# Electronic Supplementary Material (ESI) for Nanoscale.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_CuTBT_new_a
_database_code_depnum_ccdc_archive 'CCDC 2242226'
loop_
_audit_author_name
_audit_author_address
'Sukhendu Mandal'
;IISERTVM
India
;
_audit_update_record             
;
2023-06-10 deposited with the CCDC.	2024-01-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C243 H359 B2 Cl21 Cu58 F8 P8 S24'
_chemical_formula_weight         8900.87

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0034 0.0017 '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 0.0014 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1507 0.1611 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3234 1.2742 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0180 0.0106 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1041 0.0961 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1265 0.1256 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   24.596(5)
_cell_length_b                   28.305(6)
_cell_length_c                   29.247(6)
_cell_angle_alpha                64.888(8)
_cell_angle_beta                 81.085(9)
_cell_angle_gamma                81.878(9)
_cell_volume                     18149(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    193059
_cell_measurement_theta_min      0.852
_cell_measurement_theta_max      24.000

_exptl_crystal_description       Plate-like
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.629
_exptl_crystal_F_000             8884
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.095
_exptl_crystal_size_mid          0.048
_exptl_crystal_size_min          0.028
_exptl_absorpt_coefficient_mu    3.679
_shelx_estimated_absorpt_T_min   0.721
_shelx_estimated_absorpt_T_max   0.904
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            193059
_diffrn_reflns_av_unetI/netI     0.5211
_diffrn_reflns_av_R_equivalents  0.4288
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         0.852
_diffrn_reflns_theta_max         24.000
_diffrn_reflns_theta_full        24.000
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             56494
_reflns_number_gt                12945
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker SAINT'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker APEX2'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Mercury (Macrae et al. , 2008)'
_computing_publication_material  'WINZX (Farrugia, 2014) and PLATON(Spek, 2009)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1874P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         56494
_refine_ls_number_parameters     3086
_refine_ls_number_restraints     5490
_refine_ls_R_factor_all          0.3605
_refine_ls_R_factor_gt           0.1233
_refine_ls_wR_factor_ref         0.4415
_refine_ls_wR_factor_gt          0.2983
_refine_ls_goodness_of_fit_ref   0.912
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.029
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl Cl 0.1699(5) 0.5306(5) 0.5308(5) 0.133(5) Uani 1 1 d . . . . .
C0A0 C -0.1187(11) 0.7066(11) 0.6478(10) 0.074(2) Uani 1 1 d D U . . .
H0AA H -0.122949 0.684136 0.630850 0.111 Uiso 1 1 calc R U . . .
H0AB H -0.111196 0.741676 0.622211 0.111 Uiso 1 1 calc R U . . .
H0AC H -0.152826 0.708751 0.669389 0.111 Uiso 1 1 calc R U . . .
C0A9 C 0.3914(15) 0.5331(14) 1.1658(11) 0.131(9) Uani 1 1 d D U . . .
H0AM H 0.411049 0.559731 1.167938 0.196 Uiso 1 1 calc R U . . .
H0AN H 0.413229 0.499194 1.178630 0.196 Uiso 1 1 calc R U . . .
H0AO H 0.355472 0.530402 1.186188 0.196 Uiso 1 1 calc R U . . .
C0AC C 0.3129(10) 0.8495(10) 0.5966(8) 0.103(10) Uani 1 1 d D U . . .
C0AD C 0.5500(10) 0.6255(9) 0.9930(8) 0.071(3) Uani 1 1 d D U . . .
H0AP H 0.535755 0.650970 1.007454 0.106 Uiso 1 1 calc R U . . .
H0AQ H 0.582635 0.605014 1.009262 0.106 Uiso 1 1 calc R U . . .
H0AR H 0.521458 0.602058 0.998911 0.106 Uiso 1 1 calc R U . . .
C0AE C 0.2760(11) 0.8325(11) 1.1701(10) 0.072(2) Uani 1 1 d D U . . .
H0AS H 0.251314 0.819753 1.201717 0.107 Uiso 1 1 calc R U . . .
H0AT H 0.272993 0.812458 1.150427 0.107 Uiso 1 1 calc R U . . .
H0AU H 0.265550 0.869668 1.150144 0.107 Uiso 1 1 calc R U . . .
C0AF C 0.2924(10) 0.8093(10) 0.6428(10) 0.067(3) Uani 1 1 d D U . . .
H0AD H 0.318887 0.778193 0.651459 0.101 Uiso 1 1 calc R U . . .
H0AE H 0.256934 0.800342 0.638745 0.101 Uiso 1 1 calc R U . . .
H0AF H 0.287418 0.821461 0.670042 0.101 Uiso 1 1 calc R U . . .
C0AH C 0.3613(13) 0.8032(12) 0.3552(11) 0.107(10) Uani 1 1 d D U . . .
H0AG H 0.333575 0.784591 0.350313 0.161 Uiso 1 1 calc R U . . .
H0AH H 0.394453 0.803807 0.331563 0.161 Uiso 1 1 calc R U . . .
H0AI H 0.346353 0.839223 0.348649 0.161 Uiso 1 1 calc R U . . .
C0AI C -0.0701(12) 0.6483(13) 0.5027(11) 0.075(3) Uani 1 1 d . . . . .
H0AJ H -0.097631 0.640235 0.532454 0.112 Uiso 1 1 calc R U . . .
H0AK H -0.085590 0.644861 0.475404 0.112 Uiso 1 1 calc R U . . .
H0AL H -0.060246 0.684252 0.491086 0.112 Uiso 1 1 calc R U . . .
Cu0A Cu 0.36779(15) 0.68541(15) 1.03544(15) 0.0632(12) Uani 1 1 d D . . . .
Cu0B Cu 0.12927(16) 0.83675(15) 0.52117(14) 0.0608(12) Uani 1 1 d D . . . .
Cu0C Cu 0.42823(15) 0.73988(15) 1.05013(13) 0.0588(11) Uani 1 1 d D . . . .
Cu0D Cu 0.34582(15) 0.79794(16) 1.07254(13) 0.0577(11) Uani 1 1 d D . . . .
Cu0E Cu 0.36190(15) 0.77600(16) 0.90362(14) 0.0631(12) Uani 1 1 d D . . . .
Cu0F Cu 0.37650(15) 0.88264(16) 0.98124(14) 0.0636(12) Uani 1 1 d D . . . .
Cu0G Cu 0.43903(16) 0.72820(16) 0.96438(14) 0.0622(12) Uani 1 1 d D . . . .
Cu0H Cu 0.28775(16) 0.73232(16) 0.97054(14) 0.0636(12) Uani 1 1 d D . . . .
Cu0I Cu 0.15063(16) 0.80776(16) 0.44936(14) 0.0645(12) Uani 1 1 d D . . . .
Cu0J Cu 0.06009(15) 0.78890(16) 0.50572(14) 0.0622(12) Uani 1 1 d D . . . .
Cu0K Cu 0.23201(16) 0.65795(16) 0.54787(14) 0.0659(12) Uani 1 1 d D . . . .
Cu0L Cu 0.08487(16) 0.67961(15) 0.53192(13) 0.0607(12) Uani 1 1 d D . . . .
Cu0M Cu 0.27961(15) 0.74620(16) 1.05992(15) 0.0645(12) Uani 1 1 d D . . . .
Cu0N Cu 0.20670(15) 0.68882(15) 0.62690(14) 0.0597(11) Uani 1 1 d D . . . .
Cu0O Cu 0.17870(16) 0.69953(15) 0.47325(14) 0.0641(12) Uani 1 1 d D . . . .
Cu0P Cu 0.38073(16) 0.87370(17) 0.89874(14) 0.0672(13) Uani 1 1 d D . . . .
Cu0Q Cu 0.45510(16) 0.82987(15) 0.95601(15) 0.0669(12) Uani 1 1 d D . . . .
Cu0R Cu 0.51593(18) 0.78534(17) 0.90278(15) 0.0750(13) Uani 1 1 d . . . . .
Cu0S Cu -0.02090(17) 0.79668(18) 0.67880(16) 0.0743(13) Uani 1 1 d . . . . .
Cu0T Cu 0.40242(17) 0.87259(17) 1.06652(15) 0.0714(13) Uani 1 1 d . . . . .
Cu0U Cu -0.01566(18) 0.78870(17) 0.57768(15) 0.0736(13) Uani 1 1 d . . . . .
Cu0V Cu 0.21962(16) 0.87966(17) 0.50951(16) 0.0723(13) Uani 1 1 d . . . . .
Cu0W Cu 0.07187(17) 0.84938(17) 0.59749(15) 0.0740(13) Uani 1 1 d D . . . .
Cu0X Cu 0.28467(17) 0.94121(17) 0.96935(17) 0.0779(14) Uani 1 1 d D . . . .
Cu0Y Cu 0.29049(18) 0.92703(17) 0.86418(16) 0.0788(14) Uani 1 1 d D . . . .
Cu0Z Cu 0.33579(18) 0.87245(18) 0.46171(16) 0.0798(14) Uani 1 1 d . . . . .
C1 C 0.2924(17) 0.4039(12) 0.7272(15) 0.178(11) Uani 1 1 d D U . . .
Cl1 Cl 0.0451(4) 0.7852(4) 0.3766(3) 0.091(3) Uani 1 1 d . . . . .
Cl1T Cl -0.0180(4) 0.8693(4) 0.5804(3) 0.076(3) Uani 1 1 d . . . . .
Cu01 Cu 0.15127(15) 0.73690(15) 0.54307(13) 0.0523(11) Uani 1 1 d D . . . .
Cu1A Cu 0.13636(19) 0.76575(18) 0.38979(17) 0.0807(14) Uani 1 1 d . . . . .
Cu1B Cu 0.1327(2) 0.61168(18) 0.49257(18) 0.0909(16) Uani 1 1 d . . . . .
Cu1C Cu 0.19562(17) 0.73025(19) 1.02745(17) 0.0829(15) Uani 1 1 d . . . . .
Cu1D Cu 0.31713(19) 0.6579(2) 1.12744(16) 0.0902(16) Uani 1 1 d . . . . .
Cu1E Cu 0.17790(17) 0.84032(19) 0.97482(18) 0.0878(15) Uani 1 1 d . . . . .
Cu1F Cu 0.0670(2) 0.69749(18) 0.70396(17) 0.0882(15) Uani 1 1 d . . . . .
Cu1G Cu 0.3302(2) 0.6365(2) 0.98957(19) 0.0952(16) Uani 1 1 d . . . . .
Cu1H Cu 0.4168(2) 0.68088(19) 0.90533(19) 0.0966(16) Uani 1 1 d . . . . .
Cu1I Cu 0.33320(18) 0.75260(19) 0.53900(17) 0.0879(15) Uani 1 1 d . . . . .
Cu1J Cu 0.30465(19) 0.6476(2) 0.60662(18) 0.0926(16) Uani 1 1 d . . . . .
Cu1K Cu 0.3916(2) 0.7143(2) 1.14907(16) 0.0953(17) Uani 1 1 d . . . . .
Cu1L Cu 0.2391(2) 0.5988(2) 1.0865(2) 0.1112(19) Uani 1 1 d . . . . .
Cu1M Cu 0.2510(3) 0.5345(2) 0.6842(3) 0.144(3) Uani 1 1 d . . . . .
S1N S 0.5466(3) 0.8017(3) 0.9634(3) 0.058(2) Uani 1 1 d . . . . .
S1O S 0.5046(3) 0.7025(4) 0.9093(3) 0.071(3) Uani 1 1 d D . . . .
S1P S 0.2969(3) 0.8309(4) 0.5451(3) 0.067(3) Uani 1 1 d D . . . .
S1Q S 0.1988(3) 0.9090(3) 0.9915(3) 0.060(2) Uani 1 1 d . . . . .
S1R S -0.0142(4) 0.7243(4) 0.6590(3) 0.074(2) Uani 1 1 d . . . . .
S1S S 0.4816(3) 0.7326(4) 1.1114(3) 0.064(2) Uani 1 1 d . . . . .
S1U S 0.3476(3) 0.9400(3) 1.0183(3) 0.061(2) Uani 1 1 d . . . . .
S1V S 0.2078(4) 0.8905(4) 0.8882(3) 0.081(3) Uani 1 1 d D . . . .
S1W S 0.3261(3) 0.7981(3) 0.4511(3) 0.062(2) Uani 1 1 d . . . . .
S1X S 0.1386(3) 0.9002(3) 0.5472(3) 0.064(2) Uani 1 1 d . . . . .
S1Y S 0.3656(4) 0.9137(4) 0.8163(3) 0.070(3) Uani 1 1 d . . . . .
S1Z S 0.1593(4) 0.5514(4) 0.6641(4) 0.083(3) Uani 1 1 d . . . . .
C2 C 0.2114(13) 0.4322(17) 1.2310(18) 0.175(3) Uani 1 1 d D U . . .
H2 H 0.201208 0.407410 1.220597 0.210 Uiso 1 1 calc R U . . .
B2 B -0.0367(8) 0.7582(8) 0.9404(7) 0.118(4) Uani 1 1 d D U . . .
Cl2 Cl 0.3840(5) 0.6868(5) 0.5866(5) 0.146(6) Uani 1 1 d . . . . .
Cl02 Cl 0.0842(5) 0.6174(4) 0.7603(4) 0.113(4) Uani 1 1 d . . . . .
Cl2C Cl 0.4972(3) 0.8744(4) 1.0565(3) 0.076(3) Uani 1 1 d . . . . .
Cu02 Cu 0.13195(14) 0.75910(15) 0.62294(13) 0.0544(11) Uani 1 1 d D . . . .
P2F P 0.0214(4) 0.6803(4) 0.3373(3) 0.074(3) Uani 1 1 d . . . . .
P2G P 0.1334(4) 1.0383(4) 0.8724(4) 0.088(3) Uani 1 1 d . . . . .
P2H P 0.5230(4) 0.8032(4) 1.1968(3) 0.070(3) Uani 1 1 d . . . . .
P2L P -0.0835(5) 0.8378(6) 0.7142(4) 0.118(4) Uani 1 1 d . . . . .
P02O P 0.5629(5) 0.7441(6) 0.7571(6) 0.132(4) Uani 1 1 d D . . . .
P02R P 0.1928(7) 0.5281(7) 1.1271(6) 0.175(3) Uani 1 1 d D . . . .
P02T P 0.2977(8) 0.4633(6) 0.7325(7) 0.178(7) Uani 1 1 d . . . . .
S2A S 0.1573(4) 0.6791(4) 0.4095(3) 0.067(2) Uani 1 1 d . . . . .
S2B S 0.2320(4) 0.6631(4) 0.9980(4) 0.089(3) Uani 1 1 d . . . . .
S2D S 0.2836(4) 0.5791(4) 0.5880(4) 0.089(3) Uani 1 1 d . . . . .
S2J S 0.2227(4) 0.6788(4) 1.1105(4) 0.080(3) Uani 1 1 d D . . . .
S2K S 0.2502(4) 0.6172(4) 0.6900(4) 0.086(3) Uani 1 1 d D . . . .
S2M S 0.3350(4) 0.6028(4) 1.0814(4) 0.092(3) Uani 1 1 d . . . . .
C31 C 0.6348(11) 0.7395(14) 0.7677(13) 0.132(4) Uani 1 1 d D U . . .
C03A C 0.3781(12) 0.9788(10) 0.4632(10) 0.089(6) Uani 1 1 d D U . . .
C03B C -0.0319(12) 0.8843(12) 0.4360(11) 0.066(2) Uani 1 1 d . . . . .
H03A H -0.046898 0.911825 0.405779 0.099 Uiso 1 1 calc R U . . .
H03B H 0.003809 0.869144 0.425993 0.099 Uiso 1 1 calc R U . . .
H03C H -0.026945 0.899195 0.459628 0.099 Uiso 1 1 calc R U . . .
C03D C -0.0729(11) 0.6844(10) 0.6790(8) 0.074(2) Uani 1 1 d D U . . .
C03E C 0.3832(12) 0.5476(12) 1.1135(10) 0.091(7) Uani 1 1 d D U . . .
C03F C 0.3650(12) 1.0515(10) 0.2644(8) 0.088(6) Uani 1 1 d D U . . .
H03F H 0.360646 1.074591 0.230099 0.106 Uiso 1 1 calc R U . . .
C03G C 0.4010(16) 0.9736(14) 0.7816(13) 0.083(12) Uani 1 1 d . . . . .
C03H C 0.5042(13) 0.9424(10) 0.3933(9) 0.104(8) Uani 1 1 d D U . . .
H03H H 0.494109 0.973632 0.365231 0.124 Uiso 1 1 calc R U . . .
C03I C 0.1065(9) 0.8081(9) 0.7198(10) 0.078(8) Uani 1 1 d D U . . .
C03J C 0.3792(11) 0.9836(10) 0.3636(8) 0.078(6) Uani 1 1 d D U . . .
C03K C 0.3321(13) 0.5536(10) 0.5485(11) 0.095(7) Uani 1 1 d D U . . .
C03L C 0.1585(11) 1.0003(11) 0.4836(11) 0.089(8) Uani 1 1 d D U . . .
H03D H 0.192915 0.978003 0.492613 0.133 Uiso 1 1 calc R U . . .
H03E H 0.154022 1.025731 0.498786 0.133 Uiso 1 1 calc R U . . .
H03G H 0.159950 1.018941 0.446586 0.133 Uiso 1 1 calc R U . . .
C03M C -0.0197(14) 0.6111(13) 0.5165(13) 0.074(11) Uani 1 1 d . . . . .
C03N C 0.3126(10) 0.7488(10) 0.8090(10) 0.074(3) Uani 1 1 d D U . . .
H03V H 0.296887 0.764818 0.832529 0.111 Uiso 1 1 calc R U . . .
H03X H 0.317218 0.710704 0.827707 0.111 Uiso 1 1 calc R U . . .
H03Y H 0.287683 0.757769 0.782869 0.111 Uiso 1 1 calc R U . . .
C03O C 0.4643(10) 0.9152(12) 0.4290(12) 0.098(8) Uani 1 1 d D U . . .
C03P C 0.0254(11) 0.7365(10) 0.2755(9) 0.084(7) Uani 1 1 d D U . . .
C03Q C -0.1004(15) 0.8236(14) 0.4294(13) 0.102(14) Uani 1 1 d . . . . .
H03I H -0.074078 0.822862 0.400869 0.153 Uiso 1 1 calc R U . . .
H03J H -0.132309 0.848258 0.416468 0.153 Uiso 1 1 calc R U . . .
H03K H -0.112695 0.788519 0.449940 0.153 Uiso 1 1 calc R U . . .
C03R C 0.3575(15) 1.0200(14) 0.7594(13) 0.097(14) Uani 1 1 d . . . . .
H03Z H 0.359785 1.046191 0.772530 0.146 Uiso 1 1 calc R U . . .
H H 0.320529 1.007390 0.769354 0.146 Uiso 1 1 calc R U . . .
HA H 0.364622 1.035801 0.722304 0.146 Uiso 1 1 calc R U . . .
C03S C 0.4179(10) 0.9858(11) 0.4859(12) 0.093(6) Uani 1 1 d D U . . .
H03S H 0.453907 0.969065 0.483834 0.112 Uiso 1 1 calc R U . . .
C03T C 0.5653(12) 0.6537(10) 0.9375(8) 0.091(8) Uani 1 1 d D U . . .
C03U C 0.5632(12) 0.9030(11) 0.9069(10) 0.085(9) Uani 1 1 d D U . . .
H03 H 0.587084 0.931581 0.887495 0.127 Uiso 1 1 calc R U . . .
HB H 0.538403 0.911425 0.932544 0.127 Uiso 1 1 calc R U . . .
HC H 0.541411 0.898609 0.883876 0.127 Uiso 1 1 calc R U . . .
C03V C 0.5573(12) 0.6689(14) 1.1760(12) 0.086(12) Uani 1 1 d . . . . .
H1 H 0.558253 0.631519 1.198491 0.129 Uiso 1 1 calc R U . . .
HD H 0.530494 0.688554 1.191281 0.129 Uiso 1 1 calc R U . . .
HE H 0.593978 0.681117 1.170971 0.129 Uiso 1 1 calc R U . . .
C03W C -0.0807(13) 0.7198(13) 0.3662(14) 0.124(9) Uani 1 1 d D U . . .
H03W H -0.060947 0.746800 0.365113 0.149 Uiso 1 1 calc R U . . .
C03X C 0.4474(17) 0.970(2) 0.7454(16) 0.19(3) Uani 1 1 d . . . . .
H3 H 0.437802 0.951020 0.727073 0.291 Uiso 1 1 calc R U . . .
HF H 0.479641 0.951866 0.763474 0.291 Uiso 1 1 calc R U . . .
HG H 0.455980 1.005615 0.721126 0.291 Uiso 1 1 calc R U . . .
C03Y C 0.1755(13) 1.1743(10) 0.7539(11) 0.130(9) Uani 1 1 d D U . . .
H4 H 0.166448 1.210594 0.745224 0.156 Uiso 1 1 calc R U . . .
C03Z C 0.5955(12) 0.8158(13) 1.1748(12) 0.080(7) Uani 1 1 d D U . . .
Cl3 Cl 0.1173(4) 0.7831(4) 1.0101(4) 0.110(4) Uani 1 1 d . . . . .
Cu03 Cu 0.35782(14) 0.79231(15) 0.98382(13) 0.0528(11) Uani 1 1 d D . . . .
C4 C 0.5765(11) 0.6180(10) 0.9113(11) 0.106(9) Uani 1 1 d D U . . .
H4A H 0.603694 0.589370 0.928320 0.159 Uiso 1 1 calc R U . . .
H4B H 0.590982 0.637457 0.875846 0.159 Uiso 1 1 calc R U . . .
H4C H 0.542144 0.603547 0.912297 0.159 Uiso 1 1 calc R U . . .
C04A C 0.4822(15) 0.7213(14) 1.2766(12) 0.102(9) Uani 1 1 d D U . . .
H04J H 0.451488 0.731183 1.257385 0.123 Uiso 1 1 calc R U . . .
C04C C 0.5585(11) 0.9248(12) 0.3979(10) 0.111(8) Uani 1 1 d D U . . .
H04C H 0.586341 0.944355 0.373507 0.133 Uiso 1 1 calc R U . . .
C04D C -0.1459(11) 0.8689(15) 0.6811(12) 0.143(10) Uani 1 1 d D U . . .
C04E C 0.1529(12) 1.1128(12) 0.9577(12) 0.124(8) Uani 1 1 d D U . . .
H04K H 0.183763 1.119300 0.969499 0.149 Uiso 1 1 calc R U . . .
C04F C 0.4239(12) 0.9947(12) 0.8164(11) 0.070(3) Uani 1 1 d . . . . .
H04M H 0.393066 1.003934 0.837490 0.105 Uiso 1 1 calc R U . . .
H04N H 0.443595 1.025835 0.794940 0.105 Uiso 1 1 calc R U . . .
H04P H 0.449274 0.967539 0.838214 0.105 Uiso 1 1 calc R U . . .
C04G C 0.2604(19) 0.3615(15) 0.6806(13) 0.180(11) Uani 1 1 d D U . . .
H04G H 0.247024 0.363627 0.650957 0.216 Uiso 1 1 calc R U . . .
C04H C -0.1090(14) 0.7946(14) 0.7801(10) 0.145(10) Uani 1 1 d D U . . .
C04I C 0.0688(9) 0.7670(10) 0.2647(9) 0.087(7) Uani 1 1 d D U . . .
H04I H 0.094773 0.757809 0.288615 0.105 Uiso 1 1 calc R U . . .
C04J C 0.3678(12) 0.5011(12) 1.1137(12) 0.092(3) Uani 1 1 d D U . . .
H04Q H 0.329657 0.495572 1.129282 0.138 Uiso 1 1 calc R U . . .
H04T H 0.392463 0.471244 1.133223 0.138 Uiso 1 1 calc R U . . .
H04U H 0.370627 0.504277 1.078732 0.138 Uiso 1 1 calc R U . . .
C04L C -0.0800(13) 0.6328(13) 0.3664(14) 0.125(9) Uani 1 1 d D U . . .
H04L H -0.061809 0.604995 0.358261 0.150 Uiso 1 1 calc R U . . .
C04N C 0.0432(12) 0.6227(10) 0.3225(11) 0.100(7) Uani 1 1 d D U . . .
C04O C 0.3884(12) 1.0676(9) 0.2946(10) 0.088(6) Uani 1 1 d D U . . .
H04O H 0.399334 1.102256 0.281347 0.105 Uiso 1 1 calc R U . . .
C04P C 0.1660(9) 0.8922(12) 0.3208(10) 0.077(7) Uani 1 1 d D U . . .
C04Q C 0.3847(11) 1.0023(11) 0.9886(9) 0.084(9) Uani 1 1 d D U . . .
C04R C -0.0403(13) 0.9351(12) 0.6721(10) 0.100(7) Uani 1 1 d D U . . .
H04R H -0.047508 0.935226 0.641048 0.120 Uiso 1 1 calc R U . . .
C04S C 0.3274(11) 1.0026(10) 0.4662(9) 0.091(6) Uani 1 1 d D U . . .
H04S H 0.299005 0.997448 0.450555 0.109 Uiso 1 1 calc R U . . .
C04U C 0.6232(11) 0.8543(12) 0.9749(10) 0.082(8) Uani 1 1 d D U . . .
H04V H 0.649958 0.880823 0.961571 0.122 Uiso 1 1 calc R U . . .
H04X H 0.642148 0.819747 0.993045 0.122 Uiso 1 1 calc R U . . .
H04Y H 0.594446 0.862429 0.998307 0.122 Uiso 1 1 calc R U . . .
C04V C 0.3226(13) 0.5741(12) 0.4951(11) 0.115(10) Uani 1 1 d D U . . .
H04A H 0.332584 0.610344 0.477646 0.172 Uiso 1 1 calc R U . . .
H04B H 0.283563 0.573074 0.492702 0.172 Uiso 1 1 calc R U . . .
H04D H 0.345395 0.552678 0.479215 0.172 Uiso 1 1 calc R U . . .
C04W C -0.1596(13) 0.8466(12) 0.6525(13) 0.147(10) Uani 1 1 d D U . . .
H04W H -0.136310 0.818528 0.648644 0.176 Uiso 1 1 calc R U . . .
C04X C 0.0996(14) 1.1292(12) 0.9722(12) 0.128(9) Uani 1 1 d D U . . .
H04Z H 0.094313 1.150204 0.990891 0.154 Uiso 1 1 calc R U . . .
C04Y C 0.2277(13) 1.1049(13) 0.7349(11) 0.125(9) Uani 1 1 d D U . . .
H04 H 0.253772 1.093641 0.713256 0.150 Uiso 1 1 calc R U . . .
C04Z C 0.2171(10) 0.8877(12) 0.7980(10) 0.081(3) Uani 1 1 d D U . . .
H7 H 0.239873 0.915122 0.794319 0.121 Uiso 1 1 calc R U . . .
HH H 0.198813 0.898660 0.767200 0.121 Uiso 1 1 calc R U . . .
HI H 0.240663 0.855210 0.803231 0.121 Uiso 1 1 calc R U . . .
Cl4 Cl 0.3426(4) 0.6510(4) 1.2006(3) 0.095(3) Uani 1 1 d . . . . .
Cu04 Cu 0.27648(15) 0.82851(15) 0.92564(14) 0.0590(11) Uani 1 1 d D . . . .
C5 C -0.0134(13) 0.9758(11) 0.6715(10) 0.101(7) Uani 1 1 d D U . . .
H5 H -0.000547 1.002494 0.640098 0.121 Uiso 1 1 calc R U . . .
C05B C 0.5331(13) 0.8525(11) 0.4736(11) 0.112(8) Uani 1 1 d D U . . .
H05B H 0.543011 0.820425 0.500915 0.134 Uiso 1 1 calc R U . . .
C05C C 0.3477(10) 1.0016(10) 0.2840(9) 0.085(6) Uani 1 1 d D U . . .
H05C H 0.330835 0.990575 0.263539 0.102 Uiso 1 1 calc R U . . .
C05D C 0.5730(10) 0.8790(13) 0.4374(12) 0.113(8) Uani 1 1 d D U . . .
H05D H 0.610632 0.865741 0.439625 0.135 Uiso 1 1 calc R U . . .
C05E C 0.5701(15) 0.7312(15) 1.2850(13) 0.114(10) Uani 1 1 d D U . . .
H05L H 0.602538 0.749496 1.273370 0.137 Uiso 1 1 calc R U . . .
C05F C 0.6737(12) 0.8130(14) 1.1166(14) 0.099(8) Uani 1 1 d D U . . .
H05M H 0.690623 0.806916 1.087936 0.119 Uiso 1 1 calc R U . . .
C04B C 0.7035(15) 0.8324(14) 1.1408(13) 0.100(8) Uani 1 1 d D U . . .
H8 H 0.742074 0.834356 1.130954 0.120 Uiso 1 1 calc R U . . .
C02Z C 0.6800(11) 0.8490(15) 1.1786(13) 0.097(8) Uani 1 1 d D U . . .
H02Z H 0.700195 0.865810 1.191772 0.116 Uiso 1 1 calc R U . . .
C05G C 0.3450(12) 1.0478(11) 0.9683(11) 0.100(10) Uani 1 1 d D U . . .
H05N H 0.309715 1.041224 0.989766 0.150 Uiso 1 1 calc R U . . .
H05O H 0.339474 1.053923 0.933635 0.150 Uiso 1 1 calc R U . . .
H05P H 0.359199 1.078658 0.967764 0.150 Uiso 1 1 calc R U . . .
C05H C 0.3961(11) 1.0339(10) 0.3440(9) 0.085(6) Uani 1 1 d D U . . .
H05H H 0.412854 1.044968 0.364527 0.102 Uiso 1 1 calc R U . . .
C05I C 0.4778(16) 0.6797(15) 1.3234(13) 0.110(10) Uani 1 1 d D U . . .
H05Q H 0.444491 0.662902 1.336110 0.132 Uiso 1 1 calc R U . . .
C05K C 0.1956(19) 0.4857(13) 1.0906(13) 0.175(3) Uani 1 1 d D U . . .
C05N C 0.5218(14) 0.6629(17) 1.3516(15) 0.125(10) Uani 1 1 d D U . . .
H05R H 0.519605 0.634881 1.384401 0.150 Uiso 1 1 calc R U . . .
C05O C 0.4683(16) 0.9029(15) 1.2667(16) 0.126(10) Uani 1 1 d D U . . .
H05S H 0.461411 0.903978 1.299185 0.151 Uiso 1 1 calc R U . . .
C05P C 0.0272(12) 0.5164(12) 1.1664(13) 0.128(9) Uani 1 1 d D U . . .
H05T H 0.003223 0.490161 1.187491 0.154 Uiso 1 1 calc R U . . .
C05Q C 0.4113(13) 1.0059(12) 1.0287(11) 0.094(9) Uani 1 1 d D U . . .
H05U H 0.430877 0.972074 1.047784 0.141 Uiso 1 1 calc R U . . .
H05X H 0.383075 1.015236 1.051774 0.141 Uiso 1 1 calc R U . . .
H05Y H 0.437598 1.032853 1.013231 0.141 Uiso 1 1 calc R U . . .
C05R C 0.6186(11) 0.8026(14) 1.1348(12) 0.085(8) Uani 1 1 d D U . . .
H05Z H 0.598032 0.787225 1.120490 0.102 Uiso 1 1 calc R U . . .
C05T C 0.1077(11) 0.8640(10) 0.6985(11) 0.086(8) Uani 1 1 d D U . . .
H05A H 0.091749 0.877025 0.724245 0.128 Uiso 1 1 calc R U . . .
H05E H 0.086266 0.879987 0.669258 0.128 Uiso 1 1 calc R U . . .
H05F H 0.146038 0.872978 0.687622 0.128 Uiso 1 1 calc R U . . .
C05U C 0.2040(14) 1.0683(10) 0.7804(12) 0.125(9) Uani 1 1 d D U . . .
H05 H 0.214040 1.032027 0.789672 0.150 Uiso 1 1 calc R U . . .
C05V C -0.0130(10) 0.7513(11) 0.2411(10) 0.090(7) Uani 1 1 d D U . . .
H05V H -0.044687 0.732387 0.249368 0.108 Uiso 1 1 calc R U . . .
C05W C -0.1389(13) 0.7214(12) 0.3785(14) 0.132(9) Uani 1 1 d D U . . .
H05W H -0.158923 0.752040 0.380021 0.158 Uiso 1 1 calc R U . . .
C05Y C 0.2666(11) 0.6818(12) 0.3709(11) 0.093(8) Uani 1 1 d D U . . .
H05G H 0.282421 0.705254 0.337258 0.139 Uiso 1 1 calc R U . . .
H05I H 0.292530 0.650791 0.385019 0.139 Uiso 1 1 calc R U . . .
H05J H 0.259924 0.700053 0.393411 0.139 Uiso 1 1 calc R U . . .
C05Z C 0.1515(11) 1.1379(13) 0.7989(10) 0.126(9) Uani 1 1 d D U . . .
H9 H 0.125482 1.149198 0.820639 0.151 Uiso 1 1 calc R U . . .
Cl5 Cl 0.3760(7) 0.6111(6) 0.9289(6) 0.206(8) Uani 1 1 d . . . . .
Cu05 Cu 0.26948(15) 0.84289(16) 1.01058(14) 0.0605(12) Uani 1 1 d D . . . .
C06B C 0.2873(13) 0.8996(12) 0.5924(14) 0.133(12) Uani 1 1 d D U . . .
H06A H 0.307960 0.913629 0.609323 0.199 Uiso 1 1 calc R U . . .
H06B H 0.249222 0.895915 0.608643 0.199 Uiso 1 1 calc R U . . .
H06C H 0.287161 0.923602 0.556511 0.199 Uiso 1 1 calc R U . . .
C06D C 0.4072(11) 1.0161(12) 0.5114(12) 0.093(6) Uani 1 1 d D U . . .
H06D H 0.435310 1.020134 0.528040 0.112 Uiso 1 1 calc R U . . .
C06E C 0.1740(13) 0.9669(13) 1.0467(14) 0.124(11) Uani 1 1 d D U . . .
H06Q H 0.151794 0.973214 1.074710 0.186 Uiso 1 1 calc R U . . .
H06S H 0.169005 0.997615 1.014687 0.186 Uiso 1 1 calc R U . . .
H06T H 0.213020 0.960526 1.052489 0.186 Uiso 1 1 calc R U . . .
C06F C 0.0745(13) 0.5828(12) 0.3555(10) 0.104(7) Uani 1 1 d D U . . .
H06F H 0.084619 0.585621 0.384183 0.124 Uiso 1 1 calc R U . . .
C06G C -0.1775(15) 0.9103(15) 0.6850(13) 0.148(10) Uani 1 1 d D U . . .
H06G H -0.166349 0.927817 0.703001 0.178 Uiso 1 1 calc R U . . .
C06H C 0.1582(12) 0.8746(13) 1.0959(12) 0.134(13) Uani 1 1 d D U . . .
H06W H 0.196910 0.864425 1.102722 0.201 Uiso 1 1 calc R U . . .
H06X H 0.141519 0.844652 1.097051 0.201 Uiso 1 1 calc R U . . .
H06Y H 0.138089 0.885976 1.121661 0.201 Uiso 1 1 calc R U . . .
C06J C 0.0342(14) 0.9935(13) 0.8935(12) 0.127(9) Uani 1 1 d D U . . .
H06Z H 0.049005 0.970910 0.924396 0.152 Uiso 1 1 calc R U . . .
C06L C 0.0738(10) 0.7918(11) 0.7687(9) 0.069(2) Uani 1 1 d D U . . .
H06E H 0.085591 0.808266 0.788543 0.103 Uiso 1 1 calc R U . . .
H06H H 0.078920 0.753618 0.786852 0.103 Uiso 1 1 calc R U . . .
H06I H 0.034687 0.802455 0.763753 0.103 Uiso 1 1 calc R U . . .
C06M C 0.3675(10) 0.7690(8) 0.7844(9) 0.069(6) Uani 1 1 d D U . . .
C06N C 0.3759(11) 0.7762(10) 0.4080(10) 0.076(8) Uani 1 1 d D U . . .
C06P C 0.0382(11) 0.8234(10) 0.1839(9) 0.089(7) Uani 1 1 d D U . . .
H06P H 0.043141 0.852532 0.152117 0.107 Uiso 1 1 calc R U . . .
C06R C 0.2909(16) 0.3093(12) 0.7640(13) 0.178(11) Uani 1 1 d D U . . .
H06R H 0.298464 0.276034 0.790693 0.213 Uiso 1 1 calc R U . . .
C06S C 0.2567(13) 0.5821(11) 0.7921(11) 0.108(10) Uani 1 1 d D U . . .
H06J H 0.235471 0.597501 0.814473 0.162 Uiso 1 1 calc R U . . .
H06K H 0.288050 0.559240 0.808879 0.162 Uiso 1 1 calc R U . . .
H06L H 0.232933 0.561613 0.784940 0.162 Uiso 1 1 calc R U . . .
C06T C 0.3374(13) 0.4968(11) 0.5653(11) 0.089(3) Uani 1 1 d D U . . .
H06M H 0.337627 0.488286 0.536137 0.133 Uiso 1 1 calc R U . . .
H06N H 0.306055 0.481879 0.590314 0.133 Uiso 1 1 calc R U . . .
H06O H 0.371885 0.482147 0.580894 0.133 Uiso 1 1 calc R U . . .
C06U C 0.3567(12) 1.0410(11) 0.5135(11) 0.091(6) Uani 1 1 d D U . . .
H06U H 0.349377 1.063495 0.530692 0.110 Uiso 1 1 calc R U . . .
C06V C 0.3168(10) 1.0338(11) 0.4913(11) 0.093(6) Uani 1 1 d D U . . .
H06V H 0.280847 1.050809 0.493205 0.112 Uiso 1 1 calc R U . . .
C06W C 0.5689(17) 0.6878(16) 1.3306(14) 0.132(11) Uani 1 1 d D U . . .
H06 H 0.601258 0.675045 1.347649 0.158 Uiso 1 1 calc R U . . .
C06Z C 0.1893(10) 0.6564(9) 0.9518(10) 0.088(7) Uani 1 1 d D U . . .
Cu06 Cu 0.22585(15) 0.77857(16) 0.56508(13) 0.0569(11) Uani 1 1 d . . . . .
C7 C 0.2229(17) 0.5180(12) 1.2147(16) 0.175(3) Uani 1 1 d D U . . .
H7A H 0.215941 0.554451 1.195030 0.210 Uiso 1 1 calc R U . . .
C07D C 0.1204(14) 0.4613(13) 0.6709(11) 0.116(9) Uani 1 1 d D U . . .
H07A H 0.103310 0.475129 0.639123 0.174 Uiso 1 1 calc R U . . .
H07B H 0.104955 0.428383 0.694491 0.174 Uiso 1 1 calc R U . . .
H07C H 0.160367 0.454900 0.663965 0.174 Uiso 1 1 calc R U . . .
C07F C 0.1455(12) 0.8769(13) 0.2827(11) 0.102(8) Uani 1 1 d D U . . .
H07D H 0.126208 0.844954 0.300936 0.152 Uiso 1 1 calc R U . . .
H07E H 0.177016 0.870603 0.260396 0.152 Uiso 1 1 calc R U . . .
H07F H 0.120084 0.905302 0.262220 0.152 Uiso 1 1 calc R U . . .
C07G C 0.1627(10) 0.7856(10) 0.7295(10) 0.069(2) Uani 1 1 d D U . . .
H07G H 0.187883 0.801776 0.698755 0.103 Uiso 1 1 calc R U . . .
H07H H 0.164798 0.747793 0.739270 0.103 Uiso 1 1 calc R U . . .
H07I H 0.173293 0.792199 0.757121 0.103 Uiso 1 1 calc R U . . .
C07H C 0.3314(12) 0.8263(10) 1.1815(11) 0.085(7) Uani 1 1 d D U . . .
C07I C -0.2405(11) 0.9020(15) 0.6372(14) 0.151(10) Uani 1 1 d D U . . .
H07J H -0.275559 0.911478 0.624444 0.181 Uiso 1 1 calc R U . . .
C07J C 0.1196(9) 0.6980(11) 1.1505(10) 0.080(3) Uani 1 1 d D U . . .
H07U H 0.113377 0.684935 1.125766 0.120 Uiso 1 1 calc R U . . .
H07V H 0.109874 0.735893 1.137129 0.120 Uiso 1 1 calc R U . . .
H07W H 0.096499 0.680626 1.182407 0.120 Uiso 1 1 calc R U . . .
C07K C 0.6143(9) 0.6837(12) 0.9285(11) 0.115(10) Uani 1 1 d D U . . .
H07X H 0.630947 0.671936 0.960292 0.173 Uiso 1 1 calc R U . . .
H07Y H 0.602433 0.721145 0.916487 0.173 Uiso 1 1 calc R U . . .
HJ H 0.641451 0.677624 0.902867 0.173 Uiso 1 1 calc R U . . .
C07M C 0.2460(16) 0.5008(16) 1.2588(18) 0.175(3) Uani 1 1 d D U . . .
H07Z H 0.268436 0.521897 1.264669 0.210 Uiso 1 1 calc R U . . .
C07N C 0.0816(13) 0.5049(11) 1.1652(13) 0.130(9) Uani 1 1 d D U . . .
H07 H 0.096359 0.470741 1.185622 0.156 Uiso 1 1 calc R U . . .
C07O C -0.0945(11) 0.6756(11) 0.7312(9) 0.074(2) Uani 1 1 d D U . . .
H07K H -0.123737 0.651584 0.742996 0.111 Uiso 1 1 calc R U . . .
H07L H -0.109503 0.709000 0.732466 0.111 Uiso 1 1 calc R U . . .
H07M H -0.064580 0.660208 0.753160 0.111 Uiso 1 1 calc R U . . .
C07P C 0.4813(13) 0.488(2) 0.685(2) 0.245(15) Uani 1 1 d D U . . .
H07P H 0.519526 0.493235 0.679741 0.294 Uiso 1 1 calc R U . . .
C07Q C 0.3869(12) 0.5673(11) 0.5487(11) 0.089(3) Uani 1 1 d D U . . .
H07N H 0.410766 0.535237 0.564751 0.133 Uiso 1 1 calc R U . . .
H07O H 0.384233 0.588978 0.567714 0.133 Uiso 1 1 calc R U . . .
H07Q H 0.402631 0.586785 0.513664 0.133 Uiso 1 1 calc R U . . .
C07U C 0.4511(16) 0.9486(17) 1.2241(14) 0.127(10) Uani 1 1 d D U . . .
H10 H 0.439116 0.979416 1.229608 0.153 Uiso 1 1 calc R U . . .
C07W C 0.555(2) 0.5872(18) 0.741(2) 0.224(13) Uani 1 1 d D U . . .
H12 H 0.551110 0.557204 0.735501 0.269 Uiso 1 1 calc R U . . .
C07Y C 0.4371(11) 0.5545(12) 1.0878(11) 0.092(3) Uani 1 1 d D U . . .
H14 H 0.463666 0.529315 1.109900 0.138 Uiso 1 1 calc R U . . .
HK H 0.446256 0.590182 1.078796 0.138 Uiso 1 1 calc R U . . .
HL H 0.438803 0.548725 1.056821 0.138 Uiso 1 1 calc R U . . .
C07Z C 0.5187(17) 0.6025(18) 0.7735(18) 0.225(13) Uani 1 1 d D U . . .
H15 H 0.487361 0.583346 0.790100 0.270 Uiso 1 1 calc R U . . .
Cu07 Cu 0.06117(16) 0.70986(15) 0.60638(14) 0.0589(11) Uani 1 1 d D . . . .
C8 C 0.2273(14) 0.4162(12) 1.2776(16) 0.175(3) Uani 1 1 d D U . . .
H8A H 0.232393 0.379935 1.298786 0.210 Uiso 1 1 calc R U . . .
C08E C -0.2062(15) 0.8639(14) 0.6294(13) 0.151(10) Uani 1 1 d D U . . .
H08E H -0.214888 0.849363 0.607763 0.181 Uiso 1 1 calc R U . . .
C08F C 0.565(2) 0.6796(12) 0.753(2) 0.224(13) Uani 1 1 d D U . . .
C08G C 0.2221(14) 0.6081(11) 0.3780(12) 0.109(9) Uani 1 1 d D U . . .
H08A H 0.240209 0.603324 0.347795 0.164 Uiso 1 1 calc R U . . .
H08B H 0.186159 0.593379 0.387829 0.164 Uiso 1 1 calc R U . . .
H08C H 0.245228 0.590248 0.405929 0.164 Uiso 1 1 calc R U . . .
C08I C 0.5259(18) 0.645(2) 0.7827(17) 0.224(13) Uani 1 1 d D U . . .
H08Z H 0.503679 0.650676 0.809859 0.268 Uiso 1 1 calc R U . . .
C08K C 0.2719(18) 0.4070(12) 0.6836(14) 0.181(11) Uani 1 1 d D U . . .
H08K H 0.265911 0.440136 0.656211 0.218 Uiso 1 1 calc R U . . .
C08L C 0.4334(10) 0.7852(10) 0.4104(10) 0.062(2) Uani 1 1 d D U . . .
H08D H 0.448728 0.755971 0.439371 0.093 Uiso 1 1 calc R U . . .
H08F H 0.433138 0.817874 0.414469 0.093 Uiso 1 1 calc R U . . .
H08G H 0.456126 0.787713 0.378961 0.093 Uiso 1 1 calc R U . . .
C08M C 0.0914(13) 0.5384(11) 0.3472(11) 0.107(7) Uani 1 1 d D U . . .
H08M H 0.110892 0.509565 0.371424 0.129 Uiso 1 1 calc R U . . .
C08O C 0.2775(9) 0.6247(9) 0.7436(8) 0.086(3) Uani 1 1 d D U . . .
C08P C 0.2907(19) 0.4509(13) 0.7928(12) 0.178(7) Uani 1 1 d D U . . .
C08S C 0.1597(16) 0.4214(15) 1.0685(14) 0.194(6) Uani 1 1 d D U . . .
H08 H 0.129228 0.405699 1.066112 0.233 Uiso 1 1 calc R U . . .
C08T C -0.0850(13) 0.7442(14) 0.8043(13) 0.153(10) Uani 1 1 d D U . . .
H08T H -0.054352 0.731418 0.787401 0.184 Uiso 1 1 calc R U . . .
C08U C 0.2093(13) 0.6894(12) 0.9000(12) 0.123(11) Uani 1 1 d D U . . .
H16 H 0.237150 0.669030 0.886299 0.184 Uiso 1 1 calc R U . . .
HM H 0.225946 0.719109 0.899602 0.184 Uiso 1 1 calc R U . . .
HN H 0.178486 0.702460 0.879021 0.184 Uiso 1 1 calc R U . . .
C08V C 0.6026(16) 0.6630(16) 0.7220(16) 0.228(13) Uani 1 1 d D U . . .
H17 H 0.632378 0.683778 0.703541 0.273 Uiso 1 1 calc R U . . .
C08W C 0.5990(17) 0.618(2) 0.7167(16) 0.228(13) Uani 1 1 d D U . . .
H18 H 0.627093 0.606957 0.695988 0.274 Uiso 1 1 calc R U . . .
C08X C 0.5235(12) 0.6283(12) 1.1281(11) 0.064(2) Uani 1 1 d . . . . .
H19 H 0.490774 0.618140 1.152827 0.097 Uiso 1 1 calc R U . . .
HO H 0.553663 0.600745 1.138885 0.097 Uiso 1 1 calc R U . . .
HP H 0.514672 0.633270 1.094716 0.097 Uiso 1 1 calc R U . . .
C08Y C 0.4955(16) 0.8554(16) 1.2641(15) 0.127(10) Uani 1 1 d D U . . .
H21 H 0.509985 0.826668 1.292075 0.152 Uiso 1 1 calc R U . . .
C08Z C 0.1805(11) 0.6398(11) 1.2094(9) 0.109(11) Uani 1 1 d D U . . .
H22 H 0.151346 0.644760 1.234271 0.163 Uiso 1 1 calc R U . . .
HQ H 0.216573 0.635141 1.221761 0.163 Uiso 1 1 calc R U . . .
HR H 0.174874 0.608619 1.204655 0.163 Uiso 1 1 calc R U . . .
Cu08 Cu 0.24996(15) 0.74974(15) 0.48989(14) 0.0565(11) Uani 1 1 d D . . . .
C9 C 0.5670(17) 0.8088(15) 0.6489(19) 0.224(14) Uani 1 1 d D U . . .
H9A H 0.593491 0.783453 0.643179 0.269 Uiso 1 1 calc R U . . .
C09B C 0.2020(14) 0.6936(12) 0.3127(10) 0.114(10) Uani 1 1 d D U . . .
H09A H 0.179292 0.726244 0.308289 0.170 Uiso 1 1 calc R U . . .
H09B H 0.182203 0.671560 0.303697 0.170 Uiso 1 1 calc R U . . .
H09C H 0.236869 0.701515 0.290664 0.170 Uiso 1 1 calc R U . . .
C09E C 0.1088(12) 0.5005(12) 0.6944(10) 0.090(7) Uani 1 1 d D U . . .
C09M C 0.1144(12) 0.4738(11) 0.7509(10) 0.083(3) Uani 1 1 d D U . . .
H09D H 0.077709 0.466717 0.769767 0.124 Uiso 1 1 calc R U . . .
H09E H 0.131443 0.496726 0.760988 0.124 Uiso 1 1 calc R U . . .
H09F H 0.137523 0.440792 0.758514 0.124 Uiso 1 1 calc R U . . .
C09N C 0.1306(11) 0.6687(11) 0.9641(11) 0.089(3) Uani 1 1 d D U . . .
H09J H 0.122885 0.659009 1.000736 0.134 Uiso 1 1 calc R U . . .
H09K H 0.108538 0.649045 0.954179 0.134 Uiso 1 1 calc R U . . .
H09L H 0.121085 0.706315 0.945710 0.134 Uiso 1 1 calc R U . . .
C09U C 0.3720(12) 0.8493(13) 0.5933(13) 0.124(11) Uani 1 1 d D U . . .
H09G H 0.381278 0.860918 0.618028 0.187 Uiso 1 1 calc R U . . .
H09H H 0.385807 0.873077 0.558968 0.187 Uiso 1 1 calc R U . . .
H09I H 0.389023 0.813760 0.600474 0.187 Uiso 1 1 calc R U . . .
C09W C 0.1786(10) 0.6868(8) 1.1598(10) 0.085(8) Uani 1 1 d D U . . .
C09Z C 0.3908(18) 0.5167(17) 0.7018(18) 0.244(15) Uani 1 1 d D U . . .
H09Z H 0.364305 0.543096 0.705306 0.293 Uiso 1 1 calc R U . . .
Cu09 Cu 0.13249(15) 0.63674(16) 0.60982(15) 0.0654(12) Uani 1 1 d D . . . .
C33 C 0.1926(12) 0.7306(11) 1.1708(11) 0.113(9) Uani 1 1 d D U . . .
H33A H 0.175403 0.726567 1.204654 0.169 Uiso 1 1 calc R U . . .
H33B H 0.178692 0.764135 1.145348 0.169 Uiso 1 1 calc R U . . .
H33C H 0.232745 0.729608 1.169552 0.169 Uiso 1 1 calc R U . . .
Cu10 Cu 0.50569(18) 0.7466(2) 0.82225(16) 0.0848(15) Uani 1 1 d . . . . .
Cu11 Cu 0.50264(18) 0.80320(18) 1.03645(15) 0.0780(14) Uani 1 1 d . . . . .
C12 C 0.1660(14) 0.8309(11) 0.8564(13) 0.131(11) Uani 1 1 d D U . . .
H12A H 0.165494 0.820180 0.828777 0.197 Uiso 1 1 calc R U . . .
H12B H 0.129266 0.828685 0.875508 0.197 Uiso 1 1 calc R U . . .
H12C H 0.193072 0.807757 0.879201 0.197 Uiso 1 1 calc R U . . .
Cu12 Cu 0.42642(18) 0.84241(18) 0.83101(16) 0.0782(14) Uani 1 1 d . . . . .
C05A C 0.0323(10) 0.6201(10) 0.2791(10) 0.099(7) Uani 1 1 d D U . . .
H05K H 0.011627 0.648404 0.255430 0.119 Uiso 1 1 calc R U . . .
C6 C 0.0511(11) 0.5768(12) 0.2701(9) 0.102(7) Uani 1 1 d D U . . .
H6 H 0.043967 0.575311 0.239796 0.122 Uiso 1 1 calc R U . . .
C13 C 0.0800(13) 0.5358(10) 0.3043(11) 0.104(7) Uani 1 1 d D U . . .
H13 H 0.092231 0.505442 0.298146 0.125 Uiso 1 1 calc R U . . .
Cu13 Cu 0.02117(19) 0.74009(18) 0.46271(17) 0.0818(14) Uani 1 1 d . . . . .
C14 C 0.4502(17) 0.9520(16) 1.1738(16) 0.133(11) Uani 1 1 d D U . . .
H14A H 0.432656 0.979322 1.146717 0.159 Uiso 1 1 calc R U . . .
Cu14 Cu 0.1911(2) 0.56913(18) 0.57964(17) 0.0842(15) Uani 1 1 d . . . . .
C15 C 0.1796(9) 0.8797(10) 0.8374(8) 0.097(9) Uani 1 1 d D U . . .
Cu15 Cu 0.18308(18) 0.96378(18) 0.90717(17) 0.0825(14) Uani 1 1 d . . . . .
C32 C 0.511(2) 0.838(2) 0.7030(12) 0.221(14) Uani 1 1 d D U . . .
H32 H 0.498489 0.834103 0.736573 0.265 Uiso 1 1 calc R U . . .
Cu16 Cu 0.06616(18) 0.68299(19) 0.39547(15) 0.0787(14) Uani 1 1 d . . . . .
C17 C 0.6464(12) 0.7785(13) 0.7802(14) 0.139(6) Uani 1 1 d D U . . .
H17A H 0.617440 0.802597 0.784779 0.167 Uiso 1 1 calc R U . . .
Cu17 Cu 0.24643(18) 0.84326(18) 0.41748(16) 0.0793(14) Uani 1 1 d . . . . .
C18 C 0.7001(14) 0.7827(13) 0.7861(15) 0.141(6) Uani 1 1 d D U . . .
H18A H 0.707481 0.807276 0.798054 0.170 Uiso 1 1 calc R U . . .
Cu18 Cu 0.15372(19) 0.61592(18) 0.70210(17) 0.0855(15) Uani 1 1 d D . . . .
C19 C 0.7428(11) 0.7511(15) 0.7744(14) 0.142(6) Uani 1 1 d D U . . .
H19A H 0.779975 0.758733 0.770997 0.171 Uiso 1 1 calc R U . . .
Cu19 Cu 0.47384(17) 0.79245(19) 1.14674(16) 0.0802(14) Uani 1 1 d . . . . .
C20 C 0.3352(16) 0.4523(17) 0.8649(17) 0.201(9) Uani 1 1 d D U . . .
H20 H 0.366622 0.454980 0.878602 0.241 Uiso 1 1 calc R U . . .
Cl20 Cl 0.2825(4) 0.9989(4) 0.8852(3) 0.085(3) Uani 1 1 d . . . . .
S21 S -0.0302(3) 0.7807(4) 0.5073(3) 0.066(2) Uani 1 1 d . . . . .
C22 C 0.4817(16) 0.9052(15) 1.1732(17) 0.127(10) Uani 1 1 d D U . . .
H22A H 0.493644 0.906678 1.140153 0.152 Uiso 1 1 calc R U . . .
Cl22 Cl 0.2419(3) 0.9222(4) 0.4231(3) 0.079(3) Uani 1 1 d . . . . .
C29 C 0.2358(16) 0.4521(18) 1.2940(12) 0.175(3) Uani 1 1 d D U . . .
H29 H 0.234790 0.443514 1.329215 0.210 Uiso 1 1 calc R U . . .
S23 S 0.0427(4) 0.6524(4) 0.4826(3) 0.075(3) Uani 1 1 d . . . . .
C24 C 0.2140(19) 0.4085(14) 1.0497(16) 0.197(7) Uani 1 1 d D U . . .
H24 H 0.221822 0.378640 1.042096 0.236 Uiso 1 1 calc R U . . .
S24 S 0.0742(4) 0.7861(4) 0.6795(3) 0.069(2) Uani 1 1 d . . . . .
C25 C -0.0545(11) 0.6333(10) 0.6784(10) 0.074(2) Uani 1 1 d D U . . .
H25A H -0.070644 0.605800 0.709316 0.111 Uiso 1 1 calc R U . . .
H25B H -0.014100 0.628044 0.676916 0.111 Uiso 1 1 calc R U . . .
H25C H -0.066272 0.631770 0.648592 0.111 Uiso 1 1 calc R U . . .
S25 S 0.4102(4) 0.7627(4) 0.8326(3) 0.074(3) Uani 1 1 d . . . . .
S26 S 0.3776(4) 0.8028(4) 1.1404(3) 0.072(2) Uani 1 1 d . . . . .
S27 S 0.1944(4) 0.8283(4) 0.3694(3) 0.076(3) Uani 1 1 d . . . . .
C27 C 0.1554(12) 0.9193(11) 1.0437(12) 0.102(11) Uani 1 1 d D U . . .
Cl28 Cl 0.5205(4) 0.8433(4) 0.8194(3) 0.081(3) Uani 1 1 d . . . . .
C28 C 0.1366(11) 0.9133(11) 0.8261(11) 0.081(3) Uani 1 1 d D U . . .
H28A H 0.121319 0.920583 0.855629 0.121 Uiso 1 1 calc R U . . .
H28B H 0.108625 0.898772 0.816406 0.121 Uiso 1 1 calc R U . . .
H28C H 0.147436 0.945799 0.797664 0.121 Uiso 1 1 calc R U . . .
P29 P 0.3899(4) 0.9374(4) 0.4294(3) 0.069(3) Uani 1 1 d . . . . .
C030 C -0.0725(14) 0.8410(14) 0.4622(13) 0.081(12) Uani 1 1 d . . . . .
C031 C 0.1607(12) 1.0867(10) 0.9259(11) 0.124(9) Uani 1 1 d D U . . .
H031 H 0.197040 1.076737 0.914639 0.149 Uiso 1 1 calc R U . . .
C032 C 0.0638(10) 1.0325(14) 0.8577(14) 0.120(9) Uani 1 1 d D U . . .
C033 C 0.1080(10) 0.9652(12) 0.5043(10) 0.085(7) Uani 1 1 d D U . . .
C034 C 0.6244(11) 0.8393(13) 1.1960(13) 0.084(7) Uani 1 1 d D U . . .
H034 H 0.606248 0.848724 1.222388 0.101 Uiso 1 1 calc R U . . .
C36 C 0.444(2) 0.5267(14) 0.6866(18) 0.246(15) Uani 1 1 d D U . . .
H36 H 0.454421 0.560859 0.676926 0.296 Uiso 1 1 calc R U . . .
C036 C 0.0628(11) 0.9853(11) 0.5381(10) 0.086(8) Uani 1 1 d D U . . .
H03L H 0.074734 0.973793 0.571894 0.129 Uiso 1 1 calc R U . . .
H03M H 0.027741 0.970861 0.541193 0.129 Uiso 1 1 calc R U . . .
H03N H 0.057736 1.023604 0.522132 0.129 Uiso 1 1 calc R U . . .
C037 C 0.1153(15) 1.0752(11) 0.9104(11) 0.123(9) Uani 1 1 d D U . . .
C38 C 0.2563(14) 0.4412(18) 1.0424(16) 0.194(7) Uani 1 1 d D U . . .
H38 H 0.290531 0.437620 1.023523 0.233 Uiso 1 1 calc R U . . .
C038 C 0.0532(12) 0.5296(11) 0.6840(10) 0.083(3) Uani 1 1 d D U . . .
H03O H 0.043063 0.530404 0.652557 0.124 Uiso 1 1 calc R U . . .
H03P H 0.054359 0.565468 0.680424 0.124 Uiso 1 1 calc R U . . .
H03Q H 0.025774 0.511890 0.712267 0.124 Uiso 1 1 calc R U . . .
C039 C 0.0820(11) 0.9628(11) 0.4597(10) 0.085(7) Uani 1 1 d D U . . .
H03R H 0.057194 0.934632 0.473426 0.127 Uiso 1 1 calc R U . . .
H03T H 0.111470 0.956062 0.435987 0.127 Uiso 1 1 calc R U . . .
H03U H 0.061109 0.996301 0.441807 0.127 Uiso 1 1 calc R U . . .
C040 C 0.0433(13) 1.0634(11) 0.8127(12) 0.123(9) Uani 1 1 d D U . . .
H040 H 0.063932 1.090422 0.787389 0.148 Uiso 1 1 calc R U . . .
C40 C 0.5510(19) 0.8511(19) 0.6099(13) 0.220(14) Uani 1 1 d D U . . .
H40 H 0.565772 0.855974 0.576314 0.263 Uiso 1 1 calc R U . . .
C041 C -0.1176(14) 0.8562(15) 0.4981(14) 0.108(15) Uani 1 1 d . . . . .
H04E H -0.100033 0.866103 0.520254 0.161 Uiso 1 1 calc R U . . .
H04F H -0.139229 0.826257 0.518871 0.161 Uiso 1 1 calc R U . . .
H04H H -0.141989 0.885800 0.477849 0.161 Uiso 1 1 calc R U . . .
C41 C 0.1514(14) 0.4580(15) 1.0910(12) 0.192(6) Uani 1 1 d D U . . .
H41 H 0.115785 0.464111 1.106483 0.231 Uiso 1 1 calc R U . . .
C042 C 0.6383(10) 0.8400(11) 0.8963(9) 0.074(8) Uani 1 1 d D U . . .
H23 H 0.651455 0.802937 0.912599 0.112 Uiso 1 1 calc R U . . .
HS H 0.669554 0.861542 0.886433 0.112 Uiso 1 1 calc R U . . .
HT H 0.620833 0.846272 0.866113 0.112 Uiso 1 1 calc R U . . .
C043 C -0.0520(11) 0.6777(14) 0.3556(14) 0.125(9) Uani 1 1 d D U . . .
C43 C 0.2476(16) 0.4793(15) 1.0632(17) 0.196(7) Uani 1 1 d D U . . .
H43 H 0.276376 0.500459 1.058980 0.235 Uiso 1 1 calc R U . . .
C044 C 0.5273(13) 0.7495(16) 1.2556(13) 0.103(10) Uani 1 1 d D U . . .
C045 C 0.5403(14) 0.6775(12) 1.1249(15) 0.073(11) Uani 1 1 d . . . . .
C45 C 0.3319(11) 0.7901(10) 1.2338(9) 0.072(2) Uani 1 1 d D U . . .
H45A H 0.331164 0.754389 1.236591 0.107 Uiso 1 1 calc R U . . .
H45B H 0.299433 0.798512 1.253848 0.107 Uiso 1 1 calc R U . . .
H45C H 0.365509 0.792487 1.246542 0.107 Uiso 1 1 calc R U . . .
C046 C 0.2138(12) 0.6653(9) 0.3664(10) 0.067(2) Uani 1 1 d D U . . .
C047 C -0.0566(11) 0.8940(10) 0.7184(11) 0.095(7) Uani 1 1 d D U . . .
C048 C 0.5977(10) 0.8540(11) 0.9322(8) 0.066(8) Uani 1 1 d D U . . .
C049 C 0.1154(10) 0.5413(13) 1.1354(13) 0.121(9) Uani 1 1 d D U . . .
C50 C 0.547(2) 0.8011(14) 0.6958(13) 0.215(14) Uani 1 1 d D U . . .
C52 C 0.2388(15) 0.4405(13) 0.8238(17) 0.202(9) Uani 1 1 d D U . . .
H52 H 0.207967 0.436436 0.810301 0.242 Uiso 1 1 calc R U . . .
C053 C 0.3022(15) 0.3550(15) 0.7672(13) 0.178(11) Uani 1 1 d D U . . .
H053 H 0.316524 0.352803 0.796453 0.214 Uiso 1 1 calc R U . . .
C054 C 0.4791(11) 0.8718(12) 0.4708(11) 0.112(8) Uani 1 1 d D U . . .
H054 H 0.451913 0.855211 0.497774 0.134 Uiso 1 1 calc R U . . .
C055 C 0.1659(12) 1.0845(12) 0.8122(9) 0.122(9) Uani 1 1 d D U . . .
C056 C 0.4981(16) 0.8565(16) 1.2140(13) 0.108(10) Uani 1 1 d D U . . .
C057 C 0.2128(13) 1.1581(12) 0.7214(10) 0.128(9) Uani 1 1 d D U . . .
H057 H 0.227991 1.183265 0.690075 0.153 Uiso 1 1 calc R U . . .
C058 C -0.0057(11) 0.7933(11) 0.1948(10) 0.090(7) Uani 1 1 d D U . . .
H058 H -0.030832 0.801599 0.170345 0.108 Uiso 1 1 calc R U . . .
C60 C 0.282(2) 0.4417(16) 0.8967(12) 0.206(9) Uani 1 1 d D U . . .
H60 H 0.279165 0.438429 0.930672 0.247 Uiso 1 1 calc R U . . .
C21 C 0.3753(14) 0.470(2) 0.7122(18) 0.239(15) Uani 1 1 d D U . . .
C061 C -0.0485(10) 0.8949(10) 0.7643(10) 0.097(7) Uani 1 1 d D U . . .
H061 H -0.059981 0.867432 0.795661 0.117 Uiso 1 1 calc R U . . .
C011 C -0.0233(11) 0.9368(11) 0.7637(10) 0.100(7) Uani 1 1 d D U . . .
H011 H -0.018072 0.937860 0.794807 0.120 Uiso 1 1 calc R U . . .
C11 C -0.0057(12) 0.9771(11) 0.7173(11) 0.103(7) Uani 1 1 d D U . . .
H11 H 0.011424 1.005258 0.717035 0.123 Uiso 1 1 calc R U . . .
C062 C -0.2251(14) 0.9267(14) 0.6630(15) 0.151(10) Uani 1 1 d D U . . .
H062 H -0.247778 0.955680 0.665816 0.181 Uiso 1 1 calc R U . . .
C063 C 0.0063(10) 0.5639(13) 1.1385(14) 0.129(9) Uani 1 1 d D U . . .
H063 H -0.032558 0.572031 1.139816 0.154 Uiso 1 1 calc R U . . .
C064 C 0.3552(9) 0.9680(9) 0.3334(9) 0.081(6) Uani 1 1 d D U . . .
H064 H 0.343625 0.933603 0.346848 0.097 Uiso 1 1 calc R U . . .
C065 C 0.412(2) 0.4334(15) 0.705(2) 0.243(15) Uani 1 1 d D U . . .
H065 H 0.400500 0.400933 0.709352 0.292 Uiso 1 1 calc R U . . .
C65 C 0.515(2) 0.8866(15) 0.6174(16) 0.219(14) Uani 1 1 d D U . . .
H65 H 0.503493 0.917557 0.589472 0.263 Uiso 1 1 calc R U . . .
C066 C -0.1356(14) 0.6298(12) 0.3895(15) 0.138(9) Uani 1 1 d D U . . .
H066 H -0.151504 0.597245 0.405376 0.165 Uiso 1 1 calc R U . . .
C067 C 0.2685(18) 0.3126(12) 0.7215(15) 0.179(11) Uani 1 1 d D U . . .
H067 H 0.258862 0.281916 0.720257 0.214 Uiso 1 1 calc R U . . .
C068 C 0.4265(12) 0.9994(12) 0.9481(10) 0.095(9) Uani 1 1 d D U . . .
H25 H 0.408878 1.008577 0.917271 0.142 Uiso 1 1 calc R U . . .
HU H 0.444378 0.963672 0.958867 0.142 Uiso 1 1 calc R U . . .
HV H 0.454272 1.023875 0.941219 0.142 Uiso 1 1 calc R U . . .
C069 C 0.0746(10) 0.8107(10) 0.2194(10) 0.088(7) Uani 1 1 d D U . . .
H069 H 0.103869 0.832073 0.212754 0.106 Uiso 1 1 calc R U . . .
C070 C 0.5854(15) 0.6967(15) 1.0857(15) 0.14(2) Uani 1 1 d . . . . .
H27 H 0.570627 0.717897 1.053111 0.209 Uiso 1 1 calc R U . . .
HW H 0.609511 0.666996 1.083234 0.209 Uiso 1 1 calc R U . . .
HX H 0.606616 0.718190 1.094112 0.209 Uiso 1 1 calc R U . . .
C071 C 0.0620(13) 1.0884(13) 0.9278(13) 0.128(9) Uani 1 1 d D U . . .
H071 H 0.031111 1.079214 0.918360 0.154 Uiso 1 1 calc R U . . .
C072 C 0.3964(12) 0.7364(10) 0.7570(10) 0.083(8) Uani 1 1 d D U . . .
H28 H 0.377439 0.743605 0.727338 0.125 Uiso 1 1 calc R U . . .
HY H 0.395778 0.699236 0.779917 0.125 Uiso 1 1 calc R U . . .
HZ H 0.434740 0.745242 0.745919 0.125 Uiso 1 1 calc R U . . .
C30 C 0.2535(13) 0.6769(11) 0.7412(13) 0.116(9) Uani 1 1 d D U . . .
H30A H 0.213866 0.680698 0.738182 0.174 Uiso 1 1 calc R U . . .
H30B H 0.271697 0.704434 0.711718 0.174 Uiso 1 1 calc R U . . .
H30C H 0.259244 0.679956 0.772277 0.174 Uiso 1 1 calc R U . . .
C73 C 0.2099(15) 0.483(2) 1.1993(12) 0.175(3) Uani 1 1 d D U . . .
C06X C -0.0168(13) 0.9869(13) 0.8853(12) 0.130(9) Uani 1 1 d D U . . .
H30 H -0.038985 0.961968 0.911491 0.156 Uiso 1 1 calc R U . . .
C07X C -0.0355(11) 1.0162(14) 0.8392(14) 0.125(9) Uani 1 1 d D U . . .
H31 H -0.068866 1.008955 0.831681 0.151 Uiso 1 1 calc R U . . .
C073 C -0.0065(13) 1.0556(12) 0.8040(11) 0.127(9) Uani 1 1 d D U . . .
H073 H -0.021279 1.077944 0.773051 0.153 Uiso 1 1 calc R U . . .
C076 C 0.2166(11) 0.9226(12) 0.2994(11) 0.092(9) Uani 1 1 d D U . . .
H07R H 0.226622 0.933209 0.324594 0.138 Uiso 1 1 calc R U . . .
H07S H 0.208705 0.953752 0.268554 0.138 Uiso 1 1 calc R U . . .
H07T H 0.247347 0.900423 0.291136 0.138 Uiso 1 1 calc R U . . .
C077 C 0.0946(11) 0.9320(13) 1.0344(13) 0.118(11) Uani 1 1 d D U . . .
H33 H 0.071688 0.925229 1.066703 0.177 Uiso 1 1 calc R U . . .
H34 H 0.084719 0.910032 1.019055 0.177 Uiso 1 1 calc R U . . .
H35 H 0.088393 0.968999 1.011329 0.177 Uiso 1 1 calc R U . . .
C080 C -0.1671(11) 0.6769(15) 0.3885(14) 0.130(9) Uani 1 1 d D U . . .
H080 H -0.206222 0.678353 0.394468 0.156 Uiso 1 1 calc R U . . .
C081 C 0.3391(11) 0.6216(11) 0.7369(11) 0.086(3) Uani 1 1 d D U . . .
H08H H 0.353685 0.587496 0.737040 0.129 Uiso 1 1 calc R U . . .
H08I H 0.352374 0.625756 0.764798 0.129 Uiso 1 1 calc R U . . .
H08J H 0.351648 0.649509 0.704515 0.129 Uiso 1 1 calc R U . . .
C082 C -0.0102(12) 0.5707(13) 0.4929(11) 0.075(3) Uani 1 1 d . . . . .
H08L H 0.016484 0.582851 0.462604 0.112 Uiso 1 1 calc R U . . .
H08N H -0.045246 0.566635 0.483539 0.112 Uiso 1 1 calc R U . . .
H08O H 0.004218 0.536913 0.517718 0.112 Uiso 1 1 calc R U . . .
C085 C -0.0082(12) 0.5850(13) 0.5695(11) 0.075(3) Uani 1 1 d . . . . .
H08P H -0.013927 0.547738 0.582740 0.112 Uiso 1 1 calc R U . . .
H08Q H -0.033055 0.600991 0.589611 0.112 Uiso 1 1 calc R U . . .
H08R H 0.030202 0.588738 0.571839 0.112 Uiso 1 1 calc R U . . .
C086 C 0.0539(12) 1.1151(13) 0.9594(13) 0.128(9) Uani 1 1 d D U . . .
H086 H 0.017648 1.123577 0.971977 0.154 Uiso 1 1 calc R U . . .
C87 C 0.3398(15) 0.4588(16) 0.8117(15) 0.191(8) Uani 1 1 d D U . . .
H87 H 0.373296 0.467722 0.790115 0.230 Uiso 1 1 calc R U . . .
C087 C 0.0401(13) 0.6002(11) 1.1084(12) 0.133(9) Uani 1 1 d D U . . .
H087 H 0.025234 0.634304 1.087891 0.160 Uiso 1 1 calc R U . . .
C088 C 0.3717(14) 0.7187(11) 0.4268(13) 0.114(10) Uani 1 1 d D U . . .
H08S H 0.351003 0.712246 0.404206 0.171 Uiso 1 1 calc R U . . .
H08U H 0.352482 0.705392 0.461214 0.171 Uiso 1 1 calc R U . . .
H08V H 0.408837 0.700732 0.427191 0.171 Uiso 1 1 calc R U . . .
C88 C 0.6770(14) 0.7034(12) 0.7623(11) 0.148(6) Uani 1 1 d D U . . .
H88 H 0.668968 0.675775 0.754764 0.177 Uiso 1 1 calc R U . . .
C089 C 0.1201(10) 0.9196(12) 0.3443(10) 0.076(3) Uani 1 1 d D U . . .
H08W H 0.096047 0.893663 0.369579 0.113 Uiso 1 1 calc R U . . .
H08X H 0.098405 0.945452 0.317742 0.113 Uiso 1 1 calc R U . . .
H08Y H 0.136243 0.937221 0.360825 0.113 Uiso 1 1 calc R U . . .
C89 C 0.7310(12) 0.7079(13) 0.7678(13) 0.132(4) Uani 1 1 d D U . . .
H89 H 0.759457 0.681744 0.767019 0.158 Uiso 1 1 calc R U . . .
C090 C 0.3600(11) 0.8251(10) 0.7474(10) 0.074(3) Uani 1 1 d D U . . .
H09M H 0.327029 0.842303 0.759320 0.111 Uiso 1 1 calc R U . . .
H09N H 0.355432 0.826667 0.714039 0.111 Uiso 1 1 calc R U . . .
H09O H 0.392438 0.842974 0.744596 0.111 Uiso 1 1 calc R U . . .
C093 C 0.0942(13) 0.5891(11) 1.1069(11) 0.129(9) Uani 1 1 d D U . . .
H093 H 0.118060 0.615296 1.085474 0.155 Uiso 1 1 calc R U . . .
C095 C 0.3407(13) 0.8757(11) 1.1815(12) 0.110(9) Uani 1 1 d D U . . .
H09P H 0.378462 0.884347 1.166456 0.165 Uiso 1 1 calc R U . . .
H09Q H 0.335746 0.872807 1.216408 0.165 Uiso 1 1 calc R U . . .
H09R H 0.314350 0.903261 1.161455 0.165 Uiso 1 1 calc R U . . .
C95 C 0.4937(19) 0.8787(18) 0.664(2) 0.220(14) Uani 1 1 d D U . . .
H95 H 0.465524 0.902913 0.669554 0.264 Uiso 1 1 calc R U . . .
C098 C -0.1527(14) 0.8136(12) 0.8054(12) 0.150(10) Uani 1 1 d D U . . .
H098 H -0.168942 0.848323 0.789127 0.179 Uiso 1 1 calc R U . . .
C099 C 0.2010(12) 0.6007(11) 0.9630(12) 0.089(3) Uani 1 1 d D U . . .
H09S H 0.227703 0.585038 0.988161 0.134 Uiso 1 1 calc R U . . .
H09T H 0.216314 0.596559 0.931821 0.134 Uiso 1 1 calc R U . . .
H09U H 0.166727 0.583160 0.976609 0.134 Uiso 1 1 calc R U . . .
C99 C 0.2328(15) 0.4360(15) 0.8767(16) 0.203(9) Uani 1 1 d D U . . .
H99 H 0.198378 0.429660 0.897189 0.244 Uiso 1 1 calc R U . . .
C26 C 0.4650(18) 0.4429(17) 0.691(2) 0.243(15) Uani 1 1 d D U . . .
H26 H 0.491167 0.417194 0.685846 0.292 Uiso 1 1 calc R U . . .
Cl10 Cl 0.2626(8) 0.9929(9) 0.6675(8) 0.274(10) Uani 1 1 d D U . . .
Cl8 Cl 0.1558(10) 1.0361(10) 0.6833(9) 0.314(11) Uani 1 1 d D U . . .
Cl6 Cl 0.1827(9) 0.9989(9) 0.6100(9) 0.297(11) Uani 1 1 d D U . . .
B8 B 0.1170(10) 0.2995(11) 0.8439(10) 0.316(15) Uani 1 1 d D U . . .
C10 C -0.2690(13) 0.7420(18) 0.5513(16) 0.52(2) Uani 1 1 d D U . . .
H10A H -0.271(2) 0.775(2) 0.5195(19) 0.618 Uiso 1 1 d D U . . .
F11 F 0.0054(9) 0.7604(10) 0.8897(8) 0.170(6) Uani 1 1 d D U . . .
F12 F -0.0623(10) 0.6996(9) 0.9674(9) 0.198(7) Uani 1 1 d D U . . .
F13 F 0.0589(12) 0.2937(14) 0.8626(13) 0.287(13) Uani 1 1 d D U . . .
Cl19 Cl -0.2592(13) 0.7489(16) 0.6044(14) 0.497(16) Uani 1 1 d D U . . .
F1 F 0.1399(14) 0.3278(15) 0.8664(15) 0.331(14) Uani 1 1 d D U . . .
Cl12 Cl -0.2164(12) 0.6962(16) 0.5503(14) 0.522(17) Uani 1 1 d D U . . .
Cl11 Cl -0.3250(12) 0.7062(16) 0.5719(14) 0.508(16) Uani 1 1 d D U . . .
F27 F -0.0856(9) 0.8071(9) 0.9212(9) 0.199(7) Uani 1 1 d D U . . .
F31 F 0.1228(15) 0.3300(15) 0.7892(12) 0.353(15) Uani 1 1 d D U . . .
F8 F 0.1460(13) 0.2484(13) 0.8549(15) 0.306(14) Uani 1 1 d D U . . .
F56 F -0.0041(9) 0.7640(10) 0.9833(8) 0.164(6) Uani 1 1 d D U . . .
C66 C -0.1726(13) 0.7819(14) 0.8545(12) 0.153(10) Uani 1 1 d D U . . .
H66 H -0.202652 0.794871 0.871822 0.184 Uiso 1 1 calc R U . . .
C85 C -0.1490(15) 0.7317(14) 0.8782(10) 0.156(10) Uani 1 1 d D U . . .
H85 H -0.162627 0.710174 0.911990 0.187 Uiso 1 1 calc R U . . .
C55 C -0.1055(15) 0.7124(12) 0.8531(13) 0.156(10) Uani 1 1 d D U . . .
H55 H -0.089843 0.677425 0.869317 0.187 Uiso 1 1 calc R U . . .
C3 C 0.2071(13) 1.030(3) 0.640(2) 0.24(2) Uani 1 1 d D U . . .
H3A H 0.217802 1.065479 0.614524 0.292 Uiso 1 1 calc R U . . .
Cl14 Cl 0.7545(9) 0.9278(9) 0.8198(9) 0.296(10) Uani 1 1 d D U . . .
Cl16 Cl 0.7424(11) 0.9773(12) 0.8798(11) 0.404(14) Uani 1 1 d D U . . .
Cl17 Cl 0.8417(9) 0.9479(11) 0.8469(12) 0.409(14) Uani 1 1 d D U . . .
C16 C 0.7790(10) 0.9232(15) 0.8741(14) 0.34(3) Uani 1 1 d D U . . .
H16A H 0.778381 0.888884 0.904557 0.413 Uiso 1 1 calc R U . . .
H37 H 0.320490 0.860271 0.944360 0.15(14) Uiso 1 1 d D . . . .
H39 H 0.138930 0.670670 0.646460 0.200 Uiso 1 1 d D U . . .
H42 H 0.203465 0.636086 0.611279 0.200 Uiso 1 1 d D U . . .
H44 H 0.296140 0.698670 1.035229 0.200 Uiso 1 1 d D U . . .
H45 H 0.423760 0.820230 1.031021 0.200 Uiso 1 1 d D U . . .
H46 H 0.354187 0.743773 1.050953 0.200 Uiso 1 1 d D U . . .
H47 H 0.138885 0.825132 0.583179 0.200 Uiso 1 1 d D U . . .
H48 H 0.290050 0.776717 0.906443 0.200 Uiso 1 1 d D U . . .
H49 H 0.063420 0.652520 0.597180 0.02(5) Uiso 1 1 d D . . . .
H50 H 0.095210 0.829210 0.475080 0.03(6) Uiso 1 1 d . . . . .
H51 H 0.117599 0.743312 0.488525 0.200 Uiso 1 1 d D U . . .
H53 H 0.439384 0.680700 1.033997 0.200 Uiso 1 1 d . U . . .
H54 H 0.278996 0.803500 1.080601 0.200 Uiso 1 1 d . U . . .
H56 H 0.424560 0.893764 0.927588 0.2(2) Uiso 1 1 d D . . . .
H57 H 0.094144 0.774295 0.565271 0.200 Uiso 1 1 d D U . . .
H58 H 0.194400 0.749000 0.632600 0.200 Uiso 1 1 d . U . . .
H59 H 0.204165 0.761415 0.445203 0.200 Uiso 1 1 d D U . . .
H61 H 0.252920 0.689850 0.479389 0.200 Uiso 1 1 d . U . . .
H62 H 0.335894 0.841938 0.882131 0.200 Uiso 1 1 d D U . . .
H63 H 0.473289 0.761030 0.991508 0.200 Uiso 1 1 d D U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cl Cu1B 2.213(12) . ?
Cl Cu14 2.283(11) . ?
C0A0 C03D 1.46(2) . ?
C0A0 H0AA 0.9800 . ?
C0A0 H0AB 0.9800 . ?
C0A0 H0AC 0.9800 . ?
C0A9 C03E 1.44(2) . ?
C0A9 H0AM 0.9800 . ?
C0A9 H0AN 0.9800 . ?
C0A9 H0AO 0.9800 . ?
C0AC C0AF 1.42(2) . ?
C0AC C06B 1.43(2) . ?
C0AC C09U 1.44(2) . ?
C0AC S1P 1.901(18) . ?
C0AD C03T 1.49(2) . ?
C0AD H0AP 0.9800 . ?
C0AD H0AQ 0.9800 . ?
C0AD H0AR 0.9800 . ?
C0AE C07H 1.42(2) . ?
C0AE H0AS 0.9800 . ?
C0AE H0AT 0.9800 . ?
C0AE H0AU 0.9800 . ?
C0AF H0AD 0.9800 . ?
C0AF H0AE 0.9800 . ?
C0AF H0AF 0.9800 . ?
C0AH C06N 1.48(2) . ?
C0AH H0AG 0.9800 . ?
C0AH H0AH 0.9800 . ?
C0AH H0AI 0.9800 . ?
C0AI C03M 1.50(4) . ?
C0AI H0AJ 0.9800 . ?
C0AI H0AK 0.9800 . ?
C0AI H0AL 0.9800 . ?
Cu0A S2M 2.335(11) . ?
Cu0A Cu0C 2.486(5) . ?
Cu0A Cu0G 2.488(5) . ?
Cu0A Cu1D 2.618(6) . ?
Cu0A Cu1G 2.626(6) . ?
Cu0A Cu0H 2.742(5) . ?
Cu0A Cu03 2.743(5) . ?
Cu0A Cu0M 2.773(6) . ?
Cu0A H44 1.750(4) . ?
Cu0A H46 1.865(4) . ?
Cu0A H53 1.742(4) . ?
Cu0B S1X 2.276(9) . ?
Cu0B Cu0J 2.519(5) . ?
Cu0B Cu0I 2.522(5) . ?
Cu0B Cu0W 2.581(6) . ?
Cu0B Cu0V 2.590(5) . ?
Cu0B Cu01 2.613(6) . ?
Cu0B Cu06 2.837(5) . ?
Cu0B Cu02 2.857(5) . ?
Cu0B H47 1.749(4) . ?
Cu0B H50 1.791(4) . ?
Cu0B H57 1.920(4) . ?
Cu0C S1S 2.305(8) . ?
Cu0C Cu0D 2.608(5) . ?
Cu0C Cu11 2.610(6) . ?
Cu0C Cu03 2.614(5) . ?
Cu0C Cu0G 2.635(5) . ?
Cu0C Cu1K 2.703(6) . ?
Cu0C Cu0Q 2.909(5) . ?
Cu0C H45 2.090(4) . ?
Cu0C H46 1.806(4) . ?
Cu0C H53 1.899(4) . ?
Cu0C H63 1.804(4) . ?
Cu0D S26 2.305(9) . ?
Cu0D Cu0M 2.500(5) . ?
Cu0D Cu05 2.617(5) . ?
Cu0D Cu0T 2.622(6) . ?
Cu0D Cu03 2.636(5) . ?
Cu0D Cu1K 2.722(6) . ?
Cu0D Cu0F 2.811(5) . ?
Cu0D H46 1.866(4) . ?
Cu0D H54 1.619(4) . ?
Cu0E S25 2.373(10) . ?
Cu0E Cu0H 2.482(5) . ?
Cu0E Cu04 2.559(5) . ?
Cu0E Cu03 2.561(5) . ?
Cu0E Cu0G 2.620(5) . ?
Cu0E Cu12 2.640(6) . ?
Cu0E Cu0P 2.809(6) . ?
Cu0E Cu1H 2.820(7) . ?
Cu0E H48 1.754(4) . ?
Cu0E H62 1.755(4) . ?
Cu0F S1U 2.292(9) . ?
Cu0F Cu0Q 2.488(6) . ?
Cu0F Cu0P 2.516(5) . ?
Cu0F Cu0T 2.559(5) . ?
Cu0F Cu0X 2.582(6) . ?
Cu0F Cu03 2.629(6) . ?
Cu0F Cu05 2.872(5) . ?
Cu0F H45 2.086(4) . ?
Cu0F H56 1.752(4) . ?
Cu0G S1O 2.362(10) . ?
Cu0G Cu0R 2.603(6) . ?
Cu0G Cu03 2.665(6) . ?
Cu0G Cu1H 2.746(6) . ?
Cu0G Cu0Q 2.862(6) . ?
Cu0G H53 1.906(4) . ?
Cu0G H63 1.805(4) . ?
Cu0H S2B 2.332(10) . ?
Cu0H Cu04 2.466(6) . ?
Cu0H Cu1C 2.587(6) . ?
Cu0H Cu1G 2.618(7) . ?
Cu0H Cu03 2.756(5) . ?
Cu0H Cu0M 2.778(5) . ?
Cu0H H44 1.751(4) . ?
Cu0H H48 1.756(4) . ?
Cu0I S27 2.282(9) . ?
Cu0I Cu0J 2.532(5) . ?
Cu0I Cu17 2.574(6) . ?
Cu0I Cu1A 2.577(6) . ?
Cu0I Cu01 2.622(5) . ?
Cu0I Cu0O 2.843(6) . ?
Cu0I Cu08 2.860(5) . ?
Cu0I H50 1.621(4) . ?
Cu0I H51 1.912(4) . ?
Cu0I H59 1.751(4) . ?
Cu0J S21 2.257(9) . ?
Cu0J Cu13 2.575(6) . ?
Cu0J Cu0U 2.584(6) . ?
Cu0J Cu01 2.617(5) . ?
Cu0J Cu07 2.844(5) . ?
Cu0J Cu0L 2.851(6) . ?
Cu0J H50 1.422(4) . ?
Cu0J H51 1.932(4) . ?
Cu0J H57 1.910(4) . ?
Cu0K S2D 2.325(11) . ?
Cu0K Cu0O 2.478(5) . ?
Cu0K Cu08 2.485(5) . ?
Cu0K Cu1J 2.570(6) . ?
Cu0K Cu14 2.576(6) . ?
Cu0K Cu01 2.743(6) . ?
Cu0K Cu0N 2.758(6) . ?
Cu0K Cu09 2.784(6) . ?
Cu0K H42 1.749(4) . ?
Cu0K H61 1.835(4) . ?
Cu0L S23 2.320(9) . ?
Cu0L Cu09 2.473(5) . ?
Cu0L Cu01 2.601(5) . ?
Cu0L Cu13 2.601(6) . ?
Cu0L Cu07 2.620(5) . ?
Cu0L Cu0O 2.628(5) . ?
Cu0L Cu1B 2.688(6) . ?
Cu0L H49 1.752(4) . ?
Cu0L H51 1.913(4) . ?
Cu0M S2J 2.347(10) . ?
Cu0M Cu05 2.490(6) . ?
Cu0M Cu1C 2.571(6) . ?
Cu0M Cu1D 2.593(6) . ?
Cu0M Cu03 2.697(5) . ?
Cu0M H44 1.754(4) . ?
Cu0M H46 1.808(4) . ?
Cu0M H54 1.954(4) . ?
Cu0N S2K 2.342(10) . ?
Cu0N Cu06 2.474(5) . ?
Cu0N Cu02 2.488(5) . ?
Cu0N Cu18 2.610(6) . ?
Cu0N Cu1J 2.620(6) . ?
Cu0N Cu01 2.721(5) . ?
Cu0N Cu09 2.724(5) . ?
Cu0N H39 1.751(4) . ?
Cu0N H42 1.751(4) . ?
Cu0N H58 1.761(4) . ?
Cu0O S2A 2.322(9) . ?
Cu0O Cu08 2.624(5) . ?
Cu0O Cu1A 2.629(6) . ?
Cu0O Cu01 2.636(5) . ?
Cu0O Cu1B 2.681(6) . ?
Cu0O H51 1.931(4) . ?
Cu0O H59 1.751(4) . ?
Cu0O H61 1.833(4) . ?
Cu0P S1Y 2.253(9) . ?
Cu0P Cu0Q 2.497(5) . ?
Cu0P Cu12 2.547(6) . ?
Cu0P Cu0Y 2.585(6) . ?
Cu0P Cu03 2.624(5) . ?
Cu0P Cu04 2.877(5) . ?
Cu0P H37 1.799(4) . ?
Cu0P H56 1.749(4) . ?
Cu0P H62 1.754(4) . ?
Cu0Q S1N 2.291(9) . ?
Cu0Q Cu11 2.563(5) . ?
Cu0Q Cu0R 2.581(6) . ?
Cu0Q Cu03 2.627(5) . ?
Cu0Q H56 1.749(4) . ?
Cu0Q H63 1.804(4) . ?
Cu0R S1N 2.268(9) . ?
Cu0R Cl28 2.285(9) . ?
Cu0R S1O 2.323(10) . ?
Cu0R Cu10 3.043(6) . ?
Cu0S P2L 2.197(13) . ?
Cu0S S24 2.317(9) . ?
Cu0S S1R 2.333(10) . ?
Cu0S Cl1T 2.733(10) . ?
Cu0S Cu0U 3.042(6) . ?
Cu0S Cu0W 3.059(6) . ?
Cu0T S1U 2.242(9) . ?
Cu0T S26 2.292(10) . ?
Cu0T Cl2C 2.310(9) . ?
Cu0U S21 2.251(9) . ?
Cu0U S1R 2.305(10) . ?
Cu0U Cl1T 2.310(10) . ?
Cu0U Cu07 2.639(6) . ?
Cu0V S1X 2.249(10) . ?
Cu0V S1P 2.293(9) . ?
Cu0V Cl22 2.304(9) . ?
Cu0V Cu06 2.619(6) . ?
Cu0V Cu0Z 3.000(6) . ?
Cu0W S1X 2.246(10) . ?
Cu0W Cl1T 2.280(10) . ?
Cu0W S24 2.309(9) . ?
Cu0W Cu02 2.632(6) . ?
Cu0W H47 1.753(4) . ?
Cu0X S1U 2.255(9) . ?
Cu0X S1Q 2.309(9) . ?
Cu0X Cl20 2.309(10) . ?
Cu0X Cu05 2.578(6) . ?
Cu0Y S1Y 2.229(10) . ?
Cu0Y S1V 2.288(11) . ?
Cu0Y Cl20 2.337(11) . ?
Cu0Y Cu04 2.636(6) . ?
Cu0Y Cu15 2.991(6) . ?
Cu0Z P29 2.207(10) . ?
Cu0Z S1W 2.301(10) . ?
Cu0Z S1P 2.326(9) . ?
Cu0Z Cl22 2.669(10) . ?
C1 C053 1.399(19) . ?
C1 C08K 1.405(19) . ?
C1 P02T 1.78(3) . ?
Cl1 Cu1A 2.287(10) . ?
Cl1 Cu13 2.311(10) . ?
Cl1 Cu16 2.692(12) . ?
Cu01 Cu06 2.606(5) . ?
Cu01 Cu02 2.626(5) . ?
Cu01 Cu07 2.633(5) . ?
Cu01 Cu08 2.654(5) . ?
Cu01 Cu09 2.730(5) . ?
Cu01 H51 1.840(3) . ?
Cu01 H57 1.843(4) . ?
Cu1A S27 2.256(10) . ?
Cu1A S2A 2.269(10) . ?
Cu1A Cu16 3.036(6) . ?
Cu1B S23 2.345(10) . ?
Cu1B S2A 2.418(10) . ?
Cu1B Cu14 2.836(6) . ?
Cu1C Cl3 2.246(11) . ?
Cu1C S2J 2.386(10) . ?
Cu1C S2B 2.413(12) . ?
Cu1C Cu1E 2.832(7) . ?
Cu1D Cl4 2.245(10) . ?
Cu1D S2J 2.390(10) . ?
Cu1D S2M 2.417(12) . ?
Cu1D Cu1K 2.890(7) . ?
Cu1E Cl3 2.167(10) . ?
Cu1E S1Q 2.335(10) . ?
Cu1E S1V 2.374(11) . ?
Cu1E Cu05 2.648(6) . ?
Cu1E Cu04 2.675(6) . ?
Cu1F Cl02 2.193(11) . ?
Cu1F S24 2.322(10) . ?
Cu1F S1R 2.415(10) . ?
Cu1F Cu02 2.705(6) . ?
Cu1F Cu07 2.748(6) . ?
Cu1F Cu18 2.926(7) . ?
Cu1G Cl5 2.274(15) . ?
Cu1G S2B 2.433(11) . ?
Cu1G S2M 2.454(12) . ?
Cu1G Cu1H 2.947(7) . ?
Cu1H Cl5 2.137(13) . ?
Cu1H S1O 2.359(10) . ?
Cu1H S25 2.395(10) . ?
Cu1I Cl2 2.156(11) . ?
Cu1I S1P 2.339(11) . ?
Cu1I S1W 2.358(9) . ?
Cu1I Cu08 2.705(6) . ?
Cu1I Cu06 2.720(6) . ?
Cu1I Cu1J 2.899(7) . ?
Cu1J Cl2 2.256(12) . ?
Cu1J S2D 2.363(11) . ?
Cu1J S2K 2.452(11) . ?
Cu1K Cl4 2.166(10) . ?
Cu1K S1S 2.337(10) . ?
Cu1K S26 2.389(11) . ?
Cu1L P02R 2.220(15) . ?
Cu1L S2M 2.355(11) . ?
Cu1L S2B 2.469(11) . ?
Cu1L S2J 2.605(12) . ?
Cu1M P02T 2.193(15) . ?
Cu1M S1Z 2.351(11) . ?
Cu1M S2K 2.413(12) . ?
Cu1M S2D 2.593(12) . ?
S1N C048 1.90(3) . ?
S1N Cu11 2.254(9) . ?
S1O C03T 1.91(3) . ?
S1O Cu10 2.310(9) . ?
S1P Cu06 2.297(9) . ?
S1Q C27 1.83(4) . ?
S1Q Cu05 2.310(9) . ?
S1Q Cu15 2.349(9) . ?
S1R C03D 1.83(3) . ?
S1R Cu07 2.326(10) . ?
S1S C045 1.92(3) . ?
S1S Cu11 2.299(9) . ?
S1S Cu19 2.304(10) . ?
S1U C04Q 1.90(3) . ?
S1V C15 1.885(18) . ?
S1V Cu04 2.287(10) . ?
S1V Cu15 2.345(11) . ?
S1W C06N 1.86(4) . ?
S1W Cu17 2.294(9) . ?
S1W Cu08 2.327(9) . ?
S1X C033 1.86(3) . ?
S1Y C03G 1.83(3) . ?
S1Y Cu12 2.259(11) . ?
S1Z C09E 1.87(4) . ?
S1Z Cu09 2.326(10) . ?
S1Z Cu14 2.329(11) . ?
S1Z Cu18 2.489(11) . ?
C2 C73 1.342(19) . ?
C2 C8 1.344(19) . ?
C2 H2 0.9500 . ?
B2 F11 1.654(18) . ?
B2 F27 1.659(18) . ?
B2 F56 1.666(18) . ?
B2 F12 1.673(18) . ?
Cl02 Cu18 2.226(12) . ?
Cl2C Cu11 2.307(10) . ?
Cl2C Cu19 2.718(10) . ?
Cu02 S24 2.318(10) . ?
Cu02 Cu07 2.594(5) . ?
Cu02 Cu06 2.619(5) . ?
Cu02 H47 1.749(4) . ?
Cu02 H57 1.911(3) . ?
Cu02 H58 1.569(3) . ?
P2F C043 1.81(3) . ?
P2F C03P 1.83(2) . ?
P2F C04N 1.85(3) . ?
P2F Cu16 2.195(10) . ?
P2G C037 1.80(3) . ?
P2G C055 1.83(3) . ?
P2G C032 1.87(3) . ?
P2G Cu15 2.193(11) . ?
P2H C044 1.75(4) . ?
P2H C056 1.79(4) . ?
P2H C03Z 1.83(3) . ?
P2H Cu19 2.176(10) . ?
P2L C04D 1.85(3) . ?
P2L C04H 1.86(3) . ?
P2L C047 1.86(2) . ?
P02O C31 1.82(3) . ?
P02O C08F 1.872(19) . ?
P02O C50 1.886(17) . ?
P02O Cu10 2.207(14) . ?
P02R C049 1.89(3) . ?
P02R C05K 1.904(18) . ?
P02R C73 2.02(3) . ?
P02T C08P 1.63(3) . ?
P02T C21 1.92(4) . ?
S2A C046 1.84(3) . ?
S2A Cu16 2.321(10) . ?
S2B C06Z 1.92(3) . ?
S2D C03K 1.82(4) . ?
S2D Cu14 2.393(11) . ?
S2J C09W 1.74(3) . ?
S2K C08O 1.899(18) . ?
S2K Cu18 2.348(11) . ?
S2M C03E 1.82(4) . ?
C31 C17 1.377(18) . ?
C31 C88 1.389(18) . ?
C03A C04S 1.340(16) . ?
C03A C03S 1.344(16) . ?
C03A P29 1.80(2) . ?
C03B C030 1.55(4) . ?
C03B H03A 0.9800 . ?
C03B H03B 0.9800 . ?
C03B H03C 0.9800 . ?
C03D C25 1.46(2) . ?
C03D C07O 1.46(2) . ?
C03E C07Y 1.42(2) . ?
C03E C04J 1.42(2) . ?
C03F C04O 1.379(16) . ?
C03F C05C 1.380(16) . ?
C03F H03F 0.9500 . ?
C03G C03X 1.45(5) . ?
C03G C03R 1.54(4) . ?
C03G C04F 1.58(4) . ?
C03H C03O 1.363(17) . ?
C03H C04C 1.366(17) . ?
C03H H03H 0.9500 . ?
C03I C05T 1.44(2) . ?
C03I C06L 1.45(2) . ?
C03I C07G 1.46(2) . ?
C03I S24 1.86(4) . ?
C03J C064 1.374(16) . ?
C03J C05H 1.388(16) . ?
C03J P29 1.85(2) . ?
C03K C07Q 1.45(2) . ?
C03K C06T 1.46(2) . ?
C03K C04V 1.46(2) . ?
C03L C033 1.58(2) . ?
C03L H03D 0.9800 . ?
C03L H03E 0.9800 . ?
C03L H03G 0.9800 . ?
C03M C085 1.46(4) . ?
C03M C082 1.54(4) . ?
C03M S23 1.94(3) . ?
C03N C06M 1.50(2) . ?
C03N H03V 0.9800 . ?
C03N H03X 0.9800 . ?
C03N H03Y 0.9800 . ?
C03O C054 1.368(17) . ?
C03O P29 1.85(2) . ?
C03P C05V 1.381(16) . ?
C03P C04I 1.381(16) . ?
C03Q C030 1.53(4) . ?
C03Q H03I 0.9800 . ?
C03Q H03J 0.9800 . ?
C03Q H03K 0.9800 . ?
C03R H03Z 0.9800 . ?
C03R H 0.9800 . ?
C03R HA 0.9800 . ?
C03S C06D 1.332(16) . ?
C03S H03S 0.9500 . ?
C03T C4 1.48(2) . ?
C03T C07K 1.50(2) . ?
C03U C048 1.48(2) . ?
C03U H03 0.9800 . ?
C03U HB 0.9800 . ?
C03U HC 0.9800 . ?
C03V C045 1.52(4) . ?
C03V H1 0.9800 . ?
C03V HD 0.9800 . ?
C03V HE 0.9800 . ?
C03W C05W 1.420(18) . ?
C03W C043 1.422(18) . ?
C03W H03W 0.9500 . ?
C03X H3 0.9800 . ?
C03X HF 0.9800 . ?
C03X HG 0.9800 . ?
C03Y C05Z 1.386(18) . ?
C03Y C057 1.391(18) . ?
C03Y H4 0.9500 . ?
C03Z C05R 1.392(17) . ?
C03Z C034 1.394(17) . ?
Cu03 Cu05 2.632(5) . ?
Cu03 Cu04 2.635(5) . ?
Cu03 H37 1.955(4) . ?
Cu03 H46 1.855(3) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C04A C044 1.366(18) . ?
C04A C05I 1.376(18) . ?
C04A H04J 0.9500 . ?
C04C C05D 1.367(17) . ?
C04C H04C 0.9500 . ?
C04D C04W 1.343(18) . ?
C04D C06G 1.348(18) . ?
C04E C04X 1.391(18) . ?
C04E C031 1.392(18) . ?
C04E H04K 0.9500 . ?
C04F H04M 0.9800 . ?
C04F H04N 0.9800 . ?
C04F H04P 0.9800 . ?
C04G C08K 1.399(19) . ?
C04G C067 1.406(19) . ?
C04G H04G 0.9500 . ?
C04H C08T 1.386(18) . ?
C04H C098 1.386(18) . ?
C04I C069 1.381(16) . ?
C04I H04I 0.9500 . ?
C04J H04Q 0.9800 . ?
C04J H04T 0.9800 . ?
C04J H04U 0.9800 . ?
C04L C066 1.424(19) . ?
C04L C043 1.425(18) . ?
C04L H04L 0.9500 . ?
C04N C06F 1.362(17) . ?
C04N C05A 1.371(17) . ?
C04O C05H 1.376(16) . ?
C04O H04O 0.9500 . ?
C04P C076 1.51(2) . ?
C04P C089 1.52(2) . ?
C04P C07F 1.53(2) . ?
C04P S27 1.88(3) . ?
C04Q C05G 1.46(2) . ?
C04Q C068 1.46(2) . ?
C04Q C05Q 1.48(2) . ?
C04R C5 1.400(17) . ?
C04R C047 1.405(17) . ?
C04R H04R 0.9500 . ?
C04S C06V 1.347(16) . ?
C04S H04S 0.9500 . ?
C04U C048 1.49(2) . ?
C04U H04V 0.9800 . ?
C04U H04X 0.9800 . ?
C04U H04Y 0.9800 . ?
C04V H04A 0.9800 . ?
C04V H04B 0.9800 . ?
C04V H04D 0.9800 . ?
C04W C08E 1.346(18) . ?
C04W H04W 0.9500 . ?
C04X C086 1.395(18) . ?
C04X H04Z 0.9500 . ?
C04Y C05U 1.393(18) . ?
C04Y C057 1.394(18) . ?
C04Y H04 0.9500 . ?
C04Z C15 1.32(2) . ?
C04Z H7 0.9800 . ?
C04Z HH 0.9800 . ?
C04Z HI 0.9800 . ?
Cu04 Cu05 2.659(5) . ?
Cu04 H37 1.777(4) . ?
Cu04 H48 1.754(4) . ?
Cu04 H62 1.752(4) . ?
C5 C11 1.398(17) . ?
C5 H5 0.9500 . ?
C05B C05D 1.363(17) . ?
C05B C054 1.364(17) . ?
C05B H05B 0.9500 . ?
C05C C064 1.375(16) . ?
C05C H05C 0.9500 . ?
C05D H05D 0.9500 . ?
C05E C044 1.366(18) . ?
C05E C06W 1.377(18) . ?
C05E H05L 0.9500 . ?
C05F C04B 1.393(18) . ?
C05F C05R 1.399(18) . ?
C05F H05M 0.9500 . ?
C04B C02Z 1.395(18) . ?
C04B H8 0.9500 . ?
C02Z C034 1.407(17) . ?
C02Z H02Z 0.9500 . ?
C05G H05N 0.9800 . ?
C05G H05O 0.9800 . ?
C05G H05P 0.9800 . ?
C05H H05H 0.9500 . ?
C05I C05N 1.368(18) . ?
C05I H05Q 0.9500 . ?
C05K C41 1.424(19) . ?
C05K C43 1.431(19) . ?
C05N C06W 1.364(18) . ?
C05N H05R 0.9500 . ?
C05O C07U 1.430(19) . ?
C05O C08Y 1.443(19) . ?
C05O H05S 0.9500 . ?
C05P C063 1.319(17) . ?
C05P C07N 1.331(17) . ?
C05P H05T 0.9500 . ?
C05Q H05U 0.9800 . ?
C05Q H05X 0.9800 . ?
C05Q H05Y 0.9800 . ?
C05R H05Z 0.9500 . ?
C05T H05A 0.9800 . ?
C05T H05E 0.9800 . ?
C05T H05F 0.9800 . ?
C05U C055 1.386(18) . ?
C05U H05 0.9500 . ?
C05V C058 1.377(16) . ?
C05V H05V 0.9500 . ?
C05W C080 1.421(18) . ?
C05W H05W 0.9500 . ?
C05Y C046 1.48(2) . ?
C05Y H05G 0.9800 . ?
C05Y H05I 0.9800 . ?
C05Y H05J 0.9800 . ?
C05Z C055 1.399(18) . ?
C05Z H9 0.9500 . ?
Cu05 H37 2.044(4) . ?
Cu05 H54 1.905(4) . ?
C06B H06A 0.9800 . ?
C06B H06B 0.9800 . ?
C06B H06C 0.9800 . ?
C06D C06U 1.345(16) . ?
C06D H06D 0.9500 . ?
C06E C27 1.52(2) . ?
C06E H06Q 0.9800 . ?
C06E H06S 0.9800 . ?
C06E H06T 0.9800 . ?
C06F C08M 1.374(17) . ?
C06F H06F 0.9500 . ?
C06G C062 1.352(18) . ?
C06G H06G 0.9500 . ?
C06H C27 1.52(2) . ?
C06H H06W 0.9800 . ?
C06H H06X 0.9800 . ?
C06H H06Y 0.9800 . ?
C06J C032 1.363(18) . ?
C06J C06X 1.365(17) . ?
C06J H06Z 0.9500 . ?
C06L H06E 0.9800 . ?
C06L H06H 0.9800 . ?
C06L H06I 0.9800 . ?
C06M C090 1.50(2) . ?
C06M C072 1.50(2) . ?
C06M S25 1.82(3) . ?
C06N C08L 1.49(2) . ?
C06N C088 1.49(2) . ?
C06P C069 1.375(16) . ?
C06P C058 1.384(16) . ?
C06P H06P 0.9500 . ?
C06R C067 1.396(19) . ?
C06R C053 1.407(19) . ?
C06R H06R 0.9500 . ?
C06S C08O 1.49(2) . ?
C06S H06J 0.9800 . ?
C06S H06K 0.9800 . ?
C06S H06L 0.9800 . ?
C06T H06M 0.9800 . ?
C06T H06N 0.9800 . ?
C06T H06O 0.9800 . ?
C06U C06V 1.340(16) . ?
C06U H06U 0.9500 . ?
C06V H06V 0.9500 . ?
C06W H06 0.9500 . ?
C06Z C08U 1.45(2) . ?
C06Z C09N 1.46(2) . ?
C06Z C099 1.46(2) . ?
Cu06 Cu08 2.615(5) . ?
Cu06 H58 1.872(4) . ?
C7 C73 1.340(19) . ?
C7 C07M 1.355(19) . ?
C7 H7A 0.9500 . ?
C07D C09E 1.51(2) . ?
C07D H07A 0.9800 . ?
C07D H07B 0.9800 . ?
C07D H07C 0.9800 . ?
C07F H07D 0.9800 . ?
C07F H07E 0.9800 . ?
C07F H07F 0.9800 . ?
C07G H07G 0.9800 . ?
C07G H07H 0.9800 . ?
C07G H07I 0.9800 . ?
C07H C45 1.44(2) . ?
C07H C095 1.45(2) . ?
C07H S26 1.79(4) . ?
C07I C062 1.347(18) . ?
C07I C08E 1.349(18) . ?
C07I H07J 0.9500 . ?
C07J C09W 1.48(2) . ?
C07J H07U 0.9800 . ?
C07J H07V 0.9800 . ?
C07J H07W 0.9800 . ?
C07K H07X 0.9800 . ?
C07K H07Y 0.9800 . ?
C07K HJ 0.9800 . ?
C07M C29 1.355(19) . ?
C07M H07Z 0.9500 . ?
C07N C049 1.328(17) . ?
C07N H07 0.9500 . ?
C07O H07K 0.9800 . ?
C07O H07L 0.9800 . ?
C07O H07M 0.9800 . ?
C07P C26 1.33(2) . ?
C07P C36 1.34(2) . ?
C07P H07P 0.9500 . ?
C07Q H07N 0.9800 . ?
C07Q H07O 0.9800 . ?
C07Q H07Q 0.9800 . ?
C07U C14 1.44(2) . ?
C07U H10 0.9500 . ?
C07W C07Z 1.373(16) . ?
C07W C08W 1.378(16) . ?
C07W H12 0.9500 . ?
C07Y H14 0.9800 . ?
C07Y HK 0.9800 . ?
C07Y HL 0.9800 . ?
C07Z C08I 1.380(16) . ?
C07Z H15 0.9500 . ?
Cu07 Cu09 2.495(6) . ?
Cu07 H49 1.746(4) . ?
Cu07 H57 1.919(4) . ?
C8 C29 1.344(19) . ?
C8 H8A 0.9500 . ?
C08E H08E 0.9500 . ?
C08F C08I 1.378(16) . ?
C08F C08V 1.378(16) . ?
C08G C046 1.50(2) . ?
C08G H08A 0.9800 . ?
C08G H08B 0.9800 . ?
C08G H08C 0.9800 . ?
C08I H08Z 0.9500 . ?
C08K H08K 0.9500 . ?
C08L H08D 0.9800 . ?
C08L H08F 0.9800 . ?
C08L H08G 0.9800 . ?
C08M C13 1.361(17) . ?
C08M H08M 0.9500 . ?
C08O C30 1.49(2) . ?
C08O C081 1.49(2) . ?
C08P C52 1.433(14) . ?
C08P C87 1.484(18) . ?
C08S C41 1.423(19) . ?
C08S C24 1.423(19) . ?
C08S H08 0.9500 . ?
C08T C55 1.385(18) . ?
C08T H08T 0.9500 . ?
C08U H16 0.9800 . ?
C08U HM 0.9800 . ?
C08U HN 0.9800 . ?
C08V C08W 1.376(16) . ?
C08V H17 0.9500 . ?
C08W H18 0.9500 . ?
C08X C045 1.47(4) . ?
C08X H19 0.9800 . ?
C08X HO 0.9800 . ?
C08X HP 0.9800 . ?
C08Y C056 1.442(19) . ?
C08Y H21 0.9500 . ?
C08Z C09W 1.50(2) . ?
C08Z H22 0.9800 . ?
C08Z HQ 0.9800 . ?
C08Z HR 0.9800 . ?
Cu08 Cu17 2.595(6) . ?
Cu08 H59 1.752(3) . ?
Cu08 H61 1.836(4) . ?
C9 C50 1.318(19) . ?
C9 C40 1.319(19) . ?
C9 H9A 0.9500 . ?
C09B C046 1.48(2) . ?
C09B H09A 0.9800 . ?
C09B H09B 0.9800 . ?
C09B H09C 0.9800 . ?
C09E C038 1.50(2) . ?
C09E C09M 1.52(2) . ?
C09M H09D 0.9800 . ?
C09M H09E 0.9800 . ?
C09M H09F 0.9800 . ?
C09N H09J 0.9800 . ?
C09N H09K 0.9800 . ?
C09N H09L 0.9800 . ?
C09U H09G 0.9800 . ?
C09U H09H 0.9800 . ?
C09U H09I 0.9800 . ?
C09W C33 1.50(2) . ?
C09Z C21 1.34(2) . ?
C09Z C36 1.34(2) . ?
C09Z H09Z 0.9500 . ?
Cu09 Cu14 2.604(6) . ?
Cu09 Cu18 2.628(6) . ?
Cu09 H39 1.751(4) . ?
Cu09 H42 1.750(4) . ?
Cu09 H49 1.750(4) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
Cu10 S25 2.326(10) . ?
Cu11 H45 1.946(5) . ?
C12 C15 1.32(2) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
Cu12 Cl28 2.288(10) . ?
Cu12 S25 2.325(11) . ?
C05A C6 1.365(17) . ?
C05A H05K 0.9500 . ?
C6 C13 1.362(17) . ?
C6 H6 0.9500 . ?
C13 H13 0.9500 . ?
Cu13 S21 2.229(10) . ?
Cu13 S23 2.298(11) . ?
Cu13 Cu16 3.036(6) . ?
C14 C22 1.443(19) . ?
C14 H14A 0.9500 . ?
C15 C28 1.30(2) . ?
Cu15 Cl20 2.652(10) . ?
C32 C95 1.314(19) . ?
C32 C50 1.324(19) . ?
C32 H32 0.9500 . ?
Cu16 S23 2.321(10) . ?
C17 C18 1.387(18) . ?
C17 H17A 0.9500 . ?
Cu17 S27 2.237(10) . ?
Cu17 Cl22 2.294(11) . ?
C18 C19 1.378(18) . ?
C18 H18A 0.9500 . ?
Cu18 H39 1.751(4) . ?
C19 C89 1.392(18) . ?
C19 H19A 0.9500 . ?
Cu19 S26 2.371(10) . ?
C20 C60 1.473(18) . ?
C20 C87 1.475(18) . ?
C20 H20 0.9500 . ?
S21 C030 1.93(3) . ?
C22 C056 1.444(19) . ?
C22 H22A 0.9500 . ?
C29 H29 0.9500 . ?
C24 C38 1.420(19) . ?
C24 H24 0.9500 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C27 C077 1.53(2) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C030 C041 1.55(4) . ?
C031 C037 1.393(18) . ?
C031 H031 0.9500 . ?
C032 C040 1.363(17) . ?
C033 C039 1.57(2) . ?
C033 C036 1.58(2) . ?
C034 H034 0.9500 . ?
C36 H36 0.9500 . ?
C036 H03L 0.9800 . ?
C036 H03M 0.9800 . ?
C036 H03N 0.9800 . ?
C037 C071 1.392(18) . ?
C38 C43 1.427(19) . ?
C38 H38 0.9500 . ?
C038 H03O 0.9800 . ?
C038 H03P 0.9800 . ?
C038 H03Q 0.9800 . ?
C039 H03R 0.9800 . ?
C039 H03T 0.9800 . ?
C039 H03U 0.9800 . ?
C040 C073 1.356(17) . ?
C040 H040 0.9500 . ?
C40 C65 1.316(19) . ?
C40 H40 0.9500 . ?
C041 H04E 0.9800 . ?
C041 H04F 0.9800 . ?
C041 H04H 0.9800 . ?
C41 H41 0.9500 . ?
C042 C048 1.47(2) . ?
C042 H23 0.9800 . ?
C042 HS 0.9800 . ?
C042 HT 0.9800 . ?
C43 H43 0.9500 . ?
C045 C070 1.44(4) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C047 C061 1.399(17) . ?
C049 C093 1.331(17) . ?
C52 C99 1.484(18) . ?
C52 H52 0.9500 . ?
C053 H053 0.9500 . ?
C054 H054 0.9500 . ?
C057 H057 0.9500 . ?
C058 H058 0.9500 . ?
C60 C99 1.477(18) . ?
C60 H60 0.9500 . ?
C21 C065 1.33(2) . ?
C061 C011 1.407(17) . ?
C061 H061 0.9500 . ?
C011 C11 1.405(17) . ?
C011 H011 0.9500 . ?
C11 H11 0.9500 . ?
C062 H062 0.9500 . ?
C063 C087 1.329(17) . ?
C063 H063 0.9500 . ?
C064 H064 0.9500 . ?
C065 C26 1.33(2) . ?
C065 H065 0.9500 . ?
C65 C95 1.315(19) . ?
C65 H65 0.9500 . ?
C066 C080 1.435(19) . ?
C066 H066 0.9500 . ?
C067 H067 0.9500 . ?
C068 H25 0.9800 . ?
C068 HU 0.9800 . ?
C068 HV 0.9800 . ?
C069 H069 0.9500 . ?
C070 H27 0.9800 . ?
C070 HW 0.9800 . ?
C070 HX 0.9800 . ?
C071 C086 1.398(18) . ?
C071 H071 0.9500 . ?
C072 H28 0.9800 . ?
C072 HY 0.9800 . ?
C072 HZ 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C06X C07X 1.362(17) . ?
C06X H30 0.9500 . ?
C07X C073 1.355(18) . ?
C07X H31 0.9500 . ?
C073 H073 0.9500 . ?
C076 H07R 0.9800 . ?
C076 H07S 0.9800 . ?
C076 H07T 0.9800 . ?
C077 H33 0.9800 . ?
C077 H34 0.9800 . ?
C077 H35 0.9800 . ?
C080 H080 0.9500 . ?
C081 H08H 0.9800 . ?
C081 H08I 0.9800 . ?
C081 H08J 0.9800 . ?
C082 H08L 0.9800 . ?
C082 H08N 0.9800 . ?
C082 H08O 0.9800 . ?
C085 H08P 0.9800 . ?
C085 H08Q 0.9800 . ?
C085 H08R 0.9800 . ?
C086 H086 0.9500 . ?
C87 H87 0.9500 . ?
C087 C093 1.322(17) . ?
C087 H087 0.9500 . ?
C088 H08S 0.9800 . ?
C088 H08U 0.9800 . ?
C088 H08V 0.9800 . ?
C88 C89 1.392(18) . ?
C88 H88 0.9500 . ?
C089 H08W 0.9800 . ?
C089 H08X 0.9800 . ?
C089 H08Y 0.9800 . ?
C89 H89 0.9500 . ?
C090 H09M 0.9800 . ?
C090 H09N 0.9800 . ?
C090 H09O 0.9800 . ?
C093 H093 0.9500 . ?
C095 H09P 0.9800 . ?
C095 H09Q 0.9800 . ?
C095 H09R 0.9800 . ?
C95 H95 0.9500 . ?
C098 C66 1.385(18) . ?
C098 H098 0.9500 . ?
C099 H09S 0.9800 . ?
C099 H09T 0.9800 . ?
C099 H09U 0.9800 . ?
C99 H99 0.9500 . ?
C26 H26 0.9500 . ?
Cl10 C3 1.69(3) . ?
Cl8 C3 1.70(3) . ?
Cl6 C3 1.69(3) . ?
B8 F1 1.44(2) . ?
B8 F8 1.45(2) . ?
B8 F13 1.46(2) . ?
B8 F31 1.46(2) . ?
C10 Cl19 1.702(15) . ?
C10 Cl12 1.704(15) . ?
C10 Cl11 1.704(15) . ?
C10 H10A 1.00(2) . ?
C66 C85 1.377(18) . ?
C66 H66 0.9500 . ?
C85 C55 1.383(18) . ?
C85 H85 0.9500 . ?
C55 H55 0.9500 . ?
C3 H3A 1.0000 . ?
Cl14 C16 1.73(2) . ?
Cl16 C16 1.722(16) . ?
Cl17 C16 1.720(16) . ?
C16 H16A 1.0000 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cu1B Cl Cu14 78.2(4) . . ?
C03D C0A0 H0AA 109.5 . . ?
C03D C0A0 H0AB 109.5 . . ?
H0AA C0A0 H0AB 109.5 . . ?
C03D C0A0 H0AC 109.5 . . ?
H0AA C0A0 H0AC 109.5 . . ?
H0AB C0A0 H0AC 109.5 . . ?
C03E C0A9 H0AM 109.5 . . ?
C03E C0A9 H0AN 109.5 . . ?
H0AM C0A9 H0AN 109.5 . . ?
C03E C0A9 H0AO 109.5 . . ?
H0AM C0A9 H0AO 109.5 . . ?
H0AN C0A9 H0AO 109.5 . . ?
C0AF C0AC C06B 110.6(15) . . ?
C0AF C0AC C09U 111.0(15) . . ?
C06B C0AC C09U 109.8(15) . . ?
C0AF C0AC S1P 104.4(17) . . ?
C06B C0AC S1P 113(2) . . ?
C09U C0AC S1P 108(2) . . ?
C03T C0AD H0AP 109.5 . . ?
C03T C0AD H0AQ 109.5 . . ?
H0AP C0AD H0AQ 109.5 . . ?
C03T C0AD H0AR 109.5 . . ?
H0AP C0AD H0AR 109.5 . . ?
H0AQ C0AD H0AR 109.5 . . ?
C07H C0AE H0AS 109.5 . . ?
C07H C0AE H0AT 109.5 . . ?
H0AS C0AE H0AT 109.5 . . ?
C07H C0AE H0AU 109.5 . . ?
H0AS C0AE H0AU 109.5 . . ?
H0AT C0AE H0AU 109.5 . . ?
C0AC C0AF H0AD 109.5 . . ?
C0AC C0AF H0AE 109.5 . . ?
H0AD C0AF H0AE 109.5 . . ?
C0AC C0AF H0AF 109.5 . . ?
H0AD C0AF H0AF 109.5 . . ?
H0AE C0AF H0AF 109.5 . . ?
C06N C0AH H0AG 109.5 . . ?
C06N C0AH H0AH 109.5 . . ?
H0AG C0AH H0AH 109.5 . . ?
C06N C0AH H0AI 109.5 . . ?
H0AG C0AH H0AI 109.5 . . ?
H0AH C0AH H0AI 109.5 . . ?
C03M C0AI H0AJ 109.5 . . ?
C03M C0AI H0AK 109.5 . . ?
H0AJ C0AI H0AK 109.5 . . ?
C03M C0AI H0AL 109.5 . . ?
H0AJ C0AI H0AL 109.5 . . ?
H0AK C0AI H0AL 109.5 . . ?
S2M Cu0A Cu0C 136.1(3) . . ?
S2M Cu0A Cu0G 138.9(3) . . ?
Cu0C Cu0A Cu0G 63.97(15) . . ?
S2M Cu0A Cu1D 58.1(3) . . ?
Cu0C Cu0A Cu1D 91.56(19) . . ?
Cu0G Cu0A Cu1D 155.4(2) . . ?
S2M Cu0A Cu1G 59.0(3) . . ?
Cu0C Cu0A Cu1G 158.6(2) . . ?
Cu0G Cu0A Cu1G 94.79(19) . . ?
Cu1D Cu0A Cu1G 109.5(2) . . ?
S2M Cu0A Cu0H 99.9(3) . . ?
Cu0C Cu0A Cu0H 120.04(19) . . ?
Cu0G Cu0A Cu0H 89.44(17) . . ?
Cu1D Cu0A Cu0H 106.31(18) . . ?
Cu1G Cu0A Cu0H 58.33(16) . . ?
S2M Cu0A Cu03 155.1(3) . . ?
Cu0C Cu0A Cu03 59.76(14) . . ?
Cu0G Cu0A Cu03 61.04(15) . . ?
Cu1D Cu0A Cu03 110.2(2) . . ?
Cu1G Cu0A Cu03 113.34(19) . . ?
Cu0H Cu0A Cu03 60.33(14) . . ?
S2M Cu0A Cu0M 99.4(3) . . ?
Cu0C Cu0A Cu0M 86.43(17) . . ?
Cu0G Cu0A Cu0M 119.59(19) . . ?
Cu1D Cu0A Cu0M 57.41(16) . . ?
Cu1G Cu0A Cu0M 107.51(18) . . ?
Cu0H Cu0A Cu0M 60.48(14) . . ?
Cu03 Cu0A Cu0M 58.55(14) . . ?
S2M Cu0A H44 76.9(3) . . ?
Cu0C Cu0A H44 123.5(2) . . ?
Cu0G Cu0A H44 126.6(2) . . ?
Cu1D Cu0A H44 68.06(16) . . ?
Cu1G Cu0A H44 70.00(16) . . ?
Cu0H Cu0A H44 38.43(11) . . ?
Cu03 Cu0A H44 78.28(15) . . ?
Cu0M Cu0A H44 37.74(11) . . ?
S2M Cu0A H46 128.2(3) . . ?
Cu0C Cu0A H46 46.38(12) . . ?
Cu0G Cu0A H46 92.09(18) . . ?
Cu1D Cu0A H46 70.81(17) . . ?
Cu1G Cu0A H46 143.5(2) . . ?
Cu0H Cu0A H46 86.04(16) . . ?
Cu03 Cu0A H46 42.36(11) . . ?
Cu0M Cu0A H46 40.22(11) . . ?
H44 Cu0A H46 77.22(16) . . ?
S2M Cu0A H53 110.0(3) . . ?
Cu0C Cu0A H53 49.63(13) . . ?
Cu0G Cu0A H53 49.81(13) . . ?
Cu1D Cu0A H53 112.8(2) . . ?
Cu1G Cu0A H53 115.6(2) . . ?
Cu0H Cu0A H53 139.2(2) . . ?
Cu03 Cu0A H53 94.72(17) . . ?
Cu0M Cu0A H53 135.9(2) . . ?
H44 Cu0A H53 172.6(3) . . ?
H46 Cu0A H53 96.01(18) . . ?
S1X Cu0B Cu0J 144.0(3) . . ?
S1X Cu0B Cu0I 145.3(3) . . ?
Cu0J Cu0B Cu0I 60.31(15) . . ?
S1X Cu0B Cu0W 54.7(3) . . ?
Cu0J Cu0B Cu0W 96.61(18) . . ?
Cu0I Cu0B Cu0W 156.9(2) . . ?
S1X Cu0B Cu0V 54.6(2) . . ?
Cu0J Cu0B Cu0V 159.1(2) . . ?
Cu0I Cu0B Cu0V 98.77(19) . . ?
Cu0W Cu0B Cu0V 104.32(19) . . ?
S1X Cu0B Cu01 143.0(3) . . ?
Cu0J Cu0B Cu01 61.30(15) . . ?
Cu0I Cu0B Cu01 61.36(15) . . ?
Cu0W Cu0B Cu01 109.82(18) . . ?
Cu0V Cu0B Cu01 109.97(19) . . ?
S1X Cu0B Cu06 91.0(3) . . ?
Cu0J Cu0B Cu06 118.21(19) . . ?
Cu0I Cu0B Cu06 91.15(17) . . ?
Cu0W Cu0B Cu06 101.44(17) . . ?
Cu0V Cu0B Cu06 57.49(14) . . ?
Cu01 Cu0B Cu06 56.95(13) . . ?
S1X Cu0B Cu02 90.4(3) . . ?
Cu0J Cu0B Cu02 90.35(16) . . ?
Cu0I Cu0B Cu02 118.52(19) . . ?
Cu0W Cu0B Cu02 57.63(14) . . ?
Cu0V Cu0B Cu02 100.46(16) . . ?
Cu01 Cu0B Cu02 57.17(13) . . ?
Cu06 Cu0B Cu02 54.76(12) . . ?
S1X Cu0B H47 55.4(2) . . ?
Cu0J Cu0B H47 120.2(2) . . ?
Cu0I Cu0B H47 147.9(2) . . ?
Cu0W Cu0B H47 42.59(13) . . ?
Cu0V Cu0B H47 76.73(16) . . ?
Cu01 Cu0B H47 89.87(17) . . ?
Cu06 Cu0B H47 59.27(13) . . ?
Cu02 Cu0B H47 35.23(11) . . ?
S1X Cu0B H50 138.7(3) . . ?
Cu0J Cu0B H50 33.43(11) . . ?
Cu0I Cu0B H50 39.81(12) . . ?
Cu0W Cu0B H50 119.9(2) . . ?
Cu0V Cu0B H50 129.6(2) . . ?
Cu01 Cu0B H50 78.07(15) . . ?
Cu06 Cu0B H50 127.3(2) . . ?
Cu02 Cu0B H50 122.54(19) . . ?
H47 Cu0B H50 153.4(2) . . ?
S1X Cu0B H57 121.9(3) . . ?
Cu0J Cu0B H57 48.72(12) . . ?
Cu0I Cu0B H57 92.72(17) . . ?
Cu0W Cu0B H57 69.74(15) . . ?
Cu0V Cu0B H57 139.8(2) . . ?
Cu01 Cu0B H57 44.81(11) . . ?
Cu06 Cu0B H57 84.09(15) . . ?
Cu02 Cu0B H57 41.66(10) . . ?
H47 Cu0B H57 73.37(14) . . ?
H50 Cu0B H57 81.55(15) . . ?
S1S Cu0C Cu0A 138.3(3) . . ?
S1S Cu0C Cu0D 96.7(3) . . ?
Cu0A Cu0C Cu0D 93.98(17) . . ?
S1S Cu0C Cu11 55.4(2) . . ?
Cu0A Cu0C Cu11 162.3(2) . . ?
Cu0D Cu0C Cu11 94.92(18) . . ?
S1S Cu0C Cu03 151.7(3) . . ?
Cu0A Cu0C Cu03 65.00(15) . . ?
Cu0D Cu0C Cu03 60.63(14) . . ?
Cu11 Cu0C Cu03 106.68(18) . . ?
S1S Cu0C Cu0G 139.4(3) . . ?
Cu0A Cu0C Cu0G 58.05(15) . . ?
Cu0D Cu0C Cu0G 121.55(17) . . ?
Cu11 Cu0C Cu0G 104.31(17) . . ?
Cu03 Cu0C Cu0G 61.03(14) . . ?
S1S Cu0C Cu1K 55.0(2) . . ?
Cu0A Cu0C Cu1K 96.91(18) . . ?
Cu0D Cu0C Cu1K 61.65(16) . . ?
Cu11 Cu0C Cu1K 100.77(18) . . ?
Cu03 Cu0C Cu1K 117.16(19) . . ?
Cu0G Cu0C Cu1K 154.1(2) . . ?
S1S Cu0C Cu0Q 110.4(3) . . ?
Cu0A Cu0C Cu0Q 110.04(17) . . ?
Cu0D Cu0C Cu0Q 88.59(16) . . ?
Cu11 Cu0C Cu0Q 55.01(14) . . ?
Cu03 Cu0C Cu0Q 56.48(13) . . ?
Cu0G Cu0C Cu0Q 61.92(14) . . ?
Cu1K Cu0C Cu0Q 141.4(2) . . ?
S1S Cu0C H45 84.7(3) . . ?
Cu0A Cu0C H45 131.91(18) . . ?
Cu0D Cu0C H45 52.41(12) . . ?
Cu11 Cu0C H45 47.34(13) . . ?
Cu03 Cu0C H45 68.20(13) . . ?
Cu0G Cu0C H45 107.02(16) . . ?
Cu1K Cu0C H45 94.56(18) . . ?
Cu0Q Cu0C H45 46.81(11) . . ?
S1S Cu0C H46 130.7(3) . . ?
Cu0A Cu0C H46 48.40(12) . . ?
Cu0D Cu0C H46 45.71(12) . . ?
Cu11 Cu0C H46 137.2(2) . . ?
Cu03 Cu0C H46 45.19(11) . . ?
Cu0G Cu0C H46 88.83(16) . . ?
Cu1K Cu0C H46 76.85(16) . . ?
Cu0Q Cu0C H46 100.50(16) . . ?
H45 Cu0C H46 89.93(16) . . ?
S1S Cu0C H53 113.0(3) . . ?
Cu0A Cu0C H53 44.36(12) . . ?
Cu0D Cu0C H53 138.25(19) . . ?
Cu11 Cu0C H53 125.8(2) . . ?
Cu03 Cu0C H53 95.23(16) . . ?
Cu0G Cu0C H53 46.28(12) . . ?
Cu1K Cu0C H53 112.19(19) . . ?
Cu0Q Cu0C H53 106.43(17) . . ?
H45 Cu0C H53 153.0(2) . . ?
H46 Cu0C H53 92.76(17) . . ?
S1S Cu0C H63 105.3(3) . . ?
Cu0A Cu0C H63 101.15(18) . . ?
Cu0D Cu0C H63 124.7(2) . . ?
Cu11 Cu0C H63 61.29(14) . . ?
Cu03 Cu0C H63 78.57(14) . . ?
Cu0G Cu0C H63 43.11(11) . . ?
Cu1K Cu0C H63 160.1(2) . . ?
Cu0Q Cu0C H63 36.27(11) . . ?
H45 Cu0C H63 79.59(14) . . ?
H46 Cu0C H63 121.80(19) . . ?
H53 Cu0C H63 76.21(14) . . ?
S26 Cu0D Cu0M 136.8(3) . . ?
S26 Cu0D Cu0C 99.3(3) . . ?
Cu0M Cu0D Cu0C 89.82(17) . . ?
S26 Cu0D Cu05 139.9(3) . . ?
Cu0M Cu0D Cu05 58.17(15) . . ?
Cu0C Cu0D Cu05 119.66(18) . . ?
S26 Cu0D Cu0T 55.0(3) . . ?
Cu0M Cu0D Cu0T 164.8(2) . . ?
Cu0C Cu0D Cu0T 97.69(17) . . ?
Cu05 Cu0D Cu0T 106.74(18) . . ?
S26 Cu0D Cu03 154.1(3) . . ?
Cu0M Cu0D Cu03 63.29(14) . . ?
Cu0C Cu0D Cu03 59.82(14) . . ?
Cu05 Cu0D Cu03 60.14(14) . . ?
Cu0T Cu0D Cu03 109.40(17) . . ?
S26 Cu0D Cu1K 56.0(3) . . ?
Cu0M Cu0D Cu1K 94.48(19) . . ?
Cu0C Cu0D Cu1K 60.90(16) . . ?
Cu05 Cu0D Cu1K 152.0(2) . . ?
Cu0T Cu0D Cu1K 100.67(18) . . ?
Cu03 Cu0D Cu1K 115.8(2) . . ?
S26 Cu0D Cu0F 111.1(3) . . ?
Cu0M Cu0D Cu0F 111.25(17) . . ?
Cu0C Cu0D Cu0F 88.97(16) . . ?
Cu05 Cu0D Cu0F 63.77(14) . . ?
Cu0T Cu0D Cu0F 56.08(14) . . ?
Cu03 Cu0D Cu0F 57.61(13) . . ?
Cu1K Cu0D Cu0F 140.65(19) . . ?
S26 Cu0D H46 130.8(3) . . ?
Cu0M Cu0D H46 46.15(12) . . ?
Cu0C Cu0D H46 43.83(11) . . ?
Cu05 Cu0D H46 87.48(16) . . ?
Cu0T Cu0D H46 138.7(2) . . ?
Cu03 Cu0D H46 44.74(11) . . ?
Cu1K Cu0D H46 75.48(17) . . ?
Cu0F Cu0D H46 100.90(16) . . ?
S26 Cu0D H54 107.8(3) . . ?
Cu0M Cu0D H54 51.37(14) . . ?
Cu0C Cu0D H54 141.1(2) . . ?
Cu05 Cu0D H54 46.40(12) . . ?
Cu0T Cu0D H54 120.6(2) . . ?
Cu03 Cu0D H54 98.03(17) . . ?
Cu1K Cu0D H54 113.2(2) . . ?
Cu0F Cu0D H54 106.11(19) . . ?
H46 Cu0D H54 97.51(18) . . ?
S25 Cu0E Cu0H 134.8(3) . . ?
S25 Cu0E Cu04 139.9(3) . . ?
Cu0H Cu0E Cu04 58.53(15) . . ?
S25 Cu0E Cu03 152.6(3) . . ?
Cu0H Cu0E Cu03 66.24(15) . . ?
Cu04 Cu0E Cu03 61.95(15) . . ?
S25 Cu0E Cu0G 95.8(3) . . ?
Cu0H Cu0E Cu0G 92.42(17) . . ?
Cu04 Cu0E Cu0G 123.39(19) . . ?
Cu03 Cu0E Cu0G 61.91(14) . . ?
S25 Cu0E Cu12 54.9(3) . . ?
Cu0H Cu0E Cu12 166.7(2) . . ?
Cu04 Cu0E Cu12 108.18(19) . . ?
Cu03 Cu0E Cu12 108.37(19) . . ?
Cu0G Cu0E Cu12 95.44(17) . . ?
S25 Cu0E Cu0P 110.6(3) . . ?
Cu0H Cu0E Cu0P 113.53(19) . . ?
Cu04 Cu0E Cu0P 64.63(15) . . ?
Cu03 Cu0E Cu0P 58.28(14) . . ?
Cu0G Cu0E Cu0P 91.64(16) . . ?
Cu12 Cu0E Cu0P 55.64(15) . . ?
S25 Cu0E Cu1H 54.1(3) . . ?
Cu0H Cu0E Cu1H 93.64(19) . . ?
Cu04 Cu0E Cu1H 150.9(2) . . ?
Cu03 Cu0E Cu1H 117.33(19) . . ?
Cu0G Cu0E Cu1H 60.49(16) . . ?
Cu12 Cu0E Cu1H 99.56(19) . . ?
Cu0P Cu0E Cu1H 142.46(19) . . ?
S25 Cu0E H48 113.0(3) . . ?
Cu0H Cu0E H48 45.03(12) . . ?
Cu04 Cu0E H48 43.17(12) . . ?
Cu03 Cu0E H48 94.37(17) . . ?
Cu0G Cu0E H48 137.4(2) . . ?
Cu12 Cu0E H48 126.5(2) . . ?
Cu0P Cu0E H48 105.57(19) . . ?
Cu1H Cu0E H48 112.0(2) . . ?
S25 Cu0E H62 107.7(3) . . ?
Cu0H Cu0E H62 101.61(19) . . ?
Cu04 Cu0E H62 43.09(12) . . ?
Cu03 Cu0E H62 78.50(16) . . ?
Cu0G Cu0E H62 127.9(2) . . ?
Cu12 Cu0E H62 65.13(15) . . ?
Cu0P Cu0E H62 36.82(11) . . ?
Cu1H Cu0E H62 161.7(2) . . ?
H48 Cu0E H62 73.53(15) . . ?
S1U Cu0F Cu0Q 147.3(3) . . ?
S1U Cu0F Cu0P 142.1(3) . . ?
Cu0Q Cu0F Cu0P 59.87(16) . . ?
S1U Cu0F Cu0T 54.7(2) . . ?
Cu0Q Cu0F Cu0T 100.98(19) . . ?
Cu0P Cu0F Cu0T 160.8(2) . . ?
S1U Cu0F Cu0X 54.7(2) . . ?
Cu0Q Cu0F Cu0X 154.6(2) . . ?
Cu0P Cu0F Cu0X 94.70(18) . . ?
Cu0T Cu0F Cu0X 104.5(2) . . ?
S1U Cu0F Cu03 142.9(3) . . ?
Cu0Q Cu0F Cu03 61.70(15) . . ?
Cu0P Cu0F Cu03 61.28(15) . . ?
Cu0T Cu0F Cu03 111.59(19) . . ?
Cu0X Cu0F Cu03 107.94(18) . . ?
S1U Cu0F Cu0D 90.7(3) . . ?
Cu0Q Cu0F Cu0D 93.28(18) . . ?
Cu0P Cu0F Cu0D 119.02(19) . . ?
Cu0T Cu0F Cu0D 58.22(14) . . ?
Cu0X Cu0F Cu0D 100.09(17) . . ?
Cu03 Cu0F Cu0D 57.85(13) . . ?
S1U Cu0F Cu05 89.8(3) . . ?
Cu0Q Cu0F Cu05 118.7(2) . . ?
Cu0P Cu0F Cu05 89.40(16) . . ?
Cu0T Cu0F Cu05 101.30(17) . . ?
Cu0X Cu0F Cu05 56.11(14) . . ?
Cu03 Cu0F Cu05 56.97(14) . . ?
Cu0D Cu0F Cu05 54.84(13) . . ?
S1U Cu0F H45 107.6(3) . . ?
Cu0Q Cu0F H45 54.46(13) . . ?
Cu0P Cu0F H45 109.72(19) . . ?
Cu0T Cu0F H45 52.95(13) . . ?
Cu0X Cu0F H45 146.9(2) . . ?
Cu03 Cu0F H45 67.94(14) . . ?
Cu0D Cu0F H45 48.73(11) . . ?
Cu05 Cu0F H45 100.86(16) . . ?
S1U Cu0F H56 125.9(3) . . ?
Cu0Q Cu0F H56 44.67(13) . . ?
Cu0P Cu0F H56 44.00(12) . . ?
Cu0T Cu0F H56 123.0(2) . . ?
Cu0X Cu0F H56 117.5(2) . . ?
Cu03 Cu0F H56 90.95(18) . . ?
Cu0D Cu0F H56 137.7(2) . . ?
Cu05 Cu0F H56 133.4(2) . . ?
H45 Cu0F H56 95.58(17) . . ?
S1O Cu0G Cu0A 136.2(3) . . ?
S1O Cu0G Cu0R 55.5(3) . . ?
Cu0A Cu0G Cu0R 166.3(2) . . ?
S1O Cu0G Cu0E 99.5(3) . . ?
Cu0A Cu0G Cu0E 90.35(17) . . ?
Cu0R Cu0G Cu0E 94.33(18) . . ?
S1O Cu0G Cu0C 142.1(3) . . ?
Cu0A Cu0G Cu0C 57.98(15) . . ?
Cu0R Cu0G Cu0C 108.55(18) . . ?
Cu0E Cu0G Cu0C 116.85(19) . . ?
S1O Cu0G Cu03 153.0(3) . . ?
Cu0A Cu0G Cu03 64.20(15) . . ?
Cu0R Cu0G Cu03 107.72(19) . . ?
Cu0E Cu0G Cu03 57.95(14) . . ?
Cu0C Cu0G Cu03 59.11(14) . . ?
S1O Cu0G Cu1H 54.4(2) . . ?
Cu0A Cu0G Cu1H 94.90(19) . . ?
Cu0R Cu0G Cu1H 98.75(19) . . ?
Cu0E Cu0G Cu1H 63.35(16) . . ?
Cu0C Cu0G Cu1H 152.4(2) . . ?
Cu03 Cu0G Cu1H 116.34(19) . . ?
S1O Cu0G Cu0Q 111.7(3) . . ?
Cu0A Cu0G Cu0Q 111.50(19) . . ?
Cu0R Cu0G Cu0Q 56.13(15) . . ?
Cu0E Cu0G Cu0Q 85.91(17) . . ?
Cu0C Cu0G Cu0Q 63.76(14) . . ?
Cu03 Cu0G Cu0Q 56.61(14) . . ?
Cu1H Cu0G Cu0Q 139.77(19) . . ?
S1O Cu0G H53 113.5(3) . . ?
Cu0A Cu0G H53 44.31(12) . . ?
Cu0R Cu0G H53 129.63(19) . . ?
Cu0E Cu0G H53 134.7(2) . . ?
Cu0C Cu0G H53 46.06(12) . . ?
Cu03 Cu0G H53 93.43(17) . . ?
Cu1H Cu0G H53 112.1(2) . . ?
Cu0Q Cu0G H53 108.00(17) . . ?
S1O Cu0G H63 108.6(3) . . ?
Cu0A Cu0G H63 101.04(18) . . ?
Cu0R Cu0G H63 65.61(15) . . ?
Cu0E Cu0G H63 122.6(2) . . ?
Cu0C Cu0G H63 43.09(11) . . ?
Cu03 Cu0G H63 77.13(16) . . ?
Cu1H Cu0G H63 162.7(2) . . ?
Cu0Q Cu0G H63 37.53(11) . . ?
H53 Cu0G H63 76.01(14) . . ?
S2B Cu0H Cu04 136.8(3) . . ?
S2B Cu0H Cu0E 141.7(3) . . ?
Cu04 Cu0H Cu0E 62.29(16) . . ?
S2B Cu0H Cu1C 58.5(3) . . ?
Cu04 Cu0H Cu1C 92.2(2) . . ?
Cu0E Cu0H Cu1C 154.4(2) . . ?
S2B Cu0H Cu1G 58.5(3) . . ?
Cu04 Cu0H Cu1G 157.8(2) . . ?
Cu0E Cu0H Cu1G 95.9(2) . . ?
Cu1C Cu0H Cu1G 109.6(2) . . ?
S2B Cu0H Cu0A 99.5(3) . . ?
Cu04 Cu0H Cu0A 120.12(19) . . ?
Cu0E Cu0H Cu0A 87.70(16) . . ?
Cu1C Cu0H Cu0A 106.03(18) . . ?
Cu1G Cu0H Cu0A 58.60(16) . . ?
S2B Cu0H Cu03 154.3(3) . . ?
Cu04 Cu0H Cu03 60.31(14) . . ?
Cu0E Cu0H Cu03 58.25(14) . . ?
Cu1C Cu0H Cu03 109.83(19) . . ?
Cu1G Cu0H Cu03 113.13(19) . . ?
Cu0A Cu0H Cu03 59.84(13) . . ?
S2B Cu0H Cu0M 99.2(3) . . ?
Cu04 Cu0H Cu0M 87.24(17) . . ?
Cu0E Cu0H Cu0M 116.58(18) . . ?
Cu1C Cu0H Cu0M 57.14(15) . . ?
Cu1G Cu0H Cu0M 107.58(18) . . ?
Cu0A Cu0H Cu0M 60.30(14) . . ?
Cu03 Cu0H Cu0M 58.34(13) . . ?
S2B Cu0H H44 76.5(3) . . ?
Cu04 Cu0H H44 124.2(2) . . ?
Cu0E Cu0H H44 124.4(2) . . ?
Cu1C Cu0H H44 67.83(16) . . ?
Cu1G Cu0H H44 70.19(17) . . ?
Cu0A Cu0H H44 38.40(11) . . ?
Cu03 Cu0H H44 77.87(15) . . ?
Cu0M Cu0H H44 37.62(12) . . ?
S2B Cu0H H48 117.8(3) . . ?
Cu04 Cu0H H48 45.36(13) . . ?
Cu0E Cu0H H48 44.96(12) . . ?
Cu1C Cu0H H48 117.8(2) . . ?
Cu1G Cu0H H48 116.8(2) . . ?
Cu0A Cu0H H48 132.7(2) . . ?
Cu03 Cu0H H48 87.85(16) . . ?
Cu0M Cu0H H48 132.4(2) . . ?
H44 Cu0H H48 165.7(2) . . ?
S27 Cu0I Cu0B 144.3(3) . . ?
S27 Cu0I Cu0J 146.3(3) . . ?
Cu0B Cu0I Cu0J 59.78(15) . . ?
S27 Cu0I Cu17 54.5(3) . . ?
Cu0B Cu0I Cu17 96.71(19) . . ?
Cu0J Cu0I Cu17 156.5(2) . . ?
S27 Cu0I Cu1A 54.9(3) . . ?
Cu0B Cu0I Cu1A 158.4(2) . . ?
Cu0J Cu0I Cu1A 98.64(19) . . ?
Cu17 Cu0I Cu1A 104.9(2) . . ?
S27 Cu0I Cu01 142.5(3) . . ?
Cu0B Cu0I Cu01 61.04(15) . . ?
Cu0J Cu0I Cu01 61.02(14) . . ?
Cu17 Cu0I Cu01 109.37(18) . . ?
Cu1A Cu0I Cu01 110.4(2) . . ?
S27 Cu0I Cu0O 90.0(3) . . ?
Cu0B Cu0I Cu0O 118.49(18) . . ?
Cu0J Cu0I Cu0O 91.63(17) . . ?
Cu17 Cu0I Cu0O 100.71(18) . . ?
Cu1A Cu0I Cu0O 57.77(15) . . ?
Cu01 Cu0I Cu0O 57.50(14) . . ?
S27 Cu0I Cu08 89.2(3) . . ?
Cu0B Cu0I Cu08 90.71(16) . . ?
Cu0J Cu0I Cu08 118.71(18) . . ?
Cu17 Cu0I Cu08 56.75(14) . . ?
Cu1A Cu0I Cu08 101.00(18) . . ?
Cu01 Cu0I Cu08 57.70(13) . . ?
Cu0O Cu0I Cu08 54.77(13) . . ?
S27 Cu0I H50 136.7(3) . . ?
Cu0B Cu0I H50 45.03(13) . . ?
Cu0J Cu0I H50 31.26(12) . . ?
Cu17 Cu0I H50 131.1(2) . . ?
Cu1A Cu0I H50 116.4(2) . . ?
Cu01 Cu0I H50 80.54(16) . . ?
Cu0O Cu0I H50 122.7(2) . . ?
Cu08 Cu0I H50 131.9(2) . . ?
S27 Cu0I H51 123.1(3) . . ?
Cu0B Cu0I H51 92.47(16) . . ?
Cu0J Cu0I H51 49.14(12) . . ?
Cu17 Cu0I H51 140.4(2) . . ?
Cu1A Cu0I H51 70.89(16) . . ?
Cu01 Cu0I H51 44.55(11) . . ?
Cu0O Cu0I H51 42.54(11) . . ?
Cu08 Cu0I H51 84.80(15) . . ?
H50 Cu0I H51 80.36(16) . . ?
S27 Cu0I H59 66.1(3) . . ?
Cu0B Cu0I H59 125.2(2) . . ?
Cu0J Cu0I H59 126.4(2) . . ?
Cu17 Cu0I H59 65.34(16) . . ?
Cu1A Cu0I H59 66.00(16) . . ?
Cu01 Cu0I H59 76.40(16) . . ?
Cu0O Cu0I H59 35.71(11) . . ?
Cu08 Cu0I H59 35.28(11) . . ?
H50 Cu0I H59 155.7(2) . . ?
H51 Cu0I H59 77.93(16) . . ?
S21 Cu0J Cu0B 146.1(3) . . ?
S21 Cu0J Cu0I 144.1(3) . . ?
Cu0B Cu0J Cu0I 59.91(15) . . ?
S21 Cu0J Cu13 54.5(3) . . ?
Cu0B Cu0J Cu13 157.0(2) . . ?
Cu0I Cu0J Cu13 97.14(19) . . ?
S21 Cu0J Cu0U 54.9(2) . . ?
Cu0B Cu0J Cu0U 98.40(19) . . ?
Cu0I Cu0J Cu0U 158.3(2) . . ?
Cu13 Cu0J Cu0U 104.6(2) . . ?
S21 Cu0J Cu01 142.7(3) . . ?
Cu0B Cu0J Cu01 61.14(14) . . ?
Cu0I Cu0J Cu01 61.18(14) . . ?
Cu13 Cu0J Cu01 108.9(2) . . ?
Cu0U Cu0J Cu01 110.66(18) . . ?
S21 Cu0J Cu07 90.4(3) . . ?
Cu0B Cu0J Cu07 91.17(15) . . ?
Cu0I Cu0J Cu07 118.61(18) . . ?
Cu13 Cu0J Cu07 100.34(18) . . ?
Cu0U Cu0J Cu07 57.94(14) . . ?
Cu01 Cu0J Cu07 57.45(13) . . ?
S21 Cu0J Cu0L 90.4(3) . . ?
Cu0B Cu0J Cu0L 117.73(18) . . ?
Cu0I Cu0J Cu0L 90.30(17) . . ?
Cu13 Cu0J Cu0L 57.03(15) . . ?
Cu0U Cu0J Cu0L 101.58(18) . . ?
Cu01 Cu0J Cu0L 56.61(14) . . ?
Cu07 Cu0J Cu0L 54.77(13) . . ?
S21 Cu0J H50 132.9(3) . . ?
Cu0B Cu0J H50 43.96(13) . . ?
Cu0I Cu0J H50 36.28(13) . . ?
Cu13 Cu0J H50 118.0(2) . . ?
Cu0U Cu0J H50 127.6(3) . . ?
Cu01 Cu0J H50 84.07(17) . . ?
Cu07 Cu0J H50 133.2(2) . . ?
Cu0L Cu0J H50 126.4(2) . . ?
S21 Cu0J H51 121.8(3) . . ?
Cu0B Cu0J H51 92.09(16) . . ?
Cu0I Cu0J H51 48.46(12) . . ?
Cu13 Cu0J H51 69.50(16) . . ?
Cu0U Cu0J H51 141.2(2) . . ?
Cu01 Cu0J H51 44.62(11) . . ?
Cu07 Cu0J H51 84.78(16) . . ?
Cu0L Cu0J H51 41.90(11) . . ?
H50 Cu0J H51 84.69(18) . . ?
S21 Cu0J H57 123.1(3) . . ?
Cu0B Cu0J H57 49.05(12) . . ?
Cu0I Cu0J H57 92.64(16) . . ?
Cu13 Cu0J H57 139.7(2) . . ?
Cu0U Cu0J H57 70.93(15) . . ?
Cu01 Cu0J H57 44.74(11) . . ?
Cu07 Cu0J H57 42.16(10) . . ?
Cu0L Cu0J H57 84.04(15) . . ?
H50 Cu0J H57 92.25(18) . . ?
H51 Cu0J H57 89.10(16) . . ?
S2D Cu0K Cu0O 137.5(3) . . ?
S2D Cu0K Cu08 137.4(3) . . ?
Cu0O Cu0K Cu08 63.84(15) . . ?
S2D Cu0K Cu1J 57.5(3) . . ?
Cu0O Cu0K Cu1J 158.1(2) . . ?
Cu08 Cu0K Cu1J 94.4(2) . . ?
S2D Cu0K Cu14 58.2(3) . . ?
Cu0O Cu0K Cu14 93.82(19) . . ?
Cu08 Cu0K Cu14 157.5(2) . . ?
Cu1J Cu0K Cu14 107.7(2) . . ?
S2D Cu0K Cu01 155.1(3) . . ?
Cu0O Cu0K Cu01 60.40(15) . . ?
Cu08 Cu0K Cu01 60.78(15) . . ?
Cu1J Cu0K Cu01 112.7(2) . . ?
Cu14 Cu0K Cu01 111.55(19) . . ?
S2D Cu0K Cu0N 99.7(3) . . ?
Cu0O Cu0K Cu0N 119.6(2) . . ?
Cu08 Cu0K Cu0N 88.81(18) . . ?
Cu1J Cu0K Cu0N 58.79(16) . . ?
Cu14 Cu0K Cu0N 105.48(18) . . ?
Cu01 Cu0K Cu0N 59.28(14) . . ?
S2D Cu0K Cu09 99.6(3) . . ?
Cu0O Cu0K Cu09 88.55(17) . . ?
Cu08 Cu0K Cu09 119.9(2) . . ?
Cu1J Cu0K Cu09 105.80(18) . . ?
Cu14 Cu0K Cu09 57.96(16) . . ?
Cu01 Cu0K Cu09 59.20(14) . . ?
Cu0N Cu0K Cu09 58.88(14) . . ?
S2D Cu0K H42 76.5(3) . . ?
Cu0O Cu0K H42 125.2(2) . . ?
Cu08 Cu0K H42 126.0(2) . . ?
Cu1J Cu0K H42 68.74(16) . . ?
Cu14 Cu0K H42 67.70(17) . . ?
Cu01 Cu0K H42 78.66(16) . . ?
Cu0N Cu0K H42 38.03(11) . . ?
Cu09 Cu0K H42 37.29(11) . . ?
S2D Cu0K H61 113.0(3) . . ?
Cu0O Cu0K H61 47.47(13) . . ?
Cu08 Cu0K H61 47.44(13) . . ?
Cu1J Cu0K H61 116.3(2) . . ?
Cu14 Cu0K H61 116.1(2) . . ?
Cu01 Cu0K H61 91.83(17) . . ?
Cu0N Cu0K H61 136.2(2) . . ?
Cu09 Cu0K H61 136.0(2) . . ?
H42 Cu0K H61 170.5(3) . . ?
S23 Cu0L Cu09 136.3(3) . . ?
S23 Cu0L Cu01 152.3(3) . . ?
Cu09 Cu0L Cu01 65.06(15) . . ?
S23 Cu0L Cu13 55.3(3) . . ?
Cu09 Cu0L Cu13 164.4(2) . . ?
Cu01 Cu0L Cu13 108.57(19) . . ?
S23 Cu0L Cu07 140.9(3) . . ?
Cu09 Cu0L Cu07 58.58(15) . . ?
Cu01 Cu0L Cu07 60.57(14) . . ?
Cu13 Cu0L Cu07 105.8(2) . . ?
S23 Cu0L Cu0O 96.7(3) . . ?
Cu09 Cu0L Cu0O 92.30(18) . . ?
Cu01 Cu0L Cu0O 60.54(14) . . ?
Cu13 Cu0L Cu0O 96.57(18) . . ?
Cu07 Cu0L Cu0O 120.90(18) . . ?
S23 Cu0L Cu1B 55.3(3) . . ?
Cu09 Cu0L Cu1B 94.24(19) . . ?
Cu01 Cu0L Cu1B 115.75(19) . . ?
Cu13 Cu0L Cu1B 101.27(19) . . ?
Cu07 Cu0L Cu1B 152.3(2) . . ?
Cu0O Cu0L Cu1B 60.57(16) . . ?
S23 Cu0L Cu0J 111.4(3) . . ?
Cu09 Cu0L Cu0J 111.35(18) . . ?
Cu01 Cu0L Cu0J 57.17(13) . . ?
Cu13 Cu0L Cu0J 56.14(14) . . ?
Cu07 Cu0L Cu0J 62.49(14) . . ?
Cu0O Cu0L Cu0J 89.51(16) . . ?
Cu1B Cu0L Cu0J 141.77(19) . . ?
S23 Cu0L H49 116.1(3) . . ?
Cu09 Cu0L H49 45.05(13) . . ?
Cu01 Cu0L H49 91.47(16) . . ?
Cu13 Cu0L H49 124.2(2) . . ?
Cu07 Cu0L H49 41.43(12) . . ?
Cu0O Cu0L H49 137.2(2) . . ?
Cu1B Cu0L H49 116.0(2) . . ?
Cu0J Cu0L H49 102.03(18) . . ?
S23 Cu0L H51 108.5(3) . . ?
Cu09 Cu0L H51 108.81(18) . . ?
Cu01 Cu0L H51 44.97(11) . . ?
Cu13 Cu0L H51 69.11(16) . . ?
Cu07 Cu0L H51 91.71(17) . . ?
Cu0O Cu0L H51 47.16(12) . . ?
Cu1B Cu0L H51 103.48(18) . . ?
Cu0J Cu0L H51 42.41(11) . . ?
H49 Cu0L H51 131.8(2) . . ?
S2J Cu0M Cu05 137.9(3) . . ?
S2J Cu0M Cu0D 137.7(3) . . ?
Cu05 Cu0M Cu0D 63.27(16) . . ?
S2J Cu0M Cu1C 57.8(3) . . ?
Cu05 Cu0M Cu1C 94.13(19) . . ?
Cu0D Cu0M Cu1C 157.2(2) . . ?
S2J Cu0M Cu1D 57.6(3) . . ?
Cu05 Cu0M Cu1D 156.8(2) . . ?
Cu0D Cu0M Cu1D 93.78(19) . . ?
Cu1C Cu0M Cu1D 108.5(2) . . ?
S2J Cu0M Cu03 154.4(3) . . ?
Cu05 Cu0M Cu03 60.83(15) . . ?
Cu0D Cu0M Cu03 60.80(14) . . ?
Cu1C Cu0M Cu03 112.23(19) . . ?
Cu1D Cu0M Cu03 112.41(19) . . ?
S2J Cu0M Cu0A 98.0(3) . . ?
Cu05 Cu0M Cu0A 120.97(18) . . ?
Cu0D Cu0M Cu0A 89.76(16) . . ?
Cu1C Cu0M Cu0A 105.61(19) . . ?
Cu1D Cu0M Cu0A 58.30(16) . . ?
Cu03 Cu0M Cu0A 60.17(14) . . ?
S2J Cu0M Cu0H 97.9(3) . . ?
Cu05 Cu0M Cu0H 90.01(17) . . ?
Cu0D Cu0M Cu0H 121.20(18) . . ?
Cu1C Cu0M Cu0H 57.71(15) . . ?
Cu1D Cu0M Cu0H 106.0(2) . . ?
Cu03 Cu0M Cu0H 60.44(14) . . ?
Cu0A Cu0M Cu0H 59.22(14) . . ?
S2J Cu0M H44 74.9(3) . . ?
Cu05 Cu0M H44 126.8(2) . . ?
Cu0D Cu0M H44 126.7(2) . . ?
Cu1C Cu0M H44 68.23(16) . . ?
Cu1D Cu0M H44 68.68(17) . . ?
Cu03 Cu0M H44 79.54(16) . . ?
Cu0A Cu0M H44 37.63(11) . . ?
Cu0H Cu0M H44 37.53(12) . . ?
S2J Cu0M H46 128.8(3) . . ?
Cu05 Cu0M H46 92.78(18) . . ?
Cu0D Cu0M H46 48.11(12) . . ?
Cu1C Cu0M H46 143.0(2) . . ?
Cu1D Cu0M H46 72.19(16) . . ?
Cu03 Cu0M H46 43.27(11) . . ?
Cu0A Cu0M H46 41.78(12) . . ?
Cu0H Cu0M H46 86.06(16) . . ?
H44 Cu0M H46 78.65(16) . . ?
S2J Cu0M H54 117.3(3) . . ?
Cu05 Cu0M H54 48.95(13) . . ?
Cu0D Cu0M H54 40.33(11) . . ?
Cu1C Cu0M H54 122.6(2) . . ?
Cu1D Cu0M H54 111.5(2) . . ?
Cu03 Cu0M H54 88.18(16) . . ?
Cu0A Cu0M H54 130.04(18) . . ?
Cu0H Cu0M H54 138.2(2) . . ?
H44 Cu0M H54 166.4(2) . . ?
H46 Cu0M H54 88.44(16) . . ?
S2K Cu0N Cu06 138.7(3) . . ?
S2K Cu0N Cu02 137.2(3) . . ?
Cu06 Cu0N Cu02 63.71(15) . . ?
S2K Cu0N Cu18 56.3(3) . . ?
Cu06 Cu0N Cu18 157.3(2) . . ?
Cu02 Cu0N Cu18 93.87(18) . . ?
S2K Cu0N Cu1J 58.9(3) . . ?
Cu06 Cu0N Cu1J 93.82(19) . . ?
Cu02 Cu0N Cu1J 157.4(2) . . ?
Cu18 Cu0N Cu1J 108.4(2) . . ?
S2K Cu0N Cu01 154.8(3) . . ?
Cu06 Cu0N Cu01 60.00(14) . . ?
Cu02 Cu0N Cu01 60.36(14) . . ?
Cu18 Cu0N Cu01 113.48(18) . . ?
Cu1J Cu0N Cu01 111.81(19) . . ?
S2K Cu0N Cu09 98.3(3) . . ?
Cu06 Cu0N Cu09 120.17(18) . . ?
Cu02 Cu0N Cu09 88.50(16) . . ?
Cu18 Cu0N Cu09 58.98(15) . . ?
Cu1J Cu0N Cu09 106.13(19) . . ?
Cu01 Cu0N Cu09 60.19(13) . . ?
S2K Cu0N Cu0K 99.2(3) . . ?
Cu06 Cu0N Cu0K 87.87(17) . . ?
Cu02 Cu0N Cu0K 120.42(18) . . ?
Cu18 Cu0N Cu0K 108.01(19) . . ?
Cu1J Cu0N Cu0K 57.03(15) . . ?
Cu01 Cu0N Cu0K 60.08(14) . . ?
Cu09 Cu0N Cu0K 61.04(14) . . ?
S2K Cu0N H39 97.9(3) . . ?
Cu06 Cu0N H39 121.1(2) . . ?
Cu02 Cu0N H39 62.42(14) . . ?
Cu18 Cu0N H39 41.81(13) . . ?
Cu1J Cu0N H39 138.6(2) . . ?
Cu01 Cu0N H39 73.83(14) . . ?
Cu09 Cu0N H39 38.92(12) . . ?
Cu0K Cu0N H39 99.61(17) . . ?
S2K Cu0N H42 75.6(3) . . ?
Cu06 Cu0N H42 125.1(2) . . ?
Cu02 Cu0N H42 126.4(2) . . ?
Cu18 Cu0N H42 70.20(16) . . ?
Cu1J Cu0N H42 67.40(17) . . ?
Cu01 Cu0N H42 79.29(15) . . ?
Cu09 Cu0N H42 38.90(11) . . ?
Cu0K Cu0N H42 37.98(12) . . ?
H39 Cu0N H42 74.03(14) . . ?
S2K Cu0N H58 118.9(3) . . ?
Cu06 Cu0N H58 49.00(13) . . ?
Cu02 Cu0N H58 38.81(11) . . ?
Cu18 Cu0N H58 111.3(2) . . ?
Cu1J Cu0N H58 124.4(2) . . ?
Cu01 Cu0N H58 85.94(16) . . ?
Cu09 Cu0N H58 127.3(2) . . ?
Cu0K Cu0N H58 135.8(2) . . ?
H39 Cu0N H58 96.46(19) . . ?
H42 Cu0N H58 164.2(2) . . ?
S2A Cu0O Cu0K 137.7(3) . . ?
S2A Cu0O Cu08 140.3(3) . . ?
Cu0K Cu0O Cu08 58.21(15) . . ?
S2A Cu0O Cu0L 98.3(3) . . ?
Cu0K Cu0O Cu0L 91.32(17) . . ?
Cu08 Cu0O Cu0L 119.58(19) . . ?
S2A Cu0O Cu1A 54.1(3) . . ?
Cu0K Cu0O Cu1A 164.4(2) . . ?
Cu08 Cu0O Cu1A 106.17(19) . . ?
Cu0L Cu0O Cu1A 96.86(18) . . ?
S2A Cu0O Cu01 151.9(3) . . ?
Cu0K Cu0O Cu01 64.79(15) . . ?
Cu08 Cu0O Cu01 60.60(14) . . ?
Cu0L Cu0O Cu01 59.22(14) . . ?
Cu1A Cu0O Cu01 108.34(19) . . ?
S2A Cu0O Cu1B 57.3(2) . . ?
Cu0K Cu0O Cu1B 93.89(19) . . ?
Cu08 Cu0O Cu1B 151.7(2) . . ?
Cu0L Cu0O Cu1B 60.82(16) . . ?
Cu1A Cu0O Cu1B 101.72(19) . . ?
Cu01 Cu0O Cu1B 114.79(19) . . ?
S2A Cu0O Cu0I 110.1(3) . . ?
Cu0K Cu0O Cu0I 111.16(18) . . ?
Cu08 Cu0O Cu0I 62.95(14) . . ?
Cu0L Cu0O Cu0I 88.56(16) . . ?
Cu1A Cu0O Cu0I 56.02(15) . . ?
Cu01 Cu0O Cu0I 57.02(13) . . ?
Cu1B Cu0O Cu0I 141.2(2) . . ?
S2A Cu0O H51 108.5(3) . . ?
Cu0K Cu0O H51 107.87(19) . . ?
Cu08 Cu0O H51 91.32(17) . . ?
Cu0L Cu0O H51 46.59(12) . . ?
Cu1A Cu0O H51 69.41(16) . . ?
Cu01 Cu0O H51 44.25(11) . . ?
Cu1B Cu0O H51 103.20(19) . . ?
Cu0I Cu0O H51 42.03(11) . . ?
S2A Cu0O H59 108.5(3) . . ?
Cu0K Cu0O H59 99.73(18) . . ?
Cu08 Cu0O H59 41.52(11) . . ?
Cu0L Cu0O H59 123.4(2) . . ?
Cu1A Cu0O H59 64.66(15) . . ?
Cu01 Cu0O H59 76.01(16) . . ?
Cu1B Cu0O H59 165.5(2) . . ?
Cu0I Cu0O H59 35.72(11) . . ?
H51 Cu0O H59 77.43(16) . . ?
S2A Cu0O H61 112.6(3) . . ?
Cu0K Cu0O H61 47.55(13) . . ?
Cu08 Cu0O H61 44.41(12) . . ?
Cu0L Cu0O H61 138.9(2) . . ?
Cu1A Cu0O H61 123.0(2) . . ?
Cu01 Cu0O H61 95.39(17) . . ?
Cu1B Cu0O H61 114.1(2) . . ?
Cu0I Cu0O H61 104.57(18) . . ?
H51 Cu0O H61 134.9(2) . . ?
H59 Cu0O H61 72.62(14) . . ?
S1Y Cu0P Cu0Q 142.6(3) . . ?
S1Y Cu0P Cu0F 146.4(3) . . ?
Cu0Q Cu0P Cu0F 59.52(15) . . ?
S1Y Cu0P Cu12 55.7(3) . . ?
Cu0Q Cu0P Cu12 94.0(2) . . ?
Cu0F Cu0P Cu12 153.5(2) . . ?
S1Y Cu0P Cu0Y 54.4(3) . . ?
Cu0Q Cu0P Cu0Y 161.1(2) . . ?
Cu0F Cu0P Cu0Y 101.6(2) . . ?
Cu12 Cu0P Cu0Y 104.92(19) . . ?
S1Y Cu0P Cu03 143.4(3) . . ?
Cu0Q Cu0P Cu03 61.66(15) . . ?
Cu0F Cu0P Cu03 61.49(15) . . ?
Cu12 Cu0P Cu03 109.3(2) . . ?
Cu0Y Cu0P Cu03 110.05(19) . . ?
S1Y Cu0P Cu0E 91.5(3) . . ?
Cu0Q Cu0P Cu0E 89.44(18) . . ?
Cu0F Cu0P Cu0E 117.61(18) . . ?
Cu12 Cu0P Cu0E 58.83(15) . . ?
Cu0Y Cu0P Cu0E 99.68(17) . . ?
Cu03 Cu0P Cu0E 56.13(14) . . ?
S1Y Cu0P Cu04 91.2(3) . . ?
Cu0Q Cu0P Cu04 118.55(19) . . ?
Cu0F Cu0P Cu04 93.39(17) . . ?
Cu12 Cu0P Cu04 101.69(18) . . ?
Cu0Y Cu0P Cu04 57.42(14) . . ?
Cu03 Cu0P Cu04 57.02(13) . . ?
Cu0E Cu0P Cu04 53.48(13) . . ?
S1Y Cu0P H37 116.5(3) . . ?
Cu0Q Cu0P H37 100.54(18) . . ?
Cu0F Cu0P H37 57.85(13) . . ?
Cu12 Cu0P H37 136.8(2) . . ?
Cu0Y Cu0P H37 65.06(16) . . ?
Cu03 Cu0P H37 48.14(12) . . ?
Cu0E Cu0P H37 80.72(16) . . ?
Cu04 Cu0P H37 36.16(10) . . ?
S1Y Cu0P H56 125.3(3) . . ?
Cu0Q Cu0P H56 44.46(13) . . ?
Cu0F Cu0P H56 44.11(12) . . ?
Cu12 Cu0P H56 116.5(2) . . ?
Cu0Y Cu0P H56 123.6(2) . . ?
Cu03 Cu0P H56 91.20(16) . . ?
Cu0E Cu0P H56 133.8(2) . . ?
Cu04 Cu0P H56 137.3(2) . . ?
H37 Cu0P H56 101.92(19) . . ?
S1Y Cu0P H62 66.8(2) . . ?
Cu0Q Cu0P H62 125.8(2) . . ?
Cu0F Cu0P H62 127.5(2) . . ?
Cu12 Cu0P H62 67.55(16) . . ?
Cu0Y Cu0P H62 63.22(15) . . ?
Cu03 Cu0P H62 76.72(16) . . ?
Cu0E Cu0P H62 36.83(11) . . ?
Cu04 Cu0P H62 34.83(11) . . ?
H37 Cu0P H62 70.99(14) . . ?
H56 Cu0P H62 167.9(3) . . ?
S1N Cu0Q Cu0F 144.0(3) . . ?
S1N Cu0Q Cu0P 147.7(3) . . ?
Cu0F Cu0Q Cu0P 60.62(15) . . ?
S1N Cu0Q Cu11 55.0(2) . . ?
Cu0F Cu0Q Cu11 94.63(19) . . ?
Cu0P Cu0Q Cu11 155.2(2) . . ?
S1N Cu0Q Cu0R 55.1(2) . . ?
Cu0F Cu0Q Cu0R 159.3(2) . . ?
Cu0P Cu0Q Cu0R 98.71(19) . . ?
Cu11 Cu0Q Cu0R 106.0(2) . . ?
S1N Cu0Q Cu03 139.9(3) . . ?
Cu0F Cu0Q Cu03 61.79(15) . . ?
Cu0P Cu0Q Cu03 61.54(14) . . ?
Cu11 Cu0Q Cu03 107.72(18) . . ?
Cu0R Cu0Q Cu03 109.58(19) . . ?
S1N Cu0Q Cu0G 87.3(3) . . ?
Cu0F Cu0Q Cu0G 119.58(19) . . ?
Cu0P Cu0Q Cu0G 93.01(17) . . ?
Cu11 Cu0Q Cu0G 99.40(18) . . ?
Cu0R Cu0Q Cu0G 56.86(15) . . ?
Cu03 Cu0Q Cu0G 57.92(14) . . ?
S1N Cu0Q Cu0C 88.5(2) . . ?
Cu0F Cu0Q Cu0C 89.14(17) . . ?
Cu0P Cu0Q Cu0C 117.62(18) . . ?
Cu11 Cu0Q Cu0C 56.56(14) . . ?
Cu0R Cu0Q Cu0C 101.34(18) . . ?
Cu03 Cu0Q Cu0C 56.08(13) . . ?
Cu0G Cu0Q Cu0C 54.32(13) . . ?
S1N Cu0Q H56 129.0(3) . . ?
Cu0F Cu0Q H56 44.76(13) . . ?
Cu0P Cu0Q H56 44.44(13) . . ?
Cu11 Cu0Q H56 119.0(2) . . ?
Cu0R Cu0Q H56 121.4(2) . . ?
Cu03 Cu0Q H56 91.08(17) . . ?
Cu0G Cu0Q H56 137.3(2) . . ?
Cu0C Cu0Q H56 133.8(2) . . ?
S1N Cu0Q H63 61.7(2) . . ?
Cu0F Cu0Q H63 125.3(2) . . ?
Cu0P Cu0Q H63 129.6(2) . . ?
Cu11 Cu0Q H63 62.43(15) . . ?
Cu0R Cu0Q H63 66.16(16) . . ?
Cu03 Cu0Q H63 78.22(16) . . ?
Cu0G Cu0Q H63 37.54(11) . . ?
Cu0C Cu0Q H63 36.26(11) . . ?
H56 Cu0Q H63 168.8(2) . . ?
S1N Cu0R Cl28 122.7(4) . . ?
S1N Cu0R S1O 124.8(4) . . ?
Cl28 Cu0R S1O 109.6(4) . . ?
S1N Cu0R Cu0Q 55.9(2) . . ?
Cl28 Cu0R Cu0Q 108.3(3) . . ?
S1O Cu0R Cu0Q 124.0(3) . . ?
S1N Cu0R Cu0G 94.4(3) . . ?
Cl28 Cu0R Cu0G 132.9(3) . . ?
S1O Cu0R Cu0G 57.0(2) . . ?
Cu0Q Cu0R Cu0G 67.02(16) . . ?
S1N Cu0R Cu10 164.2(3) . . ?
Cl28 Cu0R Cu10 60.8(3) . . ?
S1O Cu0R Cu10 48.8(2) . . ?
Cu0Q Cu0R Cu10 139.6(2) . . ?
Cu0G Cu0R Cu10 91.78(17) . . ?
P2L Cu0S S24 129.4(4) . . ?
P2L Cu0S S1R 137.7(5) . . ?
S24 Cu0S S1R 88.4(3) . . ?
P2L Cu0S Cl1T 99.1(4) . . ?
S24 Cu0S Cl1T 94.4(3) . . ?
S1R Cu0S Cl1T 95.3(3) . . ?
P2L Cu0S Cu0U 129.9(4) . . ?
S24 Cu0S Cu0U 93.8(3) . . ?
S1R Cu0S Cu0U 48.6(2) . . ?
Cl1T Cu0S Cu0U 46.8(2) . . ?
P2L Cu0S Cu0W 124.2(4) . . ?
S24 Cu0S Cu0W 48.5(2) . . ?
S1R Cu0S Cu0W 94.0(3) . . ?
Cl1T Cu0S Cu0W 45.9(2) . . ?
Cu0U Cu0S Cu0W 63.12(14) . . ?
S1U Cu0T S26 128.0(4) . . ?
S1U Cu0T Cl2C 121.8(4) . . ?
S26 Cu0T Cl2C 108.9(4) . . ?
S1U Cu0T Cu0F 56.6(2) . . ?
S26 Cu0T Cu0F 121.2(3) . . ?
Cl2C Cu0T Cu0F 105.8(3) . . ?
S1U Cu0T Cu0D 96.9(3) . . ?
S26 Cu0T Cu0D 55.5(3) . . ?
Cl2C Cu0T Cu0D 127.9(3) . . ?
Cu0F Cu0T Cu0D 65.70(15) . . ?
S21 Cu0U S1R 127.9(4) . . ?
S21 Cu0U Cl1T 122.1(4) . . ?
S1R Cu0U Cl1T 108.9(4) . . ?
S21 Cu0U Cu0J 55.1(2) . . ?
S1R Cu0U Cu0J 121.6(3) . . ?
Cl1T Cu0U Cu0J 106.1(3) . . ?
S21 Cu0U Cu07 96.0(3) . . ?
S1R Cu0U Cu07 55.6(3) . . ?
Cl1T Cu0U Cu07 128.0(3) . . ?
Cu0J Cu0U Cu07 65.97(16) . . ?
S21 Cu0U Cu0S 168.4(3) . . ?
S1R Cu0U Cu0S 49.4(3) . . ?
Cl1T Cu0U Cu0S 59.5(2) . . ?
Cu0J Cu0U Cu0S 136.5(2) . . ?
Cu07 Cu0U Cu0S 90.26(16) . . ?
S1X Cu0V S1P 129.5(4) . . ?
S1X Cu0V Cl22 120.9(4) . . ?
S1P Cu0V Cl22 108.5(4) . . ?
S1X Cu0V Cu0B 55.6(2) . . ?
S1P Cu0V Cu0B 121.3(3) . . ?
Cl22 Cu0V Cu0B 105.9(3) . . ?
S1X Cu0V Cu06 97.5(3) . . ?
S1P Cu0V Cu06 55.3(2) . . ?
Cl22 Cu0V Cu06 127.6(3) . . ?
Cu0B Cu0V Cu06 66.01(15) . . ?
S1X Cu0V Cu0Z 167.3(3) . . ?
S1P Cu0V Cu0Z 50.0(2) . . ?
Cl22 Cu0V Cu0Z 58.7(3) . . ?
Cu0B Cu0V Cu0Z 137.0(2) . . ?
Cu06 Cu0V Cu0Z 91.22(17) . . ?
S1X Cu0W Cl1T 121.5(4) . . ?
S1X Cu0W S24 128.6(4) . . ?
Cl1T Cu0W S24 108.2(4) . . ?
S1X Cu0W Cu0B 55.8(3) . . ?
Cl1T Cu0W Cu0B 107.7(3) . . ?
S24 Cu0W Cu0B 122.0(3) . . ?
S1X Cu0W Cu02 97.1(3) . . ?
Cl1T Cu0W Cu02 129.5(3) . . ?
S24 Cu0W Cu02 55.5(3) . . ?
Cu0B Cu0W Cu02 66.46(15) . . ?
S1X Cu0W Cu0S 166.8(3) . . ?
Cl1T Cu0W Cu0S 59.5(3) . . ?
S24 Cu0W Cu0S 48.7(2) . . ?
Cu0B Cu0W Cu0S 137.5(2) . . ?
Cu02 Cu0W Cu0S 90.33(17) . . ?
S1X Cu0W H47 56.0(2) . . ?
Cl1T Cu0W H47 148.7(3) . . ?
S24 Cu0W H47 88.2(3) . . ?
Cu0B Cu0W H47 42.45(12) . . ?
Cu02 Cu0W H47 41.21(12) . . ?
Cu0S Cu0W H47 131.2(2) . . ?
S1U Cu0X S1Q 130.4(4) . . ?
S1U Cu0X Cl20 123.6(4) . . ?
S1Q Cu0X Cl20 103.6(3) . . ?
S1U Cu0X Cu05 98.6(3) . . ?
S1Q Cu0X Cu05 56.1(2) . . ?
Cl20 Cu0X Cu05 128.2(3) . . ?
S1U Cu0X Cu0F 56.1(3) . . ?
S1Q Cu0X Cu0F 123.7(3) . . ?
Cl20 Cu0X Cu0F 110.0(3) . . ?
Cu05 Cu0X Cu0F 67.64(16) . . ?
S1Y Cu0Y S1V 131.4(4) . . ?
S1Y Cu0Y Cl20 119.2(4) . . ?
S1V Cu0Y Cl20 108.6(4) . . ?
S1Y Cu0Y Cu0P 55.2(3) . . ?
S1V Cu0Y Cu0P 121.6(3) . . ?
Cl20 Cu0Y Cu0P 104.8(3) . . ?
S1Y Cu0Y Cu04 98.4(3) . . ?
S1V Cu0Y Cu04 54.8(3) . . ?
Cl20 Cu0Y Cu04 127.9(3) . . ?
Cu0P Cu0Y Cu04 66.87(15) . . ?
S1Y Cu0Y Cu15 167.5(3) . . ?
S1V Cu0Y Cu15 50.6(3) . . ?
Cl20 Cu0Y Cu15 58.2(3) . . ?
Cu0P Cu0Y Cu15 136.6(2) . . ?
Cu04 Cu0Y Cu15 91.72(18) . . ?
P29 Cu0Z S1W 138.0(4) . . ?
P29 Cu0Z S1P 128.4(4) . . ?
S1W Cu0Z S1P 87.8(3) . . ?
P29 Cu0Z Cl22 100.7(4) . . ?
S1W Cu0Z Cl22 94.2(3) . . ?
S1P Cu0Z Cl22 96.4(3) . . ?
P29 Cu0Z Cu0V 124.4(3) . . ?
S1W Cu0Z Cu0V 94.4(3) . . ?
S1P Cu0Z Cu0V 49.0(2) . . ?
Cl22 Cu0Z Cu0V 47.5(2) . . ?
C053 C1 C08K 119.9(10) . . ?
C053 C1 P02T 122(3) . . ?
C08K C1 P02T 118(3) . . ?
Cu1A Cl1 Cu13 89.6(4) . . ?
Cu1A Cl1 Cu16 74.6(3) . . ?
Cu13 Cl1 Cu16 74.3(3) . . ?
Cu0W Cl1T Cu0U 88.1(4) . . ?
Cu0W Cl1T Cu0S 74.6(3) . . ?
Cu0U Cl1T Cu0S 73.7(3) . . ?
Cu0L Cu01 Cu06 169.8(2) . . ?
Cu0L Cu01 Cu0B 123.78(18) . . ?
Cu06 Cu01 Cu0B 65.85(15) . . ?
Cu0L Cu01 Cu0J 66.22(15) . . ?
Cu06 Cu01 Cu0J 123.37(19) . . ?
Cu0B Cu01 Cu0J 57.57(14) . . ?
Cu0L Cu01 Cu0I 94.11(16) . . ?
Cu06 Cu01 Cu0I 94.33(17) . . ?
Cu0B Cu01 Cu0I 57.60(14) . . ?
Cu0J Cu01 Cu0I 57.81(14) . . ?
Cu0L Cu01 Cu02 118.91(17) . . ?
Cu06 Cu01 Cu02 60.07(13) . . ?
Cu0B Cu01 Cu02 66.09(15) . . ?
Cu0J Cu01 Cu02 93.53(17) . . ?
Cu0I Cu01 Cu02 123.67(19) . . ?
Cu0L Cu01 Cu07 60.07(14) . . ?
Cu06 Cu01 Cu07 118.95(17) . . ?
Cu0B Cu01 Cu07 94.02(17) . . ?
Cu0J Cu01 Cu07 65.60(14) . . ?
Cu0I Cu01 Cu07 123.38(18) . . ?
Cu02 Cu01 Cu07 59.11(13) . . ?
Cu0L Cu01 Cu0O 60.24(14) . . ?
Cu06 Cu01 Cu0O 118.81(18) . . ?
Cu0B Cu01 Cu0O 123.03(18) . . ?
Cu0J Cu01 Cu0O 94.60(16) . . ?
Cu0I Cu01 Cu0O 65.48(15) . . ?
Cu02 Cu01 Cu0O 170.3(2) . . ?
Cu07 Cu01 Cu0O 120.11(18) . . ?
Cu0L Cu01 Cu08 119.47(18) . . ?
Cu06 Cu01 Cu08 59.61(14) . . ?
Cu0B Cu01 Cu08 93.51(17) . . ?
Cu0J Cu01 Cu08 123.47(18) . . ?
Cu0I Cu01 Cu08 65.67(14) . . ?
Cu02 Cu01 Cu08 119.48(17) . . ?
Cu07 Cu01 Cu08 170.6(2) . . ?
Cu0O Cu01 Cu08 59.47(14) . . ?
Cu0L Cu01 Cu0N 115.14(18) . . ?
Cu06 Cu01 Cu0N 55.29(13) . . ?
Cu0B Cu01 Cu0N 110.90(17) . . ?
Cu0J Cu01 Cu0N 146.60(19) . . ?
Cu0I Cu01 Cu0N 147.22(18) . . ?
Cu02 Cu01 Cu0N 55.42(13) . . ?
Cu07 Cu01 Cu0N 85.82(15) . . ?
Cu0O Cu01 Cu0N 115.41(18) . . ?
Cu08 Cu01 Cu0N 86.23(15) . . ?
Cu0L Cu01 Cu09 55.20(13) . . ?
Cu06 Cu01 Cu09 115.24(17) . . ?
Cu0B Cu01 Cu09 147.03(19) . . ?
Cu0J Cu01 Cu09 110.76(17) . . ?
Cu0I Cu01 Cu09 147.00(19) . . ?
Cu02 Cu01 Cu09 85.63(16) . . ?
Cu07 Cu01 Cu09 55.41(14) . . ?
Cu0O Cu01 Cu09 86.57(16) . . ?
Cu08 Cu01 Cu09 115.91(18) . . ?
Cu0N Cu01 Cu09 59.97(13) . . ?
Cu0L Cu01 Cu0K 86.21(17) . . ?
Cu06 Cu01 Cu0K 85.61(16) . . ?
Cu0B Cu01 Cu0K 146.10(19) . . ?
Cu0J Cu01 Cu0K 147.23(19) . . ?
Cu0I Cu01 Cu0K 109.97(17) . . ?
Cu02 Cu01 Cu0K 116.05(17) . . ?
Cu07 Cu01 Cu0K 116.53(18) . . ?
Cu0O Cu01 Cu0K 54.81(14) . . ?
Cu08 Cu01 Cu0K 54.79(14) . . ?
Cu0N Cu01 Cu0K 60.64(14) . . ?
Cu09 Cu01 Cu0K 61.15(14) . . ?
Cu0L Cu01 H51 47.31(11) . . ?
Cu06 Cu01 H51 140.7(2) . . ?
Cu0B Cu01 H51 91.29(16) . . ?
Cu0J Cu01 H51 47.53(12) . . ?
Cu0I Cu01 H51 46.82(12) . . ?
Cu02 Cu01 H51 140.6(2) . . ?
Cu07 Cu01 H51 93.00(16) . . ?
Cu0O Cu01 H51 47.09(12) . . ?
Cu08 Cu01 H51 92.46(16) . . ?
Cu0N Cu01 H51 157.8(2) . . ?
Cu09 Cu01 H51 101.40(17) . . ?
Cu0K Cu01 H51 100.82(17) . . ?
Cu0L Cu01 H57 92.89(16) . . ?
Cu06 Cu01 H57 92.53(17) . . ?
Cu0B Cu01 H57 47.24(12) . . ?
Cu0J Cu01 H57 46.85(12) . . ?
Cu0I Cu01 H57 91.40(17) . . ?
Cu02 Cu01 H57 46.69(11) . . ?
Cu07 Cu01 H57 46.80(12) . . ?
Cu0O Cu01 H57 141.06(19) . . ?
Cu08 Cu01 H57 140.3(2) . . ?
Cu0N Cu01 H57 101.04(16) . . ?
Cu09 Cu01 H57 101.07(17) . . ?
Cu0K Cu01 H57 158.6(2) . . ?
H51 Cu01 H57 94.10(16) . . ?
S27 Cu1A S2A 128.5(4) . . ?
S27 Cu1A Cl1 122.4(4) . . ?
S2A Cu1A Cl1 108.0(4) . . ?
S27 Cu1A Cu0I 55.9(2) . . ?
S2A Cu1A Cu0I 122.2(3) . . ?
Cl1 Cu1A Cu0I 105.5(3) . . ?
S27 Cu1A Cu0O 96.3(3) . . ?
S2A Cu1A Cu0O 56.0(2) . . ?
Cl1 Cu1A Cu0O 127.6(3) . . ?
Cu0I Cu1A Cu0O 66.21(16) . . ?
S27 Cu1A Cu16 168.3(3) . . ?
S2A Cu1A Cu16 49.3(3) . . ?
Cl1 Cu1A Cu16 58.8(3) . . ?
Cu0I Cu1A Cu16 135.8(2) . . ?
Cu0O Cu1A Cu16 90.53(18) . . ?
Cl Cu1B S23 135.8(5) . . ?
Cl Cu1B S2A 130.3(5) . . ?
S23 Cu1B S2A 85.4(3) . . ?
Cl Cu1B Cu0O 126.1(4) . . ?
S23 Cu1B Cu0O 94.6(3) . . ?
S2A Cu1B Cu0O 53.9(2) . . ?
Cl Cu1B Cu0L 129.9(4) . . ?
S23 Cu1B Cu0L 54.4(3) . . ?
S2A Cu1B Cu0L 94.3(3) . . ?
Cu0O Cu1B Cu0L 58.62(15) . . ?
Cl Cu1B Cu14 52.0(3) . . ?
S23 Cu1B Cu14 129.7(3) . . ?
S2A Cu1B Cu14 129.1(3) . . ?
Cu0O Cu1B Cu14 83.93(18) . . ?
Cu0L Cu1B Cu14 83.99(19) . . ?
Cl3 Cu1C S2J 125.0(4) . . ?
Cl3 Cu1C S2B 128.5(4) . . ?
S2J Cu1C S2B 92.7(4) . . ?
Cl3 Cu1C Cu0M 126.2(4) . . ?
S2J Cu1C Cu0M 56.4(3) . . ?
S2B Cu1C Cu0M 103.0(3) . . ?
Cl3 Cu1C Cu0H 129.8(3) . . ?
S2J Cu1C Cu0H 102.3(3) . . ?
S2B Cu1C Cu0H 55.5(3) . . ?
Cu0M Cu1C Cu0H 65.16(16) . . ?
Cl3 Cu1C Cu1E 48.9(3) . . ?
S2J Cu1C Cu1E 130.0(3) . . ?
S2B Cu1C Cu1E 131.5(3) . . ?
Cu0M Cu1C Cu1E 87.40(19) . . ?
Cu0H Cu1C Cu1E 89.34(19) . . ?
Cl4 Cu1D S2J 120.9(4) . . ?
Cl4 Cu1D S2M 133.6(4) . . ?
S2J Cu1D S2M 92.9(4) . . ?
Cl4 Cu1D Cu0M 122.3(4) . . ?
S2J Cu1D Cu0M 56.0(3) . . ?
S2M Cu1D Cu0M 102.4(3) . . ?
Cl4 Cu1D Cu0A 133.1(3) . . ?
S2J Cu1D Cu0A 101.3(3) . . ?
S2M Cu1D Cu0A 55.1(3) . . ?
Cu0M Cu1D Cu0A 64.28(16) . . ?
Cl4 Cu1D Cu1K 47.9(3) . . ?
S2J Cu1D Cu1K 131.1(3) . . ?
S2M Cu1D Cu1K 130.2(3) . . ?
Cu0M Cu1D Cu1K 88.7(2) . . ?
Cu0A Cu1D Cu1K 89.61(18) . . ?
Cl3 Cu1E S1Q 133.0(5) . . ?
Cl3 Cu1E S1V 131.5(4) . . ?
S1Q Cu1E S1V 87.3(3) . . ?
Cl3 Cu1E Cu05 127.5(4) . . ?
S1Q Cu1E Cu05 54.8(2) . . ?
S1V Cu1E Cu05 95.9(3) . . ?
Cl3 Cu1E Cu04 126.9(4) . . ?
S1Q Cu1E Cu04 96.0(3) . . ?
S1V Cu1E Cu04 53.5(3) . . ?
Cu05 Cu1E Cu04 59.94(15) . . ?
Cl3 Cu1E Cu1C 51.3(3) . . ?
S1Q Cu1E Cu1C 131.8(3) . . ?
S1V Cu1E Cu1C 126.0(3) . . ?
Cu05 Cu1E Cu1C 85.02(18) . . ?
Cu04 Cu1E Cu1C 82.72(18) . . ?
Cl02 Cu1F S24 146.7(4) . . ?
Cl02 Cu1F S1R 122.5(4) . . ?
S24 Cu1F S1R 86.4(3) . . ?
Cl02 Cu1F Cu02 130.3(4) . . ?
S24 Cu1F Cu02 54.3(2) . . ?
S1R Cu1F Cu02 93.5(3) . . ?
Cl02 Cu1F Cu07 116.8(4) . . ?
S24 Cu1F Cu07 93.2(3) . . ?
S1R Cu1F Cu07 53.1(2) . . ?
Cu02 Cu1F Cu07 56.80(14) . . ?
Cl02 Cu1F Cu18 49.0(3) . . ?
S24 Cu1F Cu18 128.9(3) . . ?
S1R Cu1F Cu18 126.5(3) . . ?
Cu02 Cu1F Cu18 82.74(18) . . ?
Cu07 Cu1F Cu18 82.58(18) . . ?
Cl5 Cu1G S2B 126.2(6) . . ?
Cl5 Cu1G S2M 132.5(6) . . ?
S2B Cu1G S2M 92.4(4) . . ?
Cl5 Cu1G Cu0H 123.5(5) . . ?
S2B Cu1G Cu0H 54.9(3) . . ?
S2M Cu1G Cu0H 100.3(3) . . ?
Cl5 Cu1G Cu0A 128.0(4) . . ?
S2B Cu1G Cu0A 100.2(3) . . ?
S2M Cu1G Cu0A 54.6(3) . . ?
Cu0H Cu1G Cu0A 63.07(16) . . ?
Cl5 Cu1G Cu1H 46.1(3) . . ?
S2B Cu1G Cu1H 130.5(3) . . ?
S2M Cu1G Cu1H 129.0(3) . . ?
Cu0H Cu1G Cu1H 88.0(2) . . ?
Cu0A Cu1G Cu1H 87.47(19) . . ?
Cl5 Cu1H S1O 137.0(6) . . ?
Cl5 Cu1H S25 131.5(6) . . ?
S1O Cu1H S25 86.3(3) . . ?
Cl5 Cu1H Cu0G 128.0(5) . . ?
S1O Cu1H Cu0G 54.5(3) . . ?
S25 Cu1H Cu0G 92.1(3) . . ?
Cl5 Cu1H Cu0E 123.3(5) . . ?
S1O Cu1H Cu0E 94.2(3) . . ?
S25 Cu1H Cu0E 53.4(3) . . ?
Cu0G Cu1H Cu0E 56.15(15) . . ?
Cl5 Cu1H Cu1G 50.1(4) . . ?
S1O Cu1H Cu1G 128.0(3) . . ?
S25 Cu1H Cu1G 127.3(3) . . ?
Cu0G Cu1H Cu1G 82.72(18) . . ?
Cu0E Cu1H Cu1G 82.11(19) . . ?
Cl2 Cu1I S1P 131.7(5) . . ?
Cl2 Cu1I S1W 136.2(5) . . ?
S1P Cu1I S1W 86.2(3) . . ?
Cl2 Cu1I Cu08 127.1(4) . . ?
S1P Cu1I Cu08 94.1(3) . . ?
S1W Cu1I Cu08 54.2(2) . . ?
Cl2 Cu1I Cu06 125.1(4) . . ?
S1P Cu1I Cu06 53.4(2) . . ?
S1W Cu1I Cu06 93.6(3) . . ?
Cu08 Cu1I Cu06 57.62(14) . . ?
Cl2 Cu1I Cu1J 50.4(3) . . ?
S1P Cu1I Cu1J 127.3(3) . . ?
S1W Cu1I Cu1J 128.9(3) . . ?
Cu08 Cu1I Cu1J 82.84(18) . . ?
Cu06 Cu1I Cu1J 82.88(18) . . ?
Cl2 Cu1J S2D 129.0(5) . . ?
Cl2 Cu1J S2K 125.6(5) . . ?
S2D Cu1J S2K 94.2(4) . . ?
Cl2 Cu1J Cu0K 128.3(4) . . ?
S2D Cu1J Cu0K 56.0(3) . . ?
S2K Cu1J Cu0K 101.7(3) . . ?
Cl2 Cu1J Cu0N 125.4(4) . . ?
S2D Cu1J Cu0N 102.7(3) . . ?
S2K Cu1J Cu0N 54.9(3) . . ?
Cu0K Cu1J Cu0N 64.19(16) . . ?
Cl2 Cu1J Cu1I 47.4(3) . . ?
S2D Cu1J Cu1I 130.2(3) . . ?
S2K Cu1J Cu1I 129.2(3) . . ?
Cu0K Cu1J Cu1I 88.16(19) . . ?
Cu0N Cu1J Cu1I 87.91(19) . . ?
Cl4 Cu1K S1S 142.4(4) . . ?
Cl4 Cu1K S26 125.9(4) . . ?
S1S Cu1K S26 86.8(3) . . ?
Cl4 Cu1K Cu0C 129.0(4) . . ?
S1S Cu1K Cu0C 53.8(2) . . ?
S26 Cu1K Cu0C 94.6(3) . . ?
Cl4 Cu1K Cu0D 120.7(3) . . ?
S1S Cu1K Cu0D 92.8(3) . . ?
S26 Cu1K Cu0D 53.1(2) . . ?
Cu0C Cu1K Cu0D 57.45(14) . . ?
Cl4 Cu1K Cu1D 50.3(3) . . ?
S1S Cu1K Cu1D 127.5(3) . . ?
S26 Cu1K Cu1D 127.2(3) . . ?
Cu0C Cu1K Cu1D 81.65(17) . . ?
Cu0D Cu1K Cu1D 82.94(18) . . ?
P02R Cu1L S2M 126.8(6) . . ?
P02R Cu1L S2B 126.0(6) . . ?
S2M Cu1L S2B 93.9(4) . . ?
P02R Cu1L S2J 122.9(6) . . ?
S2M Cu1L S2J 89.1(4) . . ?
S2B Cu1L S2J 86.4(4) . . ?
P02T Cu1M S1Z 132.4(7) . . ?
P02T Cu1M S2K 122.3(5) . . ?
S1Z Cu1M S2K 93.0(4) . . ?
P02T Cu1M S2D 119.3(6) . . ?
S1Z Cu1M S2D 88.8(4) . . ?
S2K Cu1M S2D 89.5(4) . . ?
C048 S1N Cu11 111.5(7) . . ?
C048 S1N Cu0R 109.3(7) . . ?
Cu11 S1N Cu0R 130.6(4) . . ?
C048 S1N Cu0Q 116.5(8) . . ?
Cu11 S1N Cu0Q 68.6(3) . . ?
Cu0R S1N Cu0Q 69.0(3) . . ?
C03T S1O Cu10 119.6(7) . . ?
C03T S1O Cu0R 111.4(7) . . ?
Cu10 S1O Cu0R 82.1(3) . . ?
C03T S1O Cu1H 125.7(7) . . ?
Cu10 S1O Cu1H 84.3(3) . . ?
Cu0R S1O Cu1H 120.3(4) . . ?
C03T S1O Cu0G 118.3(7) . . ?
Cu10 S1O Cu0G 121.0(4) . . ?
Cu0R S1O Cu0G 67.5(3) . . ?
Cu1H S1O Cu0G 71.1(3) . . ?
C0AC S1P Cu0V 110.3(9) . . ?
C0AC S1P Cu06 117.1(8) . . ?
Cu0V S1P Cu06 69.6(3) . . ?
C0AC S1P Cu0Z 120.8(8) . . ?
Cu0V S1P Cu0Z 81.0(3) . . ?
Cu06 S1P Cu0Z 121.0(4) . . ?
C0AC S1P Cu1I 122.7(9) . . ?
Cu0V S1P Cu1I 124.2(4) . . ?
Cu06 S1P Cu1I 71.8(3) . . ?
Cu0Z S1P Cu1I 86.0(4) . . ?
C27 S1Q Cu0X 117.0(10) . . ?
C27 S1Q Cu05 118.6(8) . . ?
Cu0X S1Q Cu05 67.9(3) . . ?
C27 S1Q Cu1E 115.7(10) . . ?
Cu0X S1Q Cu1E 123.1(4) . . ?
Cu05 S1Q Cu1E 69.5(3) . . ?
C27 S1Q Cu15 119.9(9) . . ?
Cu0X S1Q Cu15 85.1(3) . . ?
Cu05 S1Q Cu15 121.5(4) . . ?
Cu1E S1Q Cu15 86.6(3) . . ?
C03D S1R Cu0U 112.9(8) . . ?
C03D S1R Cu07 120.8(8) . . ?
Cu0U S1R Cu07 69.5(3) . . ?
C03D S1R Cu0S 118.7(8) . . ?
Cu0U S1R Cu0S 82.0(4) . . ?
Cu07 S1R Cu0S 120.1(4) . . ?
C03D S1R Cu1F 122.3(8) . . ?
Cu0U S1R Cu1F 122.9(4) . . ?
Cu07 S1R Cu1F 70.8(3) . . ?
Cu0S S1R Cu1F 84.1(3) . . ?
C045 S1S Cu11 111.4(13) . . ?
C045 S1S Cu19 121.3(11) . . ?
Cu11 S1S Cu19 84.2(3) . . ?
C045 S1S Cu0C 114.8(12) . . ?
Cu11 S1S Cu0C 69.1(3) . . ?
Cu19 S1S Cu0C 123.5(4) . . ?
C045 S1S Cu1K 120.4(12) . . ?
Cu11 S1S Cu1K 124.0(4) . . ?
Cu19 S1S Cu1K 86.3(4) . . ?
Cu0C S1S Cu1K 71.2(3) . . ?
C04Q S1U Cu0T 110.6(8) . . ?
C04Q S1U Cu0X 111.4(8) . . ?
Cu0T S1U Cu0X 129.3(4) . . ?
C04Q S1U Cu0F 113.9(8) . . ?
Cu0T S1U Cu0F 68.7(3) . . ?
Cu0X S1U Cu0F 69.2(3) . . ?
C15 S1V Cu04 113.3(9) . . ?
C15 S1V Cu0Y 115.0(9) . . ?
Cu04 S1V Cu0Y 70.4(3) . . ?
C15 S1V Cu15 124.7(8) . . ?
Cu04 S1V Cu15 121.8(4) . . ?
Cu0Y S1V Cu15 80.4(4) . . ?
C15 S1V Cu1E 119.3(9) . . ?
Cu04 S1V Cu1E 70.0(3) . . ?
Cu0Y S1V Cu1E 121.6(4) . . ?
Cu15 S1V Cu1E 85.8(4) . . ?
C06N S1W Cu17 114.8(8) . . ?
C06N S1W Cu0Z 121.9(8) . . ?
Cu17 S1W Cu0Z 84.2(3) . . ?
C06N S1W Cu08 116.5(8) . . ?
Cu17 S1W Cu08 68.3(3) . . ?
Cu0Z S1W Cu08 121.5(4) . . ?
C06N S1W Cu1I 117.1(8) . . ?
Cu17 S1W Cu1I 123.8(4) . . ?
Cu0Z S1W Cu1I 86.2(3) . . ?
Cu08 S1W Cu1I 70.5(3) . . ?
C033 S1X Cu0W 110.6(8) . . ?
C033 S1X Cu0V 109.7(8) . . ?
Cu0W S1X Cu0V 130.5(4) . . ?
C033 S1X Cu0B 111.5(8) . . ?
Cu0W S1X Cu0B 69.6(3) . . ?
Cu0V S1X Cu0B 69.8(3) . . ?
C03G S1Y Cu0Y 111.0(13) . . ?
C03G S1Y Cu0P 112.9(12) . . ?
Cu0Y S1Y Cu0P 70.4(3) . . ?
C03G S1Y Cu12 110.5(14) . . ?
Cu0Y S1Y Cu12 130.1(4) . . ?
Cu0P S1Y Cu12 68.7(3) . . ?
C09E S1Z Cu09 121.4(8) . . ?
C09E S1Z Cu14 115.2(9) . . ?
Cu09 S1Z Cu14 68.0(3) . . ?
C09E S1Z Cu1M 121.7(8) . . ?
Cu09 S1Z Cu1M 116.7(4) . . ?
Cu14 S1Z Cu1M 89.9(4) . . ?
C09E S1Z Cu18 115.4(9) . . ?
Cu09 S1Z Cu18 66.1(3) . . ?
Cu14 S1Z Cu18 123.9(4) . . ?
Cu1M S1Z Cu18 83.4(4) . . ?
C73 C2 C8 120.0(11) . . ?
C73 C2 H2 119.9 . . ?
C8 C2 H2 120.0 . . ?
F11 B2 F27 107.7(10) . . ?
F11 B2 F56 112.2(10) . . ?
F27 B2 F56 109.4(10) . . ?
F11 B2 F12 107.6(10) . . ?
F27 B2 F12 112.4(11) . . ?
F56 B2 F12 107.6(10) . . ?
Cu1I Cl2 Cu1J 82.1(4) . . ?
Cu1F Cl02 Cu18 82.9(4) . . ?
Cu11 Cl2C Cu0T 87.2(3) . . ?
Cu11 Cl2C Cu19 75.3(3) . . ?
Cu0T Cl2C Cu19 74.5(3) . . ?
S24 Cu02 Cu0N 137.6(3) . . ?
S24 Cu02 Cu07 97.4(3) . . ?
Cu0N Cu02 Cu07 91.65(17) . . ?
S24 Cu02 Cu06 141.0(3) . . ?
Cu0N Cu02 Cu06 57.89(14) . . ?
Cu07 Cu02 Cu06 119.92(18) . . ?
S24 Cu02 Cu01 152.6(3) . . ?
Cu0N Cu02 Cu01 64.22(15) . . ?
Cu07 Cu02 Cu01 60.57(14) . . ?
Cu06 Cu02 Cu01 59.59(14) . . ?
S24 Cu02 Cu0W 55.2(3) . . ?
Cu0N Cu02 Cu0W 164.0(2) . . ?
Cu07 Cu02 Cu0W 96.21(17) . . ?
Cu06 Cu02 Cu0W 106.13(18) . . ?
Cu01 Cu02 Cu0W 107.87(17) . . ?
S24 Cu02 Cu1F 54.4(3) . . ?
Cu0N Cu02 Cu1F 95.44(18) . . ?
Cu07 Cu02 Cu1F 62.44(15) . . ?
Cu06 Cu02 Cu1F 152.5(2) . . ?
Cu01 Cu02 Cu1F 117.91(19) . . ?
Cu0W Cu02 Cu1F 100.60(19) . . ?
S24 Cu02 Cu0B 111.1(3) . . ?
Cu0N Cu02 Cu0B 110.40(17) . . ?
Cu07 Cu02 Cu0B 89.36(15) . . ?
Cu06 Cu02 Cu0B 62.24(14) . . ?
Cu01 Cu02 Cu0B 56.75(13) . . ?
Cu0W Cu02 Cu0B 55.91(14) . . ?
Cu1F Cu02 Cu0B 142.55(18) . . ?
S24 Cu02 H47 88.0(3) . . ?
Cu0N Cu02 H47 122.80(19) . . ?
Cu07 Cu02 H47 119.40(18) . . ?
Cu06 Cu02 H47 64.94(14) . . ?
Cu01 Cu02 H47 89.46(16) . . ?
Cu0W Cu02 H47 41.33(12) . . ?
Cu1F Cu02 H47 140.7(2) . . ?
Cu0B Cu02 H47 35.23(10) . . ?
S24 Cu02 H57 108.9(3) . . ?
Cu0N Cu02 H57 107.63(18) . . ?
Cu07 Cu02 H57 47.51(11) . . ?
Cu06 Cu02 H57 90.59(15) . . ?
Cu01 Cu02 H57 44.56(11) . . ?
Cu0W Cu02 H57 68.64(14) . . ?
Cu1F Cu02 H57 105.39(17) . . ?
Cu0B Cu02 H57 41.90(10) . . ?
H47 Cu02 H57 73.58(13) . . ?
S24 Cu02 H58 114.2(3) . . ?
Cu0N Cu02 H58 44.70(13) . . ?
Cu07 Cu02 H58 136.3(2) . . ?
Cu06 Cu02 H58 44.96(12) . . ?
Cu01 Cu02 H58 93.24(18) . . ?
Cu0W Cu02 H58 126.2(2) . . ?
Cu1F Cu02 H58 112.2(2) . . ?
Cu0B Cu02 H58 105.23(18) . . ?
H47 Cu02 H58 92.22(17) . . ?
H57 Cu02 H58 134.0(2) . . ?
C043 P2F C03P 102.9(15) . . ?
C043 P2F C04N 104.9(15) . . ?
C03P P2F C04N 104.6(13) . . ?
C043 P2F Cu16 112.8(13) . . ?
C03P P2F Cu16 116.5(10) . . ?
C04N P2F Cu16 113.8(11) . . ?
C037 P2G C055 104.3(16) . . ?
C037 P2G C032 101.4(16) . . ?
C055 P2G C032 104.5(16) . . ?
C037 P2G Cu15 115.7(11) . . ?
C055 P2G Cu15 114.3(12) . . ?
C032 P2G Cu15 115.0(12) . . ?
C044 P2H C056 103.3(19) . . ?
C044 P2H C03Z 102.7(15) . . ?
C056 P2H C03Z 101.7(16) . . ?
C044 P2H Cu19 114.0(12) . . ?
C056 P2H Cu19 115.0(13) . . ?
C03Z P2H Cu19 118.2(10) . . ?
C04D P2L C04H 105.8(16) . . ?
C04D P2L C047 102.3(17) . . ?
C04H P2L C047 106.1(15) . . ?
C04D P2L Cu0S 116.8(14) . . ?
C04H P2L Cu0S 112.4(13) . . ?
C047 P2L Cu0S 112.4(11) . . ?
C31 P02O C08F 97(2) . . ?
C31 P02O C50 111(2) . . ?
C08F P02O C50 112(2) . . ?
C31 P02O Cu10 112.0(13) . . ?
C08F P02O Cu10 111.1(19) . . ?
C50 P02O Cu10 111.9(19) . . ?
C049 P02R C05K 97.8(19) . . ?
C049 P02R C73 102.1(16) . . ?
C05K P02R C73 110(2) . . ?
C049 P02R Cu1L 115.1(14) . . ?
C05K P02R Cu1L 114.2(15) . . ?
C73 P02R Cu1L 115.5(15) . . ?
C08P P02T C1 108(2) . . ?
C08P P02T C21 104(2) . . ?
C1 P02T C21 99(2) . . ?
C08P P02T Cu1M 115.6(16) . . ?
C1 P02T Cu1M 118.4(14) . . ?
C21 P02T Cu1M 109.6(18) . . ?
C046 S2A Cu1A 113.6(8) . . ?
C046 S2A Cu16 120.0(8) . . ?
Cu1A S2A Cu16 82.8(3) . . ?
C046 S2A Cu0O 119.1(8) . . ?
Cu1A S2A Cu0O 69.8(3) . . ?
Cu16 S2A Cu0O 120.7(4) . . ?
C046 S2A Cu1B 120.3(8) . . ?
Cu1A S2A Cu1B 122.9(4) . . ?
Cu16 S2A Cu1B 86.0(3) . . ?
Cu0O S2A Cu1B 68.9(3) . . ?
C06Z S2B Cu0H 120.6(9) . . ?
C06Z S2B Cu1C 115.0(9) . . ?
Cu0H S2B Cu1C 66.1(3) . . ?
C06Z S2B Cu1G 115.8(9) . . ?
Cu0H S2B Cu1G 66.6(3) . . ?
Cu1C S2B Cu1G 122.8(4) . . ?
C06Z S2B Cu1L 124.6(8) . . ?
Cu0H S2B Cu1L 114.7(4) . . ?
Cu1C S2B Cu1L 90.2(4) . . ?
Cu1G S2B Cu1L 81.9(4) . . ?
C03K S2D Cu0K 118.0(9) . . ?
C03K S2D Cu1J 121.4(10) . . ?
Cu0K S2D Cu1J 66.5(3) . . ?
C03K S2D Cu14 109.6(9) . . ?
Cu0K S2D Cu14 66.2(3) . . ?
Cu1J S2D Cu14 121.8(5) . . ?
C03K S2D Cu1M 129.5(9) . . ?
Cu0K S2D Cu1M 111.9(4) . . ?
Cu1J S2D Cu1M 85.0(4) . . ?
Cu14 S2D Cu1M 83.0(4) . . ?
C09W S2J Cu0M 117.4(8) . . ?
C09W S2J Cu1C 115.4(7) . . ?
Cu0M S2J Cu1C 65.8(3) . . ?
C09W S2J Cu1D 113.4(7) . . ?
Cu0M S2J Cu1D 66.4(3) . . ?
Cu1C S2J Cu1D 122.8(4) . . ?
C09W S2J Cu1L 128.9(8) . . ?
Cu0M S2J Cu1L 113.5(4) . . ?
Cu1C S2J Cu1L 87.6(4) . . ?
Cu1D S2J Cu1L 84.1(3) . . ?
C08O S2K Cu0N 121.0(9) . . ?
C08O S2K Cu18 111.7(9) . . ?
Cu0N S2K Cu18 67.6(3) . . ?
C08O S2K Cu1M 123.9(9) . . ?
Cu0N S2K Cu1M 115.0(4) . . ?
Cu18 S2K Cu1M 85.2(4) . . ?
C08O S2K Cu1J 118.2(9) . . ?
Cu0N S2K Cu1J 66.2(3) . . ?
Cu18 S2K Cu1J 124.1(4) . . ?
Cu1M S2K Cu1J 87.1(4) . . ?
C03E S2M Cu0A 118.9(9) . . ?
C03E S2M Cu1L 124.7(9) . . ?
Cu0A S2M Cu1L 116.3(4) . . ?
C03E S2M Cu1D 108.8(10) . . ?
Cu0A S2M Cu1D 66.8(3) . . ?
Cu1L S2M Cu1D 89.2(4) . . ?
C03E S2M Cu1G 121.3(10) . . ?
Cu0A S2M Cu1G 66.4(3) . . ?
Cu1L S2M Cu1G 83.8(4) . . ?
Cu1D S2M Cu1G 123.1(4) . . ?
C17 C31 C88 119.7(10) . . ?
C17 C31 P02O 113(2) . . ?
C88 C31 P02O 127(2) . . ?
C04S C03A C03S 119.5(11) . . ?
C04S C03A P29 118(2) . . ?
C03S C03A P29 122(2) . . ?
C030 C03B H03A 109.5 . . ?
C030 C03B H03B 109.5 . . ?
H03A C03B H03B 109.5 . . ?
C030 C03B H03C 109.5 . . ?
H03A C03B H03C 109.5 . . ?
H03B C03B H03C 109.5 . . ?
C25 C03D C0A0 107.5(17) . . ?
C25 C03D C07O 107.5(17) . . ?
C0A0 C03D C07O 107.7(17) . . ?
C25 C03D S1R 109(2) . . ?
C0A0 C03D S1R 115(2) . . ?
C07O C03D S1R 109(2) . . ?
C07Y C03E C04J 106(2) . . ?
C07Y C03E C0A9 104(2) . . ?
C04J C03E C0A9 104(2) . . ?
C07Y C03E S2M 111(2) . . ?
C04J C03E S2M 110(2) . . ?
C0A9 C03E S2M 121(3) . . ?
C04O C03F C05C 119.9(10) . . ?
C04O C03F H03F 120.0 . . ?
C05C C03F H03F 120.0 . . ?
C03X C03G C03R 115(3) . . ?
C03X C03G C04F 106(3) . . ?
C03R C03G C04F 97(3) . . ?
C03X C03G S1Y 115(3) . . ?
C03R C03G S1Y 109(3) . . ?
C04F C03G S1Y 115(2) . . ?
C03O C03H C04C 120.1(11) . . ?
C03O C03H H03H 119.9 . . ?
C04C C03H H03H 119.9 . . ?
C05T C03I C06L 108(2) . . ?
C05T C03I C07G 107(2) . . ?
C06L C03I C07G 106.5(19) . . ?
C05T C03I S24 112(2) . . ?
C06L C03I S24 108(2) . . ?
C07G C03I S24 115(2) . . ?
C064 C03J C05H 119.6(10) . . ?
C064 C03J P29 119.9(17) . . ?
C05H C03J P29 120.5(17) . . ?
C07Q C03K C06T 105(2) . . ?
C07Q C03K C04V 106(2) . . ?
C06T C03K C04V 104(2) . . ?
C07Q C03K S2D 108(2) . . ?
C06T C03K S2D 116(2) . . ?
C04V C03K S2D 116(3) . . ?
C033 C03L H03D 109.5 . . ?
C033 C03L H03E 109.5 . . ?
H03D C03L H03E 109.5 . . ?
C033 C03L H03G 109.5 . . ?
H03D C03L H03G 109.5 . . ?
H03E C03L H03G 109.5 . . ?
C085 C03M C0AI 120(3) . . ?
C085 C03M C082 109(3) . . ?
C0AI C03M C082 115(3) . . ?
C085 C03M S23 104(2) . . ?
C0AI C03M S23 106(2) . . ?
C082 C03M S23 101(2) . . ?
C06M C03N H03V 109.5 . . ?
C06M C03N H03X 109.5 . . ?
H03V C03N H03X 109.5 . . ?
C06M C03N H03Y 109.5 . . ?
H03V C03N H03Y 109.5 . . ?
H03X C03N H03Y 109.5 . . ?
C03H C03O C054 119.6(11) . . ?
C03H C03O P29 124(2) . . ?
C054 C03O P29 116(2) . . ?
C05V C03P C04I 119.0(10) . . ?
C05V C03P P2F 124.7(18) . . ?
C04I C03P P2F 116.2(17) . . ?
C030 C03Q H03I 109.5 . . ?
C030 C03Q H03J 109.5 . . ?
H03I C03Q H03J 109.5 . . ?
C030 C03Q H03K 109.5 . . ?
H03I C03Q H03K 109.5 . . ?
H03J C03Q H03K 109.5 . . ?
C03G C03R H03Z 109.5 . . ?
C03G C03R H 109.5 . . ?
H03Z C03R H 109.5 . . ?
C03G C03R HA 109.5 . . ?
H03Z C03R HA 109.5 . . ?
H C03R HA 109.5 . . ?
C06D C03S C03A 120.6(11) . . ?
C06D C03S H03S 119.7 . . ?
C03A C03S H03S 119.7 . . ?
C4 C03T C0AD 112.5(18) . . ?
C4 C03T C07K 110.7(18) . . ?
C0AD C03T C07K 109.6(17) . . ?
C4 C03T S1O 107.7(17) . . ?
C0AD C03T S1O 108.0(17) . . ?
C07K C03T S1O 108.3(17) . . ?
C048 C03U H03 109.5 . . ?
C048 C03U HB 109.5 . . ?
H03 C03U HB 109.5 . . ?
C048 C03U HC 109.5 . . ?
H03 C03U HC 109.5 . . ?
HB C03U HC 109.5 . . ?
C045 C03V H1 109.5 . . ?
C045 C03V HD 109.5 . . ?
H1 C03V HD 109.5 . . ?
C045 C03V HE 109.5 . . ?
H1 C03V HE 109.5 . . ?
HD C03V HE 109.5 . . ?
C05W C03W C043 120.1(11) . . ?
C05W C03W H03W 120.0 . . ?
C043 C03W H03W 120.0 . . ?
C03G C03X H3 109.5 . . ?
C03G C03X HF 109.5 . . ?
H3 C03X HF 109.5 . . ?
C03G C03X HG 109.5 . . ?
H3 C03X HG 109.5 . . ?
HF C03X HG 109.5 . . ?
C05Z C03Y C057 120.7(10) . . ?
C05Z C03Y H4 119.7 . . ?
C057 C03Y H4 119.7 . . ?
C05R C03Z C034 123(3) . . ?
C05R C03Z P2H 116(2) . . ?
C034 C03Z P2H 121(2) . . ?
Cu1E Cl3 Cu1C 79.8(4) . . ?
Cu0E Cu03 Cu0C 119.79(19) . . ?
Cu0E Cu03 Cu0P 65.60(15) . . ?
Cu0C Cu03 Cu0P 124.23(17) . . ?
Cu0E Cu03 Cu0Q 92.26(17) . . ?
Cu0C Cu03 Cu0Q 67.43(14) . . ?
Cu0P Cu03 Cu0Q 56.80(14) . . ?
Cu0E Cu03 Cu0F 122.83(18) . . ?
Cu0C Cu03 Cu0F 92.88(16) . . ?
Cu0P Cu03 Cu0F 57.24(14) . . ?
Cu0Q Cu03 Cu0F 56.51(14) . . ?
Cu0E Cu03 Cu05 119.60(17) . . ?
Cu0C Cu03 Cu05 118.85(17) . . ?
Cu0P Cu03 Cu05 92.55(18) . . ?
Cu0Q Cu03 Cu05 122.7(2) . . ?
Cu0F Cu03 Cu05 66.17(15) . . ?
Cu0E Cu03 Cu04 58.99(14) . . ?
Cu0C Cu03 Cu04 168.8(2) . . ?
Cu0P Cu03 Cu04 66.34(14) . . ?
Cu0Q Cu03 Cu04 122.99(18) . . ?
Cu0F Cu03 Cu04 96.66(17) . . ?
Cu05 Cu03 Cu04 60.65(14) . . ?
Cu0E Cu03 Cu0D 172.2(2) . . ?
Cu0C Cu03 Cu0D 59.56(14) . . ?
Cu0P Cu03 Cu0D 121.67(19) . . ?
Cu0Q Cu03 Cu0D 94.33(16) . . ?
Cu0F Cu03 Cu0D 64.54(15) . . ?
Cu05 Cu03 Cu0D 59.59(14) . . ?
Cu04 Cu03 Cu0D 119.91(18) . . ?
Cu0E Cu03 Cu0G 60.14(14) . . ?
Cu0C Cu03 Cu0G 59.86(14) . . ?
Cu0P Cu03 Cu0G 94.87(17) . . ?
Cu0Q Cu03 Cu0G 65.47(15) . . ?
Cu0F Cu03 Cu0G 121.85(18) . . ?
Cu05 Cu03 Cu0G 171.3(2) . . ?
Cu04 Cu03 Cu0G 118.71(17) . . ?
Cu0D Cu03 Cu0G 119.32(17) . . ?
Cu0E Cu03 Cu0M 116.74(18) . . ?
Cu0C Cu03 Cu0M 85.53(15) . . ?
Cu0P Cu03 Cu0M 146.0(2) . . ?
Cu0Q Cu03 Cu0M 148.00(18) . . ?
Cu0F Cu03 Cu0M 110.90(18) . . ?
Cu05 Cu03 Cu0M 55.69(14) . . ?
Cu04 Cu03 Cu0M 85.63(15) . . ?
Cu0D Cu03 Cu0M 55.90(13) . . ?
Cu0G Cu03 Cu0M 116.03(18) . . ?
Cu0E Cu03 Cu0A 86.15(17) . . ?
Cu0C Cu03 Cu0A 55.23(14) . . ?
Cu0P Cu03 Cu0A 147.1(2) . . ?
Cu0Q Cu03 Cu0A 111.07(17) . . ?
Cu0F Cu03 Cu0A 146.40(18) . . ?
Cu05 Cu03 Cu0A 116.94(17) . . ?
Cu04 Cu03 Cu0A 114.18(17) . . ?
Cu0D Cu03 Cu0A 87.66(16) . . ?
Cu0G Cu03 Cu0A 54.76(14) . . ?
Cu0M Cu03 Cu0A 61.28(14) . . ?
Cu0E Cu03 Cu0H 55.52(14) . . ?
Cu0C Cu03 Cu0H 115.01(18) . . ?
Cu0P Cu03 Cu0H 110.81(16) . . ?
Cu0Q Cu03 Cu0H 145.4(2) . . ?
Cu0F Cu03 Cu0H 148.99(19) . . ?
Cu05 Cu03 Cu0H 87.60(16) . . ?
Cu04 Cu03 Cu0H 54.37(13) . . ?
Cu0D Cu03 Cu0H 117.09(17) . . ?
Cu0G Cu03 Cu0H 85.61(16) . . ?
Cu0M Cu03 Cu0H 61.23(14) . . ?
Cu0A Cu03 Cu0H 59.83(14) . . ?
Cu0E Cu03 H37 84.95(15) . . ?
Cu0C Cu03 H37 147.2(2) . . ?
Cu0P Cu03 H37 43.27(12) . . ?
Cu0Q Cu03 H37 92.21(16) . . ?
Cu0F Cu03 H37 54.40(13) . . ?
Cu05 Cu03 H37 50.33(12) . . ?
Cu04 Cu03 H37 42.39(11) . . ?
Cu0D Cu03 H37 98.87(17) . . ?
Cu0G Cu03 H37 135.91(18) . . ?
Cu0M Cu03 H37 102.97(17) . . ?
Cu0A Cu03 H37 155.37(18) . . ?
Cu0H Cu03 H37 96.46(15) . . ?
Cu0E Cu03 H46 128.4(2) . . ?
Cu0C Cu03 H46 43.68(11) . . ?
Cu0P Cu03 H46 163.4(2) . . ?
Cu0Q Cu03 H46 109.79(17) . . ?
Cu0F Cu03 H46 108.01(17) . . ?
Cu05 Cu03 H46 87.27(16) . . ?
Cu04 Cu03 H46 126.88(18) . . ?
Cu0D Cu03 H46 45.09(12) . . ?
Cu0G Cu03 H46 86.89(16) . . ?
Cu0M Cu03 H46 41.91(11) . . ?
Cu0A Cu03 H46 42.65(12) . . ?
Cu0H Cu03 H46 85.82(15) . . ?
H37 Cu03 H46 137.2(2) . . ?
C03T C4 H4A 109.5 . . ?
C03T C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C03T C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C044 C04A C05I 125(4) . . ?
C044 C04A H04J 117.5 . . ?
C05I C04A H04J 117.5 . . ?
C03H C04C C05D 120.0(11) . . ?
C03H C04C H04C 120.0 . . ?
C05D C04C H04C 120.0 . . ?
C04W C04D C06G 120.2(11) . . ?
C04W C04D P2L 115(3) . . ?
C06G C04D P2L 124(3) . . ?
C04X C04E C031 119.5(10) . . ?
C04X C04E H04K 120.3 . . ?
C031 C04E H04K 120.3 . . ?
C03G C04F H04M 109.5 . . ?
C03G C04F H04N 109.5 . . ?
H04M C04F H04N 109.5 . . ?
C03G C04F H04P 109.5 . . ?
H04M C04F H04P 109.5 . . ?
H04N C04F H04P 109.5 . . ?
C08K C04G C067 119.9(10) . . ?
C08K C04G H04G 120.0 . . ?
C067 C04G H04G 120.0 . . ?
C08T C04H C098 119.8(10) . . ?
C08T C04H P2L 121(2) . . ?
C098 C04H P2L 119(2) . . ?
C069 C04I C03P 120.4(10) . . ?
C069 C04I H04I 119.8 . . ?
C03P C04I H04I 119.8 . . ?
C03E C04J H04Q 109.5 . . ?
C03E C04J H04T 109.5 . . ?
H04Q C04J H04T 109.5 . . ?
C03E C04J H04U 109.5 . . ?
H04Q C04J H04U 109.5 . . ?
H04T C04J H04U 109.5 . . ?
C066 C04L C043 119.5(11) . . ?
C066 C04L H04L 120.2 . . ?
C043 C04L H04L 120.2 . . ?
C06F C04N C05A 119.6(10) . . ?
C06F C04N P2F 117.1(19) . . ?
C05A C04N P2F 123(2) . . ?
C05H C04O C03F 120.4(10) . . ?
C05H C04O H04O 119.8 . . ?
C03F C04O H04O 119.8 . . ?
C076 C04P C089 112.6(16) . . ?
C076 C04P C07F 112.9(16) . . ?
C089 C04P C07F 112.0(16) . . ?
C076 C04P S27 102(2) . . ?
C089 C04P S27 112(2) . . ?
C07F C04P S27 104(2) . . ?
C05G C04Q C068 110.6(18) . . ?
C05G C04Q C05Q 109.5(17) . . ?
C068 C04Q C05Q 110.1(18) . . ?
C05G C04Q S1U 110(2) . . ?
C068 C04Q S1U 109(2) . . ?
C05Q C04Q S1U 108(2) . . ?
C5 C04R C047 120.3(10) . . ?
C5 C04R H04R 119.8 . . ?
C047 C04R H04R 119.8 . . ?
C03A C04S C06V 120.0(11) . . ?
C03A C04S H04S 120.0 . . ?
C06V C04S H04S 120.0 . . ?
C048 C04U H04V 109.5 . . ?
C048 C04U H04X 109.5 . . ?
H04V C04U H04X 109.5 . . ?
C048 C04U H04Y 109.5 . . ?
H04V C04U H04Y 109.5 . . ?
H04X C04U H04Y 109.5 . . ?
C03K C04V H04A 109.5 . . ?
C03K C04V H04B 109.5 . . ?
H04A C04V H04B 109.5 . . ?
C03K C04V H04D 109.5 . . ?
H04A C04V H04D 109.5 . . ?
H04B C04V H04D 109.5 . . ?
C04D C04W C08E 120.4(11) . . ?
C04D C04W H04W 119.8 . . ?
C08E C04W H04W 119.8 . . ?
C04E C04X C086 120.6(10) . . ?
C04E C04X H04Z 119.7 . . ?
C086 C04X H04Z 119.7 . . ?
C05U C04Y C057 119.5(10) . . ?
C05U C04Y H04 120.2 . . ?
C057 C04Y H04 120.2 . . ?
C15 C04Z H7 109.5 . . ?
C15 C04Z HH 109.5 . . ?
H7 C04Z HH 109.5 . . ?
C15 C04Z HI 109.5 . . ?
H7 C04Z HI 109.5 . . ?
HH C04Z HI 109.5 . . ?
Cu1K Cl4 Cu1D 81.8(4) . . ?
S1V Cu04 Cu0H 136.8(3) . . ?
S1V Cu04 Cu0E 141.1(3) . . ?
Cu0H Cu04 Cu0E 59.18(15) . . ?
S1V Cu04 Cu03 152.4(3) . . ?
Cu0H Cu04 Cu03 65.32(15) . . ?
Cu0E Cu04 Cu03 59.06(14) . . ?
S1V Cu04 Cu0Y 54.8(3) . . ?
Cu0H Cu04 Cu0Y 164.3(2) . . ?
Cu0E Cu04 Cu0Y 105.08(18) . . ?
Cu03 Cu04 Cu0Y 108.11(17) . . ?
S1V Cu04 Cu05 97.7(3) . . ?
Cu0H Cu04 Cu05 93.35(17) . . ?
Cu0E Cu04 Cu05 118.64(18) . . ?
Cu03 Cu04 Cu05 59.62(14) . . ?
Cu0Y Cu04 Cu05 95.14(18) . . ?
S1V Cu04 Cu1E 56.5(3) . . ?
Cu0H Cu04 Cu1E 95.70(19) . . ?
Cu0E Cu04 Cu1E 154.8(2) . . ?
Cu03 Cu04 Cu1E 114.09(19) . . ?
Cu0Y Cu04 Cu1E 100.03(19) . . ?
Cu05 Cu04 Cu1E 59.53(15) . . ?
S1V Cu04 Cu0P 110.5(3) . . ?
Cu0H Cu04 Cu0P 111.77(18) . . ?
Cu0E Cu04 Cu0P 61.89(15) . . ?
Cu03 Cu04 Cu0P 56.64(13) . . ?
Cu0Y Cu04 Cu0P 55.70(14) . . ?
Cu05 Cu04 Cu0P 86.54(15) . . ?
Cu1E Cu04 Cu0P 137.8(2) . . ?
S1V Cu04 H37 106.2(3) . . ?
Cu0H Cu04 H37 112.80(19) . . ?
Cu0E Cu04 H37 88.69(16) . . ?
Cu03 Cu04 H37 47.88(12) . . ?
Cu0Y Cu04 H37 63.96(15) . . ?
Cu05 Cu04 H37 50.20(12) . . ?
Cu1E Cu04 H37 103.77(19) . . ?
Cu0P Cu04 H37 36.69(11) . . ?
S1V Cu04 H48 115.6(3) . . ?
Cu0H Cu04 H48 45.42(13) . . ?
Cu0E Cu04 H48 43.16(12) . . ?
Cu03 Cu04 H48 91.84(17) . . ?
Cu0Y Cu04 H48 123.8(2) . . ?
Cu05 Cu04 H48 138.5(2) . . ?
Cu1E Cu04 H48 119.0(2) . . ?
Cu0P Cu04 H48 102.91(18) . . ?
H37 Cu04 H48 131.5(2) . . ?
S1V Cu04 H62 107.1(3) . . ?
Cu0H Cu04 H62 102.34(19) . . ?
Cu0E Cu04 H62 43.18(12) . . ?
Cu03 Cu04 H62 76.42(14) . . ?
Cu0Y Cu04 H62 61.92(15) . . ?
Cu05 Cu04 H62 121.09(18) . . ?
Cu1E Cu04 H62 161.8(2) . . ?
Cu0P Cu04 H62 34.88(10) . . ?
H37 Cu04 H62 71.57(13) . . ?
H48 Cu04 H62 73.59(15) . . ?
C11 C5 C04R 119.7(10) . . ?
C11 C5 H5 120.2 . . ?
C04R C5 H5 120.2 . . ?
C05D C05B C054 120.2(11) . . ?
C05D C05B H05B 119.9 . . ?
C054 C05B H05B 119.9 . . ?
C064 C05C C03F 119.6(10) . . ?
C064 C05C H05C 120.2 . . ?
C03F C05C H05C 120.2 . . ?
C05B C05D C04C 119.7(11) . . ?
C05B C05D H05D 120.1 . . ?
C04C C05D H05D 120.1 . . ?
C044 C05E C06W 124(4) . . ?
C044 C05E H05L 118.2 . . ?
C06W C05E H05L 118.2 . . ?
C04B C05F C05R 120(3) . . ?
C04B C05F H05M 120.1 . . ?
C05R C05F H05M 120.1 . . ?
C05F C04B C02Z 124(4) . . ?
C05F C04B H8 118.1 . . ?
C02Z C04B H8 118.1 . . ?
C04B C02Z C034 116(3) . . ?
C04B C02Z H02Z 122.2 . . ?
C034 C02Z H02Z 122.2 . . ?
C04Q C05G H05N 109.5 . . ?
C04Q C05G H05O 109.5 . . ?
H05N C05G H05O 109.5 . . ?
C04Q C05G H05P 109.5 . . ?
H05N C05G H05P 109.5 . . ?
H05O C05G H05P 109.5 . . ?
C04O C05H C03J 119.7(10) . . ?
C04O C05H H05H 120.2 . . ?
C03J C05H H05H 120.2 . . ?
C05N C05I C04A 120(4) . . ?
C05N C05I H05Q 120.2 . . ?
C04A C05I H05Q 120.2 . . ?
C41 C05K C43 118.4(10) . . ?
C41 C05K P02R 125(3) . . ?
C43 C05K P02R 116(3) . . ?
C06W C05N C05I 117(4) . . ?
C06W C05N H05R 121.3 . . ?
C05I C05N H05R 121.3 . . ?
C07U C05O C08Y 125(4) . . ?
C07U C05O H05S 117.6 . . ?
C08Y C05O H05S 117.6 . . ?
C063 C05P C07N 120.5(11) . . ?
C063 C05P H05T 119.7 . . ?
C07N C05P H05T 119.7 . . ?
C04Q C05Q H05U 109.5 . . ?
C04Q C05Q H05X 109.5 . . ?
H05U C05Q H05X 109.5 . . ?
C04Q C05Q H05Y 109.5 . . ?
H05U C05Q H05Y 109.5 . . ?
H05X C05Q H05Y 109.5 . . ?
C03Z C05R C05F 117(3) . . ?
C03Z C05R H05Z 121.6 . . ?
C05F C05R H05Z 121.6 . . ?
C03I C05T H05A 109.5 . . ?
C03I C05T H05E 109.5 . . ?
H05A C05T H05E 109.5 . . ?
C03I C05T H05F 109.5 . . ?
H05A C05T H05F 109.5 . . ?
H05E C05T H05F 109.5 . . ?
C055 C05U C04Y 120.5(10) . . ?
C055 C05U H05 119.7 . . ?
C04Y C05U H05 119.7 . . ?
C058 C05V C03P 120.5(10) . . ?
C058 C05V H05V 119.7 . . ?
C03P C05V H05V 119.7 . . ?
C03W C05W C080 119.7(10) . . ?
C03W C05W H05W 120.2 . . ?
C080 C05W H05W 120.2 . . ?
C046 C05Y H05G 109.5 . . ?
C046 C05Y H05I 109.5 . . ?
H05G C05Y H05I 109.5 . . ?
C046 C05Y H05J 109.5 . . ?
H05G C05Y H05J 109.5 . . ?
H05I C05Y H05J 109.5 . . ?
C03Y C05Z C055 119.5(10) . . ?
C03Y C05Z H9 120.3 . . ?
C055 C05Z H9 120.3 . . ?
Cu1H Cl5 Cu1G 83.8(5) . . ?
S1Q Cu05 Cu0M 137.5(3) . . ?
S1Q Cu05 Cu0X 56.1(2) . . ?
Cu0M Cu05 Cu0X 163.9(2) . . ?
S1Q Cu05 Cu0D 141.9(3) . . ?
Cu0M Cu05 Cu0D 58.55(15) . . ?
Cu0X Cu05 Cu0D 105.54(18) . . ?
S1Q Cu05 Cu03 151.8(3) . . ?
Cu0M Cu05 Cu03 63.47(15) . . ?
Cu0X Cu05 Cu03 107.97(18) . . ?
Cu0D Cu05 Cu03 60.27(14) . . ?
S1Q Cu05 Cu1E 55.7(2) . . ?
Cu0M Cu05 Cu1E 93.28(19) . . ?
Cu0X Cu05 Cu1E 102.78(19) . . ?
Cu0D Cu05 Cu1E 151.2(2) . . ?
Cu03 Cu05 Cu1E 115.1(2) . . ?
S1Q Cu05 Cu04 97.1(3) . . ?
Cu0M Cu05 Cu04 89.40(18) . . ?
Cu0X Cu05 Cu04 97.78(18) . . ?
Cu0D Cu05 Cu04 119.67(19) . . ?
Cu03 Cu05 Cu04 59.73(14) . . ?
Cu1E Cu05 Cu04 60.54(15) . . ?
S1Q Cu05 Cu0F 112.3(3) . . ?
Cu0M Cu05 Cu0F 109.59(18) . . ?
Cu0X Cu05 Cu0F 56.25(14) . . ?
Cu0D Cu05 Cu0F 61.39(14) . . ?
Cu03 Cu05 Cu0F 56.86(14) . . ?
Cu1E Cu05 Cu0F 143.30(19) . . ?
Cu04 Cu05 Cu0F 90.53(15) . . ?
S1Q Cu05 H37 104.9(3) . . ?
Cu0M Cu05 H37 107.61(19) . . ?
Cu0X Cu05 H37 69.95(15) . . ?
Cu0D Cu05 H37 97.10(16) . . ?
Cu03 Cu05 H37 47.38(11) . . ?
Cu1E Cu05 H37 97.34(17) . . ?
Cu04 Cu05 H37 41.88(11) . . ?
Cu0F Cu05 H37 49.16(11) . . ?
S1Q Cu05 H54 116.8(3) . . ?
Cu0M Cu05 H54 50.69(13) . . ?
Cu0X Cu05 H54 119.1(2) . . ?
Cu0D Cu05 H54 37.99(10) . . ?
Cu03 Cu05 H54 91.15(16) . . ?
Cu1E Cu05 H54 120.45(19) . . ?
Cu04 Cu05 H54 139.4(2) . . ?
Cu0F Cu05 H54 96.14(16) . . ?
H37 Cu05 H54 134.5(2) . . ?
C0AC C06B H06A 109.5 . . ?
C0AC C06B H06B 109.5 . . ?
H06A C06B H06B 109.5 . . ?
C0AC C06B H06C 109.5 . . ?
H06A C06B H06C 109.5 . . ?
H06B C06B H06C 109.5 . . ?
C03S C06D C06U 120.1(11) . . ?
C03S C06D H06D 119.9 . . ?
C06U C06D H06D 119.9 . . ?
C27 C06E H06Q 109.5 . . ?
C27 C06E H06S 109.5 . . ?
H06Q C06E H06S 109.5 . . ?
C27 C06E H06T 109.5 . . ?
H06Q C06E H06T 109.5 . . ?
H06S C06E H06T 109.5 . . ?
C04N C06F C08M 120.2(10) . . ?
C04N C06F H06F 119.9 . . ?
C08M C06F H06F 119.9 . . ?
C04D C06G C062 119.4(11) . . ?
C04D C06G H06G 120.3 . . ?
C062 C06G H06G 120.3 . . ?
C27 C06H H06W 109.5 . . ?
C27 C06H H06X 109.5 . . ?
H06W C06H H06X 109.5 . . ?
C27 C06H H06Y 109.5 . . ?
H06W C06H H06Y 109.5 . . ?
H06X C06H H06Y 109.5 . . ?
C032 C06J C06X 120.2(11) . . ?
C032 C06J H06Z 119.9 . . ?
C06X C06J H06Z 119.9 . . ?
C03I C06L H06E 109.5 . . ?
C03I C06L H06H 109.5 . . ?
H06E C06L H06H 109.5 . . ?
C03I C06L H06I 109.5 . . ?
H06E C06L H06I 109.5 . . ?
H06H C06L H06I 109.5 . . ?
C03N C06M C090 110.0(16) . . ?
C03N C06M C072 109.0(16) . . ?
C090 C06M C072 109.7(16) . . ?
C03N C06M S25 109.9(19) . . ?
C090 C06M S25 110.3(19) . . ?
C072 C06M S25 108.0(19) . . ?
C0AH C06N C08L 110.3(18) . . ?
C0AH C06N C088 109.7(19) . . ?
C08L C06N C088 108.9(18) . . ?
C0AH C06N S1W 111(2) . . ?
C08L C06N S1W 111(2) . . ?
C088 C06N S1W 106(2) . . ?
C069 C06P C058 119.5(10) . . ?
C069 C06P H06P 120.3 . . ?
C058 C06P H06P 120.3 . . ?
C067 C06R C053 120.1(10) . . ?
C067 C06R H06R 120.0 . . ?
C053 C06R H06R 120.0 . . ?
C08O C06S H06J 109.5 . . ?
C08O C06S H06K 109.5 . . ?
H06J C06S H06K 109.5 . . ?
C08O C06S H06L 109.5 . . ?
H06J C06S H06L 109.5 . . ?
H06K C06S H06L 109.5 . . ?
C03K C06T H06M 109.5 . . ?
C03K C06T H06N 109.5 . . ?
H06M C06T H06N 109.5 . . ?
C03K C06T H06O 109.5 . . ?
H06M C06T H06O 109.5 . . ?
H06N C06T H06O 109.5 . . ?
C06V C06U C06D 119.6(11) . . ?
C06V C06U H06U 120.2 . . ?
C06D C06U H06U 120.2 . . ?
C06U C06V C04S 120.2(11) . . ?
C06U C06V H06V 119.9 . . ?
C04S C06V H06V 119.9 . . ?
C05N C06W C05E 121(4) . . ?
C05N C06W H06 119.6 . . ?
C05E C06W H06 119.6 . . ?
C08U C06Z C09N 112.5(17) . . ?
C08U C06Z C099 112.1(17) . . ?
C09N C06Z C099 110.9(16) . . ?
C08U C06Z S2B 109(2) . . ?
C09N C06Z S2B 110(2) . . ?
C099 C06Z S2B 101(2) . . ?
S1P Cu06 Cu0N 135.8(3) . . ?
S1P Cu06 Cu01 153.9(3) . . ?
Cu0N Cu06 Cu01 64.70(15) . . ?
S1P Cu06 Cu08 97.6(3) . . ?
Cu0N Cu06 Cu08 92.39(18) . . ?
Cu01 Cu06 Cu08 61.10(14) . . ?
S1P Cu06 Cu02 139.8(3) . . ?
Cu0N Cu06 Cu02 58.40(15) . . ?
Cu01 Cu06 Cu02 60.34(14) . . ?
Cu08 Cu06 Cu02 121.23(18) . . ?
S1P Cu06 Cu0V 55.1(3) . . ?
Cu0N Cu06 Cu0V 164.6(2) . . ?
Cu01 Cu06 Cu0V 109.29(18) . . ?
Cu08 Cu06 Cu0V 96.70(17) . . ?
Cu02 Cu06 Cu0V 106.24(19) . . ?
S1P Cu06 Cu1I 54.8(3) . . ?
Cu0N Cu06 Cu1I 95.12(19) . . ?
Cu01 Cu06 Cu1I 116.8(2) . . ?
Cu08 Cu06 Cu1I 60.91(16) . . ?
Cu02 Cu06 Cu1I 152.8(2) . . ?
Cu0V Cu06 Cu1I 100.11(18) . . ?
S1P Cu06 Cu0B 111.6(3) . . ?
Cu0N Cu06 Cu0B 111.46(17) . . ?
Cu01 Cu06 Cu0B 57.20(13) . . ?
Cu08 Cu06 Cu0B 89.36(15) . . ?
Cu02 Cu06 Cu0B 63.00(14) . . ?
Cu0V Cu06 Cu0B 56.50(14) . . ?
Cu1I Cu06 Cu0B 141.27(18) . . ?
S1P Cu06 H58 118.6(3) . . ?
Cu0N Cu06 H58 45.23(12) . . ?
Cu01 Cu06 H58 87.22(15) . . ?
Cu08 Cu06 H58 136.6(2) . . ?
Cu02 Cu06 H58 36.32(10) . . ?
Cu0V Cu06 H58 122.8(2) . . ?
Cu1I Cu06 H58 120.85(19) . . ?
Cu0B Cu06 H58 97.71(16) . . ?
C73 C7 C07M 119.4(12) . . ?
C73 C7 H7A 120.4 . . ?
C07M C7 H7A 120.3 . . ?
C09E C07D H07A 109.5 . . ?
C09E C07D H07B 109.5 . . ?
H07A C07D H07B 109.5 . . ?
C09E C07D H07C 109.5 . . ?
H07A C07D H07C 109.5 . . ?
H07B C07D H07C 109.5 . . ?
C04P C07F H07D 109.5 . . ?
C04P C07F H07E 109.5 . . ?
H07D C07F H07E 109.5 . . ?
C04P C07F H07F 109.5 . . ?
H07D C07F H07F 109.5 . . ?
H07E C07F H07F 109.5 . . ?
C03I C07G H07G 109.5 . . ?
C03I C07G H07H 109.5 . . ?
H07G C07G H07H 109.5 . . ?
C03I C07G H07I 109.5 . . ?
H07G C07G H07I 109.5 . . ?
H07H C07G H07I 109.5 . . ?
C0AE C07H C45 106(2) . . ?
C0AE C07H C095 105(2) . . ?
C45 C07H C095 104(2) . . ?
C0AE C07H S26 111(2) . . ?
C45 C07H S26 112(2) . . ?
C095 C07H S26 118(2) . . ?
C062 C07I C08E 120.0(11) . . ?
C062 C07I H07J 120.0 . . ?
C08E C07I H07J 120.0 . . ?
C09W C07J H07U 109.5 . . ?
C09W C07J H07V 109.5 . . ?
H07U C07J H07V 109.5 . . ?
C09W C07J H07W 109.5 . . ?
H07U C07J H07W 109.5 . . ?
H07V C07J H07W 109.5 . . ?
C03T C07K H07X 109.5 . . ?
C03T C07K H07Y 109.5 . . ?
H07X C07K H07Y 109.5 . . ?
C03T C07K HJ 109.5 . . ?
H07X C07K HJ 109.5 . . ?
H07Y C07K HJ 109.5 . . ?
C7 C07M C29 117.1(13) . . ?
C7 C07M H07Z 121.5 . . ?
C29 C07M H07Z 121.4 . . ?
C049 C07N C05P 120.0(11) . . ?
C049 C07N H07 120.0 . . ?
C05P C07N H07 120.0 . . ?
C03D C07O H07K 109.5 . . ?
C03D C07O H07L 109.5 . . ?
H07K C07O H07L 109.5 . . ?
C03D C07O H07M 109.5 . . ?
H07K C07O H07M 109.5 . . ?
H07L C07O H07M 109.5 . . ?
C26 C07P C36 119.7(11) . . ?
C26 C07P H07P 120.1 . . ?
C36 C07P H07P 120.1 . . ?
C03K C07Q H07N 109.5 . . ?
C03K C07Q H07O 109.5 . . ?
H07N C07Q H07O 109.5 . . ?
C03K C07Q H07Q 109.5 . . ?
H07N C07Q H07Q 109.5 . . ?
H07O C07Q H07Q 109.5 . . ?
C05O C07U C14 126(4) . . ?
C05O C07U H10 117.1 . . ?
C14 C07U H10 117.1 . . ?
C07Z C07W C08W 116.3(17) . . ?
C07Z C07W H12 121.8 . . ?
C08W C07W H12 121.8 . . ?
C03E C07Y H14 109.5 . . ?
C03E C07Y HK 109.5 . . ?
H14 C07Y HK 109.5 . . ?
C03E C07Y HL 109.5 . . ?
H14 C07Y HL 109.5 . . ?
HK C07Y HL 109.5 . . ?
C07W C07Z C08I 121.9(14) . . ?
C07W C07Z H15 119.1 . . ?
C08I C07Z H15 119.1 . . ?
S1R Cu07 Cu09 137.0(3) . . ?
S1R Cu07 Cu02 98.7(3) . . ?
Cu09 Cu07 Cu02 91.35(17) . . ?
S1R Cu07 Cu0L 140.4(3) . . ?
Cu09 Cu07 Cu0L 57.76(15) . . ?
Cu02 Cu07 Cu0L 119.41(18) . . ?
S1R Cu07 Cu01 153.5(3) . . ?
Cu09 Cu07 Cu01 64.29(15) . . ?
Cu02 Cu07 Cu01 60.31(13) . . ?
Cu0L Cu07 Cu01 59.37(14) . . ?
S1R Cu07 Cu0U 54.9(3) . . ?
Cu09 Cu07 Cu0U 164.3(2) . . ?
Cu02 Cu07 Cu0U 96.84(18) . . ?
Cu0L Cu07 Cu0U 106.54(18) . . ?
Cu01 Cu07 Cu0U 108.49(18) . . ?
S1R Cu07 Cu1F 56.1(3) . . ?
Cu09 Cu07 Cu1F 95.10(18) . . ?
Cu02 Cu07 Cu1F 60.75(15) . . ?
Cu0L Cu07 Cu1F 152.4(2) . . ?
Cu01 Cu07 Cu1F 116.14(18) . . ?
Cu0U Cu07 Cu1F 100.61(19) . . ?
S1R Cu07 Cu0J 111.0(3) . . ?
Cu09 Cu07 Cu0J 110.89(18) . . ?
Cu02 Cu07 Cu0J 89.12(15) . . ?
Cu0L Cu07 Cu0J 62.74(14) . . ?
Cu01 Cu07 Cu0J 56.94(13) . . ?
Cu0U Cu07 Cu0J 56.09(14) . . ?
Cu1F Cu07 Cu0J 140.98(19) . . ?
S1R Cu07 H49 115.8(3) . . ?
Cu09 Cu07 H49 44.54(12) . . ?
Cu02 Cu07 H49 135.8(2) . . ?
Cu0L Cu07 H49 41.59(11) . . ?
Cu01 Cu07 H49 90.55(17) . . ?
Cu0U Cu07 H49 125.2(2) . . ?
Cu1F Cu07 H49 116.4(2) . . ?
Cu0J Cu07 H49 102.43(17) . . ?
S1R Cu07 H57 109.9(3) . . ?
Cu09 Cu07 H57 107.48(19) . . ?
Cu02 Cu07 H57 47.24(11) . . ?
Cu0L Cu07 H57 90.57(16) . . ?
Cu01 Cu07 H57 44.42(11) . . ?
Cu0U Cu07 H57 69.51(15) . . ?
Cu1F Cu07 H57 103.56(17) . . ?
Cu0J Cu07 H57 41.92(10) . . ?
H49 Cu07 H57 130.7(2) . . ?
C2 C8 C29 119.4(12) . . ?
C2 C8 H8A 120.2 . . ?
C29 C8 H8A 120.3 . . ?
C04W C08E C07I 119.4(11) . . ?
C04W C08E H08E 120.3 . . ?
C07I C08E H08E 120.3 . . ?
C08I C08F C08V 115.5(17) . . ?
C08I C08F P02O 120(4) . . ?
C08V C08F P02O 124(4) . . ?
C046 C08G H08A 109.5 . . ?
C046 C08G H08B 109.5 . . ?
H08A C08G H08B 109.5 . . ?
C046 C08G H08C 109.5 . . ?
H08A C08G H08C 109.5 . . ?
H08B C08G H08C 109.5 . . ?
C08F C08I C07Z 121.3(14) . . ?
C08F C08I H08Z 119.4 . . ?
C07Z C08I H08Z 119.4 . . ?
C04G C08K C1 120.1(10) . . ?
C04G C08K H08K 120.0 . . ?
C1 C08K H08K 120.0 . . ?
C06N C08L H08D 109.5 . . ?
C06N C08L H08F 109.5 . . ?
H08D C08L H08F 109.5 . . ?
C06N C08L H08G 109.5 . . ?
H08D C08L H08G 109.5 . . ?
H08F C08L H08G 109.5 . . ?
C13 C08M C06F 119.9(10) . . ?
C13 C08M H08M 120.1 . . ?
C06F C08M H08M 120.1 . . ?
C30 C08O C06S 110.7(14) . . ?
C30 C08O C081 111.2(14) . . ?
C06S C08O C081 111.1(14) . . ?
C30 C08O S2K 105.6(19) . . ?
C06S C08O S2K 107.4(19) . . ?
C081 C08O S2K 110.6(18) . . ?
C52 C08P C87 121.8(10) . . ?
C52 C08P P02T 123(3) . . ?
C87 C08P P02T 115(3) . . ?
C41 C08S C24 119.5(11) . . ?
C41 C08S H08 120.2 . . ?
C24 C08S H08 120.2 . . ?
C55 C08T C04H 120.2(11) . . ?
C55 C08T H08T 119.9 . . ?
C04H C08T H08T 119.9 . . ?
C06Z C08U H16 109.5 . . ?
C06Z C08U HM 109.5 . . ?
H16 C08U HM 109.5 . . ?
C06Z C08U HN 109.5 . . ?
H16 C08U HN 109.5 . . ?
HM C08U HN 109.5 . . ?
C08W C08V C08F 122.4(13) . . ?
C08W C08V H17 118.8 . . ?
C08F C08V H17 118.8 . . ?
C08V C08W C07W 121.3(13) . . ?
C08V C08W H18 119.4 . . ?
C07W C08W H18 119.4 . . ?
C045 C08X H19 109.5 . . ?
C045 C08X HO 109.5 . . ?
H19 C08X HO 109.5 . . ?
C045 C08X HP 109.5 . . ?
H19 C08X HP 109.5 . . ?
HO C08X HP 109.5 . . ?
C056 C08Y C05O 112(4) . . ?
C056 C08Y H21 123.9 . . ?
C05O C08Y H21 123.9 . . ?
C09W C08Z H22 109.5 . . ?
C09W C08Z HQ 109.5 . . ?
H22 C08Z HQ 109.5 . . ?
C09W C08Z HR 109.5 . . ?
H22 C08Z HR 109.5 . . ?
HQ C08Z HR 109.5 . . ?
S1W Cu08 Cu0K 137.7(3) . . ?
S1W Cu08 Cu17 55.2(2) . . ?
Cu0K Cu08 Cu17 164.1(2) . . ?
S1W Cu08 Cu06 97.1(3) . . ?
Cu0K Cu08 Cu06 90.93(17) . . ?
Cu17 Cu08 Cu06 96.56(19) . . ?
S1W Cu08 Cu0O 142.2(3) . . ?
Cu0K Cu08 Cu0O 57.95(15) . . ?
Cu17 Cu08 Cu0O 106.25(17) . . ?
Cu06 Cu08 Cu0O 118.95(18) . . ?
S1W Cu08 Cu01 151.3(3) . . ?
Cu0K Cu08 Cu01 64.43(15) . . ?
Cu17 Cu08 Cu01 107.74(19) . . ?
Cu06 Cu08 Cu01 59.29(14) . . ?
Cu0O Cu08 Cu01 59.93(14) . . ?
S1W Cu08 Cu1I 55.3(2) . . ?
Cu0K Cu08 Cu1I 94.44(18) . . ?
Cu17 Cu08 Cu1I 101.42(19) . . ?
Cu06 Cu08 Cu1I 61.47(15) . . ?
Cu0O Cu08 Cu1I 151.9(2) . . ?
Cu01 Cu08 Cu1I 115.70(18) . . ?
S1W Cu08 Cu0I 111.3(3) . . ?
Cu0K Cu08 Cu0I 110.39(17) . . ?
Cu17 Cu08 Cu0I 56.05(14) . . ?
Cu06 Cu08 Cu0I 88.76(16) . . ?
Cu0O Cu08 Cu0I 62.28(14) . . ?
Cu01 Cu08 Cu0I 56.63(13) . . ?
Cu1I Cu08 Cu0I 141.8(2) . . ?
S1W Cu08 H59 110.2(3) . . ?
Cu0K Cu08 H59 99.43(18) . . ?
Cu17 Cu08 H59 64.79(15) . . ?
Cu06 Cu08 H59 123.1(2) . . ?
Cu0O Cu08 H59 41.48(11) . . ?
Cu01 Cu08 H59 75.49(14) . . ?
Cu1I Cu08 H59 165.2(2) . . ?
Cu0I Cu08 H59 35.26(11) . . ?
S1W Cu08 H61 114.0(3) . . ?
Cu0K Cu08 H61 47.40(13) . . ?
Cu17 Cu08 H61 123.6(2) . . ?
Cu06 Cu08 H61 138.3(2) . . ?
Cu0O Cu08 H61 44.30(12) . . ?
Cu01 Cu08 H61 94.70(16) . . ?
Cu1I Cu08 H61 114.3(2) . . ?
Cu0I Cu08 H61 103.81(16) . . ?
H59 Cu08 H61 72.50(14) . . ?
C50 C9 C40 121.1(11) . . ?
C50 C9 H9A 119.5 . . ?
C40 C9 H9A 119.5 . . ?
C046 C09B H09A 109.5 . . ?
C046 C09B H09B 109.5 . . ?
H09A C09B H09B 109.5 . . ?
C046 C09B H09C 109.5 . . ?
H09A C09B H09C 109.5 . . ?
H09B C09B H09C 109.5 . . ?
C038 C09E C07D 111.0(18) . . ?
C038 C09E C09M 111.4(18) . . ?
C07D C09E C09M 110.6(18) . . ?
C038 C09E S1Z 105(2) . . ?
C07D C09E S1Z 110(2) . . ?
C09M C09E S1Z 108(2) . . ?
C09E C09M H09D 109.5 . . ?
C09E C09M H09E 109.5 . . ?
H09D C09M H09E 109.5 . . ?
C09E C09M H09F 109.5 . . ?
H09D C09M H09F 109.5 . . ?
H09E C09M H09F 109.5 . . ?
C06Z C09N H09J 109.5 . . ?
C06Z C09N H09K 109.5 . . ?
H09J C09N H09K 109.5 . . ?
C06Z C09N H09L 109.5 . . ?
H09J C09N H09L 109.5 . . ?
H09K C09N H09L 109.5 . . ?
C0AC C09U H09G 109.5 . . ?
C0AC C09U H09H 109.5 . . ?
H09G C09U H09H 109.5 . . ?
C0AC C09U H09I 109.5 . . ?
H09G C09U H09I 109.5 . . ?
H09H C09U H09I 109.5 . . ?
C07J C09W C08Z 105.4(19) . . ?
C07J C09W C33 106(2) . . ?
C08Z C09W C33 104.6(19) . . ?
C07J C09W S2J 113.9(18) . . ?
C08Z C09W S2J 113.5(18) . . ?
C33 C09W S2J 112.6(17) . . ?
C21 C09Z C36 120.1(11) . . ?
C21 C09Z H09Z 119.9 . . ?
C36 C09Z H09Z 119.9 . . ?
S1Z Cu09 Cu0L 136.6(3) . . ?
S1Z Cu09 Cu07 140.4(3) . . ?
Cu0L Cu09 Cu07 63.65(15) . . ?
S1Z Cu09 Cu14 56.0(3) . . ?
Cu0L Cu09 Cu14 93.48(19) . . ?
Cu07 Cu09 Cu14 157.1(2) . . ?
S1Z Cu09 Cu18 60.0(3) . . ?
Cu0L Cu09 Cu18 157.5(2) . . ?
Cu07 Cu09 Cu18 93.97(19) . . ?
Cu14 Cu09 Cu18 108.8(2) . . ?
S1Z Cu09 Cu0N 99.7(3) . . ?
Cu0L Cu09 Cu0N 119.54(19) . . ?
Cu07 Cu09 Cu0N 88.50(17) . . ?
Cu14 Cu09 Cu0N 105.69(18) . . ?
Cu18 Cu09 Cu0N 58.34(14) . . ?
S1Z Cu09 Cu01 154.0(3) . . ?
Cu0L Cu09 Cu01 59.74(14) . . ?
Cu07 Cu09 Cu01 60.31(14) . . ?
Cu14 Cu09 Cu01 111.10(19) . . ?
Cu18 Cu09 Cu01 112.59(18) . . ?
Cu0N Cu09 Cu01 59.84(13) . . ?
S1Z Cu09 Cu0K 97.2(3) . . ?
Cu0L Cu09 Cu0K 87.83(17) . . ?
Cu07 Cu09 Cu0K 119.92(19) . . ?
Cu14 Cu09 Cu0K 57.01(16) . . ?
Cu18 Cu09 Cu0K 106.74(17) . . ?
Cu0N Cu09 Cu0K 60.08(14) . . ?
Cu01 Cu09 Cu0K 59.64(14) . . ?
S1Z Cu09 H39 101.1(3) . . ?
Cu0L Cu09 H39 120.9(2) . . ?
Cu07 Cu09 H39 62.50(15) . . ?
Cu14 Cu09 H39 138.5(2) . . ?
Cu18 Cu09 H39 41.38(13) . . ?
Cu0N Cu09 H39 38.93(11) . . ?
Cu01 Cu09 H39 73.56(15) . . ?
Cu0K Cu09 H39 98.67(17) . . ?
S1Z Cu09 H42 75.1(3) . . ?
Cu0L Cu09 H42 124.4(2) . . ?
Cu07 Cu09 H42 126.4(2) . . ?
Cu14 Cu09 H42 66.98(16) . . ?
Cu18 Cu09 H42 69.73(15) . . ?
Cu0N Cu09 H42 38.92(12) . . ?
Cu01 Cu09 H42 79.02(16) . . ?
Cu0K Cu09 H42 37.28(11) . . ?
H39 Cu09 H42 74.07(14) . . ?
S1Z Cu09 H49 118.5(3) . . ?
Cu0L Cu09 H49 45.11(12) . . ?
Cu07 Cu09 H49 44.42(12) . . ?
Cu14 Cu09 H49 118.1(2) . . ?
Cu18 Cu09 H49 117.3(2) . . ?
Cu0N Cu09 H49 132.8(2) . . ?
Cu01 Cu09 H49 87.31(17) . . ?
Cu0K Cu09 H49 132.8(2) . . ?
H39 Cu09 H49 103.1(2) . . ?
H42 Cu09 H49 166.3(3) . . ?
C09W C33 H33A 109.5 . . ?
C09W C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C09W C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
P02O Cu10 S1O 134.2(5) . . ?
P02O Cu10 S25 131.8(5) . . ?
S1O Cu10 S25 89.1(3) . . ?
P02O Cu10 Cu0R 132.2(4) . . ?
S1O Cu10 Cu0R 49.1(3) . . ?
S25 Cu10 Cu0R 89.8(3) . . ?
S1N Cu11 S1S 127.4(4) . . ?
S1N Cu11 Cl2C 123.5(4) . . ?
S1S Cu11 Cl2C 106.4(4) . . ?
S1N Cu11 Cu0Q 56.4(2) . . ?
S1S Cu11 Cu0Q 124.0(3) . . ?
Cl2C Cu11 Cu0Q 109.1(3) . . ?
S1N Cu11 Cu0C 97.1(3) . . ?
S1S Cu11 Cu0C 55.6(2) . . ?
Cl2C Cu11 Cu0C 130.3(3) . . ?
Cu0Q Cu11 Cu0C 68.43(15) . . ?
S1N Cu11 H45 110.2(3) . . ?
S1S Cu11 H45 88.2(3) . . ?
Cl2C Cu11 H45 85.1(3) . . ?
Cu0Q Cu11 H45 54.12(13) . . ?
Cu0C Cu11 H45 52.14(13) . . ?
C15 C12 H12A 109.5 . . ?
C15 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C15 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
S1Y Cu12 Cl28 125.2(4) . . ?
S1Y Cu12 S25 126.8(4) . . ?
Cl28 Cu12 S25 104.9(4) . . ?
S1Y Cu12 Cu0P 55.5(3) . . ?
Cl28 Cu12 Cu0P 113.3(3) . . ?
S25 Cu12 Cu0P 122.2(3) . . ?
S1Y Cu12 Cu0E 95.9(3) . . ?
Cl28 Cu12 Cu0E 130.5(3) . . ?
S25 Cu12 Cu0E 56.7(3) . . ?
Cu0P Cu12 Cu0E 65.53(16) . . ?
C6 C05A C04N 119.8(10) . . ?
C6 C05A H05K 120.1 . . ?
C04N C05A H05K 120.1 . . ?
C13 C6 C05A 120.5(11) . . ?
C13 C6 H6 119.8 . . ?
C05A C6 H6 119.8 . . ?
C08M C13 C6 119.9(11) . . ?
C08M C13 H13 120.1 . . ?
C6 C13 H13 120.1 . . ?
S21 Cu13 S23 130.6(4) . . ?
S21 Cu13 Cl1 120.3(4) . . ?
S23 Cu13 Cl1 107.7(4) . . ?
S21 Cu13 Cu0J 55.5(2) . . ?
S23 Cu13 Cu0J 122.9(3) . . ?
Cl1 Cu13 Cu0J 105.7(3) . . ?
S21 Cu13 Cu0L 97.8(3) . . ?
S23 Cu13 Cu0L 56.1(2) . . ?
Cl1 Cu13 Cu0L 128.3(3) . . ?
Cu0J Cu13 Cu0L 66.84(16) . . ?
S21 Cu13 Cu16 167.0(3) . . ?
S23 Cu13 Cu16 49.2(2) . . ?
Cl1 Cu13 Cu16 58.6(3) . . ?
Cu0J Cu13 Cu16 137.3(2) . . ?
Cu0L Cu13 Cu16 91.43(18) . . ?
C07U C14 C22 105(4) . . ?
C07U C14 H14A 127.3 . . ?
C22 C14 H14A 127.3 . . ?
Cl Cu14 S1Z 128.1(5) . . ?
Cl Cu14 S2D 123.6(5) . . ?
S1Z Cu14 S2D 94.3(4) . . ?
Cl Cu14 Cu0K 126.8(4) . . ?
S1Z Cu14 Cu0K 103.1(3) . . ?
S2D Cu14 Cu0K 55.6(3) . . ?
Cl Cu14 Cu09 130.1(4) . . ?
S1Z Cu14 Cu09 55.9(3) . . ?
S2D Cu14 Cu09 103.0(3) . . ?
Cu0K Cu14 Cu09 65.03(17) . . ?
Cl Cu14 Cu1B 49.8(3) . . ?
S1Z Cu14 Cu1B 129.9(3) . . ?
S2D Cu14 Cu1B 129.9(3) . . ?
Cu0K Cu14 Cu1B 88.23(19) . . ?
Cu09 Cu14 Cu1B 88.05(19) . . ?
C28 C15 C04Z 112.1(16) . . ?
C28 C15 C12 111.7(17) . . ?
C04Z C15 C12 109.7(16) . . ?
C28 C15 S1V 104.4(19) . . ?
C04Z C15 S1V 110(2) . . ?
C12 C15 S1V 108(2) . . ?
P2G Cu15 S1V 134.6(4) . . ?
P2G Cu15 S1Q 133.0(4) . . ?
S1V Cu15 S1Q 87.6(3) . . ?
P2G Cu15 Cl20 99.4(4) . . ?
S1V Cu15 Cl20 97.3(4) . . ?
S1Q Cu15 Cl20 92.8(3) . . ?
P2G Cu15 Cu0Y 127.9(4) . . ?
S1V Cu15 Cu0Y 49.0(3) . . ?
S1Q Cu15 Cu0Y 93.5(3) . . ?
Cl20 Cu15 Cu0Y 48.5(2) . . ?
C95 C32 C50 120.3(11) . . ?
C95 C32 H32 119.9 . . ?
C50 C32 H32 119.9 . . ?
P2F Cu16 S23 129.4(4) . . ?
P2F Cu16 S2A 137.5(4) . . ?
S23 Cu16 S2A 88.3(3) . . ?
P2F Cu16 Cl1 99.7(4) . . ?
S23 Cu16 Cl1 95.6(4) . . ?
S2A Cu16 Cl1 94.4(3) . . ?
P2F Cu16 Cu1A 130.0(3) . . ?
S23 Cu16 Cu1A 94.5(3) . . ?
S2A Cu16 Cu1A 47.9(3) . . ?
Cl1 Cu16 Cu1A 46.6(2) . . ?
P2F Cu16 Cu13 124.3(3) . . ?
S23 Cu16 Cu13 48.6(3) . . ?
S2A Cu16 Cu13 94.2(3) . . ?
Cl1 Cu16 Cu13 47.1(2) . . ?
Cu1A Cu16 Cu13 64.49(15) . . ?
C31 C17 C18 120.3(11) . . ?
C31 C17 H17A 119.8 . . ?
C18 C17 H17A 119.8 . . ?
S27 Cu17 S1W 129.6(4) . . ?
S27 Cu17 Cl22 123.1(4) . . ?
S1W Cu17 Cl22 105.4(3) . . ?
S27 Cu17 Cu0I 56.1(2) . . ?
S1W Cu17 Cu0I 123.6(3) . . ?
Cl22 Cu17 Cu0I 107.9(3) . . ?
S27 Cu17 Cu08 97.3(3) . . ?
S1W Cu17 Cu08 56.4(2) . . ?
Cl22 Cu17 Cu08 128.6(3) . . ?
Cu0I Cu17 Cu08 67.20(16) . . ?
C19 C18 C17 119.7(11) . . ?
C19 C18 H18A 120.1 . . ?
C17 C18 H18A 120.1 . . ?
Cl02 Cu18 S2K 138.5(4) . . ?
Cl02 Cu18 S1Z 119.9(4) . . ?
S2K Cu18 S1Z 91.1(4) . . ?
Cl02 Cu18 Cu0N 133.5(4) . . ?
S2K Cu18 Cu0N 56.1(3) . . ?
S1Z Cu18 Cu0N 98.7(3) . . ?
Cl02 Cu18 Cu09 119.3(4) . . ?
S2K Cu18 Cu09 100.8(3) . . ?
S1Z Cu18 Cu09 54.0(3) . . ?
Cu0N Cu18 Cu09 62.68(15) . . ?
Cl02 Cu18 Cu1F 48.1(3) . . ?
S2K Cu18 Cu1F 130.3(3) . . ?
S1Z Cu18 Cu1F 130.6(3) . . ?
Cu0N Cu18 Cu1F 87.76(18) . . ?
Cu09 Cu18 Cu1F 88.24(18) . . ?
Cl02 Cu18 H39 105.4(3) . . ?
S2K Cu18 H39 97.7(3) . . ?
S1Z Cu18 H39 95.1(3) . . ?
Cu0N Cu18 H39 41.82(12) . . ?
Cu09 Cu18 H39 41.37(13) . . ?
Cu1F Cu18 H39 58.78(16) . . ?
C18 C19 C89 119.5(11) . . ?
C18 C19 H19A 120.3 . . ?
C89 C19 H19A 120.3 . . ?
P2H Cu19 S1S 133.0(4) . . ?
P2H Cu19 S26 132.9(4) . . ?
S1S Cu19 S26 88.0(3) . . ?
P2H Cu19 Cl2C 102.8(4) . . ?
S1S Cu19 Cl2C 94.2(3) . . ?
S26 Cu19 Cl2C 94.5(3) . . ?
C60 C20 C87 120.1(10) . . ?
C60 C20 H20 120.0 . . ?
C87 C20 H20 120.0 . . ?
Cu0X Cl20 Cu0Y 88.6(4) . . ?
Cu0X Cl20 Cu15 78.5(3) . . ?
Cu0Y Cl20 Cu15 73.4(3) . . ?
C030 S21 Cu13 109.4(12) . . ?
C030 S21 Cu0U 112.8(13) . . ?
Cu13 S21 Cu0U 131.3(4) . . ?
C030 S21 Cu0J 116.7(12) . . ?
Cu13 S21 Cu0J 70.1(3) . . ?
Cu0U S21 Cu0J 70.0(3) . . ?
C14 C22 C056 131(4) . . ?
C14 C22 H22A 114.4 . . ?
C056 C22 H22A 114.4 . . ?
Cu17 Cl22 Cu0V 88.8(3) . . ?
Cu17 Cl22 Cu0Z 76.3(3) . . ?
Cu0V Cl22 Cu0Z 73.8(3) . . ?
C8 C29 C07M 118.0(13) . . ?
C8 C29 H29 120.9 . . ?
C07M C29 H29 121.1 . . ?
C03M S23 Cu13 112.8(11) . . ?
C03M S23 Cu0L 116.0(11) . . ?
Cu13 S23 Cu0L 68.6(3) . . ?
C03M S23 Cu16 122.0(11) . . ?
Cu13 S23 Cu16 82.2(3) . . ?
Cu0L S23 Cu16 121.4(4) . . ?
C03M S23 Cu1B 119.4(12) . . ?
Cu13 S23 Cu1B 123.5(4) . . ?
Cu0L S23 Cu1B 70.4(3) . . ?
Cu16 S23 Cu1B 87.7(3) . . ?
C38 C24 C08S 118.8(11) . . ?
C38 C24 H24 120.6 . . ?
C08S C24 H24 120.6 . . ?
C03I S24 Cu0W 111.9(8) . . ?
C03I S24 Cu0S 119.9(8) . . ?
Cu0W S24 Cu0S 82.8(3) . . ?
C03I S24 Cu02 117.9(8) . . ?
Cu0W S24 Cu02 69.3(3) . . ?
Cu0S S24 Cu02 121.6(4) . . ?
C03I S24 Cu1F 120.0(8) . . ?
Cu0W S24 Cu1F 124.9(4) . . ?
Cu0S S24 Cu1F 86.6(3) . . ?
Cu02 S24 Cu1F 71.3(3) . . ?
C03D C25 H25A 109.5 . . ?
C03D C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C03D C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C06M S25 Cu12 113.8(8) . . ?
C06M S25 Cu10 121.3(8) . . ?
Cu12 S25 Cu10 86.5(3) . . ?
C06M S25 Cu0E 115.3(8) . . ?
Cu12 S25 Cu0E 68.4(3) . . ?
Cu10 S25 Cu0E 123.3(4) . . ?
C06M S25 Cu1H 118.3(8) . . ?
Cu12 S25 Cu1H 124.2(4) . . ?
Cu10 S25 Cu1H 83.2(3) . . ?
Cu0E S25 Cu1H 72.5(3) . . ?
C07H S26 Cu0T 109.1(9) . . ?
C07H S26 Cu0D 120.1(8) . . ?
Cu0T S26 Cu0D 69.5(3) . . ?
C07H S26 Cu19 119.3(8) . . ?
Cu0T S26 Cu19 82.0(3) . . ?
Cu0D S26 Cu19 119.6(4) . . ?
C07H S26 Cu1K 125.8(9) . . ?
Cu0T S26 Cu1K 123.0(4) . . ?
Cu0D S26 Cu1K 70.9(3) . . ?
Cu19 S26 Cu1K 83.7(3) . . ?
C04P S27 Cu17 110.2(8) . . ?
C04P S27 Cu1A 110.2(8) . . ?
Cu17 S27 Cu1A 130.6(4) . . ?
C04P S27 Cu0I 113.5(8) . . ?
Cu17 S27 Cu0I 69.4(3) . . ?
Cu1A S27 Cu0I 69.2(3) . . ?
C06H C27 C06E 107(2) . . ?
C06H C27 C077 107(2) . . ?
C06E C27 C077 107(2) . . ?
C06H C27 S1Q 116(2) . . ?
C06E C27 S1Q 107(2) . . ?
C077 C27 S1Q 112(2) . . ?
Cu0R Cl28 Cu12 84.3(3) . . ?
C15 C28 H28A 109.5 . . ?
C15 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C15 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C03A P29 C03J 103.1(14) . . ?
C03A P29 C03O 106.3(14) . . ?
C03J P29 C03O 106.3(13) . . ?
C03A P29 Cu0Z 112.6(10) . . ?
C03J P29 Cu0Z 114.2(9) . . ?
C03O P29 Cu0Z 113.4(11) . . ?
C03Q C030 C03B 119(3) . . ?
C03Q C030 C041 109(3) . . ?
C03B C030 C041 110(3) . . ?
C03Q C030 S21 108(3) . . ?
C03B C030 S21 106(2) . . ?
C041 C030 S21 104(2) . . ?
C04E C031 C037 120.2(10) . . ?
C04E C031 H031 119.9 . . ?
C037 C031 H031 119.9 . . ?
C06J C032 C040 119.6(11) . . ?
C06J C032 P2G 117(2) . . ?
C040 C032 P2G 123(2) . . ?
C039 C033 C036 110.6(16) . . ?
C039 C033 C03L 111.2(16) . . ?
C036 C033 C03L 111.4(15) . . ?
C039 C033 S1X 113(2) . . ?
C036 C033 S1X 107.1(19) . . ?
C03L C033 S1X 103.7(19) . . ?
C03Z C034 C02Z 121(3) . . ?
C03Z C034 H034 119.7 . . ?
C02Z C034 H034 119.7 . . ?
C09Z C36 C07P 119.4(11) . . ?
C09Z C36 H36 120.3 . . ?
C07P C36 H36 120.3 . . ?
C033 C036 H03L 109.5 . . ?
C033 C036 H03M 109.5 . . ?
H03L C036 H03M 109.5 . . ?
C033 C036 H03N 109.5 . . ?
H03L C036 H03N 109.5 . . ?
H03M C036 H03N 109.5 . . ?
C071 C037 C031 120.2(10) . . ?
C071 C037 P2G 126(2) . . ?
C031 C037 P2G 114(2) . . ?
C24 C38 C43 120.3(11) . . ?
C24 C38 H38 119.8 . . ?
C43 C38 H38 119.8 . . ?
C09E C038 H03O 109.5 . . ?
C09E C038 H03P 109.5 . . ?
H03O C038 H03P 109.5 . . ?
C09E C038 H03Q 109.5 . . ?
H03O C038 H03Q 109.5 . . ?
H03P C038 H03Q 109.5 . . ?
C033 C039 H03R 109.5 . . ?
C033 C039 H03T 109.5 . . ?
H03R C039 H03T 109.5 . . ?
C033 C039 H03U 109.5 . . ?
H03R C039 H03U 109.5 . . ?
H03T C039 H03U 109.5 . . ?
C073 C040 C032 120.0(11) . . ?
C073 C040 H040 120.0 . . ?
C032 C040 H040 120.0 . . ?
C65 C40 C9 120.0(11) . . ?
C65 C40 H40 120.0 . . ?
C9 C40 H40 120.0 . . ?
C030 C041 H04E 109.5 . . ?
C030 C041 H04F 109.5 . . ?
H04E C041 H04F 109.5 . . ?
C030 C041 H04H 109.5 . . ?
H04E C041 H04H 109.5 . . ?
H04F C041 H04H 109.5 . . ?
C08S C41 C05K 121.0(10) . . ?
C08S C41 H41 119.5 . . ?
C05K C41 H41 119.5 . . ?
C048 C042 H23 109.5 . . ?
C048 C042 HS 109.5 . . ?
H23 C042 HS 109.5 . . ?
C048 C042 HT 109.5 . . ?
H23 C042 HT 109.5 . . ?
HS C042 HT 109.5 . . ?
C03W C043 C04L 119.4(10) . . ?
C03W C043 P2F 117(2) . . ?
C04L C043 P2F 123(2) . . ?
C38 C43 C05K 120.0(10) . . ?
C38 C43 H43 120.0 . . ?
C05K C43 H43 120.0 . . ?
C05E C044 C04A 113(3) . . ?
C05E C044 P2H 129(3) . . ?
C04A C044 P2H 118(3) . . ?
C070 C045 C08X 112(3) . . ?
C070 C045 C03V 110(3) . . ?
C08X C045 C03V 109(3) . . ?
C070 C045 S1S 107(2) . . ?
C08X C045 S1S 113(2) . . ?
C03V C045 S1S 105(2) . . ?
C07H C45 H45A 109.5 . . ?
C07H C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C07H C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C09B C046 C05Y 107.8(18) . . ?
C09B C046 C08G 107.5(18) . . ?
C05Y C046 C08G 107.8(18) . . ?
C09B C046 S2A 111(2) . . ?
C05Y C046 S2A 111(2) . . ?
C08G C046 S2A 111(2) . . ?
C061 C047 C04R 120.0(10) . . ?
C061 C047 P2L 123.4(19) . . ?
C04R C047 P2L 116.4(19) . . ?
C042 C048 C03U 112.8(16) . . ?
C042 C048 C04U 112.7(15) . . ?
C03U C048 C04U 112.1(16) . . ?
C042 C048 S1N 109(2) . . ?
C03U C048 S1N 105(2) . . ?
C04U C048 S1N 105.0(19) . . ?
C07N C049 C093 119.4(11) . . ?
C07N C049 P02R 124(2) . . ?
C093 C049 P02R 117(2) . . ?
C9 C50 C32 118.5(11) . . ?
C9 C50 P02O 129(4) . . ?
C32 C50 P02O 113(4) . . ?
C08P C52 C99 120.8(10) . . ?
C08P C52 H52 119.6 . . ?
C99 C52 H52 119.6 . . ?
C1 C053 C06R 119.9(10) . . ?
C1 C053 H053 120.0 . . ?
C06R C053 H053 120.0 . . ?
C05B C054 C03O 119.9(11) . . ?
C05B C054 H054 120.1 . . ?
C03O C054 H054 120.1 . . ?
C05U C055 C05Z 119.9(10) . . ?
C05U C055 P2G 122(2) . . ?
C05Z C055 P2G 118(2) . . ?
C08Y C056 C22 118(4) . . ?
C08Y C056 P2H 126(3) . . ?
C22 C056 P2H 116(3) . . ?
C03Y C057 C04Y 119.8(10) . . ?
C03Y C057 H057 120.1 . . ?
C04Y C057 H057 120.1 . . ?
C05V C058 C06P 120.1(10) . . ?
C05V C058 H058 120.0 . . ?
C06P C058 H058 120.0 . . ?
C20 C60 C99 121.1(10) . . ?
C20 C60 H60 119.4 . . ?
C99 C60 H60 119.4 . . ?
C065 C21 C09Z 119.8(11) . . ?
C065 C21 P02T 126(4) . . ?
C09Z C21 P02T 114(4) . . ?
C047 C061 C011 119.6(10) . . ?
C047 C061 H061 120.2 . . ?
C011 C061 H061 120.2 . . ?
C11 C011 C061 120.1(10) . . ?
C11 C011 H011 120.0 . . ?
C061 C011 H011 120.0 . . ?
C5 C11 C011 120.2(10) . . ?
C5 C11 H11 119.9 . . ?
C011 C11 H11 119.9 . . ?
C07I C062 C06G 120.1(11) . . ?
C07I C062 H062 120.0 . . ?
C06G C062 H062 120.0 . . ?
C05P C063 C087 119.5(11) . . ?
C05P C063 H063 120.3 . . ?
C087 C063 H063 120.3 . . ?
C03J C064 C05C 120.7(10) . . ?
C03J C064 H064 119.6 . . ?
C05C C064 H064 119.6 . . ?
C21 C065 C26 119.9(11) . . ?
C21 C065 H065 120.0 . . ?
C26 C065 H065 120.0 . . ?
C95 C65 C40 119.2(11) . . ?
C95 C65 H65 120.4 . . ?
C40 C65 H65 120.4 . . ?
C04L C066 C080 118.9(12) . . ?
C04L C066 H066 120.5 . . ?
C080 C066 H066 120.5 . . ?
C06R C067 C04G 120.0(10) . . ?
C06R C067 H067 120.0 . . ?
C04G C067 H067 120.0 . . ?
C04Q C068 H25 109.5 . . ?
C04Q C068 HU 109.5 . . ?
H25 C068 HU 109.5 . . ?
C04Q C068 HV 109.5 . . ?
H25 C068 HV 109.5 . . ?
HU C068 HV 109.5 . . ?
C06P C069 C04I 120.2(10) . . ?
C06P C069 H069 119.9 . . ?
C04I C069 H069 119.9 . . ?
C045 C070 H27 109.5 . . ?
C045 C070 HW 109.5 . . ?
H27 C070 HW 109.5 . . ?
C045 C070 HX 109.5 . . ?
H27 C070 HX 109.5 . . ?
HW C070 HX 109.5 . . ?
C037 C071 C086 119.8(10) . . ?
C037 C071 H071 120.1 . . ?
C086 C071 H071 120.1 . . ?
C06M C072 H28 109.5 . . ?
C06M C072 HY 109.5 . . ?
H28 C072 HY 109.5 . . ?
C06M C072 HZ 109.5 . . ?
H28 C072 HZ 109.5 . . ?
HY C072 HZ 109.5 . . ?
C08O C30 H30A 109.5 . . ?
C08O C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C08O C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C7 C73 C2 119.6(11) . . ?
C7 C73 P02R 103(3) . . ?
C2 C73 P02R 137(3) . . ?
C07X C06X C06J 119.5(11) . . ?
C07X C06X H30 120.3 . . ?
C06J C06X H30 120.3 . . ?
C073 C07X C06X 119.9(11) . . ?
C073 C07X H31 120.1 . . ?
C06X C07X H31 120.1 . . ?
C07X C073 C040 120.5(11) . . ?
C07X C073 H073 119.7 . . ?
C040 C073 H073 119.7 . . ?
C04P C076 H07R 109.5 . . ?
C04P C076 H07S 109.5 . . ?
H07R C076 H07S 109.5 . . ?
C04P C076 H07T 109.5 . . ?
H07R C076 H07T 109.5 . . ?
H07S C076 H07T 109.5 . . ?
C27 C077 H33 109.5 . . ?
C27 C077 H34 109.5 . . ?
H33 C077 H34 109.5 . . ?
C27 C077 H35 109.5 . . ?
H33 C077 H35 109.5 . . ?
H34 C077 H35 109.5 . . ?
C05W C080 C066 119.1(11) . . ?
C05W C080 H080 120.4 . . ?
C066 C080 H080 120.4 . . ?
C08O C081 H08H 109.5 . . ?
C08O C081 H08I 109.5 . . ?
H08H C081 H08I 109.5 . . ?
C08O C081 H08J 109.5 . . ?
H08H C081 H08J 109.5 . . ?
H08I C081 H08J 109.5 . . ?
C03M C082 H08L 109.5 . . ?
C03M C082 H08N 109.5 . . ?
H08L C082 H08N 109.5 . . ?
C03M C082 H08O 109.5 . . ?
H08L C082 H08O 109.5 . . ?
H08N C082 H08O 109.5 . . ?
C03M C085 H08P 109.5 . . ?
C03M C085 H08Q 109.5 . . ?
H08P C085 H08Q 109.5 . . ?
C03M C085 H08R 109.5 . . ?
H08P C085 H08R 109.5 . . ?
H08Q C085 H08R 109.5 . . ?
C04X C086 C071 119.4(10) . . ?
C04X C086 H086 120.3 . . ?
C071 C086 H086 120.3 . . ?
C20 C87 C08P 118.1(10) . . ?
C20 C87 H87 120.9 . . ?
C08P C87 H87 120.9 . . ?
C093 C087 C063 120.4(11) . . ?
C093 C087 H087 119.8 . . ?
C063 C087 H087 119.8 . . ?
C06N C088 H08S 109.5 . . ?
C06N C088 H08U 109.5 . . ?
H08S C088 H08U 109.5 . . ?
C06N C088 H08V 109.5 . . ?
H08S C088 H08V 109.5 . . ?
H08U C088 H08V 109.5 . . ?
C31 C88 C89 119.9(10) . . ?
C31 C88 H88 120.0 . . ?
C89 C88 H88 120.0 . . ?
C04P C089 H08W 109.5 . . ?
C04P C089 H08X 109.5 . . ?
H08W C089 H08X 109.5 . . ?
C04P C089 H08Y 109.5 . . ?
H08W C089 H08Y 109.5 . . ?
H08X C089 H08Y 109.5 . . ?
C19 C89 C88 119.3(11) . . ?
C19 C89 H89 120.3 . . ?
C88 C89 H89 120.3 . . ?
C06M C090 H09M 109.5 . . ?
C06M C090 H09N 109.5 . . ?
H09M C090 H09N 109.5 . . ?
C06M C090 H09O 109.5 . . ?
H09M C090 H09O 109.5 . . ?
H09N C090 H09O 109.5 . . ?
C087 C093 C049 120.2(11) . . ?
C087 C093 H093 119.9 . . ?
C049 C093 H093 119.9 . . ?
C07H C095 H09P 109.5 . . ?
C07H C095 H09Q 109.5 . . ?
H09P C095 H09Q 109.5 . . ?
C07H C095 H09R 109.5 . . ?
H09P C095 H09R 109.5 . . ?
H09Q C095 H09R 109.5 . . ?
C32 C95 C65 120.8(11) . . ?
C32 C95 H95 119.6 . . ?
C65 C95 H95 119.6 . . ?
C66 C098 C04H 119.9(10) . . ?
C66 C098 H098 120.1 . . ?
C04H C098 H098 120.1 . . ?
C06Z C099 H09S 109.5 . . ?
C06Z C099 H09T 109.5 . . ?
H09S C099 H09T 109.5 . . ?
C06Z C099 H09U 109.5 . . ?
H09S C099 H09U 109.5 . . ?
H09T C099 H09U 109.5 . . ?
C60 C99 C52 118.1(10) . . ?
C60 C99 H99 121.0 . . ?
C52 C99 H99 121.0 . . ?
C07P C26 C065 120.2(11) . . ?
C07P C26 H26 119.9 . . ?
C065 C26 H26 119.9 . . ?
F1 B8 F8 111.8(12) . . ?
F1 B8 F13 109.8(12) . . ?
F8 B8 F13 109.4(12) . . ?
F1 B8 F31 107.3(12) . . ?
F8 B8 F31 108.7(12) . . ?
F13 B8 F31 109.8(12) . . ?
Cl19 C10 Cl12 101(2) . . ?
Cl19 C10 Cl11 102(2) . . ?
Cl12 C10 Cl11 102(2) . . ?
Cl19 C10 H10A 117(2) . . ?
Cl12 C10 H10A 117(2) . . ?
Cl11 C10 H10A 117(2) . . ?
C85 C66 C098 120.2(11) . . ?
C85 C66 H66 119.9 . . ?
C098 C66 H66 119.9 . . ?
C66 C85 C55 120.3(11) . . ?
C66 C85 H85 119.9 . . ?
C55 C85 H85 119.9 . . ?
C85 C55 C08T 119.7(10) . . ?
C85 C55 H55 120.1 . . ?
C08T C55 H55 120.1 . . ?
Cl6 C3 Cl10 107(3) . . ?
Cl6 C3 Cl8 107(3) . . ?
Cl10 C3 Cl8 111(3) . . ?
Cl6 C3 H3A 110.3 . . ?
Cl10 C3 H3A 110.3 . . ?
Cl8 C3 H3A 110.3 . . ?
Cl17 C16 Cl16 100.1(18) . . ?
Cl17 C16 Cl14 98.3(18) . . ?
Cl16 C16 Cl14 99.4(19) . . ?
Cl17 C16 H16A 118.4 . . ?
Cl16 C16 H16A 118.4 . . ?
Cl14 C16 H16A 118.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C053 C1 P02T C08P -22(4) . . . . ?
C08K C1 P02T C08P 151(3) . . . . ?
C053 C1 P02T C21 87(3) . . . . ?
C08K C1 P02T C21 -100(3) . . . . ?
C053 C1 P02T Cu1M -155(2) . . . . ?
C08K C1 P02T Cu1M 18(4) . . . . ?
C08F P02O C31 C17 -171(3) . . . . ?
C50 P02O C31 C17 72(3) . . . . ?
Cu10 P02O C31 C17 -54(3) . . . . ?
C08F P02O C31 C88 12(3) . . . . ?
C50 P02O C31 C88 -105(3) . . . . ?
Cu10 P02O C31 C88 129(2) . . . . ?
Cu0U S1R C03D C25 105.4(13) . . . . ?
Cu07 S1R C03D C25 26.4(16) . . . . ?
Cu0S S1R C03D C25 -161.3(11) . . . . ?
Cu1F S1R C03D C25 -59.3(15) . . . . ?
Cu0U S1R C03D C0A0 -15.8(16) . . . . ?
Cu07 S1R C03D C0A0 -94.8(15) . . . . ?
Cu0S S1R C03D C0A0 77.6(15) . . . . ?
Cu1F S1R C03D C0A0 179.5(12) . . . . ?
Cu0U S1R C03D C07O -137.2(12) . . . . ?
Cu07 S1R C03D C07O 143.8(12) . . . . ?
Cu0S S1R C03D C07O -43.8(16) . . . . ?
Cu1F S1R C03D C07O 58.2(16) . . . . ?
Cu0A S2M C03E C07Y -30(2) . . . . ?
Cu1L S2M C03E C07Y 154.5(14) . . . . ?
Cu1D S2M C03E C07Y -102.9(16) . . . . ?
Cu1G S2M C03E C07Y 49.0(19) . . . . ?
Cu0A S2M C03E C04J -146.8(14) . . . . ?
Cu1L S2M C03E C04J 37(2) . . . . ?
Cu1D S2M C03E C04J 139.8(15) . . . . ?
Cu1G S2M C03E C04J -68.3(18) . . . . ?
Cu0A S2M C03E C0A9 92.3(18) . . . . ?
Cu1L S2M C03E C0A9 -84(2) . . . . ?
Cu1D S2M C03E C0A9 19.0(19) . . . . ?
Cu1G S2M C03E C0A9 170.9(15) . . . . ?
Cu0Y S1Y C03G C03X -174(3) . . . . ?
Cu0P S1Y C03G C03X 109(3) . . . . ?
Cu12 S1Y C03G C03X 34(4) . . . . ?
Cu0Y S1Y C03G C03R -44(3) . . . . ?
Cu0P S1Y C03G C03R -121(2) . . . . ?
Cu12 S1Y C03G C03R 164(2) . . . . ?
Cu0Y S1Y C03G C04F 63(3) . . . . ?
Cu0P S1Y C03G C04F -14(3) . . . . ?
Cu12 S1Y C03G C04F -89(3) . . . . ?
Cu0K S2D C03K C07Q 98.9(14) . . . . ?
Cu1J S2D C03K C07Q 20.8(18) . . . . ?
Cu14 S2D C03K C07Q 171.7(12) . . . . ?
Cu1M S2D C03K C07Q -91.1(16) . . . . ?
Cu0K S2D C03K C06T -143.1(14) . . . . ?
Cu1J S2D C03K C06T 138.7(14) . . . . ?
Cu14 S2D C03K C06T -70.3(17) . . . . ?
Cu1M S2D C03K C06T 27(2) . . . . ?
Cu0K S2D C03K C04V -19.7(19) . . . . ?
Cu1J S2D C03K C04V -97.9(16) . . . . ?
Cu14 S2D C03K C04V 53.0(17) . . . . ?
Cu1M S2D C03K C04V 150.2(14) . . . . ?
C04C C03H C03O C054 3(2) . . . . ?
C04C C03H C03O P29 176(2) . . . . ?
C043 P2F C03P C05V -32(3) . . . . ?
C04N P2F C03P C05V 77(3) . . . . ?
Cu16 P2F C03P C05V -156(2) . . . . ?
C043 P2F C03P C04I 144.0(18) . . . . ?
C04N P2F C03P C04I -106.6(18) . . . . ?
Cu16 P2F C03P C04I 20(2) . . . . ?
C04S C03A C03S C06D 0(4) . . . . ?
P29 C03A C03S C06D -179(3) . . . . ?
C044 P2H C03Z C05R 108(3) . . . . ?
C056 P2H C03Z C05R -145(3) . . . . ?
Cu19 P2H C03Z C05R -18(3) . . . . ?
C044 P2H C03Z C034 -74(3) . . . . ?
C056 P2H C03Z C034 32(3) . . . . ?
Cu19 P2H C03Z C034 159(2) . . . . ?
C03O C03H C04C C05D 2(2) . . . . ?
C04H P2L C04D C04W -99(2) . . . . ?
C047 P2L C04D C04W 150(2) . . . . ?
Cu0S P2L C04D C04W 27(2) . . . . ?
C04H P2L C04D C06G 80(3) . . . . ?
C047 P2L C04D C06G -31(3) . . . . ?
Cu0S P2L C04D C06G -154(3) . . . . ?
C04D P2L C04H C08T 136(3) . . . . ?
C047 P2L C04H C08T -116(3) . . . . ?
Cu0S P2L C04H C08T 7(3) . . . . ?
C04D P2L C04H C098 -45(3) . . . . ?
C047 P2L C04H C098 63(2) . . . . ?
Cu0S P2L C04H C098 -173.4(17) . . . . ?
C05V C03P C04I C069 -2(2) . . . . ?
P2F C03P C04I C069 -179(2) . . . . ?
C043 P2F C04N C06F -110(3) . . . . ?
C03P P2F C04N C06F 142(2) . . . . ?
Cu16 P2F C04N C06F 14(3) . . . . ?
C043 P2F C04N C05A 74(2) . . . . ?
C03P P2F C04N C05A -34(2) . . . . ?
Cu16 P2F C04N C05A -161.9(15) . . . . ?
C05C C03F C04O C05H 2(5) . . . . ?
Cu0T S1U C04Q C05G -165.6(12) . . . . ?
Cu0X S1U C04Q C05G 43.3(15) . . . . ?
Cu0F S1U C04Q C05G 119.3(13) . . . . ?
Cu0T S1U C04Q C068 73.0(14) . . . . ?
Cu0X S1U C04Q C068 -78.0(14) . . . . ?
Cu0F S1U C04Q C068 -2.1(16) . . . . ?
Cu0T S1U C04Q C05Q -46.4(15) . . . . ?
Cu0X S1U C04Q C05Q 162.6(12) . . . . ?
Cu0F S1U C04Q C05Q -121.5(13) . . . . ?
C03S C03A C04S C06V 1(2) . . . . ?
P29 C03A C04S C06V 180(2) . . . . ?
C06G C04D C04W C08E -3(2) . . . . ?
P2L C04D C04W C08E 176(2) . . . . ?
C031 C04E C04X C086 7(4) . . . . ?
C047 C04R C5 C11 -4(5) . . . . ?
C04O C03F C05C C064 -1(4) . . . . ?
C054 C05B C05D C04C -1(5) . . . . ?
C03H C04C C05D C05B -3(4) . . . . ?
C05R C05F C04B C02Z -9(6) . . . . ?
C05F C04B C02Z C034 7(6) . . . . ?
C03F C04O C05H C03J -1(5) . . . . ?
C064 C03J C05H C04O 0(4) . . . . ?
P29 C03J C05H C04O 179(2) . . . . ?
C044 C04A C05I C05N -3(7) . . . . ?
C04A C05I C05N C06W -2(7) . . . . ?
C034 C03Z C05R C05F 1(5) . . . . ?
P2H C03Z C05R C05F 179(2) . . . . ?
C04B C05F C05R C03Z 4(5) . . . . ?
C057 C04Y C05U C055 0(5) . . . . ?
C04I C03P C05V C058 5(4) . . . . ?
P2F C03P C05V C058 -178(2) . . . . ?
C043 C03W C05W C080 11(6) . . . . ?
C057 C03Y C05Z C055 1(2) . . . . ?
C03A C03S C06D C06U -2(5) . . . . ?
C05A C04N C06F C08M -5(4) . . . . ?
P2F C04N C06F C08M 179(3) . . . . ?
C04W C04D C06G C062 5(5) . . . . ?
P2L C04D C06G C062 -174(3) . . . . ?
Cu17 S1W C06N C0AH 14.3(16) . . . . ?
Cu0Z S1W C06N C0AH -84.7(15) . . . . ?
Cu08 S1W C06N C0AH 91.3(14) . . . . ?
Cu1I S1W C06N C0AH 172.0(12) . . . . ?
Cu17 S1W C06N C08L 137.1(12) . . . . ?
Cu0Z S1W C06N C08L 38.1(16) . . . . ?
Cu08 S1W C06N C08L -145.8(12) . . . . ?
Cu1I S1W C06N C08L -65.2(15) . . . . ?
Cu17 S1W C06N C088 -104.7(13) . . . . ?
Cu0Z S1W C06N C088 156.3(12) . . . . ?
Cu08 S1W C06N C088 -27.6(15) . . . . ?
Cu1I S1W C06N C088 53.0(14) . . . . ?
C03S C06D C06U C06V 2(5) . . . . ?
C06D C06U C06V C04S -1(4) . . . . ?
C03A C04S C06V C06U 0(2) . . . . ?
C05I C05N C06W C05E 6(8) . . . . ?
C044 C05E C06W C05N -6(8) . . . . ?
C73 C7 C07M C29 -25(6) . . . . ?
C063 C05P C07N C049 -1(6) . . . . ?
C08Y C05O C07U C14 10(7) . . . . ?
C08W C07W C07Z C08I -2(7) . . . . ?
C73 C2 C8 C29 7(2) . . . . ?
C04D C04W C08E C07I -3(2) . . . . ?
C062 C07I C08E C04W 8(5) . . . . ?
C31 P02O C08F C08I 128(3) . . . . ?
C50 P02O C08F C08I -115(4) . . . . ?
Cu10 P02O C08F C08I 11(4) . . . . ?
C31 P02O C08F C08V -52(3) . . . . ?
C50 P02O C08F C08V 65(4) . . . . ?
Cu10 P02O C08F C08V -169(3) . . . . ?
C08V C08F C08I C07Z -13(5) . . . . ?
P02O C08F C08I C07Z 166(4) . . . . ?
C07W C07Z C08I C08F 12(7) . . . . ?
C067 C04G C08K C1 1(6) . . . . ?
C053 C1 C08K C04G 1(5) . . . . ?
P02T C1 C08K C04G -172(4) . . . . ?
C04N C06F C08M C13 4(5) . . . . ?
Cu0N S2K C08O C30 12.6(16) . . . . ?
Cu18 S2K C08O C30 -63.5(14) . . . . ?
Cu1M S2K C08O C30 -162.6(13) . . . . ?
Cu1J S2K C08O C30 90.4(14) . . . . ?
Cu0N S2K C08O C06S 130.8(13) . . . . ?
Cu18 S2K C08O C06S 54.6(14) . . . . ?
Cu1M S2K C08O C06S -44.5(17) . . . . ?
Cu1J S2K C08O C06S -151.5(12) . . . . ?
Cu0N S2K C08O C081 -107.8(14) . . . . ?
Cu18 S2K C08O C081 176.0(12) . . . . ?
Cu1M S2K C08O C081 76.9(16) . . . . ?
Cu1J S2K C08O C081 -30.1(17) . . . . ?
C1 P02T C08P C52 -72(3) . . . . ?
C21 P02T C08P C52 -176(3) . . . . ?
Cu1M P02T C08P C52 63(3) . . . . ?
C1 P02T C08P C87 117(3) . . . . ?
C21 P02T C08P C87 12(3) . . . . ?
Cu1M P02T C08P C87 -109(2) . . . . ?
C098 C04H C08T C55 2(5) . . . . ?
P2L C04H C08T C55 -179(3) . . . . ?
C08I C08F C08V C08W 6(3) . . . . ?
P02O C08F C08V C08W -173(4) . . . . ?
C08F C08V C08W C07W 3(3) . . . . ?
C07Z C07W C08W C08V -5(5) . . . . ?
C07U C05O C08Y C056 -6(6) . . . . ?
Cu09 S1Z C09E C038 -10.6(16) . . . . ?
Cu14 S1Z C09E C038 -89.2(13) . . . . ?
Cu1M S1Z C09E C038 164.0(11) . . . . ?
Cu18 S1Z C09E C038 65.7(14) . . . . ?
Cu09 S1Z C09E C07D 109.0(14) . . . . ?
Cu14 S1Z C09E C07D 30.4(15) . . . . ?
Cu1M S1Z C09E C07D -76.4(15) . . . . ?
Cu18 S1Z C09E C07D -174.7(12) . . . . ?
Cu09 S1Z C09E C09M -130.1(12) . . . . ?
Cu14 S1Z C09E C09M 151.3(12) . . . . ?
Cu1M S1Z C09E C09M 44.6(16) . . . . ?
Cu18 S1Z C09E C09M -53.8(15) . . . . ?
Cu0M S2J C09W C07J 107.4(13) . . . . ?
Cu1C S2J C09W C07J 32.8(15) . . . . ?
Cu1D S2J C09W C07J -178.1(12) . . . . ?
Cu1L S2J C09W C07J -76.1(15) . . . . ?
Cu0M S2J C09W C08Z -131.9(13) . . . . ?
Cu1C S2J C09W C08Z 153.4(13) . . . . ?
Cu1D S2J C09W C08Z -57.5(14) . . . . ?
Cu1L S2J C09W C08Z 44.5(16) . . . . ?
Cu0M S2J C09W C33 -13.4(15) . . . . ?
Cu1C S2J C09W C33 -88.1(14) . . . . ?
Cu1D S2J C09W C33 61.1(14) . . . . ?
Cu1L S2J C09W C33 163.0(13) . . . . ?
C06F C04N C05A C6 2(2) . . . . ?
P2F C04N C05A C6 178(2) . . . . ?
C04N C05A C6 C13 1(2) . . . . ?
C06F C08M C13 C6 -1(5) . . . . ?
C05A C6 C13 C08M -1(4) . . . . ?
C05O C07U C14 C22 -13(6) . . . . ?
Cu04 S1V C15 C28 171.0(13) . . . . ?
Cu0Y S1V C15 C28 -110.6(15) . . . . ?
Cu15 S1V C15 C28 -14.9(18) . . . . ?
Cu1E S1V C15 C28 91.7(15) . . . . ?
Cu04 S1V C15 C04Z -68.4(17) . . . . ?
Cu0Y S1V C15 C04Z 9.9(18) . . . . ?
Cu15 S1V C15 C04Z 105.6(16) . . . . ?
Cu1E S1V C15 C04Z -147.7(14) . . . . ?
Cu04 S1V C15 C12 51.7(17) . . . . ?
Cu0Y S1V C15 C12 130.1(15) . . . . ?
Cu15 S1V C15 C12 -134.2(15) . . . . ?
Cu1E S1V C15 C12 -27.6(18) . . . . ?
C88 C31 C17 C18 2(5) . . . . ?
P02O C31 C17 C18 -176(3) . . . . ?
C31 C17 C18 C19 7(6) . . . . ?
C17 C18 C19 C89 -14(6) . . . . ?
C07U C14 C22 C056 17(6) . . . . ?
C2 C8 C29 C07M -21(5) . . . . ?
C7 C07M C29 C8 30(6) . . . . ?
C41 C08S C24 C38 -15(5) . . . . ?
C05T C03I S24 Cu0W 18.6(16) . . . . ?
C06L C03I S24 Cu0W 137.8(12) . . . . ?
C07G C03I S24 Cu0W -103.8(14) . . . . ?
C05T C03I S24 Cu0S -75.7(15) . . . . ?
C06L C03I S24 Cu0S 43.5(15) . . . . ?
C07G C03I S24 Cu0S 161.9(12) . . . . ?
C05T C03I S24 Cu02 96.0(14) . . . . ?
C06L C03I S24 Cu02 -144.7(12) . . . . ?
C07G C03I S24 Cu02 -26.3(16) . . . . ?
C05T C03I S24 Cu1F 179.5(12) . . . . ?
C06L C03I S24 Cu1F -61.2(15) . . . . ?
C07G C03I S24 Cu1F 57.2(16) . . . . ?
C03N C06M S25 Cu12 -111.4(13) . . . . ?
C090 C06M S25 Cu12 10.1(15) . . . . ?
C072 C06M S25 Cu12 129.9(12) . . . . ?
C03N C06M S25 Cu10 147.6(12) . . . . ?
C090 C06M S25 Cu10 -90.9(14) . . . . ?
C072 C06M S25 Cu10 28.9(16) . . . . ?
C03N C06M S25 Cu0E -35.1(15) . . . . ?
C090 C06M S25 Cu0E 86.4(13) . . . . ?
C072 C06M S25 Cu0E -153.8(11) . . . . ?
C03N C06M S25 Cu1H 47.9(15) . . . . ?
C090 C06M S25 Cu1H 169.3(11) . . . . ?
C072 C06M S25 Cu1H -70.9(14) . . . . ?
C0AE C07H S26 Cu0T 85.3(15) . . . . ?
C45 C07H S26 Cu0T -156.4(13) . . . . ?
C095 C07H S26 Cu0T -36.0(17) . . . . ?
C0AE C07H S26 Cu0D 8.5(18) . . . . ?
C45 C07H S26 Cu0D 126.7(13) . . . . ?
C095 C07H S26 Cu0D -112.9(15) . . . . ?
C0AE C07H S26 Cu19 176.9(12) . . . . ?
C45 C07H S26 Cu19 -64.9(16) . . . . ?
C095 C07H S26 Cu19 55.5(18) . . . . ?
C0AE C07H S26 Cu1K -78.7(16) . . . . ?
C45 C07H S26 Cu1K 39.5(18) . . . . ?
C095 C07H S26 Cu1K 160.0(13) . . . . ?
C076 C04P S27 Cu17 47.4(13) . . . . ?
C089 C04P S27 Cu17 -73.4(14) . . . . ?
C07F C04P S27 Cu17 165.1(11) . . . . ?
C076 C04P S27 Cu1A -161.6(11) . . . . ?
C089 C04P S27 Cu1A 77.5(14) . . . . ?
C07F C04P S27 Cu1A -43.9(13) . . . . ?
C076 C04P S27 Cu0I 123.0(12) . . . . ?
C089 C04P S27 Cu0I 2.2(15) . . . . ?
C07F C04P S27 Cu0I -119.3(12) . . . . ?
Cu0X S1Q C27 C06H -94.8(17) . . . . ?
Cu05 S1Q C27 C06H -16.6(19) . . . . ?
Cu1E S1Q C27 C06H 63.1(17) . . . . ?
Cu15 S1Q C27 C06H 164.6(14) . . . . ?
Cu0X S1Q C27 C06E 24.6(17) . . . . ?
Cu05 S1Q C27 C06E 102.9(15) . . . . ?
Cu1E S1Q C27 C06E -177.5(13) . . . . ?
Cu15 S1Q C27 C06E -75.9(16) . . . . ?
Cu0X S1Q C27 C077 141.5(14) . . . . ?
Cu05 S1Q C27 C077 -140.2(13) . . . . ?
Cu1E S1Q C27 C077 -60.6(16) . . . . ?
Cu15 S1Q C27 C077 41.0(18) . . . . ?
C04S C03A P29 C03J 64(2) . . . . ?
C03S C03A P29 C03J -117(3) . . . . ?
C04S C03A P29 C03O 176.1(18) . . . . ?
C03S C03A P29 C03O -5(3) . . . . ?
C04S C03A P29 Cu0Z -59.1(19) . . . . ?
C03S C03A P29 Cu0Z 120(2) . . . . ?
C064 C03J P29 C03A -144.3(18) . . . . ?
C05H C03J P29 C03A 37(3) . . . . ?
C064 C03J P29 C03O 104.1(19) . . . . ?
C05H C03J P29 C03O -75(2) . . . . ?
C064 C03J P29 Cu0Z -22(2) . . . . ?
C05H C03J P29 Cu0Z 159.2(19) . . . . ?
C03H C03O P29 C03A -87(2) . . . . ?
C054 C03O P29 C03A 85(3) . . . . ?
C03H C03O P29 C03J 22(2) . . . . ?
C054 C03O P29 C03J -165(2) . . . . ?
C03H C03O P29 Cu0Z 148.6(17) . . . . ?
C054 C03O P29 Cu0Z -39(3) . . . . ?
C04X C04E C031 C037 -3(2) . . . . ?
C06X C06J C032 C040 -3(5) . . . . ?
C06X C06J C032 P2G -180(3) . . . . ?
C037 P2G C032 C06J -83(3) . . . . ?
C055 P2G C032 C06J 169(3) . . . . ?
Cu15 P2G C032 C06J 43(3) . . . . ?
C037 P2G C032 C040 100(2) . . . . ?
C055 P2G C032 C040 -8(2) . . . . ?
Cu15 P2G C032 C040 -134.2(18) . . . . ?
Cu0W S1X C033 C039 -75.0(13) . . . . ?
Cu0V S1X C033 C039 75.8(13) . . . . ?
Cu0B S1X C033 C039 0.4(15) . . . . ?
Cu0W S1X C033 C036 46.8(13) . . . . ?
Cu0V S1X C033 C036 -162.4(11) . . . . ?
Cu0B S1X C033 C036 122.2(12) . . . . ?
Cu0W S1X C033 C03L 164.7(10) . . . . ?
Cu0V S1X C033 C03L -44.6(13) . . . . ?
Cu0B S1X C033 C03L -119.9(11) . . . . ?
C05R C03Z C034 C02Z -2(6) . . . . ?
P2H C03Z C034 C02Z -180(3) . . . . ?
C04B C02Z C034 C03Z -2(5) . . . . ?
C21 C09Z C36 C07P -4(3) . . . . ?
C26 C07P C36 C09Z 10(6) . . . . ?
C04E C031 C037 C071 -2(2) . . . . ?
C04E C031 C037 P2G -177(2) . . . . ?
C055 P2G C037 C071 116(3) . . . . ?
C032 P2G C037 C071 7(3) . . . . ?
Cu15 P2G C037 C071 -118(3) . . . . ?
C055 P2G C037 C031 -70(2) . . . . ?
C032 P2G C037 C031 -178.3(19) . . . . ?
Cu15 P2G C037 C031 56(2) . . . . ?
C08S C24 C38 C43 13(6) . . . . ?
C06J C032 C040 C073 1(2) . . . . ?
P2G C032 C040 C073 177(2) . . . . ?
C50 C9 C40 C65 0(3) . . . . ?
C24 C08S C41 C05K 6(2) . . . . ?
C43 C05K C41 C08S 5(2) . . . . ?
P02R C05K C41 C08S -171(3) . . . . ?
C05W C03W C043 C04L -12(6) . . . . ?
C05W C03W C043 P2F 177(3) . . . . ?
C066 C04L C043 C03W -3(6) . . . . ?
C066 C04L C043 P2F 168(3) . . . . ?
C03P P2F C043 C03W -67(3) . . . . ?
C04N P2F C043 C03W -176(3) . . . . ?
Cu16 P2F C043 C03W 59(3) . . . . ?
C03P P2F C043 C04L 122(3) . . . . ?
C04N P2F C043 C04L 13(4) . . . . ?
Cu16 P2F C043 C04L -112(3) . . . . ?
C24 C38 C43 C05K -2(6) . . . . ?
C41 C05K C43 C38 -8(5) . . . . ?
P02R C05K C43 C38 169(3) . . . . ?
C06W C05E C044 C04A 2(7) . . . . ?
C06W C05E C044 P2H -179(4) . . . . ?
C05I C04A C044 C05E 2(7) . . . . ?
C05I C04A C044 P2H -177(3) . . . . ?
C056 P2H C044 C05E -88(4) . . . . ?
C03Z P2H C044 C05E 18(5) . . . . ?
Cu19 P2H C044 C05E 147(4) . . . . ?
C056 P2H C044 C04A 91(4) . . . . ?
C03Z P2H C044 C04A -163(3) . . . . ?
Cu19 P2H C044 C04A -34(4) . . . . ?
Cu1A S2A C046 C09B -54.5(15) . . . . ?
Cu16 S2A C046 C09B 40.9(16) . . . . ?
Cu0O S2A C046 C09B -133.8(13) . . . . ?
Cu1B S2A C046 C09B 145.0(13) . . . . ?
Cu1A S2A C046 C05Y 65.5(15) . . . . ?
Cu16 S2A C046 C05Y 161.0(13) . . . . ?
Cu0O S2A C046 C05Y -13.7(17) . . . . ?
Cu1B S2A C046 C05Y -94.9(15) . . . . ?
Cu1A S2A C046 C08G -174.4(13) . . . . ?
Cu16 S2A C046 C08G -78.9(15) . . . . ?
Cu0O S2A C046 C08G 106.4(15) . . . . ?
Cu1B S2A C046 C08G 25.2(17) . . . . ?
C5 C04R C047 C061 3(4) . . . . ?
C5 C04R C047 P2L -172(2) . . . . ?
C04D P2L C047 C061 122(2) . . . . ?
C04H P2L C047 C061 11(2) . . . . ?
Cu0S P2L C047 C061 -111.9(17) . . . . ?
C04D P2L C047 C04R -63(3) . . . . ?
C04H P2L C047 C04R -173(2) . . . . ?
Cu0S P2L C047 C04R 63(2) . . . . ?
C05P C07N C049 C093 0(5) . . . . ?
C05P C07N C049 P02R -175(3) . . . . ?
C05K P02R C049 C07N 69(3) . . . . ?
C73 P02R C049 C07N -43(4) . . . . ?
Cu1L P02R C049 C07N -169(3) . . . . ?
C05K P02R C049 C093 -106(2) . . . . ?
C73 P02R C049 C093 141(2) . . . . ?
Cu1L P02R C049 C093 15(3) . . . . ?
C40 C9 C50 C32 -2(3) . . . . ?
C40 C9 C50 P02O 180(4) . . . . ?
C95 C32 C50 C9 5(6) . . . . ?
C95 C32 C50 P02O -177(4) . . . . ?
C31 P02O C50 C9 64(4) . . . . ?
C08F P02O C50 C9 -44(4) . . . . ?
Cu10 P02O C50 C9 -170(3) . . . . ?
C31 P02O C50 C32 -115(4) . . . . ?
C08F P02O C50 C32 137(4) . . . . ?
Cu10 P02O C50 C32 12(4) . . . . ?
C87 C08P C52 C99 -1(2) . . . . ?
P02T C08P C52 C99 -172(3) . . . . ?
C08K C1 C053 C06R -1(2) . . . . ?
P02T C1 C053 C06R 172(3) . . . . ?
C067 C06R C053 C1 -2(2) . . . . ?
C05D C05B C054 C03O 6(5) . . . . ?
C03H C03O C054 C05B -8(4) . . . . ?
P29 C03O C054 C05B 179(3) . . . . ?
C04Y C05U C055 C05Z -1(4) . . . . ?
C04Y C05U C055 P2G -180(3) . . . . ?
C03Y C05Z C055 C05U 0(2) . . . . ?
C03Y C05Z C055 P2G 179(2) . . . . ?
C037 P2G C055 C05U 154(3) . . . . ?
C032 P2G C055 C05U -100(3) . . . . ?
Cu15 P2G C055 C05U 27(3) . . . . ?
C037 P2G C055 C05Z -25(2) . . . . ?
C032 P2G C055 C05Z 81(2) . . . . ?
Cu15 P2G C055 C05Z -152.2(15) . . . . ?
C05O C08Y C056 C22 9(5) . . . . ?
C05O C08Y C056 P2H -174(3) . . . . ?
C14 C22 C056 C08Y -17(7) . . . . ?
C14 C22 C056 P2H 166(4) . . . . ?
C044 P2H C056 C08Y 13(4) . . . . ?
C03Z P2H C056 C08Y -93(4) . . . . ?
Cu19 P2H C056 C08Y 138(3) . . . . ?
C044 P2H C056 C22 -170(3) . . . . ?
C03Z P2H C056 C22 84(3) . . . . ?
Cu19 P2H C056 C22 -45(3) . . . . ?
C05Z C03Y C057 C04Y -2(4) . . . . ?
C05U C04Y C057 C03Y 2(5) . . . . ?
C03P C05V C058 C06P -5(5) . . . . ?
C069 C06P C058 C05V 1(5) . . . . ?
C87 C20 C60 C99 2(6) . . . . ?
C36 C09Z C21 C065 -3(3) . . . . ?
C36 C09Z C21 P02T -179(3) . . . . ?
C04R C047 C061 C011 -1(2) . . . . ?
P2L C047 C061 C011 174(2) . . . . ?
C047 C061 C011 C11 -1(2) . . . . ?
C04R C5 C11 C011 2(5) . . . . ?
C061 C011 C11 C5 0(4) . . . . ?
C08E C07I C062 C06G -6(6) . . . . ?
C04D C06G C062 C07I -1(6) . . . . ?
C07N C05P C063 C087 1(6) . . . . ?
C05H C03J C064 C05C 0(2) . . . . ?
P29 C03J C064 C05C -179(2) . . . . ?
C03F C05C C064 C03J 0(2) . . . . ?
C09Z C21 C065 C26 5(6) . . . . ?
P02T C21 C065 C26 -179(4) . . . . ?
C9 C40 C65 C95 -1(6) . . . . ?
C043 C04L C066 C080 17(6) . . . . ?
C053 C06R C067 C04G 4(5) . . . . ?
C08K C04G C067 C06R -3(6) . . . . ?
C058 C06P C069 C04I 3(4) . . . . ?
C03P C04I C069 C06P -2(2) . . . . ?
C031 C037 C071 C086 3(4) . . . . ?
P2G C037 C071 C086 177(3) . . . . ?
C07M C7 C73 C2 11(5) . . . . ?
C07M C7 C73 P02R -169(3) . . . . ?
C8 C2 C73 C7 -2(3) . . . . ?
C8 C2 C73 P02R 177(4) . . . . ?
C032 C06J C06X C07X 6(6) . . . . ?
C06J C06X C07X C073 -8(6) . . . . ?
C06X C07X C073 C040 6(5) . . . . ?
C032 C040 C073 C07X -2(2) . . . . ?
C03W C05W C080 C066 4(6) . . . . ?
C04L C066 C080 C05W -18(6) . . . . ?
C04E C04X C086 C071 -6(5) . . . . ?
C037 C071 C086 C04X 1(5) . . . . ?
C60 C20 C87 C08P -4(5) . . . . ?
C52 C08P C87 C20 4(4) . . . . ?
P02T C08P C87 C20 175(3) . . . . ?
C05P C063 C087 C093 -1(5) . . . . ?
C17 C31 C88 C89 -2(2) . . . . ?
P02O C31 C88 C89 175(3) . . . . ?
C18 C19 C89 C88 14(4) . . . . ?
C31 C88 C89 C19 -5(2) . . . . ?
C063 C087 C093 C049 0(3) . . . . ?
C07N C049 C093 C087 0(3) . . . . ?
P02R C049 C093 C087 176(3) . . . . ?
C50 C32 C95 C65 -6(8) . . . . ?
C40 C65 C95 C32 4(8) . . . . ?
C08T C04H C098 C66 -1(2) . . . . ?
P2L C04H C098 C66 180(3) . . . . ?
C20 C60 C99 C52 1(4) . . . . ?
C08P C52 C99 C60 -1(2) . . . . ?
C36 C07P C26 C065 -8(7) . . . . ?
C21 C065 C26 C07P 0(7) . . . . ?
C04H C098 C66 C85 0(2) . . . . ?
C098 C66 C85 C55 0(5) . . . . ?
C66 C85 C55 C08T 1(6) . . . . ?
C04H C08T C55 C85 -2(6) . . . . ?

_refine_diff_density_max         1.779
_refine_diff_density_min         -1.881
_refine_diff_density_rms         0.214
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.476 0.500 -0.246 3002.9 1674.0 '28 CHCl3'


# start Validation Reply Form
_vrf_RINTA01_CuTBT_new_a         
;
PROBLEM: The value of Rint is greater than 0.25
Rint given 0.429
RESPONSE: The absorption corrections may be inadequate or inappropriate.
Hence performing single crystal diffraction experiments on these crystals 
was extremely challenging and hence this results in the collection of 
weak reflections of reduced accuracy. As a result a large proportion of 
essentially "unobserved" reflections might be used in the refinement.
;
_vrf_PLAT020_CuTBT_new_a         
;
PROBLEM: The Value of Rint is Greater Than 0.12 ......... 0.429 Report
RESPONSE: The absorption corrections may be inadequate or inappropriate.
Hence performing single crystal diffraction experiments on these crystals 
was extremely challenging and hence this results in the collection of 
weak reflections of reduced accuracy. As a result a large proportion of 
essentially "unobserved" reflections might be used in the refinement.
;
_vrf_PLAT026_CuTBT_new_a         
;
PROBLEM: Ratio Observed / Unique Reflections (too) Low .. 23% Check
RESPONSE: Huge absorption from large number of Cu atoms and highly 
diffuse electron density.
;
_vrf_PLAT410_CuTBT_new_a         
;
PROBLEM: Short Intra H...H Contact H17 ..H88 . 1.78 Ang.
x,y,z = 1_555 Check
RESPONSE: Huge absorption from large number of Cu atoms and highly 
diffuse electron density. Also, the presence of high disorders.
;
_vrf_THETM01_CuTBT_new_a         
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.575
Calculated sin(theta_max)/wavelength = 0.5723
RESPONSE: Huge absorption from large number of Cu atoms and highly 
diffuse electron density. Also, the presence of high disorders.
;
_vrf_PLAT084_CuTBT_new_a         
;
PROBLEM: High wR2 Value (i.e. > 0.25) ................... 0.44 Report
RESPONSE: The absorption corrections may be inadequate or inappropriate.
Hence performing single crystal diffraction experiments on these crystals 
was extremely challenging and hence this results in the collection of 
weak reflections of reduced accuracy. As a result a large proportion of 
essentially "unobserved" reflections might be used in the refinement.Also 
huge absorption from large number of Cu atoms and highly diffuse electron 
density.
;
_vrf_PLAT213_CuTBT_new_a         
;
PROBLEM: Atom C03X has ADP max/min Ratio ..... 4.1 oblate
RESPONSE: This could be the consequence of anisotropic absorption 
from heavy elements. Huge absorption from large number of Cu atoms 
and highly diffuse electron density. Also, the presence of high 
disorders.
;
_vrf_PLAT241_CuTBT_new_a         
;
PROBLEM: High 'MainMol' Ueq as Compared to Neighbors of Cl2 Check
RESPONSE: Huge absorption from large number of Cu atoms and highly 
diffuse electron density. Also, the presence of high disorders.
;
_vrf_PLAT260_CuTBT_new_a         
;
PROBLEM: Large Average Ueq of Residue Including F1 0.320 Check
RESPONSE: Huge absorption from large number of Cu atoms and highly 
diffuse electron density. Also, the presence of high disorders.
;
_vrf_PLAT341_CuTBT_new_a         
;
PROBLEM: Low Bond Precision on C-C Bonds ............... 0.04949 Ang.
RESPONSE: No chemically sensible atom at this position. This could be the 
consequence of anisotropic absorption from heavy elements. Also, the 
presence of high disorders.
;
_vrf_PLAT360_CuTBT_new_a         
;
PROBLEM: Short C(sp3)-C(sp3) Bond C12 - C15 . 1.32 Ang.
RESPONSE: No chemically sensible atom at this position. This could be the 
consequence of anisotropic absorption from heavy elements. Also, the 
presence of high disorders.
;
_vrf_PLAT412_CuTBT_new_a         
;
PROBLEM: Short Intra XH3 .. XHn H06O ..H07N . 1.75 Ang.
x,y,z = 1_555 Check
RESPONSE: Huge absorption from large number of Cu atoms and highly 
diffuse electron density. Hence performing single crystal diffraction 
experiments on these crystals was extremely challenging. Also, the 
presence of high disorders.
;
# end Validation Reply Form
