 . . . no
H18B C18 H18C 110.00 . . . no
H18A C18 H18B 110.00 . . . no
C14 C19 H19C 109.00 . . . no
H19A C19 H19B 109.00 . . . no
H19A C19 H19C 110.00 . . . no
C14 C19 H19B 110.00 . . . no
H19B C19 H19C 109.00 . . . no
C14 C19 H19A 109.00 . . . no
H20B C20 H20C 109.00 . . . no
H20A C20 H20B 109.00 . . . no
H20A C20 H20C 109.00 . . . no
C15 C20 H20A 110.00 . . . no
C15 C20 H20B 109.00 . . . no
C15 C20 H20C 110.00 . . . no
Zn1 C51 C52 72.9(7) . . . yes
Zn1 C51 C55 71.6(6) . . . yes
Zn1 C51 C56 123.8(7) . . . yes
C52 C51 C55 108.7(10) . . . no
C55 C51 C56 124.7(10) . . . no
C52 C51 C56 126.6(10) . . . no
C51 C52 C53 108.6(10) . . . no
C51 C52 C57 127.1(11) . . . no
Zn1 C52 C57 123.8(8) . . . yes
Zn1 C52 C53 71.1(7) . . . yes
Zn1 C52 C51 71.5(6) . . . yes
C53 C52 C57 124.3(10) . . . no
Zn1 C53 C52 71.4(6) . . . yes
Zn1 C53 C54 71.3(7) . . . yes
C52 C53 C58 126.1(11) . . . no
C54 C53 C58 125.9(11) . . . no
Zn1 C53 C58 125.9(8) . . . yes
C52 C53 C54 107.9(10) . . . no
Zn1 C54 C59 127.7(8) . . . yes
Zn1 C54 C53 73.1(7) . . . yes
Zn1 C54 C55 71.9(6) . . . yes
C55 C54 C59 122.7(10) . . . no
C53 C54 C55 109.3(10) . . . no
C53 C54 C59 127.4(11) . . . no
Zn1 C55 C54 70.4(6) . . . yes
C51 C55 C60 126.1(10) . . . no
Zn1 C55 C60 125.9(8) . . . yes
C51 C55 C54 105.5(9) . . . no
Zn1 C55 C51 70.7(6) . . . yes
C54 C55 C60 128.3(11) . . . no
C51 C56 H56B 109.00 . . . no
C51 C56 H56C 110.00 . . . no
C51 C56 H56A 110.00 . . . no
H56A C56 H56C 109.00 . . . no
H56B C56 H56C 109.00 . . . no
H56A C56 H56B 109.00 . . . no
H57A C57 H57B 109.00 . . . no
H57A C57 H57C 110.00 . . . no
H57B C57 H57C 109.00 . . . no
C52 C57 H57A 110.00 . . . no
C52 C57 H57B 109.00 . . . no
C52 C57 H57C 109.00 . . . no
C53 C58 H58A 109.00 . . . no
C53 C58 H58B 109.00 . . . no
C53 C58 H58C 110.00 . . . no
H58B C58 H58C 110.00 . . . no
H58A C58 H58B 109.00 . . . no
H58A C58 H58C 109.00 . . . no
C54 C59 H59A 109.00 . . . no
H59A C59 H59B 109.00 . . . no
C54 C59 H59B 109.00 . . . no
C54 C59 H59C 109.00 . . . no
H59B C59 H59C 110.00 . . . no
H59A C59 H59C 110.00 . . . no
C55 C60 H60C 110.00 . . . no
C55 C60 H60B 109.00 . . . no
H60B C60 H60C 109.00 . . . no
H60A C60 H60B 110.00 . . . no
H60A C60 H60C 109.00 . . . no
C55 C60 H60A 110.00 . . . no
Zn5 C61 C62 71.7(7) . . . yes
Zn5 C61 C65 71.6(7) . . . yes
Zn5 C61 C66 126.3(10) . . . yes
C62 C61 C65 107.9(10) . . . no
C62 C61 C66 126.8(13) . . . no
C65 C61 C66 125.1(12) . . . no
Zn5 C62 C61 71.6(7) . . . yes
Zn5 C62 C63 71.7(7) . . . yes
Zn5 C62 C67 125.8(8) . . . yes
C61 C62 C63 108.9(10) . . . no
C61 C62 C67 127.1(12) . . . no
C63 C62 C67 123.9(12) . . . no
Zn5 C63 C62 71.6(7) . . . yes
Zn5 C63 C64 70.6(7) . . . yes
Zn5 C63 C68 124.6(8) . . . yes
C62 C63 C64 107.1(11) . . . no
C62 C63 C68 125.1(11) . . . no
C64 C63 C68 127.7(11) . . . no
Zn5 C64 C63 72.6(7) . . . yes
Zn5 C64 C65 72.7(7) . . . yes
Zn5 C64 C69 124.4(8) . . . yes
C63 C64 C65 109.7(11) . . . no
C63 C64 C69 126.0(12) . . . no
C65 C64 C69 124.2(11) . . . no
Zn5 C65 C61 71.1(7) . . . yes
Zn5 C65 C64 70.3(6) . . . yes
Zn5 C65 C70 125.8(9) . . . yes
C61 C65 C64 106.4(10) . . . no
C61 C65 C70 126.7(11) . . . no
C64 C65 C70 126.9(11) . . . no
C61 C66 H66A 110.00 . . . no
C61 C66 H66B 110.00 . . . no
C61 C66 H66C 110.00 . . . no
H66A C66 H66B 109.00 . . . no
H66A C66 H66C 109.00 . . . no
H66B C66 H66C 109.00 . . . no
C62 C67 H67A 109.00 . . . no
C62 C67 H67B 109.00 . . . no
C62 C67 H67C 110.00 . . . no
H67A C67 H67B 109.00 . . . no
H67A C67 H67C 109.00 . . . no
H67B C67 H67C 110.00 . . . no
C63 C68 H68A 109.00 . . . no
C63 C68 H68B 110.00 . . . no
C63 C68 H68C 110.00 . . . no
H68A C68 H68B 109.00 . . . no
H68A C68 H68C 109.00 . . . no
H68B C68 H68C 110.00 . . . no
C64 C69 H69A 109.00 . . . no
C64 C69 H69B 109.00 . . . no
C64 C69 H69C 109.00 . . . no
H69A C69 H69B 110.00 . . . no
H69A C69 H69C 109.00 . . . no
H69B C69 H69C 110.00 . . . no
C65 C70 H70A 109.00 . . . no
C65 C70 H70B 109.00 . . . no
C65 C70 H70C 110.00 . . . no
H70A C70 H70B 110.00 . . . no
H70A C70 H70C 110.00 . . . no
H70B C70 H70C 109.00 . . . no
C166 C165 C170 114.4(17) . . . no
C165 C166 C167 123.0(17) . . . no
C166 C167 C168 118.4(18) . . . no
F49 C168 C167 115.7(17) . . . yes
F49 C168 C169 121.7(18) . . . yes
C167 C168 C169 121(2) . . . no
C168 C169 C170 118.3(19) . . . no
C165 C170 C169 124.9(18) . . . no
C166 C165 H165 123.00 . . . no
C170 C165 H165 123.00 . . . no
C165 C166 H166 118.00 . . . no
C167 C166 H166 119.00 . . . no
C166 C167 H167 121.00 . . . no
C168 C167 H167 121.00 . . . no
C168 C169 H169 121.00 . . . no
C170 C169 H169 121.00 . . . no
C165 C170 H170 118.00 . . . no
C169 C170 H170 117.00 . . . no

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 Zn2 Cu2 C95 160.1(6) . . . . no
Cu1 Zn2 Cu2 C94 120.8(6) . . . . no
Cu2 Zn2 Cu1 C84 -152.1(6) . . . . no
Cu2 Zn2 Cu1 C85 175.8(6) . . . . no
Cu2 Zn2 Cu1 Zn3 67.20(12) . . . . no
Cu2 Zn2 Cu1 Zn4 19.1(2) . . . . no
Cu2 Zn2 Cu1 C81 -179.0(13) . . . . no
Cu2 Zn2 Cu1 C82 -109.8(9) . . . . no
Cu2 Zn2 Cu1 C83 -117.0(6) . . . . no
Cu1 Zn2 Cu2 Zn4 -21.4(2) . . . . no
Cu1 Zn2 Cu2 C91 -177.5(6) . . . . no
Cu1 Zn2 Cu2 Zn3 -65.50(12) . . . . no
Cu1 Zn2 Cu2 C93 106.6(7) . . . . no
Cu1 Zn2 Cu2 C92 154.1(12) . . . . no
Cu2 Zn3 Cu1 C84 -128.8(8) . . . . no
Cu2 Zn3 Cu1 C82 111.2(11) . . . . no
Cu2 Zn3 Cu1 C81 148.9(9) . . . . no
C75 Zn3 Cu1 Zn2 119.4(5) . . . . no
C75 Zn3 Cu1 Zn4 -108.4(5) . . . . no
Cu2 Zn3 Cu1 C85 -170.1(6) . . . . no
C71 Zn3 Cu1 Zn2 162.8(5) . . . . no
C71 Zn3 Cu1 Zn4 -65.0(5) . . . . no
C71 Zn3 Cu1 C81 16.7(10) . . . . no
C71 Zn3 Cu1 C82 -21.0(12) . . . . no
C71 Zn3 Cu1 C84 99.0(9) . . . . no
C71 Zn3 Cu1 C85 57.7(7) . . . . no
C74 Zn3 Cu1 Zn2 74.5(6) . . . . no
C74 Zn3 Cu1 Zn4 -153.3(6) . . . . no
C74 Zn3 Cu1 C81 -71.5(10) . . . . no
C74 Zn3 Cu1 C82 -109.2(13) . . . . no
C74 Zn3 Cu1 C84 10.8(10) . . . . no
C74 Zn3 Cu1 C85 -30.5(8) . . . . no
C71 Zn3 Cu2 C92 -13.4(9) . . . . no
C71 Zn3 Cu2 C94 -150.1(16) . . . . no
C71 Zn3 Cu2 C95 -101.1(9) . . . . no
C72 Zn3 Cu2 Zn2 -130.7(4) . . . . no
C72 Zn3 Cu2 Zn4 88.9(4) . . . . no
C72 Zn3 Cu2 C91 -19.2(7) . . . . no
C72 Zn3 Cu2 C92 23.9(9) . . . . no
C72 Zn3 Cu2 C94 -112.8(16) . . . . no
C72 Zn3 Cu2 C95 -63.8(8) . . . . no
C73 Zn3 Cu2 Zn2 -87.9(5) . . . . no
C73 Zn3 Cu2 Zn4 131.7(5) . . . . no
C73 Zn3 Cu2 C91 23.6(8) . . . . no
C73 Zn3 Cu2 C92 66.7(9) . . . . no
C73 Zn3 Cu2 C94 -70.0(17) . . . . no
C73 Zn3 Cu2 C95 -21.0(9) . . . . no
C74 Zn3 Cu2 Zn2 -50.1(8) . . . . no
C74 Zn3 Cu2 Zn4 169.4(8) . . . . no
C74 Zn3 Cu2 C91 61.3(10) . . . . no
C75 Zn3 Cu1 C81 -26.7(10) . . . . no
C75 Zn3 Cu1 C82 -64.4(12) . . . . no
C75 Zn3 Cu1 C84 55.6(9) . . . . no
C75 Zn3 Cu1 C85 14.3(7) . . . . no
Cu1 Zn3 Cu2 Zn2 70.00(16) . . . . no
Cu1 Zn3 Cu2 Zn4 -70.48(16) . . . . no
Cu1 Zn3 Cu2 C91 -178.6(6) . . . . no
Cu1 Zn3 Cu2 C92 -135.5(8) . . . . no
Cu1 Zn3 Cu2 C94 87.9(16) . . . . no
Cu1 Zn3 Cu2 C95 136.9(7) . . . . no
C71 Zn3 Cu2 Zn2 -167.9(5) . . . . no
C71 Zn3 Cu2 Zn4 51.6(5) . . . . no
C71 Zn3 Cu2 C91 -56.5(8) . . . . no
Cu2 Zn3 Cu1 Zn4 67.14(19) . . . . no
C74 Zn3 C71 C72 -81.3(9) . . . . no
C74 Zn3 C71 C75 37.6(9) . . . . no
C74 Zn3 C71 C76 158.4(14) . . . . no
C75 Zn3 C71 C72 -118.9(11) . . . . no
C75 Zn3 C71 C76 120.7(16) . . . . no
Cu2 Zn3 C72 C71 -139.5(6) . . . . no
Cu2 Zn3 C72 C73 102.7(9) . . . . no
Cu2 Zn3 C72 C77 -20.8(17) . . . . no
C71 Zn3 C72 C73 -117.8(12) . . . . no
C71 Zn3 C72 C77 118.8(18) . . . . no
C73 Zn3 C72 C71 117.8(12) . . . . no
C73 Zn3 C72 C77 -123.4(19) . . . . no
C74 Zn3 C72 C71 79.2(8) . . . . no
C74 Zn3 C72 C73 -38.6(9) . . . . no
C74 Zn3 C72 C77 -162.0(17) . . . . no
C75 Zn3 C72 C71 36.4(8) . . . . no
C75 Zn3 C72 C73 -81.3(10) . . . . no
C75 Zn3 C72 C77 155.2(17) . . . . no
Cu2 Zn3 C73 C72 -97.5(8) . . . . no
Cu2 Zn3 C73 C74 146.1(8) . . . . no
Cu2 Zn3 C73 C78 23.6(19) . . . . no
C71 Zn3 C73 C72 36.8(8) . . . . no
C71 Zn3 C73 C74 -79.6(9) . . . . no
C71 Zn3 C73 C78 157.9(19) . . . . no
C72 Zn3 C73 C74 -116.4(13) . . . . no
C72 Zn3 C73 C78 121(2) . . . . no
C74 Zn3 C73 C72 116.4(13) . . . . no
C74 Zn3 C73 C78 -123(2) . . . . no
C75 Zn3 C73 C72 78.5(9) . . . . no
C75 Zn3 C73 C74 -37.9(9) . . . . no
C75 Zn3 C73 C78 -161(2) . . . . no
Cu1 Zn3 C74 C73 -156.3(7) . . . . no
Cu1 Zn3 C74 C75 87.2(9) . . . . no
Cu1 Zn3 C74 C79 -39.9(19) . . . . no
Cu2 Zn3 C74 C73 -60.3(12) . . . . no
Cu2 Zn3 C74 C75 -176.7(7) . . . . no
Cu2 Zn3 C74 C79 56(2) . . . . no
C71 Zn3 C74 C73 79.8(9) . . . . no
C71 Zn3 C74 C75 -36.7(8) . . . . no
C71 Zn3 C74 C79 -163.8(19) . . . . no
C72 Zn3 C74 C73 38.0(9) . . . . no
C72 Zn3 C74 C75 -78.5(9) . . . . no
C72 Zn3 C74 C79 154.5(19) . . . . no
C73 Zn3 C74 C75 -116.5(13) . . . . no
C73 Zn3 C74 C79 116(2) . . . . no
C75 Zn3 C74 C73 116.5(13) . . . . no
C75 Zn3 C74 C79 -127(2) . . . . no
Cu1 Zn3 C75 C71 122.4(7) . . . . no
Cu1 Zn3 C75 C74 -119.6(8) . . . . no
C74 Zn3 Cu2 C92 104.4(11) . . . . no
C74 Zn3 Cu2 C94 -32.2(18) . . . . no
C74 Zn3 Cu2 C95 16.8(10) . . . . no
Cu1 Zn3 C71 C72 157.1(7) . . . . no
Cu1 Zn3 C71 C75 -84.1(8) . . . . no
Cu1 Zn3 C71 C76 36.7(14) . . . . no
Cu2 Zn3 C71 C72 64.4(9) . . . . no
Cu2 Zn3 C71 C75 -176.7(7) . . . . no
Cu2 Zn3 C71 C76 -56.0(14) . . . . no
C72 Zn3 C71 C75 118.9(11) . . . . no
C72 Zn3 C71 C76 -120.4(15) . . . . no
C73 Zn3 C71 C72 -37.7(8) . . . . no
C73 Zn3 C71 C75 81.2(9) . . . . no
C73 Zn3 C71 C76 -158.1(14) . . . . no
Cu2 Zn3 Cu1 Zn2 -65.07(19) . . . . no
C72 Zn3 C75 C74 81.4(9) . . . . no
C72 Zn3 C75 C80 -156.7(18) . . . . no
C73 Zn3 C75 C71 -79.4(9) . . . . no
Cu1 Zn3 C75 C80 2.3(18) . . . . no
C71 Zn3 C75 C74 117.9(12) . . . . no
C71 Zn3 C75 C80 -120.2(19) . . . . no
C72 Zn3 C75 C71 -36.6(8) . . . . no
C73 Zn3 C75 C74 38.6(9) . . . . no
C73 Zn3 C75 C80 160.5(18) . . . . no
C74 Zn3 C75 C71 -117.9(12) . . . . no
C74 Zn3 C75 C80 121.9(19) . . . . no
Cu2 Zn4 Cu1 C84 139.9(14) . . . . no
Cu2 Zn4 Cu1 C85 -171.0(7) . . . . no
Cu2 Zn4 Cu1 C83 108.6(6) . . . . no
Cu2 Zn4 Cu1 Zn2 -18.9(2) . . . . no
Cu2 Zn4 Cu1 Zn3 -67.77(12) . . . . no
Cu2 Zn4 Cu1 C81 170.5(7) . . . . no
Cu2 Zn4 Cu1 C82 132.4(6) . . . . no
Cu1 Zn4 Cu2 Zn2 21.5(2) . . . . no
Cu1 Zn4 Cu2 Zn3 66.54(13) . . . . no
Cu1 Zn4 Cu2 C91 178.1(6) . . . . no
Cu1 Zn4 Cu2 C92 -156.2(6) . . . . no
Cu1 Zn4 Cu2 C93 -117.6(6) . . . . no
Cu1 Zn4 Cu2 C94 -103.3(8) . . . . no
Cu1 Zn4 Cu2 C95 -161.6(12) . . . . no
Zn2 Cu1 C81 C82 111.2(15) . . . . no
Zn2 Cu1 C81 C85 -8(2) . . . . no
Zn2 Cu1 C81 C86 -129.5(18) . . . . no
Zn3 Cu1 C81 C82 -150.7(11) . . . . no
Zn3 Cu1 C81 C85 90.0(14) . . . . no
Zn3 Cu1 C81 C86 -31(3) . . . . no
Zn4 Cu1 C81 C82 -85.3(13) . . . . no
Zn4 Cu1 C81 C85 155.3(13) . . . . no
Zn3 Cu1 C82 C83 174.3(10) . . . . no
Zn3 Cu1 C82 C87 -66(2) . . . . no
Zn4 Cu1 C82 C81 97.2(14) . . . . no
Zn4 Cu1 C82 C83 -146.2(11) . . . . no
Zn4 Cu1 C82 C87 -27(2) . . . . no
C81 Cu1 C82 C83 116.6(19) . . . . no
C81 Cu1 C82 C87 -124(3) . . . . no
C83 Cu1 C82 C81 -116.6(19) . . . . no
C83 Cu1 C82 C87 119(2) . . . . no
C84 Cu1 C82 C81 -79.4(15) . . . . no
C84 Cu1 C82 C83 37.3(12) . . . . no
C84 Cu1 C82 C87 157(2) . . . . no
C85 Cu1 C82 C81 -35.6(14) . . . . no
C85 Cu1 C82 C83 81.0(13) . . . . no
C85 Cu1 C82 C87 -160(2) . . . . no
Zn2 Cu1 C83 C82 172.8(11) . . . . no
Zn4 Cu1 C81 C86 34(2) . . . . no
C82 Cu1 C81 C85 -119(2) . . . . no
C82 Cu1 C81 C86 119(3) . . . . no
C83 Cu1 C81 C82 38.0(13) . . . . no
C83 Cu1 C81 C85 -81.4(15) . . . . no
C83 Cu1 C81 C86 157(3) . . . . no
C84 Cu1 C81 C82 80.9(14) . . . . no
C84 Cu1 C81 C85 -38.5(13) . . . . no
C84 Cu1 C81 C86 -160(3) . . . . no
C85 Cu1 C81 C82 119(2) . . . . no
C85 Cu1 C81 C86 -121(3) . . . . no
Zn2 Cu1 C82 C81 -128.0(14) . . . . no
Zn2 Cu1 C82 C83 -11.3(17) . . . . no
Zn2 Cu1 C82 C87 108.0(19) . . . . no
Zn3 Cu1 C82 C81 57.7(19) . . . . no
Zn2 Cu1 C84 C83 115.4(11) . . . . no
Zn2 Cu1 C84 C85 -128.6(11) . . . . no
Zn2 Cu1 C84 C89 -8.8(18) . . . . no
Zn3 Cu1 C84 C83 171.5(9) . . . . no
Zn3 Cu1 C84 C85 -72.4(13) . . . . no
Zn3 Cu1 C84 C89 47(2) . . . . no
Zn4 Cu1 C84 C83 -45(2) . . . . no
Zn4 Cu1 C84 C85 70.7(19) . . . . no
Zn4 Cu1 C84 C89 -169.6(11) . . . . no
C81 Cu1 C84 C83 -79.9(14) . . . . no
C81 Cu1 C84 C85 36.2(13) . . . . no
C81 Cu1 C84 C89 156(2) . . . . no
C82 Cu1 C84 C83 -37.1(12) . . . . no
C82 Cu1 C84 C85 79.0(12) . . . . no
C82 Cu1 C84 C89 -161(2) . . . . no
C83 Cu1 C84 C85 116.1(17) . . . . no
C83 Cu1 C84 C89 -124(2) . . . . no
C85 Cu1 C84 C83 -116.1(17) . . . . no
C85 Cu1 C84 C89 120(2) . . . . no
Zn2 Cu1 C85 C81 175.4(13) . . . . no
Zn2 Cu1 C85 C84 57.5(12) . . . . no
Zn2 Cu1 C85 C90 -57.3(19) . . . . no
Zn3 Cu1 C85 C81 -109.9(14) . . . . no
Zn3 Cu1 C85 C84 132.2(10) . . . . no
Zn3 Cu1 C85 C90 17(2) . . . . no
Zn4 Cu1 C85 C81 -31.9(16) . . . . no
Zn4 Cu1 C85 C84 -149.8(10) . . . . no
Zn4 Cu1 C85 C90 95.4(18) . . . . no
C81 Cu1 C85 C84 -117.9(19) . . . . no
C81 Cu1 C85 C90 127(3) . . . . no
C82 Cu1 C85 C81 37.1(14) . . . . no
C82 Cu1 C85 C84 -80.7(13) . . . . no
C82 Cu1 C85 C90 164(2) . . . . no
C83 Cu1 C85 C81 79.7(15) . . . . no
C83 Cu1 C85 C84 -38.2(12) . . . . no
C83 Cu1 C85 C90 -153(2) . . . . no
C84 Cu1 C85 C81 117.9(19) . . . . no
C84 Cu1 C85 C90 -115(2) . . . . no
C81 Cu1 C83 C82 -38.3(13) . . . . no
C81 Cu1 C83 C84 80.1(14) . . . . no
C81 Cu1 C83 C88 -158(2) . . . . no
C82 Cu1 C83 C84 118.4(17) . . . . no
C82 Cu1 C83 C88 -120(3) . . . . no
C84 Cu1 C83 C82 -118.4(17) . . . . no
C84 Cu1 C83 C88 122(3) . . . . no
C85 Cu1 C83 C82 -79.3(13) . . . . no
C85 Cu1 C83 C84 39.0(12) . . . . no
C85 Cu1 C83 C88 161(2) . . . . no
Zn2 Cu1 C83 C84 -68.9(11) . . . . no
Zn2 Cu1 C83 C88 53(2) . . . . no
Zn4 Cu1 C83 C82 41.0(13) . . . . no
Zn4 Cu1 C83 C84 159.4(10) . . . . no
Zn4 Cu1 C83 C88 -79(2) . . . . no
Zn2 Cu2 C91 C92 -156.7(10) . . . . no
Zn2 Cu2 C91 C95 -37.9(13) . . . . no
Zn2 Cu2 C91 C96 82(2) . . . . no
Zn3 Cu2 C91 C92 122.6(11) . . . . no
Zn3 Cu2 C91 C95 -118.6(11) . . . . no
Zn3 Cu2 C91 C96 1(2) . . . . no
Zn4 Cu2 C91 C92 45.6(13) . . . . no
Zn4 Cu2 C91 C95 164.4(10) . . . . no
Zn4 Cu2 C91 C96 -76(2) . . . . no
C92 Cu2 C91 C95 118.8(18) . . . . no
Zn4 Cu2 C92 C93 104.0(10) . . . . no
Zn4 Cu2 C92 C97 -18(2) . . . . no
C91 Cu2 C92 C93 -116.1(17) . . . . no
C91 Cu2 C92 C97 122(3) . . . . no
C93 Cu2 C92 C91 116.1(17) . . . . no
C93 Cu2 C92 C97 -122(2) . . . . no
C94 Cu2 C92 C91 81.3(13) . . . . no
C94 Cu2 C92 C93 -34.9(11) . . . . no
C94 Cu2 C92 C97 -157(2) . . . . no
C95 Cu2 C92 C91 37.3(12) . . . . no
C95 Cu2 C92 C93 -78.9(12) . . . . no
C95 Cu2 C92 C97 159(2) . . . . no
Zn2 Cu2 C93 C92 144.3(10) . . . . no
Zn2 Cu2 C93 C94 24.1(14) . . . . no
Zn2 Cu2 C93 C98 -95.2(16) . . . . no
Zn4 Cu2 C93 C92 -77.8(11) . . . . no
Zn4 Cu2 C93 C94 162.0(12) . . . . no
Zn4 Cu2 C93 C98 42.7(16) . . . . no
C91 Cu2 C93 C92 37.4(11) . . . . no
C91 Cu2 C93 C94 -82.8(13) . . . . no
C91 Cu2 C93 C98 157.9(19) . . . . no
C92 Cu2 C93 C94 -120.2(17) . . . . no
C92 Cu2 C93 C98 121(2) . . . . no
C94 Cu2 C93 C92 120.2(17) . . . . no
C94 Cu2 C93 C98 -119(2) . . . . no
C95 Cu2 C93 C92 80.4(12) . . . . no
C95 Cu2 C93 C94 -39.8(12) . . . . no
C95 Cu2 C93 C98 -159.1(19) . . . . no
Zn2 Cu2 C94 C93 -160.3(12) . . . . no
Zn2 Cu2 C94 C95 83.6(10) . . . . no
Zn2 Cu2 C94 C99 -36.2(19) . . . . no
Zn3 Cu2 C94 C93 -177.1(12) . . . . no
Zn3 Cu2 C94 C95 67(2) . . . . no
Zn3 Cu2 C94 C99 -53(3) . . . . no
Zn4 Cu2 C94 C93 -24.2(15) . . . . no
Zn4 Cu2 C94 C95 -140.3(9) . . . . no
Zn4 Cu2 C94 C99 100.0(18) . . . . no
C91 Cu2 C94 C93 78.9(13) . . . . no
C91 Cu2 C94 C95 -37.2(11) . . . . no
C91 Cu2 C94 C99 -157(2) . . . . no
C92 Cu2 C94 C93 37.5(12) . . . . no
C92 Cu2 C94 C95 -78.6(12) . . . . no
C92 Cu2 C94 C99 162(2) . . . . no
C93 Cu2 C94 C95 -116.1(17) . . . . no
C93 Cu2 C94 C99 124(3) . . . . no
C95 Cu2 C94 C93 116.1(17) . . . . no
C95 Cu2 C94 C99 -120(2) . . . . no
Zn2 Cu2 C95 C10' 27.4(19) . . . . no
Zn2 Cu2 C95 C91 147.0(11) . . . . no
Zn2 Cu2 C95 C94 -95.1(10) . . . . no
Zn3 Cu2 C95 C10' -33(2) . . . . no
Zn3 Cu2 C95 C91 87.1(12) . . . . no
Zn3 Cu2 C95 C94 -155.0(9) . . . . no
Zn4 Cu2 C95 C10' -150.0(14) . . . . no
Zn4 Cu2 C95 C91 -30.4(19) . . . . no
Zn4 Cu2 C95 C94 87.5(15) . . . . no
C91 Cu2 C95 C10' -120(2) . . . . no
C91 Cu2 C95 C94 117.9(16) . . . . no
C92 Cu2 C95 C10' -156(2) . . . . no
C92 Cu2 C95 C91 -36.4(12) . . . . no
C92 Cu2 C95 C94 81.5(12) . . . . no
C93 Cu2 C95 C10' 160(2) . . . . no
C93 Cu2 C95 C91 -80.9(12) . . . . no
C93 Cu2 C95 C94 37.0(11) . . . . no
C94 Cu2 C95 C10' 123(2) . . . . no
C94 Cu2 C95 C91 -117.9(16) . . . . no
Zn4 Cu2 C92 C91 -139.9(12) . . . . no
C92 Cu2 C91 C96 -121(2) . . . . no
C93 Cu2 C91 C92 -39.7(12) . . . . no
C93 Cu2 C91 C95 79.2(12) . . . . no
C93 Cu2 C91 C96 -161(2) . . . . no
C94 Cu2 C91 C92 -80.5(13) . . . . no
C94 Cu2 C91 C95 38.3(11) . . . . no
C94 Cu2 C91 C96 158(2) . . . . no
C95 Cu2 C91 C92 -118.8(18) . . . . no
C95 Cu2 C91 C96 120(2) . . . . no
Zn2 Cu2 C92 C91 43.9(19) . . . . no
Zn2 Cu2 C92 C93 -72.2(16) . . . . no
Zn2 Cu2 C92 C97 165.6(13) . . . . no
Zn3 Cu2 C92 C91 -83.0(13) . . . . no
Zn3 Cu2 C92 C93 160.8(8) . . . . no
Zn3 Cu2 C92 C97 39(2) . . . . no
Cu3 Zn7 Cu4 Zn9 -31.87(8) . . . . no
Cu3 Zn7 Cu4 C21 -179.8(4) . . . . no
Cu3 Zn7 Cu4 C22 -172.4(6) . . . . no
Cu3 Zn7 Cu4 C23 107.0(7) . . . . no
Cu3 Zn7 Cu4 C24 112.1(4) . . . . no
Cu3 Zn7 Cu4 C25 145.6(4) . . . . no
Cu4 Zn7 Cu3 Zn9 36.52(10) . . . . no
Cu4 Zn7 Cu3 C31 -151.8(4) . . . . no
Cu3 Zn7 Cu4 Zn8 -70.02(7) . . . . no
Cu4 Zn7 Cu3 C35 -179.9(5) . . . . no
Cu4 Zn7 Cu3 C34 -167.4(8) . . . . no
Cu4 Zn7 Cu3 C33 -104.3(6) . . . . no
Cu4 Zn7 Cu3 Zn8 67.69(7) . . . . no
Cu4 Zn7 Cu3 C32 -116.2(4) . . . . no
C44 Zn8 C45 C41 -117.8(15) . . . . no
C43 Zn8 C45 C41 -78.3(11) . . . . no
C42 Zn8 C45 C44 81.3(10) . . . . no
C42 Zn8 C45 C50 -169(2) . . . . no
C45 Zn8 Cu3 C33 -151.1(14) . . . . no
C45 Zn8 Cu3 C34 -105.4(9) . . . . no
C45 Zn8 Cu3 C35 -60.8(9) . . . . no
Cu3 Zn8 Cu4 Zn7 69.49(7) . . . . no
Cu3 Zn8 Cu4 Zn9 -68.65(7) . . . . no
C43 Zn8 C45 C44 39.6(9) . . . . no
C43 Zn8 C45 C50 149(2) . . . . no
Cu3 Zn8 Cu4 C23 -107.7(7) . . . . no
Cu3 Zn8 Cu4 C25 130.7(6) . . . . no
C44 Zn8 C45 C50 110(2) . . . . no
C41 Zn8 Cu3 Zn9 -128.8(5) . . . . no
C41 Zn8 Cu3 C31 22.0(8) . . . . no
Cu3 Zn8 Cu4 C21 170.4(3) . . . . no
Cu3 Zn8 Cu4 C22 -147.2(4) . . . . no
C45 Zn8 Cu3 C31 -15.3(10) . . . . no
C41 Zn8 Cu3 C35 -23.6(7) . . . . no
C42 Zn8 Cu3 Zn7 123.1(5) . . . . no
C42 Zn8 Cu3 Zn9 -87.8(5) . . . . no
C42 Zn8 Cu3 C31 62.9(8) . . . . no
C42 Zn8 Cu3 C33 -72.9(13) . . . . no
C42 Zn8 Cu3 C34 -27.2(7) . . . . no
C42 Zn8 Cu3 C35 17.3(7) . . . . no
C43 Zn8 Cu3 Zn7 159.0(7) . . . . no
C43 Zn8 Cu3 Zn9 -51.9(7) . . . . no
C41 Zn8 Cu4 Zn7 -19.2(14) . . . . no
C41 Zn8 Cu4 Zn9 -157.3(14) . . . . no
C41 Zn8 Cu4 C21 81.7(14) . . . . no
C41 Zn8 Cu4 C22 124.1(14) . . . . no
C41 Zn8 Cu3 C33 -113.9(13) . . . . no
C41 Zn8 Cu3 C34 -68.2(7) . . . . no
C45 Zn8 Cu4 C21 35.9(8) . . . . no
C45 Zn8 Cu4 C22 78.3(8) . . . . no
C45 Zn8 Cu4 C23 117.8(10) . . . . no
C45 Zn8 Cu4 C25 -3.8(9) . . . . no
Cu3 Zn8 C41 C42 100.6(11) . . . . no
Cu3 Zn8 C41 C45 -141.7(10) . . . . no
Cu3 Zn8 C41 C46 -14.2(19) . . . . no
Cu4 Zn8 C41 C42 178.0(10) . . . . no
Cu4 Zn8 C41 C45 -64.3(18) . . . . no
Cu4 Zn8 C41 C46 63(2) . . . . no
C42 Zn8 C41 C45 117.7(16) . . . . no
C42 Zn8 C41 C46 -115(2) . . . . no
C43 Zn8 C41 C42 -36.9(10) . . . . no
C43 Zn8 C41 C45 80.7(11) . . . . no
C43 Zn8 C41 C46 -151.8(19) . . . . no
C44 Zn8 C41 C42 -79.8(11) . . . . no
C44 Zn8 C41 C45 37.9(11) . . . . no
C44 Zn8 C41 C46 165.4(19) . . . . no
C45 Zn8 C41 C42 -117.7(16) . . . . no
C45 Zn8 C41 C46 128(2) . . . . no
Cu3 Zn8 C42 C41 -98.7(10) . . . . no
Cu3 Zn8 C42 C43 143.3(8) . . . . no
Cu3 Zn8 C42 C47 21(2) . . . . no
C41 Zn8 C42 C43 -118.0(15) . . . . no
C41 Zn8 C42 C47 120(2) . . . . no
C43 Zn8 Cu3 C31 98.8(9) . . . . no
C43 Zn8 Cu3 C33 -37.0(13) . . . . no
C43 Zn8 Cu3 C34 8.7(8) . . . . no
C43 Zn8 Cu3 C35 53.2(8) . . . . no
C45 Zn8 Cu3 Zn7 45.0(8) . . . . no
C45 Zn8 Cu3 Zn9 -166.0(8) . . . . no
C45 Zn8 C42 C43 -80.4(10) . . . . no
C45 Zn8 C42 C47 157(2) . . . . no
Cu3 Zn8 C43 C42 -60.8(12) . . . . no
Cu3 Zn8 C43 C44 179.8(7) . . . . no
Cu3 Zn8 C43 C48 63.2(18) . . . . no
Cu4 Zn8 C43 C42 -160.4(8) . . . . no
Cu4 Zn8 C43 C44 80.2(9) . . . . no
Cu4 Zn8 C43 C48 -36.4(17) . . . . no
C41 Zn8 C43 C42 36.6(10) . . . . no
C41 Zn8 C43 C44 -82.9(10) . . . . no
C41 Zn8 C43 C48 160.6(17) . . . . no
C42 Zn8 C43 C44 -119.5(13) . . . . no
C42 Zn8 C43 C48 124.0(19) . . . . no
C44 Zn8 C43 C42 119.5(13) . . . . no
C44 Zn8 C43 C48 -116.5(19) . . . . no
C45 Zn8 C43 C42 79.3(11) . . . . no
C45 Zn8 C43 C44 -40.2(9) . . . . no
C45 Zn8 C43 C48 -156.8(17) . . . . no
Cu4 Zn8 C44 C43 -127.2(8) . . . . no
Cu4 Zn8 C44 C45 119.5(9) . . . . no
Cu4 Zn8 C44 C49 -12.0(18) . . . . no
C41 Zn8 C44 C43 76.5(10) . . . . no
C41 Zn8 C44 C45 -36.9(10) . . . . no
C41 Zn8 C44 C49 -168.3(19) . . . . no
C42 Zn8 C44 C43 35.7(9) . . . . no
C43 Zn8 C42 C41 118.0(15) . . . . no
C43 Zn8 C42 C47 -122(2) . . . . no
C44 Zn8 C42 C41 81.2(11) . . . . no
C44 Zn8 C42 C43 -36.8(9) . . . . no
C44 Zn8 C42 C47 -159(2) . . . . no
C45 Zn8 C42 C41 37.6(11) . . . . no
C45 Zn8 Cu4 Zn9 156.9(7) . . . . no
Cu3 Zn8 C45 C50 -70(2) . . . . no
Cu4 Zn8 C45 C41 154.8(9) . . . . no
Cu4 Zn8 C45 C44 -87.3(10) . . . . no
Cu4 Zn8 C45 C50 22(2) . . . . no
C41 Zn8 C45 C44 117.8(15) . . . . no
C41 Zn8 C45 C50 -133(2) . . . . no
C42 Zn8 C45 C41 -36.5(11) . . . . no
Cu4 Zn8 Cu3 Zn7 -74.08(8) . . . . no
Cu4 Zn8 Cu3 Zn9 74.97(8) . . . . no
Cu4 Zn8 Cu3 C31 -134.3(6) . . . . no
Cu4 Zn8 Cu3 C33 89.9(11) . . . . no
Cu4 Zn8 Cu3 C34 135.6(5) . . . . no
Cu4 Zn8 Cu3 C35 -179.9(5) . . . . no
C41 Zn8 Cu3 Zn7 82.2(5) . . . . no
C44 Zn8 Cu4 C22 33.0(6) . . . . no
C44 Zn8 Cu4 C23 72.5(9) . . . . no
C44 Zn8 Cu4 C25 -49.1(8) . . . . no
C45 Zn8 Cu4 Zn7 -65.0(7) . . . . no
C41 Zn8 Cu4 C23 163.6(15) . . . . no
C41 Zn8 Cu4 C25 42.0(15) . . . . no
C43 Zn8 Cu4 Zn7 -153.9(5) . . . . no
C43 Zn8 Cu4 Zn9 67.9(5) . . . . no
C43 Zn8 Cu4 C21 -53.1(6) . . . . no
C43 Zn8 Cu4 C22 -10.6(7) . . . . no
C43 Zn8 Cu4 C23 28.9(9) . . . . no
C43 Zn8 Cu4 C25 -92.7(8) . . . . no
C44 Zn8 Cu4 Zn7 -110.3(5) . . . . no
C44 Zn8 Cu4 Zn9 111.6(5) . . . . no
C44 Zn8 Cu4 C21 -9.4(6) . . . . no
C42 Zn8 C44 C49 150.8(19) . . . . no
C43 Zn8 C44 C45 -113.3(13) . . . . no
C43 Zn8 C44 C49 115(2) . . . . no
C45 Zn8 C44 C43 113.3(13) . . . . no
Cu3 Zn8 C45 C44 -179.3(6) . . . . no
Cu3 Zn8 C45 C41 62.9(13) . . . . no
C45 Zn8 C44 C49 -132(2) . . . . no
C42 Zn8 C44 C45 -77.7(11) . . . . no
Cu3 Zn9 Cu4 Zn7 32.17(8) . . . . no
Cu4 Zn9 Cu3 C34 154.6(4) . . . . no
Cu3 Zn9 Cu4 C21 173.0(5) . . . . no
Cu3 Zn9 Cu4 C22 -167.5(3) . . . . no
Cu3 Zn9 Cu4 Zn8 70.45(7) . . . . no
Cu3 Zn9 Cu4 C24 -107.0(5) . . . . no
Cu4 Zn9 Cu3 C35 180.0(5) . . . . no
Cu4 Zn9 Cu3 Zn7 -36.22(10) . . . . no
Cu4 Zn9 Cu3 Zn8 -67.29(7) . . . . no
Cu4 Zn9 Cu3 C31 161.4(8) . . . . no
Cu4 Zn9 Cu3 C32 105.0(6) . . . . no
Cu3 Zn9 Cu4 C23 -128.9(4) . . . . no
Cu4 Zn9 Cu3 C33 117.9(4) . . . . no
Cu3 Zn9 Cu4 C25 -141.7(9) . . . . no
Zn9 Cu3 C31 C35 27.9(13) . . . . no
Zn9 Cu3 C31 C36 149.3(12) . . . . no
C32 Cu3 C31 C36 -122.7(19) . . . . no
C33 Cu3 C31 C32 -37.9(9) . . . . no
C33 Cu3 C31 C35 78.0(9) . . . . no
C33 Cu3 C31 C36 -160.6(17) . . . . no
C34 Cu3 C31 C32 -80.5(10) . . . . no
C34 Cu3 C31 C35 35.4(9) . . . . no
C32 Cu3 C31 C35 115.9(13) . . . . no
C35 Cu3 C31 C32 -115.9(13) . . . . no
C35 Cu3 C31 C36 121.4(18) . . . . no
Zn7 Cu3 C32 C31 -75.6(9) . . . . no
Zn7 Cu3 C32 C33 166.7(8) . . . . no
Zn9 Cu3 C31 C32 -88.0(11) . . . . no
Zn7 Cu3 C33 C38 102.6(13) . . . . no
Zn8 Cu3 C33 C32 -178.3(9) . . . . no
Zn8 Cu3 C33 C34 63.0(15) . . . . no
Zn8 Cu3 C33 C38 -56(2) . . . . no
Zn9 Cu3 C33 C32 -164.9(8) . . . . no
Zn9 Cu3 C33 C34 76.4(8) . . . . no
Zn9 Cu3 C33 C38 -43.1(13) . . . . no
C31 Cu3 C33 C32 36.7(8) . . . . no
C31 Cu3 C33 C34 -82.0(9) . . . . no
C34 Cu3 C31 C36 156.8(17) . . . . no
C32 Cu3 C33 C34 -118.7(12) . . . . no
C32 Cu3 C33 C38 121.9(17) . . . . no
C34 Cu3 C33 C32 118.7(12) . . . . no
C34 Cu3 C33 C38 -119.4(16) . . . . no
C35 Cu3 C33 C32 80.0(9) . . . . no
C35 Cu3 C33 C34 -38.7(9) . . . . no
C35 Cu3 C33 C38 -158.1(15) . . . . no
Zn7 Cu3 C34 C33 95.7(11) . . . . no
Zn7 Cu3 C34 C35 -18.7(14) . . . . no
Zn7 Cu3 C34 C39 -144.5(12) . . . . no
Zn8 Cu3 C34 C33 -156.3(7) . . . . no
Zn8 Cu3 C34 C35 89.3(9) . . . . no
Zn8 Cu3 C34 C39 -36.4(18) . . . . no
Zn9 Cu3 C34 C33 -105.4(8) . . . . no
C31 Cu3 C33 C38 158.6(15) . . . . no
Zn7 Cu3 C31 C32 107.5(9) . . . . no
Zn7 Cu3 C31 C35 -136.7(8) . . . . no
Zn7 Cu3 C31 C36 -15.3(15) . . . . no
Zn8 Cu3 C31 C32 157.9(7) . . . . no
Zn8 Cu3 C31 C35 -86.3(9) . . . . no
Zn8 Cu3 C31 C36 35.1(17) . . . . no
C32 Cu3 C34 C39 156.9(17) . . . . no
C33 Cu3 C34 C35 -114.4(12) . . . . no
C33 Cu3 C34 C39 119.9(19) . . . . no
C35 Cu3 C34 C33 114.4(12) . . . . no
C35 Cu3 C34 C39 -125.7(19) . . . . no
Zn7 Cu3 C35 C31 49.9(9) . . . . no
Zn7 Cu3 C35 C34 170.5(7) . . . . no
Zn7 Cu3 C35 C40 -70.7(16) . . . . no
Zn8 Cu3 C35 C31 122.1(8) . . . . no
Zn8 Cu3 C35 C34 -117.4(8) . . . . no
Zn8 Cu3 C35 C40 1.5(17) . . . . no
Zn9 Cu3 C35 C31 -165.7(7) . . . . no
Zn9 Cu3 C35 C34 -45.1(9) . . . . no
Zn9 Cu3 C35 C40 73.7(16) . . . . no
C31 Cu3 C35 C34 120.6(13) . . . . no
C31 Cu3 C35 C40 -120.6(19) . . . . no
C32 Cu3 C35 C31 -37.7(9) . . . . no
C32 Cu3 C35 C34 82.9(9) . . . . no
C32 Cu3 C35 C40 -158.3(18) . . . . no
C33 Cu3 C35 C31 -81.1(9) . . . . no
C33 Cu3 C35 C34 39.5(9) . . . . no
C33 Cu3 C35 C40 158.4(18) . . . . no
C34 Cu3 C35 C31 -120.6(13) . . . . no
C34 Cu3 C35 C40 118.9(19) . . . . no
Zn9 Cu3 C34 C35 140.2(8) . . . . no
Zn9 Cu3 C34 C39 14.5(15) . . . . no
C31 Cu3 C34 C33 78.2(9) . . . . no
C31 Cu3 C34 C35 -36.2(9) . . . . no
C31 Cu3 C34 C39 -161.9(17) . . . . no
C32 Cu3 C34 C33 37.0(8) . . . . no
C32 Cu3 C34 C35 -77.4(9) . . . . no
Zn7 Cu3 C33 C34 -137.9(7) . . . . no
Zn7 Cu3 C33 C32 -19.2(11) . . . . no
C33 Cu3 C32 C31 117.7(13) . . . . no
Zn7 Cu3 C32 C37 45.1(14) . . . . no
Zn9 Cu3 C32 C31 138.6(8) . . . . no
Zn9 Cu3 C32 C33 21.0(11) . . . . no
Zn9 Cu3 C32 C37 -100.7(13) . . . . no
C31 Cu3 C32 C33 -117.7(13) . . . . no
C31 Cu3 C32 C37 120.7(18) . . . . no
C35 Cu3 C32 C37 159.6(15) . . . . no
C33 Cu3 C32 C37 -121.6(17) . . . . no
C34 Cu3 C32 C31 80.8(10) . . . . no
C34 Cu3 C32 C33 -36.9(8) . . . . no
C34 Cu3 C32 C37 -158.5(15) . . . . no
C35 Cu3 C32 C31 38.9(9) . . . . no
C35 Cu3 C32 C33 -78.8(9) . . . . no
Zn9 Cu4 C21 C26 -92.3(12) . . . . no
Zn8 Cu4 C22 C23 147.6(6) . . . . no
C22 Cu4 C21 C25 117.9(11) . . . . no
C22 Cu4 C21 C26 -125.7(16) . . . . no
C23 Cu4 C21 C22 -38.3(7) . . . . no
C23 Cu4 C21 C25 79.6(9) . . . . no
C23 Cu4 C21 C26 -164.0(14) . . . . no
C24 Cu4 C21 C22 -80.2(8) . . . . no
C24 Cu4 C21 C25 37.7(8) . . . . no
C24 Cu4 C21 C26 154.2(14) . . . . no
C25 Cu4 C21 C22 -117.9(11) . . . . no
C25 Cu4 C21 C26 116.4(15) . . . . no
Zn7 Cu4 C22 C21 -11.3(10) . . . . no
Zn7 Cu4 C22 C23 -128.7(7) . . . . no
Zn7 Cu4 C22 C27 109.1(12) . . . . no
Zn8 Cu4 C22 C21 -95.0(7) . . . . no
Zn9 Cu4 C21 C25 151.3(7) . . . . no
Zn7 Cu4 C23 C24 7.7(13) . . . . no
Zn7 Cu4 C23 C28 -114.1(13) . . . . no
Zn8 Cu4 C23 C22 -61.5(10) . . . . no
Zn8 Cu4 C23 C24 -177.2(7) . . . . no
Zn8 Cu4 C23 C28 61.0(17) . . . . no
Zn9 Cu4 C23 C22 -94.9(7) . . . . no
Zn9 Cu4 C23 C24 149.3(8) . . . . no
Zn9 Cu4 C23 C28 27.5(14) . . . . no
C21 Cu4 C23 C22 36.9(7) . . . . no
C21 Cu4 C23 C24 -78.9(9) . . . . no
C21 Cu4 C23 C28 159.4(16) . . . . no
C22 Cu4 C23 C24 -115.8(11) . . . . no
C22 Cu4 C23 C28 122.4(17) . . . . no
C24 Cu4 C23 C22 115.8(11) . . . . no
C24 Cu4 C23 C28 -121.8(18) . . . . no
C25 Cu4 C23 C22 79.2(8) . . . . no
Zn8 Cu4 C22 C27 25.4(13) . . . . no
Zn9 Cu4 C22 C21 -154.3(7) . . . . no
Zn9 Cu4 C22 C23 88.3(7) . . . . no
Zn9 Cu4 C22 C27 -33.9(12) . . . . no
C21 Cu4 C22 C23 -117.4(10) . . . . no
C21 Cu4 C22 C27 120.4(15) . . . . no
C23 Cu4 C22 C21 117.4(10) . . . . no
C23 Cu4 C22 C27 -122.2(15) . . . . no
C24 Cu4 C22 C21 79.7(8) . . . . no
C24 Cu4 C22 C23 -37.7(8) . . . . no
C24 Cu4 C22 C27 -159.9(14) . . . . no
C25 Cu4 C22 C21 37.3(8) . . . . no
C25 Cu4 C22 C23 -80.1(8) . . . . no
C25 Cu4 C22 C27 157.7(13) . . . . no
Zn7 Cu4 C23 C22 123.5(8) . . . . no
C25 Cu4 C24 C29 -120.5(19) . . . . no
Zn7 Cu4 C25 C21 119.7(7) . . . . no
Zn7 Cu4 C25 C24 -123.5(8) . . . . no
Zn7 Cu4 C25 C30 0.5(13) . . . . no
Zn8 Cu4 C25 C21 69.3(9) . . . . no
Zn8 Cu4 C25 C24 -173.8(6) . . . . no
Zn8 Cu4 C25 C30 -49.9(16) . . . . no
Zn9 Cu4 C25 C21 -66.1(12) . . . . no
Zn9 Cu4 C25 C24 50.7(14) . . . . no
Zn9 Cu4 C25 C30 174.7(9) . . . . no
C21 Cu4 C25 C24 116.8(12) . . . . no
C21 Cu4 C25 C30 -119.2(16) . . . . no
C22 Cu4 C25 C21 -37.0(7) . . . . no
C22 Cu4 C25 C24 79.9(9) . . . . no
C22 Cu4 C25 C30 -156.2(15) . . . . no
C23 Cu4 C25 C21 -80.6(8) . . . . no
C23 Cu4 C25 C24 36.3(8) . . . . no
C23 Cu4 C25 C30 160.3(15) . . . . no
C24 Cu4 C25 C21 -116.8(12) . . . . no
C24 Cu4 C25 C30 124.0(17) . . . . no
C25 Cu4 C23 C28 -158.4(16) . . . . no
Zn7 Cu4 C24 C23 -175.9(7) . . . . no
Zn7 Cu4 C24 C25 65.0(8) . . . . no
Zn7 Cu4 C24 C29 -55.5(16) . . . . no
Zn9 Cu4 C24 C23 -38.2(10) . . . . no
Zn9 Cu4 C24 C25 -157.3(7) . . . . no
Zn7 Cu4 C21 C22 173.6(6) . . . . no
Zn7 Cu4 C21 C25 -68.5(8) . . . . no
Zn7 Cu4 C21 C26 47.9(13) . . . . no
Zn8 Cu4 C21 C22 106.2(7) . . . . no
Zn8 Cu4 C21 C25 -136.0(7) . . . . no
Zn8 Cu4 C21 C26 -19.5(13) . . . . no
Zn9 Cu4 C21 C22 33.4(9) . . . . no
C23 Cu4 C24 C25 -119.1(12) . . . . no
C23 Cu4 C24 C29 120.4(19) . . . . no
C25 Cu4 C24 C23 119.1(12) . . . . no
Zn9 Cu4 C24 C29 82.2(16) . . . . no
C21 Cu4 C24 C23 81.3(9) . . . . no
C21 Cu4 C24 C25 -37.8(8) . . . . no
C21 Cu4 C24 C29 -158.3(17) . . . . no
C22 Cu4 C24 C23 39.2(8) . . . . no
C22 Cu4 C24 C25 -79.9(9) . . . . no
C22 Cu4 C24 C29 159.6(17) . . . . no
C25 Cu4 C23 C24 -36.6(9) . . . . no
C4 Zn10 C3 C8 -121.3(13) . . . . no
C5 Zn10 C3 C2 80.8(7) . . . . no
C5 Zn10 C3 C4 -38.1(6) . . . . no
C5 Zn10 C3 C8 -159.4(11) . . . . no
C1 Zn10 C4 C3 78.3(7) . . . . no
C1 Zn10 C4 C5 -38.1(6) . . . . no
C4 Zn10 C3 C2 118.9(9) . . . . no
C5 Zn10 C1 C6 119.2(13) . . . . no
C1 Zn10 C2 C3 -116.0(9) . . . . no
C1 Zn10 C2 C7 123.5(13) . . . . no
C3 Zn10 C2 C1 116.0(9) . . . . no
C3 Zn10 C2 C7 -120.6(13) . . . . no
C4 Zn10 C2 C1 79.5(7) . . . . no
C4 Zn10 C2 C3 -36.4(6) . . . . no
C1 Zn10 C4 C9 -160.5(11) . . . . no
C2 Zn10 C4 C3 36.8(6) . . . . no
C2 Zn10 C4 C5 -79.7(7) . . . . no
C2 Zn10 C4 C9 158.0(11) . . . . no
C3 Zn10 C4 C5 -116.5(9) . . . . no
C3 Zn10 C4 C9 121.2(12) . . . . no
C5 Zn10 C4 C3 116.5(9) . . . . no
C2 Zn10 C3 C4 -118.9(9) . . . . no
C2 Zn10 C3 C8 119.8(13) . . . . no
C4 Zn10 C1 C6 157.1(12) . . . . no
C5 Zn10 C1 C2 -118.6(9) . . . . no
C1 Zn10 C5 C10 -121.6(13) . . . . no
C2 Zn10 C5 C1 -36.2(6) . . . . no
C2 Zn10 C5 C4 80.2(7) . . . . no
C2 Zn10 C5 C10 -157.9(11) . . . . no
C3 Zn10 C5 C1 -78.7(7) . . . . no
C4 Zn10 C2 C7 -157.0(12) . . . . no
C2 Zn10 C1 C5 118.6(9) . . . . no
C2 Zn10 C1 C6 -122.2(13) . . . . no
C3 Zn10 C1 C2 -38.5(6) . . . . no
C3 Zn10 C1 C5 80.2(7) . . . . no
C3 Zn10 C1 C6 -160.7(12) . . . . no
C4 Zn10 C1 C2 -80.7(7) . . . . no
C4 Zn10 C1 C5 37.9(6) . . . . no
C4 Zn10 C5 C10 122.0(13) . . . . no
C5 Zn10 C4 C9 -122.4(12) . . . . no
C1 Zn10 C5 C4 116.4(9) . . . . no
C5 Zn10 C2 C7 160.6(12) . . . . no
C1 Zn10 C3 C2 37.7(6) . . . . no
C1 Zn10 C3 C4 -81.1(7) . . . . no
C1 Zn10 C3 C8 157.6(11) . . . . no
C3 Zn10 C5 C10 159.7(11) . . . . no
C5 Zn10 C2 C1 37.2(6) . . . . no
C5 Zn10 C2 C3 -78.8(6) . . . . no
C3 Zn10 C5 C4 37.7(6) . . . . no
C4 Zn10 C5 C1 -116.4(9) . . . . no
C15 Zn6 C13 C18 161.8(12) . . . . no
C15 Zn6 C13 C14 36.6(6) . . . . no
C14 Zn6 C13 C12 -115.8(10) . . . . no
C11 Zn6 C14 C13 -80.0(7) . . . . no
C14 Zn6 C13 C18 125.2(13) . . . . no
C15 Zn6 C13 C12 -79.2(8) . . . . no
C12 Zn6 C13 C18 -119.0(13) . . . . no
C12 Zn6 C15 C20 157.4(12) . . . . no
C11 Zn6 C14 C15 39.2(7) . . . . no
C11 Zn6 C14 C19 160.1(12) . . . . no
C11 Zn6 C13 C14 80.3(8) . . . . no
C13 Zn6 C11 C12 38.3(7) . . . . no
C13 Zn6 C11 C15 -79.4(7) . . . . no
C13 Zn6 C11 C16 163.5(15) . . . . no
C14 Zn6 C11 C12 79.7(8) . . . . no
C13 Zn6 C15 C11 79.7(7) . . . . no
C12 Zn6 C11 C15 -117.7(10) . . . . no
C12 Zn6 C11 C16 125.3(17) . . . . no
C15 Zn6 C11 C16 -117.1(15) . . . . no
C11 Zn6 C13 C18 -154.5(12) . . . . no
C12 Zn6 C13 C14 115.8(10) . . . . no
C12 Zn6 C15 C14 -79.8(7) . . . . no
C11 Zn6 C15 C14 -115.7(9) . . . . no
C11 Zn6 C15 C20 121.6(14) . . . . no
C13 Zn6 C15 C14 -36.0(6) . . . . no
C13 Zn6 C15 C20 -158.7(12) . . . . no
C14 Zn6 C15 C11 115.7(9) . . . . no
C14 Zn6 C15 C20 -122.7(13) . . . . no
C14 Zn6 C12 C11 -81.0(8) . . . . no
C14 Zn6 C12 C13 37.4(6) . . . . no
C14 Zn6 C11 C15 -37.9(6) . . . . no
C14 Zn6 C11 C16 -155.0(15) . . . . no
C15 Zn6 C11 C12 117.7(10) . . . . no
C11 Zn6 C13 C12 -35.5(8) . . . . no
C15 Zn6 C12 C17 -161.1(13) . . . . no
C15 Zn6 C14 C13 -119.2(9) . . . . no
C15 Zn6 C14 C19 120.9(13) . . . . no
C11 Zn6 C12 C13 118.3(11) . . . . no
C12 Zn6 C14 C13 -39.4(7) . . . . no
C12 Zn6 C15 C11 35.9(7) . . . . no
C13 Zn6 C12 C17 119.2(15) . . . . no
C11 Zn6 C12 C17 -122.5(15) . . . . no
C13 Zn6 C12 C11 -118.3(11) . . . . no
C12 Zn6 C14 C15 79.8(7) . . . . no
C12 Zn6 C14 C19 -159.4(12) . . . . no
C13 Zn6 C14 C15 119.2(9) . . . . no
C13 Zn6 C14 C19 -119.9(13) . . . . no
C15 Zn6 C12 C13 79.7(7) . . . . no
C14 Zn6 C12 C17 156.6(13) . . . . no
C15 Zn6 C12 C11 -38.6(8) . . . . no
C53 Zn1 C54 C55 -117.6(10) . . . . no
C52 Zn1 C54 C53 38.2(7) . . . . no
C52 Zn1 C54 C59 162.7(12) . . . . no
C55 Zn1 C51 C56 120.0(12) . . . . no
C53 Zn1 C51 C56 -160.7(10) . . . . no
C52 Zn1 C54 C55 -79.5(7) . . . . no
C53 Zn1 C51 C55 79.4(7) . . . . no
C51 Zn1 C54 C59 -156.6(12) . . . . no
C55 Zn1 C51 C52 -117.1(9) . . . . no
C54 Zn1 C53 C52 117.2(9) . . . . no
C54 Zn1 C53 C58 -121.2(13) . . . . no
C55 Zn1 C53 C52 79.1(7) . . . . no
C54 Zn1 C51 C52 -78.4(7) . . . . no
C54 Zn1 C51 C55 38.7(6) . . . . no
C54 Zn1 C51 C56 158.7(10) . . . . no
C51 Zn1 C54 C55 -38.8(6) . . . . no
C53 Zn1 C55 C51 -79.1(7) . . . . no
C52 Zn1 C51 C55 117.1(9) . . . . no
C52 Zn1 C51 C56 -122.9(12) . . . . no
C53 Zn1 C51 C52 -37.7(7) . . . . no
C54 Zn1 C55 C60 123.7(13) . . . . no
C51 Zn1 C53 C52 35.9(6) . . . . no
C51 Zn1 C53 C54 -81.3(7) . . . . no
C53 Zn1 C54 C59 124.6(13) . . . . no
C55 Zn1 C54 C53 117.6(10) . . . . no
C55 Zn1 C54 C59 -117.8(13) . . . . no
C51 Zn1 C55 C54 115.1(9) . . . . no
C51 Zn1 C55 C60 -121.2(12) . . . . no
C52 Zn1 C55 C51 -36.2(6) . . . . no
C52 Zn1 C55 C54 78.9(7) . . . . no
C52 Zn1 C55 C60 -157.4(11) . . . . no
C53 Zn1 C52 C57 -119.2(12) . . . . no
C53 Zn1 C55 C54 36.0(7) . . . . no
C53 Zn1 C55 C60 159.7(11) . . . . no
C54 Zn1 C55 C51 -115.1(9) . . . . no
C55 Zn1 C52 C51 38.4(7) . . . . no
C55 Zn1 C52 C53 -79.6(7) . . . . no
C55 Zn1 C52 C57 161.3(11) . . . . no
C51 Zn1 C53 C58 157.5(12) . . . . no
C52 Zn1 C53 C54 -117.2(9) . . . . no
C52 Zn1 C53 C58 121.6(13) . . . . no
C54 Zn1 C52 C53 -36.3(6) . . . . no
C54 Zn1 C52 C57 -155.5(11) . . . . no
C55 Zn1 C53 C54 -38.1(7) . . . . no
C55 Zn1 C53 C58 -159.3(12) . . . . no
C51 Zn1 C54 C53 78.8(7) . . . . no
C53 Zn1 C52 C51 118.0(9) . . . . no
C54 Zn1 C52 C51 81.7(7) . . . . no
C51 Zn1 C52 C53 -118.0(9) . . . . no
C51 Zn1 C52 C57 122.8(13) . . . . no
C64 Zn5 C61 C66 -158.5(14) . . . . no
C65 Zn5 C63 C62 -79.4(7) . . . . no
C65 Zn5 C63 C64 37.1(7) . . . . no
C63 Zn5 C61 C65 -79.9(7) . . . . no
C61 Zn5 C65 C70 122.1(13) . . . . no
C62 Zn5 C65 C61 37.3(7) . . . . no
C62 Zn5 C65 C64 -78.7(8) . . . . no
C62 Zn5 C65 C70 159.4(12) . . . . no
C65 Zn5 C61 C62 116.8(10) . . . . no
C65 Zn5 C61 C66 -120.5(15) . . . . no
C61 Zn5 C65 C64 -116.1(10) . . . . no
C63 Zn5 C61 C62 36.9(7) . . . . no
C62 Zn5 C64 C69 -159.8(13) . . . . no
C63 Zn5 C61 C66 159.6(14) . . . . no
C64 Zn5 C61 C62 78.9(8) . . . . no
C64 Zn5 C61 C65 -37.9(7) . . . . no
C65 Zn5 C64 C63 -117.9(10) . . . . no
C65 Zn5 C64 C69 120.0(13) . . . . no
C62 Zn5 C63 C64 116.5(10) . . . . no
C62 Zn5 C63 C68 -120.5(13) . . . . no
C64 Zn5 C63 C62 -116.5(10) . . . . no
C64 Zn5 C63 C68 123.0(13) . . . . no
C61 Zn5 C62 C67 -122.9(15) . . . . no
C63 Zn5 C62 C61 -118.0(10) . . . . no
C63 Zn5 C62 C67 119.1(14) . . . . no
C62 Zn5 C61 C65 -116.8(10) . . . . no
C62 Zn5 C61 C66 122.7(16) . . . . no
C62 Zn5 C64 C65 80.3(8) . . . . no
C62 Zn5 C64 C63 -37.7(7) . . . . no
C61 Zn5 C64 C69 158.2(12) . . . . no
C65 Zn5 C62 C67 -160.8(13) . . . . no
C63 Zn5 C64 C65 117.9(10) . . . . no
C63 Zn5 C64 C69 -122.1(14) . . . . no
C61 Zn5 C63 C68 -157.3(12) . . . . no
C64 Zn5 C62 C63 37.7(7) . . . . no
C64 Zn5 C62 C67 156.8(14) . . . . no
C61 Zn5 C62 C63 118.0(10) . . . . no
C65 Zn5 C62 C63 80.1(7) . . . . no
C61 Zn5 C64 C65 38.2(7) . . . . no
C61 Zn5 C63 C62 -36.8(7) . . . . no
C64 Zn5 C62 C61 -80.3(8) . . . . no
C65 Zn5 C63 C68 160.1(11) . . . . no
C63 Zn5 C65 C61 79.2(7) . . . . no
C65 Zn5 C62 C61 -37.9(7) . . . . no
C61 Zn5 C63 C64 79.7(8) . . . . no
C61 Zn5 C64 C63 -79.7(8) . . . . no
C64 Zn5 C65 C70 -121.9(13) . . . . no
C63 Zn5 C65 C64 -36.8(7) . . . . no
C63 Zn5 C65 C70 -158.7(12) . . . . no
C64 Zn5 C65 C61 116.1(10) . . . . no
C106 C101 C102 C103 1.4(16) . . . . no
B1 C101 C106 C105 171.8(10) . . . . no
C102 C101 C106 C105 -0.9(16) . . . . no
B1 C101 C102 C103 -171.3(10) . . . . no
C106 C101 B1 C125 32.4(15) . . . . no
C102 C101 B1 C125 -155.2(10) . . . . no
C102 C101 B1 C109 81.2(12) . . . . no
C102 C101 B1 C117 -37.9(14) . . . . no
C106 C101 B1 C117 149.8(10) . . . . no
C106 C101 B1 C109 -91.2(11) . . . . no
C101 C102 C103 C107 173.8(10) . . . . no
C101 C102 C103 C104 -2.0(17) . . . . no
C104 C103 C107 F1 -28.3(15) . . . . no
C104 C103 C107 F2 -146.4(11) . . . . no
C102 C103 C107 F1 156.0(11) . . . . no
C104 C103 C107 F3 91.8(14) . . . . no
C107 C103 C104 C105 -173.7(11) . . . . no
C102 C103 C104 C105 2.0(17) . . . . no
C102 C103 C107 F2 37.8(15) . . . . no
C102 C103 C107 F3 -83.9(13) . . . . no
C103 C104 C105 C106 -1.6(17) . . . . no
C103 C104 C105 C108 -177.6(12) . . . . no
C106 C105 C108 F5 -73.8(18) . . . . no
C106 C105 C108 F6 168.8(12) . . . . no
C104 C105 C108 F6 -15(2) . . . . no
C104 C105 C106 C101 1.1(17) . . . . no
C104 C105 C108 F5 102.5(17) . . . . no
C108 C105 C106 C101 177.3(12) . . . . no
C104 C105 C108 F4 -134.7(15) . . . . no
C106 C105 C108 F4 49.0(19) . . . . no
C110 C109 B1 C125 -27.6(15) . . . . no
C110 C109 B1 C101 95.9(12) . . . . no
C114 C109 B1 C125 160.2(10) . . . . no
C110 C109 B1 C117 -145.9(11) . . . . no
C114 C109 B1 C117 42.0(14) . . . . no
C110 C109 C114 C113 2.3(17) . . . . no
C114 C109 B1 C101 -76.3(12) . . . . no
B1 C109 C114 C113 175.1(11) . . . . no
C114 C109 C110 C111 -2.2(17) . . . . no
B1 C109 C110 C111 -174.7(11) . . . . no
C109 C110 C111 C112 -0.4(19) . . . . no
C109 C110 C111 C115 -178.1(12) . . . . no
C110 C111 C112 C113 3(2) . . . . no
C112 C111 C115 F9 116.2(15) . . . . no
C115 C111 C112 C113 -179.2(14) . . . . no
C112 C111 C115 F8 -124.8(15) . . . . no
C110 C111 C115 F9 -66.2(16) . . . . no
C112 C111 C115 F7 -4.4(19) . . . . no
C110 C111 C115 F7 173.2(12) . . . . no
C110 C111 C115 F8 52.9(18) . . . . no
C111 C112 C113 C116 174.9(15) . . . . no
C111 C112 C113 C114 -3(2) . . . . no
C116 C113 C114 C109 -177.8(14) . . . . no
C114 C113 C116 F11 40(2) . . . . no
C114 C113 C116 F12 -93(2) . . . . no
C114 C113 C116 F10 154.8(14) . . . . no
C112 C113 C116 F11 -137.6(17) . . . . no
C112 C113 C114 C109 0(2) . . . . no
C112 C113 C116 F10 -23(2) . . . . no
C112 C113 C116 F12 89(2) . . . . no
B1 C117 C122 C121 -174.6(11) . . . . no
C118 C117 B1 C109 29.5(15) . . . . no
C118 C117 B1 C101 143.2(10) . . . . no
C118 C117 C122 C121 1.6(17) . . . . no
C122 C117 B1 C109 -154.6(10) . . . . no
C122 C117 B1 C125 81.8(12) . . . . no
C122 C117 C118 C119 -0.3(16) . . . . no
B1 C117 C118 C119 175.8(11) . . . . no
C122 C117 B1 C101 -40.9(14) . . . . no
C118 C117 B1 C125 -94.1(12) . . . . no
C117 C118 C119 C120 -0.7(19) . . . . no
C117 C118 C119 C123 178.1(13) . . . . no
C120 C119 C123 F15 104.1(17) . . . . no
C118 C119 C123 F14 163.9(13) . . . . no
C118 C119 C123 F13 46.7(19) . . . . no
C120 C119 C123 F13 -134.5(15) . . . . no
C120 C119 C123 F14 -17(2) . . . . no
C123 C119 C120 C121 -178.5(13) . . . . no
C118 C119 C123 F15 -75(2) . . . . no
C118 C119 C120 C121 0.3(19) . . . . no
C119 C120 C121 C122 1.0(17) . . . . no
C119 C120 C121 C124 180.0(13) . . . . no
C120 C121 C124 F18 17(2) . . . . no
C120 C121 C124 F16 138.6(13) . . . . no
C120 C121 C124 F17 -104.8(16) . . . . no
C122 C121 C124 F18 -163.8(13) . . . . no
C122 C121 C124 F17 74.2(18) . . . . no
C120 C121 C122 C117 -2.1(18) . . . . no
C122 C121 C124 F16 -42.5(19) . . . . no
C124 C121 C122 C117 179.0(12) . . . . no
C130 C125 B1 C117 85.5(12) . . . . no
C130 C125 B1 C109 -36.5(15) . . . . no
C126 C125 B1 C109 154.2(10) . . . . no
C126 C125 B1 C101 36.8(15) . . . . no
C126 C125 C130 C129 -2.7(17) . . . . no
C130 C125 B1 C101 -154.0(10) . . . . no
B1 C125 C130 C129 -172.7(11) . . . . no
B1 C125 C126 C127 170.8(11) . . . . no
C130 C125 C126 C127 0.8(17) . . . . no
C126 C125 B1 C117 -83.7(12) . . . . no
C125 C126 C127 C131 177.7(12) . . . . no
C125 C126 C127 C128 2.3(19) . . . . no
C131 C127 C128 C129 -178.9(11) . . . . no
C126 C127 C131 F24 71.3(16) . . . . no
C128 C127 C131 F22 6.7(17) . . . . no
C126 C127 C128 C129 -3.4(17) . . . . no
C126 C127 C131 F22 -168.9(12) . . . . no
C128 C127 C131 F24 -113.1(14) . . . . no
C126 C127 C131 F23 -47.9(19) . . . . no
C128 C127 C131 F23 127.6(14) . . . . no
C127 C128 C129 C132 178.6(11) . . . . no
C127 C128 C129 C130 1.6(16) . . . . no
C128 C129 C132 F19 149.4(11) . . . . no
C128 C129 C132 F20 -92.3(13) . . . . no
C132 C129 C130 C125 -175.4(11) . . . . no
C128 C129 C130 C125 1.6(17) . . . . no
C128 C129 C132 F21 26.9(15) . . . . no
C130 C129 C132 F19 -33.6(16) . . . . no
C130 C129 C132 F20 84.7(13) . . . . no
C130 C129 C132 F21 -156.2(11) . . . . no
C138 C133 B2 C149 -40.5(15) . . . . no
C134 C133 B2 C141 30.0(16) . . . . no
C138 C133 C134 C135 3.1(16) . . . . no
C134 C133 B2 C149 148.2(11) . . . . no
B2 C133 C138 C137 -175.4(11) . . . . no
C134 C133 C138 C137 -3.2(17) . . . . no
C138 C133 B2 C141 -158.7(11) . . . . no
C134 C133 B2 C157 -94.2(13) . . . . no
C138 C133 B2 C157 77.2(13) . . . . no
B2 C133 C134 C135 175.1(11) . . . . no
C133 C134 C135 C139 175.3(11) . . . . no
C133 C134 C135 C136 -1.7(18) . . . . no
C139 C135 C136 C137 -177.0(11) . . . . no
C134 C135 C136 C137 -0.1(17) . . . . no
C134 C135 C139 F29 -57.9(17) . . . . no
C136 C135 C139 F30 -122.3(13) . . . . no
C134 C135 C139 F28 -179.3(11) . . . . no
C136 C135 C139 F29 119.1(14) . . . . no
C134 C135 C139 F30 60.7(16) . . . . no
C136 C135 C139 F28 -2.3(18) . . . . no
C135 C136 C137 C138 0.1(17) . . . . no
C135 C136 C137 C140 -175.4(11) . . . . no
C136 C137 C140 F26 86.8(14) . . . . no
C140 C137 C138 C133 177.2(11) . . . . no
C136 C137 C140 F25 -34.2(17) . . . . no
C138 C137 C140 F25 150.5(12) . . . . no
C138 C137 C140 F27 30.9(17) . . . . no
C136 C137 C138 C133 1.7(17) . . . . no
C138 C137 C140 F26 -88.5(14) . . . . no
C136 C137 C140 F27 -153.8(11) . . . . no
C142 C141 C146 C145 -0.5(16) . . . . no
C146 C141 B2 C149 -88.8(13) . . . . no
C146 C141 C142 C143 0.0(17) . . . . no
C146 C141 B2 C157 151.5(11) . . . . no
B2 C141 C146 C145 173.5(11) . . . . no
C142 C141 B2 C157 -35.1(16) . . . . no
C142 C141 B2 C149 84.7(13) . . . . no
C142 C141 B2 C133 -153.7(11) . . . . no
C146 C141 B2 C133 32.9(16) . . . . no
B2 C141 C142 C143 -174.0(11) . . . . no
C141 C142 C143 C147 -178.7(11) . . . . no
C141 C142 C143 C144 -1.0(18) . . . . no
C144 C143 C147 F31 29.1(16) . . . . no
C142 C143 C144 C145 2.4(17) . . . . no
C147 C143 C144 C145 -179.9(11) . . . . no
C142 C143 C147 F33 -35.7(17) . . . . no
C144 C143 C147 F33 146.6(12) . . . . no
C142 C143 C147 F31 -153.2(11) . . . . no
C144 C143 C147 F32 -93.1(13) . . . . no
C142 C143 C147 F32 84.6(15) . . . . no
C143 C144 C145 C146 -2.9(17) . . . . no
C143 C144 C145 C148 -176.5(11) . . . . no
C148 C145 C146 C141 175.5(11) . . . . no
C144 C145 C148 F34 -147.9(12) . . . . no
C144 C145 C146 C141 2.0(18) . . . . no
C144 C145 C148 F35 -29.9(16) . . . . no
C146 C145 C148 F35 156.3(11) . . . . no
C146 C145 C148 F34 38.3(16) . . . . no
C144 C145 C148 F36 90.7(14) . . . . no
C146 C145 C148 F36 -83.0(15) . . . . no
C150 C149 B2 C133 152.8(11) . . . . no
B2 C149 C154 C153 -178.2(11) . . . . no
C154 C149 B2 C133 -32.8(15) . . . . no
C150 C149 B2 C157 39.3(15) . . . . no
C150 C149 B2 C141 -82.7(13) . . . . no
C150 C149 C154 C153 -3.4(17) . . . . no
C154 C149 B2 C157 -146.3(11) . . . . no
C154 C149 C150 C151 -2.0(17) . . . . no
C154 C149 B2 C141 91.7(13) . . . . no
B2 C149 C150 C151 172.9(11) . . . . no
C149 C150 C151 C152 5.8(18) . . . . no
C149 C150 C151 C155 -176.7(12) . . . . no
C150 C151 C155 F37 -39.4(18) . . . . no
C150 C151 C155 F38 79.4(15) . . . . no
C152 C151 C155 F39 19.1(17) . . . . no
C150 C151 C155 F39 -158.5(12) . . . . no
C155 C151 C152 C153 178.4(11) . . . . no
C150 C151 C152 C153 -4.0(17) . . . . no
C152 C151 C155 F37 138.2(12) . . . . no
C152 C151 C155 F38 -103.1(14) . . . . no
C151 C152 C153 C154 -1.3(17) . . . . no
C151 C152 C153 C156 179.4(11) . . . . no
C156 C153 C154 C149 -175.5(11) . . . . no
C154 C153 C156 F40 -52.0(16) . . . . no
C154 C153 C156 F41 71.4(15) . . . . no
C152 C153 C156 F42 6.0(17) . . . . no
C152 C153 C156 F41 -109.3(13) . . . . no
C152 C153 C154 C149 5.1(18) . . . . no
C154 C153 C156 F42 -173.4(11) . . . . no
C152 C153 C156 F40 127.4(13) . . . . no
C158 C157 B2 C141 -34.2(16) . . . . no
C162 C157 B2 C149 39.1(15) . . . . no
C158 C157 C162 C161 1.5(18) . . . . no
C162 C157 C158 C159 -3.3(17) . . . . no
B2 C157 C162 C161 172.4(12) . . . . no
C162 C157 B2 C141 155.7(11) . . . . no
C162 C157 B2 C133 -79.1(13) . . . . no
C158 C157 B2 C133 91.1(13) . . . . no
C158 C157 B2 C149 -150.7(11) . . . . no
B2 C157 C158 C159 -173.7(11) . . . . no
C157 C158 C159 C163 -176.2(11) . . . . no
C157 C158 C159 C160 3.3(18) . . . . no
C158 C159 C160 C161 -1.3(18) . . . . no
C160 C159 C163 F44 125.1(12) . . . . no
C160 C159 C163 F45 -115.2(14) . . . . no
C163 C159 C160 C161 178.2(12) . . . . no
C158 C159 C163 F43 -172.0(12) . . . . no
C158 C159 C163 F44 -55.5(15) . . . . no
C160 C159 C163 F43 8.5(18) . . . . no
C158 C159 C163 F45 64.3(17) . . . . no
C159 C160 C161 C162 -0.4(19) . . . . no
C159 C160 C161 C164 178.8(14) . . . . no
C160 C161 C162 C157 0(2) . . . . no
C162 C161 C164 F47 49(2) . . . . no
C162 C161 C164 F48 167.5(16) . . . . no
C164 C161 C162 C157 -178.9(14) . . . . no
C160 C161 C164 F46 118.6(18) . . . . no
C162 C161 C164 F46 -62(2) . . . . no
C160 C161 C164 F48 -12(3) . . . . no
C160 C161 C164 F47 -130.4(16) . . . . no
C76 C71 C72 Zn3 120.1(13) . . . . no
C75 C71 C72 C77 176.6(15) . . . . no
C75 C71 C72 Zn3 -59.9(9) . . . . no
C76 C71 C75 Zn3 -120.1(14) . . . . no
C75 C71 C72 C73 0.0(15) . . . . no
C76 C71 C72 C77 -3(2) . . . . no
Zn3 C71 C75 C74 -59.9(10) . . . . no
Zn3 C71 C75 C80 127.5(16) . . . . no
C76 C71 C72 C73 180.0(14) . . . . no
C76 C71 C75 C80 7(2) . . . . no
Zn3 C71 C72 C77 -123.5(16) . . . . no
C72 C71 C75 C80 -172.6(15) . . . . no
Zn3 C71 C72 C73 59.9(10) . . . . no
C76 C71 C75 C74 179.9(14) . . . . no
C72 C71 C75 Zn3 59.9(9) . . . . no
C72 C71 C75 C74 -0.1(16) . . . . no
C77 C72 C73 C78 -8(3) . . . . no
C77 C72 C73 C74 -176.2(17) . . . . no
C71 C72 C73 C78 168.8(16) . . . . no
Zn3 C72 C73 C78 -128.5(17) . . . . no
C77 C72 C73 Zn3 120.9(17) . . . . no
C71 C72 C73 C74 0.1(16) . . . . no
Zn3 C72 C73 C74 62.9(10) . . . . no
C71 C72 C73 Zn3 -62.7(10) . . . . no
C72 C73 C74 Zn3 -64.6(11) . . . . no
C78 C73 C74 Zn3 127.1(18) . . . . no
C72 C73 C74 C79 169.6(16) . . . . no
Zn3 C73 C74 C79 -125.8(17) . . . . no
C72 C73 C74 C75 -0.2(17) . . . . no
Zn3 C73 C74 C75 64.5(11) . . . . no
C78 C73 C74 C75 -168.4(17) . . . . no
C78 C73 C74 C79 1(3) . . . . no
C79 C74 C75 C71 -168.7(17) . . . . no
C73 C74 C75 C71 0.2(16) . . . . no
C79 C74 C75 Zn3 128.5(19) . . . . no
C73 C74 C75 C80 172.3(16) . . . . no
Zn3 C74 C75 C80 -125.1(17) . . . . no
C79 C74 C75 C80 3(3) . . . . no
C73 C74 C75 Zn3 -62.6(11) . . . . no
Zn3 C74 C75 C71 62.8(10) . . . . no
C82 C81 C85 Cu1 -61.6(18) . . . . no
C86 C81 C85 C90 -2(4) . . . . no
C86 C81 C85 C84 -174(2) . . . . no
C86 C81 C85 Cu1 126(2) . . . . no
Cu1 C81 C85 C90 -129(2) . . . . no
C82 C81 C85 C84 -2(3) . . . . no
C82 C81 C85 C90 170(2) . . . . no
Cu1 C81 C82 C87 127(2) . . . . no
C85 C81 C82 C87 -170(2) . . . . no
C86 C81 C82 C83 172(2) . . . . no
C85 C81 C82 Cu1 62.4(18) . . . . no
Cu1 C81 C85 C84 59.9(15) . . . . no
C85 C81 C82 C83 0(3) . . . . no
Cu1 C81 C82 C83 -62.2(15) . . . . no
C86 C81 C82 C87 2(4) . . . . no
C86 C81 C82 Cu1 -125(2) . . . . no
C81 C82 C83 C84 2(2) . . . . no
C81 C82 C83 Cu1 61.8(16) . . . . no
C81 C82 C83 C88 -169(2) . . . . no
C87 C82 C83 Cu1 -127(2) . . . . no
C87 C82 C83 C88 2(4) . . . . no
Cu1 C82 C83 C84 -60.3(15) . . . . no
Cu1 C82 C83 C88 130(2) . . . . no
C87 C82 C83 C84 173(2) . . . . no
C88 C83 C84 C85 167(2) . . . . no
C88 C83 C84 C89 -3(4) . . . . no
C88 C83 C84 Cu1 -129(2) . . . . no
C82 C83 C84 C89 -173(2) . . . . no
Cu1 C83 C84 C85 -63.5(14) . . . . no
C82 C83 C84 Cu1 60.9(15) . . . . no
C82 C83 C84 C85 -3(2) . . . . no
Cu1 C83 C84 C89 127(2) . . . . no
Cu1 C84 C85 C81 -61.0(16) . . . . no
C89 C84 C85 C90 1(3) . . . . no
C83 C84 C85 Cu1 63.6(15) . . . . no
C89 C84 C85 C81 173(2) . . . . no
Cu1 C84 C85 C90 127(2) . . . . no
C89 C84 C85 Cu1 -126(2) . . . . no
C83 C84 C85 C90 -169.8(19) . . . . no
C83 C84 C85 C81 3(3) . . . . no
Cu2 C91 C95 C94 -61.1(13) . . . . no
C96 C91 C92 C93 -166.7(19) . . . . no
C92 C91 C95 Cu2 59.5(14) . . . . no
C96 C91 C95 C10' -2(3) . . . . no
C96 C91 C92 C97 0(3) . . . . no
C96 C91 C92 Cu2 130(2) . . . . no
Cu2 C91 C92 C97 -130.3(19) . . . . no
C95 C91 C92 Cu2 -59.9(13) . . . . no
C96 C91 C95 Cu2 -130(2) . . . . no
C92 C91 C95 C10' -172.2(17) . . . . no
C92 C91 C95 C94 -2(2) . . . . no
Cu2 C91 C92 C93 63.4(13) . . . . no
Cu2 C91 C95 C10' 128.3(18) . . . . no
C95 C91 C92 C93 3(2) . . . . no
C96 C91 C95 C94 168.7(18) . . . . no
C95 C91 C92 C97 169.8(18) . . . . no
C91 C92 C93 C94 -4(2) . . . . no
C91 C92 C93 C98 175.4(18) . . . . no
C97 C92 C93 C94 -170.2(18) . . . . no
C97 C92 C93 C98 9(3) . . . . no
Cu2 C92 C93 C98 -120.1(18) . . . . no
C97 C92 C93 Cu2 129.4(19) . . . . no
C91 C92 C93 Cu2 -64.5(14) . . . . no
Cu2 C92 C93 C94 60.4(14) . . . . no
Cu2 C93 C94 C95 61.9(12) . . . . no
Cu2 C93 C94 C99 -130(2) . . . . no
C98 C93 C94 C99 -8(3) . . . . no
C98 C93 C94 C95 -176.5(17) . . . . no
C92 C93 C94 C95 3(2) . . . . no
C92 C93 C94 Cu2 -58.8(13) . . . . no
C98 C93 C94 Cu2 121.6(19) . . . . no
C92 C93 C94 C99 171.4(18) . . . . no
C99 C94 C95 C91 -169.6(18) . . . . no
C99 C94 C95 C10' 1(3) . . . . no
C93 C94 C95 C91 -1(2) . . . . no
Cu2 C94 C95 C10' -127.9(19) . . . . no
Cu2 C94 C95 C91 61.9(13) . . . . no
C99 C94 C95 Cu2 128.5(19) . . . . no
C93 C94 C95 Cu2 -62.9(13) . . . . no
C93 C94 C95 C10' 169.2(18) . . . . no
C26 C21 C22 C23 -171.6(14) . . . . no
C25 C21 C22 Cu4 -60.3(9) . . . . no
C26 C21 C22 Cu4 127.0(16) . . . . no
Cu4 C21 C22 C27 -122.9(12) . . . . no
C22 C21 C25 C24 -2.4(16) . . . . no
C26 C21 C22 C27 4(2) . . . . no
Cu4 C21 C22 C23 61.4(8) . . . . no
C26 C21 C25 C30 -1(2) . . . . no
Cu4 C21 C25 C30 124.9(14) . . . . no
C22 C21 C25 Cu4 61.0(9) . . . . no
Cu4 C21 C25 C24 -63.3(9) . . . . no
C25 C21 C22 C27 176.8(12) . . . . no
C26 C21 C25 Cu4 -125.8(14) . . . . no
C26 C21 C25 C24 170.9(13) . . . . no
C25 C21 C22 C23 1.1(14) . . . . no
C22 C21 C25 C30 -174.1(13) . . . . no
C21 C22 C23 Cu4 -62.7(9) . . . . no
Cu4 C22 C23 C24 63.2(8) . . . . no
Cu4 C22 C23 C28 -125.2(12) . . . . no
C21 C22 C23 C24 0.5(13) . . . . no
C21 C22 C23 C28 172.1(12) . . . . no
C27 C22 C23 Cu4 121.8(12) . . . . no
C27 C22 C23 C24 -175.0(12) . . . . no
C27 C22 C23 C28 -3(2) . . . . no
C28 C23 C24 C29 0(2) . . . . no
C22 C23 C24 C25 -2.0(14) . . . . no
Cu4 C23 C24 C29 -125.0(13) . . . . no
C22 C23 C24 Cu4 -63.0(8) . . . . no
Cu4 C23 C24 C25 61.0(9) . . . . no
C22 C23 C24 C29 172.0(12) . . . . no
C28 C23 C24 C25 -173.7(13) . . . . no
C28 C23 C24 Cu4 125.4(13) . . . . no
C29 C24 C25 C21 -171.2(13) . . . . no
C23 C24 C25 C21 2.7(15) . . . . no
C23 C24 C25 Cu4 -61.3(9) . . . . no
Cu4 C24 C25 C21 64.0(10) . . . . no
C29 C24 C25 C30 0(2) . . . . no
Cu4 C24 C25 C30 -124.7(15) . . . . no
C29 C24 C25 Cu4 124.8(13) . . . . no
C23 C24 C25 C30 174.0(13) . . . . no
Cu3 C31 C35 C34 -61.2(12) . . . . no
C35 C31 C32 C37 173.3(15) . . . . no
C36 C31 C32 C37 4(3) . . . . no
C32 C31 C35 Cu3 61.9(10) . . . . no
C32 C31 C35 C34 0.7(18) . . . . no
C32 C31 C35 C40 -171.0(16) . . . . no
Cu3 C31 C32 C33 61.8(10) . . . . no
Cu3 C31 C32 C37 -124.8(15) . . . . no
Cu3 C31 C35 C40 127.1(17) . . . . no
C35 C31 C32 C33 -0.1(17) . . . . no
C36 C31 C35 C40 -2(3) . . . . no
C36 C31 C35 Cu3 -128.7(16) . . . . no
C36 C31 C32 Cu3 128.8(16) . . . . no
C36 C31 C32 C33 -169.4(15) . . . . no
C36 C31 C35 C34 170.1(15) . . . . no
C35 C31 C32 Cu3 -61.9(10) . . . . no
C31 C32 C33 C34 -0.5(18) . . . . no
C31 C32 C33 Cu3 -63.1(11) . . . . no
Cu3 C32 C33 C38 -126.2(15) . . . . no
Cu3 C32 C33 C34 62.6(11) . . . . no
C31 C32 C33 C38 170.7(14) . . . . no
C37 C32 C33 C38 -3(2) . . . . no
C37 C32 C33 C34 -173.7(15) . . . . no
C37 C32 C33 Cu3 123.7(16) . . . . no
Cu3 C33 C34 C39 -130.3(15) . . . . no
C32 C33 C34 Cu3 -62.0(11) . . . . no
C38 C33 C34 C35 -170.5(14) . . . . no
C38 C33 C34 C39 -4(2) . . . . no
C38 C33 C34 Cu3 126.6(14) . . . . no
Cu3 C33 C34 C35 62.9(11) . . . . no
C32 C33 C34 C35 0.9(17) . . . . no
C32 C33 C34 C39 167.7(14) . . . . no
Cu3 C34 C35 C40 -127.1(17) . . . . no
C39 C34 C35 C40 5(3) . . . . no
Cu3 C34 C35 C31 61.0(11) . . . . no
C33 C34 C35 C40 170.9(16) . . . . no
C39 C34 C35 Cu3 131.8(16) . . . . no
C39 C34 C35 C31 -167.2(15) . . . . no
C33 C34 C35 Cu3 -62.0(10) . . . . no
C33 C34 C35 C31 -1.0(18) . . . . no
Zn8 C41 C45 C44 -63.7(12) . . . . no
Zn8 C41 C42 C43 61.4(12) . . . . no
Zn8 C41 C42 C47 -127.6(19) . . . . no
C45 C41 C42 Zn8 -60.6(13) . . . . no
C45 C41 C42 C43 1(2) . . . . no
C46 C41 C42 C43 -176.4(17) . . . . no
C46 C41 C45 C44 175.0(19) . . . . no
C46 C41 C45 Zn8 -121(2) . . . . no
C46 C41 C45 C50 5(4) . . . . no
C42 C41 C45 Zn8 61.9(13) . . . . no
C46 C41 C42 C47 -5(3) . . . . no
Zn8 C41 C45 C50 127(2) . . . . no
C42 C41 C45 C50 -172(2) . . . . no
C45 C41 C42 C47 171.9(18) . . . . no
C46 C41 C42 Zn8 122.2(18) . . . . no
C42 C41 C45 C44 -2(2) . . . . no
C47 C42 C43 Zn8 127(2) . . . . no
C41 C42 C43 C44 1(2) . . . . no
C41 C42 C43 Zn8 -62.3(13) . . . . no
C47 C42 C43 C48 0(3) . . . . no
C41 C42 C43 C48 170.4(18) . . . . no
C47 C42 C43 C44 -170.2(18) . . . . no
Zn8 C42 C43 C48 -127.3(18) . . . . no
Zn8 C42 C43 C44 62.8(11) . . . . no
C42 C43 C44 C49 169.5(17) . . . . no
C48 C43 C44 Zn8 126.4(16) . . . . no
C42 C43 C44 C45 -1.5(18) . . . . no
Zn8 C43 C44 C49 -127.4(16) . . . . no
C48 C43 C44 C45 -172.0(16) . . . . no
Zn8 C43 C44 C45 61.6(11) . . . . no
C48 C43 C44 C49 -1(3) . . . . no
C42 C43 C44 Zn8 -63.1(12) . . . . no
C43 C44 C45 Zn8 -62.1(10) . . . . no
C43 C44 C45 C50 173.8(17) . . . . no
Zn8 C44 C45 C41 64.1(13) . . . . no
C49 C44 C45 Zn8 129(2) . . . . no
C43 C44 C45 C41 2.0(19) . . . . no
Zn8 C44 C45 C50 -124.1(18) . . . . no
C49 C44 C45 C50 5(3) . . . . no
C49 C44 C45 C41 -167(2) . . . . no
Zn10 C1 C2 C7 -121.5(12) . . . . no
Zn10 C1 C2 C3 63.7(8) . . . . no
C6 C1 C2 Zn10 123.6(12) . . . . no
C6 C1 C2 C3 -172.7(11) . . . . no
C6 C1 C5 C10 -1.0(18) . . . . no
C6 C1 C5 C4 174.8(10) . . . . no
C5 C1 C2 C3 1.6(13) . . . . no
C5 C1 C2 C7 176.5(11) . . . . no
C2 C1 C5 Zn10 61.9(8) . . . . no
C2 C1 C5 C4 0.3(13) . . . . no
C6 C1 C5 Zn10 -123.6(11) . . . . no
Zn10 C1 C5 C10 122.6(12) . . . . no
C6 C1 C2 C7 2(2) . . . . no
C5 C1 C2 Zn10 -62.1(8) . . . . no
C2 C1 C5 C10 -175.5(11) . . . . no
Zn10 C1 C5 C4 -61.6(7) . . . . no
C7 C2 C3 C8 -0.4(18) . . . . no
C1 C2 C3 C4 -3.0(13) . . . . no
Zn10 C2 C3 C8 -121.9(10) . . . . no
C7 C2 C3 Zn10 121.5(12) . . . . no
C1 C2 C3 Zn10 -63.5(8) . . . . no
C7 C2 C3 C4 -178.0(11) . . . . no
C1 C2 C3 C8 174.6(10) . . . . no
Zn10 C2 C3 C4 60.5(8) . . . . no
Zn10 C3 C4 C9 -122.2(12) . . . . no
C2 C3 C4 C5 3.2(13) . . . . no
Zn10 C3 C4 C5 63.7(8) . . . . no
C8 C3 C4 C5 -174.3(10) . . . . no
C2 C3 C4 C9 177.3(11) . . . . no
C2 C3 C4 Zn10 -60.5(8) . . . . no
C8 C3 C4 Zn10 121.9(10) . . . . no
C8 C3 C4 C9 -0.3(18) . . . . no
C9 C4 C5 C10 -0.4(19) . . . . no
C3 C4 C5 C1 -2.2(12) . . . . no
C3 C4 C5 Zn10 -63.9(8) . . . . no
C9 C4 C5 C1 -176.2(11) . . . . no
Zn10 C4 C5 C10 -122.5(12) . . . . no
C9 C4 C5 Zn10 122.1(12) . . . . no
C3 C4 C5 C10 173.6(11) . . . . no
Zn10 C4 C5 C1 61.8(7) . . . . no
Zn6 C11 C12 C13 -62.2(9) . . . . no
C15 C11 C12 Zn6 61.6(9) . . . . no
C16 C11 C12 C13 175.3(13) . . . . no
C16 C11 C12 C17 0(2) . . . . no
Zn6 C11 C12 C17 122.7(14) . . . . no
Zn6 C11 C15 C14 62.8(8) . . . . no
Zn6 C11 C15 C20 -123.5(12) . . . . no
C12 C11 C15 Zn6 -62.1(9) . . . . no
C12 C11 C15 C14 0.6(14) . . . . no
C12 C11 C15 C20 174.4(12) . . . . no
C16 C11 C15 Zn6 121.6(12) . . . . no
C16 C11 C15 C14 -175.6(12) . . . . no
C16 C11 C15 C20 -2(2) . . . . no
C16 C11 C12 Zn6 -122.5(14) . . . . no
C15 C11 C12 C13 -0.6(14) . . . . no
C15 C11 C12 C17 -175.8(13) . . . . no
Zn6 C12 C13 C14 -62.6(8) . . . . no
C17 C12 C13 Zn6 -121.8(14) . . . . no
C17 C12 C13 C14 175.7(13) . . . . no
C17 C12 C13 C18 -2(2) . . . . no
C11 C12 C13 Zn6 62.9(9) . . . . no
C11 C12 C13 C14 0.4(14) . . . . no
Zn6 C12 C13 C18 119.3(12) . . . . no
C11 C12 C13 C18 -177.7(12) . . . . no
C12 C13 C14 Zn6 61.7(8) . . . . no
C12 C13 C14 C15 0.0(13) . . . . no
C12 C13 C14 C19 -175.8(11) . . . . no
C18 C13 C14 Zn6 -120.3(13) . . . . no
Zn6 C13 C14 C15 -61.7(8) . . . . no
C18 C13 C14 C19 2(2) . . . . no
Zn6 C13 C14 C19 122.5(12) . . . . no
C18 C13 C14 C15 178.0(12) . . . . no
Zn6 C14 C15 C11 -62.4(8) . . . . no
Zn6 C14 C15 C20 123.9(12) . . . . no
C19 C14 C15 C20 2(2) . . . . no
C13 C14 C15 Zn6 62.0(8) . . . . no
C19 C14 C15 C11 175.4(12) . . . . no
C19 C14 C15 Zn6 -122.2(12) . . . . no
C13 C14 C15 C11 -0.4(13) . . . . no
C13 C14 C15 C20 -174.1(12) . . . . no
Zn1 C51 C52 C53 61.9(8) . . . . no
C55 C51 C52 C57 178.1(11) . . . . no
C56 C51 C52 Zn1 119.8(11) . . . . no
C56 C51 C52 C53 -178.4(10) . . . . no
C56 C51 C52 C57 0.9(19) . . . . no
Zn1 C51 C52 C57 -118.9(12) . . . . no
C55 C51 C52 Zn1 -63.0(8) . . . . no
C55 C51 C52 C53 -1.2(13) . . . . no
C52 C51 C55 Zn1 63.9(8) . . . . no
C52 C51 C55 C54 1.7(13) . . . . no
C52 C51 C55 C60 -175.2(11) . . . . no
C56 C51 C55 Zn1 -118.9(10) . . . . no
C56 C51 C55 C54 178.9(10) . . . . no
C56 C51 C55 C60 2.0(18) . . . . no
Zn1 C51 C55 C54 -62.2(8) . . . . no
Zn1 C51 C55 C60 120.9(12) . . . . no
C51 C52 C53 Zn1 -62.1(8) . . . . no
C51 C52 C53 C54 0.2(13) . . . . no
C51 C52 C53 C58 176.6(11) . . . . no
C57 C52 C53 Zn1 118.6(11) . . . . no
C57 C52 C53 C54 -179.1(11) . . . . no
Zn1 C52 C53 C54 62.3(8) . . . . no
Zn1 C52 C53 C58 -121.3(12) . . . . no
C57 C52 C53 C58 -2.7(19) . . . . no
C52 C53 C54 C59 172.7(11) . . . . no
C58 C53 C54 Zn1 121.2(12) . . . . no
C52 C53 C54 C55 0.8(13) . . . . no
C58 C53 C54 C59 -4(2) . . . . no
Zn1 C53 C54 C59 -124.9(12) . . . . no
C58 C53 C54 C55 -175.6(11) . . . . no
Zn1 C53 C54 C55 63.2(8) . . . . no
C52 C53 C54 Zn1 -62.4(8) . . . . no
Zn1 C54 C55 C51 62.4(7) . . . . no
C59 C54 C55 Zn1 123.7(11) . . . . no
C59 C54 C55 C51 -173.9(10) . . . . no
C59 C54 C55 C60 2.9(19) . . . . no
Zn1 C54 C55 C60 -120.8(12) . . . . no
C53 C54 C55 Zn1 -64.0(8) . . . . no
C53 C54 C55 C51 -1.5(13) . . . . no
C53 C54 C55 C60 175.3(12) . . . . no
Zn5 C61 C62 C63 -62.3(8) . . . . no
Zn5 C61 C62 C67 121.4(12) . . . . no
C65 C61 C62 Zn5 62.9(9) . . . . no
C65 C61 C62 C63 0.6(14) . . . . no
C65 C61 C62 C67 -175.7(11) . . . . no
C66 C61 C62 Zn5 -122.1(14) . . . . no
C66 C61 C62 C63 175.6(13) . . . . no
C66 C61 C62 C67 -1(2) . . . . no
Zn5 C61 C65 C64 61.8(8) . . . . no
Zn5 C61 C65 C70 -121.0(12) . . . . no
C62 C61 C65 Zn5 -62.9(9) . . . . no
C62 C61 C65 C64 -1.1(14) . . . . no
C62 C61 C65 C70 176.1(12) . . . . no
C66 C61 C65 Zn5 122.0(14) . . . . no
C66 C61 C65 C64 -176.2(13) . . . . no
C66 C61 C65 C70 1(2) . . . . no
Zn5 C62 C63 C64 -62.1(8) . . . . no
Zn5 C62 C63 C68 119.9(12) . . . . no
C61 C62 C63 Zn5 62.3(9) . . . . no
C61 C62 C63 C64 0.2(14) . . . . no
C61 C62 C63 C68 -177.9(12) . . . . no
C67 C62 C63 Zn5 -121.3(11) . . . . no
C67 C62 C63 C64 176.6(11) . . . . no
C67 C62 C63 C68 -1.5(19) . . . . no
Zn5 C63 C64 C65 -63.6(8) . . . . no
Zn5 C63 C64 C69 120.3(12) . . . . no
C62 C63 C64 Zn5 62.7(8) . . . . no
C62 C63 C64 C65 -0.9(13) . . . . no
C62 C63 C64 C69 -177.0(11) . . . . no
C68 C63 C64 Zn5 -119.3(12) . . . . no
C68 C63 C64 C65 177.1(12) . . . . no
C68 C63 C64 C69 1(2) . . . . no
Zn5 C64 C65 C61 -62.3(8) . . . . no
Zn5 C64 C65 C70 120.5(12) . . . . no
C63 C64 C65 Zn5 63.6(8) . . . . no
C63 C64 C65 C61 1.3(14) . . . . no
C63 C64 C65 C70 -175.9(12) . . . . no
C69 C64 C65 Zn5 -120.3(12) . . . . no
C69 C64 C65 C61 177.4(11) . . . . no
C69 C64 C65 C70 0.3(19) . . . . no
C170 C165 C166 C167 1(3) . . . . no
C166 C165 C170 C169 4(3) . . . . no
C165 C166 C167 C168 -2(3) . . . . no
C166 C167 C168 F49 -166.4(17) . . . . no
C166 C167 C168 C169 -2(3) . . . . no
F49 C168 C169 C170 170.0(18) . . . . no
C167 C168 C169 C170 7(3) . . . . no
C168 C169 C170 C165 -8(3) . . . . no

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
#
#D   H   A   D - H  H...A   D...A    D - H...A  symm(A)
#
C30 H30A F34 0.9800 2.5400 3.383(18) 144.00 . yes
C57 H57C F32 0.9800 2.5500 3.477(15) 159.00 . yes
C59 H59C F29 0.9800 2.4800 3.434(16) 165.00 3_455 yes
C112 H112 F7 0.9500 2.3700 2.70(2) 100.00 . yes
C112 H112 F48 0.9500 2.5400 3.352(18) 143.00 2_575 yes
C120 H120 F14 0.9500 2.3900 2.721(16) 100.00 . yes
C136 H136 F28 0.9500 2.3400 2.680(15) 100.00 . yes
C152 H152 F42 0.9500 2.3400 2.676(15) 100.00 . yes

# Loop Mechanism for Extra Tables(s)

#loop_
#_publ_manuscript_incl_extra_item
#'_geom_extra_tableA_col_1'
#'_geom_extra_tableA_col_2'
#'_geom_extra_tableA_col_3'
#'_geom_extra_table_head_A'
#'_geom_table_footnote_A'
#'_geom_extra_tableB_col_1'
#'_geom_extra_tableB_col_2'
#'_geom_extra_tableB_col_3'
#'_geom_extra_table_head_B'
#'_geom_table_footnote_B'


#
#loop_
#_geom_extra_tableA_col_1
#_geom_extra_tableA_col_2
#_geom_extra_tableA_col_3
# ? ? ?


#
#loop_
#_geom_extra_tableB_col_1
#_geom_extra_tableB_col_2
#_geom_extra_tableB_col_3
# ? ? ?


#
#_geom_table_footnote_A
#;
# ?
#;


#
#_geom_table_footnote_B
#;
# ?
#;


#
#_geom_table_footnote_A
#;
# ?
#;


#
#_geom_table_footnote_B
#;
# ?
#;


#===END
####################################################################### 
# 
# 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_banhu9_0m_pl
_database_code_depnum_ccdc_archive 'CCDC 1854852'
_audit_update_record             
;
2018-07-10 deposited with the CCDC.
2018-10-29 downloaded from the CCDC.
;

#===============================================================================

# 5. CHEMICAL DATA

_chemical_formula_moiety         'C30 H45 Cu3 Zn2, 2(C10 H15 Zn)'
_chemical_formula_sum            'C50 H75 Cu3 Zn4'
_chemical_formula_weight         1128.31
_chemical_compound_source        'see text'

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'
Cu Cu 0.3201 1.2651 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

#===============================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yac'
_symmetry_space_group_name_H-M   'P n'
_symmetry_Int_Tables_number      7

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 1/2+x,-y,1/2+z

_cell_length_a                   16.1793(14)
_cell_length_b                   37.930(3)
_cell_length_c                   17.4798(15)
_cell_angle_alpha                90
_cell_angle_beta                 105.636(3)
_cell_angle_gamma                90
_cell_volume                     10330.1(15)
_cell_formula_units_Z            8
_cell_measurement_temperature    100
_cell_measurement_reflns_used    9661
_cell_measurement_theta_min      2.2756
_cell_measurement_theta_max      25.7206

_exptl_crystal_description       fragment
_exptl_crystal_colour            'clear red'

_exptl_crystal_size_max          0.192
_exptl_crystal_size_mid          0.132
_exptl_crystal_size_min          0.120
_exptl_crystal_size_rad          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             4656
_exptl_absorpt_coefficient_mu    3.067
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5, Bruker, 2014'
_exptl_absorpt_correction_T_min  0.6391
_exptl_absorpt_correction_T_max  0.7453


#===============================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           
;
Diffractometer operator             H. Banh
scanspeed                           10 s per frame
dx                                  72 mm
4243 frames measured in 16 data sets
phi-scans with delta_phi         = 0.5
omega-scans with delta_omega     = 0.5
;
_diffrn_ambient_temperature      100
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'TXS rotating anode'
_diffrn_radiation_monochromator  'HELIOS optic'


_diffrn_measurement_device       ' κ-geometry diffractometer '
_diffrn_measurement_device_type  ' Bruker Photon CMOS '
_diffrn_measurement_method       ' phi- and omega-rotation '
_diffrn_detector                 ' CMOS plate '
_diffrn_detector_area_resol_mean 16

# number of measured reflections (redundant set)
_diffrn_reflns_number            347810
_diffrn_reflns_av_R_equivalents  0.0510
_diffrn_reflns_av_unetI/netI     0.0273
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -45
_diffrn_reflns_limit_k_max       45
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.22
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_full        25.24
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_reduction_process 
;
;

# number of unique reflections
_reflns_number_total             37771
# number of observed reflections (> n sig(I))
_reflns_number_gt                34349
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'APEX III Control Software (Bruker, 2015)'
_computing_cell_refinement       'SAINT (Bruker, 2015)'
_computing_data_reduction        'SAINT (Bruker, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2014)'
_computing_structure_refinement  
'SHELXL2014 (Sheldrick, 2014), SHELXLE (Huebschle, 2011)'
_computing_molecular_graphics    'PLATON (Spek, 2011)'
_computing_publication_material  'PLATON (Spek, 2011), enCIFer (Allen, 2014)'

#===============================================================================

# 8. REFINEMENT DATA

_refine_special_details          
;
 Refinement on F² for ALL reflections except those
 flagged by the user for potential systematic errors.
 Weighted R-factors wR and all goodnesses of fit S
 are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The
 observed criterion of F² > 2sigma(F²) is used only
 for calculating -R-factor-obs etc. and is not
 relevant to the choice of reflections for refinement.
 R-factors based on F² are statistically about twice
 as large as those based on F, and R-factors based on
 ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'W=1/[Σ²(FO²)+(0.0271P)²+43.4399P] WHERE P=(FO²+2FC²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom

_refine_ls_hydrogen_treatment    constr

_refine_ls_extinction_method     none
_refine_ls_abs_structure_details 'Flack (1983)'
_refine_ls_abs_structure_Flack   0.542(19)


_chemical_absolute_configuration unk

_refine_ls_number_reflns         37771
_refine_ls_number_parameters     2248
_refine_ls_number_restraints     2087
_refine_ls_number_constraints    ?
_refine_ls_R_factor_all          0.0470
_refine_ls_R_factor_gt           0.0408
_refine_ls_wR_factor_ref         0.0993
_refine_ls_wR_factor_gt          0.0958
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_restrained_S_all      1.108
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.831
_refine_diff_density_min         -0.874
_refine_diff_density_rms         0.106

#===============================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn10 Zn Uani 0.79590(7) -0.45731(4) 0.98657(7) 1.000 0.0155(3) d . . .
Zn11 Zn Uani 0.55512(7) -0.44705(4) 1.00188(7) 1.000 0.0161(3) d . . .
Cu7 Cu Uani 0.70532(7) -0.43280(3) 1.06411(7) 1.000 0.0146(4) d . . .
Cu8 Cu Uani 0.66830(8) -0.48914(3) 0.99634(8) 1.000 0.0161(3) d . . .
Cu9 Cu Uani 0.65206(7) -0.43443(4) 0.92041(7) 1.000 0.0136(3) d . . .
Zn2 Zn Uani 0.36581(8) -0.19589(4) 0.98941(8) 1.000 0.0208(3) d . . .
Zn3 Zn Uani 0.12577(8) -0.20805(4) 1.00479(7) 1.000 0.0205(3) d . . .
Cu1 Cu Uani 0.25745(9) -0.23874(3) 1.00384(8) 1.000 0.0178(3) d . . .
Cu2 Cu Uani 0.26558(9) -0.18063(4) 1.06608(7) 1.000 0.0190(4) d . . .
Cu3 Cu Uani 0.21434(8) -0.18608(4) 0.92247(7) 1.000 0.0188(4) d . . .
Zn6 Zn Uani 0.87835(7) -0.30228(4) 0.49325(7) 1.000 0.0172(3) d . . .
Zn7 Zn Uani 0.63788(7) -0.29542(3) 0.51004(7) 1.000 0.0162(3) d . . .
Cu4 Cu Uani 0.78323(8) -0.31569(3) 0.57591(7) 1.000 0.0143(3) d . . .
Cu5 Cu Uani 0.72894(7) -0.31942(4) 0.43222(7) 1.000 0.0151(3) d . . .
Cu6 Cu Uani 0.76116(8) -0.26187(3) 0.49531(8) 1.000 0.0162(3) d . . .
Zn14 Zn Uani 0.28261(8) -0.04477(4) 0.47408(8) 1.000 0.0216(4) d . . .
Zn15 Zn Uani 0.04196(8) -0.05261(4) 0.49103(8) 1.000 0.0226(4) d . . .
Cu10 Cu Uani 0.19228(9) -0.06518(4) 0.55635(8) 1.000 0.0224(4) d . . .
Cu11 Cu Uani 0.13937(8) -0.06895(4) 0.41270(8) 1.000 0.0187(4) d . . .
Cu12 Cu Uani 0.15502(8) -0.01160(3) 0.47849(8) 1.000 0.0202(4) d . . .
Zn1 Zn Uani 0.50421(9) -0.19027(4) 0.97681(8) 1.000 0.0259(4) d . . .
Zn4 Zn Uani -0.01270(9) -0.21310(4) 1.01735(8) 1.000 0.0277(4) d . . .
Zn5 Zn Uani 1.01811(8) -0.30613(4) 0.48347(8) 1.000 0.0240(4) d . . .
Zn8 Zn Uani 0.49983(8) -0.29288(4) 0.52453(8) 1.000 0.0238(4) d . . .
Zn9 Zn Uani 0.93466(7) -0.46184(4) 0.97454(8) 1.000 0.0208(4) d . . .
Zn12 Zn Uani 0.41673(7) -0.44159(4) 1.01439(8) 1.000 0.0218(4) d . . .
Zn13 Zn Uani 0.42031(9) -0.04370(4) 0.45868(9) 1.000 0.0288(4) d . . .
Zn16 Zn Uani -0.09714(9) -0.05786(4) 0.50132(9) 1.000 0.0288(4) d . . .
C21B C Uani 0.701(3) -0.4240(12) 1.188(2) 0.259(10) 0.021(3) d UP A 2
C22B C Uani 0.672(3) -0.3955(13) 1.153(2) 0.259(10) 0.021(3) d UP A 2
C23B C Uani 0.729(3) -0.3783(10) 1.116(2) 0.259(10) 0.021(3) d UP A 2
C24B C Uani 0.807(3) -0.4021(12) 1.138(2) 0.259(10) 0.021(3) d UP A 2
C25B C Uani 0.789(3) -0.4293(11) 1.184(2) 0.259(10) 0.021(3) d UP A 2
C26B C Uani 0.638(2) -0.4443(9) 1.226(2) 0.259(10) 0.021(4) d UP A 2
C27B C Uani 0.585(2) -0.3758(9) 1.1429(19) 0.259(10) 0.022(4) d UP A 2
C28B C Uani 0.737(2) -0.3441(8) 1.0781(18) 0.259(10) 0.022(4) d UP A 2
C29B C Uani 0.896(2) -0.3937(8) 1.1306(18) 0.259(10) 0.022(3) d UP A 2
C30B C Uani 0.845(2) -0.4585(8) 1.2261(18) 0.259(10) 0.023(4) d UP A 2
C121 C Uani 0.7547(11) -0.4355(3) 1.1931(7) 0.741(10) 0.022(2) d UP A 1
C122 C Uani 0.6766(9) -0.4164(5) 1.1735(8) 0.741(10) 0.022(3) d UP A 1
C123 C Uani 0.6860(11) -0.3865(4) 1.1304(8) 0.741(10) 0.027(2) d UP A 1
C124 C Uani 0.7696(12) -0.3855(4) 1.1212(8) 0.741(10) 0.025(2) d UP A 1
C125 C Uani 0.8144(8) -0.4171(4) 1.1588(8) 0.741(10) 0.020(2) d UP A 1
C126 C Uani 0.7741(12) -0.4663(4) 1.2481(8) 0.741(10) 0.050(4) d UP A 1
C127 C Uani 0.5980(9) -0.4230(5) 1.2018(8) 0.741(10) 0.048(4) d UP A 1
C128 C Uani 0.6210(11) -0.3570(4) 1.1039(9) 0.741(10) 0.052(4) d UP A 1
C129 C Uani 0.8128(12) -0.3571(4) 1.0837(9) 0.741(10) 0.050(4) d UP A 1
C130 C Uani 0.9062(9) -0.4242(5) 1.1722(9) 0.741(10) 0.044(4) d UP A 1
C131 C Uani 0.6474(9) -0.5386(3) 0.9292(7) 1.000 0.038(2) d U . .
C132 C Uani 0.5835(8) -0.5351(3) 0.9703(7) 1.000 0.034(2) d U . .
C133 C Uani 0.6253(8) -0.5349(3) 1.0516(7) 1.000 0.036(2) d U . .
C134 C Uani 0.7160(8) -0.5387(3) 1.0570(8) 1.000 0.043(2) d U . .
C135 C Uani 0.7241(8) -0.5402(3) 0.9806(8) 1.000 0.042(2) d U . .
C136 C Uani 0.6216(11) -0.5445(3) 0.8380(8) 1.000 0.065(4) d U . .
C137 C Uani 0.4868(9) -0.5351(4) 0.9341(10) 1.000 0.062(4) d U . .
C138 C Uani 0.5867(10) -0.5357(4) 1.1202(8) 1.000 0.059(4) d U . .
C139 C Uani 0.7856(11) -0.5436(3) 1.1346(10) 1.000 0.085(4) d U . .
C140 C Uani 0.8062(9) -0.5489(3) 0.9600(10) 1.000 0.069(4) d U . .
C141 C Uani 0.6996(6) -0.3984(3) 0.8425(6) 1.000 0.020(3) d . . .
C142 C Uani 0.6248(7) -0.3833(3) 0.8581(6) 1.000 0.025(3) d . . .
C143 C Uani 0.5553(6) -0.4068(3) 0.8277(6) 1.000 0.026(3) d . . .
C144 C Uani 0.5851(7) -0.4357(3) 0.7936(6) 1.000 0.025(3) d . . .
C145 C Uani 0.6737(7) -0.4315(3) 0.8030(6) 1.000 0.020(3) d . . .
C146 C Uani 0.7858(8) -0.3811(4) 0.8576(8) 1.000 0.035(3) d . . .
C147 C Uani 0.6172(11) -0.3472(3) 0.8902(8) 1.000 0.051(5) d . . .
C148 C Uani 0.4620(8) -0.3988(4) 0.8239(7) 1.000 0.049(4) d . . .
C149 C Uani 0.5291(7) -0.4643(3) 0.7457(7) 1.000 0.040(4) d . . .
C150 C Uani 0.7316(7) -0.4537(3) 0.7678(7) 1.000 0.024(3) d . . .
C21 C Uani 0.2114(7) -0.2911(3) 0.9531(7) 1.000 0.038(3) d . . .
C22 C Uani 0.2086(7) -0.2889(3) 1.0356(7) 1.000 0.028(3) d . . .
C23 C Uani 0.2925(6) -0.2844(2) 1.0820(6) 1.000 0.021(3) d . . .
C24 C Uani 0.3474(6) -0.2820(3) 1.0340(6) 1.000 0.022(3) d . . .
C25 C Uani 0.2982(8) -0.2863(3) 0.9522(6) 1.000 0.031(3) d . . .
C26 C Uani 0.1366(10) -0.3007(3) 0.8852(9) 1.000 0.073(5) d . . .
C27 C Uani 0.1324(7) -0.2971(3) 1.0680(8) 1.000 0.046(4) d . . .
C28 C Uani 0.3166(12) -0.2858(3) 1.1720(7) 1.000 0.072(6) d . . .
C29 C Uani 0.4441(8) -0.2816(4) 1.0618(12) 1.000 0.065(6) d . . .
C30 C Uani 0.3419(14) -0.2890(4) 0.8862(9) 1.000 0.088(8) d . . .
C31 C Uani 0.3357(7) -0.1761(3) 1.1915(6) 1.000 0.0260(17) d U . .
C32 C Uani 0.2460(8) -0.1744(3) 1.1841(7) 1.000 0.0244(17) d U . .
C33 C Uani 0.2135(8) -0.1441(3) 1.1379(6) 1.000 0.0239(19) d U . .
C34 C Uani 0.2831(8) -0.1270(3) 1.1176(6) 1.000 0.0266(19) d U . .
C35 C Uani 0.3582(7) -0.1470(3) 1.1488(6) 1.000 0.0250(17) d U . .
C36 C Uani 0.4018(8) -0.2010(3) 1.2428(7) 1.000 0.040(3) d U . .
C37 C Uani 0.1985(8) -0.1978(4) 1.2240(7) 1.000 0.033(3) d U . .
C38 C Uani 0.1227(7) -0.1309(3) 1.1242(7) 1.000 0.030(3) d U . .
C39 C Uani 0.2838(8) -0.0923(3) 1.0770(7) 1.000 0.037(3) d U . .
C40 C Uani 0.4482(8) -0.1373(3) 1.1495(7) 1.000 0.040(3) d U . .
C41 C Uani 0.2317(7) -0.1431(3) 0.8438(6) 1.000 0.0313(19) d U . .
C42 C Uani 0.1434(8) -0.1414(3) 0.8561(6) 1.000 0.0305(19) d U . .
C43 C Uani 0.1025(7) -0.1732(3) 0.8244(6) 1.000 0.0307(19) d U . .
C44 C Uani 0.1549(7) -0.1927(3) 0.7954(6) 1.000 0.0309(19) d U . .
C45 C Uani 0.2328(7) -0.1776(3) 0.8054(6) 1.000 0.0270(19) d U . .
C46 C Uani 0.3002(9) -0.1152(3) 0.8582(6) 1.000 0.050(3) d U . .
C47 C Uani 0.1035(11) -0.1117(4) 0.8872(7) 1.000 0.062(4) d U . .
C48 C Uani 0.0059(8) -0.1795(4) 0.8144(8) 1.000 0.055(3) d U . .
C49 C Uani 0.1286(8) -0.2279(3) 0.7496(7) 1.000 0.047(3) d U . .
C50 C Uani 0.3054(8) -0.1887(3) 0.7730(7) 1.000 0.046(3) d U . .
C71 C Uani 0.8833(7) -0.3413(3) 0.6698(6) 1.000 0.025(3) d . . .
C72 C Uani 0.8155(7) -0.3657(3) 0.6409(6) 1.000 0.024(3) d . . .
C73 C Uani 0.7397(7) -0.3523(3) 0.6541(6) 1.000 0.021(3) d . . .
C74 C Uani 0.7593(7) -0.3188(3) 0.6923(6) 1.000 0.023(3) d . . .
C75 C Uani 0.8484(6) -0.3118(2) 0.7032(6) 1.000 0.017(3) d . . .
C76 C Uani 0.9745(7) -0.3463(4) 0.6768(7) 1.000 0.045(4) d . . .
C77 C Uani 0.8261(10) -0.4020(3) 0.6096(8) 1.000 0.050(5) d . . .
C78 C Uani 0.6537(7) -0.3706(3) 0.6382(6) 1.000 0.031(3) d . . .
C79 C Uani 0.7010(9) -0.2975(4) 0.7258(8) 1.000 0.040(4) d . . .
C80 C Uani 0.9008(8) -0.2819(3) 0.7477(7) 1.000 0.045(4) d . . .
C81 C Uani 0.6310(8) -0.3563(4) 0.3650(7) 1.000 0.045(2) d U . .
C82 C Uani 0.7080(9) -0.3723(3) 0.3775(7) 1.000 0.047(2) d U . .
C83 C Uani 0.7603(8) -0.3540(4) 0.3453(7) 1.000 0.048(2) d U . .
C84 C Uani 0.7137(9) -0.3230(3) 0.3054(7) 1.000 0.047(2) d U . .
C85 C Uani 0.6320(9) -0.3255(4) 0.3197(7) 1.000 0.046(2) d U . .
C86 C Uani 0.5544(10) -0.3710(4) 0.3846(9) 1.000 0.080(4) d U . .
C87 C Uani 0.7280(12) -0.4094(4) 0.4137(9) 1.000 0.091(4) d U . .
C88 C Uani 0.8454(9) -0.3664(5) 0.3385(10) 1.000 0.089(4) d U . .
C89 C Uani 0.7509(12) -0.2991(4) 0.2579(8) 1.000 0.084(4) d U . .
C90 C Uani 0.5551(11) -0.3023(4) 0.2850(9) 1.000 0.089(4) d U . .
C91 C Uani 0.7676(8) -0.2116(3) 0.5587(8) 1.000 0.038(2) d U . .
C92 C Uani 0.6932(7) -0.2121(3) 0.4886(8) 1.000 0.0363(19) d U . .
C93 C Uani 0.7248(7) -0.2146(3) 0.4212(7) 1.000 0.036(2) d U . .
C94 C Uani 0.8131(7) -0.2166(3) 0.4458(7) 1.000 0.0314(19) d U . .
C95 C Uani 0.8393(7) -0.2151(3) 0.5299(7) 1.000 0.0317(19) d U . .
C96 C Uani 0.7608(10) -0.2055(3) 0.6406(8) 1.000 0.059(4) d U . .
C97 C Uani 0.6021(8) -0.2044(3) 0.4902(10) 1.000 0.063(4) d U . .
C98 C Uani 0.6708(9) -0.2103(3) 0.3365(8) 1.000 0.066(4) d U . .
C99 C Uani 0.8750(8) -0.2158(3) 0.3954(8) 1.000 0.046(3) d U . .
C100 C Uani 0.9314(8) -0.2122(4) 0.5812(9) 1.000 0.054(3) d U . .
C171 C Uani 0.2687(8) -0.1088(4) 0.6210(7) 1.000 0.040(2) d U . .
C172 C Uani 0.1823(8) -0.1113(4) 0.6285(6) 1.000 0.045(2) d U . .
C173 C Uani 0.1693(7) -0.0792(4) 0.6691(6) 1.000 0.044(2) d U . .
C174 C Uani 0.2458(8) -0.0593(3) 0.6851(6) 1.000 0.046(2) d U . .
C175 C Uani 0.3027(8) -0.0771(4) 0.6555(7) 1.000 0.043(2) d U . .
C176 C Uani 0.3105(10) -0.1384(4) 0.5874(8) 1.000 0.065(4) d U . .
C177 C Uani 0.1228(10) -0.1417(4) 0.6078(8) 1.000 0.080(4) d U . .
C178 C Uani 0.0927(9) -0.0702(5) 0.6983(7) 1.000 0.072(4) d U . .
C179 C Uani 0.2634(10) -0.0266(4) 0.7365(7) 1.000 0.071(4) d U . .
C180 C Uani 0.3972(8) -0.0693(4) 0.6683(7) 1.000 0.063(4) d U . .
C181 C Uani 0.1879(7) -0.1065(3) 0.3391(6) 1.000 0.026(3) d . . .
C182 C Uani 0.1579(7) -0.0747(3) 0.2940(6) 1.000 0.020(3) d . . .
C183 C Uani 0.0688(7) -0.0721(3) 0.2866(6) 1.000 0.028(3) d . . .
C184 C Uani 0.0423(7) -0.0999(3) 0.3279(7) 1.000 0.035(3) d . . .
C185 C Uani 0.1159(8) -0.1225(3) 0.3587(7) 1.000 0.034(3) d . . .
C186 C Uani 0.2750(8) -0.1218(4) 0.3530(8) 1.000 0.041(4) d . . .
C187 C Uani 0.2130(9) -0.0523(4) 0.2538(7) 1.000 0.038(4) d . . .
C188 C Uani 0.0104(9) -0.0451(4) 0.2365(8) 1.000 0.050(4) d . . .
C189 C Uani -0.0496(8) -0.1091(4) 0.3268(9) 1.000 0.061(5) d . . .
C190 C Uani 0.1124(13) -0.1573(4) 0.3966(9) 1.000 0.071(6) d . . .
C191 C Uani 0.2024(8) 0.0400(3) 0.5337(8) 1.000 0.040(2) d U . .
C192 C Uani 0.1124(8) 0.0361(3) 0.5275(8) 1.000 0.038(2) d U . .
C193 C Uani 0.0678(7) 0.0336(3) 0.4457(8) 1.000 0.034(2) d U . .
C194 C Uani 0.1319(7) 0.0356(3) 0.4022(7) 1.000 0.033(2) d U . .
C195 C Uani 0.2141(7) 0.0388(3) 0.4582(8) 1.000 0.035(2) d U . .
C196 C Uani 0.2752(10) 0.0475(3) 0.6073(9) 1.000 0.068(4) d U . .
C197 C Uani 0.0789(10) 0.0396(4) 0.5995(10) 1.000 0.061(4) d U . .
C198 C Uani -0.0259(8) 0.0330(4) 0.4114(10) 1.000 0.052(4) d U . .
C199 C Uani 0.1103(9) 0.0388(3) 0.3128(7) 1.000 0.050(3) d U . .
C200 C Uani 0.2957(8) 0.0466(3) 0.4369(9) 1.000 0.055(4) d U . .
C1 C Uani 0.6388(7) -0.1715(4) 1.0204(8) 1.000 0.041(2) d U . .
C2 C Uani 0.6082(8) -0.1586(3) 0.9448(9) 1.000 0.044(2) d U . .
C3 C Uani 0.5882(8) -0.1869(4) 0.8931(8) 1.000 0.045(2) d U . .
C4 C Uani 0.6075(9) -0.2177(4) 0.9362(8) 1.000 0.044(2) d U . .
C5 C Uani 0.6402(8) -0.2092(4) 1.0150(8) 1.000 0.043(2) d U . .
C6 C Uani 0.6718(8) -0.1496(4) 1.0961(9) 1.000 0.067(4) d U . .
C7 C Uani 0.5985(9) -0.1206(3) 0.9188(10) 1.000 0.062(4) d U . .
C8 C Uani 0.5565(9) -0.1861(4) 0.8017(8) 1.000 0.062(4) d U . .
C9 C Uani 0.6009(9) -0.2556(3) 0.9043(9) 1.000 0.061(4) d U . .
C10 C Uani 0.6746(8) -0.2325(4) 1.0881(8) 1.000 0.062(4) d U . .
C11 C Uani -0.1052(8) -0.2369(4) 1.0796(7) 1.000 0.0339(19) d U . .
C12 C Uani -0.1375(6) -0.2421(3) 0.9972(6) 1.000 0.0319(17) d U . .
C13 C Uani -0.1565(6) -0.2083(3) 0.9624(7) 1.000 0.0324(19) d U . .
C14 C Uani -0.1329(7) -0.1829(3) 1.0224(8) 1.000 0.038(2) d U . .
C15 C Uani -0.0998(7) -0.2008(4) 1.0967(7) 1.000 0.039(2) d U . .
C16 C Uani -0.0826(9) -0.2671(4) 1.1392(9) 1.000 0.063(4) d U . .
C17 C Uani -0.1572(8) -0.2778(3) 0.9574(8) 1.000 0.053(3) d U . .
C18 C Uani -0.1976(8) -0.2014(4) 0.8765(7) 1.000 0.054(3) d U . .
C19 C Uani -0.1416(8) -0.1442(3) 1.0167(10) 1.000 0.062(4) d U . .
C20 C Uani -0.0725(10) -0.1860(5) 1.1785(9) 1.000 0.070(4) d U . .
C51 C Uani 1.1063(6) -0.3276(3) 0.4134(7) 1.000 0.031(2) d U . .
C52 C Uani 1.1361(6) -0.3394(3) 0.4959(7) 1.000 0.031(2) d U . .
C53 C Uani 1.1589(6) -0.3095(3) 0.5418(6) 1.000 0.028(2) d U . .
C54 C Uani 1.1454(7) -0.2797(3) 0.4948(7) 1.000 0.029(2) d U . .
C55 C Uani 1.1118(7) -0.2908(3) 0.4149(7) 1.000 0.031(2) d U . .
C56 C Uani 1.0774(9) -0.3519(5) 0.3439(10) 1.000 0.077(6) d . . .
C57 C Uani 1.1445(9) -0.3772(3) 0.5242(12) 1.000 0.080(7) d . . .
C58 C Uani 1.1967(7) -0.3091(4) 0.6318(7) 1.000 0.048(4) d . . .
C59 C Uani 1.1651(8) -0.2418(3) 0.5231(9) 1.000 0.048(4) d . . .
C60 C Uani 1.0892(9) -0.2676(4) 0.3424(8) 1.000 0.065(6) d . . .
C61 C Uani 0.3609(6) -0.3086(4) 0.4814(8) 1.000 0.047(2) d U . .
C62 C Uani 0.3657(7) -0.2706(4) 0.4867(7) 1.000 0.044(2) d U . .
C63 C Uani 0.4009(8) -0.2621(4) 0.5662(8) 1.000 0.039(2) d U . .
C64 C Uani 0.4159(7) -0.2933(4) 0.6109(7) 1.000 0.042(2) d U . .
C65 C Uani 0.3923(7) -0.3214(4) 0.5611(8) 1.000 0.046(2) d U . .
C66 C Uani 0.3229(8) -0.3314(5) 0.4098(9) 1.000 0.078(4) d U . .
C67 C Uani 0.3333(9) -0.2484(5) 0.4146(8) 1.000 0.073(4) d U . .
C68 C Uani 0.4094(9) -0.2246(4) 0.5946(9) 1.000 0.062(4) d U . .
C69 C Uani 0.4484(8) -0.2938(4) 0.7001(7) 1.000 0.062(4) d U . .
C70 C Uani 0.3952(9) -0.3596(4) 0.5875(11) 1.000 0.075(4) d U . .
C101 C Uani 1.0594(7) -0.4919(3) 0.9930(7) 1.000 0.0350(12) d U . .
C102 C Uani 1.0767(6) -0.4594(3) 1.0303(7) 1.000 0.0346(12) d U . .
C103 C Uani 1.0544(7) -0.4321(3) 0.9715(7) 1.000 0.0350(12) d U . .
C104 C Uani 1.0223(7) -0.4499(3) 0.8963(7) 1.000 0.0354(12) d U . .
C105 C Uani 1.0264(8) -0.4863(4) 0.9105(7) 1.000 0.0352(12) d U . .
C106 C Uani 1.0770(7) -0.5268(3) 1.0337(7) 1.000 0.0396(17) d U . .
C107 C Uani 1.1165(6) -0.4524(3) 1.1182(6) 1.000 0.0370(17) d U . .
C108 C Uani 1.0661(6) -0.3932(3) 0.9905(7) 1.000 0.0393(17) d U . .
C109 C Uani 0.9929(7) -0.4324(3) 0.8163(7) 1.000 0.0409(17) d U . .
C110 C Uani 0.9988(7) -0.5144(3) 0.8489(7) 1.000 0.0399(17) d U . .
C111 C Uani 0.3137(7) -0.4671(3) 1.0613(8) 1.000 0.0322(19) d U . .
C112 C Uani 0.2811(7) -0.4610(3) 0.9780(8) 1.000 0.034(2) d U . .
C113 C Uani 0.2793(6) -0.4242(3) 0.9640(7) 1.000 0.033(2) d U . .
C114 C Uani 0.3125(6) -0.4077(3) 1.0401(8) 1.000 0.0331(19) d U . .
C115 C Uani 0.3329(7) -0.4334(3) 1.0984(7) 1.000 0.032(2) d U . .
C116 C Uani 0.3223(9) -0.5010(4) 1.1035(10) 1.000 0.064(4) d U . .
C117 C Uani 0.2468(8) -0.4890(4) 0.9171(9) 1.000 0.061(4) d U . .
C118 C Uani 0.2451(8) -0.4060(4) 0.8864(8) 1.000 0.066(4) d U . .
C119 C Uani 0.3186(8) -0.3683(3) 1.0546(10) 1.000 0.064(4) d U . .
C120 C Uani 0.3654(8) -0.4271(4) 1.1848(8) 1.000 0.058(3) d U . .
C151 C Uani 0.5538(7) -0.0643(4) 0.4984(7) 1.000 0.042(2) d U . .
C152 C Uani 0.5550(7) -0.0264(4) 0.5011(7) 1.000 0.042(2) d U . .
C153 C Uani 0.5184(8) -0.0142(4) 0.4166(7) 1.000 0.036(2) d U . .
C154 C Uani 0.5002(7) -0.0452(3) 0.3713(6) 1.000 0.034(2) d U . .
C155 C Uani 0.5220(7) -0.0754(3) 0.4208(7) 1.000 0.039(2) d U . .
C156 C Uani 0.5898(9) -0.0873(4) 0.5706(8) 1.000 0.068(4) d U . .
C157 C Uani 0.5864(9) -0.0012(5) 0.5680(9) 1.000 0.076(4) d U . .
C158 C Uani 0.5077(10) 0.0214(4) 0.3827(9) 1.000 0.061(4) d U . .
C159 C Uani 0.4661(8) -0.0474(4) 0.2808(6) 1.000 0.045(3) d U . .
C160 C Uani 0.5131(9) -0.1136(3) 0.3946(9) 1.000 0.060(4) d U . .
C161 C Uani -0.2149(7) -0.0910(2) 0.4896(7) 1.000 0.032(3) d . . .
C162 C Uani -0.2380(6) -0.0604(3) 0.4403(6) 1.000 0.027(3) d . . .
C163 C Uani -0.2242(7) -0.0303(2) 0.4928(7) 1.000 0.027(3) d . . .
C164 C Uani -0.1907(7) -0.0424(3) 0.5715(7) 1.000 0.035(3) d . . .
C165 C Uani -0.1838(7) -0.0808(3) 0.5684(7) 1.000 0.033(3) d . . .
C166 C Uani -0.2235(8) -0.1288(3) 0.4601(8) 1.000 0.048(4) d . . .
C167 C Uani -0.2801(7) -0.0600(3) 0.3535(6) 1.000 0.036(3) d . . .
C168 C Uani -0.2416(7) 0.0070(2) 0.4658(7) 1.000 0.036(4) d . . .
C169 C Uani -0.1684(9) -0.0203(4) 0.6458(8) 1.000 0.060(5) d . . .
C170 C Uani -0.1586(8) -0.1045(4) 0.6409(7) 1.000 0.059(5) d . . .
H12A H Uiso 0.72350 -0.48160 1.23850 0.741(10) 0.0740 c RUP A 1
H12B H Uiso 0.78910 -0.45800 1.30320 0.741(10) 0.0740 c RUP A 1
H12C H Uiso 0.82230 -0.47970 1.23860 0.741(10) 0.0740 c RUP A 1
H12D H Uiso 0.54700 -0.41480 1.16150 0.741(10) 0.0730 c RUP A 1
H12E H Uiso 0.60300 -0.41020 1.25150 0.741(10) 0.0730 c RUP A 1
H12F H Uiso 0.59280 -0.44830 1.21080 0.741(10) 0.0730 c RUP A 1
H12G H Uiso 0.63700 -0.34270 1.06350 0.741(10) 0.0790 c RUP A 1
H12H H Uiso 0.62020 -0.34220 1.14960 0.741(10) 0.0790 c RUP A 1
H12I H Uiso 0.56390 -0.36720 1.08140 0.741(10) 0.0790 c RUP A 1
H12J H Uiso 0.84810 -0.36830 1.05290 0.741(10) 0.0740 c RUP A 1
H12K H Uiso 0.84920 -0.34240 1.12560 0.741(10) 0.0740 c RUP A 1
H12L H Uiso 0.76880 -0.34240 1.04850 0.741(10) 0.0740 c RUP A 1
H13A H Uiso 0.80620 -0.56800 1.13860 1.000 0.1280 c RU . .
H13B H Uiso 0.76190 -0.53830 1.17940 1.000 0.1280 c RU . .
H13C H Uiso 0.83340 -0.52750 1.13580 1.000 0.1280 c RU . .
H13D H Uiso 0.55300 -0.51420 1.12000 1.000 0.0880 c RU . .
H13E H Uiso 0.63250 -0.53700 1.16990 1.000 0.0880 c RU . .
H13F H Uiso 0.54930 -0.55640 1.11560 1.000 0.0880 c RU . .
H13G H Uiso 0.47180 -0.51750 0.89170 1.000 0.0930 c RU . .
H13H H Uiso 0.45810 -0.52940 0.97520 1.000 0.0930 c RU . .
H13I H Uiso 0.46840 -0.55850 0.91210 1.000 0.0930 c RU . .
H13J H Uiso 0.56120 -0.53800 0.81590 1.000 0.0980 c RU . .
H13K H Uiso 0.62950 -0.56930 0.82660 1.000 0.0980 c RU . .
H13L H Uiso 0.65770 -0.52980 0.81390 1.000 0.0980 c RU . .
H13M H Uiso 0.91500 -0.44960 1.16770 0.741(10) 0.0660 c RUP A 1
H13N H Uiso 0.93730 -0.41620 1.22540 0.741(10) 0.0660 c RUP A 1
H13O H Uiso 0.92760 -0.41170 1.13240 0.741(10) 0.0660 c RUP A 1
H14A H Uiso 0.50380 -0.45590 0.69140 1.000 0.0600 c RU . .
H14B H Uiso 0.48320 -0.47030 0.77040 1.000 0.0600 c RU . .
H14C H Uiso 0.56390 -0.48530 0.74430 1.000 0.0600 c RU . .
H14D H Uiso 0.43400 -0.38780 0.77280 1.000 0.0740 c RU . .
H14E H Uiso 0.45970 -0.38270 0.86720 1.000 0.0740 c RU . .
H14F H Uiso 0.43230 -0.42080 0.82940 1.000 0.0740 c RU . .
H14G H Uiso 0.59060 -0.33130 0.84630 1.000 0.0760 c RU . .
H14H H Uiso 0.67440 -0.33850 0.91780 1.000 0.0760 c RU . .
H14I H Uiso 0.58160 -0.34830 0.92750 1.000 0.0760 c RU . .
H14J H Uiso 0.79460 -0.37300 0.80710 1.000 0.0520 c RU . .
H14K H Uiso 0.83070 -0.39810 0.88240 1.000 0.0520 c RU . .
H14L H Uiso 0.78840 -0.36090 0.89310 1.000 0.0520 c RU . .
H14M H Uiso 0.81110 -0.57450 0.95520 1.000 0.1040 c RU . .
H14N H Uiso 0.85510 -0.54020 1.00190 1.000 0.1040 c RU . .
H14O H Uiso 0.80610 -0.53770 0.90940 1.000 0.1040 c RU . .
H15A H Uiso 0.70580 -0.47700 0.75410 1.000 0.0360 c RU . .
H15B H Uiso 0.78760 -0.45620 0.80660 1.000 0.0360 c RU . .
H15C H Uiso 0.73890 -0.44220 0.71980 1.000 0.0360 c RU . .
H26A H Uiso 0.66600 -0.46580 1.25150 0.259(10) 0.0310 c RUP A 2
H26B H Uiso 0.62230 -0.42930 1.26500 0.259(10) 0.0310 c RUP A 2
H26C H Uiso 0.58650 -0.45060 1.18380 0.259(10) 0.0310 c RUP A 2
H27A H Uiso 0.56910 -0.36360 1.09160 0.259(10) 0.0330 c RUP A 2
H27B H Uiso 0.59070 -0.35860 1.18580 0.259(10) 0.0330 c RUP A 2
H27C H Uiso 0.54010 -0.39290 1.14490 0.259(10) 0.0330 c RUP A 2
H28A H Uiso 0.74380 -0.34820 1.02480 0.259(10) 0.0320 c RUP A 2
H28B H Uiso 0.78710 -0.33140 1.11030 0.259(10) 0.0320 c RUP A 2
H28C H Uiso 0.68510 -0.33000 1.07420 0.259(10) 0.0320 c RUP A 2
H29D H Uiso 0.92840 -0.41560 1.13200 0.259(10) 0.0320 c RUP A 2
H29E H Uiso 0.92580 -0.37850 1.17480 0.259(10) 0.0320 c RUP A 2
H29F H Uiso 0.89160 -0.38150 1.08020 0.259(10) 0.0320 c RUP A 2
H30A H Uiso 0.81160 -0.47470 1.24970 0.259(10) 0.0340 c RUP A 2
H30B H Uiso 0.89240 -0.44860 1.26810 0.259(10) 0.0340 c RUP A 2
H30C H Uiso 0.86870 -0.47140 1.18810 0.259(10) 0.0340 c RUP A 2
H26D H Uiso 0.15430 -0.30080 0.83590 1.000 0.1100 c RU . .
H26E H Uiso 0.09050 -0.28340 0.88110 1.000 0.1100 c RU . .
H26F H Uiso 0.11580 -0.32420 0.89430 1.000 0.1100 c RU . .
H27D H Uiso 0.07900 -0.29450 1.02550 1.000 0.0690 c RU . .
H27E H Uiso 0.13200 -0.28080 1.11140 1.000 0.0690 c RU . .
H27F H Uiso 0.13700 -0.32140 1.08800 1.000 0.0690 c RU . .
H28D H Uiso 0.27320 -0.27330 1.19130 1.000 0.1070 c RU . .
H28E H Uiso 0.37260 -0.27450 1.19330 1.000 0.1070 c RU . .
H28F H Uiso 0.31960 -0.31040 1.18950 1.000 0.1070 c RU . .
H29A H Uiso 0.46570 -0.30580 1.06490 1.000 0.0970 c RU . .
H29B H Uiso 0.46260 -0.27060 1.11430 1.000 0.0970 c RU . .
H29C H Uiso 0.46680 -0.26810 1.02410 1.000 0.0970 c RU . .
H30D H Uiso 0.34800 -0.31390 0.87370 1.000 0.1340 c RU . .
H30E H Uiso 0.39870 -0.27800 0.90320 1.000 0.1340 c RU . .
H30F H Uiso 0.30720 -0.27680 0.83890 1.000 0.1340 c RU . .
H36A H Uiso 0.37230 -0.22010 1.26260 1.000 0.0600 c RU . .
H36B H Uiso 0.43810 -0.18790 1.28780 1.000 0.0600 c RU . .
H36C H Uiso 0.43760 -0.21100 1.21100 1.000 0.0600 c RU . .
H37A H Uiso 0.13700 -0.19620 1.19770 1.000 0.0490 c RU . .
H37B H Uiso 0.20920 -0.19090 1.27980 1.000 0.0490 c RU . .
H37C H Uiso 0.21770 -0.22220 1.22110 1.000 0.0490 c RU . .
H38A H Uiso 0.10750 -0.11620 1.07630 1.000 0.0450 c RU . .
H38B H Uiso 0.11820 -0.11680 1.17000 1.000 0.0450 c RU . .
H38C H Uiso 0.08340 -0.15100 1.11740 1.000 0.0450 c RU . .
H39A H Uiso 0.30750 -0.09540 1.03140 1.000 0.0560 c RU . .
H39B H Uiso 0.31930 -0.07550 1.11440 1.000 0.0560 c RU . .
H39C H Uiso 0.22500 -0.08320 1.05860 1.000 0.0560 c RU . .
H40A H Uiso 0.44780 -0.12500 1.10010 1.000 0.0590 c RU . .
H40B H Uiso 0.48300 -0.15880 1.15390 1.000 0.0590 c RU . .
H40C H Uiso 0.47280 -0.12190 1.19490 1.000 0.0590 c RU . .
H46A H Uiso 0.31270 -0.10920 0.80800 1.000 0.0750 c RU . .
H46B H Uiso 0.35240 -0.12420 0.89580 1.000 0.0750 c RU . .
H46C H Uiso 0.28030 -0.09420 0.88040 1.000 0.0750 c RU . .
H47A H Uiso 0.14340 -0.09170 0.89830 1.000 0.0930 c RU . .
H47B H Uiso 0.09000 -0.11890 0.93630 1.000 0.0930 c RU . .
H47C H Uiso 0.05060 -0.10470 0.84770 1.000 0.0930 c RU . .
H48A H Uiso -0.02770 -0.16490 0.77080 1.000 0.0830 c RU . .
H48B H Uiso -0.00830 -0.17320 0.86370 1.000 0.0830 c RU . .
H48C H Uiso -0.00750 -0.20440 0.80240 1.000 0.0830 c RU . .
H49A H Uiso 0.11080 -0.22320 0.69240 1.000 0.0700 c RU . .
H49B H Uiso 0.08070 -0.23860 0.76580 1.000 0.0700 c RU . .
H49C H Uiso 0.17750 -0.24410 0.76180 1.000 0.0700 c RU . .
H50A H Uiso 0.29840 -0.17800 0.72060 1.000 0.0690 c RU . .
H50B H Uiso 0.30560 -0.21440 0.76820 1.000 0.0690 c RU . .
H50C H Uiso 0.35980 -0.18090 0.80900 1.000 0.0690 c RU . .
H10D H Uiso 0.96520 -0.23180 0.56870 1.000 0.0810 c RU . .
H10E H Uiso 0.93220 -0.21330 0.63740 1.000 0.0810 c RU . .
H10F H Uiso 0.95610 -0.18980 0.57040 1.000 0.0810 c RU . .
H76A H Uiso 0.98140 -0.35890 0.63000 1.000 0.0680 c RU . .
H76B H Uiso 1.00060 -0.36010 0.72470 1.000 0.0680 c RU . .
H76C H Uiso 1.00280 -0.32330 0.68040 1.000 0.0680 c RU . .
H77A H Uiso 0.77080 -0.41010 0.57560 1.000 0.0750 c RU . .
H77B H Uiso 0.84600 -0.41830 0.65420 1.000 0.0750 c RU . .
H77C H Uiso 0.86820 -0.40110 0.57850 1.000 0.0750 c RU . .
H78A H Uiso 0.60760 -0.35300 0.62310 1.000 0.0460 c RU . .
H78B H Uiso 0.64960 -0.38290 0.68630 1.000 0.0460 c RU . .
H78C H Uiso 0.64800 -0.38760 0.59500 1.000 0.0460 c RU . .
H79A H Uiso 0.70900 -0.27240 0.71620 1.000 0.0590 c RU . .
H79B H Uiso 0.71390 -0.30170 0.78320 1.000 0.0590 c RU . .
H79C H Uiso 0.64140 -0.30420 0.70040 1.000 0.0590 c RU . .
H80A H Uiso 0.93680 -0.27200 0.71600 1.000 0.0670 c RU . .
H80B H Uiso 0.93740 -0.29050 0.79840 1.000 0.0670 c RU . .
H80C H Uiso 0.86240 -0.26350 0.75780 1.000 0.0670 c RU . .
H86A H Uiso 0.52760 -0.38880 0.34490 1.000 0.1190 c RU . .
H86B H Uiso 0.51330 -0.35210 0.38450 1.000 0.1190 c RU . .
H86C H Uiso 0.57160 -0.38200 0.43730 1.000 0.1190 c RU . .
H87A H Uiso 0.68010 -0.41750 0.43360 1.000 0.1360 c RU . .
H87B H Uiso 0.73600 -0.42580 0.37290 1.000 0.1360 c RU . .
H87C H Uiso 0.78040 -0.40860 0.45760 1.000 0.1360 c RU . .
H88A H Uiso 0.83700 -0.38280 0.29370 1.000 0.1330 c RU . .
H88B H Uiso 0.87570 -0.37850 0.38760 1.000 0.1330 c RU . .
H88C H Uiso 0.87930 -0.34620 0.32970 1.000 0.1330 c RU . .
H89A H Uiso 0.75050 -0.31050 0.20750 1.000 0.1260 c RU . .
H89B H Uiso 0.81010 -0.29350 0.28710 1.000 0.1260 c RU . .
H89C H Uiso 0.71700 -0.27740 0.24730 1.000 0.1260 c RU . .
H90A H Uiso 0.57410 -0.27780 0.28410 1.000 0.1330 c RU . .
H90B H Uiso 0.51470 -0.30400 0.31760 1.000 0.1330 c RU . .
H90C H Uiso 0.52690 -0.31000 0.23070 1.000 0.1330 c RU . .
H96A H Uiso 0.74860 -0.18050 0.64710 1.000 0.0880 c RU . .
H96B H Uiso 0.81500 -0.21190 0.67880 1.000 0.0880 c RU . .
H96C H Uiso 0.71420 -0.21990 0.65000 1.000 0.0880 c RU . .
H97A H Uiso 0.59420 -0.17890 0.49330 1.000 0.0950 c RU . .
H97B H Uiso 0.59070 -0.21590 0.53660 1.000 0.0950 c RU . .
H97C H Uiso 0.56230 -0.21360 0.44170 1.000 0.0950 c RU . .
H98A H Uiso 0.69280 -0.22580 0.30160 1.000 0.0990 c RU . .
H98B H Uiso 0.67360 -0.18580 0.31980 1.000 0.0990 c RU . .
H98C H Uiso 0.61120 -0.21650 0.33310 1.000 0.0990 c RU . .
H99A H Uiso 0.84900 -0.22740 0.34460 1.000 0.0680 c RU . .
H99B H Uiso 0.92780 -0.22820 0.42300 1.000 0.0680 c RU . .
H99C H Uiso 0.88850 -0.19130 0.38580 1.000 0.0680 c RU . .
H17G H Uiso 0.26620 -0.15440 0.55680 1.000 0.0980 c RU . .
H17H H Uiso 0.34930 -0.15140 0.63100 1.000 0.0980 c RU . .
H17I H Uiso 0.34320 -0.12860 0.55270 1.000 0.0980 c RU . .
H17J H Uiso 0.06870 -0.13400 0.57110 1.000 0.1200 c RU . .
H17K H Uiso 0.11150 -0.15120 0.65620 1.000 0.1200 c RU . .
H17L H Uiso 0.14880 -0.16010 0.58240 1.000 0.1200 c RU . .
H17M H Uiso 0.07270 -0.04640 0.68040 1.000 0.1070 c RU . .
H17N H Uiso 0.10880 -0.07100 0.75650 1.000 0.1070 c RU . .
H17O H Uiso 0.04670 -0.08720 0.67710 1.000 0.1070 c RU . .
H17P H Uiso 0.30340 -0.01130 0.71890 1.000 0.1060 c RU . .
H17Q H Uiso 0.28870 -0.03350 0.79200 1.000 0.1060 c RU . .
H17R H Uiso 0.20950 -0.01400 0.73210 1.000 0.1060 c RU . .
H18D H Uiso 0.22550 -0.06580 0.21040 1.000 0.0570 c RU . .
H18E H Uiso 0.26680 -0.04600 0.29280 1.000 0.0570 c RU . .
H18F H Uiso 0.18180 -0.03080 0.23240 1.000 0.0570 c RU . .
H18G H Uiso 0.28590 -0.12750 0.30200 1.000 0.0620 c RU . .
H18H H Uiso 0.27910 -0.14320 0.38500 1.000 0.0620 c RU . .
H18I H Uiso 0.31770 -0.10460 0.38140 1.000 0.0620 c RU . .
H18J H Uiso 0.41820 -0.08170 0.62800 1.000 0.0940 c RU . .
H18K H Uiso 0.42910 -0.07740 0.72130 1.000 0.0940 c RU . .
H18L H Uiso 0.40550 -0.04390 0.66400 1.000 0.0940 c RU . .
H18M H Uiso -0.07510 -0.12380 0.28040 1.000 0.0920 c RU . .
H18N H Uiso -0.08300 -0.08730 0.32410 1.000 0.0920 c RU . .
H18O H Uiso -0.04970 -0.12200 0.37540 1.000 0.0920 c RU . .
H18P H Uiso 0.04490 -0.02630 0.22220 1.000 0.0750 c RU . .
H18Q H Uiso -0.02710 -0.03510 0.26660 1.000 0.0750 c RU . .
H18R H Uiso -0.02460 -0.05630 0.18810 1.000 0.0750 c RU . .
H19D H Uiso 0.08590 -0.17460 0.35570 1.000 0.1070 c RU . .
H19E H Uiso 0.07810 -0.15530 0.43490 1.000 0.1070 c RU . .
H19F H Uiso 0.17070 -0.16490 0.42410 1.000 0.1070 c RU . .
H19G H Uiso 0.15480 0.02710 0.29350 1.000 0.0740 c RU . .
H19H H Uiso 0.10730 0.06370 0.29790 1.000 0.0740 c RU . .
H19I H Uiso 0.05470 0.02750 0.28900 1.000 0.0740 c RU . .
H19J H Uiso -0.04580 0.05660 0.39220 1.000 0.0780 c RU . .
H19K H Uiso -0.05380 0.02580 0.45220 1.000 0.0780 c RU . .
H19L H Uiso -0.04050 0.01630 0.36710 1.000 0.0780 c RU . .
H19M H Uiso 0.05770 0.06370 0.60220 1.000 0.0900 c RU . .
H19N H Uiso 0.12520 0.03470 0.64740 1.000 0.0900 c RU . .
H19O H Uiso 0.03190 0.02280 0.59570 1.000 0.0900 c RU . .
H19P H Uiso 0.32440 0.03250 0.60720 1.000 0.1020 c RU . .
H19Q H Uiso 0.25600 0.04260 0.65490 1.000 0.1020 c RU . .
H19R H Uiso 0.29200 0.07240 0.60740 1.000 0.1020 c RU . .
H20A H Uiso 0.29500 0.03470 0.38700 1.000 0.0820 c RU . .
H20B H Uiso 0.34450 0.03810 0.47920 1.000 0.0820 c RU . .
H20C H Uiso 0.30090 0.07210 0.43040 1.000 0.0820 c RU . .
H6AB H Uiso 0.73470 -0.14890 1.11050 1.000 0.1000 c RU . .
H6AC H Uiso 0.65270 -0.16030 1.13940 1.000 0.1000 c RU . .
H7AB H Uiso 0.58570 -0.10620 0.96070 1.000 0.0940 c RU . .
H7AC H Uiso 0.55160 -0.11850 0.87010 1.000 0.0940 c RU . .
H8AB H Uiso 0.53240 -0.16290 0.78420 1.000 0.0930 c RU . .
H8AC H Uiso 0.51220 -0.20420 0.78340 1.000 0.0930 c RU . .
H6A H Uiso 0.64920 -0.12550 1.08660 1.000 0.1000 c RU . .
H9AB H Uiso 0.58950 -0.27170 0.94410 1.000 0.0920 c RU . .
H7A H Uiso 0.65210 -0.11240 0.90870 1.000 0.0940 c RU . .
H9AC H Uiso 0.65500 -0.26220 0.89300 1.000 0.0920 c RU . .
H8A H Uiso 0.60470 -0.19090 0.77920 1.000 0.0930 c RU . .
H9A H Uiso 0.55400 -0.25720 0.85540 1.000 0.0920 c RU . .
H10A H Uiso 0.63940 -0.25390 1.08330 1.000 0.0930 c RU . .
H10B H Uiso 0.67210 -0.21950 1.13600 1.000 0.0930 c RU . .
H10C H Uiso 0.73410 -0.23910 1.09200 1.000 0.0930 c RU . .
H16P H Uiso -0.12700 -0.28540 1.12500 1.000 0.0950 c RU . .
H16Q H Uiso -0.07920 -0.25820 1.19260 1.000 0.0950 c RU . .
H16R H Uiso -0.02710 -0.27720 1.13830 1.000 0.0950 c RU . .
H17A H Uiso -0.21540 -0.28500 0.95730 1.000 0.0800 c RU . .
H17B H Uiso -0.11580 -0.29520 0.98650 1.000 0.0800 c RU . .
H17C H Uiso -0.15330 -0.27620 0.90250 1.000 0.0800 c RU . .
H18A H Uiso -0.16050 -0.21040 0.84480 1.000 0.0810 c RU . .
H18B H Uiso -0.20600 -0.17600 0.86770 1.000 0.0810 c RU . .
H18C H Uiso -0.25320 -0.21340 0.86040 1.000 0.0810 c RU . .
H19A H Uiso -0.11010 -0.13520 0.98010 1.000 0.0930 c RU . .
H19B H Uiso -0.11810 -0.13380 1.06930 1.000 0.0930 c RU . .
H19C H Uiso -0.20240 -0.13790 0.99680 1.000 0.0930 c RU . .
H20D H Uiso -0.06240 -0.16060 1.17580 1.000 0.1060 c RU . .
H20E H Uiso -0.01950 -0.19760 1.20830 1.000 0.1060 c RU . .
H20F H Uiso -0.11760 -0.19010 1.20530 1.000 0.1060 c RU . .
H56A H Uiso 1.03260 -0.34040 0.30230 1.000 0.1150 c RU . .
H56B H Uiso 1.05440 -0.37360 0.36090 1.000 0.1150 c RU . .
H56C H Uiso 1.12620 -0.35780 0.32310 1.000 0.1150 c RU . .
H57A H Uiso 1.08920 -0.38920 0.50460 1.000 0.1200 c RU . .
H57B H Uiso 1.16180 -0.37770 0.58250 1.000 0.1200 c RU . .
H57C H Uiso 1.18800 -0.38920 0.50410 1.000 0.1200 c RU . .
H58A H Uiso 1.25670 -0.31680 0.64480 1.000 0.0710 c RU . .
H58B H Uiso 1.16380 -0.32510 0.65650 1.000 0.0710 c RU . .
H58C H Uiso 1.19380 -0.28510 0.65180 1.000 0.0710 c RU . .
H59A H Uiso 1.12090 -0.22610 0.49150 1.000 0.0730 c RU . .
H59B H Uiso 1.22130 -0.23500 0.51680 1.000 0.0730 c RU . .
H59C H Uiso 1.16580 -0.24010 0.57920 1.000 0.0730 c RU . .
H60A H Uiso 1.04360 -0.27880 0.30100 1.000 0.0980 c RU . .
H60B H Uiso 1.13990 -0.26430 0.32280 1.000 0.0980 c RU . .
H60C H Uiso 1.06920 -0.24470 0.35610 1.000 0.0980 c RU . .
H66A H Uiso 0.31730 -0.31760 0.36130 1.000 0.1170 c RU . .
H66B H Uiso 0.26610 -0.33980 0.41170 1.000 0.1170 c RU . .
H66C H Uiso 0.36050 -0.35170 0.41000 1.000 0.1170 c RU . .
H67A H Uiso 0.35490 -0.25760 0.37130 1.000 0.1090 c RU . .
H67B H Uiso 0.35340 -0.22410 0.42650 1.000 0.1090 c RU . .
H67C H Uiso 0.27050 -0.24880 0.39870 1.000 0.1090 c RU . .
H68A H Uiso 0.40320 -0.20880 0.54910 1.000 0.0920 c RU . .
H68B H Uiso 0.46600 -0.22120 0.63210 1.000 0.0920 c RU . .
H68C H Uiso 0.36460 -0.21940 0.62110 1.000 0.0920 c RU . .
H69A H Uiso 0.49610 -0.31050 0.71610 1.000 0.0930 c RU . .
H69B H Uiso 0.40200 -0.30090 0.72290 1.000 0.0930 c RU . .
H69C H Uiso 0.46840 -0.27010 0.71920 1.000 0.0930 c RU . .
H70A H Uiso 0.34550 -0.36460 0.60780 1.000 0.1110 c RU . .
H70B H Uiso 0.44810 -0.36390 0.62950 1.000 0.1110 c RU . .
H70C H Uiso 0.39360 -0.37510 0.54220 1.000 0.1110 c RU . .
H10G H Uiso 1.04200 -0.42940 0.79410 1.000 0.0610 c RU . .
H10H H Uiso 0.96820 -0.40930 0.82200 1.000 0.0610 c RU . .
H10I H Uiso 0.94950 -0.44720 0.78060 1.000 0.0610 c RU . .
H10J H Uiso 1.12340 -0.38580 0.98800 1.000 0.0590 c RU . .
H10K H Uiso 1.06010 -0.38880 1.04400 1.000 0.0590 c RU . .
H10L H Uiso 1.02250 -0.37970 0.95180 1.000 0.0590 c RU . .
H10M H Uiso 1.17850 -0.44910 1.12790 1.000 0.0550 c RU . .
H10N H Uiso 1.10560 -0.47260 1.14920 1.000 0.0550 c RU . .
H10O H Uiso 1.09100 -0.43120 1.13410 1.000 0.0550 c RU . .
H10P H Uiso 1.02850 -0.54270 1.01220 1.000 0.0590 c RU . .
H10Q H Uiso 1.08470 -0.52370 1.09080 1.000 0.0590 c RU . .
H10R H Uiso 1.12930 -0.53700 1.02470 1.000 0.0590 c RU . .
H11M H Uiso 0.94880 -0.50620 0.80740 1.000 0.0600 c RU . .
H11N H Uiso 0.98360 -0.53580 0.87360 1.000 0.0600 c RU . .
H11O H Uiso 1.04590 -0.51970 0.82530 1.000 0.0600 c RU . .
H11A H Uiso 0.30920 -0.35590 1.00380 1.000 0.0960 c RU . .
H11B H Uiso 0.37570 -0.36250 1.08870 1.000 0.0960 c RU . .
H11C H Uiso 0.27490 -0.36100 1.08080 1.000 0.0960 c RU . .
H11D H Uiso 0.22830 -0.42360 0.84400 1.000 0.0990 c RU . .
H11E H Uiso 0.28950 -0.39060 0.87610 1.000 0.0990 c RU . .
H11F H Uiso 0.19500 -0.39190 0.88810 1.000 0.0990 c RU . .
H11G H Uiso 0.18400 -0.48930 0.90430 1.000 0.0920 c RU . .
H11H H Uiso 0.26940 -0.51200 0.93830 1.000 0.0920 c RU . .
H11I H Uiso 0.26460 -0.48390 0.86890 1.000 0.0920 c RU . .
H11J H Uiso 0.32400 -0.52020 1.06640 1.000 0.0960 c RU . .
H11K H Uiso 0.27310 -0.50430 1.12550 1.000 0.0960 c RU . .
H11L H Uiso 0.37540 -0.50110 1.14670 1.000 0.0960 c RU . .
H12M H Uiso 0.38720 -0.40300 1.19400 1.000 0.0860 c RU . .
H12N H Uiso 0.41180 -0.44380 1.20760 1.000 0.0860 c RU . .
H12O H Uiso 0.31870 -0.43040 1.21000 1.000 0.0860 c RU . .
H15D H Uiso 0.51300 -0.04280 0.25650 1.000 0.0680 c RU . .
H15E H Uiso 0.42080 -0.02980 0.26230 1.000 0.0680 c RU . .
H15F H Uiso 0.44270 -0.07100 0.26570 1.000 0.0680 c RU . .
H15G H Uiso 0.56070 0.02860 0.37010 1.000 0.0910 c RU . .
H15H H Uiso 0.49490 0.03780 0.42120 1.000 0.0910 c RU . .
H15I H Uiso 0.46020 0.02140 0.33400 1.000 0.0910 c RU . .
H15J H Uiso 0.64730 0.00380 0.57450 1.000 0.1140 c RU . .
H15K H Uiso 0.57900 -0.01150 0.61710 1.000 0.1140 c RU . .
H15L H Uiso 0.55350 0.02080 0.55640 1.000 0.1140 c RU . .
H15M H Uiso 0.56420 -0.11080 0.56110 1.000 0.1020 c RU . .
H15N H Uiso 0.57640 -0.07670 0.61700 1.000 0.1020 c RU . .
H15O H Uiso 0.65220 -0.08910 0.58040 1.000 0.1020 c RU . .
H16A H Uiso 0.46770 -0.11570 0.34480 1.000 0.0900 c RU . .
H16B H Uiso 0.49840 -0.12800 0.43560 1.000 0.0900 c RU . .
H16C H Uiso 0.56750 -0.12190 0.38650 1.000 0.0900 c RU . .
H16D H Uiso -0.28330 -0.13640 0.45030 1.000 0.0720 c RU . .
H16E H Uiso -0.18660 -0.14410 0.50030 1.000 0.0720 c RU . .
H16F H Uiso -0.20610 -0.13030 0.41060 1.000 0.0720 c RU . .
H16G H Uiso -0.18810 0.00400 0.63260 1.000 0.0900 c RU . .
H16H H Uiso -0.10610 -0.02040 0.66890 1.000 0.0900 c RU . .
H16I H Uiso -0.19660 -0.03000 0.68420 1.000 0.0900 c RU . .
H16J H Uiso -0.21450 0.01180 0.42310 1.000 0.0530 c RU . .
H16K H Uiso -0.21800 0.02290 0.51050 1.000 0.0530 c RU . .
H16L H Uiso -0.30370 0.01060 0.44620 1.000 0.0530 c RU . .
H16M H Uiso -0.25200 -0.04250 0.32780 1.000 0.0540 c RU . .
H16N H Uiso -0.34080 -0.05400 0.34420 1.000 0.0540 c RU . .
H16O H Uiso -0.27500 -0.08340 0.33120 1.000 0.0540 c RU . .
H17D H Uiso -0.21030 -0.11470 0.65090 1.000 0.0880 c RU . .
H17E H Uiso -0.12800 -0.09060 0.68720 1.000 0.0880 c RU . .
H17F H Uiso -0.12120 -0.12340 0.63160 1.000 0.0880 c RU . .


#===============================================================================

# 10. MOLECULAR GEOMETRY

_geom_special_details            
;
 Bond distances, angles etc. have been calculated using the
 rounded fractional coordinates. All su's are estimated
 from the variances of the (full) variance-covariance matrix.
 The cell esds are taken into account in the estimation of
 distances, angles and torsion angles
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn10 Cu7 2.4331(17) . . yes
Zn10 Cu8 2.4370(18) . . yes
Zn10 Cu9 2.4609(17) . . yes
Zn11 Cu7 2.4405(17) . . yes
Zn11 Cu8 2.4509(18) . . yes
Zn11 Cu9 2.4333(17) . . yes
Cu7 C121 2.182(12) . . yes
Cu7 C122 2.177(14) . . yes
Cu7 C123 2.173(15) . . yes
Cu7 C124 2.176(16) . . yes
Cu7 C125 2.153(14) . . yes
Cu7 C21B 2.21(4) . . yes
Cu7 C22B 2.27(4) . . yes
Cu7 C23B 2.25(4) . . yes
Cu7 C24B 2.14(4) . . yes
Cu7 C25B 2.17(4) . . yes
Cu8 C131 2.190(12) . . yes
Cu8 C132 2.189(12) . . yes
Cu8 C133 2.189(12) . . yes
Cu8 C134 2.194(12) . . yes
Cu8 C135 2.185(12) . . yes
Cu9 C141 2.209(11) . . yes
Cu9 C142 2.210(11) . . yes
Cu9 C143 2.193(10) . . yes
Cu9 C144 2.190(10) . . yes
Cu9 C145 2.176(10) . . yes
Zn2 Cu2 2.436(2) . . yes
Zn2 Cu3 2.4429(19) . . yes
Zn2 Cu1 2.453(2) . . yes
Zn3 Cu1 2.432(2) . . yes
Zn3 Cu3 2.4352(19) . . yes
Zn3 Cu2 2.458(2) . . yes
Cu1 C21 2.220(12) . . yes
Cu1 C24 2.162(11) . . yes
Cu1 C25 2.197(12) . . yes
Cu1 C22 2.188(12) . . yes
Cu1 C23 2.184(9) . . yes
Cu2 C31 2.187(10) . . yes
Cu2 C34 2.212(11) . . yes
Cu2 C32 2.183(12) . . yes
Cu2 C33 2.185(12) . . yes
Cu2 C35 2.190(11) . . yes
Cu3 C42 2.195(11) . . yes
Cu3 C43 2.186(11) . . yes
Cu3 C41 2.199(11) . . yes
Cu3 C45 2.170(10) . . yes
Cu3 C44 2.184(10) . . yes
Zn6 Cu4 2.4318(18) . . yes
Zn6 Cu6 2.4459(18) . . yes
Zn6 Cu5 2.4524(17) . . yes
Zn7 Cu6 2.4374(18) . . yes
Zn7 Cu4 2.4470(18) . . yes
Zn7 Cu5 2.4351(17) . . yes
Cu4 C73 2.193(11) . . yes
Cu4 C71 2.197(11) . . yes
Cu4 C72 2.200(11) . . yes
Cu4 C74 2.174(10) . . yes
Cu4 C75 2.195(10) . . yes
Cu5 C81 2.201(14) . . yes
Cu5 C82 2.209(12) . . yes
Cu5 C83 2.168(13) . . yes
Cu5 C85 2.172(13) . . yes
Cu5 C84 2.168(12) . . yes
Cu6 C92 2.172(12) . . yes
Cu6 C95 2.168(12) . . yes
Cu6 C91 2.194(12) . . yes
Cu6 C93 2.197(12) . . yes
Cu6 C94 2.190(12) . . yes
Zn14 Cu12 2.4364(19) . . yes
Zn14 Cu11 2.454(2) . . yes
Zn14 Cu10 2.436(2) . . yes
Zn15 Cu11 2.4302(19) . . yes
Zn15 Cu12 2.4556(19) . . yes
Zn15 Cu10 2.439(2) . . yes
Cu10 C171 2.189(14) . . yes
Cu10 C173 2.168(11) . . yes
Cu10 C174 2.194(10) . . yes
Cu10 C172 2.188(14) . . yes
Cu10 C175 2.175(13) . . yes
Cu11 C183 2.195(10) . . yes
Cu11 C182 2.186(10) . . yes
Cu11 C181 2.201(11) . . yes
Cu11 C184 2.188(12) . . yes
Cu11 C185 2.229(12) . . yes
Cu12 C193 2.196(12) . . yes
Cu12 C194 2.203(12) . . yes
Cu12 C195 2.208(12) . . yes
Cu12 C191 2.225(12) . . yes
Cu12 C192 2.191(12) . . yes
Zn1 C5 2.238(14) . . yes
Zn1 C2 2.257(13) . . yes
Zn1 C3 2.253(14) . . yes
Zn1 C1 2.222(13) . . yes
Zn1 C4 2.240(15) . . yes
Zn4 C11 2.262(13) . . yes
Zn4 C13 2.273(11) . . yes
Zn4 C14 2.279(12) . . yes
Zn4 C15 2.276(12) . . yes
Zn4 C12 2.242(11) . . yes
Zn5 C54 2.251(12) . . yes
Zn5 C51 2.267(11) . . yes
Zn5 C53 2.234(10) . . yes
Zn5 C52 2.250(11) . . yes
Zn5 C55 2.248(12) . . yes
Zn8 C61 2.250(11) . . yes
Zn8 C64 2.287(12) . . yes
Zn8 C63 2.255(14) . . yes
Zn8 C65 2.282(13) . . yes
Zn8 C62 2.256(12) . . yes
Zn9 C101 2.264(12) . . yes
Zn9 C103 2.255(12) . . yes
Zn9 C105 2.283(13) . . yes
Zn9 C104 2.265(12) . . yes
Zn9 C102 2.243(11) . . yes
Zn12 C113 2.258(11) . . yes
Zn12 C114 2.260(11) . . yes
Zn12 C112 2.238(12) . . yes
Zn12 C111 2.264(12) . . yes
Zn12 C115 2.273(12) . . yes
Zn13 C154 2.252(11) . . yes
Zn13 C155 2.276(12) . . yes
Zn13 C152 2.204(12) . . yes
Zn13 C151 2.225(12) . . yes
Zn13 C153 2.223(14) . . yes
Zn16 C163 2.275(11) . . yes
Zn16 C165 2.233(12) . . yes
Zn16 C162 2.243(10) . . yes
Zn16 C164 2.267(12) . . yes
Zn16 C161 2.245(11) . . yes
C21B C26B 1.56(6) . . no
C21B C22B 1.27(6) . . no
C21B C25B 1.46(7) . . no
C22B C23B 1.42(6) . . no
C22B C27B 1.56(6) . . no
C23B C28B 1.48(5) . . no
C23B C24B 1.52(7) . . no
C24B C25B 1.39(6) . . no
C24B C29B 1.51(6) . . no
C25B C30B 1.49(5) . . no
C121 C125 1.45(2) . . no
C121 C126 1.492(19) . . no
C121 C122 1.42(2) . . no
C122 C127 1.51(2) . . no
C122 C123 1.39(2) . . no
C123 C128 1.52(2) . . no
C123 C124 1.41(3) . . no
C124 C125 1.46(2) . . no
C124 C129 1.53(2) . . no
C125 C130 1.47(2) . . no
C131 C135 1.323(19) . . no
C131 C132 1.415(19) . . no
C131 C136 1.551(18) . . no
C132 C133 1.400(17) . . no
C132 C137 1.52(2) . . no
C133 C138 1.494(19) . . no
C133 C134 1.452(19) . . no
C134 C139 1.52(2) . . no
C134 C135 1.378(19) . . no
C135 C140 1.50(2) . . no
C141 C145 1.440(16) . . no
C141 C146 1.499(17) . . no
C141 C142 1.430(16) . . no
C142 C147 1.497(16) . . no
C142 C143 1.421(16) . . no
C143 C144 1.394(16) . . no
C143 C148 1.524(17) . . no
C144 C149 1.513(16) . . no
C144 C145 1.407(16) . . no
C145 C150 1.509(16) . . no
C26B H26C 0.9800 . . no
C26B H26A 0.9800 . . no
C26B H26B 0.9700 . . no
C27B H27C 0.9800 . . no
C27B H27B 0.9800 . . no
C27B H27A 0.9800 . . no
C28B H28B 0.9800 . . no
C28B H28A 0.9800 . . no
C28B H28C 0.9800 . . no
C29B H29E 0.9800 . . no
C29B H29F 0.9800 . . no
C29B H29D 0.9800 . . no
C30B H30B 0.9800 . . no
C30B H30A 0.9800 . . no
C30B H30C 0.9800 . . no
C126 H12C 0.9800 . . no
C126 H12A 0.9800 . . no
C126 H12B 0.9800 . . no
C127 H12E 0.9800 . . no
C127 H12D 0.9800 . . no
C127 H12F 0.9800 . . no
C128 H12G 0.9800 . . no
C128 H12I 0.9800 . . no
C128 H12H 0.9800 . . no
C129 H12K 0.9800 . . no
C129 H12L 0.9800 . . no
C129 H12J 0.9800 . . no
C130 H13O 0.9800 . . no
C130 H13N 0.9800 . . no
C130 H13M 0.9800 . . no
C136 H13K 0.9800 . . no
C136 H13L 0.9800 . . no
C136 H13J 0.9800 . . no
C137 H13H 0.9800 . . no
C137 H13I 0.9800 . . no
C137 H13G 0.9800 . . no
C138 H13D 0.9800 . . no
C138 H13F 0.9800 . . no
C138 H13E 0.9800 . . no
C139 H13A 0.9800 . . no
C139 H13B 0.9800 . . no
C139 H13C 0.9800 . . no
C140 H14N 0.9800 . . no
C140 H14M 0.9800 . . no
C140 H14O 0.9800 . . no
C146 H14J 0.9800 . . no
C146 H14L 0.9800 . . no
C146 H14K 0.9800 . . no
C147 H14H 0.9800 . . no
C147 H14G 0.9800 . . no
C147 H14I 0.9800 . . no
C148 H14D 0.9800 . . no
C148 H14E 0.9800 . . no
C148 H14F 0.9800 . . no
C149 H14A 0.9800 . . no
C149 H14C 0.9800 . . no
C149 H14B 0.9800 . . no
C150 H15B 0.9800 . . no
C150 H15C 0.9800 . . no
C150 H15A 0.9800 . . no
C21 C25 1.420(18) . . no
C21 C26 1.494(19) . . no
C21 C22 1.457(17) . . no
C22 C23 1.392(15) . . no
C22 C27 1.521(17) . . no
C23 C24 1.380(14) . . no
C23 C28 1.516(16) . . no
C24 C29 1.508(18) . . no
C24 C25 1.446(15) . . no
C25 C30 1.51(2) . . no
C31 C35 1.433(16) . . no
C31 C32 1.423(18) . . no
C31 C36 1.524(16) . . no
C32 C33 1.422(16) . . no
C32 C37 1.468(18) . . no
C33 C34 1.425(18) . . no
C33 C38 1.509(18) . . no
C34 C39 1.497(16) . . no
C34 C35 1.411(17) . . no
C35 C40 1.499(18) . . no
C41 C42 1.502(18) . . no
C41 C46 1.504(17) . . no
C41 C45 1.473(16) . . no
C42 C47 1.47(2) . . no
C42 C43 1.415(16) . . no
C43 C44 1.325(16) . . no
C43 C48 1.544(18) . . no
C44 C49 1.556(16) . . no
C44 C45 1.352(16) . . no
C45 C50 1.495(17) . . no
C26 H26E 0.9800 . . no
C26 H26D 0.9800 . . no
C26 H26F 0.9800 . . no
C27 H27F 0.9800 . . no
C27 H27D 0.9800 . . no
C27 H27E 0.9800 . . no
C28 H28F 0.9800 . . no
C28 H28D 0.9800 . . no
C28 H28E 0.9800 . . no
C29 H29A 0.9800 . . no
C29 H29B 0.9800 . . no
C29 H29C 0.9800 . . no
C30 H30F 0.9800 . . no
C30 H30D 0.9800 . . no
C30 H30E 0.9800 . . no
C36 H36B 0.9800 . . no
C36 H36C 0.9800 . . no
C36 H36A 0.9800 . . no
C37 H37B 0.9800 . . no
C37 H37C 0.9800 . . no
C37 H37A 0.9800 . . no
C38 H38C 0.9800 . . no
C38 H38A 0.9800 . . no
C38 H38B 0.9800 . . no
C39 H39C 0.9800 . . no
C39 H39B 0.9800 . . no
C39 H39A 0.9800 . . no
C40 H40A 0.9800 . . no
C40 H40B 0.9800 . . no
C40 H40C 0.9800 . . no
C46 H46B 0.9800 . . no
C46 H46C 0.9800 . . no
C46 H46A 0.9800 . . no
C47 H47B 0.9800 . . no
C47 H47A 0.9800 . . no
C47 H47C 0.9800 . . no
C48 H48A 0.9800 . . no
C48 H48C 0.9800 . . no
C48 H48B 0.9800 . . no
C49 H49B 0.9800 . . no
C49 H49A 0.9800 . . no
C49 H49C 0.9800 . . no
C50 H50C 0.9800 . . no
C50 H50A 0.9800 . . no
C50 H50B 0.9800 . . no
C71 C75 1.446(14) . . no
C71 C76 1.460(17) . . no
C71 C72 1.420(16) . . no
C72 C77 1.508(16) . . no
C72 C73 1.403(16) . . no
C73 C74 1.431(16) . . no
C73 C78 1.512(16) . . no
C74 C75 1.427(15) . . no
C74 C79 1.478(19) . . no
C75 C80 1.502(15) . . no
C81 C86 1.48(2) . . no
C81 C85 1.41(2) . . no
C81 C82 1.35(2) . . no
C82 C83 1.331(19) . . no
C82 C87 1.541(19) . . no
C83 C88 1.49(2) . . no
C83 C84 1.468(19) . . no
C84 C85 1.41(2) . . no
C84 C89 1.46(2) . . no
C85 C90 1.51(2) . . no
C91 C92 1.468(19) . . no
C91 C95 1.390(18) . . no
C91 C96 1.483(19) . . no
C92 C97 1.510(18) . . no
C92 C93 1.408(18) . . no
C93 C98 1.512(18) . . no
C93 C94 1.379(17) . . no
C94 C95 1.417(17) . . no
C94 C99 1.502(18) . . no
C95 C100 1.522(18) . . no
C76 H76B 0.9800 . . no
C76 H76A 0.9800 . . no
C76 H76C 0.9800 . . no
C77 H77B 0.9800 . . no
C77 H77A 0.9800 . . no
C77 H77C 0.9800 . . no
C78 H78A 0.9800 . . no
C78 H78B 0.9800 . . no
C78 H78C 0.9800 . . no
C79 H79C 0.9800 . . no
C79 H79B 0.9800 . . no
C79 H79A 0.9800 . . no
C80 H80B 0.9800 . . no
C80 H80C 0.9800 . . no
C80 H80A 0.9800 . . no
C86 H86A 0.9800 . . no
C86 H86B 0.9800 . . no
C86 H86C 0.9800 . . no
C87 H87B 0.9800 . . no
C87 H87A 0.9800 . . no
C87 H87C 0.9800 . . no
C88 H88C 0.9800 . . no
C88 H88B 0.9800 . . no
C88 H88A 0.9800 . . no
C89 H89A 0.9800 . . no
C89 H89C 0.9800 . . no
C89 H89B 0.9800 . . no
C90 H90B 0.9800 . . no
C90 H90C 0.9800 . . no
C90 H90A 0.9800 . . no
C96 H96A 0.9800 . . no
C96 H96B 0.9800 . . no
C96 H96C 0.9800 . . no
C97 H97A 0.9800 . . no
C97 H97B 0.9800 . . no
C97 H97C 0.9800 . . no
C98 H98A 0.9800 . . no
C98 H98C 0.9800 . . no
C98 H98B 0.9800 . . no
C99 H99C 0.9800 . . no
C99 H99A 0.9800 . . no
C99 H99B 0.9800 . . no
C100 H10E 0.9800 . . no
C100 H10F 0.9800 . . no
C100 H10D 0.9800 . . no
C171 C175 1.39(2) . . no
C171 C176 1.51(2) . . no
C171 C172 1.442(19) . . no
C172 C173 1.45(2) . . no
C172 C177 1.48(2) . . no
C173 C178 1.501(19) . . no
C173 C174 1.412(18) . . no
C174 C179 1.513(18) . . no
C174 C175 1.352(18) . . no
C175 C180 1.514(19) . . no
C181 C182 1.451(16) . . no
C181 C186 1.482(18) . . no
C181 C185 1.435(17) . . no
C182 C183 1.416(16) . . no
C182 C187 1.532(18) . . no
C183 C188 1.504(18) . . no
C183 C184 1.408(16) . . no
C184 C185 1.448(17) . . no
C184 C189 1.522(18) . . no
C185 C190 1.485(19) . . no
C191 C192 1.438(19) . . no
C191 C195 1.384(19) . . no
C191 C196 1.52(2) . . no
C192 C193 1.421(19) . . no
C192 C197 1.50(2) . . no
C193 C198 1.473(19) . . no
C193 C194 1.444(17) . . no
C194 C195 1.428(17) . . no
C194 C199 1.512(17) . . no
C195 C200 1.495(18) . . no
C176 H17I 0.9800 . . no
C176 H17H 0.9800 . . no
C176 H17G 0.9800 . . no
C177 H17K 0.9800 . . no
C177 H17L 0.9800 . . no
C177 H17J 0.9800 . . no
C178 H17N 0.9800 . . no
C178 H17M 0.9800 . . no
C178 H17O 0.9800 . . no
C179 H17R 0.9800 . . no
C179 H17P 0.9800 . . no
C179 H17Q 0.9800 . . no
C180 H18J 0.9800 . . no
C180 H18L 0.9800 . . no
C180 H18K 0.9800 . . no
C186 H18G 0.9800 . . no
C186 H18H 0.9800 . . no
C186 H18I 0.9800 . . no
C187 H18F 0.9800 . . no
C187 H18E 0.9800 . . no
C187 H18D 0.9800 . . no
C188 H18R 0.9800 . . no
C188 H18Q 0.9800 . . no
C188 H18P 0.9800 . . no
C189 H18O 0.9800 . . no
C189 H18N 0.9800 . . no
C189 H18M 0.9800 . . no
C190 H19F 0.9800 . . no
C190 H19E 0.9800 . . no
C190 H19D 0.9800 . . no
C196 H19P 0.9800 . . no
C196 H19R 0.9800 . . no
C196 H19Q 0.9800 . . no
C197 H19O 0.9800 . . no
C197 H19N 0.9800 . . no
C197 H19M 0.9800 . . no
C198 H19K 0.9800 . . no
C198 H19L 0.9800 . . no
C198 H19J 0.9800 . . no
C199 H19I 0.9800 . . no
C199 H19H 0.9800 . . no
C199 H19G 0.9800 . . no
C200 H20A 0.9800 . . no
C200 H20B 0.9800 . . no
C200 H20C 0.9800 . . no
C1 C6 1.53(2) . . no
C1 C5 1.43(2) . . no
C1 C2 1.37(2) . . no
C2 C7 1.507(17) . . no
C2 C3 1.384(19) . . no
C3 C8 1.541(19) . . no
C3 C4 1.38(2) . . no
C4 C9 1.535(19) . . no
C4 C5 1.374(19) . . no
C5 C10 1.53(2) . . no
C6 H6AB 0.9800 . . no
C6 H6AC 0.9800 . . no
C6 H6A 0.9800 . . no
C7 H7AC 0.9800 . . no
C7 H7A 0.9800 . . no
C7 H7AB 0.9800 . . no
C8 H8AB 0.9800 . . no
C8 H8A 0.9800 . . no
C8 H8AC 0.9800 . . no
C9 H9AB 0.9800 . . no
C9 H9A 0.9800 . . no
C9 H9AC 0.9800 . . no
C10 H10C 0.9800 . . no
C10 H10B 0.9800 . . no
C10 H10A 0.9800 . . no
C11 C15 1.40(2) . . no
C11 C16 1.53(2) . . no
C11 C12 1.407(16) . . no
C12 C17 1.517(16) . . no
C12 C13 1.417(16) . . no
C13 C18 1.492(17) . . no
C13 C14 1.399(17) . . no
C14 C19 1.475(16) . . no
C14 C15 1.435(18) . . no
C15 C20 1.49(2) . . no
C16 H16R 0.9800 . . no
C16 H16Q 0.9800 . . no
C16 H16P 0.9800 . . no
C17 H17A 0.9800 . . no
C17 H17C 0.9800 . . no
C17 H17B 0.9800 . . no
C18 H18A 0.9800 . . no
C18 H18C 0.9800 . . no
C18 H18B 0.9800 . . no
C19 H19A 0.9800 . . no
C19 H19C 0.9800 . . no
C19 H19B 0.9800 . . no
C20 H20E 0.9800 . . no
C20 H20F 0.9800 . . no
C20 H20D 0.9800 . . no
C51 C52 1.462(17) . . no
C51 C56 1.50(2) . . no
C51 C55 1.399(16) . . no
C52 C57 1.511(17) . . no
C52 C53 1.381(16) . . no
C53 C54 1.380(16) . . no
C53 C58 1.527(16) . . no
C54 C59 1.526(16) . . no
C54 C55 1.419(17) . . no
C55 C60 1.505(18) . . no
C56 H56B 0.9800 . . no
C56 H56C 0.9800 . . no
C56 H56A 0.9800 . . no
C57 H57A 0.9800 . . no
C57 H57B 0.9800 . . no
C57 H57C 0.9800 . . no
C58 H58B 0.9800 . . no
C58 H58A 0.9800 . . no
C58 H58C 0.9800 . . no
C59 H59C 0.9800 . . no
C59 H59B 0.9800 . . no
C59 H59A 0.9800 . . no
C60 H60C 0.9800 . . no
C60 H60B 0.9800 . . no
C60 H60A 0.9800 . . no
C61 C65 1.433(19) . . no
C61 C62 1.45(2) . . no
C61 C66 1.51(2) . . no
C62 C67 1.49(2) . . no
C62 C63 1.390(18) . . no
C63 C64 1.40(2) . . no
C63 C68 1.50(2) . . no
C64 C69 1.505(17) . . no
C64 C65 1.36(2) . . no
C65 C70 1.52(2) . . no
C66 H66B 0.9800 . . no
C66 H66C 0.9800 . . no
C66 H66A 0.9800 . . no
C67 H67A 0.9800 . . no
C67 H67C 0.9800 . . no
C67 H67B 0.9800 . . no
C68 H68C 0.9800 . . no
C68 H68A 0.9800 . . no
C68 H68B 0.9800 . . no
C69 H69A 0.9800 . . no
C69 H69B 0.9800 . . no
C69 H69C 0.9800 . . no
C70 H70B 0.9800 . . no
C70 H70A 0.9800 . . no
C70 H70C 0.9800 . . no
C101 C106 1.493(16) . . no
C101 C105 1.412(17) . . no
C101 C102 1.387(16) . . no
C102 C103 1.435(16) . . no
C102 C107 1.521(16) . . no
C103 C108 1.513(16) . . no
C103 C104 1.444(17) . . no
C104 C109 1.505(17) . . no
C104 C105 1.401(19) . . no
C105 C110 1.495(18) . . no
C106 H10Q 0.9800 . . no
C106 H10R 0.9800 . . no
C106 H10P 0.9800 . . no
C107 H10N 0.9800 . . no
C107 H10M 0.9800 . . no
C107 H10O 0.9800 . . no
C108 H10L 0.9800 . . no
C108 H10K 0.9800 . . no
C108 H10J 0.9800 . . no
C109 H10I 0.9800 . . no
C109 H10G 0.9800 . . no
C109 H10H 0.9800 . . no
C110 H11M 0.9800 . . no
C110 H11N 0.9800 . . no
C110 H11O 0.9800 . . no
C111 C115 1.429(16) . . no
C111 C112 1.428(19) . . no
C111 C116 1.47(2) . . no
C112 C113 1.416(16) . . no
C112 C117 1.50(2) . . no
C113 C114 1.437(18) . . no
C113 C118 1.489(18) . . no
C114 C119 1.515(16) . . no
C114 C115 1.384(17) . . no
C115 C120 1.479(18) . . no
C116 H11L 0.9800 . . no
C116 H11J 0.9800 . . no
C116 H11K 0.9800 . . no
C117 H11H 0.9800 . . no
C117 H11G 0.9800 . . no
C117 H11I 0.9800 . . no
C118 H11D 0.9800 . . no
C118 H11E 0.9800 . . no
C118 H11F 0.9800 . . no
C119 H11A 0.9800 . . no
C119 H11B 0.9800 . . no
C119 H11C 0.9800 . . no
C120 H12N 0.9800 . . no
C120 H12O 0.9800 . . no
C120 H12M 0.9800 . . no
C151 C155 1.381(17) . . no
C151 C156 1.516(19) . . no
C151 C152 1.44(2) . . no
C152 C157 1.49(2) . . no
C152 C153 1.508(17) . . no
C153 C154 1.404(18) . . no
C153 C158 1.47(2) . . no
C154 C159 1.531(14) . . no
C154 C155 1.422(16) . . no
C155 C160 1.515(16) . . no
C156 H15M 0.9800 . . no
C156 H15N 0.9800 . . no
C156 H15O 0.9800 . . no
C157 H15L 0.9800 . . no
C157 H15K 0.9800 . . no
C157 H15J 0.9800 . . no
C158 H15H 0.9800 . . no
C158 H15G 0.9800 . . no
C158 H15I 0.9800 . . no
C159 H15D 0.9800 . . no
C159 H15E 0.9800 . . no
C159 H15F 0.9800 . . no
C160 H16B 0.9800 . . no
C160 H16C 0.9800 . . no
C160 H16A 0.9800 . . no
C161 C162 1.434(14) . . no
C161 C165 1.388(16) . . no
C161 C166 1.517(14) . . no
C162 C163 1.444(14) . . no
C162 C167 1.486(14) . . no
C163 C164 1.412(16) . . no
C163 C168 1.494(11) . . no
C164 C165 1.463(16) . . no
C164 C169 1.506(18) . . no
C165 C170 1.517(17) . . no
C166 H16D 0.9800 . . no
C166 H16E 0.9800 . . no
C166 H16F 0.9800 . . no
C167 H16M 0.9800 . . no
C167 H16N 0.9800 . . no
C167 H16O 0.9800 . . no
C168 H16J 0.9800 . . no
C168 H16K 0.9800 . . no
C168 H16L 0.9800 . . no
C169 H16G 0.9800 . . no
C169 H16H 0.9800 . . no
C169 H16I 0.9800 . . no
C170 H17D 0.9800 . . no
C170 H17E 0.9800 . . no
C170 H17F 0.9800 . . no

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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cu7 Zn10 Cu8 60.09(5) . . . yes
Cu7 Zn10 Cu9 59.45(5) . . . yes
Cu8 Zn10 Cu9 59.73(5) . . . yes
Cu7 Zn11 Cu8 59.81(5) . . . yes
Cu7 Zn11 Cu9 59.72(5) . . . yes
Cu8 Zn11 Cu9 59.92(5) . . . yes
Zn10 Cu7 Zn11 110.12(6) . . . yes
Zn10 Cu7 C121 116.7(4) . . . yes
Zn10 Cu7 C122 154.4(4) . . . yes
Zn10 Cu7 C123 143.2(5) . . . yes
Zn10 Cu7 C124 106.6(5) . . . yes
Zn10 Cu7 C125 92.4(4) . . . yes
Zn10 Cu7 C21B 141.8(12) . . . yes
Zn10 Cu7 C22B 155.3(13) . . . yes
Zn10 Cu7 C23B 120.9(12) . . . yes
Zn10 Cu7 C24B 93.7(12) . . . yes
Zn10 Cu7 C25B 104.4(12) . . . yes
Zn11 Cu7 C121 119.6(5) . . . yes
Zn11 Cu7 C122 91.8(4) . . . yes
Zn11 Cu7 C123 98.5(5) . . . yes
Zn11 Cu7 C124 133.0(5) . . . yes
Zn11 Cu7 C125 156.3(4) . . . yes
Zn11 Cu7 C21B 100.3(13) . . . yes
Zn11 Cu7 C22B 93.0(12) . . . yes
Zn11 Cu7 C23B 115.1(12) . . . yes
Zn11 Cu7 C24B 154.2(13) . . . yes
Zn11 Cu7 C25B 137.0(12) . . . yes
C121 Cu7 C122 37.9(6) . . . yes
C121 Cu7 C123 63.4(5) . . . yes
C121 Cu7 C124 64.4(5) . . . yes
C121 Cu7 C125 39.0(6) . . . yes
C122 Cu7 C123 37.3(6) . . . yes
C122 Cu7 C124 63.3(6) . . . yes
C122 Cu7 C125 64.6(5) . . . yes
C123 Cu7 C124 37.7(7) . . . yes
C123 Cu7 C125 64.7(6) . . . yes
C124 Cu7 C125 39.5(6) . . . yes
C21B Cu7 C22B 32.8(16) . . . yes
C21B Cu7 C23B 60.9(15) . . . yes
C21B Cu7 C24B 63.2(17) . . . yes
C21B Cu7 C25B 38.9(18) . . . yes
C22B Cu7 C23B 36.6(17) . . . yes
C22B Cu7 C24B 62.2(17) . . . yes
C22B Cu7 C25B 60.2(16) . . . yes
C23B Cu7 C24B 40.3(17) . . . yes
C23B Cu7 C25B 63.9(14) . . . yes
C24B Cu7 C25B 37.5(15) . . . yes
Zn10 Cu8 Zn11 109.64(6) . . . yes
Zn10 Cu8 C131 113.5(4) . . . yes
Zn10 Cu8 C132 151.1(3) . . . yes
Zn10 Cu8 C133 143.1(3) . . . yes
Zn10 Cu8 C134 105.3(4) . . . yes
Zn10 Cu8 C135 92.5(3) . . . yes
Zn11 Cu8 C131 124.8(4) . . . yes
Zn11 Cu8 C132 95.4(3) . . . yes
Zn11 Cu8 C133 99.8(3) . . . yes
Zn11 Cu8 C134 135.1(4) . . . yes
Zn11 Cu8 C135 157.0(4) . . . yes
C131 Cu8 C132 37.7(5) . . . yes
C131 Cu8 C133 62.3(5) . . . yes
C131 Cu8 C134 60.6(5) . . . yes
C131 Cu8 C135 35.2(5) . . . yes
C132 Cu8 C133 37.3(4) . . . yes
C132 Cu8 C134 62.4(5) . . . yes
C132 Cu8 C135 61.7(5) . . . yes
C133 Cu8 C134 38.7(5) . . . yes
C133 Cu8 C135 62.9(5) . . . yes
C134 Cu8 C135 36.7(5) . . . yes
Zn10 Cu9 Zn11 109.43(6) . . . yes
Zn10 Cu9 C141 93.8(3) . . . yes
Zn10 Cu9 C142 125.4(3) . . . yes
Zn10 Cu9 C143 155.8(3) . . . yes
Zn10 Cu9 C144 128.0(3) . . . yes
Zn10 Cu9 C145 95.1(3) . . . yes
Zn11 Cu9 C141 150.4(3) . . . yes
Zn11 Cu9 C142 112.7(3) . . . yes
Zn11 Cu9 C143 94.7(3) . . . yes
Zn11 Cu9 C144 111.5(3) . . . yes
Zn11 Cu9 C145 148.8(3) . . . yes
C141 Cu9 C142 37.8(4) . . . yes
C141 Cu9 C143 63.0(4) . . . yes
C141 Cu9 C144 63.2(4) . . . yes
C141 Cu9 C145 38.3(4) . . . yes
C142 Cu9 C143 37.7(4) . . . yes
C142 Cu9 C144 62.7(4) . . . yes
C142 Cu9 C145 63.4(4) . . . yes
C143 Cu9 C144 37.1(4) . . . yes
C143 Cu9 C145 62.8(4) . . . yes
C144 Cu9 C145 37.6(4) . . . yes
Cu2 Zn2 Cu3 59.78(5) . . . yes
Cu1 Zn2 Cu2 60.04(6) . . . yes
Cu1 Zn2 Cu3 59.84(6) . . . yes
Cu1 Zn3 Cu2 60.03(6) . . . yes
Cu1 Zn3 Cu3 60.24(5) . . . yes
Cu2 Zn3 Cu3 59.58(5) . . . yes
C21 Cu1 C23 62.8(4) . . . yes
Zn3 Cu1 C24 153.5(3) . . . yes
Zn3 Cu1 C25 139.2(3) . . . yes
C21 Cu1 C22 38.6(4) . . . yes
C23 Cu1 C25 63.2(4) . . . yes
C24 Cu1 C25 38.7(4) . . . yes
Zn2 Cu1 C22 156.8(3) . . . yes
Zn2 Cu1 C23 121.2(3) . . . yes
Zn2 Cu1 C24 94.3(3) . . . yes
Zn2 Cu1 C25 101.5(3) . . . yes
Zn3 Cu1 C21 103.3(3) . . . yes
Zn3 Cu1 C22 92.2(3) . . . yes
Zn3 Cu1 C23 117.1(3) . . . yes
C21 Cu1 C24 63.3(4) . . . yes
C21 Cu1 C25 37.5(5) . . . yes
C22 Cu1 C23 37.1(4) . . . yes
C22 Cu1 C24 62.9(4) . . . yes
C22 Cu1 C25 63.8(4) . . . yes
C23 Cu1 C24 37.0(4) . . . yes
Zn2 Cu1 Zn3 109.59(7) . . . yes
Zn2 Cu1 C21 136.4(3) . . . yes
Zn2 Cu2 Zn3 109.31(7) . . . yes
Zn2 Cu2 C31 109.1(3) . . . yes
Zn2 Cu2 C32 146.5(3) . . . yes
Zn2 Cu2 C33 152.1(3) . . . yes
Zn2 Cu2 C34 114.3(3) . . . yes
Zn2 Cu2 C35 93.6(3) . . . yes
Zn3 Cu2 C31 129.7(3) . . . yes
C31 Cu2 C34 62.9(4) . . . yes
Zn3 Cu2 C32 96.1(3) . . . yes
Zn3 Cu2 C33 93.8(3) . . . yes
Zn3 Cu2 C34 124.7(3) . . . yes
Zn3 Cu2 C35 156.9(3) . . . yes
C31 Cu2 C32 38.0(5) . . . yes
C31 Cu2 C33 63.3(4) . . . yes
C34 Cu2 C35 37.4(4) . . . yes
C31 Cu2 C35 38.2(4) . . . yes
C32 Cu2 C33 38.0(4) . . . yes
C32 Cu2 C34 63.3(4) . . . yes
C32 Cu2 C35 63.9(4) . . . yes
C33 Cu2 C34 37.8(5) . . . yes
C33 Cu2 C35 63.4(4) . . . yes
Zn2 Cu3 C41 97.6(3) . . . yes
C42 Cu3 C44 61.8(4) . . . yes
Zn2 Cu3 C42 133.2(3) . . . yes
Zn2 Cu3 C43 157.1(3) . . . yes
Zn2 Cu3 C44 125.4(3) . . . yes
Zn2 Cu3 C45 95.7(3) . . . yes
Zn3 Cu3 C41 144.9(3) . . . yes
Zn3 Cu3 C42 105.6(3) . . . yes
Zn3 Cu3 C43 92.6(3) . . . yes
Zn3 Cu3 C44 113.2(3) . . . yes
Zn3 Cu3 C45 149.4(3) . . . yes
C41 Cu3 C42 40.0(5) . . . yes
C41 Cu3 C43 64.0(4) . . . yes
C41 Cu3 C44 62.9(4) . . . yes
C41 Cu3 C45 39.4(4) . . . yes
C42 Cu3 C43 37.7(4) . . . yes
Zn2 Cu3 Zn3 109.82(7) . . . yes
C43 Cu3 C44 35.3(4) . . . yes
C43 Cu3 C45 61.5(4) . . . yes
C42 Cu3 C45 64.7(4) . . . yes
C44 Cu3 C45 36.2(4) . . . yes
Cu5 Zn6 Cu6 59.69(5) . . . yes
Cu4 Zn6 Cu6 60.34(5) . . . yes
Cu4 Zn6 Cu5 59.70(5) . . . yes
Cu5 Zn7 Cu6 60.04(5) . . . yes
Cu4 Zn7 Cu5 59.73(5) . . . yes
Cu4 Zn7 Cu6 60.25(5) . . . yes
Zn7 Cu4 C71 155.8(3) . . . yes
Zn6 Cu4 C74 150.2(3) . . . yes
Zn6 Cu4 C75 112.3(3) . . . yes
Zn6 Cu4 C72 112.8(3) . . . yes
Zn6 Cu4 C73 149.7(3) . . . yes
C72 Cu4 C74 63.1(4) . . . yes
C72 Cu4 C75 63.4(3) . . . yes
C73 Cu4 C74 38.2(4) . . . yes
C73 Cu4 C75 63.8(4) . . . yes
C74 Cu4 C75 38.1(4) . . . yes
Zn7 Cu4 C73 93.6(3) . . . yes
Zn6 Cu4 Zn7 109.67(6) . . . yes
Zn6 Cu4 C71 94.6(3) . . . yes
C71 Cu4 C72 37.7(4) . . . yes
C71 Cu4 C73 63.3(4) . . . yes
C71 Cu4 C74 63.8(4) . . . yes
Zn7 Cu4 C72 125.3(3) . . . yes
C72 Cu4 C73 37.2(4) . . . yes
Zn7 Cu4 C74 93.8(3) . . . yes
Zn7 Cu4 C75 126.4(3) . . . yes
C71 Cu4 C75 38.4(4) . . . yes
Zn6 Cu5 C84 106.8(4) . . . yes
Zn6 Cu5 C85 144.0(4) . . . yes
Zn6 Cu5 C83 94.4(4) . . . yes
Zn6 Cu5 Zn7 109.38(6) . . . yes
C81 Cu5 C85 37.7(5) . . . yes
Zn6 Cu5 C81 152.1(4) . . . yes
Zn6 Cu5 C82 116.6(4) . . . yes
C82 Cu5 C85 61.5(5) . . . yes
C83 Cu5 C84 39.6(5) . . . yes
C83 Cu5 C85 63.2(5) . . . yes
C84 Cu5 C85 38.0(5) . . . yes
Zn7 Cu5 C81 94.5(3) . . . yes
Zn7 Cu5 C82 122.4(4) . . . yes
Zn7 Cu5 C83 155.3(4) . . . yes
Zn7 Cu5 C84 132.5(4) . . . yes
Zn7 Cu5 C85 98.5(4) . . . yes
C81 Cu5 C82 35.6(5) . . . yes
C81 Cu5 C83 60.8(5) . . . yes
C81 Cu5 C84 63.1(5) . . . yes
C82 Cu5 C84 62.5(4) . . . yes
C82 Cu5 C83 35.4(5) . . . yes
Zn7 Cu6 C95 146.1(3) . . . yes
Zn7 Cu6 C94 149.7(3) . . . yes
C91 Cu6 C94 63.1(5) . . . yes
C91 Cu6 C95 37.2(5) . . . yes
C92 Cu6 C93 37.6(5) . . . yes
Zn6 Cu6 Zn7 109.52(6) . . . yes
Zn6 Cu6 C91 128.4(4) . . . yes
Zn6 Cu6 C92 158.0(3) . . . yes
Zn6 Cu6 C93 126.0(3) . . . yes
Zn6 Cu6 C94 96.0(3) . . . yes
Zn6 Cu6 C95 96.9(3) . . . yes
Zn7 Cu6 C91 109.2(4) . . . yes
Zn7 Cu6 C92 92.5(3) . . . yes
Zn7 Cu6 C93 113.1(3) . . . yes
C93 Cu6 C94 36.6(4) . . . yes
C91 Cu6 C92 39.3(5) . . . yes
C91 Cu6 C93 63.7(5) . . . yes
C92 Cu6 C95 63.4(4) . . . yes
C93 Cu6 C95 62.6(4) . . . yes
C94 Cu6 C95 38.0(4) . . . yes
C92 Cu6 C94 62.6(4) . . . yes
Cu11 Zn14 Cu12 59.90(5) . . . yes
Cu10 Zn14 Cu11 59.56(6) . . . yes
Cu10 Zn14 Cu12 59.82(6) . . . yes
Cu11 Zn15 Cu12 59.96(6) . . . yes
Cu10 Zn15 Cu12 59.52(6) . . . yes
Cu10 Zn15 Cu11 59.84(6) . . . yes
C174 Cu10 C175 36.1(5) . . . yes
Zn14 Cu10 Zn15 110.04(7) . . . yes
Zn15 Cu10 C171 138.0(4) . . . yes
Zn14 Cu10 C174 116.1(3) . . . yes
Zn14 Cu10 C175 92.4(4) . . . yes
C171 Cu10 C174 62.3(5) . . . yes
Zn15 Cu10 C172 101.9(3) . . . yes
Zn15 Cu10 C173 94.6(3) . . . yes
Zn15 Cu10 C174 121.9(3) . . . yes
Zn15 Cu10 C175 156.2(3) . . . yes
C171 Cu10 C172 38.5(5) . . . yes
C171 Cu10 C173 63.7(5) . . . yes
C172 Cu10 C174 63.9(4) . . . yes
C171 Cu10 C175 37.2(5) . . . yes
C172 Cu10 C173 39.0(5) . . . yes
C173 Cu10 C175 62.0(5) . . . yes
C172 Cu10 C175 63.1(5) . . . yes
C173 Cu10 C174 37.8(5) . . . yes
Zn14 Cu10 C173 153.1(3) . . . yes
Zn14 Cu10 C171 101.5(3) . . . yes
Zn14 Cu10 C172 138.0(4) . . . yes
C183 Cu11 C185 62.8(4) . . . yes
Zn14 Cu11 C182 95.6(3) . . . yes
Zn14 Cu11 C183 129.3(3) . . . yes
Zn14 Cu11 C184 156.6(3) . . . yes
Zn15 Cu11 C183 109.8(3) . . . yes
Zn15 Cu11 C184 93.6(3) . . . yes
Zn15 Cu11 C185 114.1(3) . . . yes
C181 Cu11 C182 38.6(4) . . . yes
Zn14 Cu11 C185 124.0(3) . . . yes
Zn15 Cu11 C181 151.9(3) . . . yes
Zn15 Cu11 C182 146.7(3) . . . yes
C182 Cu11 C183 37.7(4) . . . yes
C182 Cu11 C184 63.9(4) . . . yes
C182 Cu11 C185 63.8(4) . . . yes
C183 Cu11 C184 37.5(4) . . . yes
Zn14 Cu11 Zn15 109.74(7) . . . yes
C184 Cu11 C185 38.3(4) . . . yes
C181 Cu11 C183 63.2(4) . . . yes
C181 Cu11 C184 64.0(4) . . . yes
C181 Cu11 C185 37.8(5) . . . yes
Zn14 Cu11 C181 93.1(3) . . . yes
Zn14 Cu12 C193 152.3(3) . . . yes
Zn14 Cu12 C194 114.1(3) . . . yes
Zn15 Cu12 C191 134.1(4) . . . yes
Zn14 Cu12 Zn15 109.49(7) . . . yes
Zn14 Cu12 C191 105.8(3) . . . yes
Zn14 Cu12 C192 142.9(4) . . . yes
Zn15 Cu12 C195 158.1(3) . . . yes
C191 Cu12 C192 38.0(5) . . . yes
Zn14 Cu12 C195 92.0(3) . . . yes
C193 Cu12 C195 63.8(4) . . . yes
C191 Cu12 C194 62.0(5) . . . yes
C191 Cu12 C195 36.4(5) . . . yes
C192 Cu12 C193 37.8(5) . . . yes
C192 Cu12 C194 63.0(5) . . . yes
C192 Cu12 C195 62.8(5) . . . yes
C193 Cu12 C194 38.3(4) . . . yes
Zn15 Cu12 C193 94.4(3) . . . yes
C194 Cu12 C195 37.8(5) . . . yes
Zn15 Cu12 C192 99.7(3) . . . yes
C191 Cu12 C193 63.2(5) . . . yes
Zn15 Cu12 C194 124.0(3) . . . yes
C1 Zn1 C4 60.8(5) . . . yes
C2 Zn1 C4 59.9(5) . . . yes
C2 Zn1 C3 35.8(5) . . . yes
C4 Zn1 C5 35.7(5) . . . yes
C1 Zn1 C5 37.5(5) . . . yes
C3 Zn1 C4 35.8(5) . . . yes
C1 Zn1 C2 35.6(5) . . . yes
C2 Zn1 C5 60.4(5) . . . yes
C1 Zn1 C3 59.8(5) . . . yes
C3 Zn1 C5 59.7(5) . . . yes
C12 Zn4 C14 60.7(4) . . . yes
C11 Zn4 C15 35.9(5) . . . yes
C11 Zn4 C12 36.4(4) . . . yes
C11 Zn4 C13 60.0(4) . . . yes
C11 Zn4 C14 60.0(5) . . . yes
C14 Zn4 C15 36.7(5) . . . yes
C12 Zn4 C15 61.1(4) . . . yes
C13 Zn4 C15 60.6(4) . . . yes
C12 Zn4 C13 36.6(4) . . . yes
C13 Zn4 C14 35.8(4) . . . yes
C54 Zn5 C55 36.8(4) . . . yes
C52 Zn5 C53 35.9(4) . . . yes
C52 Zn5 C55 61.3(4) . . . yes
C51 Zn5 C53 60.9(4) . . . yes
C53 Zn5 C55 60.5(4) . . . yes
C52 Zn5 C54 60.6(4) . . . yes
C53 Zn5 C54 35.8(4) . . . yes
C51 Zn5 C54 60.9(4) . . . yes
C51 Zn5 C55 36.1(4) . . . yes
C51 Zn5 C52 37.8(4) . . . yes
C63 Zn8 C65 59.6(5) . . . yes
C61 Zn8 C62 37.4(5) . . . yes
C62 Zn8 C65 60.9(5) . . . yes
C62 Zn8 C63 35.9(5) . . . yes
C61 Zn8 C65 36.9(5) . . . yes
C61 Zn8 C64 60.1(5) . . . yes
C62 Zn8 C64 60.0(4) . . . yes
C63 Zn8 C64 36.0(5) . . . yes
C64 Zn8 C65 34.8(5) . . . yes
C61 Zn8 C63 60.9(5) . . . yes
C103 Zn9 C105 61.0(5) . . . yes
C102 Zn9 C103 37.2(4) . . . yes
C104 Zn9 C105 35.9(5) . . . yes
C103 Zn9 C104 37.3(4) . . . yes
C101 Zn9 C103 61.1(4) . . . yes
C101 Zn9 C104 60.5(4) . . . yes
C101 Zn9 C105 36.2(4) . . . yes
C102 Zn9 C105 60.3(4) . . . yes
C101 Zn9 C102 35.9(4) . . . yes
C102 Zn9 C104 61.3(4) . . . yes
C111 Zn12 C112 37.0(5) . . . yes
C114 Zn12 C115 35.6(4) . . . yes
C112 Zn12 C115 61.2(4) . . . yes
C111 Zn12 C114 60.6(4) . . . yes
C111 Zn12 C115 36.7(4) . . . yes
C111 Zn12 C113 61.5(4) . . . yes
C113 Zn12 C115 61.0(4) . . . yes
C113 Zn12 C114 37.1(4) . . . yes
C112 Zn12 C113 36.7(4) . . . yes
C112 Zn12 C114 61.1(4) . . . yes
C151 Zn13 C155 35.7(4) . . . yes
C152 Zn13 C154 62.6(4) . . . yes
C151 Zn13 C154 61.1(4) . . . yes
C154 Zn13 C155 36.6(4) . . . yes
C152 Zn13 C155 61.9(5) . . . yes
C152 Zn13 C153 39.8(5) . . . yes
C153 Zn13 C155 62.2(5) . . . yes
C151 Zn13 C153 63.9(5) . . . yes
C153 Zn13 C154 36.6(5) . . . yes
C151 Zn13 C152 37.9(5) . . . yes
C161 Zn16 C164 61.3(4) . . . yes
C162 Zn16 C163 37.3(4) . . . yes
C163 Zn16 C164 36.2(4) . . . yes
C161 Zn16 C162 37.3(4) . . . yes
C161 Zn16 C165 36.1(4) . . . yes
C161 Zn16 C163 61.4(3) . . . yes
C163 Zn16 C165 61.9(4) . . . yes
C164 Zn16 C165 37.9(4) . . . yes
C162 Zn16 C165 62.1(4) . . . yes
C162 Zn16 C164 61.8(4) . . . yes
C22B C21B C25B 110(4) . . . no
C25B C21B C26B 135(4) . . . no
Cu7 C21B C26B 123(3) . . . yes
C22B C21B C26B 115(4) . . . no
Cu7 C21B C22B 76(2) . . . yes
Cu7 C21B C25B 69(2) . . . yes
Cu7 C22B C21B 71(3) . . . yes
C21B C22B C23B 114(5) . . . no
C23B C22B C27B 114(4) . . . no
C21B C22B C27B 132(4) . . . no
Cu7 C22B C27B 126(2) . . . yes
Cu7 C22B C23B 71(2) . . . yes
C22B C23B C24B 102(3) . . . no
Cu7 C23B C24B 66(2) . . . yes
Cu7 C23B C28B 131(2) . . . yes
C22B C23B C28B 139(4) . . . no
C24B C23B C28B 118(4) . . . no
Cu7 C23B C22B 73(2) . . . yes
Cu7 C24B C29B 131(3) . . . yes
Cu7 C24B C25B 72(3) . . . yes
Cu7 C24B C23B 74(2) . . . yes
C23B C24B C29B 127(4) . . . no
C25B C24B C29B 124(4) . . . no
C23B C24B C25B 108(4) . . . no
Cu7 C25B C24B 70(2) . . . yes
C21B C25B C30B 123(4) . . . no
Cu7 C25B C30B 125(3) . . . yes
C21B C25B C24B 107(4) . . . no
Cu7 C25B C21B 72(2) . . . yes
C24B C25B C30B 130(4) . . . no
Cu7 C121 C125 69.4(7) . . . yes
C125 C121 C126 126.7(15) . . . no
C122 C121 C125 107.8(12) . . . no
C122 C121 C126 125.1(15) . . . no
Cu7 C121 C122 70.8(8) . . . yes
Cu7 C121 C126 131.1(9) . . . yes
C123 C122 C127 122.6(15) . . . no
Cu7 C122 C123 71.2(8) . . . yes
C121 C122 C127 127.8(15) . . . no
Cu7 C122 C127 129.9(11) . . . yes
C121 C122 C123 109.1(14) . . . no
Cu7 C122 C121 71.3(8) . . . yes
C122 C123 C128 126.7(16) . . . no
C124 C123 C128 123.6(14) . . . no
Cu7 C123 C124 71.3(9) . . . yes
C122 C123 C124 109.4(14) . . . no
Cu7 C123 C128 128.3(10) . . . yes
Cu7 C123 C122 71.5(9) . . . yes
Cu7 C124 C125 69.4(8) . . . yes
Cu7 C124 C129 127.1(10) . . . yes
C125 C124 C129 122.9(16) . . . no
Cu7 C124 C123 71.0(9) . . . yes
C123 C124 C125 107.6(13) . . . no
C123 C124 C129 129.4(15) . . . no
C124 C125 C130 125.5(14) . . . no
Cu7 C125 C121 71.6(8) . . . yes
C121 C125 C124 106.1(13) . . . no
Cu7 C125 C130 131.1(11) . . . yes
C121 C125 C130 127.4(14) . . . no
Cu7 C125 C124 71.1(8) . . . yes
C132 C131 C135 109.8(11) . . . no
Cu8 C131 C136 129.4(8) . . . yes
Cu8 C131 C135 72.2(7) . . . yes
C135 C131 C136 129.4(14) . . . no
C132 C131 C136 120.3(13) . . . no
Cu8 C131 C132 71.1(7) . . . yes
C131 C132 C133 107.3(11) . . . no
Cu8 C132 C133 71.4(7) . . . yes
C131 C132 C137 126.8(12) . . . no
C133 C132 C137 125.7(12) . . . no
Cu8 C132 C137 127.1(9) . . . yes
Cu8 C132 C131 71.2(7) . . . yes
C134 C133 C138 125.4(12) . . . no
Cu8 C133 C138 128.4(9) . . . yes
C132 C133 C138 128.5(12) . . . no
Cu8 C133 C132 71.4(7) . . . yes
C132 C133 C134 105.6(11) . . . no
Cu8 C133 C134 70.8(7) . . . yes
C133 C134 C139 124.2(12) . . . no
Cu8 C134 C139 127.9(8) . . . yes
Cu8 C134 C135 71.3(7) . . . yes
Cu8 C134 C133 70.5(7) . . . yes
C135 C134 C139 128.1(13) . . . no
C133 C134 C135 107.4(11) . . . no
C131 C135 C134 109.9(12) . . . no
C131 C135 C140 125.1(13) . . . no
Cu8 C135 C140 130.3(8) . . . yes
Cu8 C135 C134 72.0(7) . . . yes
C134 C135 C140 124.2(13) . . . no
Cu8 C135 C131 72.6(7) . . . yes
C145 C141 C146 127.1(10) . . . no
Cu9 C141 C142 71.2(6) . . . yes
C142 C141 C146 125.9(11) . . . no
C142 C141 C145 106.8(9) . . . no
Cu9 C141 C146 128.6(8) . . . yes
Cu9 C141 C145 69.6(6) . . . yes
C141 C142 C143 107.6(9) . . . no
Cu9 C142 C143 70.5(6) . . . yes
Cu9 C142 C141 71.1(6) . . . yes
C143 C142 C147 125.3(11) . . . no
C141 C142 C147 126.7(11) . . . no
Cu9 C142 C147 130.1(8) . . . yes
Cu9 C143 C142 71.8(6) . . . yes
C142 C143 C144 108.9(9) . . . no
Cu9 C143 C144 71.3(6) . . . yes
C142 C143 C148 124.5(10) . . . no
Cu9 C143 C148 129.0(8) . . . yes
C144 C143 C148 126.2(10) . . . no
C145 C144 C149 125.8(10) . . . no
Cu9 C144 C145 70.7(6) . . . yes
C143 C144 C149 125.2(10) . . . no
Cu9 C144 C143 71.6(6) . . . yes
C143 C144 C145 108.7(10) . . . no
Cu9 C144 C149 129.4(8) . . . yes
Cu9 C145 C150 129.2(8) . . . yes
Cu9 C145 C141 72.1(6) . . . yes
C141 C145 C144 108.1(10) . . . no
Cu9 C145 C144 71.7(6) . . . yes
C141 C145 C150 123.4(10) . . . no
C144 C145 C150 127.9(10) . . . no
H26A C26B H26B 110.00 . . . no
C21B C26B H26C 109.00 . . . no
C21B C26B H26B 109.00 . . . no
H26A C26B H26C 110.00 . . . no
C21B C26B H26A 109.00 . . . no
H26B C26B H26C 110.00 . . . no
H27A C27B H27C 109.00 . . . no
H27A C27B H27B 109.00 . . . no
C22B C27B H27B 110.00 . . . no
H27B C27B H27C 109.00 . . . no
C22B C27B H27C 109.00 . . . no
C22B C27B H27A 110.00 . . . no
H28A C28B H28C 109.00 . . . no
C23B C28B H28A 109.00 . . . no
H28A C28B H28B 110.00 . . . no
C23B C28B H28B 109.00 . . . no
H28B C28B H28C 109.00 . . . no
C23B C28B H28C 109.00 . . . no
C24B C29B H29F 110.00 . . . no
C24B C29B H29E 109.00 . . . no
H29D C29B H29E 109.00 . . . no
H29D C29B H29F 109.00 . . . no
H29E C29B H29F 109.00 . . . no
C24B C29B H29D 110.00 . . . no
C25B C30B H30A 110.00 . . . no
C25B C30B H30C 109.00 . . . no
H30A C30B H30B 109.00 . . . no
C25B C30B H30B 109.00 . . . no
H30A C30B H30C 109.00 . . . no
H30B C30B H30C 109.00 . . . no
C121 C126 H12C 110.00 . . . no
C121 C126 H12B 110.00 . . . no
C121 C126 H12A 109.00 . . . no
H12B C126 H12C 110.00 . . . no
H12A C126 H12B 109.00 . . . no
H12A C126 H12C 109.00 . . . no
H12E C127 H12F 109.00 . . . no
C122 C127 H12D 109.00 . . . no
H12D C127 H12F 110.00 . . . no
C122 C127 H12F 109.00 . . . no
C122 C127 H12E 110.00 . . . no
H12D C127 H12E 109.00 . . . no
H12H C128 H12I 110.00 . . . no
C123 C128 H12H 109.00 . . . no
C123 C128 H12I 109.00 . . . no
H12G C128 H12I 109.00 . . . no
H12G C128 H12H 110.00 . . . no
C123 C128 H12G 109.00 . . . no
H12J C129 H12K 110.00 . . . no
C124 C129 H12L 109.00 . . . no
C124 C129 H12J 109.00 . . . no
H12J C129 H12L 109.00 . . . no
H12K C129 H12L 110.00 . . . no
C124 C129 H12K 109.00 . . . no
C125 C130 H13O 110.00 . . . no
H13M C130 H13N 109.00 . . . no
H13M C130 H13O 109.00 . . . no
C125 C130 H13N 110.00 . . . no
H13N C130 H13O 110.00 . . . no
C125 C130 H13M 109.00 . . . no
H13J C136 H13L 109.00 . . . no
C131 C136 H13J 109.00 . . . no
C131 C136 H13K 110.00 . . . no
C131 C136 H13L 109.00 . . . no
H13J C136 H13K 109.00 . . . no
H13K C136 H13L 110.00 . . . no
H13H C137 H13I 109.00 . . . no
C132 C137 H13I 109.00 . . . no
H13G C137 H13H 110.00 . . . no
H13G C137 H13I 109.00 . . . no
C132 C137 H13G 109.00 . . . no
C132 C137 H13H 109.00 . . . no
C133 C138 H13F 109.00 . . . no
H13E C138 H13F 110.00 . . . no
C133 C138 H13D 109.00 . . . no
H13D C138 H13F 110.00 . . . no
H13D C138 H13E 109.00 . . . no
C133 C138 H13E 109.00 . . . no
C134 C139 H13A 110.00 . . . no
C134 C139 H13C 109.00 . . . no
H13B C139 H13C 109.00 . . . no
H13A C139 H13C 110.00 . . . no
C134 C139 H13B 109.00 . . . no
H13A C139 H13B 110.00 . . . no
C135 C140 H14O 110.00 . . . no
H14M C140 H14N 109.00 . . . no
H14N C140 H14O 109.00 . . . no
C135 C140 H14M 110.00 . . . no
H14M C140 H14O 109.00 . . . no
C135 C140 H14N 110.00 . . . no
H14J C146 H14K 110.00 . . . no
C141 C146 H14K 109.00 . . . no
C141 C146 H14J 109.00 . . . no
H14J C146 H14L 109.00 . . . no
C141 C146 H14L 109.00 . . . no
H14K C146 H14L 110.00 . . . no
C142 C147 H14I 109.00 . . . no
H14H C147 H14I 109.00 . . . no
C142 C147 H14H 109.00 . . . no
H14G C147 H14I 110.00 . . . no
H14G C147 H14H 110.00 . . . no
C142 C147 H14G 109.00 . . . no
H14E C148 H14F 109.00 . . . no
H14D C148 H14F 109.00 . . . no
C143 C148 H14D 110.00 . . . no
C143 C148 H14E 109.00 . . . no
C143 C148 H14F 109.00 . . . no
H14D C148 H14E 110.00 . . . no
H14B C149 H14C 109.00 . . . no
C144 C149 H14C 110.00 . . . no
C144 C149 H14A 110.00 . . . no
H14A C149 H14C 109.00 . . . no
C144 C149 H14B 110.00 . . . no
H14A C149 H14B 109.00 . . . no
H15B C150 H15C 109.00 . . . no
H15A C150 H15B 110.00 . . . no
C145 C150 H15B 109.00 . . . no
C145 C150 H15C 109.00 . . . no
C145 C150 H15A 109.00 . . . no
H15A C150 H15C 110.00 . . . no
C22 C21 C25 107.4(10) . . . no
C22 C21 C26 124.4(11) . . . no
Cu1 C21 C26 130.4(8) . . . yes
Cu1 C21 C22 69.5(6) . . . yes
Cu1 C21 C25 70.3(6) . . . yes
C25 C21 C26 127.9(11) . . . no
C23 C22 C27 124.7(10) . . . no
C21 C22 C27 127.0(11) . . . no
Cu1 C22 C27 131.0(8) . . . yes
Cu1 C22 C23 71.3(6) . . . yes
C21 C22 C23 107.4(10) . . . no
Cu1 C22 C21 71.9(6) . . . yes
C22 C23 C28 122.6(11) . . . no
C22 C23 C24 109.9(9) . . . no
Cu1 C23 C22 71.6(6) . . . yes
C24 C23 C28 127.3(11) . . . no
Cu1 C23 C24 70.6(6) . . . yes
Cu1 C23 C28 128.9(6) . . . yes
Cu1 C24 C29 130.0(9) . . . yes
Cu1 C24 C25 71.9(6) . . . yes
C23 C24 C29 125.9(11) . . . no
Cu1 C24 C23 72.4(6) . . . yes
C25 C24 C29 124.5(11) . . . no
C23 C24 C25 108.7(9) . . . no
Cu1 C25 C30 128.6(9) . . . yes
C21 C25 C24 106.6(10) . . . no
C21 C25 C30 131.9(12) . . . no
Cu1 C25 C21 72.2(7) . . . yes
C24 C25 C30 121.1(12) . . . no
Cu1 C25 C24 69.3(6) . . . yes
Cu2 C31 C32 70.8(6) . . . yes
C35 C31 C36 123.2(10) . . . no
Cu2 C31 C35 71.0(6) . . . yes
C32 C31 C35 108.3(10) . . . no
Cu2 C31 C36 129.3(8) . . . yes
C32 C31 C36 128.2(10) . . . no
Cu2 C32 C31 71.1(7) . . . yes
C31 C32 C33 107.5(11) . . . no
Cu2 C32 C37 127.7(9) . . . yes
C33 C32 C37 126.7(12) . . . no
Cu2 C32 C33 71.1(7) . . . yes
C31 C32 C37 125.5(11) . . . no
C32 C33 C38 123.6(11) . . . no
Cu2 C33 C38 129.0(8) . . . yes
Cu2 C33 C34 72.1(7) . . . yes
C32 C33 C34 108.3(11) . . . no
C34 C33 C38 127.6(10) . . . no
Cu2 C33 C32 70.9(7) . . . yes
C35 C34 C39 122.7(11) . . . no
Cu2 C34 C39 129.2(7) . . . yes
C33 C34 C35 108.4(10) . . . no
C33 C34 C39 128.8(11) . . . no
Cu2 C34 C35 70.5(6) . . . yes
Cu2 C34 C33 70.1(6) . . . yes
C31 C35 C40 124.6(10) . . . no
C34 C35 C40 127.2(10) . . . no
Cu2 C35 C34 72.1(6) . . . yes
C31 C35 C34 107.6(10) . . . no
Cu2 C35 C31 70.8(6) . . . yes
Cu2 C35 C40 129.7(8) . . . yes
C45 C41 C46 127.1(10) . . . no
Cu3 C41 C46 129.0(7) . . . yes
C42 C41 C46 129.2(10) . . . no
C42 C41 C45 103.4(9) . . . no
Cu3 C41 C42 69.9(6) . . . yes
Cu3 C41 C45 69.3(6) . . . yes
Cu3 C42 C43 70.8(6) . . . yes
C43 C42 C47 126.2(12) . . . no
C41 C42 C47 127.9(11) . . . no
C41 C42 C43 105.7(10) . . . no
Cu3 C42 C41 70.2(6) . . . yes
Cu3 C42 C47 127.9(8) . . . yes
Cu3 C43 C48 130.8(8) . . . yes
C44 C43 C48 127.1(11) . . . no
Cu3 C43 C44 72.3(7) . . . yes
C42 C43 C48 121.9(11) . . . no
C42 C43 C44 110.2(11) . . . no
Cu3 C43 C42 71.5(6) . . . yes
Cu3 C44 C45 71.4(6) . . . yes
C45 C44 C49 123.1(10) . . . no
Cu3 C44 C43 72.5(6) . . . yes
Cu3 C44 C49 127.3(8) . . . yes
C43 C44 C45 112.6(10) . . . no
C43 C44 C49 124.2(11) . . . no
C41 C45 C50 122.0(10) . . . no
Cu3 C45 C50 129.6(8) . . . yes
Cu3 C45 C44 72.5(6) . . . yes
C44 C45 C50 129.2(10) . . . no
C41 C45 C44 108.1(10) . . . no
Cu3 C45 C41 71.4(6) . . . yes
H26E C26 H26F 109.00 . . . no
C21 C26 H26E 109.00 . . . no
H26D C26 H26F 110.00 . . . no
C21 C26 H26D 110.00 . . . no
C21 C26 H26F 109.00 . . . no
H26D C26 H26E 110.00 . . . no
C22 C27 H27F 109.00 . . . no
H27D C27 H27F 109.00 . . . no
H27D C27 H27E 110.00 . . . no
C22 C27 H27E 110.00 . . . no
C22 C27 H27D 110.00 . . . no
H27E C27 H27F 109.00 . . . no
H28D C28 H28E 109.00 . . . no
C23 C28 H28D 109.00 . . . no
H28D C28 H28F 109.00 . . . no
C23 C28 H28F 110.00 . . . no
H28E C28 H28F 110.00 . . . no
C23 C28 H28E 109.00 . . . no
H29B C29 H29C 109.00 . . . no
H29A C29 H29C 110.00 . . . no
C24 C29 H29C 109.00 . . . no
C24 C29 H29B 110.00 . . . no
C24 C29 H29A 109.00 . . . no
H29A C29 H29B 109.00 . . . no
H30D C30 H30F 110.00 . . . no
C25 C30 H30F 109.00 . . . no
C25 C30 H30D 109.00 . . . no
H30E C30 H30F 109.00 . . . no
H30D C30 H30E 110.00 . . . no
C25 C30 H30E 109.00 . . . no
C31 C36 H36A 110.00 . . . no
H36B C36 H36C 109.00 . . . no
H36A C36 H36C 109.00 . . . no
C31 C36 H36C 110.00 . . . no
C31 C36 H36B 109.00 . . . no
H36A C36 H36B 110.00 . . . no
H37A C37 H37B 110.00 . . . no
H37A C37 H37C 109.00 . . . no
C32 C37 H37B 110.00 . . . no
C32 C37 H37A 110.00 . . . no
C32 C37 H37C 109.00 . . . no
H37B C37 H37C 109.00 . . . no
C33 C38 H38A 109.00 . . . no
H38B C38 H38C 110.00 . . . no
C33 C38 H38B 110.00 . . . no
H38A C38 H38C 110.00 . . . no
C33 C38 H38C 109.00 . . . no
H38A C38 H38B 109.00 . . . no
H39A C39 H39C 109.00 . . . no
C34 C39 H39B 109.00 . . . no
H39A C39 H39B 109.00 . . . no
H39B C39 H39C 109.00 . . . no
C34 C39 H39A 110.00 . . . no
C34 C39 H39C 110.00 . . . no
H40A C40 H40B 109.00 . . . no
C35 C40 H40B 109.00 . . . no
H40B C40 H40C 109.00 . . . no
H40A C40 H40C 110.00 . . . no
C35 C40 H40C 110.00 . . . no
C35 C40 H40A 110.00 . . . no
H46B C46 H46C 109.00 . . . no
H46A C46 H46C 110.00 . . . no
C41 C46 H46B 109.00 . . . no
H46A C46 H46B 109.00 . . . no
C41 C46 H46A 110.00 . . . no
C41 C46 H46C 109.00 . . . no
C42 C47 H47B 109.00 . . . no
C42 C47 H47C 109.00 . . . no
C42 C47 H47A 110.00 . . . no
H47A C47 H47C 109.00 . . . no
H47A C47 H47B 109.00 . . . no
H47B C47 H47C 110.00 . . . no
H48A C48 H48C 110.00 . . . no
H48A C48 H48B 110.00 . . . no
C43 C48 H48B 109.00 . . . no
C43 C48 H48C 109.00 . . . no
H48B C48 H48C 109.00 . . . no
C43 C48 H48A 109.00 . . . no
H49A C49 H49B 109.00 . . . no
H49A C49 H49C 110.00 . . . no
C44 C49 H49A 109.00 . . . no
C44 C49 H49C 109.00 . . . no
H49B C49 H49C 109.00 . . . no
C44 C49 H49B 110.00 . . . no
H50A C50 H50C 109.00 . . . no
C45 C50 H50B 110.00 . . . no
H50A C50 H50B 110.00 . . . no
C45 C50 H50C 109.00 . . . no
H50B C50 H50C 109.00 . . . no
C45 C50 H50A 109.00 . . . no
C72 C71 C76 127.7(11) . . . no
C72 C71 C75 107.5(10) . . . no
C75 C71 C76 124.3(10) . . . no
Cu4 C71 C76 130.2(8) . . . yes
Cu4 C71 C72 71.3(6) . . . yes
Cu4 C71 C75 70.7(6) . . . yes
Cu4 C72 C77 129.4(8) . . . yes
Cu4 C72 C73 71.1(6) . . . yes
Cu4 C72 C71 71.0(6) . . . yes
C71 C72 C73 109.3(10) . . . no
C73 C72 C77 125.5(11) . . . no
C71 C72 C77 124.9(11) . . . no
C74 C73 C78 124.8(10) . . . no
C72 C73 C78 127.3(10) . . . no
Cu4 C73 C78 127.6(7) . . . yes
Cu4 C73 C74 70.2(6) . . . yes
Cu4 C73 C72 71.7(6) . . . yes
C72 C73 C74 107.8(10) . . . no
Cu4 C74 C79 129.4(8) . . . yes
C75 C74 C79 125.1(10) . . . no
Cu4 C74 C75 71.7(6) . . . yes
C73 C74 C75 108.4(9) . . . no
Cu4 C74 C73 71.6(6) . . . yes
C73 C74 C79 125.9(11) . . . no
Cu4 C75 C74 70.1(6) . . . yes
Cu4 C75 C71 70.8(6) . . . yes
C71 C75 C74 107.0(8) . . . no
C74 C75 C80 128.2(9) . . . no
C71 C75 C80 124.5(10) . . . no
Cu4 C75 C80 128.7(7) . . . yes
C82 C81 C85 108.2(12) . . . no
Cu5 C81 C86 130.0(9) . . . yes
Cu5 C81 C82 72.5(8) . . . yes
C82 C81 C86 125.9(13) . . . no
C85 C81 C86 125.3(13) . . . no
Cu5 C81 C85 70.0(8) . . . yes
C81 C82 C87 124.0(14) . . . no
Cu5 C82 C81 71.9(8) . . . yes
Cu5 C82 C87 131.4(9) . . . yes
C83 C82 C87 124.3(14) . . . no
Cu5 C82 C83 70.7(8) . . . yes
C81 C82 C83 111.2(12) . . . no
Cu5 C83 C82 74.0(8) . . . yes
Cu5 C83 C84 70.2(7) . . . yes
C82 C83 C88 125.2(14) . . . no
Cu5 C83 C88 130.0(10) . . . yes
C82 C83 C84 108.4(12) . . . no
C84 C83 C88 125.6(13) . . . no
C83 C84 C89 121.9(13) . . . no
Cu5 C84 C89 126.2(9) . . . yes
C83 C84 C85 104.3(11) . . . no
Cu5 C84 C85 71.2(7) . . . yes
C85 C84 C89 133.6(13) . . . no
Cu5 C84 C83 70.2(7) . . . yes
C84 C85 C90 126.7(13) . . . no
Cu5 C85 C81 72.3(7) . . . yes
Cu5 C85 C90 128.1(10) . . . yes
Cu5 C85 C84 70.8(7) . . . yes
C81 C85 C84 107.9(12) . . . no
C81 C85 C90 125.0(13) . . . no
C92 C91 C96 123.4(12) . . . no
Cu6 C91 C96 128.1(8) . . . yes
C95 C91 C96 130.6(13) . . . no
C92 C91 C95 105.9(11) . . . no
Cu6 C91 C95 70.4(7) . . . yes
Cu6 C91 C92 69.6(7) . . . yes
Cu6 C92 C97 130.5(8) . . . yes
C91 C92 C97 124.5(12) . . . no
C93 C92 C97 127.2(12) . . . no
Cu6 C92 C93 72.2(7) . . . yes
C91 C92 C93 107.4(10) . . . no
Cu6 C92 C91 71.2(7) . . . yes
C94 C93 C98 126.0(11) . . . no
Cu6 C93 C94 71.4(7) . . . yes
C92 C93 C98 124.6(11) . . . no
C92 C93 C94 108.8(11) . . . no
Cu6 C93 C98 131.1(8) . . . yes
Cu6 C93 C92 70.2(7) . . . yes
Cu6 C94 C99 129.4(8) . . . yes
C95 C94 C99 123.2(11) . . . no
Cu6 C94 C95 70.2(7) . . . yes
C93 C94 C95 108.5(10) . . . no
Cu6 C94 C93 72.0(7) . . . yes
C93 C94 C99 127.9(11) . . . no
Cu6 C95 C94 71.9(7) . . . yes
C91 C95 C100 124.1(11) . . . no
Cu6 C95 C91 72.4(7) . . . yes
C94 C95 C100 125.9(11) . . . no
C91 C95 C94 109.5(11) . . . no
Cu6 C95 C100 128.9(9) . . . yes
H76B C76 H76C 110.00 . . . no
C71 C76 H76B 109.00 . . . no
C71 C76 H76A 109.00 . . . no
H76A C76 H76C 109.00 . . . no
C71 C76 H76C 110.00 . . . no
H76A C76 H76B 109.00 . . . no
H77B C77 H77C 110.00 . . . no
C72 C77 H77C 109.00 . . . no
H77A C77 H77C 109.00 . . . no
C72 C77 H77B 109.00 . . . no
H77A C77 H77B 110.00 . . . no
C72 C77 H77A 109.00 . . . no
C73 C78 H78C 110.00 . . . no
C73 C78 H78A 109.00 . . . no
H78A C78 H78B 109.00 . . . no
C73 C78 H78B 109.00 . . . no
H78A C78 H78C 109.00 . . . no
H78B C78 H78C 110.00 . . . no
H79B C79 H79C 109.00 . . . no
C74 C79 H79B 110.00 . . . no
H79A C79 H79B 109.00 . . . no
H79A C79 H79C 109.00 . . . no
C74 C79 H79A 110.00 . . . no
C74 C79 H79C 110.00 . . . no
H80A C80 H80B 109.00 . . . no
C75 C80 H80A 110.00 . . . no
C75 C80 H80B 110.00 . . . no
C75 C80 H80C 110.00 . . . no
H80A C80 H80C 109.00 . . . no
H80B C80 H80C 109.00 . . . no
H86A C86 H86B 109.00 . . . no
H86B C86 H86C 110.00 . . . no
H86A C86 H86C 109.00 . . . no
C81 C86 H86A 109.00 . . . no
C81 C86 H86B 110.00 . . . no
C81 C86 H86C 110.00 . . . no
H87A C87 H87B 109.00 . . . no
C82 C87 H87C 110.00 . . . no
H87B C87 H87C 109.00 . . . no
C82 C87 H87B 110.00 . . . no
H87A C87 H87C 109.00 . . . no
C82 C87 H87A 109.00 . . . no
H88A C88 H88B 109.00 . . . no
H88B C88 H88C 110.00 . . . no
C83 C88 H88C 110.00 . . . no
C83 C88 H88A 109.00 . . . no
C83 C88 H88B 109.00 . . . no
H88A C88 H88C 110.00 . . . no
H89B C89 H89C 110.00 . . . no
C84 C89 H89C 109.00 . . . no
C84 C89 H89A 109.00 . . . no
H89A C89 H89B 109.00 . . . no
C84 C89 H89B 109.00 . . . no
H89A C89 H89C 109.00 . . . no
C85 C90 H90B 110.00 . . . no
H90A C90 H90B 109.00 . . . no
C85 C90 H90A 109.00 . . . no
H90B C90 H90C 110.00 . . . no
H90A C90 H90C 109.00 . . . no
C85 C90 H90C 109.00 . . . no
C91 C96 H96B 110.00 . . . no
C91 C96 H96C 110.00 . . . no
H96A C96 H96B 109.00 . . . no
H96A C96 H96C 109.00 . . . no
C91 C96 H96A 109.00 . . . no
H96B C96 H96C 110.00 . . . no
H97B C97 H97C 109.00 . . . no
H97A C97 H97B 110.00 . . . no
H97A C97 H97C 110.00 . . . no
C92 C97 H97A 110.00 . . . no
C92 C97 H97B 109.00 . . . no
C92 C97 H97C 109.00 . . . no
H98A C98 H98C 110.00 . . . no
H98B C98 H98C 110.00 . . . no
C93 C98 H98A 109.00 . . . no
C93 C98 H98C 109.00 . . . no
H98A C98 H98B 109.00 . . . no
C93 C98 H98B 109.00 . . . no
C94 C99 H99B 109.00 . . . no
H99B C99 H99C 110.00 . . . no
H99A C99 H99B 110.00 . . . no
C94 C99 H99A 109.00 . . . no
H99A C99 H99C 109.00 . . . no
C94 C99 H99C 110.00 . . . no
H10D C100 H10E 109.00 . . . no
H10E C100 H10F 110.00 . . . no
H10D C100 H10F 109.00 . . . no
C95 C100 H10E 110.00 . . . no
C95 C100 H10D 109.00 . . . no
C95 C100 H10F 110.00 . . . no
C175 C171 C176 130.2(13) . . . no
C172 C171 C176 122.3(13) . . . no
C172 C171 C175 107.3(12) . . . no
Cu10 C171 C176 127.7(9) . . . yes
Cu10 C171 C175 70.9(8) . . . yes
Cu10 C171 C172 70.7(8) . . . yes
Cu10 C172 C177 128.7(8) . . . yes
C173 C172 C177 126.9(12) . . . no
C171 C172 C177 127.6(13) . . . no
C171 C172 C173 105.1(12) . . . no
Cu10 C172 C171 70.8(8) . . . yes
Cu10 C172 C173 69.8(7) . . . yes
Cu10 C173 C174 72.1(6) . . . yes
Cu10 C173 C172 71.3(6) . . . yes
C172 C173 C174 108.1(11) . . . no
Cu10 C173 C178 127.8(9) . . . yes
C172 C173 C178 126.7(13) . . . no
C174 C173 C178 124.8(13) . . . no
C173 C174 C179 124.8(12) . . . no
Cu10 C174 C175 71.2(7) . . . yes
Cu10 C174 C173 70.1(6) . . . yes
C175 C174 C179 126.7(13) . . . no
Cu10 C174 C179 130.7(8) . . . yes
C173 C174 C175 108.0(11) . . . no
Cu10 C175 C171 72.0(8) . . . yes
Cu10 C175 C180 131.1(9) . . . yes
C171 C175 C180 119.9(12) . . . no
C174 C175 C180 127.6(12) . . . no
Cu10 C175 C174 72.7(7) . . . yes
C171 C175 C174 111.6(12) . . . no
Cu11 C181 C186 129.1(8) . . . yes
Cu11 C181 C185 72.2(6) . . . yes
Cu11 C181 C182 70.1(6) . . . yes
C182 C181 C186 125.4(11) . . . no
C185 C181 C186 126.3(11) . . . no
C182 C181 C185 107.9(10) . . . no
C181 C182 C187 124.0(11) . . . no
C183 C182 C187 128.6(10) . . . no
Cu11 C182 C187 128.7(8) . . . yes
C181 C182 C183 106.9(10) . . . no
Cu11 C182 C183 71.5(6) . . . yes
Cu11 C182 C181 71.3(6) . . . yes
C182 C183 C184 110.1(10) . . . no
C182 C183 C188 124.4(11) . . . no
Cu11 C183 C188 128.5(8) . . . yes
Cu11 C183 C184 71.0(6) . . . yes
Cu11 C183 C182 70.8(6) . . . yes
C184 C183 C188 125.3(11) . . . no
Cu11 C184 C185 72.4(7) . . . yes
C183 C184 C189 126.6(11) . . . no
C185 C184 C189 124.9(11) . . . no
C183 C184 C185 107.5(10) . . . no
Cu11 C184 C189 130.7(9) . . . yes
Cu11 C184 C183 71.6(6) . . . yes
C181 C185 C190 127.9(13) . . . no
Cu11 C185 C190 130.1(9) . . . yes
C181 C185 C184 107.5(10) . . . no
Cu11 C185 C181 70.1(6) . . . yes
C184 C185 C190 124.5(13) . . . no
Cu11 C185 C184 69.3(6) . . . yes
C192 C191 C196 128.4(12) . . . no
C195 C191 C196 122.7(12) . . . no
Cu12 C191 C192 69.7(7) . . . yes
Cu12 C191 C195 71.2(7) . . . yes
Cu12 C191 C196 129.1(8) . . . yes
C192 C191 C195 108.7(12) . . . no
Cu12 C192 C197 128.5(9) . . . yes
C191 C192 C197 120.9(12) . . . no
Cu12 C192 C191 72.3(7) . . . yes
Cu12 C192 C193 71.3(7) . . . yes
C193 C192 C197 130.4(13) . . . no
C191 C192 C193 108.2(11) . . . no
C194 C193 C198 126.4(12) . . . no
Cu12 C193 C192 70.9(7) . . . yes
C192 C193 C198 126.8(12) . . . no
Cu12 C193 C198 127.8(9) . . . yes
C192 C193 C194 106.5(11) . . . no
Cu12 C193 C194 71.1(7) . . . yes
C193 C194 C199 123.4(11) . . . no
Cu12 C194 C195 71.3(7) . . . yes
C193 C194 C195 108.2(11) . . . no
Cu12 C194 C199 130.2(8) . . . yes
C195 C194 C199 127.9(11) . . . no
Cu12 C194 C193 70.6(7) . . . yes
Cu12 C195 C191 72.5(7) . . . yes
C191 C195 C200 126.0(12) . . . no
Cu12 C195 C200 131.4(8) . . . yes
C191 C195 C194 108.4(11) . . . no
C194 C195 C200 124.6(12) . . . no
Cu12 C195 C194 70.9(7) . . . yes
H17G C176 H17H 109.00 . . . no
H17G C176 H17I 110.00 . . . no
C171 C176 H17I 109.00 . . . no
C171 C176 H17H 109.00 . . . no
H17H C176 H17I 109.00 . . . no
C171 C176 H17G 110.00 . . . no
H17J C177 H17L 109.00 . . . no
C172 C177 H17K 110.00 . . . no
H17J C177 H17K 109.00 . . . no
C172 C177 H17L 110.00 . . . no
C172 C177 H17J 110.00 . . . no
H17K C177 H17L 109.00 . . . no
H17M C178 H17N 109.00 . . . no
H17M C178 H17O 109.00 . . . no
H17N C178 H17O 110.00 . . . no
C173 C178 H17N 109.00 . . . no
C173 C178 H17O 110.00 . . . no
C173 C178 H17M 109.00 . . . no
C174 C179 H17R 109.00 . . . no
H17P C179 H17Q 110.00 . . . no
C174 C179 H17P 110.00 . . . no
H17P C179 H17R 110.00 . . . no
C174 C179 H17Q 109.00 . . . no
H17Q C179 H17R 109.00 . . . no
H18K C180 H18L 109.00 . . . no
C175 C180 H18J 109.00 . . . no
H18J C180 H18K 109.00 . . . no
C175 C180 H18L 110.00 . . . no
C175 C180 H18K 109.00 . . . no
H18J C180 H18L 110.00 . . . no
H18G C186 H18I 109.00 . . . no
C181 C186 H18I 109.00 . . . no
C181 C186 H18G 110.00 . . . no
H18H C186 H18I 109.00 . . . no
H18G C186 H18H 110.00 . . . no
C181 C186 H18H 109.00 . . . no
C182 C187 H18F 109.00 . . . no
C182 C187 H18D 109.00 . . . no
C182 C187 H18E 109.00 . . . no
H18D C187 H18F 109.00 . . . no
H18E C187 H18F 109.00 . . . no
H18D C187 H18E 110.00 . . . no
H18P C188 H18R 109.00 . . . no
H18Q C188 H18R 110.00 . . . no
C183 C188 H18Q 109.00 . . . no
C183 C188 H18R 110.00 . . . no
H18P C188 H18Q 109.00 . . . no
C183 C188 H18P 109.00 . . . no
H18M C189 H18O 110.00 . . . no
C184 C189 H18N 109.00 . . . no
C184 C189 H18O 109.00 . . . no
C184 C189 H18M 109.00 . . . no
H18M C189 H18N 110.00 . . . no
H18N C189 H18O 109.00 . . . no
C185 C190 H19E 109.00 . . . no
H19D C190 H19E 109.00 . . . no
H19E C190 H19F 110.00 . . . no
H19D C190 H19F 110.00 . . . no
C185 C190 H19F 109.00 . . . no
C185 C190 H19D 109.00 . . . no
C191 C196 H19R 109.00 . . . no
H19P C196 H19Q 110.00 . . . no
H19Q C196 H19R 109.00 . . . no
C191 C196 H19P 110.00 . . . no
H19P C196 H19R 110.00 . . . no
C191 C196 H19Q 109.00 . . . no
C192 C197 H19M 109.00 . . . no
C192 C197 H19N 109.00 . . . no
C192 C197 H19O 109.00 . . . no
H19N C197 H19O 110.00 . . . no
H19M C197 H19N 109.00 . . . no
H19M C197 H19O 109.00 . . . no
C193 C198 H19J 109.00 . . . no
H19J C198 H19L 109.00 . . . no
C193 C198 H19L 110.00 . . . no
C193 C198 H19K 109.00 . . . no
H19J C198 H19K 109.00 . . . no
H19K C198 H19L 110.00 . . . no
H19H C199 H19I 110.00 . . . no
H19G C199 H19H 110.00 . . . no
H19G C199 H19I 109.00 . . . no
C194 C199 H19G 109.00 . . . no
C194 C199 H19H 110.00 . . . no
C194 C199 H19I 109.00 . . . no
C195 C200 H20C 109.00 . . . no
H20A C200 H20C 109.00 . . . no
C195 C200 H20A 109.00 . . . no
H20A C200 H20B 110.00 . . . no
H20B C200 H20C 110.00 . . . no
C195 C200 H20B 109.00 . . . no
Zn1 C1 C5 71.9(8) . . . yes
C2 C1 C5 107.5(12) . . . no
Zn1 C1 C6 123.5(9) . . . yes
C2 C1 C6 126.2(13) . . . no
Zn1 C1 C2 73.6(8) . . . yes
C5 C1 C6 126.2(12) . . . no
Zn1 C2 C1 70.8(8) . . . yes
C1 C2 C7 127.9(13) . . . no
C1 C2 C3 108.2(12) . . . no
Zn1 C2 C7 124.1(10) . . . yes
Zn1 C2 C3 72.0(8) . . . yes
C3 C2 C7 123.9(14) . . . no
C4 C3 C8 123.1(13) . . . no
C2 C3 C4 108.8(12) . . . no
Zn1 C3 C4 71.6(8) . . . yes
C2 C3 C8 128.0(13) . . . no
Zn1 C3 C2 72.3(8) . . . yes
Zn1 C3 C8 125.7(9) . . . yes
Zn1 C4 C9 124.4(10) . . . yes
C3 C4 C9 127.7(12) . . . no
C3 C4 C5 108.6(13) . . . no
Zn1 C4 C3 72.6(8) . . . yes
Zn1 C4 C5 72.1(8) . . . yes
C5 C4 C9 123.7(13) . . . no
C1 C5 C4 106.9(12) . . . no
C4 C5 C10 131.1(14) . . . no
Zn1 C5 C4 72.2(8) . . . yes
Zn1 C5 C10 122.8(9) . . . yes
Zn1 C5 C1 70.6(7) . . . yes
C1 C5 C10 122.0(12) . . . no
H6AB C6 H6AC 110.00 . . . no
H6AB C6 H6A 109.00 . . . no
C1 C6 H6A 109.00 . . . no
H6AC C6 H6A 110.00 . . . no
C1 C6 H6AB 109.00 . . . no
C1 C6 H6AC 110.00 . . . no
C2 C7 H7AB 109.00 . . . no
H7AB C7 H7A 109.00 . . . no
H7AC C7 H7A 109.00 . . . no
C2 C7 H7AC 109.00 . . . no
C2 C7 H7A 109.00 . . . no
H7AB C7 H7AC 110.00 . . . no
H8AC C8 H8A 109.00 . . . no
H8AB C8 H8AC 109.00 . . . no
H8AB C8 H8A 110.00 . . . no
C3 C8 H8AC 109.00 . . . no
C3 C8 H8A 109.00 . . . no
C3 C8 H8AB 110.00 . . . no
H9AC C9 H9A 109.00 . . . no
H9AB C9 H9AC 109.00 . . . no
C4 C9 H9AB 109.00 . . . no
H9AB C9 H9A 109.00 . . . no
C4 C9 H9A 110.00 . . . no
C4 C9 H9AC 110.00 . . . no
H10A C10 H10C 109.00 . . . no
C5 C10 H10A 110.00 . . . no
H10A C10 H10B 109.00 . . . no
C5 C10 H10C 110.00 . . . no
H10B C10 H10C 110.00 . . . no
C5 C10 H10B 109.00 . . . no
Zn4 C11 C16 124.1(9) . . . yes
C15 C11 C16 126.8(11) . . . no
C12 C11 C16 123.3(13) . . . no
Zn4 C11 C15 72.6(8) . . . yes
Zn4 C11 C12 71.0(7) . . . yes
C12 C11 C15 109.9(11) . . . no
C13 C12 C17 128.1(10) . . . no
C11 C12 C13 106.9(11) . . . no
C11 C12 C17 124.7(11) . . . no
Zn4 C12 C13 72.9(6) . . . yes
Zn4 C12 C17 125.4(8) . . . yes
Zn4 C12 C11 72.6(7) . . . yes
C14 C13 C18 126.2(11) . . . no
Zn4 C13 C18 124.6(8) . . . yes
Zn4 C13 C12 70.6(6) . . . yes
C12 C13 C18 125.2(11) . . . no
Zn4 C13 C14 72.4(7) . . . yes
C12 C13 C14 108.5(10) . . . no
C13 C14 C19 129.2(12) . . . no
C13 C14 C15 108.2(11) . . . no
Zn4 C14 C13 71.8(6) . . . yes
C15 C14 C19 122.5(12) . . . no
Zn4 C14 C15 71.5(7) . . . yes
Zn4 C14 C19 124.4(9) . . . yes
C14 C15 C20 129.3(14) . . . no
C11 C15 C14 106.4(11) . . . no
Zn4 C15 C14 71.8(7) . . . yes
C11 C15 C20 124.0(13) . . . no
Zn4 C15 C20 126.2(9) . . . yes
Zn4 C15 C11 71.5(7) . . . yes
H16Q C16 H16R 109.00 . . . no
C11 C16 H16Q 109.00 . . . no
H16P C16 H16R 109.00 . . . no
C11 C16 H16R 110.00 . . . no
H16P C16 H16Q 110.00 . . . no
C11 C16 H16P 110.00 . . . no
C12 C17 H17C 109.00 . . . no
H17B C17 H17C 110.00 . . . no
H17A C17 H17C 109.00 . . . no
C12 C17 H17A 109.00 . . . no
C12 C17 H17B 109.00 . . . no
H17A C17 H17B 110.00 . . . no
H18B C18 H18C 110.00 . . . no
C13 C18 H18C 109.00 . . . no
C13 C18 H18A 109.00 . . . no
C13 C18 H18B 110.00 . . . no
H18A C18 H18B 109.00 . . . no
H18A C18 H18C 109.00 . . . no
C14 C19 H19B 109.00 . . . no
H19B C19 H19C 109.00 . . . no
H19A C19 H19B 110.00 . . . no
H19A C19 H19C 109.00 . . . no
C14 C19 H19C 110.00 . . . no
C14 C19 H19A 109.00 . . . no
H20D C20 H20E 109.00 . . . no
C15 C20 H20D 110.00 . . . no
C15 C20 H20F 109.00 . . . no
C15 C20 H20E 109.00 . . . no
H20E C20 H20F 109.00 . . . no
H20D C20 H20F 110.00 . . . no
Zn5 C51 C56 123.8(8) . . . yes
Zn5 C51 C55 71.2(7) . . . yes
Zn5 C51 C52 70.5(6) . . . yes
C52 C51 C55 106.5(10) . . . no
C55 C51 C56 129.4(12) . . . no
C52 C51 C56 124.1(11) . . . no
C51 C52 C53 106.7(10) . . . no
C53 C52 C57 127.1(12) . . . no
C51 C52 C57 126.2(12) . . . no
Zn5 C52 C57 124.3(8) . . . yes
Zn5 C52 C51 71.8(6) . . . yes
Zn5 C52 C53 71.5(6) . . . yes
C52 C53 C58 125.2(11) . . . no
C54 C53 C58 124.1(11) . . . no
Zn5 C53 C52 72.7(6) . . . yes
Zn5 C53 C58 123.1(7) . . . yes
C52 C53 C54 110.6(10) . . . no
Zn5 C53 C54 72.7(7) . . . yes
C53 C54 C55 107.5(10) . . . no
C55 C54 C59 126.1(11) . . . no
C53 C54 C59 126.4(11) . . . no
Zn5 C54 C53 71.4(6) . . . yes
Zn5 C54 C55 71.5(7) . . . yes
Zn5 C54 C59 123.7(8) . . . yes
C54 C55 C60 126.7(11) . . . no
Zn5 C55 C51 72.7(7) . . . yes
Zn5 C55 C60 123.7(9) . . . yes
C51 C55 C54 108.7(10) . . . no
Zn5 C55 C54 71.7(7) . . . yes
C51 C55 C60 124.6(11) . . . no
H56A C56 H56C 110.00 . . . no
H56A C56 H56B 109.00 . . . no
C51 C56 H56B 109.00 . . . no
H56B C56 H56C 109.00 . . . no
C51 C56 H56A 110.00 . . . no
C51 C56 H56C 110.00 . . . no
H57B C57 H57C 109.00 . . . no
H57A C57 H57C 110.00 . . . no
C52 C57 H57B 109.00 . . . no
C52 C57 H57A 109.00 . . . no
H57A C57 H57B 109.00 . . . no
C52 C57 H57C 109.00 . . . no
C53 C58 H58A 109.00 . . . no
H58B C58 H58C 109.00 . . . no
H58A C58 H58C 109.00 . . . no
C53 C58 H58B 109.00 . . . no
C53 C58 H58C 109.00 . . . no
H58A C58 H58B 110.00 . . . no
C54 C59 H59B 109.00 . . . no
H59A C59 H59B 110.00 . . . no
C54 C59 H59C 109.00 . . . no
H59A C59 H59C 110.00 . . . no
C54 C59 H59A 109.00 . . . no
H59B C59 H59C 110.00 . . . no
C55 C60 H60B 109.00 . . . no
C55 C60 H60C 110.00 . . . no
H60B C60 H60C 110.00 . . . no
H60A C60 H60B 109.00 . . . no
C55 C60 H60A 109.00 . . . no
H60A C60 H60C 109.00 . . . no
Zn8 C61 C62 71.5(7) . . . yes
C65 C61 C66 124.8(14) . . . no
C62 C61 C65 106.1(12) . . . no
C62 C61 C66 128.9(13) . . . no
Zn8 C61 C65 72.8(7) . . . yes
Zn8 C61 C66 125.2(8) . . . yes
Zn8 C62 C63 72.0(8) . . . yes
Zn8 C62 C67 123.5(9) . . . yes
C63 C62 C67 132.1(14) . . . no
C61 C62 C63 107.2(12) . . . no
C61 C62 C67 120.6(12) . . . no
Zn8 C62 C61 71.1(7) . . . yes
Zn8 C63 C64 73.3(8) . . . yes
C64 C63 C68 129.0(12) . . . no
Zn8 C63 C62 72.1(8) . . . yes
C62 C63 C68 121.8(13) . . . no
Zn8 C63 C68 126.0(10) . . . yes
C62 C63 C64 108.9(13) . . . no
C65 C64 C69 127.6(13) . . . no
C63 C64 C65 109.1(11) . . . no
Zn8 C64 C65 72.4(7) . . . yes
C63 C64 C69 123.2(13) . . . no
Zn8 C64 C69 125.5(8) . . . yes
Zn8 C64 C63 70.8(7) . . . yes
C61 C65 C70 126.4(13) . . . no
C61 C65 C64 108.7(13) . . . no
Zn8 C65 C64 72.8(8) . . . yes
Zn8 C65 C61 70.4(7) . . . yes
Zn8 C65 C70 125.1(9) . . . yes
C64 C65 C70 124.9(13) . . . no
H66A C66 H66C 110.00 . . . no
H66A C66 H66B 109.00 . . . no
H66B C66 H66C 109.00 . . . no
C61 C66 H66C 109.00 . . . no
C61 C66 H66B 109.00 . . . no
C61 C66 H66A 109.00 . . . no
H67B C67 H67C 110.00 . . . no
H67A C67 H67B 109.00 . . . no
C62 C67 H67C 109.00 . . . no
C62 C67 H67A 110.00 . . . no
H67A C67 H67C 110.00 . . . no
C62 C67 H67B 109.00 . . . no
C63 C68 H68A 109.00 . . . no
H68A C68 H68C 110.00 . . . no
C63 C68 H68B 109.00 . . . no
H68B C68 H68C 110.00 . . . no
H68A C68 H68B 110.00 . . . no
C63 C68 H68C 109.00 . . . no
C64 C69 H69A 109.00 . . . no
C64 C69 H69B 109.00 . . . no
H69B C69 H69C 109.00 . . . no
C64 C69 H69C 109.00 . . . no
H69A C69 H69B 110.00 . . . no
H69A C69 H69C 109.00 . . . no
H70B C70 H70C 109.00 . . . no
H70A C70 H70C 109.00 . . . no
C65 C70 H70C 110.00 . . . no
H70A C70 H70B 109.00 . . . no
C65 C70 H70A 109.00 . . . no
C65 C70 H70B 110.00 . . . no
Zn9 C101 C105 72.6(7) . . . yes
Zn9 C101 C102 71.3(6) . . . yes
C102 C101 C106 125.1(11) . . . no
C105 C101 C106 126.2(11) . . . no
C102 C101 C105 108.6(11) . . . no
Zn9 C101 C106 124.2(8) . . . yes
Zn9 C102 C107 123.5(7) . . . yes
Zn9 C102 C103 71.8(6) . . . yes
C103 C102 C107 123.6(10) . . . no
Zn9 C102 C101 72.9(7) . . . yes
C101 C102 C107 127.4(10) . . . no
C101 C102 C103 109.0(10) . . . no
C104 C103 C108 130.5(10) . . . no
C102 C103 C108 123.7(10) . . . no
Zn9 C103 C102 71.0(6) . . . yes
C102 C103 C104 105.9(10) . . . no
Zn9 C103 C104 71.8(7) . . . yes
Zn9 C103 C108 122.7(8) . . . yes
C103 C104 C105 108.1(10) . . . no
Zn9 C104 C103 71.0(7) . . . yes
C103 C104 C109 125.9(10) . . . no
Zn9 C104 C109 123.8(8) . . . yes
Zn9 C104 C105 72.8(7) . . . yes
C105 C104 C109 126.0(10) . . . no
C101 C105 C104 108.4(11) . . . no
C101 C105 C110 125.8(12) . . . no
Zn9 C105 C110 122.4(9) . . . yes
Zn9 C105 C104 71.4(7) . . . yes
Zn9 C105 C101 71.2(7) . . . yes
C104 C105 C110 125.7(11) . . . no
H10P C106 H10Q 109.00 . . . no
H10P C106 H10R 109.00 . . . no
C101 C106 H10R 110.00 . . . no
C101 C106 H10Q 110.00 . . . no
H10Q C106 H10R 109.00 . . . no
C101 C106 H10P 109.00 . . . no
H10N C107 H10O 109.00 . . . no
H10M C107 H10O 110.00 . . . no
H10M C107 H10N 109.00 . . . no
C102 C107 H10M 109.00 . . . no
C102 C107 H10N 109.00 . . . no
C102 C107 H10O 110.00 . . . no
H10J C108 H10L 109.00 . . . no
H10J C108 H10K 109.00 . . . no
C103 C108 H10J 109.00 . . . no
H10K C108 H10L 109.00 . . . no
C103 C108 H10K 110.00 . . . no
C103 C108 H10L 110.00 . . . no
H10G C109 H10I 109.00 . . . no
C104 C109 H10H 110.00 . . . no
C104 C109 H10I 109.00 . . . no
H10H C109 H10I 110.00 . . . no
C104 C109 H10G 109.00 . . . no
H10G C109 H10H 109.00 . . . no
H11M C110 H11O 109.00 . . . no
H11N C110 H11O 109.00 . . . no
H11M C110 H11N 109.00 . . . no
C105 C110 H11O 110.00 . . . no
C105 C110 H11M 109.00 . . . no
C105 C110 H11N 110.00 . . . no
Zn12 C111 C112 70.6(7) . . . yes
Zn12 C111 C115 72.0(7) . . . yes
Zn12 C111 C116 125.2(9) . . . yes
C115 C111 C116 125.1(12) . . . no
C112 C111 C116 127.8(12) . . . no
C112 C111 C115 107.1(10) . . . no
C113 C112 C117 126.1(12) . . . no
Zn12 C112 C117 125.6(9) . . . yes
C111 C112 C113 108.7(11) . . . no
Zn12 C112 C113 72.4(6) . . . yes
Zn12 C112 C111 72.5(7) . . . yes
C111 C112 C117 125.0(11) . . . no
Zn12 C113 C118 125.2(8) . . . yes
C112 C113 C114 106.5(10) . . . no
Zn12 C113 C114 71.5(6) . . . yes
C112 C113 C118 126.8(11) . . . no
C114 C113 C118 126.6(11) . . . no
Zn12 C113 C112 70.9(7) . . . yes
Zn12 C114 C115 72.7(7) . . . yes
Zn12 C114 C119 125.2(8) . . . yes
Zn12 C114 C113 71.4(6) . . . yes
C113 C114 C119 125.2(12) . . . no
C113 C114 C115 109.3(10) . . . no
C115 C114 C119 125.4(12) . . . no
Zn12 C115 C120 124.9(9) . . . yes
C111 C115 C114 108.4(11) . . . no
C111 C115 C120 125.6(11) . . . no
Zn12 C115 C111 71.3(7) . . . yes
Zn12 C115 C114 71.7(7) . . . yes
C114 C115 C120 125.9(11) . . . no
H11J C116 H11K 110.00 . . . no
H11K C116 H11L 109.00 . . . no
C111 C116 H11L 110.00 . . . no
H11J C116 H11L 109.00 . . . no
C111 C116 H11K 109.00 . . . no
C111 C116 H11J 109.00 . . . no
C112 C117 H11G 109.00 . . . no
H11G C117 H11I 109.00 . . . no
H11G C117 H11H 110.00 . . . no
C112 C117 H11H 109.00 . . . no
H11H C117 H11I 110.00 . . . no
C112 C117 H11I 109.00 . . . no
C113 C118 H11D 109.00 . . . no
C113 C118 H11E 109.00 . . . no
H11D C118 H11F 109.00 . . . no
C113 C118 H11F 109.00 . . . no
H11E C118 H11F 110.00 . . . no
H11D C118 H11E 110.00 . . . no
C114 C119 H11C 110.00 . . . no
H11A C119 H11B 110.00 . . . no
H11A C119 H11C 109.00 . . . no
C114 C119 H11B 109.00 . . . no
H11B C119 H11C 109.00 . . . no
C114 C119 H11A 110.00 . . . no
H12N C120 H12O 109.00 . . . no
H12M C120 H12N 110.00 . . . no
H12M C120 H12O 109.00 . . . no
C115 C120 H12M 109.00 . . . no
C115 C120 H12N 109.00 . . . no
C115 C120 H12O 109.00 . . . no
Zn13 C151 C152 70.3(7) . . . yes
Zn13 C151 C155 74.2(7) . . . yes
Zn13 C151 C156 125.8(9) . . . yes
C152 C151 C155 109.6(11) . . . no
C155 C151 C156 126.9(13) . . . no
C152 C151 C156 123.3(11) . . . no
C151 C152 C153 106.0(11) . . . no
C151 C152 C157 131.8(12) . . . no
Zn13 C152 C157 123.5(9) . . . yes
Zn13 C152 C153 70.8(7) . . . yes
Zn13 C152 C151 71.8(7) . . . yes
C153 C152 C157 122.2(13) . . . no
Zn13 C153 C152 69.4(7) . . . yes
Zn13 C153 C154 72.9(8) . . . yes
C152 C153 C158 130.6(13) . . . no
C154 C153 C158 124.0(11) . . . no
Zn13 C153 C158 125.5(10) . . . yes
C152 C153 C154 105.2(12) . . . no
Zn13 C154 C159 126.1(8) . . . yes
Zn13 C154 C153 70.6(7) . . . yes
Zn13 C154 C155 72.6(6) . . . yes
C155 C154 C159 123.1(11) . . . no
C153 C154 C155 110.6(10) . . . no
C153 C154 C159 126.2(11) . . . no
Zn13 C155 C154 70.8(7) . . . yes
C151 C155 C160 124.7(12) . . . no
Zn13 C155 C160 125.2(9) . . . yes
C151 C155 C154 108.5(11) . . . no
Zn13 C155 C151 70.1(7) . . . yes
C154 C155 C160 126.8(11) . . . no
C151 C156 H15N 109.00 . . . no
C151 C156 H15O 109.00 . . . no
C151 C156 H15M 109.00 . . . no
H15M C156 H15O 110.00 . . . no
H15N C156 H15O 109.00 . . . no
H15M C156 H15N 110.00 . . . no
H15J C157 H15K 109.00 . . . no
H15J C157 H15L 109.00 . . . no
H15K C157 H15L 109.00 . . . no
C152 C157 H15J 110.00 . . . no
C152 C157 H15K 110.00 . . . no
C152 C157 H15L 109.00 . . . no
C153 C158 H15G 109.00 . . . no
C153 C158 H15H 109.00 . . . no
C153 C158 H15I 109.00 . . . no
H15H C158 H15I 110.00 . . . no
H15G C158 H15H 110.00 . . . no
H15G C158 H15I 109.00 . . . no
C154 C159 H15D 109.00 . . . no
H15D C159 H15E 109.00 . . . no
C154 C159 H15E 109.00 . . . no
C154 C159 H15F 109.00 . . . no
H15E C159 H15F 109.00 . . . no
H15D C159 H15F 110.00 . . . no
C155 C160 H16C 110.00 . . . no
C155 C160 H16B 110.00 . . . no
H16B C160 H16C 109.00 . . . no
H16A C160 H16B 109.00 . . . no
H16A C160 H16C 109.00 . . . no
C155 C160 H16A 110.00 . . . no
Zn16 C161 C162 71.3(6) . . . yes
Zn16 C161 C165 71.4(7) . . . yes
Zn16 C161 C166 123.9(8) . . . yes
C162 C161 C165 109.7(8) . . . no
C162 C161 C166 125.1(10) . . . no
C165 C161 C166 125.2(10) . . . no
Zn16 C162 C161 71.5(6) . . . yes
Zn16 C162 C163 72.6(6) . . . yes
Zn16 C162 C167 127.8(7) . . . yes
C161 C162 C163 106.7(9) . . . no
C161 C162 C167 126.5(10) . . . no
C163 C162 C167 126.2(10) . . . no
Zn16 C163 C162 70.2(6) . . . yes
Zn16 C163 C164 71.6(6) . . . yes
Zn16 C163 C168 123.1(8) . . . yes
C162 C163 C164 108.4(8) . . . no
C162 C163 C168 124.4(10) . . . no
C164 C163 C168 127.3(9) . . . no
Zn16 C164 C163 72.2(7) . . . yes
Zn16 C164 C165 69.7(6) . . . yes
Zn16 C164 C169 124.8(9) . . . yes
C163 C164 C165 107.5(9) . . . no
C163 C164 C169 126.8(10) . . . no
C165 C164 C169 125.7(11) . . . no
Zn16 C165 C161 72.5(7) . . . yes
Zn16 C165 C164 72.3(7) . . . yes
Zn16 C165 C170 127.2(8) . . . yes
C161 C165 C164 107.7(9) . . . no
C161 C165 C170 127.4(10) . . . no
C164 C165 C170 124.4(11) . . . no
C161 C166 H16D 109.00 . . . no
C161 C166 H16E 109.00 . . . no
C161 C166 H16F 109.00 . . . no
H16D C166 H16E 109.00 . . . no
H16D C166 H16F 109.00 . . . no
H16E C166 H16F 109.00 . . . no
C162 C167 H16M 109.00 . . . no
C162 C167 H16N 110.00 . . . no
C162 C167 H16O 109.00 . . . no
H16M C167 H16N 110.00 . . . no
H16M C167 H16O 109.00 . . . no
H16N C167 H16O 109.00 . . . no
C163 C168 H16J 109.00 . . . no
C163 C168 H16K 109.00 . . . no
C163 C168 H16L 109.00 . . . no
H16J C168 H16K 110.00 . . . no
H16J C168 H16L 110.00 . . . no
H16K C168 H16L 110.00 . . . no
C164 C169 H16G 109.00 . . . no
C164 C169 H16H 110.00 . . . no
C164 C169 H16I 110.00 . . . no
H16G C169 H16H 109.00 . . . no
H16G C169 H16I 109.00 . . . no
H16H C169 H16I 109.00 . . . no
C165 C170 H17D 109.00 . . . no
C165 C170 H17E 109.00 . . . no
C165 C170 H17F 110.00 . . . no
H17D C170 H17E 109.00 . . . no
H17D C170 H17F 110.00 . . . no
H17E C170 H17F 109.00 . . . no

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
Cu8 Zn10 Cu7 Zn11 -34.90(6) . . . . no
Cu8 Zn10 Cu7 C121 105.7(4) . . . . no
Cu8 Zn10 Cu7 C122 112.6(11) . . . . no
Cu8 Zn10 Cu7 C123 -173.7(6) . . . . no
Cu8 Zn10 Cu7 C124 175.0(4) . . . . no
Cu8 Zn10 Cu7 C125 137.5(4) . . . . no
Cu9 Zn10 Cu7 Zn11 35.48(7) . . . . no
Cu9 Zn10 Cu7 C121 176.1(4) . . . . no
Cu9 Zn10 Cu7 C122 -177.0(11) . . . . no
Cu9 Zn10 Cu7 C123 -103.3(6) . . . . no
Cu9 Zn10 Cu7 C124 -114.7(4) . . . . no
Cu9 Zn10 Cu7 C125 -152.1(4) . . . . no
Cu7 Zn10 Cu8 Zn11 34.61(6) . . . . no
Cu7 Zn10 Cu8 C131 179.2(4) . . . . no
Cu7 Zn10 Cu8 C132 -177.0(7) . . . . no
Cu7 Zn10 Cu8 C133 -106.2(5) . . . . no
Cu7 Zn10 Cu8 C134 -116.7(4) . . . . no
Cu7 Zn10 Cu8 C135 -151.6(4) . . . . no
Cu9 Zn10 Cu8 Zn11 -35.32(6) . . . . no
Cu9 Zn10 Cu8 C131 109.2(4) . . . . no
Cu9 Zn10 Cu8 C132 113.1(7) . . . . no
Cu9 Zn10 Cu8 C133 -176.1(5) . . . . no
Cu9 Zn10 Cu8 C134 173.3(4) . . . . no
Cu9 Zn10 Cu8 C135 138.5(4) . . . . no
Cu7 Zn10 Cu9 Zn11 -35.43(7) . . . . no
Cu7 Zn10 Cu9 C141 125.8(3) . . . . no
Cu7 Zn10 Cu9 C142 103.5(3) . . . . no
Cu7 Zn10 Cu9 C143 141.4(7) . . . . no
Cu7 Zn10 Cu9 C144 -175.7(4) . . . . no
Cu7 Zn10 Cu9 C145 164.2(3) . . . . no
Cu8 Zn10 Cu9 Zn11 35.56(7) . . . . no
Cu8 Zn10 Cu9 C141 -163.2(3) . . . . no
Cu8 Zn10 Cu9 C142 174.4(3) . . . . no
Cu8 Zn10 Cu9 C143 -147.7(7) . . . . no
Cu8 Zn10 Cu9 C144 -104.7(4) . . . . no
Cu8 Zn10 Cu9 C145 -124.8(3) . . . . no
Cu8 Zn11 Cu7 Zn10 34.79(6) . . . . no
Cu8 Zn11 Cu7 C121 -104.6(4) . . . . no
Cu8 Zn11 Cu7 C122 -131.8(5) . . . . no
Cu8 Zn11 Cu7 C123 -168.7(4) . . . . no
Cu8 Zn11 Cu7 C124 174.0(5) . . . . no
Cu8 Zn11 Cu7 C125 -126.0(10) . . . . no
Cu9 Zn11 Cu7 Zn10 -35.83(7) . . . . no
Cu9 Zn11 Cu7 C121 -175.2(4) . . . . no
Cu9 Zn11 Cu7 C122 157.6(5) . . . . no
Cu9 Zn11 Cu7 C123 120.7(4) . . . . no
Cu9 Zn11 Cu7 C124 103.4(5) . . . . no
Cu9 Zn11 Cu7 C125 163.4(10) . . . . no
Cu7 Zn11 Cu8 Zn10 -34.61(6) . . . . no
Cu7 Zn11 Cu8 C131 -174.3(4) . . . . no
Cu7 Zn11 Cu8 C132 160.1(3) . . . . no
Cu7 Zn11 Cu8 C133 122.8(3) . . . . no
Cu7 Zn11 Cu8 C134 104.5(5) . . . . no
Cu7 Zn11 Cu8 C135 161.5(9) . . . . no
Cu9 Zn11 Cu8 Zn10 35.70(6) . . . . no
Cu9 Zn11 Cu8 C131 -104.0(4) . . . . no
Cu9 Zn11 Cu8 C132 -129.6(3) . . . . no
Cu9 Zn11 Cu8 C133 -167.0(3) . . . . no
Cu9 Zn11 Cu8 C134 174.8(5) . . . . no
Cu9 Zn11 Cu8 C135 -128.2(9) . . . . no
Cu7 Zn11 Cu9 Zn10 35.19(6) . . . . no
Cu7 Zn11 Cu9 C141 -104.3(6) . . . . no
Cu7 Zn11 Cu9 C142 -109.3(3) . . . . no
Cu7 Zn11 Cu9 C143 -143.5(3) . . . . no
Cu7 Zn11 Cu9 C144 -177.6(3) . . . . no
Cu7 Zn11 Cu9 C145 175.0(6) . . . . no
Cu8 Zn11 Cu9 Zn10 -35.25(7) . . . . no
Cu8 Zn11 Cu9 C141 -174.7(6) . . . . no
Cu8 Zn11 Cu9 C142 -179.7(3) . . . . no
Cu8 Zn11 Cu9 C143 146.1(3) . . . . no
Cu8 Zn11 Cu9 C144 111.9(3) . . . . no
Cu8 Zn11 Cu9 C145 104.6(6) . . . . no
Zn10 Cu7 C121 C122 175.2(8) . . . . no
Zn10 Cu7 C121 C125 56.8(8) . . . . no
Zn10 Cu7 C121 C126 -64.5(18) . . . . no
Zn11 Cu7 C121 C122 -48.1(9) . . . . no
Zn11 Cu7 C121 C125 -166.5(7) . . . . no
Zn11 Cu7 C121 C126 72.3(17) . . . . no
C122 Cu7 C121 C125 -118.4(12) . . . . no
C122 Cu7 C121 C126 120(2) . . . . no
C123 Cu7 C121 C122 36.5(10) . . . . no
C123 Cu7 C121 C125 -81.9(9) . . . . no
C123 Cu7 C121 C126 156.9(19) . . . . no
C124 Cu7 C121 C122 78.7(10) . . . . no
C124 Cu7 C121 C125 -39.7(9) . . . . no
C124 Cu7 C121 C126 -161.0(19) . . . . no
C125 Cu7 C121 C122 118.4(12) . . . . no
C125 Cu7 C121 C126 -121(2) . . . . no
Zn10 Cu7 C122 C121 -10.1(17) . . . . no
Zn10 Cu7 C122 C123 108.7(13) . . . . no
Zn10 Cu7 C122 C127 -134.2(12) . . . . no
Zn11 Cu7 C122 C121 139.7(8) . . . . no
Zn11 Cu7 C122 C123 -101.6(9) . . . . no
Zn11 Cu7 C122 C127 15.6(15) . . . . no
C121 Cu7 C122 C123 118.7(13) . . . . no
C121 Cu7 C122 C127 -124(2) . . . . no
C123 Cu7 C122 C121 -118.7(13) . . . . no
C123 Cu7 C122 C127 117.2(19) . . . . no
C124 Cu7 C122 C121 -81.9(10) . . . . no
C124 Cu7 C122 C123 36.8(10) . . . . no
C124 Cu7 C122 C127 154.0(18) . . . . no
C125 Cu7 C122 C121 -37.8(8) . . . . no
C125 Cu7 C122 C123 81.0(10) . . . . no
C125 Cu7 C122 C127 -161.9(18) . . . . no
Zn10 Cu7 C123 C122 -136.9(8) . . . . no
Zn10 Cu7 C123 C124 -17.9(11) . . . . no
Zn10 Cu7 C123 C128 100.6(15) . . . . no
Zn11 Cu7 C123 C122 81.8(9) . . . . no
Zn11 Cu7 C123 C124 -159.2(7) . . . . no
Zn11 Cu7 C123 C128 -40.7(15) . . . . no
C121 Cu7 C123 C122 -37.1(9) . . . . no
C121 Cu7 C123 C124 81.9(9) . . . . no
C121 Cu7 C123 C128 -159.6(17) . . . . no
C122 Cu7 C123 C124 118.9(13) . . . . no
C122 Cu7 C123 C128 -122.5(19) . . . . no
C124 Cu7 C123 C122 -118.9(13) . . . . no
C124 Cu7 C123 C128 118.5(17) . . . . no
C125 Cu7 C123 C122 -80.6(9) . . . . no
C125 Cu7 C123 C124 38.3(8) . . . . no
C125 Cu7 C123 C128 156.9(16) . . . . no
Zn10 Cu7 C124 C123 168.9(7) . . . . no
Zn10 Cu7 C124 C125 -73.0(8) . . . . no
Zn10 Cu7 C124 C129 43.3(16) . . . . no
Zn11 Cu7 C124 C123 28.7(10) . . . . no
Zn11 Cu7 C124 C125 146.8(7) . . . . no
Zn11 Cu7 C124 C129 -96.9(16) . . . . no
C121 Cu7 C124 C123 -78.9(9) . . . . no
C121 Cu7 C124 C125 39.2(8) . . . . no
C121 Cu7 C124 C129 155.5(18) . . . . no
C122 Cu7 C124 C123 -36.5(8) . . . . no
C122 Cu7 C124 C125 81.6(9) . . . . no
C122 Cu7 C124 C129 -162.0(17) . . . . no
C123 Cu7 C124 C125 118.1(12) . . . . no
C123 Cu7 C124 C129 -125.6(19) . . . . no
C125 Cu7 C124 C123 -118.1(12) . . . . no
C125 Cu7 C124 C129 116(2) . . . . no
Zn10 Cu7 C125 C121 -131.6(7) . . . . no
Zn10 Cu7 C125 C124 113.5(8) . . . . no
Zn10 Cu7 C125 C130 -7.7(14) . . . . no
Zn11 Cu7 C125 C121 30.4(15) . . . . no
Zn11 Cu7 C125 C124 -84.5(13) . . . . no
Zn11 Cu7 C125 C130 154.4(10) . . . . no
C121 Cu7 C125 C124 -114.9(12) . . . . no
C121 Cu7 C125 C130 124.0(18) . . . . no
C122 Cu7 C125 C121 36.8(8) . . . . no
C122 Cu7 C125 C124 -78.1(10) . . . . no
C122 Cu7 C125 C130 160.7(17) . . . . no
C123 Cu7 C125 C121 78.3(9) . . . . no
C123 Cu7 C125 C124 -36.6(9) . . . . no
C123 Cu7 C125 C130 -157.8(16) . . . . no
C124 Cu7 C125 C121 114.9(12) . . . . no
C124 Cu7 C125 C130 -121.1(18) . . . . no
Zn10 Cu8 C131 C132 176.9(6) . . . . no
Zn10 Cu8 C131 C135 57.8(8) . . . . no
Zn10 Cu8 C131 C136 -69.0(14) . . . . no
Zn11 Cu8 C131 C132 -44.7(8) . . . . no
Zn11 Cu8 C131 C135 -163.9(7) . . . . no
Zn11 Cu8 C131 C136 69.4(14) . . . . no
C132 Cu8 C131 C135 -119.1(11) . . . . no
C132 Cu8 C131 C136 114.1(16) . . . . no
C133 Cu8 C131 C132 37.8(7) . . . . no
C133 Cu8 C131 C135 -81.4(8) . . . . no
C133 Cu8 C131 C136 151.9(15) . . . . no
C134 Cu8 C131 C132 82.0(8) . . . . no
C134 Cu8 C131 C135 -37.1(8) . . . . no
C134 Cu8 C131 C136 -163.9(16) . . . . no
C135 Cu8 C131 C132 119.1(11) . . . . no
C135 Cu8 C131 C136 -126.8(18) . . . . no
Zn10 Cu8 C132 C131 -5.8(11) . . . . no
Zn10 Cu8 C132 C133 110.7(8) . . . . no
Zn10 Cu8 C132 C137 -128.2(10) . . . . no
Zn11 Cu8 C132 C131 144.5(7) . . . . no
Zn11 Cu8 C132 C133 -99.0(7) . . . . no
Zn11 Cu8 C132 C137 22.1(11) . . . . no
C131 Cu8 C132 C133 116.5(11) . . . . no
C131 Cu8 C132 C137 -122.4(14) . . . . no
C133 Cu8 C132 C131 -116.5(11) . . . . no
C133 Cu8 C132 C137 121.1(15) . . . . no
C134 Cu8 C132 C131 -76.6(8) . . . . no
C134 Cu8 C132 C133 39.9(7) . . . . no
C134 Cu8 C132 C137 161.0(13) . . . . no
C135 Cu8 C132 C131 -34.9(7) . . . . no
C135 Cu8 C132 C133 81.6(8) . . . . no
C135 Cu8 C132 C137 -157.3(13) . . . . no
Zn10 Cu8 C133 C132 -131.1(7) . . . . no
Zn10 Cu8 C133 C134 -16.4(10) . . . . no
Zn10 Cu8 C133 C138 104.1(12) . . . . no
Zn11 Cu8 C133 C132 86.1(7) . . . . no
Zn11 Cu8 C133 C134 -159.2(6) . . . . no
Zn11 Cu8 C133 C138 -38.8(12) . . . . no
C131 Cu8 C133 C132 -38.2(8) . . . . no
C131 Cu8 C133 C134 76.5(8) . . . . no
C131 Cu8 C133 C138 -163.0(14) . . . . no
C132 Cu8 C133 C134 114.7(10) . . . . no
C132 Cu8 C133 C138 -124.8(15) . . . . no
C134 Cu8 C133 C132 -114.7(10) . . . . no
C134 Cu8 C133 C138 120.5(15) . . . . no
C135 Cu8 C133 C132 -78.0(8) . . . . no
C135 Cu8 C133 C134 36.7(7) . . . . no
C135 Cu8 C133 C138 157.2(13) . . . . no
Zn10 Cu8 C134 C133 169.9(6) . . . . no
Zn10 Cu8 C134 C135 -73.0(8) . . . . no
Zn10 Cu8 C134 C139 51.2(13) . . . . no
Zn11 Cu8 C134 C133 29.7(9) . . . . no
Zn11 Cu8 C134 C135 146.8(6) . . . . no
Zn11 Cu8 C134 C139 -89.0(13) . . . . no
C131 Cu8 C134 C133 -81.5(8) . . . . no
C131 Cu8 C134 C135 35.6(8) . . . . no
C131 Cu8 C134 C139 159.9(15) . . . . no
C132 Cu8 C134 C133 -38.4(7) . . . . no
C132 Cu8 C134 C135 78.7(8) . . . . no
C132 Cu8 C134 C139 -157.0(14) . . . . no
C133 Cu8 C134 C135 117.1(11) . . . . no
C133 Cu8 C134 C139 -118.6(15) . . . . no
C135 Cu8 C134 C133 -117.1(11) . . . . no
C135 Cu8 C134 C139 124.3(16) . . . . no
Zn10 Cu8 C135 C131 -129.0(8) . . . . no
Zn10 Cu8 C135 C134 112.6(7) . . . . no
Zn10 Cu8 C135 C140 -7.4(13) . . . . no
Zn11 Cu8 C135 C131 35.8(14) . . . . no
Zn11 Cu8 C135 C134 -82.6(12) . . . . no
Zn11 Cu8 C135 C140 157.5(9) . . . . no
C131 Cu8 C135 C134 -118.4(12) . . . . no
C131 Cu8 C135 C140 121.6(17) . . . . no
C132 Cu8 C135 C131 37.4(8) . . . . no
C132 Cu8 C135 C134 -81.0(8) . . . . no
C132 Cu8 C135 C140 159.0(15) . . . . no
C133 Cu8 C135 C131 79.7(8) . . . . no
C133 Cu8 C135 C134 -38.7(8) . . . . no
C133 Cu8 C135 C140 -158.7(15) . . . . no
C134 Cu8 C135 C131 118.4(12) . . . . no
C134 Cu8 C135 C140 -120.0(16) . . . . no
Zn10 Cu9 C141 C142 -149.6(6) . . . . no
Zn10 Cu9 C141 C145 93.5(6) . . . . no
Zn10 Cu9 C141 C146 -28.3(11) . . . . no
Zn11 Cu9 C141 C142 -7.5(9) . . . . no
Zn11 Cu9 C141 C145 -124.4(7) . . . . no
Zn11 Cu9 C141 C146 113.9(10) . . . . no
C142 Cu9 C141 C145 -116.9(9) . . . . no
C142 Cu9 C141 C146 121.3(13) . . . . no
C143 Cu9 C141 C142 37.5(6) . . . . no
C143 Cu9 C141 C145 -79.4(7) . . . . no
C143 Cu9 C141 C146 158.8(12) . . . . no
C144 Cu9 C141 C142 79.3(7) . . . . no
C144 Cu9 C141 C145 -37.6(6) . . . . no
C144 Cu9 C141 C146 -159.4(12) . . . . no
C145 Cu9 C141 C142 116.9(9) . . . . no
C145 Cu9 C141 C146 -121.8(13) . . . . no
Zn10 Cu9 C142 C141 38.3(7) . . . . no
Zn10 Cu9 C142 C143 155.7(5) . . . . no
Zn10 Cu9 C142 C147 -84.2(13) . . . . no
Zn11 Cu9 C142 C141 176.0(5) . . . . no
Zn11 Cu9 C142 C143 -66.6(6) . . . . no
Zn11 Cu9 C142 C147 53.6(13) . . . . no
C141 Cu9 C142 C143 117.4(9) . . . . no
C141 Cu9 C142 C147 -122.4(15) . . . . no
C143 Cu9 C142 C141 -117.4(9) . . . . no
C143 Cu9 C142 C147 120.2(15) . . . . no
C144 Cu9 C142 C141 -80.6(7) . . . . no
C144 Cu9 C142 C143 36.8(6) . . . . no
C144 Cu9 C142 C147 157.0(14) . . . . no
C145 Cu9 C142 C141 -38.2(6) . . . . no
C145 Cu9 C142 C143 79.2(7) . . . . no
C145 Cu9 C142 C147 -160.6(14) . . . . no
Zn10 Cu9 C143 C142 -55.1(10) . . . . no
Zn10 Cu9 C143 C144 62.9(10) . . . . no
Zn10 Cu9 C143 C148 -175.2(7) . . . . no
Zn11 Cu9 C143 C142 121.9(6) . . . . no
Zn11 Cu9 C143 C144 -120.1(6) . . . . no
Zn11 Cu9 C143 C148 1.8(11) . . . . no
C141 Cu9 C143 C142 -37.6(6) . . . . no
C141 Cu9 C143 C144 80.4(7) . . . . no
C141 Cu9 C143 C148 -157.7(12) . . . . no
C142 Cu9 C143 C144 118.0(9) . . . . no
C142 Cu9 C143 C148 -120.1(13) . . . . no
C144 Cu9 C143 C142 -118.0(9) . . . . no
C144 Cu9 C143 C148 121.9(13) . . . . no
C145 Cu9 C143 C142 -80.9(7) . . . . no
C145 Cu9 C143 C144 37.2(7) . . . . no
C145 Cu9 C143 C148 159.1(12) . . . . no
Zn10 Cu9 C144 C143 -152.4(5) . . . . no
Zn10 Cu9 C144 C145 -34.1(8) . . . . no
Zn10 Cu9 C144 C149 86.8(10) . . . . no
Zn11 Cu9 C144 C143 68.0(6) . . . . no
Zn11 Cu9 C144 C145 -173.7(6) . . . . no
Zn11 Cu9 C144 C149 -52.8(11) . . . . no
C141 Cu9 C144 C143 -80.0(7) . . . . no
C141 Cu9 C144 C145 38.4(6) . . . . no
C141 Cu9 C144 C149 159.3(12) . . . . no
C142 Cu9 C144 C143 -37.4(6) . . . . no
C142 Cu9 C144 C145 81.0(7) . . . . no
C142 Cu9 C144 C149 -158.1(12) . . . . no
C143 Cu9 C144 C145 118.3(9) . . . . no
C143 Cu9 C144 C149 -120.8(13) . . . . no
C145 Cu9 C144 C143 -118.3(9) . . . . no
C145 Cu9 C144 C149 120.9(13) . . . . no
Zn10 Cu9 C145 C141 -89.6(6) . . . . no
Zn10 Cu9 C145 C144 153.6(6) . . . . no
Zn10 Cu9 C145 C150 29.2(10) . . . . no
Zn11 Cu9 C145 C141 128.1(6) . . . . no
Zn11 Cu9 C145 C144 11.3(10) . . . . no
Zn11 Cu9 C145 C150 -113.1(10) . . . . no
C141 Cu9 C145 C144 -116.8(9) . . . . no
C141 Cu9 C145 C150 118.8(13) . . . . no
C142 Cu9 C145 C141 37.7(6) . . . . no
C142 Cu9 C145 C144 -79.1(7) . . . . no
C142 Cu9 C145 C150 156.5(11) . . . . no
C143 Cu9 C145 C141 80.1(7) . . . . no
C143 Cu9 C145 C144 -36.7(7) . . . . no
C143 Cu9 C145 C150 -161.1(12) . . . . no
C144 Cu9 C145 C141 116.8(9) . . . . no
C144 Cu9 C145 C150 -124.4(13) . . . . no
Cu3 Zn2 Cu1 C21 101.9(5) . . . . no
Cu3 Zn2 Cu1 C22 166.6(8) . . . . no
Cu3 Zn2 Cu1 C23 -176.1(3) . . . . no
Cu3 Zn2 Cu1 C24 156.8(3) . . . . no
Cu3 Zn2 Cu1 C25 118.3(3) . . . . no
Cu1 Zn2 Cu2 Zn3 -35.00(7) . . . . no
Cu1 Zn2 Cu2 C31 111.9(3) . . . . no
Cu1 Zn2 Cu2 C32 102.2(6) . . . . no
Cu1 Zn2 Cu2 C33 -179.3(6) . . . . no
Cu1 Zn2 Cu2 C34 -180.0(3) . . . . no
Cu1 Zn2 Cu2 C35 147.7(3) . . . . no
Cu3 Zn2 Cu2 Zn3 35.42(7) . . . . no
Cu3 Zn2 Cu2 C31 -177.7(3) . . . . no
Cu3 Zn2 Cu2 C32 172.6(6) . . . . no
Cu3 Zn2 Cu2 C33 -108.9(6) . . . . no
Cu3 Zn2 Cu2 C34 -109.6(3) . . . . no
Cu3 Zn2 Cu2 C35 -141.9(3) . . . . no
Cu1 Zn2 Cu3 Zn3 34.81(7) . . . . no
Cu1 Zn2 Cu3 C41 -167.5(3) . . . . no
Cu1 Zn2 Cu3 C42 171.8(4) . . . . no
Cu1 Zn2 Cu3 C43 -132.6(8) . . . . no
Cu1 Zn2 Cu3 C44 -105.5(4) . . . . no
Cu1 Zn2 Cu3 C45 -127.9(3) . . . . no
Cu2 Zn2 Cu3 Zn3 -35.93(7) . . . . no
Cu2 Zn2 Cu3 C41 121.7(3) . . . . no
Cu2 Zn2 Cu3 C42 101.1(4) . . . . no
Cu2 Zn2 Cu3 C43 156.7(8) . . . . no
Cu2 Zn2 Cu3 C44 -176.3(4) . . . . no
Cu2 Zn2 Cu3 C45 161.4(3) . . . . no
Cu2 Zn2 Cu1 C23 -105.8(3) . . . . no
Cu2 Zn2 Cu1 C24 -132.9(3) . . . . no
Cu2 Zn2 Cu1 C25 -171.4(3) . . . . no
Cu3 Zn2 Cu1 Zn3 -34.81(6) . . . . no
Cu2 Zn2 Cu1 C21 172.2(5) . . . . no
Cu2 Zn2 Cu1 C22 -123.1(8) . . . . no
Cu2 Zn2 Cu1 Zn3 35.49(6) . . . . no
Cu2 Zn3 Cu1 C24 118.1(6) . . . . no
Cu2 Zn3 Cu1 C25 -172.5(4) . . . . no
Cu3 Zn3 Cu1 C23 177.8(3) . . . . no
Cu3 Zn3 Cu1 C24 -172.0(6) . . . . no
Cu3 Zn3 Cu1 C25 -102.6(4) . . . . no
Cu1 Zn3 Cu2 Zn2 35.35(7) . . . . no
Cu3 Zn3 Cu1 Zn2 34.78(6) . . . . no
Cu3 Zn3 Cu1 C21 -116.1(3) . . . . no
Cu3 Zn3 Cu1 C22 -153.5(3) . . . . no
Cu1 Zn3 Cu2 C34 175.9(3) . . . . no
Cu1 Zn3 Cu2 C35 -151.4(7) . . . . no
Cu3 Zn3 Cu2 Zn2 -35.63(7) . . . . no
Cu3 Zn3 Cu2 C31 -173.5(4) . . . . no
Cu3 Zn3 Cu2 C32 166.6(3) . . . . no
Cu3 Zn3 Cu2 C33 128.5(3) . . . . no
Cu3 Zn3 Cu2 C34 104.9(3) . . . . no
Cu3 Zn3 Cu2 C35 137.6(7) . . . . no
Cu1 Zn3 Cu3 Zn2 -35.00(7) . . . . no
Cu1 Zn3 Cu3 C41 -174.1(5) . . . . no
Cu1 Zn3 Cu3 C42 176.0(3) . . . . no
Cu1 Zn3 Cu3 C43 140.1(3) . . . . no
Cu1 Zn3 Cu2 C31 -102.5(4) . . . . no
Cu1 Zn3 Cu2 C32 -122.5(3) . . . . no
Cu1 Zn3 Cu2 C33 -160.5(3) . . . . no
Cu2 Zn3 Cu1 Zn2 -35.13(6) . . . . no
Cu2 Zn3 Cu1 C21 174.0(3) . . . . no
Cu2 Zn3 Cu1 C22 136.6(3) . . . . no
Cu2 Zn3 Cu1 C23 107.9(3) . . . . no
Cu2 Zn3 Cu3 C45 -179.8(6) . . . . no
Cu2 Zn3 Cu3 C44 -178.8(3) . . . . no
Cu2 Zn3 Cu3 Zn2 35.64(7) . . . . no
Cu1 Zn3 Cu3 C44 110.5(3) . . . . no
Cu1 Zn3 Cu3 C45 109.6(6) . . . . no
Cu2 Zn3 Cu3 C43 -149.2(3) . . . . no
Cu2 Zn3 Cu3 C41 -103.4(5) . . . . no
Cu2 Zn3 Cu3 C42 -113.3(3) . . . . no
Zn2 Cu1 C21 C25 27.1(8) . . . . no
C23 Cu1 C21 C22 37.5(6) . . . . no
Zn2 Cu1 C21 C26 -96.5(12) . . . . no
Zn3 Cu1 C21 C22 -76.4(6) . . . . no
Zn3 Cu1 C21 C25 165.5(6) . . . . no
Zn3 Cu1 C21 C26 42.0(12) . . . . no
C22 Cu1 C21 C25 -118.1(9) . . . . no
C22 Cu1 C21 C26 118.4(14) . . . . no
Zn2 Cu1 C21 C22 145.2(6) . . . . no
Zn2 Cu1 C22 C21 -91.3(10) . . . . no
Zn2 Cu1 C22 C23 25.0(12) . . . . no
Zn2 Cu1 C22 C27 145.1(8) . . . . no
Zn3 Cu1 C22 C21 108.8(6) . . . . no
Zn3 Cu1 C22 C23 -134.9(6) . . . . no
Zn3 Cu1 C22 C27 -14.8(11) . . . . no
C21 Cu1 C22 C23 116.2(9) . . . . no
C21 Cu1 C22 C27 -123.6(14) . . . . no
C23 Cu1 C21 C25 -80.7(7) . . . . no
C23 Cu1 C21 C26 155.8(13) . . . . no
C24 Cu1 C21 C22 79.2(7) . . . . no
C24 Cu1 C21 C25 -38.9(6) . . . . no
C24 Cu1 C21 C26 -162.5(13) . . . . no
C25 Cu1 C21 C22 118.1(9) . . . . no
C25 Cu1 C21 C26 -123.5(15) . . . . no
C25 Cu1 C22 C27 -160.4(12) . . . . no
Zn2 Cu1 C23 C22 -168.8(5) . . . . no
Zn2 Cu1 C23 C24 -49.0(6) . . . . no
Zn2 Cu1 C23 C28 73.8(12) . . . . no
Zn3 Cu1 C23 C22 52.7(7) . . . . no
Zn3 Cu1 C23 C24 172.5(5) . . . . no
Zn3 Cu1 C23 C28 -64.8(12) . . . . no
C21 Cu1 C23 C22 -39.0(7) . . . . no
C21 Cu1 C23 C24 80.8(7) . . . . no
C21 Cu1 C23 C28 -156.4(13) . . . . no
C22 Cu1 C23 C24 119.8(9) . . . . no
C22 Cu1 C23 C28 -117.4(14) . . . . no
C24 Cu1 C23 C22 -119.8(9) . . . . no
C24 Cu1 C23 C28 122.8(14) . . . . no
C25 Cu1 C23 C22 -81.3(7) . . . . no
C25 Cu1 C23 C24 38.5(6) . . . . no
C25 Cu1 C23 C28 161.3(13) . . . . no
Zn2 Cu1 C24 C23 139.7(5) . . . . no
Zn2 Cu1 C24 C25 -103.1(6) . . . . no
Zn2 Cu1 C24 C29 17.2(12) . . . . no
Zn3 Cu1 C24 C23 -15.2(10) . . . . no
Zn3 Cu1 C24 C25 102.1(8) . . . . no
Zn3 Cu1 C24 C29 -137.7(11) . . . . no
C21 Cu1 C24 C23 -79.6(7) . . . . no
C23 Cu1 C22 C21 -116.2(9) . . . . no
C23 Cu1 C22 C27 120.1(14) . . . . no
C24 Cu1 C22 C21 -80.3(7) . . . . no
C24 Cu1 C22 C23 35.9(6) . . . . no
C24 Cu1 C22 C27 156.1(12) . . . . no
C25 Cu1 C22 C21 -36.8(7) . . . . no
C25 Cu1 C22 C23 79.5(7) . . . . no
C25 Cu1 C24 C29 120.3(15) . . . . no
Zn2 Cu1 C25 C21 -161.3(6) . . . . no
Zn2 Cu1 C25 C24 82.4(6) . . . . no
Zn2 Cu1 C25 C30 -31.5(13) . . . . no
Zn3 Cu1 C25 C21 -21.9(8) . . . . no
Zn3 Cu1 C25 C24 -138.2(5) . . . . no
Zn3 Cu1 C25 C30 107.9(13) . . . . no
C21 Cu1 C25 C24 -116.3(9) . . . . no
C21 Cu1 C25 C30 129.8(15) . . . . no
C22 Cu1 C25 C21 37.8(7) . . . . no
C22 Cu1 C25 C24 -78.5(7) . . . . no
C22 Cu1 C25 C30 167.6(14) . . . . no
C23 Cu1 C25 C21 79.4(7) . . . . no
C23 Cu1 C25 C24 -36.8(6) . . . . no
C23 Cu1 C25 C30 -150.7(14) . . . . no
C24 Cu1 C25 C21 116.3(9) . . . . no
C24 Cu1 C25 C30 -113.9(15) . . . . no
C23 Cu1 C24 C29 -122.5(14) . . . . no
C25 Cu1 C24 C23 -117.3(9) . . . . no
C21 Cu1 C24 C25 37.7(7) . . . . no
C21 Cu1 C24 C29 158.0(13) . . . . no
C22 Cu1 C24 C23 -36.0(6) . . . . no
C22 Cu1 C24 C25 81.2(7) . . . . no
C22 Cu1 C24 C29 -158.5(13) . . . . no
C23 Cu1 C24 C25 117.3(9) . . . . no
C33 Cu2 C31 C32 37.9(7) . . . . no
Zn2 Cu2 C31 C36 -47.2(11) . . . . no
Zn3 Cu2 C31 C32 -33.4(8) . . . . no
Zn3 Cu2 C31 C35 -151.5(5) . . . . no
Zn3 Cu2 C31 C36 90.7(11) . . . . no
C32 Cu2 C31 C35 -118.1(10) . . . . no
C32 Cu2 C31 C36 124.1(13) . . . . no
Zn2 Cu2 C31 C32 -171.3(6) . . . . no
Zn2 Cu2 C31 C35 70.6(7) . . . . no
Zn2 Cu2 C32 C33 131.8(7) . . . . no
Zn2 Cu2 C32 C37 -105.9(11) . . . . no
Zn3 Cu2 C32 C31 154.8(6) . . . . no
Zn3 Cu2 C32 C33 -88.4(7) . . . . no
Zn3 Cu2 C32 C37 34.0(11) . . . . no
C31 Cu2 C32 C33 116.9(10) . . . . no
C31 Cu2 C32 C37 -120.8(14) . . . . no
C33 Cu2 C32 C31 -116.9(10) . . . . no
C33 Cu2 C32 C37 122.3(15) . . . . no
C34 Cu2 C32 C31 -79.4(7) . . . . no
C34 Cu2 C32 C33 37.5(7) . . . . no
C34 Cu2 C32 C37 159.8(13) . . . . no
C35 Cu2 C32 C31 -37.4(7) . . . . no
C35 Cu2 C32 C33 79.5(8) . . . . no
C35 Cu2 C32 C37 -158.2(13) . . . . no
Zn2 Cu2 C33 C32 -118.4(7) . . . . no
Zn2 Cu2 C33 C34 -1.0(10) . . . . no
Zn2 Cu2 C33 C38 123.3(9) . . . . no
Zn3 Cu2 C33 C32 95.1(7) . . . . no
Zn3 Cu2 C33 C34 -147.5(6) . . . . no
Zn3 Cu2 C33 C38 -23.2(10) . . . . no
C31 Cu2 C33 C32 -38.0(7) . . . . no
C31 Cu2 C33 C34 79.5(7) . . . . no
C33 Cu2 C31 C35 -80.2(7) . . . . no
C33 Cu2 C31 C36 162.1(12) . . . . no
C34 Cu2 C31 C32 80.5(7) . . . . no
C34 Cu2 C31 C35 -37.6(7) . . . . no
C34 Cu2 C31 C36 -155.4(12) . . . . no
C35 Cu2 C31 C32 118.1(10) . . . . no
C35 Cu2 C31 C36 -117.8(13) . . . . no
Zn2 Cu2 C32 C31 14.9(10) . . . . no
Zn2 Cu2 C34 C33 179.5(5) . . . . no
Zn2 Cu2 C34 C35 -61.6(6) . . . . no
Zn2 Cu2 C34 C39 55.2(12) . . . . no
Zn3 Cu2 C34 C33 40.7(7) . . . . no
Zn3 Cu2 C34 C35 159.6(5) . . . . no
Zn3 Cu2 C34 C39 -83.7(12) . . . . no
C31 Cu2 C34 C33 -80.5(7) . . . . no
C31 Cu2 C34 C35 38.4(6) . . . . no
C31 Cu2 C34 C39 155.2(13) . . . . no
C32 Cu2 C34 C33 -37.7(7) . . . . no
C32 Cu2 C34 C35 81.3(7) . . . . no
C32 Cu2 C34 C39 -162.0(13) . . . . no
C33 Cu2 C34 C35 118.9(9) . . . . no
C33 Cu2 C34 C39 -124.3(14) . . . . no
C35 Cu2 C34 C33 -118.9(9) . . . . no
C35 Cu2 C34 C39 116.8(14) . . . . no
Zn2 Cu2 C35 C31 -116.8(6) . . . . no
Zn2 Cu2 C35 C34 126.6(6) . . . . no
Zn2 Cu2 C35 C40 2.7(10) . . . . no
Zn3 Cu2 C35 C31 69.6(10) . . . . no
Zn3 Cu2 C35 C34 -47.1(11) . . . . no
Zn3 Cu2 C35 C40 -171.0(6) . . . . no
C31 Cu2 C35 C34 -116.7(9) . . . . no
C31 Cu2 C35 C40 119.4(13) . . . . no
C32 Cu2 C35 C31 37.2(7) . . . . no
C32 Cu2 C35 C34 -79.4(7) . . . . no
C32 Cu2 C35 C40 156.7(11) . . . . no
C33 Cu2 C35 C31 79.8(7) . . . . no
C33 Cu2 C35 C34 -36.9(6) . . . . no
C33 Cu2 C35 C40 -160.8(11) . . . . no
C34 Cu2 C35 C31 116.7(9) . . . . no
C34 Cu2 C35 C40 -123.9(13) . . . . no
C35 Cu2 C33 C38 160.8(11) . . . . no
C31 Cu2 C33 C38 -156.2(11) . . . . no
C32 Cu2 C33 C34 117.4(10) . . . . no
C32 Cu2 C33 C38 -118.3(13) . . . . no
C34 Cu2 C33 C32 -117.4(10) . . . . no
C34 Cu2 C33 C38 124.3(12) . . . . no
C35 Cu2 C33 C32 -80.9(8) . . . . no
C35 Cu2 C33 C34 36.5(6) . . . . no
Zn2 Cu3 C41 C45 89.7(6) . . . . no
Zn2 Cu3 C41 C46 -31.8(10) . . . . no
Zn3 Cu3 C41 C42 -14.9(8) . . . . no
Zn3 Cu3 C41 C45 -128.7(6) . . . . no
Zn3 Cu3 C41 C46 109.8(10) . . . . no
C42 Cu3 C41 C45 -113.8(9) . . . . no
C42 Cu3 C41 C46 124.7(13) . . . . no
Zn2 Cu3 C41 C42 -156.5(5) . . . . no
Zn2 Cu3 C42 C41 32.9(7) . . . . no
Zn2 Cu3 C42 C43 148.3(5) . . . . no
Zn2 Cu3 C42 C47 -90.2(13) . . . . no
Zn3 Cu3 C42 C41 171.2(5) . . . . no
Zn3 Cu3 C42 C43 -73.4(6) . . . . no
Zn3 Cu3 C42 C47 48.1(13) . . . . no
C41 Cu3 C42 C43 115.4(9) . . . . no
C43 Cu3 C41 C42 37.9(6) . . . . no
C43 Cu3 C41 C45 -75.9(7) . . . . no
C43 Cu3 C41 C46 162.6(12) . . . . no
C44 Cu3 C41 C42 77.5(6) . . . . no
C44 Cu3 C41 C45 -36.3(6) . . . . no
C44 Cu3 C41 C46 -157.8(12) . . . . no
C45 Cu3 C41 C42 113.8(9) . . . . no
C45 Cu3 C41 C46 -121.5(13) . . . . no
C45 Cu3 C42 C43 75.4(7) . . . . no
C45 Cu3 C42 C47 -163.1(14) . . . . no
Zn2 Cu3 C43 C42 -79.4(10) . . . . no
Zn2 Cu3 C43 C44 40.0(12) . . . . no
Zn2 Cu3 C43 C48 164.1(8) . . . . no
Zn3 Cu3 C43 C42 112.5(6) . . . . no
Zn3 Cu3 C43 C44 -128.2(7) . . . . no
Zn3 Cu3 C43 C48 -4.1(11) . . . . no
C41 Cu3 C43 C42 -40.2(7) . . . . no
C41 Cu3 C43 C44 79.1(7) . . . . no
C41 Cu3 C43 C48 -156.8(12) . . . . no
C42 Cu3 C43 C44 119.3(10) . . . . no
C42 Cu3 C43 C48 -116.6(14) . . . . no
C44 Cu3 C43 C42 -119.3(10) . . . . no
C44 Cu3 C43 C48 124.1(14) . . . . no
C45 Cu3 C43 C42 -84.7(7) . . . . no
C45 Cu3 C43 C44 34.7(7) . . . . no
C45 Cu3 C43 C48 158.7(12) . . . . no
Zn2 Cu3 C44 C43 -162.1(6) . . . . no
Zn2 Cu3 C44 C45 -40.0(8) . . . . no
Zn2 Cu3 C44 C49 77.9(10) . . . . no
Zn3 Cu3 C44 C43 58.7(7) . . . . no
Zn3 Cu3 C44 C45 -179.2(6) . . . . no
Zn3 Cu3 C44 C49 -61.3(10) . . . . no
C41 Cu3 C44 C43 -82.6(8) . . . . no
C41 Cu3 C44 C45 39.6(7) . . . . no
C41 Cu3 C44 C49 157.4(12) . . . . no
C42 Cu3 C44 C43 -37.2(7) . . . . no
C42 Cu3 C44 C45 85.0(8) . . . . no
C42 Cu3 C44 C49 -157.2(12) . . . . no
C43 Cu3 C44 C45 122.2(10) . . . . no
C43 Cu3 C44 C49 -120.0(13) . . . . no
C45 Cu3 C44 C43 -122.2(10) . . . . no
C45 Cu3 C44 C49 117.9(13) . . . . no
Zn2 Cu3 C45 C41 -95.0(6) . . . . no
Zn2 Cu3 C45 C44 148.3(6) . . . . no
Zn2 Cu3 C45 C50 21.5(10) . . . . no
Zn3 Cu3 C45 C41 118.2(7) . . . . no
Zn3 Cu3 C45 C44 1.5(11) . . . . no
Zn3 Cu3 C45 C50 -125.2(9) . . . . no
C41 Cu3 C45 C44 -116.7(10) . . . . no
C41 Cu3 C45 C50 116.5(13) . . . . no
C42 Cu3 C45 C41 40.6(6) . . . . no
C42 Cu3 C45 C44 -76.1(7) . . . . no
C42 Cu3 C45 C50 157.1(12) . . . . no
C43 Cu3 C45 C41 82.9(7) . . . . no
C43 Cu3 C45 C44 -33.8(7) . . . . no
C43 Cu3 C45 C50 -160.6(12) . . . . no
C44 Cu3 C45 C41 116.7(10) . . . . no
C44 Cu3 C45 C50 -126.8(13) . . . . no
C41 Cu3 C42 C47 -123.1(15) . . . . no
C43 Cu3 C42 C41 -115.4(9) . . . . no
C43 Cu3 C42 C47 121.5(15) . . . . no
C44 Cu3 C42 C41 -80.6(6) . . . . no
C44 Cu3 C42 C43 34.9(6) . . . . no
C44 Cu3 C42 C47 156.4(14) . . . . no
C45 Cu3 C42 C41 -40.0(6) . . . . no
Cu6 Zn6 Cu4 C73 172.7(6) . . . . no
Cu6 Zn6 Cu4 C74 -105.6(6) . . . . no
Cu6 Zn6 Cu4 C75 -111.4(2) . . . . no
Cu4 Zn6 Cu5 Zn7 35.71(6) . . . . no
Cu4 Zn6 Cu5 C81 -111.9(7) . . . . no
Cu4 Zn6 Cu5 C82 -108.5(4) . . . . no
Cu4 Zn6 Cu5 C83 -137.3(4) . . . . no
Cu6 Zn6 Cu5 C85 103.0(7) . . . . no
Cu4 Zn6 Cu6 Zn7 -34.67(6) . . . . no
Cu4 Zn6 Cu6 C91 101.9(4) . . . . no
Cu4 Zn6 Cu6 C92 149.4(10) . . . . no
Cu4 Zn6 Cu6 C93 -175.2(4) . . . . no
Cu4 Zn6 Cu6 C94 162.0(3) . . . . no
Cu4 Zn6 Cu6 C95 123.8(3) . . . . no
Cu5 Zn6 Cu6 Zn7 35.48(6) . . . . no
Cu5 Zn6 Cu6 C91 172.0(4) . . . . no
Cu5 Zn6 Cu6 C92 -140.4(10) . . . . no
Cu5 Zn6 Cu6 C93 -105.0(4) . . . . no
Cu5 Zn6 Cu6 C94 -127.8(3) . . . . no
Cu5 Zn6 Cu6 C95 -166.0(3) . . . . no
Cu5 Zn6 Cu4 C73 102.5(6) . . . . no
Cu5 Zn6 Cu4 C74 -175.7(6) . . . . no
Cu5 Zn6 Cu4 C75 178.4(2) . . . . no
Cu6 Zn6 Cu4 Zn7 34.55(6) . . . . no
Cu6 Zn6 Cu4 C71 -146.7(3) . . . . no
Cu6 Zn6 Cu4 C72 179.2(3) . . . . no
Cu4 Zn6 Cu5 C85 174.2(7) . . . . no
Cu6 Zn6 Cu5 Zn7 -35.48(6) . . . . no
Cu6 Zn6 Cu5 C81 176.9(7) . . . . no
Cu6 Zn6 Cu5 C82 -179.7(4) . . . . no
Cu6 Zn6 Cu5 C83 151.5(4) . . . . no
Cu6 Zn6 Cu5 C84 113.2(3) . . . . no
Cu4 Zn6 Cu5 C84 -175.7(3) . . . . no
Cu5 Zn6 Cu4 C72 109.1(3) . . . . no
Cu5 Zn6 Cu4 Zn7 -35.58(6) . . . . no
Cu5 Zn6 Cu4 C71 143.2(3) . . . . no
Cu6 Zn7 Cu4 Zn6 -34.73(6) . . . . no
Cu6 Zn7 Cu4 C74 126.7(3) . . . . no
Cu6 Zn7 Cu4 C75 105.2(3) . . . . no
Cu6 Zn7 Cu5 C81 -159.1(4) . . . . no
Cu6 Zn7 Cu5 C82 177.2(4) . . . . no
Cu6 Zn7 Cu4 C71 148.2(7) . . . . no
Cu6 Zn7 Cu4 C72 -173.9(3) . . . . no
Cu6 Zn7 Cu4 C73 165.0(3) . . . . no
Cu4 Zn7 Cu6 Zn6 34.46(6) . . . . no
Cu4 Zn7 Cu6 C91 -110.7(4) . . . . no
Cu4 Zn7 Cu6 C92 -147.1(4) . . . . no
Cu4 Zn7 Cu6 C93 -179.6(3) . . . . no
Cu6 Zn7 Cu5 C83 -161.3(9) . . . . no
Cu6 Zn7 Cu5 C84 -102.0(4) . . . . no
Cu6 Zn7 Cu5 C85 -121.3(4) . . . . no
Cu5 Zn7 Cu4 Zn6 35.86(7) . . . . no
Cu5 Zn7 Cu4 C71 -141.2(7) . . . . no
Cu5 Zn7 Cu4 C72 -103.3(3) . . . . no
Cu5 Zn7 Cu4 C73 -124.4(3) . . . . no
Cu5 Zn7 Cu4 C74 -162.8(3) . . . . no
Cu5 Zn7 Cu4 C75 175.8(3) . . . . no
Cu5 Zn7 Cu6 C95 -174.9(6) . . . . no
Cu4 Zn7 Cu5 C82 106.3(4) . . . . no
Cu4 Zn7 Cu5 C83 127.8(9) . . . . no
Cu4 Zn7 Cu5 C84 -172.9(5) . . . . no
Cu4 Zn7 Cu5 C85 167.8(4) . . . . no
Cu6 Zn7 Cu5 Zn6 35.48(7) . . . . no
Cu4 Zn7 Cu5 Zn6 -35.44(6) . . . . no
Cu4 Zn7 Cu5 C81 130.0(4) . . . . no
Cu5 Zn7 Cu6 Zn6 -35.63(6) . . . . no
Cu4 Zn7 Cu6 C94 -180.0(6) . . . . no
Cu4 Zn7 Cu6 C95 -104.8(6) . . . . no
Cu5 Zn7 Cu6 C94 109.9(6) . . . . no
Cu5 Zn7 Cu6 C91 179.2(4) . . . . no
Cu5 Zn7 Cu6 C93 110.4(3) . . . . no
Cu5 Zn7 Cu6 C92 142.8(4) . . . . no
Zn6 Cu4 C71 C75 120.9(5) . . . . no
Zn7 Cu4 C71 C72 55.1(10) . . . . no
Zn6 Cu4 C71 C76 1.9(11) . . . . no
Zn7 Cu4 C71 C76 179.1(8) . . . . no
C72 Cu4 C71 C75 -117.0(9) . . . . no
Zn7 Cu4 C71 C75 -61.9(10) . . . . no
Zn7 Cu4 C72 C73 -36.4(7) . . . . no
Zn7 Cu4 C72 C77 84.4(12) . . . . no
C75 Cu4 C71 C76 -119.0(14) . . . . no
Zn6 Cu4 C72 C71 66.3(6) . . . . no
Zn6 Cu4 C72 C73 -174.6(5) . . . . no
Zn6 Cu4 C72 C77 -53.7(12) . . . . no
Zn7 Cu4 C72 C71 -155.6(5) . . . . no
C74 Cu4 C71 C75 -37.8(6) . . . . no
C74 Cu4 C71 C76 -156.8(13) . . . . no
C75 Cu4 C71 C72 117.0(9) . . . . no
C75 Cu4 C72 C73 80.9(7) . . . . no
C75 Cu4 C72 C77 -158.3(13) . . . . no
Zn6 Cu4 C73 C72 10.0(10) . . . . no
Zn6 Cu4 C73 C74 127.5(6) . . . . no
Zn6 Cu4 C73 C78 -113.3(9) . . . . no
Zn7 Cu4 C73 C72 151.0(6) . . . . no
Zn7 Cu4 C73 C74 -91.6(6) . . . . no
Zn7 Cu4 C73 C78 27.6(9) . . . . no
C71 Cu4 C73 C72 -36.7(6) . . . . no
C71 Cu4 C73 C74 80.8(7) . . . . no
C71 Cu4 C73 C78 -160.0(11) . . . . no
C72 Cu4 C73 C74 117.5(9) . . . . no
C72 Cu4 C73 C78 -123.3(12) . . . . no
C74 Cu4 C73 C72 -117.5(9) . . . . no
C74 Cu4 C73 C78 119.2(13) . . . . no
C75 Cu4 C73 C72 -79.8(6) . . . . no
C75 Cu4 C73 C74 37.6(6) . . . . no
C75 Cu4 C73 C78 156.8(11) . . . . no
Zn6 Cu4 C74 C73 -126.3(7) . . . . no
Zn6 Cu4 C74 C75 -8.8(10) . . . . no
Zn6 Cu4 C74 C79 112.0(11) . . . . no
Zn7 Cu4 C74 C73 91.0(6) . . . . no
Zn7 Cu4 C74 C75 -151.6(5) . . . . no
C71 Cu4 C72 C73 119.2(9) . . . . no
C71 Cu4 C72 C77 -120.0(14) . . . . no
C73 Cu4 C72 C71 -119.2(9) . . . . no
C73 Cu4 C72 C77 120.8(14) . . . . no
C74 Cu4 C72 C71 -81.2(7) . . . . no
C74 Cu4 C72 C73 38.0(6) . . . . no
C74 Cu4 C72 C77 158.9(13) . . . . no
C75 Cu4 C72 C71 -38.3(6) . . . . no
Zn6 Cu4 C71 C72 -122.1(6) . . . . no
C75 Cu4 C74 C79 120.8(13) . . . . no
Zn6 Cu4 C75 C71 -67.7(6) . . . . no
Zn6 Cu4 C75 C74 175.3(5) . . . . no
Zn6 Cu4 C75 C80 51.7(10) . . . . no
Zn7 Cu4 C75 C71 153.2(5) . . . . no
Zn7 Cu4 C75 C74 36.2(6) . . . . no
Zn7 Cu4 C75 C80 -87.4(10) . . . . no
C71 Cu4 C75 C74 -117.1(8) . . . . no
C71 Cu4 C75 C80 119.3(12) . . . . no
C72 Cu4 C75 C71 37.5(6) . . . . no
C72 Cu4 C75 C74 -79.5(6) . . . . no
C72 Cu4 C75 C80 156.9(11) . . . . no
C73 Cu4 C75 C71 79.3(6) . . . . no
C73 Cu4 C75 C74 -37.8(6) . . . . no
C73 Cu4 C75 C80 -161.4(11) . . . . no
C74 Cu4 C75 C71 117.1(8) . . . . no
C74 Cu4 C75 C80 -123.6(12) . . . . no
C73 Cu4 C74 C79 -121.7(14) . . . . no
C75 Cu4 C74 C73 -117.4(9) . . . . no
C71 Cu4 C74 C75 38.1(5) . . . . no
C71 Cu4 C74 C79 158.9(13) . . . . no
C72 Cu4 C74 C73 -37.0(6) . . . . no
C72 Cu4 C74 C75 80.4(6) . . . . no
C72 Cu4 C74 C79 -158.7(13) . . . . no
Zn7 Cu4 C74 C79 -30.7(11) . . . . no
C71 Cu4 C74 C73 -79.3(7) . . . . no
C73 Cu4 C71 C75 -80.7(6) . . . . no
C72 Cu4 C71 C76 124.0(14) . . . . no
C73 Cu4 C71 C72 36.3(6) . . . . no
C74 Cu4 C71 C72 79.2(7) . . . . no
C73 Cu4 C71 C76 160.3(12) . . . . no
C73 Cu4 C74 C75 117.4(9) . . . . no
Zn6 Cu5 C81 C86 127.8(11) . . . . no
Zn6 Cu5 C81 C85 -112.5(9) . . . . no
Zn7 Cu5 C81 C82 -144.4(7) . . . . no
Zn6 Cu5 C81 C82 5.2(12) . . . . no
Zn7 Cu5 C81 C86 -21.8(13) . . . . no
C82 Cu5 C81 C85 -117.6(11) . . . . no
Zn7 Cu5 C81 C85 98.0(8) . . . . no
C81 Cu5 C82 C83 121.2(11) . . . . no
C81 Cu5 C82 C87 -119.8(18) . . . . no
Zn6 Cu5 C82 C83 -56.1(8) . . . . no
Zn6 Cu5 C82 C87 63.0(15) . . . . no
Zn7 Cu5 C82 C81 43.5(8) . . . . no
Zn7 Cu5 C82 C83 164.7(7) . . . . no
Zn7 Cu5 C82 C87 -76.3(15) . . . . no
C85 Cu5 C82 C81 -38.1(8) . . . . no
C85 Cu5 C82 C83 83.1(9) . . . . no
C85 Cu5 C82 C87 -157.9(17) . . . . no
Zn6 Cu5 C83 C82 131.9(7) . . . . no
Zn6 Cu5 C83 C84 -111.2(7) . . . . no
Zn6 Cu5 C83 C88 9.2(14) . . . . no
Zn7 Cu5 C83 C82 -32.3(14) . . . . no
Zn7 Cu5 C83 C84 84.6(11) . . . . no
Zn7 Cu5 C83 C88 -155.0(10) . . . . no
C82 Cu5 C81 C86 122.6(16) . . . . no
C83 Cu5 C81 C82 34.6(8) . . . . no
C83 Cu5 C81 C85 -83.1(9) . . . . no
C83 Cu5 C81 C86 157.2(15) . . . . no
C84 Cu5 C81 C82 79.6(8) . . . . no
C84 Cu5 C81 C85 -38.0(8) . . . . no
C84 Cu5 C81 C86 -157.8(15) . . . . no
C85 Cu5 C81 C82 117.6(11) . . . . no
C85 Cu5 C81 C86 -119.8(17) . . . . no
Zn6 Cu5 C82 C81 -177.3(6) . . . . no
Zn6 Cu5 C84 C83 76.1(7) . . . . no
Zn6 Cu5 C84 C85 -170.3(7) . . . . no
Zn6 Cu5 C84 C89 -39.6(13) . . . . no
Zn7 Cu5 C84 C83 -145.7(6) . . . . no
Zn7 Cu5 C84 C85 -32.1(9) . . . . no
Zn7 Cu5 C84 C89 98.7(13) . . . . no
C81 Cu5 C84 C83 -75.9(8) . . . . no
C83 Cu5 C82 C81 -121.2(11) . . . . no
C83 Cu5 C82 C87 119.1(18) . . . . no
C84 Cu5 C82 C81 -81.4(8) . . . . no
C84 Cu5 C82 C83 39.8(8) . . . . no
C84 Cu5 C82 C87 158.9(17) . . . . no
C83 Cu5 C84 C89 -115.7(16) . . . . no
C85 Cu5 C84 C83 -113.6(11) . . . . no
C85 Cu5 C84 C89 130.7(16) . . . . no
Zn6 Cu5 C85 C81 132.8(7) . . . . no
Zn6 Cu5 C85 C84 15.9(12) . . . . no
Zn6 Cu5 C85 C90 -106.3(13) . . . . no
Zn7 Cu5 C85 C81 -86.4(8) . . . . no
Zn7 Cu5 C85 C84 156.7(7) . . . . no
Zn7 Cu5 C85 C90 34.5(13) . . . . no
C81 Cu5 C85 C84 -116.9(11) . . . . no
C81 Cu5 C85 C90 120.9(16) . . . . no
C82 Cu5 C85 C81 36.0(8) . . . . no
C82 Cu5 C85 C84 -80.9(8) . . . . no
C82 Cu5 C85 C90 156.9(15) . . . . no
C83 Cu5 C85 C81 76.1(9) . . . . no
C83 Cu5 C85 C84 -40.8(8) . . . . no
C83 Cu5 C85 C90 -163.0(15) . . . . no
C84 Cu5 C85 C81 116.9(11) . . . . no
C84 Cu5 C85 C90 -122.2(16) . . . . no
C85 Cu5 C83 C88 159.6(16) . . . . no
C81 Cu5 C83 C84 82.1(8) . . . . no
C81 Cu5 C84 C85 37.7(8) . . . . no
C81 Cu5 C84 C89 168.5(15) . . . . no
C82 Cu5 C84 C83 -35.6(8) . . . . no
C82 Cu5 C84 C85 78.0(9) . . . . no
C82 Cu5 C84 C89 -151.3(15) . . . . no
C81 Cu5 C83 C82 -34.8(8) . . . . no
C85 Cu5 C83 C84 39.2(8) . . . . no
C82 Cu5 C83 C88 -122.7(17) . . . . no
C81 Cu5 C83 C88 -157.6(16) . . . . no
C82 Cu5 C83 C84 116.9(11) . . . . no
C85 Cu5 C83 C82 -77.7(9) . . . . no
C84 Cu5 C83 C82 -116.9(11) . . . . no
C83 Cu5 C84 C85 113.6(11) . . . . no
C84 Cu5 C83 C88 120.4(17) . . . . no
Zn6 Cu6 C92 C91 -66.0(13) . . . . no
Zn7 Cu6 C91 C92 -69.2(7) . . . . no
Zn6 Cu6 C91 C96 -88.9(13) . . . . no
Zn7 Cu6 C91 C96 47.8(13) . . . . no
C92 Cu6 C91 C95 -116.2(10) . . . . no
Zn7 Cu6 C91 C95 174.5(6) . . . . no
Zn6 Cu6 C91 C95 37.9(9) . . . . no
C93 Cu6 C91 C92 37.7(7) . . . . no
Zn6 Cu6 C92 C93 50.2(13) . . . . no
Zn6 Cu6 C92 C97 174.3(9) . . . . no
Zn7 Cu6 C92 C91 117.9(7) . . . . no
Zn7 Cu6 C92 C93 -125.9(6) . . . . no
Zn7 Cu6 C92 C97 -1.8(13) . . . . no
C92 Cu6 C91 C96 117.0(15) . . . . no
C95 Cu6 C91 C96 -126.8(16) . . . . no
Zn6 Cu6 C91 C92 154.1(6) . . . . no
C95 Cu6 C92 C97 -157.0(15) . . . . no
Zn6 Cu6 C93 C92 -159.1(6) . . . . no
Zn6 Cu6 C93 C94 -40.3(8) . . . . no
Zn6 Cu6 C93 C98 81.7(12) . . . . no
Zn7 Cu6 C93 C92 61.5(7) . . . . no
Zn7 Cu6 C93 C94 -179.6(6) . . . . no
Zn7 Cu6 C93 C98 -57.6(12) . . . . no
C91 Cu6 C93 C92 -39.4(7) . . . . no
C93 Cu6 C91 C95 -78.6(8) . . . . no
C93 Cu6 C91 C96 154.6(14) . . . . no
C94 Cu6 C91 C92 78.8(7) . . . . no
C94 Cu6 C91 C95 -37.5(7) . . . . no
C94 Cu6 C91 C96 -164.2(14) . . . . no
C95 Cu6 C91 C92 116.2(10) . . . . no
C95 Cu6 C93 C92 -81.2(8) . . . . no
C95 Cu6 C93 C94 37.7(7) . . . . no
C95 Cu6 C93 C98 159.7(13) . . . . no
Zn6 Cu6 C94 C93 148.3(6) . . . . no
Zn6 Cu6 C94 C95 -93.6(6) . . . . no
Zn6 Cu6 C94 C99 23.6(11) . . . . no
Zn7 Cu6 C94 C93 0.7(11) . . . . no
Zn7 Cu6 C94 C95 118.8(7) . . . . no
Zn7 Cu6 C94 C99 -124.0(10) . . . . no
C91 Cu6 C94 C93 -81.4(8) . . . . no
C91 Cu6 C94 C95 36.7(7) . . . . no
C91 Cu6 C94 C99 153.9(12) . . . . no
C92 Cu6 C94 C93 -37.0(7) . . . . no
C92 Cu6 C94 C95 81.1(8) . . . . no
C92 Cu6 C94 C99 -161.7(13) . . . . no
C93 Cu6 C94 C95 118.1(10) . . . . no
C93 Cu6 C94 C99 -124.7(14) . . . . no
C95 Cu6 C94 C93 -118.1(10) . . . . no
C95 Cu6 C94 C99 117.2(14) . . . . no
Zn6 Cu6 C95 C91 -151.0(7) . . . . no
Zn6 Cu6 C95 C94 90.8(6) . . . . no
Zn6 Cu6 C95 C100 -31.0(11) . . . . no
Zn7 Cu6 C95 C91 -9.3(10) . . . . no
Zn7 Cu6 C95 C94 -127.5(6) . . . . no
Zn7 Cu6 C95 C100 110.7(11) . . . . no
C91 Cu6 C95 C94 -118.2(10) . . . . no
C91 Cu6 C95 C100 120.0(14) . . . . no
C92 Cu6 C95 C91 39.4(8) . . . . no
C92 Cu6 C95 C94 -78.7(7) . . . . no
C92 Cu6 C95 C100 159.4(13) . . . . no
C93 Cu6 C95 C91 81.8(8) . . . . no
C93 Cu6 C95 C94 -36.4(7) . . . . no
C93 Cu6 C95 C100 -158.2(13) . . . . no
C94 Cu6 C95 C91 118.2(10) . . . . no
C94 Cu6 C95 C100 -121.9(14) . . . . no
C91 Cu6 C92 C97 -119.7(16) . . . . no
C93 Cu6 C92 C91 -116.2(10) . . . . no
C93 Cu6 C92 C97 124.1(16) . . . . no
C94 Cu6 C92 C91 -80.1(8) . . . . no
C94 Cu6 C92 C93 36.1(7) . . . . no
C94 Cu6 C92 C97 160.2(15) . . . . no
C91 Cu6 C92 C93 116.2(10) . . . . no
C95 Cu6 C92 C93 78.9(7) . . . . no
C91 Cu6 C93 C94 79.5(8) . . . . no
C91 Cu6 C93 C98 -158.5(13) . . . . no
C92 Cu6 C93 C94 118.8(10) . . . . no
C92 Cu6 C93 C98 -119.2(14) . . . . no
C94 Cu6 C93 C92 -118.8(10) . . . . no
C95 Cu6 C92 C91 -37.3(7) . . . . no
C94 Cu6 C93 C98 122.0(15) . . . . no
Cu12 Zn14 Cu10 C173 -119.3(9) . . . . no
Cu12 Zn14 Cu10 C174 -108.0(3) . . . . no
Cu12 Zn14 Cu10 C172 172.9(5) . . . . no
Cu10 Zn14 Cu11 Zn15 35.13(7) . . . . no
Cu10 Zn14 Cu11 C181 -128.2(3) . . . . no
Cu12 Zn14 Cu10 C175 -136.3(4) . . . . no
Cu10 Zn14 Cu12 C195 149.2(4) . . . . no
Cu12 Zn14 Cu11 C185 -175.3(4) . . . . no
Cu10 Zn14 Cu12 Zn15 -35.19(7) . . . . no
Cu10 Zn14 Cu12 C191 115.0(4) . . . . no
Cu10 Zn14 Cu12 C192 104.5(6) . . . . no
Cu10 Zn14 Cu12 C193 177.0(7) . . . . no
Cu10 Zn14 Cu12 C194 -179.1(3) . . . . no
Cu11 Zn14 Cu12 C195 -140.7(4) . . . . no
Cu11 Zn14 Cu10 C174 -178.6(4) . . . . no
Cu11 Zn14 Cu10 C175 153.1(4) . . . . no
Cu12 Zn14 Cu10 Zn15 35.60(7) . . . . no
Cu12 Zn14 Cu10 C171 -172.6(4) . . . . no
Cu10 Zn14 Cu11 C184 -139.1(8) . . . . no
Cu10 Zn14 Cu11 C185 -104.8(4) . . . . no
Cu12 Zn14 Cu11 Zn15 -35.40(7) . . . . no
Cu12 Zn14 Cu11 C181 161.3(3) . . . . no
Cu12 Zn14 Cu11 C182 122.7(3) . . . . no
Cu10 Zn14 Cu11 C182 -166.8(3) . . . . no
Cu10 Zn14 Cu11 C183 174.5(4) . . . . no
Cu11 Zn14 Cu10 C171 116.7(4) . . . . no
Cu11 Zn14 Cu12 Zn15 34.91(7) . . . . no
Cu11 Zn14 Cu10 Zn15 -35.06(7) . . . . no
Cu12 Zn14 Cu11 C184 150.4(8) . . . . no
Cu11 Zn14 Cu10 C172 102.2(5) . . . . no
Cu12 Zn14 Cu11 C183 104.0(4) . . . . no
Cu11 Zn14 Cu10 C173 170.0(9) . . . . no
Cu11 Zn14 Cu12 C194 -109.0(3) . . . . no
Cu11 Zn14 Cu12 C191 -174.9(4) . . . . no
Cu11 Zn14 Cu12 C192 174.6(6) . . . . no
Cu11 Zn14 Cu12 C193 -112.9(7) . . . . no
Cu12 Zn15 Cu10 C172 172.2(3) . . . . no
Cu12 Zn15 Cu10 C174 105.7(4) . . . . no
Cu12 Zn15 Cu11 C184 -147.3(3) . . . . no
Cu12 Zn15 Cu10 C173 133.5(4) . . . . no
Cu12 Zn15 Cu11 C185 179.3(3) . . . . no
Cu12 Zn15 Cu10 C175 124.1(10) . . . . no
Cu10 Zn15 Cu12 C195 -156.5(10) . . . . no
Cu10 Zn15 Cu11 Zn14 -34.97(7) . . . . no
Cu10 Zn15 Cu12 Zn14 35.26(7) . . . . no
Cu10 Zn15 Cu12 C191 -103.0(5) . . . . no
Cu11 Zn15 Cu10 C175 -165.1(10) . . . . no
Cu12 Zn15 Cu10 Zn14 -35.40(7) . . . . no
Cu12 Zn15 Cu10 C171 -171.6(5) . . . . no
Cu11 Zn15 Cu10 C172 -117.1(3) . . . . no
Cu10 Zn15 Cu12 C192 -121.4(4) . . . . no
Cu10 Zn15 Cu12 C193 -159.1(4) . . . . no
Cu10 Zn15 Cu12 C194 174.8(4) . . . . no
Cu11 Zn15 Cu10 C174 176.4(4) . . . . no
Cu10 Zn15 Cu11 C181 107.5(6) . . . . no
Cu10 Zn15 Cu11 C182 -172.3(6) . . . . no
Cu10 Zn15 Cu11 C183 177.4(3) . . . . no
Cu11 Zn15 Cu12 Zn14 -35.28(7) . . . . no
Cu10 Zn15 Cu11 C184 142.7(3) . . . . no
Cu10 Zn15 Cu11 C185 109.2(3) . . . . no
Cu12 Zn15 Cu11 Zn14 35.05(7) . . . . no
Cu12 Zn15 Cu11 C182 -102.3(6) . . . . no
Cu12 Zn15 Cu11 C183 -112.6(3) . . . . no
Cu11 Zn15 Cu10 C171 -100.9(5) . . . . no
Cu11 Zn15 Cu12 C195 133.0(10) . . . . no
Cu12 Zn15 Cu11 C181 177.5(6) . . . . no
Cu11 Zn15 Cu10 C173 -155.8(4) . . . . no
Cu11 Zn15 Cu10 Zn14 35.34(7) . . . . no
Cu11 Zn15 Cu12 C194 104.2(4) . . . . no
Cu11 Zn15 Cu12 C191 -173.5(5) . . . . no
Cu11 Zn15 Cu12 C192 168.1(4) . . . . no
Cu11 Zn15 Cu12 C193 130.3(4) . . . . no
C172 Cu10 C171 C175 -117.0(10) . . . . no
C172 Cu10 C171 C176 116.4(15) . . . . no
Zn15 Cu10 C171 C176 90.4(13) . . . . no
Zn14 Cu10 C172 C173 138.2(6) . . . . no
Zn14 Cu10 C172 C177 -100.1(12) . . . . no
Zn15 Cu10 C172 C171 162.6(6) . . . . no
Zn15 Cu10 C171 C175 -143.0(6) . . . . no
Zn14 Cu10 C172 C171 23.2(9) . . . . no
Zn14 Cu10 C173 C172 -100.2(10) . . . . no
Zn14 Cu10 C173 C174 16.8(14) . . . . no
Zn15 Cu10 C172 C173 -82.4(6) . . . . no
Zn15 Cu10 C172 C177 39.3(13) . . . . no
C171 Cu10 C172 C173 115.0(10) . . . . no
Zn15 Cu10 C171 C172 -26.0(9) . . . . no
C171 Cu10 C173 C172 -39.0(7) . . . . no
C171 Cu10 C173 C174 78.0(8) . . . . no
C171 Cu10 C173 C178 -161.4(15) . . . . no
Zn14 Cu10 C173 C178 137.4(10) . . . . no
Zn15 Cu10 C173 C172 103.4(6) . . . . no
Zn15 Cu10 C173 C174 -139.7(7) . . . . no
Zn15 Cu10 C173 C178 -19.1(13) . . . . no
C175 Cu10 C171 C176 -126.6(16) . . . . no
C175 Cu10 C173 C174 36.1(7) . . . . no
C175 Cu10 C173 C178 156.7(15) . . . . no
Zn14 Cu10 C174 C173 -171.6(7) . . . . no
Zn14 Cu10 C174 C175 -53.6(8) . . . . no
Zn14 Cu10 C174 C179 69.1(13) . . . . no
Zn15 Cu10 C174 C173 49.5(8) . . . . no
Zn15 Cu10 C174 C175 167.5(7) . . . . no
Zn15 Cu10 C174 C179 -69.8(13) . . . . no
C171 Cu10 C174 C173 -81.9(8) . . . . no
C171 Cu10 C174 C175 36.1(8) . . . . no
C172 Cu10 C173 C174 117.0(10) . . . . no
C172 Cu10 C173 C178 -122.4(15) . . . . no
C174 Cu10 C173 C172 -117.0(10) . . . . no
C174 Cu10 C173 C178 120.6(17) . . . . no
C175 Cu10 C173 C172 -80.9(8) . . . . no
Zn14 Cu10 C171 C172 -164.4(6) . . . . no
Zn14 Cu10 C171 C175 78.6(7) . . . . no
Zn14 Cu10 C171 C176 -48.0(13) . . . . no
Zn14 Cu10 C175 C174 133.6(7) . . . . no
Zn14 Cu10 C175 C180 8.3(13) . . . . no
Zn15 Cu10 C175 C171 93.2(11) . . . . no
Zn15 Cu10 C175 C174 -27.2(15) . . . . no
Zn15 Cu10 C175 C180 -152.5(9) . . . . no
C171 Cu10 C175 C174 -120.4(11) . . . . no
C171 Cu10 C175 C180 114.3(16) . . . . no
C172 Cu10 C175 C171 38.4(8) . . . . no
C172 Cu10 C175 C174 -81.9(8) . . . . no
C172 Cu10 C175 C180 152.8(15) . . . . no
C173 Cu10 C175 C171 82.6(9) . . . . no
C173 Cu10 C175 C174 -37.8(8) . . . . no
C173 Cu10 C175 C180 -163.1(15) . . . . no
C174 Cu10 C175 C171 120.4(11) . . . . no
C174 Cu10 C175 C180 -125.3(17) . . . . no
C175 Cu10 C171 C172 117.0(10) . . . . no
C175 Cu10 C174 C173 -118.0(11) . . . . no
C175 Cu10 C174 C179 122.7(16) . . . . no
Zn14 Cu10 C175 C171 -106.0(7) . . . . no
C174 Cu10 C172 C173 37.4(7) . . . . no
C174 Cu10 C172 C177 159.1(14) . . . . no
C175 Cu10 C172 C171 -37.1(7) . . . . no
C171 Cu10 C172 C177 -123.3(15) . . . . no
C173 Cu10 C172 C171 -115.0(10) . . . . no
C173 Cu10 C172 C177 121.7(15) . . . . no
C174 Cu10 C172 C171 -77.6(8) . . . . no
C173 Cu10 C171 C172 39.5(7) . . . . no
C173 Cu10 C171 C175 -77.6(8) . . . . no
C173 Cu10 C171 C176 155.9(14) . . . . no
C175 Cu10 C172 C173 77.9(7) . . . . no
C175 Cu10 C172 C177 -160.4(14) . . . . no
C173 Cu10 C174 C179 -119.3(16) . . . . no
C173 Cu10 C174 C175 118.0(11) . . . . no
C174 Cu10 C171 C172 82.1(8) . . . . no
C174 Cu10 C171 C175 -35.0(7) . . . . no
C171 Cu10 C174 C179 158.8(14) . . . . no
C172 Cu10 C174 C179 -157.9(14) . . . . no
C172 Cu10 C174 C173 -38.6(8) . . . . no
C174 Cu10 C171 C176 -161.6(14) . . . . no
C172 Cu10 C174 C175 79.4(9) . . . . no
Zn15 Cu11 C181 C185 2.6(10) . . . . no
Zn15 Cu11 C181 C186 -120.1(10) . . . . no
Zn14 Cu11 C181 C186 24.8(11) . . . . no
Zn15 Cu11 C181 C182 120.0(7) . . . . no
Zn14 Cu11 C182 C181 88.0(6) . . . . no
C182 Cu11 C181 C185 -117.4(9) . . . . no
Zn15 Cu11 C182 C187 109.1(11) . . . . no
C185 Cu11 C182 C181 -37.3(7) . . . . no
C185 Cu11 C182 C183 78.6(7) . . . . no
Zn14 Cu11 C182 C183 -156.1(6) . . . . no
Zn14 Cu11 C182 C187 -31.1(11) . . . . no
Zn15 Cu11 C182 C181 -131.9(6) . . . . no
Zn15 Cu11 C182 C183 -16.0(10) . . . . no
Zn14 Cu11 C181 C185 147.6(6) . . . . no
Zn15 Cu11 C183 C184 -68.9(7) . . . . no
Zn15 Cu11 C183 C188 51.6(11) . . . . no
C185 Cu11 C182 C187 -156.3(12) . . . . no
Zn14 Cu11 C183 C182 31.4(8) . . . . no
Zn14 Cu11 C183 C184 151.8(6) . . . . no
Zn14 Cu11 C183 C188 -87.8(11) . . . . no
Zn15 Cu11 C183 C182 170.7(6) . . . . no
Zn14 Cu11 C181 C182 -95.1(6) . . . . no
C184 Cu11 C181 C186 -160.0(12) . . . . no
C185 Cu11 C181 C182 117.4(9) . . . . no
C185 Cu11 C181 C186 -122.7(13) . . . . no
C185 Cu11 C183 C188 159.2(13) . . . . no
Zn14 Cu11 C184 C183 -67.0(11) . . . . no
Zn14 Cu11 C184 C185 49.0(11) . . . . no
Zn14 Cu11 C184 C189 170.2(8) . . . . no
Zn15 Cu11 C184 C183 118.4(6) . . . . no
Zn15 Cu11 C184 C185 -125.6(6) . . . . no
C181 Cu11 C182 C183 115.9(9) . . . . no
C181 Cu11 C182 C187 -119.0(13) . . . . no
C183 Cu11 C182 C181 -115.9(9) . . . . no
C183 Cu11 C182 C187 125.1(14) . . . . no
C184 Cu11 C182 C181 -80.2(7) . . . . no
C184 Cu11 C182 C183 35.8(7) . . . . no
C184 Cu11 C182 C187 160.8(12) . . . . no
C183 Cu11 C184 C189 -122.8(14) . . . . no
C185 Cu11 C184 C183 -116.0(10) . . . . no
C185 Cu11 C184 C189 121.2(14) . . . . no
Zn14 Cu11 C185 C181 -40.2(7) . . . . no
Zn14 Cu11 C185 C184 -158.8(6) . . . . no
Zn14 Cu11 C185 C190 83.0(15) . . . . no
Zn15 Cu11 C185 C181 -178.7(5) . . . . no
Zn15 Cu11 C185 C184 62.8(7) . . . . no
Zn15 Cu11 C185 C190 -55.4(15) . . . . no
C181 Cu11 C185 C184 -118.6(9) . . . . no
C181 Cu11 C185 C190 123.2(17) . . . . no
C182 Cu11 C185 C181 38.2(6) . . . . no
C182 Cu11 C185 C184 -80.4(7) . . . . no
C182 Cu11 C185 C190 161.4(16) . . . . no
C183 Cu11 C185 C181 80.6(7) . . . . no
C183 Cu11 C185 C184 -38.0(7) . . . . no
C183 Cu11 C185 C190 -156.2(16) . . . . no
C184 Cu11 C185 C181 118.6(9) . . . . no
C184 Cu11 C185 C190 -118.2(17) . . . . no
C185 Cu11 C183 C184 38.8(7) . . . . no
C181 Cu11 C184 C183 -79.2(7) . . . . no
C181 Cu11 C184 C185 36.8(7) . . . . no
C181 Cu11 C184 C189 158.0(13) . . . . no
C182 Cu11 C184 C183 -36.0(7) . . . . no
C182 Cu11 C184 C185 80.0(7) . . . . no
C182 Cu11 C184 C189 -158.8(13) . . . . no
Zn15 Cu11 C184 C189 -4.4(11) . . . . no
C184 Cu11 C181 C185 -37.3(7) . . . . no
C181 Cu11 C183 C184 81.4(7) . . . . no
C181 Cu11 C183 C188 -158.2(12) . . . . no
C182 Cu11 C183 C184 120.4(10) . . . . no
C182 Cu11 C183 C188 -119.2(14) . . . . no
C184 Cu11 C183 C182 -120.4(10) . . . . no
C183 Cu11 C184 C185 116.0(10) . . . . no
C181 Cu11 C183 C182 -39.0(7) . . . . no
C184 Cu11 C181 C182 80.1(7) . . . . no
C183 Cu11 C181 C182 38.0(6) . . . . no
C184 Cu11 C183 C188 120.5(14) . . . . no
C182 Cu11 C181 C186 119.9(14) . . . . no
C183 Cu11 C181 C186 158.0(12) . . . . no
C185 Cu11 C183 C182 -81.6(7) . . . . no
C183 Cu11 C181 C185 -79.3(7) . . . . no
Zn15 Cu12 C191 C195 -149.6(6) . . . . no
Zn15 Cu12 C191 C192 -30.4(9) . . . . no
Zn14 Cu12 C192 C193 133.6(6) . . . . no
Zn14 Cu12 C191 C196 -46.1(13) . . . . no
C192 Cu12 C191 C195 -119.2(11) . . . . no
Zn14 Cu12 C192 C197 -99.2(13) . . . . no
Zn15 Cu12 C191 C196 93.2(13) . . . . no
Zn14 Cu12 C192 C191 16.6(10) . . . . no
C195 Cu12 C192 C193 81.4(8) . . . . no
C195 Cu12 C192 C197 -151.4(14) . . . . no
Zn15 Cu12 C192 C191 158.4(7) . . . . no
Zn15 Cu12 C192 C193 -84.6(7) . . . . no
Zn15 Cu12 C192 C197 42.6(13) . . . . no
Zn14 Cu12 C191 C195 71.2(7) . . . . no
Zn14 Cu12 C191 C192 -169.7(7) . . . . no
C192 Cu12 C191 C196 123.6(16) . . . . no
C193 Cu12 C191 C192 37.7(7) . . . . no
Zn14 Cu12 C193 C192 -110.1(9) . . . . no
Zn14 Cu12 C193 C194 5.8(12) . . . . no
Zn14 Cu12 C193 C198 127.7(11) . . . . no
Zn15 Cu12 C193 C192 100.1(7) . . . . no
Zn15 Cu12 C193 C194 -144.0(6) . . . . no
C195 Cu12 C191 C196 -117.2(16) . . . . no
C195 Cu12 C193 C192 -78.8(8) . . . . no
C195 Cu12 C193 C194 37.1(7) . . . . no
C195 Cu12 C193 C198 159.0(14) . . . . no
Zn14 Cu12 C194 C193 -177.0(6) . . . . no
Zn14 Cu12 C194 C195 -59.1(7) . . . . no
Zn14 Cu12 C194 C199 65.2(12) . . . . no
Zn15 Cu12 C194 C193 45.0(8) . . . . no
Zn15 Cu12 C194 C195 163.0(6) . . . . no
Zn15 Cu12 C194 C199 -72.7(12) . . . . no
C193 Cu12 C191 C195 -81.5(8) . . . . no
C193 Cu12 C191 C196 161.3(14) . . . . no
C194 Cu12 C191 C192 81.1(8) . . . . no
C194 Cu12 C191 C195 -38.1(7) . . . . no
C194 Cu12 C191 C196 -155.3(14) . . . . no
C195 Cu12 C191 C192 119.2(11) . . . . no
C193 Cu12 C194 C199 -117.7(14) . . . . no
C195 Cu12 C194 C193 -117.9(10) . . . . no
C195 Cu12 C194 C199 124.3(14) . . . . no
Zn14 Cu12 C195 C191 -114.3(7) . . . . no
Zn14 Cu12 C195 C194 128.4(6) . . . . no
Zn14 Cu12 C195 C200 8.6(13) . . . . no
Zn15 Cu12 C195 C191 76.7(12) . . . . no
Zn15 Cu12 C195 C194 -40.6(13) . . . . no
Zn15 Cu12 C195 C200 -160.3(8) . . . . no
C191 Cu12 C195 C194 -117.3(10) . . . . no
C191 Cu12 C195 C200 123.0(16) . . . . no
C192 Cu12 C195 C191 37.2(8) . . . . no
C192 Cu12 C195 C194 -80.1(8) . . . . no
C192 Cu12 C195 C200 160.1(14) . . . . no
C193 Cu12 C195 C191 79.7(8) . . . . no
C193 Cu12 C195 C194 -37.6(7) . . . . no
C193 Cu12 C195 C200 -157.4(14) . . . . no
C194 Cu12 C195 C191 117.3(10) . . . . no
C194 Cu12 C195 C200 -119.8(16) . . . . no
C193 Cu12 C194 C195 117.9(10) . . . . no
C191 Cu12 C192 C197 -115.8(16) . . . . no
C193 Cu12 C192 C191 -117.0(10) . . . . no
C193 Cu12 C192 C197 127.2(16) . . . . no
C194 Cu12 C192 C191 -78.2(8) . . . . no
C194 Cu12 C192 C193 38.8(7) . . . . no
Zn15 Cu12 C193 C198 -22.1(12) . . . . no
C191 Cu12 C192 C193 117.0(10) . . . . no
C191 Cu12 C193 C192 -37.9(7) . . . . no
C191 Cu12 C193 C194 77.9(7) . . . . no
C191 Cu12 C193 C198 -160.2(14) . . . . no
C192 Cu12 C193 C194 115.9(10) . . . . no
C192 Cu12 C193 C198 -122.2(15) . . . . no
C194 Cu12 C192 C197 166.0(14) . . . . no
C195 Cu12 C192 C191 -35.6(7) . . . . no
C192 Cu12 C194 C199 -156.0(13) . . . . no
C191 Cu12 C194 C195 36.6(7) . . . . no
C194 Cu12 C193 C192 -115.9(10) . . . . no
C191 Cu12 C194 C193 -81.3(8) . . . . no
C192 Cu12 C194 C195 79.7(8) . . . . no
C194 Cu12 C193 C198 121.9(15) . . . . no
C192 Cu12 C194 C193 -38.2(7) . . . . no
C191 Cu12 C194 C199 161.0(13) . . . . no
C1 Zn1 C2 C3 117.5(12) . . . . no
C2 Zn1 C3 C4 117.5(12) . . . . no
C5 Zn1 C1 C6 -121.9(15) . . . . no
C3 Zn1 C2 C1 -117.5(12) . . . . no
C2 Zn1 C3 C8 -124.5(16) . . . . no
C1 Zn1 C2 C7 -123.3(16) . . . . no
C5 Zn1 C1 C2 115.2(11) . . . . no
C1 Zn1 C3 C8 -161.2(14) . . . . no
C1 Zn1 C5 C10 116.2(14) . . . . no
C4 Zn1 C3 C2 -117.5(12) . . . . no
C4 Zn1 C3 C8 118.0(16) . . . . no
C5 Zn1 C3 C2 -80.4(9) . . . . no
C3 Zn1 C2 C7 119.2(16) . . . . no
C4 Zn1 C1 C6 -158.9(14) . . . . no
C3 Zn1 C5 C10 -165.0(14) . . . . no
C4 Zn1 C5 C1 115.9(12) . . . . no
C2 Zn1 C5 C1 37.3(8) . . . . no
C2 Zn1 C5 C4 -78.6(9) . . . . no
C2 Zn1 C5 C10 153.5(13) . . . . no
C3 Zn1 C5 C1 78.8(9) . . . . no
C3 Zn1 C5 C4 -37.2(9) . . . . no
C5 Zn1 C4 C9 119.0(15) . . . . no
C1 Zn1 C5 C4 -115.9(12) . . . . no
C1 Zn1 C3 C4 80.8(9) . . . . no
C4 Zn1 C1 C2 78.2(8) . . . . no
C4 Zn1 C1 C5 -37.0(8) . . . . no
C5 Zn1 C4 C3 -116.9(13) . . . . no
C2 Zn1 C1 C5 -115.2(11) . . . . no
C2 Zn1 C1 C6 122.9(16) . . . . no
C3 Zn1 C1 C2 36.8(8) . . . . no
C3 Zn1 C1 C5 -78.4(9) . . . . no
C5 Zn1 C3 C4 37.1(8) . . . . no
C5 Zn1 C3 C8 155.1(14) . . . . no
C1 Zn1 C4 C3 -78.0(9) . . . . no
C3 Zn1 C4 C9 -124.2(15) . . . . no
C4 Zn1 C2 C7 156.0(14) . . . . no
C5 Zn1 C2 C1 -39.3(8) . . . . no
C5 Zn1 C2 C3 78.2(9) . . . . no
C3 Zn1 C1 C6 159.8(14) . . . . no
C2 Zn1 C4 C9 -161.0(13) . . . . no
C3 Zn1 C4 C5 116.9(13) . . . . no
C4 Zn1 C2 C3 36.8(8) . . . . no
C5 Zn1 C2 C7 -162.6(14) . . . . no
C4 Zn1 C5 C10 -127.9(16) . . . . no
C1 Zn1 C4 C5 38.9(9) . . . . no
C2 Zn1 C4 C5 80.1(10) . . . . no
C1 Zn1 C3 C2 -36.7(8) . . . . no
C4 Zn1 C2 C1 -80.7(9) . . . . no
C1 Zn1 C4 C9 157.8(13) . . . . no
C2 Zn1 C4 C3 -36.8(8) . . . . no
C12 Zn4 C14 C15 80.0(8) . . . . no
C12 Zn4 C14 C13 -37.2(6) . . . . no
C14 Zn4 C15 C20 -125.8(17) . . . . no
C12 Zn4 C14 C19 -162.8(13) . . . . no
C13 Zn4 C14 C15 117.2(10) . . . . no
C11 Zn4 C14 C15 37.8(8) . . . . no
C11 Zn4 C14 C19 155.1(14) . . . . no
C14 Zn4 C12 C13 36.4(7) . . . . no
C14 Zn4 C12 C17 161.3(11) . . . . no
C15 Zn4 C12 C11 -35.9(8) . . . . no
C15 Zn4 C12 C13 78.7(7) . . . . no
C11 Zn4 C14 C13 -79.3(7) . . . . no
C13 Zn4 C14 C19 -125.6(15) . . . . no
C15 Zn4 C14 C13 -117.2(10) . . . . no
C15 Zn4 C13 C14 37.6(7) . . . . no
C14 Zn4 C12 C11 -78.1(8) . . . . no
C12 Zn4 C11 C15 -119.0(11) . . . . no
C12 Zn4 C11 C16 117.9(15) . . . . no
C13 Zn4 C11 C12 38.7(7) . . . . no
C15 Zn4 C13 C18 159.9(12) . . . . no
C14 Zn4 C13 C18 122.3(13) . . . . no
C15 Zn4 C13 C12 -80.1(7) . . . . no
C14 Zn4 C15 C11 115.1(10) . . . . no
C13 Zn4 C15 C11 78.5(8) . . . . no
C13 Zn4 C15 C20 -162.4(15) . . . . no
C13 Zn4 C12 C17 124.9(12) . . . . no
C12 Zn4 C13 C14 117.7(10) . . . . no
C12 Zn4 C13 C18 -120.0(13) . . . . no
C15 Zn4 C12 C17 -156.4(11) . . . . no
C15 Zn4 C14 C19 117.3(15) . . . . no
C11 Zn4 C13 C12 -38.6(7) . . . . no
C11 Zn4 C13 C14 79.2(8) . . . . no
C11 Zn4 C13 C18 -158.5(12) . . . . no
C14 Zn4 C11 C15 -38.7(7) . . . . no
C11 Zn4 C15 C14 -115.1(10) . . . . no
C14 Zn4 C13 C12 -117.7(10) . . . . no
C12 Zn4 C15 C14 -78.8(7) . . . . no
C12 Zn4 C15 C20 155.5(15) . . . . no
C11 Zn4 C12 C17 -120.5(13) . . . . no
C13 Zn4 C15 C14 -36.7(7) . . . . no
C13 Zn4 C12 C11 -114.5(10) . . . . no
C13 Zn4 C11 C15 -80.3(8) . . . . no
C11 Zn4 C15 C20 119.1(16) . . . . no
C12 Zn4 C15 C11 36.4(7) . . . . no
C14 Zn4 C11 C16 -161.8(13) . . . . no
C13 Zn4 C11 C16 156.6(13) . . . . no
C14 Zn4 C11 C12 80.3(8) . . . . no
C15 Zn4 C11 C16 -123.1(14) . . . . no
C11 Zn4 C12 C13 114.5(10) . . . . no
C15 Zn4 C11 C12 119.0(11) . . . . no
C52 Zn5 C53 C58 -121.2(13) . . . . no
C52 Zn5 C53 C54 118.9(9) . . . . no
C54 Zn5 C51 C55 -37.6(7) . . . . no
C53 Zn5 C54 C59 -121.9(13) . . . . no
C51 Zn5 C53 C58 -160.5(11) . . . . no
C54 Zn5 C51 C56 -163.0(13) . . . . no
C51 Zn5 C53 C52 -39.3(7) . . . . no
C55 Zn5 C51 C52 116.1(9) . . . . no
C54 Zn5 C51 C52 78.5(7) . . . . no
C55 Zn5 C54 C59 121.6(13) . . . . no
C55 Zn5 C51 C56 -125.4(14) . . . . no
C54 Zn5 C53 C52 -118.9(9) . . . . no
C54 Zn5 C53 C58 119.9(13) . . . . no
C55 Zn5 C53 C52 -80.9(7) . . . . no
C54 Zn5 C55 C60 -122.4(13) . . . . no
C55 Zn5 C54 C53 -116.5(10) . . . . no
C52 Zn5 C54 C55 80.4(7) . . . . no
C52 Zn5 C54 C59 -158.0(12) . . . . no
C53 Zn5 C54 C55 116.5(10) . . . . no
C53 Zn5 C51 C56 155.8(13) . . . . no
C51 Zn5 C53 C54 79.6(7) . . . . no
C55 Zn5 C52 C57 -158.9(13) . . . . no
C55 Zn5 C53 C54 38.0(7) . . . . no
C55 Zn5 C53 C58 157.9(11) . . . . no
C51 Zn5 C54 C53 -79.6(7) . . . . no
C51 Zn5 C54 C55 36.9(7) . . . . no
C51 Zn5 C52 C53 115.4(9) . . . . no
C51 Zn5 C52 C57 -121.8(14) . . . . no
C53 Zn5 C52 C51 -115.4(9) . . . . no
C55 Zn5 C52 C53 78.3(7) . . . . no
C52 Zn5 C55 C51 38.8(7) . . . . no
C52 Zn5 C55 C54 -78.3(7) . . . . no
C53 Zn5 C52 C57 122.8(14) . . . . no
C51 Zn5 C54 C59 158.5(12) . . . . no
C52 Zn5 C54 C53 -36.1(6) . . . . no
C53 Zn5 C51 C55 -78.8(7) . . . . no
C51 Zn5 C55 C60 120.5(13) . . . . no
C54 Zn5 C55 C51 117.1(10) . . . . no
C53 Zn5 C55 C60 -159.4(12) . . . . no
C51 Zn5 C55 C54 -117.1(10) . . . . no
C54 Zn5 C52 C51 -79.4(7) . . . . no
C52 Zn5 C51 C55 -116.1(9) . . . . no
C52 Zn5 C55 C60 159.3(12) . . . . no
C53 Zn5 C51 C52 37.3(6) . . . . no
C55 Zn5 C52 C51 -37.1(6) . . . . no
C53 Zn5 C55 C54 -37.0(7) . . . . no
C52 Zn5 C51 C56 118.5(14) . . . . no
C54 Zn5 C52 C57 158.8(13) . . . . no
C53 Zn5 C55 C51 80.1(7) . . . . no
C54 Zn5 C52 C53 36.0(6) . . . . no
C62 Zn8 C65 C61 39.4(8) . . . . no
C65 Zn8 C63 C64 35.6(7) . . . . no
C61 Zn8 C63 C68 -155.4(14) . . . . no
C62 Zn8 C65 C64 -78.4(9) . . . . no
C65 Zn8 C63 C62 -81.3(9) . . . . no
C62 Zn8 C65 C70 160.6(14) . . . . no
C61 Zn8 C65 C70 121.3(16) . . . . no
C65 Zn8 C62 C67 -153.5(14) . . . . no
C64 Zn8 C63 C68 126.4(15) . . . . no
C62 Zn8 C63 C68 -116.7(15) . . . . no
C62 Zn8 C64 C65 81.2(9) . . . . no
C62 Zn8 C64 C69 -154.7(14) . . . . no
C61 Zn8 C64 C65 37.7(8) . . . . no
C65 Zn8 C61 C66 -120.8(17) . . . . no
C64 Zn8 C63 C62 -116.9(12) . . . . no
C65 Zn8 C61 C62 114.2(11) . . . . no
C62 Zn8 C64 C63 -37.1(8) . . . . no
C61 Zn8 C65 C64 -117.8(12) . . . . no
C61 Zn8 C63 C64 78.3(8) . . . . no
C65 Zn8 C64 C69 124.1(16) . . . . no
C63 Zn8 C64 C65 118.3(11) . . . . no
C65 Zn8 C63 C68 162.0(14) . . . . no
C61 Zn8 C64 C69 161.9(15) . . . . no
C64 Zn8 C61 C66 -156.4(15) . . . . no
C63 Zn8 C65 C64 -36.9(8) . . . . no
C61 Zn8 C64 C63 -80.6(9) . . . . no
C63 Zn8 C65 C70 -157.8(14) . . . . no
C64 Zn8 C65 C61 117.8(12) . . . . no
C62 Zn8 C61 C65 -114.2(11) . . . . no
C61 Zn8 C62 C63 116.1(11) . . . . no
C63 Zn8 C65 C61 80.9(9) . . . . no
C64 Zn8 C61 C65 -35.6(8) . . . . no
C62 Zn8 C63 C64 116.9(12) . . . . no
C64 Zn8 C61 C62 78.6(8) . . . . no
C61 Zn8 C63 C62 -38.7(8) . . . . no
C61 Zn8 C62 C67 -114.8(15) . . . . no
C62 Zn8 C61 C66 125.0(16) . . . . no
C63 Zn8 C61 C62 37.1(7) . . . . no
C63 Zn8 C61 C65 -77.1(9) . . . . no
C63 Zn8 C61 C66 162.1(15) . . . . no
C64 Zn8 C62 C67 166.3(14) . . . . no
C63 Zn8 C64 C69 -117.6(16) . . . . no
C65 Zn8 C64 C63 -118.3(11) . . . . no
C63 Zn8 C62 C61 -116.1(11) . . . . no
C63 Zn8 C62 C67 129.1(17) . . . . no
C64 Zn8 C65 C70 -120.9(16) . . . . no
C64 Zn8 C62 C63 37.2(8) . . . . no
C64 Zn8 C62 C61 -78.9(8) . . . . no
C65 Zn8 C62 C61 -38.8(7) . . . . no
C65 Zn8 C62 C63 77.3(9) . . . . no
C101 Zn9 C104 C109 159.0(11) . . . . no
C105 Zn9 C103 C108 163.6(11) . . . . no
C102 Zn9 C101 C105 -117.3(11) . . . . no
C105 Zn9 C104 C103 -116.9(10) . . . . no
C103 Zn9 C104 C105 116.9(10) . . . . no
C102 Zn9 C104 C105 78.1(7) . . . . no
C103 Zn9 C104 C109 -121.0(12) . . . . no
C101 Zn9 C104 C103 -80.0(7) . . . . no
C105 Zn9 C103 C104 36.7(7) . . . . no
C104 Zn9 C102 C101 -78.5(7) . . . . no
C104 Zn9 C102 C103 38.8(7) . . . . no
C102 Zn9 C104 C109 -159.8(11) . . . . no
C102 Zn9 C101 C106 120.3(13) . . . . no
C104 Zn9 C105 C101 117.9(11) . . . . no
C101 Zn9 C104 C105 36.9(7) . . . . no
C103 Zn9 C102 C101 -117.3(10) . . . . no
C103 Zn9 C102 C107 118.8(12) . . . . no
C101 Zn9 C102 C103 117.3(10) . . . . no
C104 Zn9 C102 C107 157.6(11) . . . . no
C104 Zn9 C105 C110 -121.1(13) . . . . no
C103 Zn9 C105 C110 -159.2(12) . . . . no
C102 Zn9 C104 C103 -38.8(6) . . . . no
C101 Zn9 C105 C104 -117.9(11) . . . . no
C103 Zn9 C101 C105 -79.5(8) . . . . no
C103 Zn9 C101 C106 158.1(11) . . . . no
C101 Zn9 C102 C107 -123.9(12) . . . . no
C104 Zn9 C101 C105 -36.5(8) . . . . no
C105 Zn9 C102 C101 -37.2(7) . . . . no
C105 Zn9 C104 C109 122.2(13) . . . . no
C103 Zn9 C105 C104 -38.1(7) . . . . no
C104 Zn9 C103 C108 126.9(12) . . . . no
C105 Zn9 C103 C102 -78.1(7) . . . . no
C103 Zn9 C101 C102 37.9(7) . . . . no
C104 Zn9 C101 C102 80.8(7) . . . . no
C101 Zn9 C105 C110 121.1(14) . . . . no
C102 Zn9 C105 C101 36.8(7) . . . . no
C102 Zn9 C105 C104 -81.1(8) . . . . no
C105 Zn9 C102 C103 80.2(8) . . . . no
C105 Zn9 C102 C107 -161.0(11) . . . . no
C105 Zn9 C101 C106 -122.4(13) . . . . no
C101 Zn9 C103 C102 -36.5(7) . . . . no
C102 Zn9 C105 C110 157.9(12) . . . . no
C101 Zn9 C103 C104 78.3(7) . . . . no
C101 Zn9 C103 C108 -154.8(11) . . . . no
C105 Zn9 C101 C102 117.3(11) . . . . no
C103 Zn9 C105 C101 79.7(8) . . . . no
C104 Zn9 C103 C102 -114.8(9) . . . . no
C102 Zn9 C103 C104 114.8(9) . . . . no
C102 Zn9 C103 C108 -118.4(12) . . . . no
C104 Zn9 C101 C106 -159.0(11) . . . . no
C115 Zn12 C111 C112 116.2(10) . . . . no
C114 Zn12 C113 C112 -115.7(10) . . . . no
C112 Zn12 C113 C118 -122.1(14) . . . . no
C114 Zn12 C111 C116 -157.0(14) . . . . no
C111 Zn12 C115 C120 120.9(13) . . . . no
C111 Zn12 C112 C117 -120.9(13) . . . . no
C114 Zn12 C111 C115 -36.3(7) . . . . no
C114 Zn12 C111 C112 80.0(7) . . . . no
C111 Zn12 C113 C112 -37.6(7) . . . . no
C112 Zn12 C115 C114 -79.6(7) . . . . no
C115 Zn12 C111 C116 -120.7(15) . . . . no
C112 Zn12 C115 C111 38.0(7) . . . . no
C115 Zn12 C114 C113 -118.0(10) . . . . no
C115 Zn12 C114 C119 121.6(15) . . . . no
C113 Zn12 C111 C116 160.4(13) . . . . no
C115 Zn12 C112 C117 -158.6(12) . . . . no
C113 Zn12 C115 C114 -37.5(7) . . . . no
C113 Zn12 C115 C120 -159.0(12) . . . . no
C111 Zn12 C115 C114 -117.6(10) . . . . no
C112 Zn12 C115 C120 158.9(12) . . . . no
C111 Zn12 C112 C113 116.9(10) . . . . no
C115 Zn12 C113 C114 35.9(6) . . . . no
C113 Zn12 C115 C111 80.1(7) . . . . no
C115 Zn12 C112 C113 79.2(7) . . . . no
C111 Zn12 C114 C113 -80.6(7) . . . . no
C111 Zn12 C114 C115 37.5(7) . . . . no
C113 Zn12 C114 C119 -120.4(14) . . . . no
C111 Zn12 C113 C114 78.1(7) . . . . no
C111 Zn12 C113 C118 -159.8(12) . . . . no
C112 Zn12 C113 C114 115.7(10) . . . . no
C115 Zn12 C113 C118 158.1(12) . . . . no
C113 Zn12 C114 C115 118.0(10) . . . . no
C112 Zn12 C114 C119 -158.4(13) . . . . no
C111 Zn12 C114 C119 159.0(13) . . . . no
C114 Zn12 C113 C118 122.2(13) . . . . no
C115 Zn12 C113 C112 -79.7(8) . . . . no
C113 Zn12 C111 C112 37.4(7) . . . . no
C113 Zn12 C111 C115 -78.9(7) . . . . no
C115 Zn12 C112 C111 -37.7(7) . . . . no
C114 Zn12 C115 C111 117.6(10) . . . . no
C113 Zn12 C112 C111 -116.9(10) . . . . no
C112 Zn12 C111 C115 -116.2(10) . . . . no
C112 Zn12 C111 C116 123.1(14) . . . . no
C114 Zn12 C112 C113 38.4(7) . . . . no
C114 Zn12 C112 C117 160.6(13) . . . . no
C112 Zn12 C114 C115 80.0(7) . . . . no
C114 Zn12 C112 C111 -78.6(7) . . . . no
C114 Zn12 C115 C120 -121.5(13) . . . . no
C113 Zn12 C112 C117 122.2(14) . . . . no
C112 Zn12 C114 C113 -38.0(7) . . . . no
C151 Zn13 C154 C159 154.4(12) . . . . no
C151 Zn13 C153 C154 75.9(8) . . . . no
C154 Zn13 C152 C151 -77.3(7) . . . . no
C151 Zn13 C154 C155 35.7(7) . . . . no
C151 Zn13 C152 C153 115.0(10) . . . . no
C155 Zn13 C151 C156 -124.4(16) . . . . no
C153 Zn13 C155 C154 -35.7(6) . . . . no
C154 Zn13 C152 C153 37.8(7) . . . . no
C154 Zn13 C155 C160 -122.0(13) . . . . no
C153 Zn13 C152 C157 116.5(16) . . . . no
C153 Zn13 C152 C151 -115.0(10) . . . . no
C153 Zn13 C155 C160 -157.7(12) . . . . no
C151 Zn13 C154 C153 -84.4(8) . . . . no
C153 Zn13 C155 C151 83.3(8) . . . . no
C151 Zn13 C155 C160 119.0(14) . . . . no
C154 Zn13 C152 C157 154.2(14) . . . . no
C155 Zn13 C152 C151 -35.7(7) . . . . no
C155 Zn13 C152 C153 79.3(8) . . . . no
C155 Zn13 C153 C158 155.6(13) . . . . no
C155 Zn13 C154 C159 118.7(13) . . . . no
C151 Zn13 C155 C154 -118.9(10) . . . . no
C154 Zn13 C151 C155 -36.6(7) . . . . no
C152 Zn13 C154 C153 -41.2(8) . . . . no
C152 Zn13 C154 C155 78.9(8) . . . . no
C154 Zn13 C155 C151 118.9(10) . . . . no
C153 Zn13 C154 C155 120.1(10) . . . . no
C154 Zn13 C151 C156 -161.0(14) . . . . no
C155 Zn13 C151 C152 118.2(10) . . . . no
C151 Zn13 C153 C158 -164.2(13) . . . . no
C152 Zn13 C153 C154 114.2(11) . . . . no
C152 Zn13 C153 C158 -125.9(15) . . . . no
C152 Zn13 C154 C159 -162.4(12) . . . . no
C151 Zn13 C152 C157 -128.5(15) . . . . no
C154 Zn13 C153 C158 119.9(14) . . . . no
C155 Zn13 C153 C152 -78.5(8) . . . . no
C155 Zn13 C153 C154 35.7(7) . . . . no
C152 Zn13 C155 C160 156.9(12) . . . . no
C153 Zn13 C154 C159 -121.2(13) . . . . no
C155 Zn13 C154 C153 -120.1(10) . . . . no
C153 Zn13 C151 C152 40.3(7) . . . . no
C153 Zn13 C151 C155 -77.9(8) . . . . no
C152 Zn13 C155 C151 37.9(8) . . . . no
C152 Zn13 C155 C154 -81.0(7) . . . . no
C154 Zn13 C153 C152 -114.2(11) . . . . no
C154 Zn13 C151 C152 81.6(7) . . . . no
C152 Zn13 C151 C156 117.4(14) . . . . no
C155 Zn13 C152 C157 -164.2(14) . . . . no
C151 Zn13 C153 C152 -38.3(8) . . . . no
C153 Zn13 C151 C156 157.7(13) . . . . no
C152 Zn13 C151 C155 -118.2(10) . . . . no
C162 Zn16 C163 C168 -118.7(12) . . . . no
C161 Zn16 C165 C164 -115.8(9) . . . . no
C163 Zn16 C161 C165 -80.6(7) . . . . no
C164 Zn16 C163 C168 123.0(12) . . . . no
C161 Zn16 C163 C164 79.6(7) . . . . no
C165 Zn16 C163 C164 38.4(6) . . . . no
C164 Zn16 C161 C166 -159.6(11) . . . . no
C164 Zn16 C163 C162 -118.2(8) . . . . no
C161 Zn16 C163 C162 -38.7(6) . . . . no
C163 Zn16 C161 C162 38.7(6) . . . . no
C163 Zn16 C161 C166 159.0(11) . . . . no
C165 Zn16 C163 C162 -79.9(6) . . . . no
C164 Zn16 C161 C165 -39.1(6) . . . . no
C165 Zn16 C162 C167 -157.9(11) . . . . no
C165 Zn16 C161 C162 119.3(9) . . . . no
C162 Zn16 C163 C164 118.2(8) . . . . no
C161 Zn16 C165 C170 124.1(13) . . . . no
C161 Zn16 C163 C168 -157.4(11) . . . . no
C164 Zn16 C161 C162 80.2(6) . . . . no
C165 Zn16 C162 C163 79.4(7) . . . . no
C161 Zn16 C164 C165 37.2(6) . . . . no
C162 Zn16 C161 C165 -119.3(9) . . . . no
C165 Zn16 C164 C169 120.0(13) . . . . no
C162 Zn16 C161 C166 120.3(12) . . . . no
C162 Zn16 C164 C169 -160.1(12) . . . . no
C165 Zn16 C162 C161 -35.6(6) . . . . no
C161 Zn16 C164 C163 -79.9(6) . . . . no
C165 Zn16 C164 C163 -117.1(9) . . . . no
C161 Zn16 C162 C167 -122.3(13) . . . . no
C165 Zn16 C161 C166 -120.4(12) . . . . no
C162 Zn16 C164 C163 -37.3(6) . . . . no
C162 Zn16 C164 C165 79.8(7) . . . . no
C163 Zn16 C164 C165 117.1(9) . . . . no
C163 Zn16 C164 C169 -122.9(13) . . . . no
C161 Zn16 C162 C163 115.0(9) . . . . no
C165 Zn16 C163 C168 161.4(11) . . . . no
C163 Zn16 C165 C170 -156.8(12) . . . . no
C162 Zn16 C165 C164 -79.1(7) . . . . no
C161 Zn16 C164 C169 157.3(12) . . . . no
C164 Zn16 C165 C161 115.8(9) . . . . no
C164 Zn16 C165 C170 -120.2(13) . . . . no
C164 Zn16 C162 C167 158.9(11) . . . . no
C164 Zn16 C162 C163 36.2(6) . . . . no
C163 Zn16 C162 C161 -115.0(9) . . . . no
C163 Zn16 C162 C167 122.7(13) . . . . no
C162 Zn16 C165 C161 36.7(6) . . . . no
C163 Zn16 C165 C164 -36.6(6) . . . . no
C162 Zn16 C165 C170 160.8(12) . . . . no
C164 Zn16 C162 C161 -78.8(7) . . . . no
C163 Zn16 C165 C161 79.2(6) . . . . no
C122 C121 C125 C130 171.0(15) . . . . no
C126 C121 C125 C124 -170.2(12) . . . . no
Cu7 C121 C122 C123 -61.4(10) . . . . no
C126 C121 C125 Cu7 126.6(12) . . . . no
Cu7 C121 C122 C127 126.4(17) . . . . no
C122 C121 C125 C124 2.5(15) . . . . no
C126 C121 C125 C130 -2(2) . . . . no
Cu7 C121 C125 C130 -128.2(16) . . . . no
Cu7 C121 C125 C124 63.3(9) . . . . no
C126 C121 C122 C127 -1(2) . . . . no
C122 C121 C125 Cu7 -60.8(10) . . . . no
C126 C121 C122 Cu7 -127.4(13) . . . . no
C125 C121 C122 Cu7 59.9(9) . . . . no
C125 C121 C122 C123 -1.6(16) . . . . no
C126 C121 C122 C123 171.2(12) . . . . no
C125 C121 C122 C127 -173.8(14) . . . . no
Cu7 C122 C123 C128 124.4(15) . . . . no
C127 C122 C123 C124 172.6(13) . . . . no
C121 C122 C123 C128 -174.1(13) . . . . no
C121 C122 C123 Cu7 61.5(10) . . . . no
C127 C122 C123 C128 -1(2) . . . . no
Cu7 C122 C123 C124 -61.5(10) . . . . no
C121 C122 C123 C124 -0.1(17) . . . . no
C127 C122 C123 Cu7 -125.8(14) . . . . no
Cu7 C123 C124 C125 -60.0(10) . . . . no
C128 C123 C124 C129 -1(2) . . . . no
C122 C123 C124 Cu7 61.7(11) . . . . no
C122 C123 C124 C125 1.6(16) . . . . no
C128 C123 C124 C125 175.9(13) . . . . no
C122 C123 C124 C129 -175.5(14) . . . . no
C128 C123 C124 Cu7 -124.1(13) . . . . no
Cu7 C123 C124 C129 122.9(15) . . . . no
C129 C124 C125 C121 174.8(12) . . . . no
C129 C124 C125 Cu7 -121.6(13) . . . . no
C123 C124 C125 C121 -2.5(15) . . . . no
C123 C124 C125 C130 -171.4(14) . . . . no
C129 C124 C125 C130 6(2) . . . . no
Cu7 C124 C125 C121 -63.6(9) . . . . no
Cu7 C124 C125 C130 127.6(14) . . . . no
C123 C124 C125 Cu7 61.0(10) . . . . no
C132 C131 C135 C140 171.1(11) . . . . no
C132 C131 C135 C134 1.3(14) . . . . no
C136 C131 C132 C137 -2.4(18) . . . . no
C136 C131 C135 C134 -170.5(11) . . . . no
Cu8 C131 C135 C134 62.8(9) . . . . no
C136 C131 C135 C140 -1(2) . . . . no
C132 C131 C135 Cu8 -61.5(8) . . . . no
C135 C131 C132 C133 -0.5(14) . . . . no
Cu8 C131 C135 C140 -127.4(12) . . . . no
C136 C131 C135 Cu8 126.7(13) . . . . no
C136 C131 C132 Cu8 -125.2(10) . . . . no
C136 C131 C132 C133 172.2(10) . . . . no
C135 C131 C132 C137 -175.1(12) . . . . no
C135 C131 C132 Cu8 62.2(9) . . . . no
Cu8 C131 C132 C133 -62.7(8) . . . . no
Cu8 C131 C132 C137 122.8(12) . . . . no
C137 C132 C133 C134 174.2(12) . . . . no
C131 C132 C133 C138 -172.7(12) . . . . no
Cu8 C132 C133 C138 124.7(13) . . . . no
C131 C132 C133 C134 -0.5(13) . . . . no
C131 C132 C133 Cu8 62.5(8) . . . . no
C137 C132 C133 Cu8 -122.8(12) . . . . no
C137 C132 C133 C138 2(2) . . . . no
Cu8 C132 C133 C134 -63.0(8) . . . . no
C132 C133 C134 Cu8 63.4(8) . . . . no
C138 C133 C134 C135 173.8(12) . . . . no
C132 C133 C134 C139 -173.5(10) . . . . no
C132 C133 C134 C135 1.2(13) . . . . no
C138 C133 C134 Cu8 -124.1(12) . . . . no
C138 C133 C134 C139 -0.9(19) . . . . no
Cu8 C133 C134 C139 123.2(11) . . . . no
Cu8 C133 C134 C135 -62.1(8) . . . . no
Cu8 C134 C135 C131 -63.2(9) . . . . no
C139 C134 C135 Cu8 -124.0(12) . . . . no
C133 C134 C135 C131 -1.6(14) . . . . no
C139 C134 C135 C140 2.9(19) . . . . no
C139 C134 C135 C131 172.8(11) . . . . no
C133 C134 C135 Cu8 61.6(8) . . . . no
C133 C134 C135 C140 -171.5(11) . . . . no
Cu8 C134 C135 C140 126.9(11) . . . . no
C142 C141 C145 Cu9 -61.8(7) . . . . no
C145 C141 C142 C147 -172.8(11) . . . . no
C146 C141 C142 C143 174.0(11) . . . . no
C146 C141 C142 Cu9 -124.6(11) . . . . no
C146 C141 C142 C147 1.8(18) . . . . no
Cu9 C141 C145 C150 -125.6(10) . . . . no
Cu9 C141 C145 C144 63.1(7) . . . . no
C146 C141 C145 C150 -2.0(17) . . . . no
C145 C141 C142 C143 -0.6(12) . . . . no
C145 C141 C142 Cu9 60.8(7) . . . . no
Cu9 C141 C142 C147 126.4(11) . . . . no
C142 C141 C145 C150 172.6(10) . . . . no
C146 C141 C145 Cu9 123.6(11) . . . . no
C146 C141 C145 C144 -173.3(11) . . . . no
C142 C141 C145 C144 1.3(12) . . . . no
Cu9 C141 C142 C143 -61.4(7) . . . . no
C147 C142 C143 C148 -0.6(17) . . . . no
C147 C142 C143 C144 172.1(10) . . . . no
Cu9 C142 C143 C148 125.3(10) . . . . no
C141 C142 C143 C144 -0.3(12) . . . . no
C147 C142 C143 Cu9 -125.9(11) . . . . no
C141 C142 C143 C148 -173.0(10) . . . . no
Cu9 C142 C143 C144 -62.1(8) . . . . no
C141 C142 C143 Cu9 61.8(7) . . . . no
C142 C143 C144 Cu9 62.4(7) . . . . no
C148 C143 C144 C149 0.6(18) . . . . no
C148 C143 C144 C145 173.6(10) . . . . no
Cu9 C143 C144 C145 -61.3(7) . . . . no
C142 C143 C144 C145 1.2(12) . . . . no
Cu9 C143 C144 C149 125.7(11) . . . . no
C148 C143 C144 Cu9 -125.1(11) . . . . no
C142 C143 C144 C149 -171.9(10) . . . . no
C149 C144 C145 C141 171.5(10) . . . . no
C149 C144 C145 C150 0.7(18) . . . . no
C143 C144 C145 C150 -172.3(10) . . . . no
C149 C144 C145 Cu9 -125.2(11) . . . . no
Cu9 C144 C145 C141 -63.3(7) . . . . no
C143 C144 C145 C141 -1.5(12) . . . . no
Cu9 C144 C145 C150 125.9(11) . . . . no
C143 C144 C145 Cu9 61.8(7) . . . . no
C26 C21 C25 C24 -172.4(11) . . . . no
C26 C21 C25 Cu1 126.5(12) . . . . no
C26 C21 C22 Cu1 -125.7(11) . . . . no
C22 C21 C25 C24 1.2(13) . . . . no
C25 C21 C22 C23 -2.4(12) . . . . no
C22 C21 C25 C30 173.8(13) . . . . no
C26 C21 C25 C30 0(2) . . . . no
C26 C21 C22 C23 171.5(10) . . . . no
C25 C21 C22 C27 -171.3(11) . . . . no
Cu1 C21 C22 C23 -62.9(7) . . . . no
Cu1 C21 C22 C27 128.2(12) . . . . no
Cu1 C21 C25 C30 -126.3(14) . . . . no
C25 C21 C22 Cu1 60.5(8) . . . . no
C22 C21 C25 Cu1 -59.9(8) . . . . no
Cu1 C21 C25 C24 61.1(8) . . . . no
C26 C21 C22 C27 2.6(18) . . . . no
C27 C22 C23 C28 -2.6(16) . . . . no
Cu1 C22 C23 C24 -60.5(7) . . . . no
C21 C22 C23 Cu1 63.3(8) . . . . no
C27 C22 C23 C24 172.0(10) . . . . no
C21 C22 C23 C24 2.7(12) . . . . no
C21 C22 C23 C28 -171.8(9) . . . . no
C27 C22 C23 Cu1 -127.5(11) . . . . no
Cu1 C22 C23 C28 124.9(9) . . . . no
C28 C23 C24 C25 172.2(9) . . . . no
C28 C23 C24 Cu1 -124.7(9) . . . . no
Cu1 C23 C24 C25 -63.2(8) . . . . no
C22 C23 C24 Cu1 61.1(7) . . . . no
C28 C23 C24 C29 2.4(17) . . . . no
Cu1 C23 C24 C29 127.0(12) . . . . no
C22 C23 C24 C29 -171.8(11) . . . . no
C22 C23 C24 C25 -2.0(12) . . . . no
C29 C24 C25 Cu1 -126.6(12) . . . . no
C29 C24 C25 C30 -3.1(18) . . . . no
C23 C24 C25 C30 -173.1(10) . . . . no
C29 C24 C25 C21 170.5(11) . . . . no
Cu1 C24 C25 C30 123.4(11) . . . . no
C23 C24 C25 C21 0.5(12) . . . . no
C23 C24 C25 Cu1 63.4(7) . . . . no
Cu1 C24 C25 C21 -63.0(8) . . . . no
C36 C31 C35 Cu2 125.1(10) . . . . no
C36 C31 C32 Cu2 -125.4(11) . . . . no
Cu2 C31 C35 C34 63.2(7) . . . . no
Cu2 C31 C32 C33 -62.2(8) . . . . no
C32 C31 C35 C40 173.1(10) . . . . no
Cu2 C31 C32 C37 123.4(12) . . . . no
C35 C31 C32 C37 -175.2(11) . . . . no
Cu2 C31 C35 C40 -125.5(11) . . . . no
C35 C31 C32 Cu2 61.5(7) . . . . no
C36 C31 C32 C33 172.4(10) . . . . no
C36 C31 C32 C37 -2.0(19) . . . . no
C32 C31 C35 C34 1.8(12) . . . . no
C35 C31 C32 C33 -0.8(12) . . . . no
C36 C31 C35 C34 -171.7(10) . . . . no
C36 C31 C35 C40 -0.4(17) . . . . no
C32 C31 C35 Cu2 -61.4(8) . . . . no
C31 C32 C33 Cu2 62.2(8) . . . . no
C37 C32 C33 C34 173.7(11) . . . . no
C37 C32 C33 C38 1.2(18) . . . . no
Cu2 C32 C33 C34 -62.8(8) . . . . no
C37 C32 C33 Cu2 -123.5(12) . . . . no
Cu2 C32 C33 C38 124.7(11) . . . . no
C31 C32 C33 C34 -0.6(12) . . . . no
C31 C32 C33 C38 -173.1(10) . . . . no
C32 C33 C34 C35 1.7(12) . . . . no
Cu2 C33 C34 C35 -60.3(8) . . . . no
C32 C33 C34 C39 -173.1(11) . . . . no
C32 C33 C34 Cu2 62.1(8) . . . . no
Cu2 C33 C34 C39 124.9(11) . . . . no
C38 C33 C34 C39 -1.0(18) . . . . no
C38 C33 C34 Cu2 -125.8(11) . . . . no
C38 C33 C34 C35 173.8(10) . . . . no
Cu2 C34 C35 C40 126.7(11) . . . . no
C39 C34 C35 Cu2 -124.7(10) . . . . no
C39 C34 C35 C31 173.0(10) . . . . no
C33 C34 C35 Cu2 60.1(7) . . . . no
Cu2 C34 C35 C31 -62.3(7) . . . . no
C33 C34 C35 C40 -173.2(10) . . . . no
C39 C34 C35 C40 2.0(17) . . . . no
C33 C34 C35 C31 -2.2(12) . . . . no
C46 C41 C45 Cu3 123.9(11) . . . . no
Cu3 C41 C42 C47 123.1(11) . . . . no
Cu3 C41 C42 C43 -62.4(7) . . . . no
C46 C41 C42 C43 173.1(10) . . . . no
C46 C41 C45 C44 -172.5(10) . . . . no
C46 C41 C42 Cu3 -124.5(11) . . . . no
C46 C41 C45 C50 -1.7(16) . . . . no
C42 C41 C45 Cu3 -62.0(7) . . . . no
C42 C41 C45 C50 172.4(10) . . . . no
C42 C41 C45 C44 1.6(11) . . . . no
C45 C41 C42 C43 -0.8(11) . . . . no
C45 C41 C42 Cu3 61.6(7) . . . . no
Cu3 C41 C45 C50 -125.6(10) . . . . no
C46 C41 C42 C47 -1.4(18) . . . . no
Cu3 C41 C45 C44 63.6(8) . . . . no
C45 C41 C42 C47 -175.3(11) . . . . no
C47 C42 C43 C44 174.3(11) . . . . no
C47 C42 C43 C48 3.6(17) . . . . no
Cu3 C42 C43 C44 -62.2(8) . . . . no
C47 C42 C43 Cu3 -123.5(11) . . . . no
C41 C42 C43 C44 -0.3(12) . . . . no
C41 C42 C43 C48 -171.0(10) . . . . no
C41 C42 C43 Cu3 61.9(7) . . . . no
Cu3 C42 C43 C48 127.1(10) . . . . no
Cu3 C43 C44 C49 123.6(10) . . . . no
C42 C43 C44 Cu3 61.8(8) . . . . no
C48 C43 C44 C45 171.5(11) . . . . no
Cu3 C43 C44 C45 -60.3(8) . . . . no
C48 C43 C44 C49 -4.5(18) . . . . no
C42 C43 C44 C45 1.4(13) . . . . no
C48 C43 C44 Cu3 -128.1(12) . . . . no
C42 C43 C44 C49 -174.6(10) . . . . no
C43 C44 C45 Cu3 61.0(8) . . . . no
C49 C44 C45 C41 174.2(9) . . . . no
C43 C44 C45 C50 -171.8(11) . . . . no
C43 C44 C45 C41 -1.9(13) . . . . no
C49 C44 C45 C50 4.2(18) . . . . no
C49 C44 C45 Cu3 -123.0(10) . . . . no
Cu3 C44 C45 C41 -62.9(7) . . . . no
Cu3 C44 C45 C50 127.2(12) . . . . no
C76 C71 C75 C74 -172.8(10) . . . . no
C75 C71 C72 C73 0.8(12) . . . . no
Cu4 C71 C75 C74 61.2(7) . . . . no
Cu4 C71 C72 C77 125.3(11) . . . . no
C75 C71 C72 C77 -172.9(10) . . . . no
Cu4 C71 C72 C73 -61.1(8) . . . . no
C76 C71 C75 C80 1.6(17) . . . . no
C72 C71 C75 C80 173.4(10) . . . . no
C76 C71 C72 C77 -1.5(18) . . . . no
C75 C71 C72 Cu4 61.9(7) . . . . no
C72 C71 C75 Cu4 -62.2(7) . . . . no
C72 C71 C75 C74 -1.1(11) . . . . no
Cu4 C71 C75 C80 -124.4(10) . . . . no
C76 C71 C72 C73 172.1(11) . . . . no
C76 C71 C75 Cu4 126.0(11) . . . . no
C76 C71 C72 Cu4 -126.8(11) . . . . no
C71 C72 C73 C74 -0.2(12) . . . . no
C71 C72 C73 C78 -175.2(10) . . . . no
C77 C72 C73 C78 -1.7(17) . . . . no
C77 C72 C73 Cu4 -125.4(11) . . . . no
Cu4 C72 C73 C74 -61.2(7) . . . . no
Cu4 C72 C73 C78 123.7(10) . . . . no
C71 C72 C73 Cu4 61.0(8) . . . . no
C77 C72 C73 C74 173.4(10) . . . . no
C72 C73 C74 C75 -0.5(12) . . . . no
Cu4 C73 C74 C79 125.8(11) . . . . no
C78 C73 C74 Cu4 -122.6(10) . . . . no
C72 C73 C74 Cu4 62.2(7) . . . . no
C78 C73 C74 C75 174.7(9) . . . . no
C78 C73 C74 C79 3.2(17) . . . . no
Cu4 C73 C74 C75 -62.7(7) . . . . no
C72 C73 C74 C79 -172.0(11) . . . . no
C79 C74 C75 C71 172.6(11) . . . . no
C79 C74 C75 C80 -1.6(18) . . . . no
C73 C74 C75 Cu4 62.6(7) . . . . no
C73 C74 C75 C71 1.0(11) . . . . no
Cu4 C74 C75 C80 124.2(10) . . . . no
C79 C74 C75 Cu4 -125.8(12) . . . . no
C73 C74 C75 C80 -173.2(10) . . . . no
Cu4 C74 C75 C71 -61.6(7) . . . . no
Cu5 C81 C85 C84 62.2(9) . . . . no
C86 C81 C82 C83 172.9(13) . . . . no
C82 C81 C85 C90 172.7(12) . . . . no
C86 C81 C85 Cu5 125.5(13) . . . . no
C86 C81 C85 C84 -172.3(12) . . . . no
C86 C81 C82 C87 1(2) . . . . no
C85 C81 C82 C87 -170.6(12) . . . . no
C86 C81 C82 Cu5 -127.1(13) . . . . no
Cu5 C81 C82 C87 128.2(12) . . . . no
C82 C81 C85 C84 -0.6(15) . . . . no
Cu5 C81 C85 C90 -124.5(13) . . . . no
C85 C81 C82 Cu5 61.3(9) . . . . no
C85 C81 C82 C83 1.3(15) . . . . no
C86 C81 C85 C90 1(2) . . . . no
C82 C81 C85 Cu5 -62.8(9) . . . . no
Cu5 C81 C82 C83 -60.0(9) . . . . no
Cu5 C82 C83 C84 -62.2(9) . . . . no
C81 C82 C83 C88 -171.3(13) . . . . no
C87 C82 C83 C88 1(2) . . . . no
C81 C82 C83 C84 -1.5(15) . . . . no
Cu5 C82 C83 C88 128.0(14) . . . . no
C81 C82 C83 Cu5 60.7(9) . . . . no
C87 C82 C83 Cu5 -127.5(13) . . . . no
C87 C82 C83 C84 170.4(12) . . . . no
Cu5 C83 C84 C85 -63.5(8) . . . . no
C88 C83 C84 C85 170.9(13) . . . . no
C88 C83 C84 C89 -5(2) . . . . no
Cu5 C83 C84 C89 121.0(12) . . . . no
C82 C83 C84 Cu5 64.6(9) . . . . no
C82 C83 C84 C85 1.1(14) . . . . no
C82 C83 C84 C89 -174.4(12) . . . . no
C88 C83 C84 Cu5 -125.6(14) . . . . no
C89 C84 C85 C81 174.4(13) . . . . no
Cu5 C84 C85 C81 -63.2(9) . . . . no
C89 C84 C85 C90 1(2) . . . . no
Cu5 C84 C85 C90 123.8(14) . . . . no
C83 C84 C85 Cu5 62.9(8) . . . . no
C83 C84 C85 C90 -173.4(13) . . . . no
C83 C84 C85 C81 -0.3(14) . . . . no
C89 C84 C85 Cu5 -122.5(15) . . . . no
C95 C91 C92 C93 -2.1(13) . . . . no
C92 C91 C95 Cu6 -60.9(8) . . . . no
C95 C91 C92 Cu6 61.5(8) . . . . no
C96 C91 C95 Cu6 123.9(13) . . . . no
C95 C91 C92 C97 -171.8(11) . . . . no
C96 C91 C92 Cu6 -122.9(11) . . . . no
C96 C91 C92 C93 173.5(11) . . . . no
C96 C91 C95 C94 -173.4(11) . . . . no
C92 C91 C95 C100 173.6(11) . . . . no
Cu6 C91 C92 C97 126.7(11) . . . . no
Cu6 C91 C92 C93 -63.6(8) . . . . no
C92 C91 C95 C94 1.8(13) . . . . no
C96 C91 C95 C100 -2(2) . . . . no
Cu6 C91 C95 C94 62.7(8) . . . . no
C96 C91 C92 C97 3.8(18) . . . . no
Cu6 C91 C95 C100 -125.6(12) . . . . no
Cu6 C92 C93 C98 127.0(11) . . . . no
C97 C92 C93 C98 -0.8(19) . . . . no
C97 C92 C93 Cu6 -127.8(12) . . . . no
C97 C92 C93 C94 171.0(11) . . . . no
Cu6 C92 C93 C94 -61.3(8) . . . . no
C91 C92 C93 C94 1.6(13) . . . . no
C91 C92 C93 C98 -170.2(10) . . . . no
C91 C92 C93 Cu6 62.9(8) . . . . no
Cu6 C93 C94 C99 126.4(12) . . . . no
C98 C93 C94 C99 -1.4(19) . . . . no
C98 C93 C94 C95 171.2(11) . . . . no
Cu6 C93 C94 C95 -61.0(8) . . . . no
C92 C93 C94 C95 -0.5(13) . . . . no
C92 C93 C94 C99 -173.1(11) . . . . no
C98 C93 C94 Cu6 -127.8(12) . . . . no
C92 C93 C94 Cu6 60.6(8) . . . . no
C99 C94 C95 C91 172.1(10) . . . . no
C93 C94 C95 C100 -172.5(12) . . . . no
C99 C94 C95 Cu6 -124.8(11) . . . . no
C93 C94 C95 C91 -0.9(14) . . . . no
Cu6 C94 C95 C100 125.4(12) . . . . no
C99 C94 C95 C100 0.6(19) . . . . no
Cu6 C94 C95 C91 -63.1(8) . . . . no
C93 C94 C95 Cu6 62.2(8) . . . . no
C175 C171 C172 C173 0.1(13) . . . . no
C175 C171 C172 C177 -173.6(12) . . . . no
C176 C171 C172 C173 175.2(11) . . . . no
Cu10 C171 C172 C173 -61.8(8) . . . . no
Cu10 C171 C172 C177 124.5(12) . . . . no
C176 C171 C172 Cu10 -123.1(12) . . . . no
C176 C171 C175 C174 -174.0(12) . . . . no
C176 C171 C172 C177 1.5(19) . . . . no
C175 C171 C172 Cu10 61.8(9) . . . . no
Cu10 C171 C175 C180 -127.6(11) . . . . no
C172 C171 C175 C174 0.6(15) . . . . no
C172 C171 C175 C180 170.7(11) . . . . no
C176 C171 C175 Cu10 123.7(14) . . . . no
C176 C171 C175 C180 -4(2) . . . . no
Cu10 C171 C175 C174 62.4(9) . . . . no
C172 C171 C175 Cu10 -61.7(8) . . . . no
C177 C172 C173 C178 -0.1(19) . . . . no
C171 C172 C173 Cu10 62.4(8) . . . . no
C177 C172 C173 Cu10 -123.8(12) . . . . no
C177 C172 C173 C174 173.1(11) . . . . no
C171 C172 C173 C178 -173.9(11) . . . . no
C171 C172 C173 C174 -0.7(13) . . . . no
Cu10 C172 C173 C178 123.7(12) . . . . no
Cu10 C172 C173 C174 -63.1(8) . . . . no
C178 C173 C174 C175 174.5(12) . . . . no
Cu10 C173 C174 C175 -61.5(8) . . . . no
C172 C173 C174 C179 -171.1(11) . . . . no
C178 C173 C174 C179 2.3(19) . . . . no
C172 C173 C174 C175 1.1(13) . . . . no
C178 C173 C174 Cu10 -124.1(13) . . . . no
C172 C173 C174 Cu10 62.6(8) . . . . no
Cu10 C173 C174 C179 126.3(11) . . . . no
C179 C174 C175 C171 170.9(11) . . . . no
C179 C174 C175 C180 2(2) . . . . no
Cu10 C174 C175 C171 -61.9(9) . . . . no
C173 C174 C175 Cu10 60.8(8) . . . . no
Cu10 C174 C175 C180 129.0(14) . . . . no
C173 C174 C175 C171 -1.1(14) . . . . no
C173 C174 C175 C180 -170.2(12) . . . . no
C179 C174 C175 Cu10 -127.2(12) . . . . no
C186 C181 C185 C190 0(2) . . . . no
C186 C181 C182 Cu11 -124.5(11) . . . . no
C185 C181 C182 C183 -0.4(12) . . . . no
Cu11 C181 C182 C187 124.6(11) . . . . no
Cu11 C181 C185 C190 -125.8(13) . . . . no
C185 C181 C182 Cu11 62.7(8) . . . . no
C186 C181 C182 C187 0.2(17) . . . . no
C185 C181 C182 C187 -172.7(10) . . . . no
C186 C181 C182 C183 172.5(11) . . . . no
C186 C181 C185 Cu11 125.9(11) . . . . no
Cu11 C181 C182 C183 -63.1(7) . . . . no
C186 C181 C185 C184 -174.7(11) . . . . no
C182 C181 C185 C190 172.8(12) . . . . no
C182 C181 C185 Cu11 -61.4(7) . . . . no
Cu11 C181 C185 C184 59.5(8) . . . . no
C182 C181 C185 C184 -1.9(12) . . . . no
C181 C182 C183 C188 -173.0(11) . . . . no
C181 C182 C183 C184 2.6(12) . . . . no
C181 C182 C183 Cu11 62.9(7) . . . . no
C187 C182 C183 C188 -1.2(18) . . . . no
Cu11 C182 C183 C184 -60.3(8) . . . . no
Cu11 C182 C183 C188 124.1(11) . . . . no
C187 C182 C183 Cu11 -125.2(12) . . . . no
C187 C182 C183 C184 174.5(11) . . . . no
C182 C183 C184 Cu11 60.2(8) . . . . no
C188 C183 C184 C189 3.2(19) . . . . no
C188 C183 C184 Cu11 -124.3(11) . . . . no
Cu11 C183 C184 C189 127.5(13) . . . . no
C188 C183 C184 C185 171.8(11) . . . . no
C182 C183 C184 C189 -172.4(11) . . . . no
C182 C183 C184 C185 -3.8(13) . . . . no
Cu11 C183 C184 C185 -63.9(8) . . . . no
Cu11 C184 C185 C181 -60.0(8) . . . . no
C183 C184 C185 C190 -171.5(12) . . . . no
C189 C184 C185 Cu11 -127.8(12) . . . . no
C183 C184 C185 Cu11 63.4(8) . . . . no
C189 C184 C185 C190 -2.6(19) . . . . no
Cu11 C184 C185 C190 125.2(12) . . . . no
C189 C184 C185 C181 172.3(11) . . . . no
C183 C184 C185 C181 3.4(13) . . . . no
C196 C191 C195 C194 -172.9(10) . . . . no
Cu12 C191 C195 C200 -128.9(12) . . . . no
C195 C191 C192 C193 -1.9(13) . . . . no
C196 C191 C192 C197 0.4(19) . . . . no
C196 C191 C192 Cu12 -124.4(12) . . . . no
C192 C191 C195 Cu12 -59.9(8) . . . . no
C195 C191 C192 C197 -174.5(11) . . . . no
C196 C191 C195 Cu12 124.9(11) . . . . no
Cu12 C191 C195 C194 62.2(8) . . . . no
Cu12 C191 C192 C193 -62.7(8) . . . . no
Cu12 C191 C192 C197 124.8(12) . . . . no
C195 C191 C192 Cu12 60.8(8) . . . . no
C196 C191 C192 C193 173.0(11) . . . . no
C196 C191 C195 C200 -4.0(18) . . . . no
C192 C191 C195 C194 2.4(13) . . . . no
C192 C191 C195 C200 171.3(11) . . . . no
C197 C192 C193 C194 172.3(12) . . . . no
Cu12 C192 C193 C198 123.4(13) . . . . no
C191 C192 C193 Cu12 63.3(8) . . . . no
Cu12 C192 C193 C194 -62.6(8) . . . . no
C197 C192 C193 Cu12 -125.1(14) . . . . no
C197 C192 C193 C198 -2(2) . . . . no
C191 C192 C193 C198 -173.3(12) . . . . no
C191 C192 C193 C194 0.7(13) . . . . no
C192 C193 C194 C199 -171.6(10) . . . . no
C192 C193 C194 C195 0.8(13) . . . . no
C198 C193 C194 C199 2.4(19) . . . . no
C198 C193 C194 C195 174.7(12) . . . . no
C198 C193 C194 Cu12 -123.5(13) . . . . no
Cu12 C193 C194 C195 -61.7(8) . . . . no
C192 C193 C194 Cu12 62.5(8) . . . . no
Cu12 C193 C194 C199 125.9(11) . . . . no
C193 C194 C195 Cu12 61.3(8) . . . . no
Cu12 C194 C195 C191 -63.2(8) . . . . no
C199 C194 C195 C191 169.9(11) . . . . no
Cu12 C194 C195 C200 127.7(11) . . . . no
C199 C194 C195 Cu12 -126.9(12) . . . . no
C193 C194 C195 C191 -2.0(13) . . . . no
C199 C194 C195 C200 0.8(19) . . . . no
C193 C194 C195 C200 -171.1(11) . . . . no
Zn1 C1 C5 C4 63.5(10) . . . . no
Zn1 C1 C5 C10 -117.2(12) . . . . no
C6 C1 C5 C4 -177.8(12) . . . . no
C5 C1 C2 Zn1 64.4(9) . . . . no
C5 C1 C2 C3 1.8(15) . . . . no
C5 C1 C2 C7 -176.9(13) . . . . no
Zn1 C1 C2 C7 118.7(14) . . . . no
C6 C1 C5 C10 2(2) . . . . no
C6 C1 C5 Zn1 118.7(12) . . . . no
C2 C1 C5 C4 -2.0(15) . . . . no
C6 C1 C2 C7 -1(2) . . . . no
Zn1 C1 C2 C3 -62.6(10) . . . . no
C6 C1 C2 C3 177.6(12) . . . . no
C2 C1 C5 C10 177.3(12) . . . . no
C2 C1 C5 Zn1 -65.5(9) . . . . no
C6 C1 C2 Zn1 -119.8(13) . . . . no
C1 C2 C3 C4 -0.9(16) . . . . no
Zn1 C2 C3 C8 121.9(14) . . . . no
C7 C2 C3 C8 3(2) . . . . no
C1 C2 C3 C8 -176.3(13) . . . . no
C7 C2 C3 Zn1 -119.4(13) . . . . no
C1 C2 C3 Zn1 61.8(10) . . . . no
C7 C2 C3 C4 177.9(13) . . . . no
Zn1 C2 C3 C4 -62.7(10) . . . . no
C8 C3 C4 C9 -1(2) . . . . no
C8 C3 C4 C5 175.3(13) . . . . no
Zn1 C3 C4 C5 -63.6(10) . . . . no
Zn1 C3 C4 C9 120.4(15) . . . . no
C2 C3 C4 Zn1 63.2(10) . . . . no
C2 C3 C4 C9 -176.4(14) . . . . no
C2 C3 C4 C5 -0.4(17) . . . . no
C8 C3 C4 Zn1 -121.2(13) . . . . no
C3 C4 C5 Zn1 63.9(10) . . . . no
C9 C4 C5 Zn1 -119.9(14) . . . . no
C3 C4 C5 C10 -177.8(14) . . . . no
C9 C4 C5 C1 177.7(13) . . . . no
C9 C4 C5 C10 -2(2) . . . . no
Zn1 C4 C5 C10 118.3(15) . . . . no
Zn1 C4 C5 C1 -62.5(9) . . . . no
C3 C4 C5 C1 1.5(16) . . . . no
C15 C11 C12 C13 -2.7(14) . . . . no
C16 C11 C15 C14 -176.4(13) . . . . no
C16 C11 C15 C20 -2(2) . . . . no
C16 C11 C15 Zn4 119.9(14) . . . . no
C16 C11 C12 C17 2.5(19) . . . . no
Zn4 C11 C15 C14 63.7(8) . . . . no
Zn4 C11 C12 C17 121.4(11) . . . . no
C15 C11 C12 Zn4 62.6(9) . . . . no
Zn4 C11 C15 C20 -121.7(13) . . . . no
C12 C11 C15 Zn4 -61.6(9) . . . . no
C16 C11 C12 Zn4 -118.9(13) . . . . no
C16 C11 C12 C13 175.8(12) . . . . no
Zn4 C11 C12 C13 -65.3(7) . . . . no
C15 C11 C12 C17 -176.1(11) . . . . no
C12 C11 C15 C14 2.1(14) . . . . no
C12 C11 C15 C20 176.7(12) . . . . no
C17 C12 C13 C14 175.3(11) . . . . no
C11 C12 C13 Zn4 65.1(8) . . . . no
C17 C12 C13 C18 -2.8(18) . . . . no
C11 C12 C13 C18 -175.8(11) . . . . no
C17 C12 C13 Zn4 -121.9(11) . . . . no
Zn4 C12 C13 C18 119.1(11) . . . . no
Zn4 C12 C13 C14 -62.8(8) . . . . no
C11 C12 C13 C14 2.3(13) . . . . no
C18 C13 C14 Zn4 -120.3(11) . . . . no
Zn4 C13 C14 C15 -62.7(8) . . . . no
Zn4 C13 C14 C19 119.9(13) . . . . no
C18 C13 C14 C19 0(2) . . . . no
C18 C13 C14 C15 177.0(11) . . . . no
C12 C13 C14 C19 -178.4(12) . . . . no
C12 C13 C14 C15 -1.0(13) . . . . no
C12 C13 C14 Zn4 61.7(7) . . . . no
C13 C14 C15 C20 -174.9(13) . . . . no
C19 C14 C15 C11 177.0(12) . . . . no
C19 C14 C15 C20 3(2) . . . . no
Zn4 C14 C15 C11 -63.5(9) . . . . no
C13 C14 C15 C11 -0.6(13) . . . . no
C13 C14 C15 Zn4 62.9(8) . . . . no
Zn4 C14 C15 C20 122.3(14) . . . . no
C19 C14 C15 Zn4 -119.5(12) . . . . no
Zn5 C51 C52 C53 -63.4(7) . . . . no
C56 C51 C52 C53 178.5(11) . . . . no
C56 C51 C52 Zn5 -118.1(11) . . . . no
C56 C51 C55 C54 -178.2(12) . . . . no
C52 C51 C55 Zn5 -62.0(7) . . . . no
Zn5 C51 C52 C57 119.6(12) . . . . no
C56 C51 C55 Zn5 118.7(12) . . . . no
C55 C51 C52 C53 -0.9(12) . . . . no
C56 C51 C55 C60 -1(2) . . . . no
C55 C51 C52 C57 -178.0(11) . . . . no
Zn5 C51 C55 C60 -119.4(12) . . . . no
Zn5 C51 C55 C54 63.2(8) . . . . no
C56 C51 C52 C57 1.5(18) . . . . no
C52 C51 C55 C54 1.2(12) . . . . no
C52 C51 C55 C60 178.6(11) . . . . no
C55 C51 C52 Zn5 62.5(8) . . . . no
C51 C52 C53 Zn5 63.6(7) . . . . no
C57 C52 C53 C58 -0.8(18) . . . . no
Zn5 C52 C53 C58 118.6(10) . . . . no
Zn5 C52 C53 C54 -63.3(8) . . . . no
C51 C52 C53 C54 0.3(12) . . . . no
C57 C52 C53 C54 177.3(12) . . . . no
C57 C52 C53 Zn5 -119.4(12) . . . . no
C51 C52 C53 C58 -177.8(10) . . . . no
C52 C53 C54 C59 -178.2(11) . . . . no
Zn5 C53 C54 C55 -62.8(8) . . . . no
C52 C53 C54 C55 0.4(13) . . . . no
C58 C53 C54 C55 178.5(10) . . . . no
Zn5 C53 C54 C59 118.6(12) . . . . no
C58 C53 C54 C59 0.0(18) . . . . no
C52 C53 C54 Zn5 63.2(8) . . . . no
C58 C53 C54 Zn5 -118.7(10) . . . . no
Zn5 C54 C55 C51 -63.8(8) . . . . no
Zn5 C54 C55 C60 118.8(13) . . . . no
C53 C54 C55 Zn5 62.8(8) . . . . no
C53 C54 C55 C60 -178.4(12) . . . . no
C59 C54 C55 C60 0(2) . . . . no
C59 C54 C55 C51 177.6(11) . . . . no
C53 C54 C55 C51 -1.0(13) . . . . no
C59 C54 C55 Zn5 -118.7(12) . . . . no
Zn8 C61 C65 C64 63.2(9) . . . . no
Zn8 C61 C62 C63 -63.4(9) . . . . no
Zn8 C61 C62 C67 118.3(11) . . . . no
C65 C61 C62 Zn8 65.1(8) . . . . no
C65 C61 C62 C63 1.7(13) . . . . no
C66 C61 C62 C63 175.9(12) . . . . no
C66 C61 C65 C64 -175.5(11) . . . . no
C66 C61 C65 Zn8 121.3(11) . . . . no
C66 C61 C65 C70 1.6(19) . . . . no
C62 C61 C65 Zn8 -64.2(8) . . . . no
C66 C61 C62 C67 -2.4(19) . . . . no
Zn8 C61 C65 C70 -119.7(13) . . . . no
C62 C61 C65 C70 176.1(12) . . . . no
C65 C61 C62 C67 -176.6(11) . . . . no
C66 C61 C62 Zn8 -120.8(12) . . . . no
C62 C61 C65 C64 -1.0(13) . . . . no
C67 C62 C63 Zn8 -119.2(15) . . . . no
C61 C62 C63 C64 -1.7(14) . . . . no
C61 C62 C63 Zn8 62.8(8) . . . . no
C67 C62 C63 C68 3(2) . . . . no
C61 C62 C63 C68 -175.4(12) . . . . no
C67 C62 C63 C64 176.3(13) . . . . no
Zn8 C62 C63 C68 121.8(13) . . . . no
Zn8 C62 C63 C64 -64.5(9) . . . . no
C62 C63 C64 C69 -175.9(11) . . . . no
C68 C63 C64 Zn8 -123.1(15) . . . . no
C62 C63 C64 C65 1.1(15) . . . . no
Zn8 C63 C64 C69 120.4(12) . . . . no
C68 C63 C64 C65 174.2(13) . . . . no
Zn8 C63 C64 C65 -62.7(9) . . . . no
C68 C63 C64 C69 -3(2) . . . . no
C62 C63 C64 Zn8 63.7(9) . . . . no
C63 C64 C65 Zn8 61.6(9) . . . . no
C63 C64 C65 C70 -177.2(12) . . . . no
Zn8 C64 C65 C61 -61.6(8) . . . . no
C69 C64 C65 Zn8 -121.6(13) . . . . no
C63 C64 C65 C61 0.0(14) . . . . no
Zn8 C64 C65 C70 121.2(13) . . . . no
C69 C64 C65 C70 0(2) . . . . no
C69 C64 C65 C61 176.8(11) . . . . no
Zn9 C101 C102 C107 119.4(11) . . . . no
Zn9 C101 C102 C103 -63.2(8) . . . . no
C106 C101 C102 Zn9 -119.2(12) . . . . no
C106 C101 C102 C103 177.6(11) . . . . no
C106 C101 C105 C110 3(2) . . . . no
C106 C101 C105 C104 -177.9(11) . . . . no
C105 C101 C102 C103 0.3(13) . . . . no
C105 C101 C102 C107 -177.1(10) . . . . no
C102 C101 C105 Zn9 -62.6(8) . . . . no
C102 C101 C105 C104 -0.6(14) . . . . no
C106 C101 C105 Zn9 120.1(12) . . . . no
Zn9 C101 C105 C110 -116.8(13) . . . . no
C106 C101 C102 C107 0.2(18) . . . . no
C105 C101 C102 Zn9 63.5(9) . . . . no
C102 C101 C105 C110 -179.4(11) . . . . no
Zn9 C101 C105 C104 62.0(9) . . . . no
C107 C102 C103 C108 -1.4(17) . . . . no
C101 C102 C103 C104 0.2(13) . . . . no
Zn9 C102 C103 C108 117.2(11) . . . . no
C107 C102 C103 Zn9 -118.6(10) . . . . no
C101 C102 C103 Zn9 63.9(8) . . . . no
C107 C102 C103 C104 177.7(10) . . . . no
C101 C102 C103 C108 -178.9(10) . . . . no
Zn9 C102 C103 C104 -63.7(8) . . . . no
Zn9 C103 C104 C109 118.5(12) . . . . no
C102 C103 C104 C105 -0.5(13) . . . . no
Zn9 C103 C104 C105 -63.7(9) . . . . no
C108 C103 C104 C105 178.5(12) . . . . no
C102 C103 C104 C109 -178.3(11) . . . . no
C102 C103 C104 Zn9 63.2(8) . . . . no
C108 C103 C104 Zn9 -117.8(12) . . . . no
C108 C103 C104 C109 1(2) . . . . no
C109 C104 C105 C110 -3(2) . . . . no
C103 C104 C105 C101 0.7(14) . . . . no
C103 C104 C105 Zn9 62.6(8) . . . . no
C109 C104 C105 C101 178.4(11) . . . . no
Zn9 C104 C105 C110 117.0(13) . . . . no
C109 C104 C105 Zn9 -119.7(12) . . . . no
C103 C104 C105 C110 179.5(12) . . . . no
Zn9 C104 C105 C101 -61.9(9) . . . . no
Zn12 C111 C112 C113 -63.8(8) . . . . no
C115 C111 C112 Zn12 63.2(8) . . . . no
C116 C111 C112 C113 176.2(12) . . . . no
C116 C111 C112 C117 2(2) . . . . no
Zn12 C111 C112 C117 121.6(12) . . . . no
Zn12 C111 C115 C114 62.5(8) . . . . no
Zn12 C111 C115 C120 -120.0(12) . . . . no
C112 C111 C115 Zn12 -62.2(8) . . . . no
C112 C111 C115 C114 0.2(13) . . . . no
C112 C111 C115 C120 177.8(12) . . . . no
C116 C111 C115 Zn12 120.8(13) . . . . no
C116 C111 C115 C114 -176.7(12) . . . . no
C116 C111 C115 C120 1(2) . . . . no
C116 C111 C112 Zn12 -120.0(13) . . . . no
C115 C111 C112 C113 -0.6(13) . . . . no
C115 C111 C112 C117 -175.3(11) . . . . no
Zn12 C112 C113 C114 -63.1(7) . . . . no
C117 C112 C113 Zn12 -121.6(12) . . . . no
C117 C112 C113 C114 175.3(11) . . . . no
C117 C112 C113 C118 -1.5(19) . . . . no
C111 C112 C113 Zn12 63.9(8) . . . . no
C111 C112 C113 C114 0.8(13) . . . . no
Zn12 C112 C113 C118 120.1(11) . . . . no
C111 C112 C113 C118 -176.0(11) . . . . no
C112 C113 C114 Zn12 62.7(8) . . . . no
C112 C113 C114 C115 -0.6(12) . . . . no
C112 C113 C114 C119 -176.9(11) . . . . no
C118 C113 C114 Zn12 -120.5(11) . . . . no
Zn12 C113 C114 C115 -63.3(8) . . . . no
C118 C113 C114 C119 -0.1(18) . . . . no
Zn12 C113 C114 C119 120.4(11) . . . . no
C118 C113 C114 C115 176.2(11) . . . . no
Zn12 C114 C115 C111 -62.2(8) . . . . no
Zn12 C114 C115 C120 120.3(12) . . . . no
C119 C114 C115 C120 -1.0(19) . . . . no
C113 C114 C115 Zn12 62.4(8) . . . . no
C119 C114 C115 C111 176.5(11) . . . . no
C119 C114 C115 Zn12 -121.3(11) . . . . no
C113 C114 C115 C111 0.2(13) . . . . no
C113 C114 C115 C120 -177.3(11) . . . . no
Zn13 C151 C152 C153 -62.9(8) . . . . no
C155 C151 C152 C157 -176.7(13) . . . . no
C156 C151 C152 Zn13 -120.5(12) . . . . no
C156 C151 C152 C153 176.6(12) . . . . no
C156 C151 C152 C157 -2(2) . . . . no
Zn13 C151 C152 C157 119.1(14) . . . . no
C155 C151 C152 Zn13 64.2(9) . . . . no
C155 C151 C152 C153 1.3(13) . . . . no
C152 C151 C155 Zn13 -61.8(8) . . . . no
C152 C151 C155 C154 -1.1(14) . . . . no
C152 C151 C155 C160 178.6(12) . . . . no
C156 C151 C155 Zn13 123.2(13) . . . . no
C156 C151 C155 C154 -176.2(12) . . . . no
C156 C151 C155 C160 4(2) . . . . no
Zn13 C151 C155 C154 60.7(8) . . . . no
Zn13 C151 C155 C160 -119.7(12) . . . . no
C151 C152 C153 Zn13 63.6(8) . . . . no
C151 C152 C153 C154 -1.0(13) . . . . no
C151 C152 C153 C158 -176.7(14) . . . . no
C157 C152 C153 Zn13 -118.1(12) . . . . no
C157 C152 C153 C154 177.3(12) . . . . no
Zn13 C152 C153 C154 -64.6(9) . . . . no
Zn13 C152 C153 C158 119.6(15) . . . . no
C157 C152 C153 C158 2(2) . . . . no
C152 C153 C154 C159 -176.6(11) . . . . no
C158 C153 C154 Zn13 -121.6(14) . . . . no
C152 C153 C154 C155 0.4(14) . . . . no
C158 C153 C154 C159 -1(2) . . . . no
Zn13 C153 C154 C159 121.1(12) . . . . no
C158 C153 C154 C155 176.5(13) . . . . no
Zn13 C153 C154 C155 -61.9(9) . . . . no
C152 C153 C154 Zn13 62.3(8) . . . . no
Zn13 C154 C155 C151 -60.2(9) . . . . no
C159 C154 C155 Zn13 -122.2(11) . . . . no
C159 C154 C155 C151 177.5(11) . . . . no
C159 C154 C155 C160 -2.1(19) . . . . no
Zn13 C154 C155 C160 120.1(13) . . . . no
C153 C154 C155 Zn13 60.7(9) . . . . no
C153 C154 C155 C151 0.4(14) . . . . no
C153 C154 C155 C160 -179.2(12) . . . . no
Zn16 C161 C162 C163 -64.5(7) . . . . no
Zn16 C161 C162 C167 123.7(11) . . . . no
C165 C161 C162 Zn16 61.4(8) . . . . no
C165 C161 C162 C163 -3.1(13) . . . . no
C165 C161 C162 C167 -174.8(10) . . . . no
C166 C161 C162 Zn16 -118.8(12) . . . . no
C166 C161 C162 C163 176.7(11) . . . . no
C166 C161 C162 C167 4.9(18) . . . . no
Zn16 C161 C165 C164 64.2(8) . . . . no
Zn16 C161 C165 C170 -123.8(12) . . . . no
C162 C161 C165 Zn16 -61.3(8) . . . . no
C162 C161 C165 C164 2.9(13) . . . . no
C162 C161 C165 C170 174.9(11) . . . . no
C166 C161 C165 Zn16 118.9(12) . . . . no
C166 C161 C165 C164 -176.9(11) . . . . no
C166 C161 C165 C170 -5(2) . . . . no
Zn16 C162 C163 C164 -61.7(8) . . . . no
Zn16 C162 C163 C168 117.1(11) . . . . no
C161 C162 C163 Zn16 63.8(7) . . . . no
C161 C162 C163 C164 2.0(13) . . . . no
C161 C162 C163 C168 -179.1(11) . . . . no
C167 C162 C163 Zn16 -124.5(11) . . . . no
C167 C162 C163 C164 173.8(10) . . . . no
C167 C162 C163 C168 -7.3(18) . . . . no
Zn16 C163 C164 C165 -61.1(8) . . . . no
Zn16 C163 C164 C169 120.6(13) . . . . no
C162 C163 C164 Zn16 60.8(8) . . . . no
C162 C163 C164 C165 -0.3(13) . . . . no
C162 C163 C164 C169 -178.6(12) . . . . no
C168 C163 C164 Zn16 -118.0(12) . . . . no
C168 C163 C164 C165 -179.2(11) . . . . no
C168 C163 C164 C169 3(2) . . . . no
Zn16 C164 C165 C161 -64.3(8) . . . . no
Zn16 C164 C165 C170 123.4(12) . . . . no
C163 C164 C165 Zn16 62.7(8) . . . . no
C163 C164 C165 C161 -1.6(13) . . . . no
C163 C164 C165 C170 -173.9(11) . . . . no
C169 C164 C165 Zn16 -119.0(12) . . . . no
C169 C164 C165 C161 176.7(12) . . . . no
C169 C164 C165 C170 4.4(19) . . . . no

# Loop Mechanism for Extra Tables(s)

#loop_
#_publ_manuscript_incl_extra_item
#'_geom_extra_tableA_col_1'
#'_geom_extra_tableA_col_2'
#'_geom_extra_tableA_col_3'
#'_geom_extra_table_head_A'
#'_geom_table_footnote_A'
#'_geom_extra_tableB_col_1'
#'_geom_extra_tableB_col_2'
#'_geom_extra_tableB_col_3'
#'_geom_extra_table_head_B'
#'_geom_table_footnote_B'


#
#loop_
#_geom_extra_tableA_col_1
#_geom_extra_tableA_col_2
#_geom_extra_tableA_col_3
# ? ? ?


#
#loop_
#_geom_extra_tableB_col_1
#_geom_extra_tableB_col_2
#_geom_extra_tableB_col_3
# ? ? ?


#
#_geom_table_footnote_A
#;
# ?
#;


#
#_geom_table_footnote_B
#;
# ?
#;


#
#_geom_table_footnote_A
#;
# ?
#;


#
#_geom_table_footnote_B
#;
# ?
#;

