#------------------------------------------------------------------------------
#$Date: 2018-08-12 01:41:15 +0300 (Sun, 12 Aug 2018) $
#$Revision: 209594 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/06/7030691.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7030691
loop_
_publ_author_name
'Yang, Lei'
'Wang, Zhaodong'
'Powell, Douglas R.'
'Houser, Robert P.'
_publ_section_title
;
 A [Cu16S10]4− cluster containing μ3- and μ4-sulfido ligands
;
_journal_coden_ASTM              DTARAF
_journal_issue                   23
_journal_name_full               'Dalton Transactions'
_journal_page_first              4439
_journal_page_last               4441
_journal_paper_doi               10.1039/b905375a
_journal_year                    2009
_chemical_formula_moiety         '4Na, (Cu12 S8), 11(C3 H7 N O)'
_chemical_formula_sum            'C33 H77 Cu12 N11 Na4 O11 S8'
_chemical_formula_weight         1914.98
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.249(7)
_cell_angle_beta                 101.124(7)
_cell_angle_gamma                92.058(8)
_cell_formula_units_Z            4
_cell_length_a                   16.464(4)
_cell_length_b                   18.991(5)
_cell_length_c                   22.198(6)
_cell_measurement_reflns_used    8589
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.21
_cell_measurement_theta_min      2.24
_cell_volume                     6743(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2000)'
_computing_publication_material  'SHELXTL (Sheldrick, 2000)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2000)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2000)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD Bruker APEX'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0387
_diffrn_reflns_av_sigmaI/netI    0.0456
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            70512
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.61
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.027
_exptl_absorpt_correction_T_max  0.646
_exptl_absorpt_correction_T_min  0.236
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2007)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.886
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3840
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.791
_refine_diff_density_min         -0.623
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1423
_refine_ls_number_reflns         26386
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0451
_refine_ls_R_factor_gt           0.0303
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0320P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0698
_refine_ls_wR_factor_ref         0.0753
_reflns_number_gt                20329
_reflns_number_total             26386
_reflns_threshold_expression     I>2σ(I)
_cod_duplicate_entry             7001382
_cod_data_source_file            b905375a.txt
_cod_data_source_block           Na4[Cu12S8].11DMF
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_database_code               7030691
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cu1 Cu 0.22020(2) 0.30598(2) 1.411150(17) 0.02047(9) Uani 1 1 d .
Cu2 Cu 0.29730(2) 0.16913(2) 1.436224(17) 0.02191(9) Uani 1 1 d .
Cu3 Cu 0.16447(2) 0.12918(2) 1.483535(17) 0.02284(9) Uani 1 1 d .
Cu4 Cu 0.09036(2) 0.26715(2) 1.460868(17) 0.02068(9) Uani 1 1 d .
Cu5 Cu 0.38640(2) 0.303091(19) 1.482436(17) 0.01985(9) Uani 1 1 d .
Cu6 Cu 0.32382(2) 0.131206(19) 1.557275(18) 0.02223(9) Uani 1 1 d .
Cu7 Cu 0.11406(2) 0.22442(2) 1.579806(17) 0.02089(9) Uani 1 1 d .
Cu8 Cu 0.18045(2) 0.394991(19) 1.509465(17) 0.02017(9) Uani 1 1 d .
Cu9 Cu 0.34790(2) 0.392869(19) 1.580169(17) 0.02028(9) Uani 1 1 d .
Cu10 Cu 0.41048(2) 0.26201(2) 1.602047(17) 0.02188(9) Uani 1 1 d .
Cu11 Cu 0.27022(2) 0.226937(19) 1.655386(17) 0.02097(9) Uani 1 1 d .
Cu12 Cu 0.20075(2) 0.354729(19) 1.631103(17) 0.02084(9) Uani 1 1 d .
S1A S 0.32875(5) 0.25612(4) 1.38998(3) 0.02261(17) Uani 1 1 d .
S2A S 0.27108(5) 0.07017(4) 1.46835(4) 0.02761(19) Uani 1 1 d .
S3A S 0.04658(5) 0.17196(4) 1.49114(4) 0.02482(18) Uani 1 1 d .
S4A S 0.10854(5) 0.36073(4) 1.41696(4) 0.02304(17) Uani 1 1 d .
S5A S 0.46507(5) 0.35079(4) 1.56770(4) 0.02336(18) Uani 1 1 d .
S6A S 0.38371(5) 0.17484(4) 1.65051(4) 0.02615(18) Uani 1 1 d .
S7A S 0.15651(5) 0.26997(4) 1.67613(4) 0.02368(18) Uani 1 1 d .
S8A S 0.24237(5) 0.44961(4) 1.59849(4) 0.02236(17) Uani 1 1 d .
Cu13 Cu 0.82832(2) 0.38930(2) 1.078375(17) 0.02152(9) Uani 1 1 d .
Cu14 Cu 0.88194(2) 0.297956(19) 0.984930(17) 0.02040(9) Uani 1 1 d .
Cu15 Cu 0.71739(2) 0.28359(2) 0.910590(17) 0.02112(9) Uani 1 1 d .
Cu16 Cu 0.66395(2) 0.37431(2) 1.005496(17) 0.02158(9) Uani 1 1 d .
Cu17 Cu 0.90460(2) 0.26960(2) 1.110483(17) 0.02140(9) Uani 1 1 d .
Cu18 Cu 0.81325(2) 0.15783(2) 0.946981(17) 0.02052(9) Uani 1 1 d .
Cu19 Cu 0.59025(2) 0.23405(2) 0.957901(17) 0.02226(9) Uani 1 1 d .
Cu20 Cu 0.67912(2) 0.33866(2) 1.125823(17) 0.02203(9) Uani 1 1 d .
Cu21 Cu 0.76196(2) 0.22206(2) 1.158832(17) 0.02088(9) Uani 1 1 d .
Cu22 Cu 0.83635(2) 0.132720(19) 1.073684(17) 0.01992(9) Uani 1 1 d .
Cu23 Cu 0.68458(2) 0.107505(19) 0.990306(17) 0.02074(9) Uani 1 1 d .
Cu24 Cu 0.60829(2) 0.19490(2) 1.076177(17) 0.02234(9) Uani 1 1 d .
S1B S 0.95070(5) 0.35689(4) 1.06939(4) 0.02406(18) Uani 1 1 d .
S2B S 0.83245(5) 0.24204(4) 0.89360(3) 0.02173(17) Uani 1 1 d .
S3B S 0.59963(5) 0.32919(4) 0.91375(4) 0.02486(18) Uani 1 1 d .
S4B S 0.71550(5) 0.43621(4) 1.09406(4) 0.02456(18) Uani 1 1 d .
S5B S 0.88635(5) 0.18682(4) 1.16625(4) 0.02318(18) Uani 1 1 d .
S6B S 0.80317(5) 0.06107(4) 0.98732(4) 0.02272(17) Uani 1 1 d .
S7B S 0.55763(5) 0.13383(4) 0.98676(4) 0.02520(18) Uani 1 1 d .
S8B S 0.63876(5) 0.25126(4) 1.16990(4) 0.02421(18) Uani 1 1 d .
Na1 Na 0.38577(7) 0.22461(6) 1.28259(5) 0.0164(2) Uani 1 1 d .
Na2 Na 0.00808(7) 0.32677(6) 1.72048(5) 0.0190(3) Uani 1 1 d .
Na3 Na 0.89647(7) 0.22160(6) 0.78665(5) 0.0163(2) Uani 1 1 d .
Na4 Na 0.56001(7) 0.16459(6) 1.25873(5) 0.0203(3) Uani 1 1 d .
Na5 Na 0.50545(7) 0.32715(6) 1.21699(5) 0.0179(3) Uani 1 1 d .
Na6 Na 0.30309(7) 0.30338(6) 1.16617(5) 0.0190(3) Uani 1 1 d .
Na7 Na -0.19264(7) 0.29337(6) 1.66743(5) 0.0207(3) Uani 1 1 d .
Na8 Na 0.07630(7) 0.17634(6) 1.76486(5) 0.0219(3) Uani 1 1 d .
O1A O 0.52873(12) 0.27207(10) 1.31242(9) 0.0174(4) Uani 1 1 d .
C2A C 0.54576(18) 0.29517(16) 1.36869(14) 0.0216(7) Uani 1 1 d .
H2A H 0.5082 0.2818 1.3934 0.026 Uiso 1 1 calc R
N3A N 0.61158(15) 0.33657(13) 1.39691(11) 0.0212(6) Uani 1 1 d .
C4A C 0.67312(18) 0.36048(16) 1.36382(14) 0.0227(7) Uani 1 1 d .
H4A1 H 0.6589 0.3388 1.3204 0.034 Uiso 1 1 d R
H4A2 H 0.7279 0.3464 1.3828 0.034 Uiso 1 1 d R
H4A3 H 0.6741 0.4124 1.3660 0.034 Uiso 1 1 d R
C5A C 0.6241(2) 0.3634(2) 1.46261(15) 0.0432(10) Uani 1 1 d .
H5A1 H 0.5750 0.3502 1.4786 0.065 Uiso 1 1 d R
H5A2 H 0.6330 0.4153 1.4685 0.065 Uiso 1 1 d R
H5A3 H 0.6727 0.3428 1.4851 0.065 Uiso 1 1 d R
O1B O 0.45079(12) 0.12028(10) 1.30750(9) 0.0207(5) Uani 1 1 d .
C2B C 0.43094(19) 0.07488(16) 1.33783(13) 0.0214(7) Uani 1 1 d .
H2B H 0.3804 0.0797 1.3522 0.026 Uiso 1 1 calc R
N3B N 0.47433(16) 0.01992(13) 1.35205(12) 0.0245(6) Uani 1 1 d .
C4B C 0.5539(2) 0.01080(18) 1.33301(17) 0.0377(9) Uani 1 1 d .
H4B1 H 0.5471 0.0142 1.2887 0.057 Uiso 1 1 d R
H4B2 H 0.5732 -0.0360 1.3411 0.057 Uiso 1 1 d R
H4B3 H 0.5946 0.0480 1.3566 0.057 Uiso 1 1 d R
C5B C 0.4475(2) -0.03031(18) 1.39003(18) 0.0450(10) Uani 1 1 d .
H5B1 H 0.3958 -0.0156 1.4022 0.068 Uiso 1 1 d R
H5B2 H 0.4905 -0.0310 1.4272 0.068 Uiso 1 1 d R
H5B3 H 0.4382 -0.0779 1.3662 0.068 Uiso 1 1 d R
O1C O 0.38539(12) 0.35460(10) 1.26330(9) 0.0182(4) Uani 1 1 d .
C2C C 0.35063(18) 0.38575(15) 1.30334(13) 0.0185(7) Uani 1 1 d .
H2C H 0.2943 0.3713 1.3016 0.022 Uiso 1 1 calc R
N3C N 0.38467(15) 0.43699(12) 1.34801(11) 0.0188(6) Uani 1 1 d .
C4C C 0.47098(19) 0.46337(17) 1.35683(15) 0.0313(8) Uani 1 1 d .
H4C1 H 0.4959 0.4400 1.3235 0.047 Uiso 1 1 d R
H4C2 H 0.5015 0.4530 1.3969 0.047 Uiso 1 1 d R
H4C3 H 0.4736 0.5149 1.3560 0.047 Uiso 1 1 d R
C5C C 0.3389(2) 0.46755(16) 1.39429(14) 0.0275(8) Uani 1 1 d .
H5C1 H 0.2826 0.4452 1.3852 0.041 Uiso 1 1 d R
H5C2 H 0.3363 0.5188 1.3931 0.041 Uiso 1 1 d R
H5C3 H 0.3673 0.4591 1.4356 0.041 Uiso 1 1 d R
O1D O 0.24549(12) 0.22292(11) 1.22856(9) 0.0225(5) Uani 1 1 d .
C2D C 0.18432(18) 0.22157(16) 1.25289(13) 0.0203(7) Uani 1 1 d .
H2D H 0.1595 0.2654 1.2604 0.024 Uiso 1 1 calc R
N3D N 0.14967(15) 0.16499(13) 1.26963(11) 0.0223(6) Uani 1 1 d .
C4D C 0.1867(2) 0.09684(18) 1.26515(18) 0.0417(10) Uani 1 1 d .
H4D1 H 0.2335 0.0998 1.2441 0.062 Uiso 1 1 d R
H4D2 H 0.1452 0.0602 1.2415 0.062 Uiso 1 1 d R
H4D3 H 0.2063 0.0845 1.3068 0.062 Uiso 1 1 d R
C5D C 0.07845(19) 0.16962(18) 1.29947(15) 0.0304(8) Uani 1 1 d .
H5D1 H 0.0623 0.2189 1.3038 0.046 Uiso 1 1 d R
H5D2 H 0.0930 0.1543 1.3405 0.046 Uiso 1 1 d R
H5D3 H 0.0321 0.1388 1.2742 0.046 Uiso 1 1 d R
O1E O 0.42803(12) 0.20878(10) 1.18986(9) 0.0188(5) Uani 1 1 d .
C2E C 0.42208(17) 0.17681(15) 1.13601(13) 0.0171(6) Uani 1 1 d .
H2E H 0.4480 0.1996 1.1083 0.021 Uiso 1 1 calc R
N3E N 0.38314(15) 0.11458(13) 1.11472(11) 0.0199(6) Uani 1 1 d .
C4E C 0.3440(3) 0.0741(2) 1.15404(16) 0.0507(12) Uani 1 1 d .
H4E1 H 0.3661 0.0924 1.1976 0.076 Uiso 1 1 d R
H4E2 H 0.3558 0.0239 1.1462 0.076 Uiso 1 1 d R
H4E3 H 0.2840 0.0786 1.1447 0.076 Uiso 1 1 d R
C5E C 0.37919(19) 0.08127(17) 1.05174(13) 0.0258(8) Uani 1 1 d .
H5E1 H 0.4091 0.1122 1.0301 0.039 Uiso 1 1 d R
H5E2 H 0.3211 0.0736 1.0302 0.039 Uiso 1 1 d R
H5E3 H 0.4047 0.0354 1.0523 0.039 Uiso 1 1 d R
O1F O 0.93975(12) 0.20555(10) 0.69284(9) 0.0204(5) Uani 1 1 d .
C2F C 0.94198(17) 0.16883(16) 0.64231(13) 0.0191(7) Uani 1 1 d .
H2F H 0.9707 0.1895 0.6150 0.023 Uiso 1 1 calc R
N3F N 0.90793(15) 0.10399(13) 0.62365(11) 0.0204(6) Uani 1 1 d .
C4F C 0.8631(3) 0.06829(19) 0.66292(16) 0.0541(13) Uani 1 1 d .
H4F1 H 0.9028 0.0508 0.6957 0.081 Uiso 1 1 d R
H4F2 H 0.8281 0.0282 0.6378 0.081 Uiso 1 1 d R
H4F3 H 0.8282 0.1019 0.6816 0.081 Uiso 1 1 d R
C5F C 0.9211(2) 0.06178(17) 0.56765(14) 0.0274(8) Uani 1 1 d .
H5F1 H 0.9487 0.0918 0.5439 0.041 Uiso 1 1 d R
H5F2 H 0.8675 0.0422 0.5425 0.041 Uiso 1 1 d R
H5F3 H 0.9560 0.0227 0.5786 0.041 Uiso 1 1 d R
O1G O 1.03635(12) 0.27751(10) 0.81858(9) 0.0175(4) Uani 1 1 d .
C2G C 1.05052(18) 0.29642(16) 0.87556(14) 0.0213(7) Uani 1 1 d .
H2G H 1.0112 0.2802 0.8978 0.026 Uiso 1 1 calc R
N3G N 1.11497(14) 0.33685(13) 0.90804(11) 0.0203(6) Uani 1 1 d .
C4G C 1.17891(18) 0.36487(17) 0.87892(15) 0.0265(8) Uani 1 1 d .
H4G1 H 1.1635 0.3514 0.8339 0.040 Uiso 1 1 d R
H4G2 H 1.2319 0.3452 0.8946 0.040 Uiso 1 1 d R
H4G3 H 1.1844 0.4168 0.8886 0.040 Uiso 1 1 d R
C5G C 1.1241(2) 0.3564(2) 0.97474(15) 0.0384(9) Uani 1 1 d .
H5G1 H 1.0756 0.3373 0.9883 0.058 Uiso 1 1 d R
H5G2 H 1.1286 0.4084 0.9847 0.058 Uiso 1 1 d R
H5G3 H 1.1743 0.3368 0.9961 0.058 Uiso 1 1 d R
O1H O -0.08231(12) 0.33829(11) 1.62701(9) 0.0245(5) Uani 1 1 d .
C2H C -0.06510(19) 0.35596(16) 1.57885(14) 0.0234(7) Uani 1 1 d .
H2H H -0.0186 0.3362 1.5652 0.028 Uiso 1 1 calc R
N3H N -0.10684(15) 0.40031(12) 1.54525(11) 0.0179(5) Uani 1 1 d .
C4H C -0.17618(19) 0.43598(17) 1.56452(15) 0.0293(8) Uani 1 1 d .
H4H1 H -0.1965 0.4104 1.5949 0.044 Uiso 1 1 d R
H4H2 H -0.2208 0.4367 1.5284 0.044 Uiso 1 1 d R
H4H3 H -0.1579 0.4849 1.5833 0.044 Uiso 1 1 d R
C5H C -0.0813(2) 0.42193(17) 1.49056(14) 0.0272(8) Uani 1 1 d .
H5H1 H -0.0327 0.3966 1.4829 0.041 Uiso 1 1 d R
H5H2 H -0.0672 0.4733 1.4975 0.041 Uiso 1 1 d R
H5H3 H -0.1268 0.4104 1.4546 0.041 Uiso 1 1 d R
O1I O 0.88563(12) 0.34718(10) 0.76648(9) 0.0181(4) Uani 1 1 d .
C2I C 0.84796(18) 0.37505(15) 0.80581(13) 0.0182(6) Uani 1 1 d .
H2I H 0.7920 0.3581 0.8025 0.022 Uiso 1 1 calc R
N3I N 0.87814(15) 0.42596(13) 0.85187(11) 0.0195(6) Uani 1 1 d .
C4I C 0.96337(19) 0.45689(16) 0.86328(15) 0.0272(8) Uani 1 1 d .
H4I1 H 0.9907 0.4372 0.8299 0.041 Uiso 1 1 d R
H4I2 H 0.9938 0.4456 0.9030 0.041 Uiso 1 1 d R
H4I3 H 0.9627 0.5086 0.8645 0.041 Uiso 1 1 d R
C5I C 0.8295(2) 0.45288(16) 0.89734(14) 0.0272(8) Uani 1 1 d .
H5I1 H 0.7750 0.4271 0.8878 0.041 Uiso 1 1 d R
H5I2 H 0.8226 0.5037 0.8958 0.041 Uiso 1 1 d R
H5I3 H 0.8584 0.4459 0.9389 0.041 Uiso 1 1 d R
O1J O 0.07420(13) 0.43190(11) 1.75337(10) 0.0282(5) Uani 1 1 d .
C2J C 0.12253(19) 0.48418(16) 1.75679(14) 0.0220(7) Uani 1 1 d .
H2J H 0.1647 0.4945 1.7930 0.026 Uiso 1 1 calc R
N3J N 0.12010(14) 0.52696(13) 1.71380(11) 0.0188(6) Uani 1 1 d .
C4J C 0.05901(19) 0.51408(17) 1.65586(14) 0.0258(7) Uani 1 1 d .
H4J1 H 0.0861 0.4951 1.6222 0.039 Uiso 1 1 d R
H4J2 H 0.0347 0.5588 1.6467 0.039 Uiso 1 1 d R
H4J3 H 0.0152 0.4797 1.6599 0.039 Uiso 1 1 d R
C5J C 0.1800(2) 0.58739(17) 1.72242(15) 0.0304(8) Uani 1 1 d .
H5J1 H 0.2196 0.5878 1.7616 0.046 Uiso 1 1 d R
H5J2 H 0.1510 0.6316 1.7234 0.046 Uiso 1 1 d R
H5J3 H 0.2098 0.5835 1.6881 0.046 Uiso 1 1 d R
O1K O 0.75877(12) 0.20819(11) 0.73043(9) 0.0244(5) Uani 1 1 d .
C2K C 0.6935(2) 0.19676(17) 0.74847(14) 0.0268(7) Uani 1 1 d .
H2K H 0.6559 0.2336 0.7470 0.032 Uiso 1 1 calc R
N3K N 0.67072(15) 0.13852(14) 0.76958(12) 0.0239(6) Uani 1 1 d .
C4K C 0.7250(2) 0.08105(18) 0.77883(17) 0.0372(9) Uani 1 1 d .
H4K1 H 0.7766 0.0918 0.7652 0.056 Uiso 1 1 d R
H4K2 H 0.6976 0.0368 0.7547 0.056 Uiso 1 1 d R
H4K3 H 0.7374 0.0755 0.8229 0.056 Uiso 1 1 d R
C5K C 0.5938(2) 0.1333(2) 0.79254(18) 0.0434(10) Uani 1 1 d .
H5K1 H 0.6066 0.1346 0.8377 0.065 Uiso 1 1 d R
H5K2 H 0.5626 0.0884 0.7736 0.065 Uiso 1 1 d R
H5K3 H 0.5604 0.1732 0.7818 0.065 Uiso 1 1 d R
O1L O 0.97183(12) 0.12380(10) 0.81283(9) 0.0219(5) Uani 1 1 d .
C2L C 0.95515(18) 0.07914(16) 0.84517(14) 0.0212(7) Uani 1 1 d .
H2L H 0.9097 0.0871 0.8653 0.025 Uiso 1 1 calc R
N3L N 0.99533(15) 0.02112(13) 0.85421(11) 0.0212(6) Uani 1 1 d .
C4L C 1.0682(2) 0.00618(17) 0.82708(15) 0.0283(8) Uani 1 1 d .
H4L1 H 1.0642 0.0284 0.7892 0.042 Uiso 1 1 d R
H4L2 H 1.0708 -0.0453 0.8171 0.042 Uiso 1 1 d R
H4L3 H 1.1184 0.0255 0.8568 0.042 Uiso 1 1 d R
C5L C 0.9736(2) -0.02762(17) 0.89512(15) 0.0317(8) Uani 1 1 d .
H5L1 H 0.9273 -0.0098 0.9133 0.047 Uiso 1 1 d R
H5L2 H 1.0216 -0.0311 0.9282 0.047 Uiso 1 1 d R
H5L3 H 0.9573 -0.0747 0.8713 0.047 Uiso 1 1 d R
O1M O 0.55188(14) 0.06126(12) 1.19511(10) 0.0337(6) Uani 1 1 d .
C2M C 0.5789(2) 0.02557(17) 1.15353(15) 0.0282(8) Uani 1 1 d .
H2M H 0.5402 0.0087 1.1164 0.034 Uiso 1 1 calc R
N3M N 0.65626(16) 0.00873(13) 1.15586(11) 0.0229(6) Uani 1 1 d .
C4M C 0.7212(2) 0.03447(18) 1.20911(15) 0.0323(8) Uani 1 1 d .
H4M1 H 0.6963 0.0563 1.2430 0.048 Uiso 1 1 d R
H4M2 H 0.7583 0.0698 1.1977 0.048 Uiso 1 1 d R
H4M3 H 0.7530 -0.0054 1.2225 0.048 Uiso 1 1 d R
C5M C 0.6808(2) -0.02906(18) 1.10153(15) 0.0326(8) Uani 1 1 d .
H5M1 H 0.6312 -0.0473 1.0707 0.049 Uiso 1 1 d R
H5M2 H 0.7137 -0.0688 1.1137 0.049 Uiso 1 1 d R
H5M3 H 0.7140 0.0035 1.0837 0.049 Uiso 1 1 d R
O1N O 0.68427(12) 0.17295(11) 1.33323(9) 0.0233(5) Uani 1 1 d .
C2N C 0.75092(19) 0.19732(15) 1.32431(14) 0.0210(7) Uani 1 1 d .
H2N H 0.7566 0.1971 1.2825 0.025 Uiso 1 1 calc R
N3N N 0.81518(15) 0.22369(13) 1.36808(11) 0.0210(6) Uani 1 1 d .
C4N C 0.8125(2) 0.22822(17) 1.43369(14) 0.0283(8) Uani 1 1 d .
H4N1 H 0.7578 0.2102 1.4383 0.042 Uiso 1 1 d R
H4N2 H 0.8228 0.2779 1.4530 0.042 Uiso 1 1 d R
H4N3 H 0.8553 0.1996 1.4539 0.042 Uiso 1 1 d R
C5N C 0.89212(18) 0.25010(16) 1.35273(15) 0.0274(8) Uani 1 1 d .
H5N1 H 0.8874 0.2427 1.3077 0.041 Uiso 1 1 d R
H5N2 H 0.9384 0.2243 1.3722 0.041 Uiso 1 1 d R
H5N3 H 0.9021 0.3010 1.3681 0.041 Uiso 1 1 d R
O1O O 0.57424(13) 0.43376(11) 1.24279(10) 0.0261(5) Uani 1 1 d .
C2O C 0.61639(18) 0.48913(16) 1.24436(14) 0.0219(7) Uani 1 1 d .
H2O H 0.6609 0.5016 1.2787 0.026 Uiso 1 1 calc R
N3O N 0.60411(14) 0.53267(12) 1.20147(11) 0.0181(5) Uani 1 1 d .
C4O C 0.53890(18) 0.51508(16) 1.14645(13) 0.0224(7) Uani 1 1 d .
H4O1 H 0.5628 0.4930 1.1121 0.034 Uiso 1 1 d R
H4O2 H 0.5131 0.5586 1.1353 0.034 Uiso 1 1 d R
H4O3 H 0.4969 0.4819 1.1550 0.034 Uiso 1 1 d R
C5O C 0.66115(19) 0.59392(17) 1.20430(15) 0.0298(8) Uani 1 1 d .
H5O1 H 0.6994 0.6012 1.2446 0.045 Uiso 1 1 d R
H5O2 H 0.6297 0.6363 1.1991 0.045 Uiso 1 1 d R
H5O3 H 0.6927 0.5855 1.1712 0.045 Uiso 1 1 d R
O1P O 0.41379(12) 0.34252(11) 1.12372(9) 0.0208(5) Uani 1 1 d .
C2P C 0.43105(18) 0.35738(15) 1.07467(13) 0.0193(7) Uani 1 1 d .
H2P H 0.4748 0.3336 1.0602 0.023 Uiso 1 1 calc R
N3P N 0.39323(14) 0.40376(13) 1.04101(11) 0.0186(6) Uani 1 1 d .
C4P C 0.32836(18) 0.44560(17) 1.06061(14) 0.0250(7) Uani 1 1 d .
H4P1 H 0.3086 0.4248 1.0937 0.037 Uiso 1 1 d R
H4P2 H 0.2822 0.4457 1.0254 0.037 Uiso 1 1 d R
H4P3 H 0.3506 0.4945 1.0759 0.037 Uiso 1 1 d R
C5P C 0.41974(19) 0.42064(16) 0.98522(13) 0.0238(7) Uani 1 1 d .
H5P1 H 0.4676 0.3935 0.9789 0.036 Uiso 1 1 d R
H5P2 H 0.4353 0.4716 0.9898 0.036 Uiso 1 1 d R
H5P3 H 0.3742 0.4082 0.9494 0.036 Uiso 1 1 d R
O1Q O 0.21118(14) 0.39441(12) 1.17552(10) 0.0327(6) Uani 1 1 d .
C2Q C 0.1447(2) 0.37270(17) 1.18597(14) 0.0260(7) Uani 1 1 d .
H2Q H 0.1177 0.3315 1.1601 0.031 Uiso 1 1 calc R
N3Q N 0.10703(15) 0.40163(13) 1.23016(11) 0.0215(6) Uani 1 1 d .
C4Q C 0.1409(2) 0.46654(16) 1.27132(15) 0.0296(8) Uani 1 1 d .
H4Q1 H 0.1949 0.4809 1.2629 0.044 Uiso 1 1 d R
H4Q2 H 0.1476 0.4577 1.3145 0.044 Uiso 1 1 d R
H4Q3 H 0.1028 0.5045 1.2642 0.044 Uiso 1 1 d R
C5Q C 0.02914(18) 0.37042(17) 1.23968(14) 0.0269(8) Uani 1 1 d .
H5Q1 H 0.0149 0.3251 1.2124 0.040 Uiso 1 1 d R
H5Q2 H -0.0149 0.4030 1.2301 0.040 Uiso 1 1 d R
H5Q3 H 0.0351 0.3622 1.2830 0.040 Uiso 1 1 d R
O1R O 0.23036(16) 0.23411(14) 1.07948(11) 0.0472(7) Uani 1 1 d .
C2R C 0.1566(2) 0.21354(19) 1.06630(16) 0.0376(9) Uani 1 1 d .
H2R H 0.1229 0.2300 1.0947 0.045 Uiso 1 1 calc R
N3R N 0.12019(15) 0.17059(13) 1.01618(11) 0.0216(6) Uani 1 1 d .
C4R C 0.1663(2) 0.1413(2) 0.97154(16) 0.0392(9) Uani 1 1 d .
H4R1 H 0.2250 0.1572 0.9855 0.059 Uiso 1 1 d R
H4R2 H 0.1450 0.1574 0.9315 0.059 Uiso 1 1 d R
H4R3 H 0.1605 0.0892 0.9670 0.059 Uiso 1 1 d R
C5R C 0.03160(19) 0.15206(18) 1.00313(15) 0.0321(8) Uani 1 1 d .
H5R1 H 0.0081 0.1703 1.0389 0.048 Uiso 1 1 d R
H5R2 H 0.0219 0.1002 0.9948 0.048 Uiso 1 1 d R
H5R3 H 0.0050 0.1731 0.9668 0.048 Uiso 1 1 d R
O1S O -0.27188(17) 0.23040(14) 1.58139(11) 0.0496(7) Uani 1 1 d .
C2S C -0.3448(2) 0.22009(19) 1.55564(16) 0.0396(9) Uani 1 1 d .
H2S H -0.3816 0.2552 1.5654 0.047 Uiso 1 1 calc R
N3S N -0.37677(16) 0.16395(14) 1.51520(12) 0.0259(6) Uani 1 1 d .
C4S C -0.3256(2) 0.10820(18) 1.49761(17) 0.0383(9) Uani 1 1 d .
H4S1 H -0.2691 0.1179 1.5220 0.057 Uiso 1 1 d R
H4S2 H -0.3244 0.1061 1.4534 0.057 Uiso 1 1 d R
H4S3 H -0.3484 0.0626 1.5054 0.057 Uiso 1 1 d R
C5S C -0.4637(2) 0.1578(2) 1.48465(17) 0.0433(10) Uani 1 1 d .
H5S1 H -0.4915 0.1990 1.5003 0.065 Uiso 1 1 d R
H5S2 H -0.4902 0.1142 1.4932 0.065 Uiso 1 1 d R
H5S3 H -0.4679 0.1562 1.4398 0.065 Uiso 1 1 d R
O1T O -0.28843(13) 0.38055(12) 1.68051(10) 0.0309(5) Uani 1 1 d .
C2T C -0.3544(2) 0.35671(18) 1.68981(14) 0.0258(7) Uani 1 1 d .
H2T H -0.3789 0.3145 1.6641 0.031 Uiso 1 1 calc R
N3T N -0.39512(15) 0.38463(13) 1.73284(11) 0.0228(6) Uani 1 1 d .
C4T C -0.3649(2) 0.45074(17) 1.77354(15) 0.0305(8) Uani 1 1 d .
H4T1 H -0.3105 0.4663 1.7664 0.046 Uiso 1 1 d R
H4T2 H -0.3598 0.4428 1.8169 0.046 Uiso 1 1 d R
H4T3 H -0.4040 0.4875 1.7647 0.046 Uiso 1 1 d R
C5T C -0.47261(18) 0.35128(17) 1.74075(14) 0.0267(8) Uani 1 1 d .
H5T1 H -0.4850 0.3062 1.7130 0.040 Uiso 1 1 d R
H5T2 H -0.5176 0.3829 1.7308 0.040 Uiso 1 1 d R
H5T3 H -0.4675 0.3423 1.7838 0.040 Uiso 1 1 d R
O1U O 0.08995(14) 0.08244(11) 1.69800(10) 0.0322(6) Uani 1 1 d .
C2U C 0.13597(19) 0.06020(16) 1.66315(14) 0.0243(7) Uani 1 1 d .
H2U H 0.1708 0.0942 1.6506 0.029 Uiso 1 1 calc R
N3U N 0.14049(15) -0.00740(13) 1.64197(11) 0.0215(6) Uani 1 1 d .
C4U C 0.08738(19) -0.06197(16) 1.65786(15) 0.0267(7) Uani 1 1 d .
H4U1 H 0.1207 -0.0895 1.6869 0.040 Uiso 1 1 d R
H4U2 H 0.0614 -0.0937 1.6202 0.040 Uiso 1 1 d R
H4U3 H 0.0443 -0.0396 1.6771 0.040 Uiso 1 1 d R
C5U C 0.1990(2) -0.03057(18) 1.60331(15) 0.0344(9) Uani 1 1 d .
H5U1 H 0.2300 0.0110 1.5951 0.052 Uiso 1 1 d R
H5U2 H 0.1688 -0.0568 1.5640 0.052 Uiso 1 1 d R
H5U3 H 0.2378 -0.0616 1.6248 0.052 Uiso 1 1 d R
O1V O 0.20075(13) 0.18393(12) 1.83356(10) 0.0291(5) Uani 1 1 d .
C2V C 0.26704(19) 0.18225(16) 1.81594(15) 0.0250(7) Uani 1 1 d .
H2V H 0.2648 0.1662 1.7733 0.030 Uiso 1 1 calc R
N3V N 0.34117(15) 0.20069(14) 1.85066(12) 0.0250(6) Uani 1 1 d .
C4V C 0.3520(2) 0.22730(18) 1.91620(14) 0.0316(8) Uani 1 1 d .
H4V1 H 0.2976 0.2342 1.9270 0.047 Uiso 1 1 d R
H4V2 H 0.3850 0.2728 1.9251 0.047 Uiso 1 1 d R
H4V3 H 0.3808 0.1929 1.9407 0.047 Uiso 1 1 d R
C5V C 0.4168(2) 0.1906(2) 1.82631(15) 0.0391(9) Uani 1 1 d .
H5V1 H 0.4474 0.1532 1.8457 0.059 Uiso 1 1 d R
H5V2 H 0.4515 0.2352 1.8356 0.059 Uiso 1 1 d R
H5V3 H 0.4023 0.1767 1.7813 0.059 Uiso 1 1 d R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
S1A Cu1 S4A 170.45(3) . .
S1A Cu1 Cu4 135.36(3) . .
S4A Cu1 Cu4 51.45(3) . .
S1A Cu1 Cu8 136.86(3) . .
S4A Cu1 Cu8 50.16(2) . .
Cu4 Cu1 Cu8 60.775(19) . .
S1A Cu1 Cu5 47.82(3) . .
S4A Cu1 Cu5 138.81(3) . .
Cu4 Cu1 Cu5 118.78(2) . .
Cu8 Cu1 Cu5 89.09(2) . .
S1A Cu1 Cu2 45.75(2) . .
S4A Cu1 Cu2 141.10(3) . .
Cu4 Cu1 Cu2 89.83(2) . .
Cu8 Cu1 Cu2 118.73(2) . .
Cu5 Cu1 Cu2 58.009(15) . .
S1A Cu2 S2A 169.63(4) . .
S1A Cu2 Cu3 135.44(3) . .
S2A Cu2 Cu3 51.30(3) . .
S1A Cu2 Cu6 138.77(3) . .
S2A Cu2 Cu6 49.28(3) . .
Cu3 Cu2 Cu6 60.728(17) . .
S1A Cu2 Cu5 48.41(3) . .
S2A Cu2 Cu5 139.10(3) . .
Cu3 Cu2 Cu5 120.250(19) . .
Cu6 Cu2 Cu5 90.38(2) . .
S1A Cu2 Cu1 45.88(3) . .
S2A Cu2 Cu1 141.01(3) . .
Cu3 Cu2 Cu1 89.91(2) . .
Cu6 Cu2 Cu1 119.857(17) . .
Cu5 Cu2 Cu1 59.07(2) . .
S3A Cu3 S2A 170.52(4) . .
S3A Cu3 Cu2 135.39(3) . .
S2A Cu3 Cu2 50.56(3) . .
S3A Cu3 Cu6 137.93(3) . .
S2A Cu3 Cu6 49.51(3) . .
Cu2 Cu3 Cu6 61.41(2) . .
S3A Cu3 Cu7 48.14(3) . .
S2A Cu3 Cu7 139.16(3) . .
Cu2 Cu3 Cu7 119.20(2) . .
Cu6 Cu3 Cu7 89.88(2) . .
S3A Cu3 Cu4 46.06(2) . .
S2A Cu3 Cu4 140.20(3) . .
Cu2 Cu3 Cu4 89.74(2) . .
Cu6 Cu3 Cu4 118.993(19) . .
Cu7 Cu3 Cu4 57.295(18) . .
S3A Cu4 S4A 167.62(4) . .
S3A Cu4 Cu1 136.10(3) . .
S4A Cu4 Cu1 51.16(2) . .
S3A Cu4 Cu8 139.87(3) . .
S4A Cu4 Cu8 50.20(3) . .
Cu1 Cu4 Cu8 60.955(17) . .
S3A Cu4 Cu7 49.40(3) . .
S4A Cu4 Cu7 139.99(3) . .
Cu1 Cu4 Cu7 121.52(2) . .
Cu8 Cu4 Cu7 90.51(2) . .
S3A Cu4 Cu3 46.20(3) . .
S4A Cu4 Cu3 141.36(3) . .
Cu1 Cu4 Cu3 90.50(2) . .
Cu8 Cu4 Cu3 120.15(2) . .
Cu7 Cu4 Cu3 59.566(14) . .
S5A Cu5 S1A 169.10(3) . .
S5A Cu5 Cu9 50.31(3) . .
S1A Cu5 Cu9 138.95(3) . .
S5A Cu5 Cu10 49.57(3) . .
S1A Cu5 Cu10 136.50(3) . .
Cu9 Cu5 Cu10 59.77(2) . .
S5A Cu5 Cu2 136.61(3) . .
S1A Cu5 Cu2 48.34(2) . .
Cu9 Cu5 Cu2 121.96(2) . .
Cu10 Cu5 Cu2 88.18(2) . .
S5A Cu5 Cu1 141.20(3) . .
S1A Cu5 Cu1 47.89(2) . .
Cu9 Cu5 Cu1 91.14(2) . .
Cu10 Cu5 Cu1 119.854(18) . .
Cu2 Cu5 Cu1 62.925(17) . .
S6A Cu6 S2A 170.12(4) . .
S6A Cu6 Cu10 49.86(2) . .
S2A Cu6 Cu10 137.81(3) . .
S6A Cu6 Cu3 136.35(3) . .
S2A Cu6 Cu3 49.81(3) . .
Cu10 Cu6 Cu3 118.70(2) . .
S6A Cu6 Cu2 139.33(3) . .
S2A Cu6 Cu2 48.87(3) . .
Cu10 Cu6 Cu2 89.47(2) . .
Cu3 Cu6 Cu2 57.863(16) . .
S6A Cu6 Cu11 46.99(3) . .
S2A Cu6 Cu11 139.09(3) . .
Cu10 Cu6 Cu11 60.329(18) . .
Cu3 Cu6 Cu11 89.58(2) . .
Cu2 Cu6 Cu11 118.40(2) . .
S3A Cu7 S7A 166.91(3) . .
S3A Cu7 Cu11 139.17(3) . .
S7A Cu7 Cu11 50.28(2) . .
S3A Cu7 Cu12 139.26(3) . .
S7A Cu7 Cu12 49.82(2) . .
Cu11 Cu7 Cu12 59.914(17) . .
S3A Cu7 Cu4 49.08(3) . .
S7A Cu7 Cu4 139.21(3) . .
Cu11 Cu7 Cu4 122.287(19) . .
Cu12 Cu7 Cu4 90.30(2) . .
S3A Cu7 Cu3 47.99(3) . .
S7A Cu7 Cu3 140.84(3) . .
Cu11 Cu7 Cu3 91.32(2) . .
Cu12 Cu7 Cu3 122.66(2) . .
Cu4 Cu7 Cu3 63.14(2) . .
S8A Cu8 S4A 168.45(4) . .
S8A Cu8 Cu4 138.59(3) . .
S4A Cu8 Cu4 50.19(2) . .
S8A Cu8 Cu1 138.20(3) . .
S4A Cu8 Cu1 49.88(3) . .
Cu4 Cu8 Cu1 58.270(17) . .
S8A Cu8 Cu12 48.60(3) . .
S4A Cu8 Cu12 139.14(3) . .
Cu4 Cu8 Cu12 89.99(2) . .
Cu1 Cu8 Cu12 121.66(2) . .
S8A Cu8 Cu9 47.66(2) . .
S4A Cu8 Cu9 140.06(3) . .
Cu4 Cu8 Cu9 119.32(2) . .
Cu1 Cu8 Cu9 90.70(2) . .
Cu12 Cu8 Cu9 62.014(16) . .
S8A Cu9 S5A 171.26(3) . .
S8A Cu9 Cu5 136.67(3) . .
S5A Cu9 Cu5 49.73(2) . .
S8A Cu9 Cu10 136.03(3) . .
S5A Cu9 Cu10 50.07(2) . .
Cu5 Cu9 Cu10 60.958(19) . .
S8A Cu9 Cu8 47.72(3) . .
S5A Cu9 Cu8 138.61(3) . .
Cu5 Cu9 Cu8 89.07(2) . .
Cu10 Cu9 Cu8 118.626(19) . .
S8A Cu9 Cu12 46.65(3) . .
S5A Cu9 Cu12 139.45(3) . .
Cu5 Cu9 Cu12 119.02(2) . .
Cu10 Cu9 Cu12 89.552(19) . .
Cu8 Cu9 Cu12 58.30(2) . .
S6A Cu10 S5A 166.75(4) . .
S6A Cu10 Cu9 137.91(3) . .
S5A Cu10 Cu9 49.97(3) . .
S6A Cu10 Cu6 49.79(3) . .
S5A Cu10 Cu6 139.66(3) . .
Cu9 Cu10 Cu6 124.11(2) . .
S6A Cu10 Cu5 141.76(3) . .
S5A Cu10 Cu5 48.91(2) . .
Cu9 Cu10 Cu5 59.274(15) . .
Cu6 Cu10 Cu5 91.97(2) . .
S6A Cu10 Cu11 48.10(2) . .
S5A Cu10 Cu11 140.06(3) . .
Cu9 Cu10 Cu11 90.45(2) . .
Cu6 Cu10 Cu11 62.576(17) . .
Cu5 Cu10 Cu11 120.46(2) . .
S6A Cu11 S7A 169.11(4) . .
S6A Cu11 Cu7 136.01(3) . .
S7A Cu11 Cu7 50.20(3) . .
S6A Cu11 Cu12 139.00(3) . .
S7A Cu11 Cu12 50.07(2) . .
Cu7 Cu11 Cu12 60.464(16) . .
S6A Cu11 Cu10 48.15(3) . .
S7A Cu11 Cu10 141.29(3) . .
Cu7 Cu11 Cu10 116.85(2) . .
Cu12 Cu11 Cu10 91.24(2) . .
S6A Cu11 Cu6 46.97(3) . .
S7A Cu11 Cu6 138.80(3) . .
Cu7 Cu11 Cu6 89.21(2) . .
Cu12 Cu11 Cu6 121.09(2) . .
Cu10 Cu11 Cu6 57.095(17) . .
S8A Cu12 S7A 171.37(3) . .
S8A Cu12 Cu11 134.81(3) . .
S7A Cu12 Cu11 50.14(3) . .
S8A Cu12 Cu7 137.58(3) . .
S7A Cu12 Cu7 49.81(3) . .
Cu11 Cu12 Cu7 59.62(2) . .
S8A Cu12 Cu8 48.45(2) . .
S7A Cu12 Cu8 138.37(3) . .
Cu11 Cu12 Cu8 120.115(17) . .
Cu7 Cu12 Cu8 89.15(2) . .
S8A Cu12 Cu9 46.45(2) . .
S7A Cu12 Cu9 138.74(3) . .
Cu11 Cu12 Cu9 88.71(2) . .
Cu7 Cu12 Cu9 116.69(2) . .
Cu8 Cu12 Cu9 59.687(17) . .
Cu2 S1A Cu5 83.25(4) . .
Cu2 S1A Cu1 88.37(3) . .
Cu5 S1A Cu1 84.29(3) . .
Cu2 S1A Na1 117.84(4) . .
Cu5 S1A Na1 133.61(4) . .
Cu1 S1A Na1 133.08(4) . .
Cu2 S2A Cu6 81.84(4) . .
Cu2 S2A Cu3 78.14(3) . .
Cu6 S2A Cu3 80.68(3) . .
Cu4 S3A Cu3 87.74(3) . .
Cu4 S3A Cu7 81.52(3) . .
Cu3 S3A Cu7 83.86(3) . .
Cu1 S4A Cu4 77.39(3) . .
Cu1 S4A Cu8 79.96(3) . .
Cu4 S4A Cu8 79.61(3) . .
Cu5 S5A Cu9 79.95(3) . .
Cu5 S5A Cu10 81.53(3) . .
Cu9 S5A Cu10 79.96(3) . .
Cu6 S6A Cu11 86.04(3) . .
Cu6 S6A Cu10 80.34(4) . .
Cu11 S6A Cu10 83.75(3) . .
Cu7 S7A Cu12 80.37(3) . .
Cu7 S7A Cu11 79.51(3) . .
Cu12 S7A Cu11 79.79(3) . .
Cu7 S7A Na2 106.58(4) . .
Cu12 S7A Na2 104.13(4) . .
Cu11 S7A Na2 173.12(4) . .
Cu7 S7A Na8 109.75(4) . .
Cu12 S7A Na8 165.71(4) . .
Cu11 S7A Na8 111.42(4) . .
Na2 S7A Na8 63.84(3) . .
Cu9 S8A Cu8 84.62(3) . .
Cu9 S8A Cu12 86.90(3) . .
Cu8 S8A Cu12 82.95(3) . .
S4B Cu13 S1B 171.60(4) . .
S4B Cu13 Cu17 134.00(3) . .
S1B Cu13 Cu17 50.87(2) . .
S4B Cu13 Cu14 138.13(3) . .
S1B Cu13 Cu14 48.73(2) . .
Cu17 Cu13 Cu14 61.79(2) . .
S4B Cu13 Cu16 48.63(3) . .
S1B Cu13 Cu16 138.05(3) . .
Cu17 Cu13 Cu16 118.90(2) . .
Cu14 Cu13 Cu16 89.54(2) . .
S4B Cu13 Cu20 45.76(3) . .
S1B Cu13 Cu20 139.72(3) . .
Cu17 Cu13 Cu20 88.85(2) . .
Cu14 Cu13 Cu20 117.80(2) . .
Cu16 Cu13 Cu20 56.87(2) . .
S1B Cu14 S2B 169.79(3) . .
S1B Cu14 Cu18 135.95(3) . .
S2B Cu14 Cu18 49.24(2) . .
S1B Cu14 Cu13 49.31(3) . .
S2B Cu14 Cu13 139.01(3) . .
Cu18 Cu14 Cu13 121.76(2) . .
S1B Cu14 Cu17 48.87(3) . .
S2B Cu14 Cu17 137.64(3) . .
Cu18 Cu14 Cu17 88.402(19) . .
Cu13 Cu14 Cu17 57.63(2) . .
S1B Cu14 Cu15 139.79(3) . .
S2B Cu14 Cu15 48.32(2) . .
Cu18 Cu14 Cu15 64.128(16) . .
Cu13 Cu14 Cu15 90.77(2) . .
Cu17 Cu14 Cu15 118.750(18) . .
S2B Cu15 S3B 171.48(4) . .
S2B Cu15 Cu19 134.43(3) . .
S3B Cu15 Cu19 51.63(3) . .
S2B Cu15 Cu16 137.20(3) . .
S3B Cu15 Cu16 48.82(3) . .
Cu19 Cu15 Cu16 62.251(19) . .
S2B Cu15 Cu14 48.30(3) . .
S3B Cu15 Cu14 137.39(3) . .
Cu19 Cu15 Cu14 119.31(2) . .
Cu16 Cu15 Cu14 88.94(2) . .
S2B Cu15 Cu18 45.56(2) . .
S3B Cu15 Cu18 141.03(3) . .
Cu19 Cu15 Cu18 89.41(2) . .
Cu16 Cu15 Cu18 117.92(2) . .
Cu14 Cu15 Cu18 57.019(17) . .
S3B Cu16 S4B 169.52(4) . .
S3B Cu16 Cu20 136.36(3) . .
S4B Cu16 Cu20 49.73(3) . .
S3B Cu16 Cu15 48.87(3) . .
S4B Cu16 Cu15 139.23(3) . .
Cu20 Cu16 Cu15 121.40(2) . .
S3B Cu16 Cu13 139.17(3) . .
S4B Cu16 Cu13 48.54(2) . .
Cu20 Cu16 Cu13 64.597(16) . .
Cu15 Cu16 Cu13 90.75(2) . .
S3B Cu16 Cu19 48.76(3) . .
S4B Cu16 Cu19 138.61(3) . .
Cu20 Cu16 Cu19 88.89(2) . .
Cu15 Cu16 Cu19 56.527(17) . .
Cu13 Cu16 Cu19 118.927(19) . .
S5B Cu17 S1B 166.60(4) . .
S5B Cu17 Cu13 137.24(3) . .
S1B Cu17 Cu13 50.69(3) . .
S5B Cu17 Cu22 50.62(3) . .
S1B Cu17 Cu22 138.59(3) . .
Cu13 Cu17 Cu22 124.64(2) . .
S5B Cu17 Cu14 142.35(3) . .
S1B Cu17 Cu14 48.13(2) . .
Cu13 Cu17 Cu14 60.579(14) . .
Cu22 Cu17 Cu14 91.736(19) . .
S5B Cu17 Cu21 47.39(2) . .
S1B Cu17 Cu21 141.86(3) . .
Cu13 Cu17 Cu21 91.21(2) . .
Cu22 Cu17 Cu21 60.424(16) . .
Cu14 Cu17 Cu21 119.694(19) . .
S2B Cu18 S6B 169.20(3) . .
S2B Cu18 Cu23 134.92(3) . .
S6B Cu18 Cu23 52.17(2) . .
S2B Cu18 Cu14 49.32(3) . .
S6B Cu18 Cu14 137.91(3) . .
Cu23 Cu18 Cu14 121.758(19) . .
S2B Cu18 Cu22 139.70(3) . .
S6B Cu18 Cu22 48.69(2) . .
Cu23 Cu18 Cu22 60.333(17) . .
Cu14 Cu18 Cu22 90.396(19) . .
S2B Cu18 Cu15 45.64(3) . .
S6B Cu18 Cu15 142.24(3) . .
Cu23 Cu18 Cu15 90.09(2) . .
Cu14 Cu18 Cu15 58.85(2) . .
Cu22 Cu18 Cu15 117.908(17) . .
S7B Cu19 S3B 167.89(4) . .
S7B Cu19 Cu15 134.70(3) . .
S3B Cu19 Cu15 51.15(2) . .
S7B Cu19 Cu24 50.04(2) . .
S3B Cu19 Cu24 139.42(3) . .
Cu15 Cu19 Cu24 123.89(2) . .
S7B Cu19 Cu16 142.19(3) . .
S3B Cu19 Cu16 48.28(3) . .
Cu15 Cu19 Cu16 61.222(17) . .
Cu24 Cu19 Cu16 92.16(2) . .
S7B Cu19 Cu23 45.96(3) . .
S3B Cu19 Cu23 141.24(3) . .
Cu15 Cu19 Cu23 90.12(2) . .
Cu24 Cu19 Cu23 59.438(14) . .
Cu16 Cu19 Cu23 119.27(2) . .
S4B Cu20 S8B 171.22(3) . .
S4B Cu20 Cu21 133.68(3) . .
S8B Cu20 Cu21 50.79(3) . .
S4B Cu20 Cu16 49.50(2) . .
S8B Cu20 Cu16 137.61(3) . .
Cu21 Cu20 Cu16 120.598(18) . .
S4B Cu20 Cu24 140.07(3) . .
S8B Cu20 Cu24 47.73(3) . .
Cu21 Cu20 Cu24 59.39(2) . .
Cu16 Cu20 Cu24 90.62(2) . .
S4B Cu20 Cu13 45.48(2) . .
S8B Cu20 Cu13 139.79(3) . .
Cu21 Cu20 Cu13 89.00(2) . .
Cu16 Cu20 Cu13 58.536(16) . .
Cu24 Cu20 Cu13 116.835(18) . .
S5B Cu21 S8B 168.43(4) . .
S5B Cu21 Cu20 137.41(3) . .
S8B Cu21 Cu20 50.90(2) . .
S5B Cu21 Cu24 137.80(3) . .
S8B Cu21 Cu24 49.68(3) . .
Cu20 Cu21 Cu24 63.439(18) . .
S5B Cu21 Cu22 48.80(2) . .
S8B Cu21 Cu22 138.43(3) . .
Cu20 Cu21 Cu22 122.11(2) . .
Cu24 Cu21 Cu22 89.23(2) . .
S5B Cu21 Cu17 47.59(3) . .
S8B Cu21 Cu17 141.80(3) . .
Cu20 Cu21 Cu17 90.91(2) . .
Cu24 Cu21 Cu17 118.05(2) . .
Cu22 Cu21 Cu17 56.864(18) . .
S6B Cu22 S5B 167.88(3) . .
S6B Cu22 Cu17 136.56(3) . .
S5B Cu22 Cu17 50.52(2) . .
S6B Cu22 Cu23 50.20(2) . .
S5B Cu22 Cu23 139.31(3) . .
Cu17 Cu22 Cu23 120.108(19) . .
S6B Cu22 Cu21 140.76(3) . .
S5B Cu22 Cu21 48.49(3) . .
Cu17 Cu22 Cu21 62.712(18) . .
Cu23 Cu22 Cu21 90.97(2) . .
S6B Cu22 Cu18 48.33(3) . .
S5B Cu22 Cu18 139.96(3) . .
Cu17 Cu22 Cu18 89.464(18) . .
Cu23 Cu22 Cu18 56.565(16) . .
Cu21 Cu22 Cu18 119.46(2) . .
S7B Cu23 S6B 169.42(4) . .
S7B Cu23 Cu18 135.52(3) . .
S6B Cu23 Cu18 51.42(3) . .
S7B Cu23 Cu22 137.87(3) . .
S6B Cu23 Cu22 49.89(3) . .
Cu18 Cu23 Cu22 63.10(2) . .
S7B Cu23 Cu24 48.53(3) . .
S6B Cu23 Cu24 138.77(3) . .
Cu18 Cu23 Cu24 121.56(2) . .
Cu22 Cu23 Cu24 89.40(2) . .
S7B Cu23 Cu19 46.23(2) . .
S6B Cu23 Cu19 141.76(3) . .
Cu18 Cu23 Cu19 90.33(2) . .
Cu22 Cu23 Cu19 117.51(2) . .
Cu24 Cu23 Cu19 56.570(19) . .
S7B Cu24 S8B 170.11(3) . .
S7B Cu24 Cu19 50.02(3) . .
S8B Cu24 Cu19 135.13(3) . .
S7B Cu24 Cu21 138.57(3) . .
S8B Cu24 Cu21 49.67(2) . .
Cu19 Cu24 Cu21 119.569(19) . .
S7B Cu24 Cu23 48.22(3) . .
S8B Cu24 Cu23 139.69(3) . .
Cu19 Cu24 Cu23 63.99(2) . .
Cu21 Cu24 Cu23 90.38(2) . .
S7B Cu24 Cu20 138.30(3) . .
S8B Cu24 Cu20 47.82(2) . .
Cu19 Cu24 Cu20 88.29(2) . .
Cu21 Cu24 Cu20 57.175(16) . .
Cu23 Cu24 Cu20 119.81(2) . .
Cu14 S1B Cu13 81.96(3) . .
Cu14 S1B Cu17 83.00(4) . .
Cu13 S1B Cu17 78.44(3) . .
Cu18 S2B Cu14 81.44(4) . .
Cu18 S2B Cu15 88.80(3) . .
Cu14 S2B Cu15 83.38(3) . .
Cu18 S2B Na3 123.30(4) . .
Cu14 S2B Na3 132.25(4) . .
Cu15 S2B Na3 131.30(4) . .
Cu16 S3B Cu15 82.32(3) . .
Cu16 S3B Cu19 82.95(4) . .
Cu15 S3B Cu19 77.22(3) . .
Cu13 S4B Cu16 82.83(3) . .
Cu13 S4B Cu20 88.76(4) . .
Cu16 S4B Cu20 80.76(3) . .
Cu21 S5B Cu17 85.01(3) . .
Cu21 S5B Cu22 82.71(3) . .
Cu17 S5B Cu22 78.86(3) . .
Cu18 S6B Cu22 82.98(4) . .
Cu18 S6B Cu23 76.41(3) . .
Cu22 S6B Cu23 79.91(3) . .
Cu23 S7B Cu19 87.81(3) . .
Cu23 S7B Cu24 83.26(3) . .
Cu19 S7B Cu24 79.94(3) . .
Cu21 S8B Cu24 80.66(3) . .
Cu21 S8B Cu20 78.32(3) . .
Cu24 S8B Cu20 84.46(4) . .
Cu21 S8B Na5 160.61(4) . .
Cu24 S8B Na5 117.22(4) . .
Cu20 S8B Na5 95.20(4) . .
Cu21 S8B Na4 114.63(4) . .
Cu24 S8B Na4 109.31(4) . .
Cu20 S8B Na4 161.95(4) . .
Na5 S8B Na4 68.39(4) . .
O1E Na1 O1B 88.72(8) . .
O1E Na1 O1D 89.61(8) . .
O1B Na1 O1D 122.64(8) . .
O1E Na1 O1A 78.43(7) . .
O1B Na1 O1A 80.48(8) . .
O1D Na1 O1A 154.03(8) . .
O1E Na1 O1C 82.60(7) . .
O1B Na1 O1C 153.78(8) . .
O1D Na1 O1C 82.15(7) . .
O1A Na1 O1C 73.56(7) . .
O1E Na1 S1A 174.14(7) . .
O1B Na1 S1A 97.12(6) . .
O1D Na1 S1A 87.50(6) . .
O1A Na1 S1A 102.15(6) . .
O1C Na1 S1A 91.96(6) . .
O1J Na2 O1H 106.27(9) . .
O1J Na2 O1G 98.01(8) . 1_456
O1H Na2 O1G 149.73(8) . 1_456
O1J Na2 O1I 98.17(8) . 1_456
O1H Na2 O1I 84.39(8) . 1_456
O1G Na2 O1I 74.35(7) 1_456 1_456
O1J Na2 O1F 174.75(9) . 1_456
O1H Na2 O1F 78.93(8) . 1_456
O1G Na2 O1F 76.81(7) 1_456 1_456
O1I Na2 O1F 81.40(7) 1_456 1_456
O1J Na2 S7A 91.17(7) . .
O1H Na2 S7A 102.05(7) . .
O1G Na2 S7A 95.13(6) 1_456 .
O1I Na2 S7A 166.75(7) 1_456 .
O1F Na2 S7A 88.43(6) 1_456 .
O1F Na3 O1L 87.32(8) . .
O1F Na3 O1K 88.02(8) . .
O1L Na3 O1K 122.02(8) . .
O1F Na3 O1G 80.07(7) . .
O1L Na3 O1G 79.26(8) . .
O1K Na3 O1G 155.29(8) . .
O1F Na3 O1I 83.88(7) . .
O1L Na3 O1I 152.78(8) . .
O1K Na3 O1I 83.43(8) . .
O1G Na3 O1I 73.88(7) . .
O1F Na3 S2B 175.52(7) . .
O1L Na3 S2B 95.83(6) . .
O1K Na3 S2B 87.61(6) . .
O1G Na3 S2B 103.62(6) . .
O1I Na3 S2B 94.65(6) . .
O1M Na4 O1A 163.87(9) . .
O1M Na4 O1N 109.12(9) . .
O1A Na4 O1N 86.50(8) . .
O1M Na4 O1B 91.16(8) . .
O1A Na4 O1B 80.17(7) . .
O1N Na4 O1B 106.63(8) . .
O1M Na4 O1E 92.00(8) . .
O1A Na4 O1E 73.13(7) . .
O1N Na4 O1E 157.62(8) . .
O1B Na4 O1E 79.44(7) . .
O1M Na4 S8B 93.33(7) . .
O1A Na4 S8B 89.66(6) . .
O1N Na4 S8B 93.20(6) . .
O1B Na4 S8B 156.96(7) . .
O1E Na4 S8B 77.83(5) . .
O1O Na5 O1P 101.73(8) . .
O1O Na5 O1C 98.20(8) . .
O1P Na5 O1C 83.42(8) . .
O1O Na5 O1A 105.09(8) . .
O1P Na5 O1A 147.68(8) . .
O1C Na5 O1A 75.27(7) . .
O1O Na5 O1E 179.08(9) . .
O1P Na5 O1E 78.71(7) . .
O1C Na5 O1E 81.04(7) . .
O1A Na5 O1E 74.24(7) . .
O1O Na5 S8B 96.73(7) . .
O1P Na5 S8B 101.82(6) . .
O1C Na5 S8B 162.81(7) . .
O1A Na5 S8B 92.66(6) . .
O1E Na5 S8B 83.95(6) . .
O1R Na6 O1P 97.99(9) . .
O1R Na6 O1Q 99.83(10) . .
O1P Na6 O1Q 110.16(9) . .
O1R Na6 O1C 169.11(10) . .
O1P Na6 O1C 85.25(8) . .
O1Q Na6 O1C 88.70(8) . .
O1R Na6 O1D 88.01(9) . .
O1P Na6 O1D 150.03(9) . .
O1Q Na6 O1D 97.55(8) . .
O1C Na6 O1D 84.14(7) . .
O1R Na6 O1E 94.99(9) . .
O1P Na6 O1E 73.11(7) . .
O1Q Na6 O1E 164.10(8) . .
O1C Na6 O1E 75.93(7) . .
O1D Na6 O1E 77.14(7) . .
O1S Na7 O1H 101.30(10) . .
O1S Na7 O1T 95.72(10) . .
O1H Na7 O1T 111.03(9) . .
O1S Na7 O1I 171.90(10) . 1_456
O1H Na7 O1I 85.29(8) . 1_456
O1T Na7 O1I 86.17(8) . 1_456
O1S Na7 O1K 89.23(10) . 1_456
O1H Na7 O1K 147.63(9) . 1_456
O1T Na7 O1K 98.05(8) . 1_456
O1I Na7 O1K 82.71(8) 1_456 1_456
O1S Na7 O1F 101.65(9) . 1_456
O1H Na7 O1F 72.36(7) . 1_456
O1T Na7 O1F 161.33(8) . 1_456
O1I Na7 O1F 75.69(7) 1_456 1_456
O1K Na7 O1F 75.57(7) 1_456 1_456
O1U Na8 O1V 101.78(10) . .
O1U Na8 O1G 167.39(10) . 1_456
O1V Na8 O1G 90.64(9) . 1_456
O1U Na8 O1L 98.25(9) . 1_456
O1V Na8 O1L 107.74(9) . 1_456
O1G Na8 O1L 79.77(8) 1_456 1_456
O1U Na8 O1F 90.99(9) . 1_456
O1V Na8 O1F 164.31(9) . 1_456
O1G Na8 O1F 76.39(7) 1_456 1_456
O1L Na8 O1F 78.97(7) 1_456 1_456
O1U Na8 S7A 86.23(7) . .
O1V Na8 S7A 90.74(7) . .
O1G Na8 S7A 91.48(6) 1_456 .
O1L Na8 S7A 159.49(7) 1_456 .
O1F Na8 S7A 80.96(6) 1_456 .
C2A O1A Na4 130.37(19) . .
C2A O1A Na1 110.44(18) . .
Na4 O1A Na1 85.19(7) . .
C2A O1A Na5 134.56(19) . .
Na4 O1A Na5 91.20(8) . .
Na1 O1A Na5 87.36(7) . .
O1A C2A N3A 125.5(3) . .
O1A C2A H2A 117.3 . .
N3A C2A H2A 117.3 . .
C2A N3A C4A 122.1(2) . .
C2A N3A C5A 121.3(3) . .
C4A N3A C5A 116.6(2) . .
N3A C4A H4A1 109.5 . .
N3A C4A H4A2 109.5 . .
H4A1 C4A H4A2 109.5 . .
N3A C4A H4A3 109.5 . .
H4A1 C4A H4A3 109.5 . .
H4A2 C4A H4A3 109.5 . .
N3A C5A H5A1 109.5 . .
N3A C5A H5A2 109.5 . .
H5A1 C5A H5A2 109.5 . .
N3A C5A H5A3 109.5 . .
H5A1 C5A H5A3 109.5 . .
H5A2 C5A H5A3 109.5 . .
C2B O1B Na1 129.9(2) . .
C2B O1B Na4 145.0(2) . .
Na1 O1B Na4 84.61(7) . .
O1B C2B N3B 125.2(3) . .
O1B C2B H2B 117.4 . .
N3B C2B H2B 117.4 . .
C2B N3B C5B 121.7(3) . .
C2B N3B C4B 120.0(3) . .
C5B N3B C4B 118.2(3) . .
N3B C4B H4B1 109.5 . .
N3B C4B H4B2 109.5 . .
H4B1 C4B H4B2 109.5 . .
N3B C4B H4B3 109.5 . .
H4B1 C4B H4B3 109.5 . .
H4B2 C4B H4B3 109.5 . .
N3B C5B H5B1 109.5 . .
N3B C5B H5B2 109.5 . .
H5B1 C5B H5B2 109.5 . .
N3B C5B H5B3 109.5 . .
H5B1 C5B H5B3 109.5 . .
H5B2 C5B H5B3 109.5 . .
C2C O1C Na6 119.05(19) . .
C2C O1C Na5 153.45(19) . .
Na6 O1C Na5 86.31(7) . .
C2C O1C Na1 105.32(17) . .
Na6 O1C Na1 82.03(7) . .
Na5 O1C Na1 84.66(7) . .
O1C C2C N3C 126.2(3) . .
O1C C2C H2C 116.9 . .
N3C C2C H2C 116.9 . .
C2C N3C C4C 122.6(2) . .
C2C N3C C5C 121.5(3) . .
C4C N3C C5C 115.8(2) . .
N3C C4C H4C1 109.5 . .
N3C C4C H4C2 109.5 . .
H4C1 C4C H4C2 109.5 . .
N3C C4C H4C3 109.5 . .
H4C1 C4C H4C3 109.5 . .
H4C2 C4C H4C3 109.5 . .
N3C C5C H5C1 109.5 . .
N3C C5C H5C2 109.5 . .
H5C1 C5C H5C2 109.5 . .
N3C C5C H5C3 109.5 . .
H5C1 C5C H5C3 109.5 . .
H5C2 C5C H5C3 109.5 . .
C2D O1D Na1 124.91(19) . .
C2D O1D Na6 135.3(2) . .
Na1 O1D Na6 83.93(7) . .
O1D C2D N3D 126.4(3) . .
O1D C2D H2D 116.8 . .
N3D C2D H2D 116.8 . .
C2D N3D C4D 121.2(3) . .
C2D N3D C5D 122.0(3) . .
C4D N3D C5D 116.5(3) . .
N3D C4D H4D1 109.5 . .
N3D C4D H4D2 109.5 . .
H4D1 C4D H4D2 109.5 . .
N3D C4D H4D3 109.5 . .
H4D1 C4D H4D3 109.5 . .
H4D2 C4D H4D3 109.5 . .
N3D C5D H5D1 109.5 . .
N3D C5D H5D2 109.5 . .
H5D1 C5D H5D2 109.5 . .
N3D C5D H5D3 109.5 . .
H5D1 C5D H5D3 109.5 . .
H5D2 C5D H5D3 109.5 . .
C2E O1E Na1 150.97(18) . .
C2E O1E Na5 118.35(17) . .
Na1 O1E Na5 89.61(7) . .
C2E O1E Na4 107.00(17) . .
Na1 O1E Na4 81.97(7) . .
Na5 O1E Na4 84.15(7) . .
C2E O1E Na6 99.06(17) . .
Na1 O1E Na6 78.67(7) . .
Na5 O1E Na6 77.01(7) . .
Na4 O1E Na6 152.93(8) . .
O1E C2E N3E 125.5(3) . .
O1E C2E H2E 117.2 . .
N3E C2E H2E 117.2 . .
C2E N3E C5E 122.1(2) . .
C2E N3E C4E 121.5(3) . .
C5E N3E C4E 116.4(2) . .
N3E C4E H4E1 109.5 . .
N3E C4E H4E2 109.5 . .
H4E1 C4E H4E2 109.5 . .
N3E C4E H4E3 109.5 . .
H4E1 C4E H4E3 109.5 . .
H4E2 C4E H4E3 109.5 . .
N3E C5E H5E1 109.5 . .
N3E C5E H5E2 109.5 . .
H5E1 C5E H5E2 109.5 . .
N3E C5E H5E3 109.5 . .
H5E1 C5E H5E3 109.5 . .
H5E2 C5E H5E3 109.5 . .
C2F O1F Na3 151.01(18) . .
C2F O1F Na2 121.25(17) . 1_654
Na3 O1F Na2 87.72(7) . 1_654
C2F O1F Na8 102.88(17) . 1_654
Na3 O1F Na8 81.27(7) . 1_654
Na2 O1F Na8 80.81(7) 1_654 1_654
C2F O1F Na7 105.66(18) . 1_654
Na3 O1F Na7 78.15(7) . 1_654
Na2 O1F Na7 76.95(7) 1_654 1_654
Na8 O1F Na7 150.10(8) 1_654 1_654
O1F C2F N3F 125.7(3) . .
O1F C2F H2F 117.2 . .
N3F C2F H2F 117.2 . .
C2F N3F C5F 122.4(2) . .
C2F N3F C4F 120.6(3) . .
C5F N3F C4F 116.7(2) . .
N3F C4F H4F1 109.5 . .
N3F C4F H4F2 109.5 . .
H4F1 C4F H4F2 109.5 . .
N3F C4F H4F3 109.5 . .
H4F1 C4F H4F3 109.5 . .
H4F2 C4F H4F3 109.5 . .
N3F C5F H5F1 109.5 . .
N3F C5F H5F2 109.5 . .
H5F1 C5F H5F2 109.5 . .
N3F C5F H5F3 109.5 . .
H5F1 C5F H5F3 109.5 . .
H5F2 C5F H5F3 109.5 . .
C2G O1G Na8 128.24(19) . 1_654
C2G O1G Na3 108.88(17) . .
Na8 O1G Na3 85.27(7) 1_654 .
C2G O1G Na2 141.03(19) . 1_654
Na8 O1G Na2 87.76(8) 1_654 1_654
Na3 O1G Na2 85.74(7) . 1_654
O1G C2G N3G 126.1(3) . .
O1G C2G H2G 116.9 . .
N3G C2G H2G 116.9 . .
C2G N3G C4G 121.7(3) . .
C2G N3G C5G 121.1(3) . .
C4G N3G C5G 117.2(2) . .
N3G C4G H4G1 109.5 . .
N3G C4G H4G2 109.5 . .
H4G1 C4G H4G2 109.5 . .
N3G C4G H4G3 109.5 . .
H4G1 C4G H4G3 109.5 . .
H4G2 C4G H4G3 109.5 . .
N3G C5G H5G1 109.5 . .
N3G C5G H5G2 109.5 . .
H5G1 C5G H5G2 109.5 . .
N3G C5G H5G3 109.5 . .
H5G1 C5G H5G3 109.5 . .
H5G2 C5G H5G3 109.5 . .
C2H O1H Na2 128.4(2) . .
C2H O1H Na7 142.2(2) . .
Na2 O1H Na7 89.02(8) . .
O1H C2H N3H 124.6(3) . .
O1H C2H H2H 117.7 . .
N3H C2H H2H 117.7 . .
C2H N3H C4H 121.3(3) . .
C2H N3H C5H 122.2(3) . .
C4H N3H C5H 116.1(2) . .
N3H C4H H4H1 109.5 . .
N3H C4H H4H2 109.5 . .
H4H1 C4H H4H2 109.5 . .
N3H C4H H4H3 109.5 . .
H4H1 C4H H4H3 109.5 . .
H4H2 C4H H4H3 109.5 . .
N3H C5H H5H1 109.5 . .
N3H C5H H5H2 109.5 . .
H5H1 C5H H5H2 109.5 . .
N3H C5H H5H3 109.5 . .
H5H1 C5H H5H3 109.5 . .
H5H2 C5H H5H3 109.5 . .
C2I O1I Na7 118.95(18) . 1_654
C2I O1I Na2 154.36(19) . 1_654
Na7 O1I Na2 85.51(7) 1_654 1_654
C2I O1I Na3 104.66(17) . .
Na7 O1I Na3 83.27(7) 1_654 .
Na2 O1I Na3 84.56(7) 1_654 .
O1I C2I N3I 126.3(3) . .
O1I C2I H2I 116.9 . .
N3I C2I H2I 116.9 . .
C2I N3I C5I 121.9(3) . .
C2I N3I C4I 123.1(2) . .
C5I N3I C4I 114.9(2) . .
N3I C4I H4I1 109.5 . .
N3I C4I H4I2 109.5 . .
H4I1 C4I H4I2 109.5 . .
N3I C4I H4I3 109.5 . .
H4I1 C4I H4I3 109.5 . .
H4I2 C4I H4I3 109.5 . .
N3I C5I H5I1 109.5 . .
N3I C5I H5I2 109.5 . .
H5I1 C5I H5I2 109.5 . .
N3I C5I H5I3 109.5 . .
H5I1 C5I H5I3 109.5 . .
H5I2 C5I H5I3 109.5 . .
C2J O1J Na2 160.4(2) . .
O1J C2J N3J 125.0(3) . .
O1J C2J H2J 117.5 . .
N3J C2J H2J 117.5 . .
C2J N3J C5J 120.7(3) . .
C2J N3J C4J 121.3(3) . .
C5J N3J C4J 117.9(2) . .
N3J C4J H4J1 109.5 . .
N3J C4J H4J2 109.5 . .
H4J1 C4J H4J2 109.5 . .
N3J C4J H4J3 109.5 . .
H4J1 C4J H4J3 109.5 . .
H4J2 C4J H4J3 109.5 . .
N3J C5J H5J1 109.5 . .
N3J C5J H5J2 109.5 . .
H5J1 C5J H5J2 109.5 . .
N3J C5J H5J3 109.5 . .
H5J1 C5J H5J3 109.5 . .
H5J2 C5J H5J3 109.5 . .
C2K O1K Na3 129.6(2) . .
C2K O1K Na7 135.2(2) . 1_654
Na3 O1K Na7 84.57(7) . 1_654
O1K C2K N3K 126.7(3) . .
O1K C2K H2K 116.7 . .
N3K C2K H2K 116.7 . .
C2K N3K C4K 122.1(3) . .
C2K N3K C5K 121.2(3) . .
C4K N3K C5K 116.2(3) . .
N3K C4K H4K1 109.5 . .
N3K C4K H4K2 109.5 . .
H4K1 C4K H4K2 109.5 . .
N3K C4K H4K3 109.5 . .
H4K1 C4K H4K3 109.5 . .
H4K2 C4K H4K3 109.5 . .
N3K C5K H5K1 109.5 . .
N3K C5K H5K2 109.5 . .
H5K1 C5K H5K2 109.5 . .
N3K C5K H5K3 109.5 . .
H5K1 C5K H5K3 109.5 . .
H5K2 C5K H5K3 109.5 . .
C2L O1L Na3 127.5(2) . .
C2L O1L Na8 146.9(2) . 1_654
Na3 O1L Na8 84.68(7) . 1_654
O1L C2L N3L 125.4(3) . .
O1L C2L H2L 117.3 . .
N3L C2L H2L 117.3 . .
C2L N3L C5L 122.0(3) . .
C2L N3L C4L 120.9(3) . .
C5L N3L C4L 116.9(2) . .
N3L C4L H4L1 109.5 . .
N3L C4L H4L2 109.5 . .
H4L1 C4L H4L2 109.5 . .
N3L C4L H4L3 109.5 . .
H4L1 C4L H4L3 109.5 . .
H4L2 C4L H4L3 109.5 . .
N3L C5L H5L1 109.5 . .
N3L C5L H5L2 109.5 . .
H5L1 C5L H5L2 109.5 . .
N3L C5L H5L3 109.5 . .
H5L1 C5L H5L3 109.5 . .
H5L2 C5L H5L3 109.5 . .
C2M O1M Na4 147.5(2) . .
O1M C2M N3M 126.1(3) . .
O1M C2M H2M 116.9 . .
N3M C2M H2M 116.9 . .
C2M N3M C4M 121.5(3) . .
C2M N3M C5M 120.3(3) . .
C4M N3M C5M 117.8(3) . .
N3M C4M H4M1 109.5 . .
N3M C4M H4M2 109.5 . .
H4M1 C4M H4M2 109.5 . .
N3M C4M H4M3 109.5 . .
H4M1 C4M H4M3 109.5 . .
H4M2 C4M H4M3 109.5 . .
N3M C5M H5M1 109.5 . .
N3M C5M H5M2 109.5 . .
H5M1 C5M H5M2 109.5 . .
N3M C5M H5M3 109.5 . .
H5M1 C5M H5M3 109.5 . .
H5M2 C5M H5M3 109.5 . .
C2N O1N Na4 123.0(2) . .
O1N C2N N3N 125.6(3) . .
O1N C2N H2N 117.2 . .
N3N C2N H2N 117.2 . .
C2N N3N C4N 121.8(3) . .
C2N N3N C5N 121.5(3) . .
C4N N3N C5N 116.7(2) . .
N3N C4N H4N1 109.5 . .
N3N C4N H4N2 109.5 . .
H4N1 C4N H4N2 109.5 . .
N3N C4N H4N3 109.5 . .
H4N1 C4N H4N3 109.5 . .
H4N2 C4N H4N3 109.5 . .
N3N C5N H5N1 109.5 . .
N3N C5N H5N2 109.5 . .
H5N1 C5N H5N2 109.5 . .
N3N C5N H5N3 109.5 . .
H5N1 C5N H5N3 109.5 . .
H5N2 C5N H5N3 109.5 . .
C2O O1O Na5 165.9(2) . .
O1O C2O N3O 124.8(3) . .
O1O C2O H2O 117.6 . .
N3O C2O H2O 117.6 . .
C2O N3O C5O 121.1(3) . .
C2O N3O C4O 120.3(2) . .
C5O N3O C4O 118.2(2) . .
N3O C4O H4O1 109.5 . .
N3O C4O H4O2 109.5 . .
H4O1 C4O H4O2 109.5 . .
N3O C4O H4O3 109.5 . .
H4O1 C4O H4O3 109.5 . .
H4O2 C4O H4O3 109.5 . .
N3O C5O H5O1 109.5 . .
N3O C5O H5O2 109.5 . .
H5O1 C5O H5O2 109.5 . .
N3O C5O H5O3 109.5 . .
H5O1 C5O H5O3 109.5 . .
H5O2 C5O H5O3 109.5 . .
C2P O1P Na6 142.18(19) . .
C2P O1P Na5 128.49(19) . .
Na6 O1P Na5 88.75(8) . .
O1P C2P N3P 125.0(3) . .
O1P C2P H2P 117.5 . .
N3P C2P H2P 117.5 . .
C2P N3P C4P 121.9(2) . .
C2P N3P C5P 121.6(3) . .
C4P N3P C5P 116.2(2) . .
N3P C4P H4P1 109.5 . .
N3P C4P H4P2 109.5 . .
H4P1 C4P H4P2 109.5 . .
N3P C4P H4P3 109.5 . .
H4P1 C4P H4P3 109.5 . .
H4P2 C4P H4P3 109.5 . .
N3P C5P H5P1 109.5 . .
N3P C5P H5P2 109.5 . .
H5P1 C5P H5P2 109.5 . .
N3P C5P H5P3 109.5 . .
H5P1 C5P H5P3 109.5 . .
H5P2 C5P H5P3 109.5 . .
C2Q O1Q Na6 112.5(2) . .
O1Q C2Q N3Q 126.0(3) . .
O1Q C2Q H2Q 117.0 . .
N3Q C2Q H2Q 117.0 . .
C2Q N3Q C5Q 121.6(3) . .
C2Q N3Q C4Q 122.1(3) . .
C5Q N3Q C4Q 116.3(2) . .
N3Q C4Q H4Q1 109.5 . .
N3Q C4Q H4Q2 109.5 . .
H4Q1 C4Q H4Q2 109.5 . .
N3Q C4Q H4Q3 109.5 . .
H4Q1 C4Q H4Q3 109.5 . .
H4Q2 C4Q H4Q3 109.5 . .
N3Q C5Q H5Q1 109.5 . .
N3Q C5Q H5Q2 109.5 . .
H5Q1 C5Q H5Q2 109.5 . .
N3Q C5Q H5Q3 109.5 . .
H5Q1 C5Q H5Q3 109.5 . .
H5Q2 C5Q H5Q3 109.5 . .
C2R O1R Na6 129.7(2) . .
O1R C2R N3R 125.8(3) . .
O1R C2R H2R 117.1 . .
N3R C2R H2R 117.1 . .
C2R N3R C4R 121.2(3) . .
C2R N3R C5R 121.7(3) . .
C4R N3R C5R 117.0(3) . .
N3R C4R H4R1 109.5 . .
N3R C4R H4R2 109.5 . .
H4R1 C4R H4R2 109.5 . .
N3R C4R H4R3 109.5 . .
H4R1 C4R H4R3 109.5 . .
H4R2 C4R H4R3 109.5 . .
N3R C5R H5R1 109.5 . .
N3R C5R H5R2 109.5 . .
H5R1 C5R H5R2 109.5 . .
N3R C5R H5R3 109.5 . .
H5R1 C5R H5R3 109.5 . .
H5R2 C5R H5R3 109.5 . .
C2S O1S Na7 139.7(3) . .
O1S C2S N3S 125.4(4) . .
O1S C2S H2S 117.3 . .
N3S C2S H2S 117.3 . .
C2S N3S C4S 121.0(3) . .
C2S N3S C5S 121.5(3) . .
C4S N3S C5S 117.4(3) . .
N3S C4S H4S1 109.5 . .
N3S C4S H4S2 109.5 . .
H4S1 C4S H4S2 109.5 . .
N3S C4S H4S3 109.5 . .
H4S1 C4S H4S3 109.5 . .
H4S2 C4S H4S3 109.5 . .
N3S C5S H5S1 109.5 . .
N3S C5S H5S2 109.5 . .
H5S1 C5S H5S2 109.5 . .
N3S C5S H5S3 109.5 . .
H5S1 C5S H5S3 109.5 . .
H5S2 C5S H5S3 109.5 . .
C2T O1T Na7 113.7(2) . .
O1T C2T N3T 126.0(3) . .
O1T C2T H2T 117.0 . .
N3T C2T H2T 117.0 . .
C2T N3T C5T 121.6(3) . .
C2T N3T C4T 121.8(3) . .
C5T N3T C4T 116.6(2) . .
N3T C4T H4T1 109.5 . .
N3T C4T H4T2 109.5 . .
H4T1 C4T H4T2 109.5 . .
N3T C4T H4T3 109.5 . .
H4T1 C4T H4T3 109.5 . .
H4T2 C4T H4T3 109.5 . .
N3T C5T H5T1 109.5 . .
N3T C5T H5T2 109.5 . .
H5T1 C5T H5T2 109.5 . .
N3T C5T H5T3 109.5 . .
H5T1 C5T H5T3 109.5 . .
H5T2 C5T H5T3 109.5 . .
C2U O1U Na8 140.9(2) . .
O1U C2U N3U 124.8(3) . .
O1U C2U H2U 117.6 . .
N3U C2U H2U 117.6 . .
C2U N3U C4U 120.5(3) . .
C2U N3U C5U 122.1(3) . .
C4U N3U C5U 117.4(3) . .
N3U C4U H4U1 109.5 . .
N3U C4U H4U2 109.5 . .
H4U1 C4U H4U2 109.5 . .
N3U C4U H4U3 109.5 . .
H4U1 C4U H4U3 109.5 . .
H4U2 C4U H4U3 109.5 . .
N3U C5U H5U1 109.5 . .
N3U C5U H5U2 109.5 . .
H5U1 C5U H5U2 109.5 . .
N3U C5U H5U3 109.5 . .
H5U1 C5U H5U3 109.5 . .
H5U2 C5U H5U3 109.5 . .
C2V O1V Na8 121.6(2) . .
O1V C2V N3V 126.1(3) . .
O1V C2V H2V 116.9 . .
N3V C2V H2V 116.9 . .
C2V N3V C4V 121.7(3) . .
C2V N3V C5V 121.7(3) . .
C4V N3V C5V 116.4(3) . .
N3V C4V H4V1 109.5 . .
N3V C4V H4V2 109.5 . .
H4V1 C4V H4V2 109.5 . .
N3V C4V H4V3 109.5 . .
H4V1 C4V H4V3 109.5 . .
H4V2 C4V H4V3 109.5 . .
N3V C5V H5V1 109.5 . .
N3V C5V H5V2 109.5 . .
H5V1 C5V H5V2 109.5 . .
N3V C5V H5V3 109.5 . .
H5V1 C5V H5V3 109.5 . .
H5V2 C5V H5V3 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 S1A 2.1550(10) .
Cu1 S4A 2.1617(10) .
Cu1 Cu4 2.7082(7) .
Cu1 Cu8 2.7836(7) .
Cu1 Cu5 2.8906(8) .
Cu1 Cu2 3.0007(8) .
Cu2 S1A 2.1501(10) .
Cu2 S2A 2.1507(10) .
Cu2 Cu3 2.7256(7) .
Cu2 Cu6 2.8263(9) .
Cu2 Cu5 2.8582(8) .
Cu3 S3A 2.1588(10) .
Cu3 S2A 2.1735(10) .
Cu3 Cu6 2.8078(8) .
Cu3 Cu7 2.8886(7) .
Cu3 Cu4 2.9887(9) .
Cu4 S3A 2.1537(10) .
Cu4 S4A 2.1702(10) .
Cu4 Cu8 2.7787(8) .
Cu4 Cu7 2.8191(8) .
Cu5 S5A 2.1489(10) .
Cu5 S1A 2.1527(10) .
Cu5 Cu9 2.7731(7) .
Cu5 Cu10 2.8203(9) .
Cu6 S6A 2.1594(11) .
Cu6 S2A 2.1640(10) .
Cu6 Cu10 2.7874(8) .
Cu6 Cu11 2.9470(8) .
Cu7 S3A 2.1639(10) .
Cu7 S7A 2.1730(10) .
Cu7 Cu11 2.7810(8) .
Cu7 Cu12 2.8047(8) .
Cu8 S8A 2.1564(10) .
Cu8 S4A 2.1705(10) .
Cu8 Cu12 2.8597(9) .
Cu8 Cu9 2.9017(8) .
Cu9 S8A 2.1545(9) .
Cu9 S5A 2.1673(10) .
Cu9 Cu10 2.7872(8) .
Cu9 Cu12 2.9682(8) .
Cu10 S6A 2.1616(10) .
Cu10 S5A 2.1704(10) .
Cu10 Cu11 2.8848(7) .
Cu11 S6A 2.1600(10) .
Cu11 S7A 2.1755(10) .
Cu11 Cu12 2.7893(8) .
Cu12 S8A 2.1616(10) .
Cu12 S7A 2.1735(9) .
S1A Na1 2.7324(14) .
S7A Na2 2.9923(15) .
S7A Na8 3.2408(15) .
Cu13 S4B 2.1576(10) .
Cu13 S1B 2.1660(10) .
Cu13 Cu17 2.7425(8) .
Cu13 Cu14 2.8284(7) .
Cu13 Cu16 2.8568(8) .
Cu13 Cu20 3.0254(8) .
Cu14 S1B 2.1470(10) .
Cu14 S2B 2.1584(10) .
Cu14 Cu18 2.8144(8) .
Cu14 Cu17 2.8616(9) .
Cu14 Cu15 2.8714(8) .
Cu15 S2B 2.1589(10) .
Cu15 S3B 2.1615(10) .
Cu15 Cu19 2.7067(7) .
Cu15 Cu16 2.8441(7) .
Cu15 Cu18 3.0188(8) .
Cu16 S3B 2.1599(10) .
Cu16 S4B 2.1607(10) .
Cu16 Cu20 2.8046(9) .
Cu16 Cu19 2.8717(8) .
Cu17 S5B 2.1667(10) .
Cu17 S1B 2.1715(10) .
Cu17 Cu22 2.7545(8) .
Cu17 Cu21 2.9234(7) .
Cu18 S2B 2.1560(9) .
Cu18 S6B 2.1579(10) .
Cu18 Cu23 2.6830(7) .
Cu18 Cu22 2.8673(9) .
Cu19 S7B 2.1652(10) .
Cu19 S3B 2.1759(10) .
Cu19 Cu24 2.7824(9) .
Cu19 Cu23 2.9963(8) .
Cu20 S4B 2.1681(10) .
Cu20 S8B 2.1761(10) .
Cu20 Cu21 2.7462(8) .
Cu20 Cu24 2.9231(9) .
Cu21 S5B 2.1598(10) .
Cu21 S8B 2.1728(10) .
Cu21 Cu24 2.8125(8) .
Cu21 Cu22 2.8608(7) .
Cu22 S6B 2.1701(10) .
Cu22 S5B 2.1701(10) .
Cu22 Cu23 2.7936(8) .
Cu23 S7B 2.1555(10) .
Cu23 S6B 2.1800(10) .
Cu23 Cu24 2.8708(7) .
Cu24 S7B 2.1660(10) .
Cu24 S8B 2.1731(10) .
S2B Na3 2.7677(14) .
S8B Na5 2.9529(14) .
S8B Na4 3.1512(15) .
Na1 O1E 2.285(2) .
Na1 O1B 2.362(2) .
Na1 O1D 2.385(2) .
Na1 O1A 2.426(2) .
Na1 O1C 2.558(2) .
Na2 O1J 2.208(2) .
Na2 O1H 2.348(2) .
Na2 O1G 2.447(2) 1_456
Na2 O1I 2.451(2) 1_456
Na2 O1F 2.476(2) 1_456
Na3 O1F 2.316(2) .
Na3 O1L 2.342(2) .
Na3 O1K 2.356(2) .
Na3 O1G 2.437(2) .
Na3 O1I 2.488(2) .
Na4 O1M 2.252(2) .
Na4 O1A 2.356(2) .
Na4 O1N 2.356(2) .
Na4 O1B 2.447(2) .
Na4 O1E 2.634(2) .
Na5 O1O 2.237(2) .
Na5 O1P 2.372(2) .
Na5 O1C 2.441(2) .
Na5 O1A 2.450(2) .
Na5 O1E 2.489(2) .
Na6 O1R 2.286(3) .
Na6 O1P 2.346(2) .
Na6 O1Q 2.354(2) .
Na6 O1C 2.383(2) .
Na6 O1D 2.468(2) .
Na6 O1E 2.797(2) .
Na7 O1S 2.265(3) .
Na7 O1H 2.354(2) .
Na7 O1T 2.357(2) .
Na7 O1I 2.405(2) 1_456
Na7 O1K 2.474(2) 1_456
Na7 O1F 2.806(2) 1_456
Na8 O1U 2.219(2) .
Na8 O1V 2.294(2) .
Na8 O1G 2.315(2) 1_456
Na8 O1L 2.437(2) 1_456
Na8 O1F 2.616(2) 1_456
O1A C2A 1.245(3) .
C2A N3A 1.318(4) .
C2A H2A 0.9500 .
N3A C4A 1.453(3) .
N3A C5A 1.456(4) .
C4A H4A1 0.9801 .
C4A H4A2 0.9799 .
C4A H4A3 0.9799 .
C5A H5A1 0.9801 .
C5A H5A2 0.9799 .
C5A H5A3 0.9801 .
O1B C2B 1.231(3) .
C2B N3B 1.323(4) .
C2B H2B 0.9500 .
N3B C5B 1.460(4) .
N3B C4B 1.461(4) .
C4B H4B1 0.9798 .
C4B H4B2 0.9801 .
C4B H4B3 0.9800 .
C5B H5B1 0.9802 .
C5B H5B2 0.9799 .
C5B H5B3 0.9799 .
O1C C2C 1.247(3) .
C2C N3C 1.322(4) .
C2C H2C 0.9500 .
N3C C4C 1.458(4) .
N3C C5C 1.462(3) .
C4C H4C1 0.9800 .
C4C H4C2 0.9800 .
C4C H4C3 0.9801 .
C5C H5C1 0.9799 .
C5C H5C2 0.9800 .
C5C H5C3 0.9800 .
O1D C2D 1.232(3) .
C2D N3D 1.325(4) .
C2D H2D 0.9500 .
N3D C4D 1.450(4) .
N3D C5D 1.454(4) .
C4D H4D1 0.9800 .
C4D H4D2 0.9800 .
C4D H4D3 0.9801 .
C5D H5D1 0.9799 .
C5D H5D2 0.9800 .
C5D H5D3 0.9800 .
O1E C2E 1.255(3) .
C2E N3E 1.311(3) .
C2E H2E 0.9500 .
N3E C5E 1.448(3) .
N3E C4E 1.456(4) .
C4E H4E1 0.9800 .
C4E H4E2 0.9799 .
C4E H4E3 0.9800 .
C5E H5E1 0.9801 .
C5E H5E2 0.9800 .
C5E H5E3 0.9800 .
O1F C2F 1.252(3) .
O1F Na2 2.476(2) 1_654
O1F Na8 2.616(2) 1_654
O1F Na7 2.806(2) 1_654
C2F N3F 1.317(4) .
C2F H2F 0.9500 .
N3F C5F 1.449(3) .
N3F C4F 1.458(4) .
C4F H4F1 0.9800 .
C4F H4F2 0.9801 .
C4F H4F3 0.9800 .
C5F H5F1 0.9801 .
C5F H5F2 0.9800 .
C5F H5F3 0.9801 .
O1G C2G 1.244(3) .
O1G Na8 2.315(2) 1_654
O1G Na2 2.447(2) 1_654
C2G N3G 1.320(4) .
C2G H2G 0.9500 .
N3G C4G 1.456(3) .
N3G C5G 1.457(4) .
C4G H4G1 0.9800 .
C4G H4G2 0.9799 .
C4G H4G3 0.9799 .
C5G H5G1 0.9799 .
C5G H5G2 0.9801 .
C5G H5G3 0.9799 .
O1H C2H 1.239(3) .
C2H N3H 1.319(4) .
C2H H2H 0.9500 .
N3H C4H 1.455(4) .
N3H C5H 1.460(3) .
C4H H4H1 0.9800 .
C4H H4H2 0.9801 .
C4H H4H3 0.9800 .
C5H H5H1 0.9800 .
C5H H5H2 0.9800 .
C5H H5H3 0.9801 .
O1I C2I 1.242(3) .
O1I Na7 2.405(2) 1_654
O1I Na2 2.451(2) 1_654
C2I N3I 1.322(4) .
C2I H2I 0.9500 .
N3I C5I 1.460(3) .
N3I C4I 1.464(4) .
C4I H4I1 0.9799 .
C4I H4I2 0.9802 .
C4I H4I3 0.9800 .
C5I H5I1 0.9800 .
C5I H5I2 0.9801 .
C5I H5I3 0.9800 .
O1J C2J 1.235(3) .
C2J N3J 1.325(4) .
C2J H2J 0.9500 .
N3J C5J 1.455(4) .
N3J C4J 1.459(4) .
C4J H4J1 0.9798 .
C4J H4J2 0.9801 .
C4J H4J3 0.9801 .
C5J H5J1 0.9801 .
C5J H5J2 0.9801 .
C5J H5J3 0.9801 .
O1K C2K 1.239(3) .
O1K Na7 2.475(2) 1_654
C2K N3K 1.324(4) .
C2K H2K 0.9500 .
N3K C4K 1.444(4) .
N3K C5K 1.459(4) .
C4K H4K1 0.9800 .
C4K H4K2 0.9800 .
C4K H4K3 0.9801 .
C5K H5K1 0.9800 .
C5K H5K2 0.9800 .
C5K H5K3 0.9799 .
O1L C2L 1.234(3) .
O1L Na8 2.437(2) 1_654
C2L N3L 1.322(4) .
C2L H2L 0.9500 .
N3L C5L 1.457(4) .
N3L C4L 1.464(4) .
C4L H4L1 0.9800 .
C4L H4L2 0.9800 .
C4L H4L3 0.9800 .
C5L H5L1 0.9801 .
C5L H5L2 0.9800 .
C5L H5L3 0.9799 .
O1M C2M 1.237(3) .
C2M N3M 1.318(4) .
C2M H2M 0.9500 .
N3M C4M 1.452(4) .
N3M C5M 1.457(4) .
C4M H4M1 0.9800 .
C4M H4M2 0.9799 .
C4M H4M3 0.9800 .
C5M H5M1 0.9800 .
C5M H5M2 0.9801 .
C5M H5M3 0.9800 .
O1N C2N 1.236(3) .
C2N N3N 1.325(4) .
C2N H2N 0.9500 .
N3N C4N 1.457(4) .
N3N C5N 1.462(4) .
C4N H4N1 0.9800 .
C4N H4N2 0.9800 .
C4N H4N3 0.9799 .
C5N H5N1 0.9799 .
C5N H5N2 0.9800 .
C5N H5N3 0.9800 .
O1O C2O 1.232(3) .
C2O N3O 1.329(4) .
C2O H2O 0.9500 .
N3O C5O 1.456(4) .
N3O C4O 1.456(4) .
C4O H4O1 0.9800 .
C4O H4O2 0.9800 .
C4O H4O3 0.9801 .
C5O H5O1 0.9800 .
C5O H5O2 0.9800 .
C5O H5O3 0.9799 .
O1P C2P 1.240(3) .
C2P N3P 1.322(4) .
C2P H2P 0.9500 .
N3P C4P 1.454(4) .
N3P C5P 1.458(3) .
C4P H4P1 0.9800 .
C4P H4P2 0.9799 .
C4P H4P3 0.9799 .
C5P H5P1 0.9800 .
C5P H5P2 0.9800 .
C5P H5P3 0.9800 .
O1Q C2Q 1.230(4) .
C2Q N3Q 1.331(4) .
C2Q H2Q 0.9500 .
N3Q C5Q 1.457(4) .
N3Q C4Q 1.461(4) .
C4Q H4Q1 0.9799 .
C4Q H4Q2 0.9800 .
C4Q H4Q3 0.9801 .
C5Q H5Q1 0.9800 .
C5Q H5Q2 0.9800 .
C5Q H5Q3 0.9801 .
O1R C2R 1.229(4) .
C2R N3R 1.320(4) .
C2R H2R 0.9500 .
N3R C4R 1.432(4) .
N3R C5R 1.452(4) .
C4R H4R1 0.9799 .
C4R H4R2 0.9802 .
C4R H4R3 0.9800 .
C5R H5R1 0.9799 .
C5R H5R2 0.9799 .
C5R H5R3 0.9801 .
O1S C2S 1.224(4) .
C2S N3S 1.325(4) .
C2S H2S 0.9500 .
N3S C4S 1.439(4) .
N3S C5S 1.454(4) .
C4S H4S1 0.9800 .
C4S H4S2 0.9801 .
C4S H4S3 0.9800 .
C5S H5S1 0.9800 .
C5S H5S2 0.9799 .
C5S H5S3 0.9799 .
O1T C2T 1.226(4) .
C2T N3T 1.337(4) .
C2T H2T 0.9500 .
N3T C5T 1.455(4) .
N3T C4T 1.462(4) .
C4T H4T1 0.9801 .
C4T H4T2 0.9801 .
C4T H4T3 0.9799 .
C5T H5T1 0.9800 .
C5T H5T2 0.9800 .
C5T H5T3 0.9798 .
O1U C2U 1.232(3) .
C2U N3U 1.320(4) .
C2U H2U 0.9500 .
N3U C4U 1.452(4) .
N3U C5U 1.454(4) .
C4U H4U1 0.9799 .
C4U H4U2 0.9801 .
C4U H4U3 0.9799 .
C5U H5U1 0.9799 .
C5U H5U2 0.9800 .
C5U H5U3 0.9800 .
O1V C2V 1.229(3) .
C2V N3V 1.321(4) .
C2V H2V 0.9500 .
N3V C4V 1.453(4) .
N3V C5V 1.460(4) .
C4V H4V1 0.9802 .
C4V H4V2 0.9800 .
C4V H4V3 0.9800 .
C5V H5V1 0.9800 .
C5V H5V2 0.9800 .
C5V H5V3 0.9800 .
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_4
S4A Cu1 Cu2 S1A 170.08(5) . .
Cu4 Cu1 Cu2 S1A 175.06(3) . .
Cu8 Cu1 Cu2 S1A -128.88(4) . .
Cu5 Cu1 Cu2 S1A -60.21(4) . .
S1A Cu1 Cu2 S2A -168.47(6) . .
S4A Cu1 Cu2 S2A 1.61(7) . .
Cu4 Cu1 Cu2 S2A 6.60(5) . .
Cu8 Cu1 Cu2 S2A 62.65(5) . .
Cu5 Cu1 Cu2 S2A 131.32(5) . .
S1A Cu1 Cu2 Cu3 -173.75(3) . .
S4A Cu1 Cu2 Cu3 -3.67(5) . .
Cu4 Cu1 Cu2 Cu3 1.315(16) . .
Cu8 Cu1 Cu2 Cu3 57.37(2) . .
Cu5 Cu1 Cu2 Cu3 126.04(2) . .
S1A Cu1 Cu2 Cu6 130.63(4) . .
S4A Cu1 Cu2 Cu6 -59.29(5) . .
Cu4 Cu1 Cu2 Cu6 -54.30(2) . .
Cu8 Cu1 Cu2 Cu6 1.75(3) . .
Cu5 Cu1 Cu2 Cu6 70.42(2) . .
S1A Cu1 Cu2 Cu5 60.21(4) . .
S4A Cu1 Cu2 Cu5 -129.71(5) . .
Cu4 Cu1 Cu2 Cu5 -124.72(2) . .
Cu8 Cu1 Cu2 Cu5 -68.67(2) . .
S1A Cu2 Cu3 S3A -0.62(6) . .
S2A Cu2 Cu3 S3A -169.97(5) . .
Cu6 Cu2 Cu3 S3A 130.64(4) . .
Cu5 Cu2 Cu3 S3A 59.19(5) . .
Cu1 Cu2 Cu3 S3A 5.77(4) . .
S1A Cu2 Cu3 S2A 169.35(5) . .
Cu6 Cu2 Cu3 S2A -59.39(3) . .
Cu5 Cu2 Cu3 S2A -130.84(4) . .
Cu1 Cu2 Cu3 S2A 175.74(3) . .
S1A Cu2 Cu3 Cu6 -131.26(4) . .
S2A Cu2 Cu3 Cu6 59.39(3) . .
Cu5 Cu2 Cu3 Cu6 -71.45(2) . .
Cu1 Cu2 Cu3 Cu6 -124.864(17) . .
S1A Cu2 Cu3 Cu7 -59.16(5) . .
S2A Cu2 Cu3 Cu7 131.49(4) . .
Cu6 Cu2 Cu3 Cu7 72.10(2) . .
Cu5 Cu2 Cu3 Cu7 0.65(3) . .
Cu1 Cu2 Cu3 Cu7 -52.77(2) . .
S1A Cu2 Cu3 Cu4 -7.59(4) . .
S2A Cu2 Cu3 Cu4 -176.94(3) . .
Cu6 Cu2 Cu3 Cu4 123.673(17) . .
Cu5 Cu2 Cu3 Cu4 52.22(2) . .
Cu1 Cu2 Cu3 Cu4 -1.191(14) . .
S1A Cu1 Cu4 S3A -4.61(6) . .
S4A Cu1 Cu4 S3A 166.35(5) . .
Cu8 Cu1 Cu4 S3A -133.18(4) . .
Cu5 Cu1 Cu4 S3A -62.33(4) . .
Cu2 Cu1 Cu4 S3A -9.64(4) . .
S1A Cu1 Cu4 S4A -170.97(5) . .
Cu8 Cu1 Cu4 S4A 60.47(3) . .
Cu5 Cu1 Cu4 S4A 131.31(3) . .
Cu2 Cu1 Cu4 S4A -176.00(3) . .
S1A Cu1 Cu4 Cu8 128.56(4) . .
S4A Cu1 Cu4 Cu8 -60.47(3) . .
Cu5 Cu1 Cu4 Cu8 70.84(2) . .
Cu2 Cu1 Cu4 Cu8 123.53(2) . .
S1A Cu1 Cu4 Cu7 57.75(4) . .
S4A Cu1 Cu4 Cu7 -131.28(3) . .
Cu8 Cu1 Cu4 Cu7 -70.81(2) . .
Cu5 Cu1 Cu4 Cu7 0.03(3) . .
Cu2 Cu1 Cu4 Cu7 52.72(2) . .
S1A Cu1 Cu4 Cu3 3.83(4) . .
S4A Cu1 Cu4 Cu3 174.80(3) . .
Cu8 Cu1 Cu4 Cu3 -124.73(2) . .
Cu5 Cu1 Cu4 Cu3 -53.89(2) . .
Cu2 Cu1 Cu4 Cu3 -1.199(14) . .
S2A Cu3 Cu4 S3A 169.51(6) . .
Cu2 Cu3 Cu4 S3A 173.21(3) . .
Cu6 Cu3 Cu4 S3A -130.13(4) . .
Cu7 Cu3 Cu4 S3A -61.15(3) . .
S3A Cu3 Cu4 S4A -165.39(5) . .
S2A Cu3 Cu4 S4A 4.12(7) . .
Cu2 Cu3 Cu4 S4A 7.82(5) . .
Cu6 Cu3 Cu4 S4A 64.48(5) . .
Cu7 Cu3 Cu4 S4A 133.45(5) . .
S3A Cu3 Cu4 Cu1 -171.89(3) . .
S2A Cu3 Cu4 Cu1 -2.38(5) . .
Cu2 Cu3 Cu4 Cu1 1.320(16) . .
Cu6 Cu3 Cu4 Cu1 57.98(3) . .
Cu7 Cu3 Cu4 Cu1 126.958(18) . .
S3A Cu3 Cu4 Cu8 131.92(4) . .
S2A Cu3 Cu4 Cu8 -58.57(5) . .
Cu2 Cu3 Cu4 Cu8 -54.87(3) . .
Cu6 Cu3 Cu4 Cu8 1.79(3) . .
Cu7 Cu3 Cu4 Cu8 70.77(2) . .
S3A Cu3 Cu4 Cu7 61.15(3) . .
S2A Cu3 Cu4 Cu7 -129.34(5) . .
Cu2 Cu3 Cu4 Cu7 -125.638(18) . .
Cu6 Cu3 Cu4 Cu7 -68.98(2) . .
S1A Cu2 Cu5 S5A -166.43(5) . .
S2A Cu2 Cu5 S5A 3.36(6) . .
Cu3 Cu2 Cu5 S5A 67.75(5) . .
Cu6 Cu2 Cu5 S5A 11.96(4) . .
Cu1 Cu2 Cu5 S5A 137.16(4) . .
S2A Cu2 Cu5 S1A 169.79(5) . .
Cu3 Cu2 Cu5 S1A -125.82(4) . .
Cu6 Cu2 Cu5 S1A 178.39(3) . .
Cu1 Cu2 Cu5 S1A -56.41(3) . .
S1A Cu2 Cu5 Cu9 129.40(4) . .
S2A Cu2 Cu5 Cu9 -60.81(5) . .
Cu3 Cu2 Cu5 Cu9 3.58(3) . .
Cu6 Cu2 Cu5 Cu9 -52.21(2) . .
Cu1 Cu2 Cu5 Cu9 72.99(2) . .
S1A Cu2 Cu5 Cu10 -178.45(3) . .
S2A Cu2 Cu5 Cu10 -8.66(4) . .
Cu3 Cu2 Cu5 Cu10 55.73(2) . .
Cu6 Cu2 Cu5 Cu10 -0.063(15) . .
Cu1 Cu2 Cu5 Cu10 125.138(17) . .
S1A Cu2 Cu5 Cu1 56.41(3) . .
S2A Cu2 Cu5 Cu1 -133.80(4) . .
Cu3 Cu2 Cu5 Cu1 -69.41(3) . .
Cu6 Cu2 Cu5 Cu1 -125.201(17) . .
S1A Cu1 Cu5 S5A 171.17(5) . .
S4A Cu1 Cu5 S5A 1.00(6) . .
Cu4 Cu1 Cu5 S5A -62.12(5) . .
Cu8 Cu1 Cu5 S5A -6.59(4) . .
Cu2 Cu1 Cu5 S5A -131.81(5) . .
S4A Cu1 Cu5 S1A -170.17(5) . .
Cu4 Cu1 Cu5 S1A 126.70(4) . .
Cu8 Cu1 Cu5 S1A -177.76(3) . .
Cu2 Cu1 Cu5 S1A 57.02(3) . .
S1A Cu1 Cu5 Cu9 177.21(3) . .
S4A Cu1 Cu5 Cu9 7.04(4) . .
Cu4 Cu1 Cu5 Cu9 -56.08(3) . .
Cu8 Cu1 Cu5 Cu9 -0.546(15) . .
Cu2 Cu1 Cu5 Cu9 -125.765(18) . .
S1A Cu1 Cu5 Cu10 -127.48(4) . .
S4A Cu1 Cu5 Cu10 62.35(5) . .
Cu4 Cu1 Cu5 Cu10 -0.78(3) . .
Cu8 Cu1 Cu5 Cu10 54.76(3) . .
Cu2 Cu1 Cu5 Cu10 -70.46(2) . .
S1A Cu1 Cu5 Cu2 -57.02(3) . .
S4A Cu1 Cu5 Cu2 132.81(4) . .
Cu4 Cu1 Cu5 Cu2 69.68(2) . .
Cu8 Cu1 Cu5 Cu2 125.219(18) . .
S3A Cu3 Cu6 S6A 2.41(6) . .
S2A Cu3 Cu6 S6A -169.36(5) . .
Cu2 Cu3 Cu6 S6A 129.73(4) . .
Cu7 Cu3 Cu6 S6A 5.89(4) . .
Cu4 Cu3 Cu6 S6A 57.66(4) . .
S3A Cu3 Cu6 S2A 171.77(5) . .
Cu2 Cu3 Cu6 S2A -60.92(3) . .
Cu7 Cu3 Cu6 S2A 175.25(3) . .
Cu4 Cu3 Cu6 S2A -132.99(4) . .
S3A Cu3 Cu6 Cu10 -58.19(5) . .
S2A Cu3 Cu6 Cu10 130.04(4) . .
Cu2 Cu3 Cu6 Cu10 69.12(2) . .
Cu7 Cu3 Cu6 Cu10 -54.71(2) . .
Cu4 Cu3 Cu6 Cu10 -2.95(3) . .
S3A Cu3 Cu6 Cu2 -127.32(4) . .
S2A Cu3 Cu6 Cu2 60.92(3) . .
Cu7 Cu3 Cu6 Cu2 -123.83(2) . .
Cu4 Cu3 Cu6 Cu2 -72.07(2) . .
S3A Cu3 Cu6 Cu11 -2.83(4) . .
S2A Cu3 Cu6 Cu11 -174.59(3) . .
Cu2 Cu3 Cu6 Cu11 124.49(2) . .
Cu7 Cu3 Cu6 Cu11 0.655(14) . .
Cu4 Cu3 Cu6 Cu11 52.42(2) . .
S1A Cu2 Cu6 S6A 1.40(6) . .
S2A Cu2 Cu6 S6A 172.15(5) . .
Cu3 Cu2 Cu6 S6A -125.45(4) . .
Cu5 Cu2 Cu6 S6A -0.43(4) . .
Cu1 Cu2 Cu6 S6A -54.35(5) . .
S1A Cu2 Cu6 S2A -170.75(5) . .
Cu3 Cu2 Cu6 S2A 62.40(3) . .
Cu5 Cu2 Cu6 S2A -172.58(3) . .
Cu1 Cu2 Cu6 S2A 133.50(4) . .
S1A Cu2 Cu6 Cu10 1.89(4) . .
S2A Cu2 Cu6 Cu10 172.64(3) . .
Cu3 Cu2 Cu6 Cu10 -124.954(18) . .
Cu5 Cu2 Cu6 Cu10 0.063(15) . .
Cu1 Cu2 Cu6 Cu10 -53.85(3) . .
S1A Cu2 Cu6 Cu3 126.85(4) . .
S2A Cu2 Cu6 Cu3 -62.40(3) . .
Cu5 Cu2 Cu6 Cu3 125.018(18) . .
Cu1 Cu2 Cu6 Cu3 71.10(2) . .
S1A Cu2 Cu6 Cu11 57.30(5) . .
S2A Cu2 Cu6 Cu11 -131.95(4) . .
Cu3 Cu2 Cu6 Cu11 -69.55(2) . .
Cu5 Cu2 Cu6 Cu11 55.47(3) . .
Cu1 Cu2 Cu6 Cu11 1.55(3) . .
S4A Cu4 Cu7 S3A 168.45(5) . .
Cu1 Cu4 Cu7 S3A -125.98(4) . .
Cu8 Cu4 Cu7 S3A 178.36(3) . .
Cu3 Cu4 Cu7 S3A -56.38(3) . .
S3A Cu4 Cu7 S7A -165.58(5) . .
S4A Cu4 Cu7 S7A 2.86(6) . .
Cu1 Cu4 Cu7 S7A 68.43(5) . .
Cu8 Cu4 Cu7 S7A 12.77(4) . .
Cu3 Cu4 Cu7 S7A 138.04(4) . .
S3A Cu4 Cu7 Cu11 129.55(4) . .
S4A Cu4 Cu7 Cu11 -62.00(5) . .
Cu1 Cu4 Cu7 Cu11 3.57(3) . .
Cu8 Cu4 Cu7 Cu11 -52.09(2) . .
Cu3 Cu4 Cu7 Cu11 73.17(2) . .
S3A Cu4 Cu7 Cu12 -176.58(3) . .
S4A Cu4 Cu7 Cu12 -8.13(4) . .
Cu1 Cu4 Cu7 Cu12 57.43(2) . .
Cu8 Cu4 Cu7 Cu12 1.773(15) . .
Cu3 Cu4 Cu7 Cu12 127.04(2) . .
S3A Cu4 Cu7 Cu3 56.38(3) . .
S4A Cu4 Cu7 Cu3 -135.17(4) . .
Cu1 Cu4 Cu7 Cu3 -69.61(2) . .
Cu8 Cu4 Cu7 Cu3 -125.26(2) . .
S2A Cu3 Cu7 S3A -171.34(5) . .
Cu2 Cu3 Cu7 S3A 126.46(4) . .
Cu6 Cu3 Cu7 S3A -176.87(3) . .
Cu4 Cu3 Cu7 S3A 57.86(3) . .
S3A Cu3 Cu7 S7A 165.91(5) . .
S2A Cu3 Cu7 S7A -5.44(6) . .
Cu2 Cu3 Cu7 S7A -67.64(5) . .
Cu6 Cu3 Cu7 S7A -10.96(4) . .
Cu4 Cu3 Cu7 S7A -136.23(4) . .
S3A Cu3 Cu7 Cu11 176.17(3) . .
S2A Cu3 Cu7 Cu11 4.83(4) . .
Cu2 Cu3 Cu7 Cu11 -57.37(2) . .
Cu6 Cu3 Cu7 Cu11 -0.694(15) . .
Cu4 Cu3 Cu7 Cu11 -125.962(18) . .
S3A Cu3 Cu7 Cu12 -129.34(4) . .
S2A Cu3 Cu7 Cu12 59.32(5) . .
Cu2 Cu3 Cu7 Cu12 -2.88(3) . .
Cu6 Cu3 Cu7 Cu12 53.79(2) . .
Cu4 Cu3 Cu7 Cu12 -71.47(2) . .
S3A Cu3 Cu7 Cu4 -57.86(3) . .
S2A Cu3 Cu7 Cu4 130.80(4) . .
Cu2 Cu3 Cu7 Cu4 68.60(2) . .
Cu6 Cu3 Cu7 Cu4 125.268(18) . .
S3A Cu4 Cu8 S8A -0.30(6) . .
S4A Cu4 Cu8 S8A 169.49(5) . .
Cu1 Cu4 Cu8 S8A -128.61(4) . .
Cu7 Cu4 Cu8 S8A -2.23(4) . .
Cu3 Cu4 Cu8 S8A -56.74(5) . .
S3A Cu4 Cu8 S4A -169.79(5) . .
Cu1 Cu4 Cu8 S4A 61.90(3) . .
Cu7 Cu4 Cu8 S4A -171.72(3) . .
Cu3 Cu4 Cu8 S4A 133.78(3) . .
S3A Cu4 Cu8 Cu1 128.31(5) . .
S4A Cu4 Cu8 Cu1 -61.90(3) . .
Cu7 Cu4 Cu8 Cu1 126.37(2) . .
Cu3 Cu4 Cu8 Cu1 71.87(2) . .
S3A Cu4 Cu8 Cu12 0.20(4) . .
S4A Cu4 Cu8 Cu12 169.98(3) . .
Cu1 Cu4 Cu8 Cu12 -128.11(2) . .
Cu7 Cu4 Cu8 Cu12 -1.739(15) . .
Cu3 Cu4 Cu8 Cu12 -56.24(2) . .
S3A Cu4 Cu8 Cu9 57.63(5) . .
S4A Cu4 Cu8 Cu9 -132.59(3) . .
Cu1 Cu4 Cu8 Cu9 -70.68(2) . .
Cu7 Cu4 Cu8 Cu9 55.69(2) . .
Cu3 Cu4 Cu8 Cu9 1.19(3) . .
S1A Cu1 Cu8 S8A 2.62(6) . .
S4A Cu1 Cu8 S8A -168.45(5) . .
Cu4 Cu1 Cu8 S8A 129.15(4) . .
Cu5 Cu1 Cu8 S8A 5.05(4) . .
Cu2 Cu1 Cu8 S8A 57.25(4) . .
S1A Cu1 Cu8 S4A 171.07(5) . .
Cu4 Cu1 Cu8 S4A -62.40(3) . .
Cu5 Cu1 Cu8 S4A 173.50(3) . .
Cu2 Cu1 Cu8 S4A -134.31(3) . .
S1A Cu1 Cu8 Cu4 -126.53(4) . .
S4A Cu1 Cu8 Cu4 62.40(3) . .
Cu5 Cu1 Cu8 Cu4 -124.10(2) . .
Cu2 Cu1 Cu8 Cu4 -71.91(2) . .
S1A Cu1 Cu8 Cu12 -58.96(4) . .
S4A Cu1 Cu8 Cu12 129.97(3) . .
Cu4 Cu1 Cu8 Cu12 67.57(2) . .
Cu5 Cu1 Cu8 Cu12 -56.53(2) . .
Cu2 Cu1 Cu8 Cu12 -4.34(3) . .
S1A Cu1 Cu8 Cu9 -1.91(4) . .
S4A Cu1 Cu8 Cu9 -172.97(3) . .
Cu4 Cu1 Cu8 Cu9 124.62(2) . .
Cu5 Cu1 Cu8 Cu9 0.522(14) . .
Cu2 Cu1 Cu8 Cu9 52.72(2) . .
S5A Cu5 Cu9 S8A 171.79(5) . .
S1A Cu5 Cu9 S8A -0.14(6) . .
Cu10 Cu5 Cu9 S8A -127.67(4) . .
Cu2 Cu5 Cu9 S8A -61.68(5) . .
Cu1 Cu5 Cu9 S8A -3.29(4) . .
S1A Cu5 Cu9 S5A -171.93(5) . .
Cu10 Cu5 Cu9 S5A 60.54(3) . .
Cu2 Cu5 Cu9 S5A 126.53(4) . .
Cu1 Cu5 Cu9 S5A -175.08(3) . .
S5A Cu5 Cu9 Cu10 -60.54(3) . .
S1A Cu5 Cu9 Cu10 127.53(4) . .
Cu2 Cu5 Cu9 Cu10 65.99(2) . .
Cu1 Cu5 Cu9 Cu10 124.379(18) . .
S5A Cu5 Cu9 Cu8 175.61(3) . .
S1A Cu5 Cu9 Cu8 3.67(4) . .
Cu10 Cu5 Cu9 Cu8 -123.855(18) . .
Cu2 Cu5 Cu9 Cu8 -57.86(2) . .
Cu1 Cu5 Cu9 Cu8 0.524(14) . .
S5A Cu5 Cu9 Cu12 -131.98(4) . .
S1A Cu5 Cu9 Cu12 56.08(5) . .
Cu10 Cu5 Cu9 Cu12 -71.44(2) . .
Cu2 Cu5 Cu9 Cu12 -5.45(3) . .
Cu1 Cu5 Cu9 Cu12 52.93(2) . .
S4A Cu8 Cu9 S8A 167.54(5) . .
Cu4 Cu8 Cu9 S8A -130.69(4) . .
Cu1 Cu8 Cu9 S8A 175.92(3) . .
Cu12 Cu8 Cu9 S8A -58.07(3) . .
S8A Cu8 Cu9 S5A -171.39(5) . .
S4A Cu8 Cu9 S5A -3.85(6) . .
Cu4 Cu8 Cu9 S5A 57.92(5) . .
Cu1 Cu8 Cu9 S5A 4.53(4) . .
Cu12 Cu8 Cu9 S5A 130.54(4) . .
S8A Cu8 Cu9 Cu5 -176.46(3) . .
S4A Cu8 Cu9 Cu5 -8.92(4) . .
Cu4 Cu8 Cu9 Cu5 52.85(2) . .
Cu1 Cu8 Cu9 Cu5 -0.544(15) . .
Cu12 Cu8 Cu9 Cu5 125.47(2) . .
S8A Cu8 Cu9 Cu10 127.73(4) . .
S4A Cu8 Cu9 Cu10 -64.73(5) . .
Cu4 Cu8 Cu9 Cu10 -2.96(3) . .
Cu1 Cu8 Cu9 Cu10 -56.35(2) . .
Cu12 Cu8 Cu9 Cu10 69.66(2) . .
S8A Cu8 Cu9 Cu12 58.07(3) . .
S4A Cu8 Cu9 Cu12 -134.39(4) . .
Cu4 Cu8 Cu9 Cu12 -72.62(2) . .
Cu1 Cu8 Cu9 Cu12 -126.01(2) . .
S8A Cu9 Cu10 S6A -6.31(6) . .
S5A Cu9 Cu10 S6A 165.12(5) . .
Cu5 Cu9 Cu10 S6A -134.83(4) . .
Cu8 Cu9 Cu10 S6A -63.75(5) . .
Cu12 Cu9 Cu10 S6A -10.83(4) . .
S8A Cu9 Cu10 S5A -171.43(5) . .
Cu5 Cu9 Cu10 S5A 60.04(3) . .
Cu8 Cu9 Cu10 S5A 131.12(4) . .
Cu12 Cu9 Cu10 S5A -175.96(3) . .
S8A Cu9 Cu10 Cu6 59.28(5) . .
S5A Cu9 Cu10 Cu6 -129.29(4) . .
Cu5 Cu9 Cu10 Cu6 -69.25(2) . .
Cu8 Cu9 Cu10 Cu6 1.83(3) . .
Cu12 Cu9 Cu10 Cu6 54.75(3) . .
S8A Cu9 Cu10 Cu5 128.52(4) . .
S5A Cu9 Cu10 Cu5 -60.04(3) . .
Cu8 Cu9 Cu10 Cu5 71.08(2) . .
Cu12 Cu9 Cu10 Cu5 123.999(18) . .
S8A Cu9 Cu10 Cu11 2.71(4) . .
S5A Cu9 Cu10 Cu11 174.15(3) . .
Cu5 Cu9 Cu10 Cu11 -125.810(17) . .
Cu8 Cu9 Cu10 Cu11 -54.73(3) . .
Cu12 Cu9 Cu10 Cu11 -1.811(15) . .
S2A Cu6 Cu10 S6A -171.32(5) . .
Cu3 Cu6 Cu10 S6A 128.12(3) . .
Cu2 Cu6 Cu10 S6A -179.58(3) . .
Cu11 Cu6 Cu10 S6A 56.87(3) . .
S6A Cu6 Cu10 S5A 166.80(5) . .
S2A Cu6 Cu10 S5A -4.52(6) . .
Cu3 Cu6 Cu10 S5A -65.08(5) . .
Cu2 Cu6 Cu10 S5A -12.78(4) . .
Cu11 Cu6 Cu10 S5A -136.33(4) . .
S6A Cu6 Cu10 Cu9 -126.94(4) . .
S2A Cu6 Cu10 Cu9 61.74(5) . .
Cu3 Cu6 Cu10 Cu9 1.18(3) . .
Cu2 Cu6 Cu10 Cu9 53.48(2) . .
Cu11 Cu6 Cu10 Cu9 -70.07(3) . .
S6A Cu6 Cu10 Cu5 179.51(3) . .
S2A Cu6 Cu10 Cu5 8.19(4) . .
Cu3 Cu6 Cu10 Cu5 -52.36(2) . .
Cu2 Cu6 Cu10 Cu5 -0.064(15) . .
Cu11 Cu6 Cu10 Cu5 -123.62(2) . .
S6A Cu6 Cu10 Cu11 -56.87(3) . .
S2A Cu6 Cu10 Cu11 131.81(4) . .
Cu3 Cu6 Cu10 Cu11 71.25(2) . .
Cu2 Cu6 Cu10 Cu11 123.55(2) . .
S5A Cu5 Cu10 S6A -168.50(5) . .
S1A Cu5 Cu10 S6A -1.02(6) . .
Cu9 Cu5 Cu10 S6A 129.82(5) . .
Cu2 Cu5 Cu10 S6A 0.66(5) . .
Cu1 Cu5 Cu10 S6A 57.76(5) . .
S1A Cu5 Cu10 S5A 167.48(5) . .
Cu9 Cu5 Cu10 S5A -61.68(3) . .
Cu2 Cu5 Cu10 S5A 169.16(3) . .
Cu1 Cu5 Cu10 S5A -133.74(4) . .
S5A Cu5 Cu10 Cu9 61.68(3) . .
S1A Cu5 Cu10 Cu9 -130.84(4) . .
Cu2 Cu5 Cu10 Cu9 -129.16(2) . .
Cu1 Cu5 Cu10 Cu9 -72.07(2) . .
S5A Cu5 Cu10 Cu6 -169.10(3) . .
S1A Cu5 Cu10 Cu6 -1.62(4) . .
Cu9 Cu5 Cu10 Cu6 129.22(2) . .
Cu2 Cu5 Cu10 Cu6 0.063(15) . .
Cu1 Cu5 Cu10 Cu6 57.16(2) . .
S5A Cu5 Cu10 Cu11 131.86(4) . .
S1A Cu5 Cu10 Cu11 -60.66(4) . .
Cu9 Cu5 Cu10 Cu11 70.18(2) . .
Cu2 Cu5 Cu10 Cu11 -58.98(2) . .
Cu1 Cu5 Cu10 Cu11 -1.88(3) . .
S3A Cu7 Cu11 S6A 0.52(6) . .
S7A Cu7 Cu11 S6A 167.76(5) . .
Cu12 Cu7 Cu11 S6A -131.46(4) . .
Cu4 Cu7 Cu11 S6A -62.49(5) . .
Cu3 Cu7 Cu11 S6A -3.83(4) . .
S3A Cu7 Cu11 S7A -167.24(5) . .
Cu12 Cu7 Cu11 S7A 60.79(3) . .
Cu4 Cu7 Cu11 S7A 129.75(4) . .
Cu3 Cu7 Cu11 S7A -171.58(3) . .
S3A Cu7 Cu11 Cu12 131.98(4) . .
S7A Cu7 Cu11 Cu12 -60.79(3) . .
Cu4 Cu7 Cu11 Cu12 68.97(2) . .
Cu3 Cu7 Cu11 Cu12 127.630(18) . .
S3A Cu7 Cu11 Cu10 56.99(5) . .
S7A Cu7 Cu11 Cu10 -135.77(4) . .
Cu12 Cu7 Cu11 Cu10 -74.99(2) . .
Cu4 Cu7 Cu11 Cu10 -6.02(3) . .
Cu3 Cu7 Cu11 Cu10 52.64(2) . .
S3A Cu7 Cu11 Cu6 5.01(4) . .
S7A Cu7 Cu11 Cu6 172.25(3) . .
Cu12 Cu7 Cu11 Cu6 -126.968(18) . .
Cu4 Cu7 Cu11 Cu6 -58.00(3) . .
Cu3 Cu7 Cu11 Cu6 0.661(14) . .
S5A Cu10 Cu11 S6A -164.89(5) . .
Cu9 Cu10 Cu11 S6A -171.88(3) . .
Cu6 Cu10 Cu11 S6A 59.23(4) . .
Cu5 Cu10 Cu11 S6A 134.15(4) . .
S6A Cu10 Cu11 S7A 172.04(6) . .
S5A Cu10 Cu11 S7A 7.14(7) . .
Cu9 Cu10 Cu11 S7A 0.16(5) . .
Cu6 Cu10 Cu11 S7A -128.73(5) . .
Cu5 Cu10 Cu11 S7A -53.82(5) . .
S6A Cu10 Cu11 Cu7 -128.99(4) . .
S5A Cu10 Cu11 Cu7 66.11(5) . .
Cu9 Cu10 Cu11 Cu7 59.12(2) . .
Cu6 Cu10 Cu11 Cu7 -69.76(2) . .
Cu5 Cu10 Cu11 Cu7 5.15(3) . .
S6A Cu10 Cu11 Cu12 173.81(3) . .
S5A Cu10 Cu11 Cu12 8.91(4) . .
Cu9 Cu10 Cu11 Cu12 1.927(15) . .
Cu6 Cu10 Cu11 Cu12 -126.96(2) . .
Cu5 Cu10 Cu11 Cu12 -52.05(2) . .
S6A Cu10 Cu11 Cu6 -59.23(4) . .
S5A Cu10 Cu11 Cu6 135.87(5) . .
Cu9 Cu10 Cu11 Cu6 128.89(2) . .
Cu5 Cu10 Cu11 Cu6 74.91(2) . .
S2A Cu6 Cu11 S6A 168.75(5) . .
Cu10 Cu6 Cu11 S6A -61.11(3) . .
Cu3 Cu6 Cu11 S6A 175.06(3) . .
Cu2 Cu6 Cu11 S6A -132.44(4) . .
S6A Cu6 Cu11 S7A -166.68(5) . .
S2A Cu6 Cu11 S7A 2.06(6) . .
Cu10 Cu6 Cu11 S7A 132.21(4) . .
Cu3 Cu6 Cu11 S7A 8.37(4) . .
Cu2 Cu6 Cu11 S7A 60.88(5) . .
S6A Cu6 Cu11 Cu7 -175.74(3) . .
S2A Cu6 Cu11 Cu7 -6.99(4) . .
Cu10 Cu6 Cu11 Cu7 123.15(2) . .
Cu3 Cu6 Cu11 Cu7 -0.680(14) . .
Cu2 Cu6 Cu11 Cu7 51.83(2) . .
S6A Cu6 Cu11 Cu12 130.00(4) . .
S2A Cu6 Cu11 Cu12 -61.26(5) . .
Cu10 Cu6 Cu11 Cu12 68.89(2) . .
Cu3 Cu6 Cu11 Cu12 -54.95(2) . .
Cu2 Cu6 Cu11 Cu12 -2.44(3) . .
S6A Cu6 Cu11 Cu10 61.11(3) . .
S2A Cu6 Cu11 Cu10 -130.14(4) . .
Cu3 Cu6 Cu11 Cu10 -123.84(2) . .
Cu2 Cu6 Cu11 Cu10 -71.33(2) . .
S6A Cu11 Cu12 S8A -1.10(6) . .
S7A Cu11 Cu12 S8A 170.42(5) . .
Cu7 Cu11 Cu12 S8A -128.60(4) . .
Cu10 Cu11 Cu12 S8A -8.14(4) . .
Cu6 Cu11 Cu12 S8A -59.71(4) . .
S6A Cu11 Cu12 S7A -171.52(5) . .
Cu7 Cu11 Cu12 S7A 60.98(4) . .
Cu10 Cu11 Cu12 S7A -178.55(3) . .
Cu6 Cu11 Cu12 S7A 129.87(4) . .
S6A Cu11 Cu12 Cu7 127.50(5) . .
S7A Cu11 Cu12 Cu7 -60.98(3) . .
Cu10 Cu11 Cu12 Cu7 120.46(2) . .
Cu6 Cu11 Cu12 Cu7 68.89(2) . .
S6A Cu11 Cu12 Cu8 58.59(5) . .
S7A Cu11 Cu12 Cu8 -129.89(3) . .
Cu7 Cu11 Cu12 Cu8 -68.91(2) . .
Cu10 Cu11 Cu12 Cu8 51.55(2) . .
Cu6 Cu11 Cu12 Cu8 -0.02(3) . .
S6A Cu11 Cu12 Cu9 5.22(4) . .
S7A Cu11 Cu12 Cu9 176.74(3) . .
Cu7 Cu11 Cu12 Cu9 -122.27(2) . .
Cu10 Cu11 Cu12 Cu9 -1.810(14) . .
Cu6 Cu11 Cu12 Cu9 -53.38(2) . .
S3A Cu7 Cu12 S8A -7.13(6) . .
S7A Cu7 Cu12 S8A -173.79(5) . .
Cu11 Cu7 Cu12 S8A 124.72(4) . .
Cu4 Cu7 Cu12 S8A -3.18(4) . .
Cu3 Cu7 Cu12 S8A 54.59(5) . .
S3A Cu7 Cu12 S7A 166.65(5) . .
Cu11 Cu7 Cu12 S7A -61.49(3) . .
Cu4 Cu7 Cu12 S7A 170.61(3) . .
Cu3 Cu7 Cu12 S7A -131.62(4) . .
S3A Cu7 Cu12 Cu11 -131.86(4) . .
S7A Cu7 Cu12 Cu11 61.49(3) . .
Cu4 Cu7 Cu12 Cu11 -127.902(18) . .
Cu3 Cu7 Cu12 Cu11 -70.14(3) . .
S3A Cu7 Cu12 Cu8 -5.68(4) . .
S7A Cu7 Cu12 Cu8 -172.33(3) . .
Cu11 Cu7 Cu12 Cu8 126.179(18) . .
Cu4 Cu7 Cu12 Cu8 -1.723(14) . .
Cu3 Cu7 Cu12 Cu8 56.04(2) . .
S3A Cu7 Cu12 Cu9 -60.76(5) . .
S7A Cu7 Cu12 Cu9 132.58(4) . .
Cu11 Cu7 Cu12 Cu9 71.10(2) . .
Cu4 Cu7 Cu12 Cu9 -56.81(2) . .
Cu3 Cu7 Cu12 Cu9 0.96(3) . .
S4A Cu8 Cu12 S8A -167.78(5) . .
Cu4 Cu8 Cu12 S8A -179.56(3) . .
Cu1 Cu8 Cu12 S8A 128.61(4) . .
Cu9 Cu8 Cu12 S8A 56.75(3) . .
S8A Cu8 Cu12 S7A 172.49(5) . .
S4A Cu8 Cu12 S7A 4.71(6) . .
Cu4 Cu8 Cu12 S7A -7.07(4) . .
Cu1 Cu8 Cu12 S7A -58.91(5) . .
Cu9 Cu8 Cu12 S7A -130.76(4) . .
S8A Cu8 Cu12 Cu11 -125.08(4) . .
S4A Cu8 Cu12 Cu11 67.15(5) . .
Cu4 Cu8 Cu12 Cu11 55.36(3) . .
Cu1 Cu8 Cu12 Cu11 3.53(3) . .
Cu9 Cu8 Cu12 Cu11 -68.32(2) . .
S8A Cu8 Cu12 Cu7 -178.69(3) . .
S4A Cu8 Cu12 Cu7 13.53(4) . .
Cu4 Cu8 Cu12 Cu7 1.748(15) . .
Cu1 Cu8 Cu12 Cu7 -50.08(3) . .
Cu9 Cu8 Cu12 Cu7 -121.935(18) . .
S8A Cu8 Cu12 Cu9 -56.75(3) . .
S4A Cu8 Cu12 Cu9 135.47(4) . .
Cu4 Cu8 Cu12 Cu9 123.682(18) . .
Cu1 Cu8 Cu12 Cu9 71.85(2) . .
S5A Cu9 Cu12 S8A 170.91(5) . .
Cu5 Cu9 Cu12 S8A -128.34(4) . .
Cu10 Cu9 Cu12 S8A 175.68(3) . .
Cu8 Cu9 Cu12 S8A -59.71(3) . .
S8A Cu9 Cu12 S7A -170.02(5) . .
S5A Cu9 Cu12 S7A 0.89(6) . .
Cu5 Cu9 Cu12 S7A 61.64(5) . .
Cu10 Cu9 Cu12 S7A 5.66(4) . .
Cu8 Cu9 Cu12 S7A 130.27(4) . .
S8A Cu9 Cu12 Cu11 -173.81(3) . .
S5A Cu9 Cu12 Cu11 -2.90(4) . .
Cu5 Cu9 Cu12 Cu11 57.85(3) . .
Cu10 Cu9 Cu12 Cu11 1.873(15) . .
Cu8 Cu9 Cu12 Cu11 126.481(17) . .
S8A Cu9 Cu12 Cu7 131.47(4) . .
S5A Cu9 Cu12 Cu7 -57.62(5) . .
Cu5 Cu9 Cu12 Cu7 3.13(3) . .
Cu10 Cu9 Cu12 Cu7 -52.85(2) . .
Cu8 Cu9 Cu12 Cu7 71.76(2) . .
S8A Cu9 Cu12 Cu8 59.71(3) . .
S5A Cu9 Cu12 Cu8 -129.38(4) . .
Cu5 Cu9 Cu12 Cu8 -68.63(2) . .
Cu10 Cu9 Cu12 Cu8 -124.608(17) . .
S2A Cu2 S1A Cu5 -139.9(2) . .
Cu3 Cu2 S1A Cu5 93.37(4) . .
Cu6 Cu2 S1A Cu5 -2.44(5) . .
Cu1 Cu2 S1A Cu5 84.45(3) . .
S2A Cu2 S1A Cu1 135.7(2) . .
Cu3 Cu2 S1A Cu1 8.93(5) . .
Cu6 Cu2 S1A Cu1 -86.89(4) . .
Cu5 Cu2 S1A Cu1 -84.45(3) . .
S2A Cu2 S1A Na1 -3.6(2) . .
Cu3 Cu2 S1A Na1 -130.33(4) . .
Cu6 Cu2 S1A Na1 133.85(4) . .
Cu5 Cu2 S1A Na1 136.30(5) . .
Cu1 Cu2 S1A Na1 -139.26(6) . .
S5A Cu5 S1A Cu2 121.54(18) . .
Cu9 Cu5 S1A Cu2 -93.28(4) . .
Cu10 Cu5 S1A Cu2 2.25(5) . .
Cu1 Cu5 S1A Cu2 -89.03(3) . .
S5A Cu5 S1A Cu1 -149.43(18) . .
Cu9 Cu5 S1A Cu1 -4.25(5) . .
Cu10 Cu5 S1A Cu1 91.28(4) . .
Cu2 Cu5 S1A Cu1 89.03(3) . .
S5A Cu5 S1A Na1 -0.9(2) . .
Cu9 Cu5 S1A Na1 144.27(5) . .
Cu10 Cu5 S1A Na1 -120.21(5) . .
Cu2 Cu5 S1A Na1 -122.46(7) . .
Cu1 Cu5 S1A Na1 148.51(7) . .
Cu4 Cu1 S1A Cu2 -7.03(5) . .
Cu8 Cu1 S1A Cu2 86.66(4) . .
Cu5 Cu1 S1A Cu2 83.38(3) . .
Cu4 Cu1 S1A Cu5 -90.41(4) . .
Cu8 Cu1 S1A Cu5 3.28(5) . .
Cu2 Cu1 S1A Cu5 -83.38(3) . .
Cu4 Cu1 S1A Na1 120.77(5) . .
Cu8 Cu1 S1A Na1 -145.54(5) . .
Cu5 Cu1 S1A Na1 -148.82(7) . .
Cu2 Cu1 S1A Na1 127.80(7) . .
S1A Cu2 S2A Cu6 144.0(2) . .
Cu3 Cu2 S2A Cu6 -82.12(3) . .
Cu5 Cu2 S2A Cu6 11.38(5) . .
Cu1 Cu2 S2A Cu6 -88.89(5) . .
S1A Cu2 S2A Cu3 -133.9(2) . .
Cu6 Cu2 S2A Cu3 82.12(3) . .
Cu5 Cu2 S2A Cu3 93.50(4) . .
Cu1 Cu2 S2A Cu3 -6.77(5) . .
Cu10 Cu6 S2A Cu2 -10.99(5) . .
Cu3 Cu6 S2A Cu2 79.23(3) . .
Cu11 Cu6 S2A Cu2 87.51(4) . .
Cu10 Cu6 S2A Cu3 -90.23(4) . .
Cu2 Cu6 S2A Cu3 -79.23(3) . .
Cu11 Cu6 S2A Cu3 8.27(5) . .
Cu6 Cu3 S2A Cu2 -83.54(3) . .
Cu7 Cu3 S2A Cu2 -90.82(4) . .
Cu4 Cu3 S2A Cu2 4.79(5) . .
Cu2 Cu3 S2A Cu6 83.54(3) . .
Cu7 Cu3 S2A Cu6 -7.28(5) . .
Cu4 Cu3 S2A Cu6 88.33(5) . .
S4A Cu4 S3A Cu3 132.76(16) . .
Cu1 Cu4 S3A Cu3 11.74(5) . .
Cu8 Cu4 S3A Cu3 -86.68(5) . .
Cu7 Cu4 S3A Cu3 -84.13(3) . .
S4A Cu4 S3A Cu7 -143.11(16) . .
Cu1 Cu4 S3A Cu7 95.87(4) . .
Cu8 Cu4 S3A Cu7 -2.55(5) . .
Cu3 Cu4 S3A Cu7 84.13(3) . .
Cu2 Cu3 S3A Cu4 -9.69(5) . .
Cu6 Cu3 S3A Cu4 86.39(4) . .
Cu7 Cu3 S3A Cu4 81.71(3) . .
Cu2 Cu3 S3A Cu7 -91.41(4) . .
Cu6 Cu3 S3A Cu7 4.68(5) . .
Cu4 Cu3 S3A Cu7 -81.71(3) . .
S7A Cu7 S3A Cu4 134.12(15) . .
Cu11 Cu7 S3A Cu4 -94.48(4) . .
Cu12 Cu7 S3A Cu4 5.24(5) . .
Cu3 Cu7 S3A Cu4 -88.62(3) . .
S7A Cu7 S3A Cu3 -137.25(15) . .
Cu11 Cu7 S3A Cu3 -5.86(5) . .
Cu12 Cu7 S3A Cu3 93.86(4) . .
Cu4 Cu7 S3A Cu3 88.62(3) . .
Cu8 Cu1 S4A Cu4 -81.48(3) . .
Cu5 Cu1 S4A Cu4 -91.38(4) . .
Cu2 Cu1 S4A Cu4 6.38(5) . .
Cu4 Cu1 S4A Cu8 81.48(3) . .
Cu5 Cu1 S4A Cu8 -9.90(5) . .
Cu2 Cu1 S4A Cu8 87.86(5) . .
S3A Cu4 S4A Cu1 -130.28(16) . .
Cu8 Cu4 S4A Cu1 81.92(3) . .
Cu7 Cu4 S4A Cu1 94.86(4) . .
Cu3 Cu4 S4A Cu1 -8.35(5) . .
S3A Cu4 S4A Cu8 147.80(16) . .
Cu1 Cu4 S4A Cu8 -81.92(3) . .
Cu7 Cu4 S4A Cu8 12.94(5) . .
Cu3 Cu4 S4A Cu8 -90.27(5) . .
S8A Cu8 S4A Cu1 138.19(16) . .
Cu4 Cu8 S4A Cu1 -78.87(3) . .
Cu12 Cu8 S4A Cu1 -94.29(4) . .
Cu9 Cu8 S4A Cu1 10.98(5) . .
S8A Cu8 S4A Cu4 -142.93(16) . .
Cu1 Cu8 S4A Cu4 78.87(3) . .
Cu12 Cu8 S4A Cu4 -15.42(5) . .
Cu9 Cu8 S4A Cu4 89.86(4) . .
S1A Cu5 S5A Cu9 150.84(18) . .
Cu10 Cu5 S5A Cu9 -81.23(3) . .
Cu2 Cu5 S5A Cu9 -97.10(4) . .
Cu1 Cu5 S5A Cu9 7.86(5) . .
S1A Cu5 S5A Cu10 -127.93(18) . .
Cu9 Cu5 S5A Cu10 81.23(3) . .
Cu2 Cu5 S5A Cu10 -15.87(5) . .
Cu1 Cu5 S5A Cu10 89.09(5) . .
Cu10 Cu9 S5A Cu5 83.07(3) . .
Cu8 Cu9 S5A Cu5 -6.65(5) . .
Cu12 Cu9 S5A Cu5 89.30(4) . .
Cu5 Cu9 S5A Cu10 -83.07(3) . .
Cu8 Cu9 S5A Cu10 -89.72(4) . .
Cu12 Cu9 S5A Cu10 6.23(5) . .
S6A Cu10 S5A Cu5 147.44(15) . .
Cu9 Cu10 S5A Cu5 -81.21(3) . .
Cu6 Cu10 S5A Cu5 16.97(5) . .
Cu11 Cu10 S5A Cu5 -90.35(4) . .
S6A Cu10 S5A Cu9 -131.35(15) . .
Cu6 Cu10 S5A Cu9 98.18(4) . .
Cu5 Cu10 S5A Cu9 81.21(3) . .
Cu11 Cu10 S5A Cu9 -9.14(5) . .
Cu10 Cu6 S6A Cu11 84.32(3) . .
Cu3 Cu6 S6A Cu11 -7.17(5) . .
Cu2 Cu6 S6A Cu11 84.97(5) . .
Cu3 Cu6 S6A Cu10 -91.50(4) . .
Cu2 Cu6 S6A Cu10 0.65(5) . .
Cu11 Cu6 S6A Cu10 -84.32(3) . .
S7A Cu11 S6A Cu6 126.59(19) . .
Cu7 Cu11 S6A Cu6 6.15(5) . .
Cu12 Cu11 S6A Cu6 -90.16(5) . .
Cu10 Cu11 S6A Cu6 -80.70(3) . .
S7A Cu11 S6A Cu10 -152.71(18) . .
Cu7 Cu11 S6A Cu10 86.85(4) . .
Cu12 Cu11 S6A Cu10 -9.46(5) . .
Cu6 Cu11 S6A Cu10 80.70(3) . .
S5A Cu10 S6A Cu6 -139.84(15) . .
Cu9 Cu10 S6A Cu6 99.19(4) . .
Cu5 Cu10 S6A Cu6 -0.78(5) . .
Cu11 Cu10 S6A Cu6 87.03(3) . .
S5A Cu10 S6A Cu11 133.13(15) . .
Cu9 Cu10 S6A Cu11 12.16(5) . .
Cu6 Cu10 S6A Cu11 -87.03(3) . .
Cu5 Cu10 S6A Cu11 -87.81(5) . .
S3A Cu7 S7A Cu12 -138.33(15) . .
Cu11 Cu7 S7A Cu12 81.29(3) . .
Cu4 Cu7 S7A Cu12 -14.46(5) . .
Cu3 Cu7 S7A Cu12 94.69(4) . .
S3A Cu7 S7A Cu11 140.39(15) . .
Cu12 Cu7 S7A Cu11 -81.29(3) . .
Cu4 Cu7 S7A Cu11 -95.75(4) . .
Cu3 Cu7 S7A Cu11 13.40(5) . .
S3A Cu7 S7A Na2 -36.33(17) . .
Cu11 Cu7 S7A Na2 -176.71(5) . .
Cu12 Cu7 S7A Na2 102.00(4) . .
Cu4 Cu7 S7A Na2 87.54(5) . .
Cu3 Cu7 S7A Na2 -163.31(3) . .
S3A Cu7 S7A Na8 31.23(18) . .
Cu11 Cu7 S7A Na8 -109.16(4) . .
Cu12 Cu7 S7A Na8 169.55(5) . .
Cu4 Cu7 S7A Na8 155.09(3) . .
Cu3 Cu7 S7A Na8 -95.76(5) . .
Cu11 Cu12 S7A Cu7 -80.97(3) . .
Cu8 Cu12 S7A Cu7 11.58(5) . .
Cu9 Cu12 S7A Cu7 -85.91(4) . .
Cu7 Cu12 S7A Cu11 80.97(3) . .
Cu8 Cu12 S7A Cu11 92.55(4) . .
Cu9 Cu12 S7A Cu11 -4.94(5) . .
Cu11 Cu12 S7A Na2 174.21(5) . .
Cu7 Cu12 S7A Na2 -104.82(4) . .
Cu8 Cu12 S7A Na2 -93.24(5) . .
Cu9 Cu12 S7A Na2 169.27(3) . .
Cu11 Cu12 S7A Na8 142.75(18) . .
Cu7 Cu12 S7A Na8 -136.28(18) . .
Cu8 Cu12 S7A Na8 -124.70(16) . .
Cu9 Cu12 S7A Na8 137.82(15) . .
S6A Cu11 S7A Cu7 -128.81(19) . .
Cu12 Cu11 S7A Cu7 81.98(3) . .
Cu10 Cu11 S7A Cu7 84.29(5) . .
Cu6 Cu11 S7A Cu7 -11.82(5) . .
S6A Cu11 S7A Cu12 149.21(19) . .
Cu7 Cu11 S7A Cu12 -81.98(3) . .
Cu10 Cu11 S7A Cu12 2.31(5) . .
Cu6 Cu11 S7A Cu12 -93.80(4) . .
S6A Cu11 S7A Na8 -21.6(2) . .
Cu7 Cu11 S7A Na8 107.25(4) . .
Cu12 Cu11 S7A Na8 -170.76(5) . .
Cu10 Cu11 S7A Na8 -168.45(3) . .
Cu6 Cu11 S7A Na8 95.44(5) . .
Cu5 Cu9 S8A Cu8 5.16(5) . .
Cu10 Cu9 S8A Cu8 -89.43(4) . .
Cu12 Cu9 S8A Cu8 -83.20(3) . .
Cu5 Cu9 S8A Cu12 88.36(4) . .
Cu10 Cu9 S8A Cu12 -6.23(5) . .
Cu8 Cu9 S8A Cu12 83.20(3) . .
S4A Cu8 S8A Cu9 -136.24(16) . .
Cu4 Cu8 S8A Cu9 88.19(4) . .
Cu1 Cu8 S8A Cu9 -6.13(5) . .
Cu12 Cu8 S8A Cu9 87.53(3) . .
S4A Cu8 S8A Cu12 136.23(16) . .
Cu4 Cu8 S8A Cu12 0.66(5) . .
Cu1 Cu8 S8A Cu12 -93.66(4) . .
Cu9 Cu8 S8A Cu12 -87.53(3) . .
Cu11 Cu12 S8A Cu9 8.74(5) . .
Cu7 Cu12 S8A Cu9 -83.01(4) . .
Cu8 Cu12 S8A Cu9 -84.95(3) . .
Cu11 Cu12 S8A Cu8 93.70(4) . .
Cu7 Cu12 S8A Cu8 1.94(5) . .
Cu9 Cu12 S8A Cu8 84.95(3) . .
S4B Cu13 Cu14 S1B 173.18(5) . .
Cu17 Cu13 Cu14 S1B -61.18(3) . .
Cu16 Cu13 Cu14 S1B 175.27(3) . .
Cu20 Cu13 Cu14 S1B -133.21(4) . .
S4B Cu13 Cu14 S2B 1.54(6) . .
S1B Cu13 Cu14 S2B -171.64(5) . .
Cu17 Cu13 Cu14 S2B 127.18(4) . .
Cu16 Cu13 Cu14 S2B 3.63(4) . .
Cu20 Cu13 Cu14 S2B 55.15(5) . .
S4B Cu13 Cu14 Cu18 -61.19(5) . .
S1B Cu13 Cu14 Cu18 125.63(4) . .
Cu17 Cu13 Cu14 Cu18 64.45(2) . .
Cu16 Cu13 Cu14 Cu18 -59.10(2) . .
Cu20 Cu13 Cu14 Cu18 -7.58(3) . .
S4B Cu13 Cu14 Cu17 -125.64(4) . .
S1B Cu13 Cu14 Cu17 61.18(3) . .
Cu16 Cu13 Cu14 Cu17 -123.556(18) . .
Cu20 Cu13 Cu14 Cu17 -72.03(2) . .
S4B Cu13 Cu14 Cu15 -1.51(4) . .
S1B Cu13 Cu14 Cu15 -174.69(3) . .
Cu17 Cu13 Cu14 Cu15 124.128(18) . .
Cu16 Cu13 Cu14 Cu15 0.572(15) . .
Cu20 Cu13 Cu14 Cu15 52.10(2) . .
S1B Cu14 Cu15 S2B 171.08(5) . .
Cu18 Cu14 Cu15 S2B -57.34(3) . .
Cu13 Cu14 Cu15 S2B 177.32(3) . .
Cu17 Cu14 Cu15 S2B -129.80(4) . .
S1B Cu14 Cu15 S3B 0.00(6) . .
S2B Cu14 Cu15 S3B -171.08(5) . .
Cu18 Cu14 Cu15 S3B 131.58(4) . .
Cu13 Cu14 Cu15 S3B 6.23(4) . .
Cu17 Cu14 Cu15 S3B 59.12(5) . .
S1B Cu14 Cu15 Cu19 -63.82(5) . .
S2B Cu14 Cu15 Cu19 125.10(4) . .
Cu18 Cu14 Cu15 Cu19 67.76(2) . .
Cu13 Cu14 Cu15 Cu19 -57.58(3) . .
Cu17 Cu14 Cu15 Cu19 -4.70(3) . .
S1B Cu14 Cu15 Cu16 -6.81(4) . .
S2B Cu14 Cu15 Cu16 -177.89(3) . .
Cu18 Cu14 Cu15 Cu16 124.768(18) . .
Cu13 Cu14 Cu15 Cu16 -0.575(15) . .
Cu17 Cu14 Cu15 Cu16 52.31(3) . .
S1B Cu14 Cu15 Cu18 -131.58(4) . .
S2B Cu14 Cu15 Cu18 57.34(3) . .
Cu13 Cu14 Cu15 Cu18 -125.343(19) . .
Cu17 Cu14 Cu15 Cu18 -72.46(2) . .
S2B Cu15 Cu16 S3B 171.56(5) . .
Cu19 Cu15 Cu16 S3B -61.85(3) . .
Cu14 Cu15 Cu16 S3B 173.88(3) . .
Cu18 Cu15 Cu16 S3B -134.88(3) . .
S2B Cu15 Cu16 S4B 1.04(6) . .
S3B Cu15 Cu16 S4B -170.52(5) . .
Cu19 Cu15 Cu16 S4B 127.63(4) . .
Cu14 Cu15 Cu16 S4B 3.36(4) . .
Cu18 Cu15 Cu16 S4B 54.60(5) . .
S2B Cu15 Cu16 Cu20 -62.10(4) . .
S3B Cu15 Cu16 Cu20 126.34(4) . .
Cu19 Cu15 Cu16 Cu20 64.48(2) . .
Cu14 Cu15 Cu16 Cu20 -59.79(2) . .
Cu18 Cu15 Cu16 Cu20 -8.54(3) . .
S2B Cu15 Cu16 Cu13 -1.75(4) . .
S3B Cu15 Cu16 Cu13 -173.31(3) . .
Cu19 Cu15 Cu16 Cu13 124.84(2) . .
Cu14 Cu15 Cu16 Cu13 0.569(15) . .
Cu18 Cu15 Cu16 Cu13 51.81(2) . .
S2B Cu15 Cu16 Cu19 -126.58(4) . .
S3B Cu15 Cu16 Cu19 61.85(3) . .
Cu14 Cu15 Cu16 Cu19 -124.27(2) . .
Cu18 Cu15 Cu16 Cu19 -73.02(2) . .
S4B Cu13 Cu16 S3B 169.86(5) . .
S1B Cu13 Cu16 S3B -2.97(6) . .
Cu17 Cu13 Cu16 S3B -65.31(5) . .
Cu14 Cu13 Cu16 S3B -8.29(4) . .
Cu20 Cu13 Cu16 S3B -132.50(5) . .
S1B Cu13 Cu16 S4B -172.82(5) . .
Cu17 Cu13 Cu16 S4B 124.83(4) . .
Cu14 Cu13 Cu16 S4B -178.15(3) . .
Cu20 Cu13 Cu16 S4B 57.64(3) . .
S4B Cu13 Cu16 Cu20 -57.64(3) . .
S1B Cu13 Cu16 Cu20 129.54(4) . .
Cu17 Cu13 Cu16 Cu20 67.19(2) . .
Cu14 Cu13 Cu16 Cu20 124.21(2) . .
S4B Cu13 Cu16 Cu15 177.57(3) . .
S1B Cu13 Cu16 Cu15 4.75(4) . .
Cu17 Cu13 Cu16 Cu15 -57.60(2) . .
Cu14 Cu13 Cu16 Cu15 -0.577(15) . .
Cu20 Cu13 Cu16 Cu15 -124.79(2) . .
S4B Cu13 Cu16 Cu19 -130.96(4) . .
S1B Cu13 Cu16 Cu19 56.21(5) . .
Cu17 Cu13 Cu16 Cu19 -6.13(3) . .
Cu14 Cu13 Cu16 Cu19 50.89(2) . .
Cu20 Cu13 Cu16 Cu19 -73.32(2) . .
S4B Cu13 Cu17 S5B -5.75(6) . .
S1B Cu13 Cu17 S5B 165.10(5) . .
Cu14 Cu13 Cu17 S5B -136.81(4) . .
Cu16 Cu13 Cu17 S5B -64.66(5) . .
Cu20 Cu13 Cu17 S5B -14.12(4) . .
S4B Cu13 Cu17 S1B -170.85(5) . .
Cu14 Cu13 Cu17 S1B 58.09(3) . .
Cu16 Cu13 Cu17 S1B 130.24(4) . .
Cu20 Cu13 Cu17 S1B -179.22(3) . .
S4B Cu13 Cu17 Cu22 61.38(5) . .
S1B Cu13 Cu17 Cu22 -127.77(4) . .
Cu14 Cu13 Cu17 Cu22 -69.68(2) . .
Cu16 Cu13 Cu17 Cu22 2.47(3) . .
Cu20 Cu13 Cu17 Cu22 53.02(3) . .
S4B Cu13 Cu17 Cu14 131.06(4) . .
S1B Cu13 Cu17 Cu14 -58.09(3) . .
Cu16 Cu13 Cu17 Cu14 72.15(2) . .
Cu20 Cu13 Cu17 Cu14 122.692(17) . .
S4B Cu13 Cu17 Cu21 7.22(4) . .
S1B Cu13 Cu17 Cu21 178.06(3) . .
Cu14 Cu13 Cu17 Cu21 -123.843(17) . .
Cu16 Cu13 Cu17 Cu21 -51.69(2) . .
Cu20 Cu13 Cu17 Cu21 -1.151(14) . .
S1B Cu14 Cu17 S5B -167.65(5) . .
S2B Cu14 Cu17 S5B 1.32(6) . .
Cu18 Cu14 Cu17 S5B 0.59(5) . .
Cu13 Cu14 Cu17 S5B 130.46(5) . .
Cu15 Cu14 Cu17 S5B 59.71(5) . .
S2B Cu14 Cu17 S1B 168.97(5) . .
Cu18 Cu14 Cu17 S1B 168.24(3) . .
Cu13 Cu14 Cu17 S1B -61.89(4) . .
Cu15 Cu14 Cu17 S1B -132.64(4) . .
S1B Cu14 Cu17 Cu13 61.89(4) . .
S2B Cu14 Cu17 Cu13 -129.14(4) . .
Cu18 Cu14 Cu17 Cu13 -129.87(2) . .
Cu15 Cu14 Cu17 Cu13 -70.75(2) . .
S1B Cu14 Cu17 Cu22 -168.63(3) . .
S2B Cu14 Cu17 Cu22 0.33(4) . .
Cu18 Cu14 Cu17 Cu22 -0.397(15) . .
Cu13 Cu14 Cu17 Cu22 129.48(2) . .
Cu15 Cu14 Cu17 Cu22 58.72(2) . .
S1B Cu14 Cu17 Cu21 134.81(4) . .
S2B Cu14 Cu17 Cu21 -56.22(4) . .
Cu18 Cu14 Cu17 Cu21 -56.95(2) . .
Cu13 Cu14 Cu17 Cu21 72.92(2) . .
Cu15 Cu14 Cu17 Cu21 2.17(3) . .
S1B Cu14 Cu18 S2B -167.89(5) . .
Cu13 Cu14 Cu18 S2B 129.68(4) . .
Cu17 Cu14 Cu18 S2B 179.35(3) . .
Cu15 Cu14 Cu18 S2B 56.10(3) . .
S1B Cu14 Cu18 S6B 0.85(6) . .
S2B Cu14 Cu18 S6B 168.74(5) . .
Cu13 Cu14 Cu18 S6B -61.57(5) . .
Cu17 Cu14 Cu18 S6B -11.91(4) . .
Cu15 Cu14 Cu18 S6B -135.16(4) . .
S1B Cu14 Cu18 Cu23 67.84(5) . .
S2B Cu14 Cu18 Cu23 -124.27(4) . .
Cu13 Cu14 Cu18 Cu23 5.41(3) . .
Cu17 Cu14 Cu18 Cu23 55.08(2) . .
Cu15 Cu14 Cu18 Cu23 -68.17(3) . .
S1B Cu14 Cu18 Cu22 13.14(4) . .
S2B Cu14 Cu18 Cu22 -178.97(3) . .
Cu13 Cu14 Cu18 Cu22 -49.29(2) . .
Cu17 Cu14 Cu18 Cu22 0.381(14) . .
Cu15 Cu14 Cu18 Cu22 -122.869(17) . .
S1B Cu14 Cu18 Cu15 136.01(4) . .
S2B Cu14 Cu18 Cu15 -56.10(3) . .
Cu13 Cu14 Cu18 Cu15 73.58(3) . .
Cu17 Cu14 Cu18 Cu15 123.251(17) . .
S3B Cu15 Cu18 S2B 171.95(6) . .
Cu19 Cu15 Cu18 S2B 172.13(3) . .
Cu16 Cu15 Cu18 S2B -130.04(4) . .
Cu14 Cu15 Cu18 S2B -61.69(4) . .
S2B Cu15 Cu18 S6B -168.84(6) . .
S3B Cu15 Cu18 S6B 3.11(7) . .
Cu19 Cu15 Cu18 S6B 3.28(5) . .
Cu16 Cu15 Cu18 S6B 61.11(5) . .
Cu14 Cu15 Cu18 S6B 129.47(5) . .
S2B Cu15 Cu18 Cu23 -170.43(3) . .
S3B Cu15 Cu18 Cu23 1.52(5) . .
Cu19 Cu15 Cu18 Cu23 1.695(16) . .
Cu16 Cu15 Cu18 Cu23 59.53(2) . .
Cu14 Cu15 Cu18 Cu23 127.88(2) . .
S2B Cu15 Cu18 Cu14 61.69(4) . .
S3B Cu15 Cu18 Cu14 -126.36(5) . .
Cu19 Cu15 Cu18 Cu14 -126.19(2) . .
Cu16 Cu15 Cu18 Cu14 -68.35(2) . .
S2B Cu15 Cu18 Cu22 133.57(4) . .
S3B Cu15 Cu18 Cu22 -54.48(5) . .
Cu19 Cu15 Cu18 Cu22 -54.30(2) . .
Cu16 Cu15 Cu18 Cu22 3.53(2) . .
Cu14 Cu15 Cu18 Cu22 71.88(2) . .
S2B Cu15 Cu19 S7B -6.25(6) . .
S3B Cu15 Cu19 S7B 165.74(5) . .
Cu16 Cu15 Cu19 S7B -136.43(4) . .
Cu14 Cu15 Cu19 S7B -65.06(4) . .
Cu18 Cu15 Cu19 S7B -14.12(4) . .
S2B Cu15 Cu19 S3B -171.99(5) . .
Cu16 Cu15 Cu19 S3B 57.83(3) . .
Cu14 Cu15 Cu19 S3B 129.20(3) . .
Cu18 Cu15 Cu19 S3B -179.86(3) . .
S2B Cu15 Cu19 Cu24 58.68(4) . .
S3B Cu15 Cu19 Cu24 -129.33(4) . .
Cu16 Cu15 Cu19 Cu24 -71.50(3) . .
Cu14 Cu15 Cu19 Cu24 -0.13(3) . .
Cu18 Cu15 Cu19 Cu24 50.81(2) . .
S2B Cu15 Cu19 Cu16 130.18(4) . .
S3B Cu15 Cu19 Cu16 -57.83(3) . .
Cu14 Cu15 Cu19 Cu16 71.37(2) . .
Cu18 Cu15 Cu19 Cu16 122.31(2) . .
S2B Cu15 Cu19 Cu23 6.35(4) . .
S3B Cu15 Cu19 Cu23 178.34(3) . .
Cu16 Cu15 Cu19 Cu23 -123.83(2) . .
Cu14 Cu15 Cu19 Cu23 -52.46(2) . .
Cu18 Cu15 Cu19 Cu23 -1.518(14) . .
S3B Cu16 Cu19 S7B -171.02(5) . .
S4B Cu16 Cu19 S7B -1.57(6) . .
Cu20 Cu16 Cu19 S7B -2.65(5) . .
Cu15 Cu16 Cu19 S7B 126.96(5) . .
Cu13 Cu16 Cu19 S7B 57.29(5) . .
S4B Cu16 Cu19 S3B 169.45(5) . .
Cu20 Cu16 Cu19 S3B 168.37(3) . .
Cu15 Cu16 Cu19 S3B -62.02(3) . .
Cu13 Cu16 Cu19 S3B -131.69(3) . .
S3B Cu16 Cu19 Cu15 62.02(3) . .
S4B Cu16 Cu19 Cu15 -128.52(4) . .
Cu20 Cu16 Cu19 Cu15 -129.60(2) . .
Cu13 Cu16 Cu19 Cu15 -69.67(3) . .
S3B Cu16 Cu19 Cu24 -169.95(3) . .
S4B Cu16 Cu19 Cu24 -0.50(4) . .
Cu20 Cu16 Cu19 Cu24 -1.579(15) . .
Cu15 Cu16 Cu19 Cu24 128.03(2) . .
Cu13 Cu16 Cu19 Cu24 58.36(2) . .
S3B Cu16 Cu19 Cu23 134.26(3) . .
S4B Cu16 Cu19 Cu23 -56.29(5) . .
Cu20 Cu16 Cu19 Cu23 -57.37(2) . .
Cu15 Cu16 Cu19 Cu23 72.23(3) . .
Cu13 Cu16 Cu19 Cu23 2.57(3) . .
S3B Cu16 Cu20 S4B -168.25(5) . .
Cu15 Cu16 Cu20 S4B 130.22(4) . .
Cu13 Cu16 Cu20 S4B 56.06(3) . .
Cu19 Cu16 Cu20 S4B 179.06(3) . .
S3B Cu16 Cu20 S8B 4.58(6) . .
S4B Cu16 Cu20 S8B 172.82(5) . .
Cu15 Cu16 Cu20 S8B -56.96(5) . .
Cu13 Cu16 Cu20 S8B -131.12(4) . .
Cu19 Cu16 Cu20 S8B -8.11(4) . .
S3B Cu16 Cu20 Cu21 68.37(5) . .
S4B Cu16 Cu20 Cu21 -123.38(4) . .
Cu15 Cu16 Cu20 Cu21 6.84(3) . .
Cu13 Cu16 Cu20 Cu21 -67.32(2) . .
Cu19 Cu16 Cu20 Cu21 55.68(3) . .
S3B Cu16 Cu20 Cu24 14.19(4) . .
S4B Cu16 Cu20 Cu24 -177.56(3) . .
Cu15 Cu16 Cu20 Cu24 -47.34(3) . .
Cu13 Cu16 Cu20 Cu24 -121.506(17) . .
Cu19 Cu16 Cu20 Cu24 1.502(14) . .
S3B Cu16 Cu20 Cu13 135.70(4) . .
S4B Cu16 Cu20 Cu13 -56.06(3) . .
Cu15 Cu16 Cu20 Cu13 74.16(2) . .
Cu19 Cu16 Cu20 Cu13 123.009(17) . .
S1B Cu13 Cu20 S4B 170.66(5) . .
Cu17 Cu13 Cu20 S4B 171.60(4) . .
Cu14 Cu13 Cu20 S4B -131.43(4) . .
Cu16 Cu13 Cu20 S4B -62.22(3) . .
S4B Cu13 Cu20 S8B -169.65(5) . .
S1B Cu13 Cu20 S8B 1.01(6) . .
Cu17 Cu13 Cu20 S8B 1.95(4) . .
Cu14 Cu13 Cu20 S8B 58.93(5) . .
Cu16 Cu13 Cu20 S8B 128.13(4) . .
S4B Cu13 Cu20 Cu21 -170.37(3) . .
S1B Cu13 Cu20 Cu21 0.28(4) . .
Cu17 Cu13 Cu20 Cu21 1.226(15) . .
Cu14 Cu13 Cu20 Cu21 58.20(3) . .
Cu16 Cu13 Cu20 Cu21 127.406(18) . .
S4B Cu13 Cu20 Cu16 62.22(3) . .
S1B Cu13 Cu20 Cu16 -127.12(4) . .
Cu17 Cu13 Cu20 Cu16 -126.181(18) . .
Cu14 Cu13 Cu20 Cu16 -69.20(2) . .
S4B Cu13 Cu20 Cu24 135.05(4) . .
S1B Cu13 Cu20 Cu24 -54.29(5) . .
Cu17 Cu13 Cu20 Cu24 -53.35(2) . .
Cu14 Cu13 Cu20 Cu24 3.62(3) . .
Cu16 Cu13 Cu20 Cu24 72.83(2) . .
S4B Cu20 Cu21 S5B 1.02(6) . .
S8B Cu20 Cu21 S5B -168.89(5) . .
Cu16 Cu20 Cu21 S5B 62.43(5) . .
Cu24 Cu20 Cu21 S5B 132.85(4) . .
Cu13 Cu20 Cu21 S5B 10.51(4) . .
S4B Cu20 Cu21 S8B 169.90(5) . .
Cu16 Cu20 Cu21 S8B -128.68(4) . .
Cu24 Cu20 Cu21 S8B -58.27(3) . .
Cu13 Cu20 Cu21 S8B 179.40(3) . .
S4B Cu20 Cu21 Cu24 -131.83(4) . .
S8B Cu20 Cu21 Cu24 58.27(3) . .
Cu16 Cu20 Cu21 Cu24 -70.42(2) . .
Cu13 Cu20 Cu21 Cu24 -122.34(2) . .
S4B Cu20 Cu21 Cu22 -61.18(4) . .
S8B Cu20 Cu21 Cu22 128.91(4) . .
Cu16 Cu20 Cu21 Cu22 0.23(3) . .
Cu24 Cu20 Cu21 Cu22 70.64(2) . .
Cu13 Cu20 Cu21 Cu22 -51.69(2) . .
S4B Cu20 Cu21 Cu17 -10.64(4) . .
S8B Cu20 Cu21 Cu17 179.45(3) . .
Cu16 Cu20 Cu21 Cu17 50.77(2) . .
Cu24 Cu20 Cu21 Cu17 121.19(2) . .
Cu13 Cu20 Cu21 Cu17 -1.150(14) . .
S1B Cu17 Cu21 S5B -165.63(5) . .
Cu13 Cu17 Cu21 S5B -168.06(3) . .
Cu22 Cu17 Cu21 S5B 62.03(4) . .
Cu14 Cu17 Cu21 S5B 135.55(4) . .
S5B Cu17 Cu21 S8B 170.01(5) . .
S1B Cu17 Cu21 S8B 4.38(7) . .
Cu13 Cu17 Cu21 S8B 1.95(5) . .
Cu22 Cu17 Cu21 S8B -127.96(5) . .
Cu14 Cu17 Cu21 S8B -54.44(5) . .
S5B Cu17 Cu21 Cu20 169.33(3) . .
S1B Cu17 Cu21 Cu20 3.69(5) . .
Cu13 Cu17 Cu21 Cu20 1.268(16) . .
Cu22 Cu17 Cu21 Cu20 -128.65(2) . .
Cu14 Cu17 Cu21 Cu20 -55.12(2) . .
S5B Cu17 Cu21 Cu24 -130.56(4) . .
S1B Cu17 Cu21 Cu24 63.81(5) . .
Cu13 Cu17 Cu21 Cu24 61.38(2) . .
Cu22 Cu17 Cu21 Cu24 -68.54(2) . .
Cu14 Cu17 Cu21 Cu24 4.99(3) . .
S5B Cu17 Cu21 Cu22 -62.03(4) . .
S1B Cu17 Cu21 Cu22 132.34(5) . .
Cu13 Cu17 Cu21 Cu22 129.92(2) . .
Cu14 Cu17 Cu21 Cu22 73.53(2) . .
S5B Cu17 Cu22 S6B -166.49(5) . .
S1B Cu17 Cu22 S6B -0.09(6) . .
Cu13 Cu17 Cu22 S6B 67.53(5) . .
Cu14 Cu17 Cu22 S6B 12.73(4) . .
Cu21 Cu17 Cu22 S6B 136.28(4) . .
S1B Cu17 Cu22 S5B 166.40(5) . .
Cu13 Cu17 Cu22 S5B -125.98(3) . .
Cu14 Cu17 Cu22 S5B 179.22(3) . .
Cu21 Cu17 Cu22 S5B -57.23(3) . .
S5B Cu17 Cu22 Cu23 131.14(3) . .
S1B Cu17 Cu22 Cu23 -62.46(5) . .
Cu13 Cu17 Cu22 Cu23 5.16(3) . .
Cu14 Cu17 Cu22 Cu23 -49.64(2) . .
Cu21 Cu17 Cu22 Cu23 73.91(3) . .
S5B Cu17 Cu22 Cu21 57.23(3) . .
S1B Cu17 Cu22 Cu21 -136.37(4) . .
Cu13 Cu17 Cu22 Cu21 -68.74(3) . .
Cu14 Cu17 Cu22 Cu21 -123.55(2) . .
S5B Cu17 Cu22 Cu18 -178.83(3) . .
S1B Cu17 Cu22 Cu18 -12.43(4) . .
Cu13 Cu17 Cu22 Cu18 55.19(2) . .
Cu14 Cu17 Cu22 Cu18 0.390(15) . .
Cu21 Cu17 Cu22 Cu18 123.94(2) . .
S5B Cu21 Cu22 S6B 168.63(5) . .
S8B Cu21 Cu22 S6B 1.41(6) . .
Cu20 Cu21 Cu22 S6B -64.09(5) . .
Cu24 Cu21 Cu22 S6B -6.52(4) . .
Cu17 Cu21 Cu22 S6B -131.30(4) . .
S8B Cu21 Cu22 S5B -167.22(5) . .
Cu20 Cu21 Cu22 S5B 127.28(4) . .
Cu24 Cu21 Cu22 S5B -175.16(3) . .
Cu17 Cu21 Cu22 S5B 60.07(3) . .
S5B Cu21 Cu22 Cu17 -60.07(3) . .
S8B Cu21 Cu22 Cu17 132.71(4) . .
Cu20 Cu21 Cu22 Cu17 67.21(2) . .
Cu24 Cu21 Cu22 Cu17 124.772(19) . .
S5B Cu21 Cu22 Cu23 176.16(3) . .
S8B Cu21 Cu22 Cu23 8.94(4) . .
Cu20 Cu21 Cu22 Cu23 -56.56(2) . .
Cu24 Cu21 Cu22 Cu23 1.005(15) . .
Cu17 Cu21 Cu22 Cu23 -123.77(2) . .
S5B Cu21 Cu22 Cu18 -132.40(3) . .
S8B Cu21 Cu22 Cu18 60.38(5) . .
Cu20 Cu21 Cu22 Cu18 -5.12(3) . .
Cu24 Cu21 Cu22 Cu18 52.44(2) . .
Cu17 Cu21 Cu22 Cu18 -72.33(2) . .
S2B Cu18 Cu22 S6B -170.26(5) . .
Cu23 Cu18 Cu22 S6B 63.95(3) . .
Cu14 Cu18 Cu22 S6B -169.05(3) . .
Cu15 Cu18 Cu22 S6B 136.52(4) . .
S2B Cu18 Cu22 S5B -3.01(6) . .
S6B Cu18 Cu22 S5B 167.25(5) . .
Cu23 Cu18 Cu22 S5B -128.80(4) . .
Cu14 Cu18 Cu22 S5B -1.80(4) . .
Cu15 Cu18 Cu22 S5B -56.23(5) . .
S2B Cu18 Cu22 Cu17 -1.60(4) . .
S6B Cu18 Cu22 Cu17 168.66(3) . .
Cu23 Cu18 Cu22 Cu17 -127.396(18) . .
Cu14 Cu18 Cu22 Cu17 -0.396(15) . .
Cu15 Cu18 Cu22 Cu17 -54.83(2) . .
S2B Cu18 Cu22 Cu23 125.79(4) . .
S6B Cu18 Cu22 Cu23 -63.95(3) . .
Cu14 Cu18 Cu22 Cu23 127.000(18) . .
Cu15 Cu18 Cu22 Cu23 72.57(2) . .
S2B Cu18 Cu22 Cu21 56.26(5) . .
S6B Cu18 Cu22 Cu21 -133.48(4) . .
Cu23 Cu18 Cu22 Cu21 -69.53(2) . .
Cu14 Cu18 Cu22 Cu21 57.47(3) . .
Cu15 Cu18 Cu22 Cu21 3.04(2) . .
S2B Cu18 Cu23 S7B -0.11(6) . .
S6B Cu18 Cu23 S7B -169.21(5) . .
Cu14 Cu18 Cu23 S7B 62.16(5) . .
Cu22 Cu18 Cu23 S7B 132.09(4) . .
Cu15 Cu18 Cu23 S7B 9.56(4) . .
S2B Cu18 Cu23 S6B 169.11(5) . .
Cu14 Cu18 Cu23 S6B -128.63(4) . .
Cu22 Cu18 Cu23 S6B -58.70(3) . .
Cu15 Cu18 Cu23 S6B 178.77(3) . .
S2B Cu18 Cu23 Cu22 -132.19(4) . .
S6B Cu18 Cu23 Cu22 58.70(3) . .
Cu14 Cu18 Cu23 Cu22 -69.92(2) . .
Cu15 Cu18 Cu23 Cu22 -122.530(17) . .
S2B Cu18 Cu23 Cu24 -61.18(5) . .
S6B Cu18 Cu23 Cu24 129.72(4) . .
Cu14 Cu18 Cu23 Cu24 1.09(3) . .
Cu22 Cu18 Cu23 Cu24 71.01(2) . .
Cu15 Cu18 Cu23 Cu24 -51.52(2) . .
S2B Cu18 Cu23 Cu19 -11.19(4) . .
S6B Cu18 Cu23 Cu19 179.70(3) . .
Cu14 Cu18 Cu23 Cu19 51.07(3) . .
Cu22 Cu18 Cu23 Cu19 120.999(18) . .
Cu15 Cu18 Cu23 Cu19 -1.531(14) . .
S6B Cu22 Cu23 S7B 169.96(5) . .
S5B Cu22 Cu23 S7B 0.57(6) . .
Cu17 Cu22 Cu23 S7B -62.50(5) . .
Cu21 Cu22 Cu23 S7B -3.85(4) . .
Cu18 Cu22 Cu23 S7B -129.18(4) . .
S5B Cu22 Cu23 S6B -169.39(5) . .
Cu17 Cu22 Cu23 S6B 127.54(3) . .
Cu21 Cu22 Cu23 S6B -173.81(3) . .
Cu18 Cu22 Cu23 S6B 60.86(3) . .
S6B Cu22 Cu23 Cu18 -60.86(3) . .
S5B Cu22 Cu23 Cu18 129.74(4) . .
Cu17 Cu22 Cu23 Cu18 66.68(2) . .
Cu21 Cu22 Cu23 Cu18 125.33(2) . .
S6B Cu22 Cu23 Cu24 172.82(3) . .
S5B Cu22 Cu23 Cu24 3.43(4) . .
Cu17 Cu22 Cu23 Cu24 -59.64(2) . .
Cu21 Cu22 Cu23 Cu24 -0.985(15) . .
Cu18 Cu22 Cu23 Cu24 -126.32(2) . .
S6B Cu22 Cu23 Cu19 -135.98(3) . .
S5B Cu22 Cu23 Cu19 54.63(5) . .
Cu17 Cu22 Cu23 Cu19 -8.44(3) . .
Cu21 Cu22 Cu23 Cu19 50.21(2) . .
Cu18 Cu22 Cu23 Cu19 -75.12(2) . .
S3B Cu19 Cu23 S7B -165.48(5) . .
Cu15 Cu19 Cu23 S7B -167.54(3) . .
Cu24 Cu19 Cu23 S7B 62.19(3) . .
Cu16 Cu19 Cu23 S7B 135.88(4) . .
S7B Cu19 Cu23 S6B 169.62(6) . .
S3B Cu19 Cu23 S6B 4.15(7) . .
Cu15 Cu19 Cu23 S6B 2.09(5) . .
Cu24 Cu19 Cu23 S6B -128.18(5) . .
Cu16 Cu19 Cu23 S6B -54.50(5) . .
S7B Cu19 Cu23 Cu18 169.25(3) . .
S3B Cu19 Cu23 Cu18 3.77(5) . .
Cu15 Cu19 Cu23 Cu18 1.707(16) . .
Cu24 Cu19 Cu23 Cu18 -128.563(18) . .
Cu16 Cu19 Cu23 Cu18 -54.88(3) . .
S7B Cu19 Cu23 Cu22 -131.22(4) . .
S3B Cu19 Cu23 Cu22 63.30(5) . .
Cu15 Cu19 Cu23 Cu22 61.24(3) . .
Cu24 Cu19 Cu23 Cu22 -69.03(2) . .
Cu16 Cu19 Cu23 Cu22 4.66(2) . .
S7B Cu19 Cu23 Cu24 -62.19(3) . .
S3B Cu19 Cu23 Cu24 132.33(5) . .
Cu15 Cu19 Cu23 Cu24 130.270(19) . .
Cu16 Cu19 Cu23 Cu24 73.69(2) . .
S3B Cu19 Cu24 S7B 169.30(5) . .
Cu15 Cu19 Cu24 S7B -122.86(4) . .
Cu16 Cu19 Cu24 S7B -179.14(3) . .
Cu23 Cu19 Cu24 S7B -56.05(3) . .
S7B Cu19 Cu24 S8B -168.51(5) . .
S3B Cu19 Cu24 S8B 0.79(6) . .
Cu15 Cu19 Cu24 S8B 68.63(4) . .
Cu16 Cu19 Cu24 S8B 12.34(4) . .
Cu23 Cu19 Cu24 S8B 135.43(4) . .
S7B Cu19 Cu24 Cu21 130.49(3) . .
S3B Cu19 Cu24 Cu21 -60.21(5) . .
Cu15 Cu19 Cu24 Cu21 7.63(3) . .
Cu16 Cu19 Cu24 Cu21 -48.66(2) . .
Cu23 Cu19 Cu24 Cu21 74.43(2) . .
S7B Cu19 Cu24 Cu23 56.05(3) . .
S3B Cu19 Cu24 Cu23 -134.64(4) . .
Cu15 Cu19 Cu24 Cu23 -66.81(2) . .
Cu16 Cu19 Cu24 Cu23 -123.09(2) . .
S7B Cu19 Cu24 Cu20 -179.34(3) . .
S3B Cu19 Cu24 Cu20 -10.04(4) . .
Cu15 Cu19 Cu24 Cu20 57.80(2) . .
Cu16 Cu19 Cu24 Cu20 1.516(14) . .
Cu23 Cu19 Cu24 Cu20 124.61(2) . .
S5B Cu21 Cu24 S7B -4.65(6) . .
S8B Cu21 Cu24 S7B -172.32(5) . .
Cu20 Cu21 Cu24 S7B 127.72(4) . .
Cu22 Cu21 Cu24 S7B 0.78(4) . .
Cu17 Cu21 Cu24 S7B 51.98(5) . .
S5B Cu21 Cu24 S8B 167.67(5) . .
Cu20 Cu21 Cu24 S8B -59.96(3) . .
Cu22 Cu21 Cu24 S8B 173.10(3) . .
Cu17 Cu21 Cu24 S8B -135.70(4) . .
S5B Cu21 Cu24 Cu19 -66.38(5) . .
S8B Cu21 Cu24 Cu19 125.95(4) . .
Cu20 Cu21 Cu24 Cu19 65.99(2) . .
Cu22 Cu21 Cu24 Cu19 -60.95(3) . .
Cu17 Cu21 Cu24 Cu19 -9.75(3) . .
S5B Cu21 Cu24 Cu23 -6.41(4) . .
S8B Cu21 Cu24 Cu23 -174.07(3) . .
Cu20 Cu21 Cu24 Cu23 125.966(18) . .
Cu22 Cu21 Cu24 Cu23 -0.978(14) . .
Cu17 Cu21 Cu24 Cu23 50.22(2) . .
S5B Cu21 Cu24 Cu20 -132.37(4) . .
S8B Cu21 Cu24 Cu20 59.96(3) . .
Cu22 Cu21 Cu24 Cu20 -126.944(18) . .
Cu17 Cu21 Cu24 Cu20 -75.74(2) . .
S6B Cu23 Cu24 S7B -169.10(5) . .
Cu18 Cu23 Cu24 S7B 125.07(4) . .
Cu22 Cu23 Cu24 S7B -177.44(3) . .
Cu19 Cu23 Cu24 S7B 58.48(3) . .
S7B Cu23 Cu24 S8B 171.45(5) . .
S6B Cu23 Cu24 S8B 2.35(6) . .
Cu18 Cu23 Cu24 S8B -63.48(5) . .
Cu22 Cu23 Cu24 S8B -5.99(4) . .
Cu19 Cu23 Cu24 S8B -130.07(4) . .
S7B Cu23 Cu24 Cu19 -58.48(3) . .
S6B Cu23 Cu24 Cu19 132.42(4) . .
Cu18 Cu23 Cu24 Cu19 66.59(2) . .
Cu22 Cu23 Cu24 Cu19 124.084(18) . .
S7B Cu23 Cu24 Cu21 178.44(3) . .
S6B Cu23 Cu24 Cu21 9.34(4) . .
Cu18 Cu23 Cu24 Cu21 -56.49(2) . .
Cu22 Cu23 Cu24 Cu21 1.002(15) . .
Cu19 Cu23 Cu24 Cu21 -123.083(19) . .
S7B Cu23 Cu24 Cu20 -129.95(4) . .
S6B Cu23 Cu24 Cu20 60.95(5) . .
Cu18 Cu23 Cu24 Cu20 -4.88(3) . .
Cu22 Cu23 Cu24 Cu20 52.62(2) . .
Cu19 Cu23 Cu24 Cu20 -71.47(2) . .
S4B Cu20 Cu24 S7B -5.20(6) . .
S8B Cu20 Cu24 S7B 168.94(5) . .
Cu21 Cu20 Cu24 S7B -128.12(4) . .
Cu16 Cu20 Cu24 S7B -2.31(4) . .
Cu13 Cu20 Cu24 S7B -56.90(5) . .
S4B Cu20 Cu24 S8B -174.14(5) . .
Cu21 Cu20 Cu24 S8B 62.95(3) . .
Cu16 Cu20 Cu24 S8B -171.25(3) . .
Cu13 Cu20 Cu24 S8B 134.17(4) . .
S4B Cu20 Cu24 Cu19 -4.44(4) . .
S8B Cu20 Cu24 Cu19 169.70(3) . .
Cu21 Cu20 Cu24 Cu19 -127.356(18) . .
Cu16 Cu20 Cu24 Cu19 -1.551(15) . .
Cu13 Cu20 Cu24 Cu19 -56.14(2) . .
S4B Cu20 Cu24 Cu21 122.92(4) . .
S8B Cu20 Cu24 Cu21 -62.95(3) . .
Cu16 Cu20 Cu24 Cu21 125.805(18) . .
Cu13 Cu20 Cu24 Cu21 71.22(2) . .
S4B Cu20 Cu24 Cu23 54.05(5) . .
S8B Cu20 Cu24 Cu23 -131.82(4) . .
Cu21 Cu20 Cu24 Cu23 -68.87(3) . .
Cu16 Cu20 Cu24 Cu23 56.93(2) . .
Cu13 Cu20 Cu24 Cu23 2.35(3) . .
S2B Cu14 S1B Cu13 147.4(2) . .
Cu18 Cu14 S1B Cu13 -96.29(4) . .
Cu17 Cu14 S1B Cu13 -79.24(3) . .
Cu15 Cu14 S1B Cu13 8.23(5) . .
S2B Cu14 S1B Cu17 -133.3(2) . .
Cu18 Cu14 S1B Cu17 -17.04(5) . .
Cu13 Cu14 S1B Cu17 79.24(3) . .
Cu15 Cu14 S1B Cu17 87.48(4) . .
Cu17 Cu13 S1B Cu14 84.45(3) . .
Cu16 Cu13 S1B Cu14 -7.09(5) . .
Cu20 Cu13 S1B Cu14 85.66(5) . .
Cu14 Cu13 S1B Cu17 -84.45(3) . .
Cu16 Cu13 S1B Cu17 -91.54(4) . .
Cu20 Cu13 S1B Cu17 1.21(5) . .
S5B Cu17 S1B Cu14 145.68(14) . .
Cu13 Cu17 S1B Cu14 -83.18(3) . .
Cu22 Cu17 S1B Cu14 17.32(5) . .
Cu21 Cu17 S1B Cu14 -86.31(5) . .
S5B Cu17 S1B Cu13 -131.14(15) . .
Cu22 Cu17 S1B Cu13 100.50(4) . .
Cu14 Cu17 S1B Cu13 83.18(3) . .
Cu21 Cu17 S1B Cu13 -3.13(5) . .
S6B Cu18 S2B Cu14 -135.72(18) . .
Cu23 Cu18 S2B Cu14 97.06(4) . .
Cu22 Cu18 S2B Cu14 1.59(5) . .
Cu15 Cu18 S2B Cu14 83.49(3) . .
S6B Cu18 S2B Cu15 140.80(18) . .
Cu23 Cu18 S2B Cu15 13.58(5) . .
Cu14 Cu18 S2B Cu15 -83.49(3) . .
Cu22 Cu18 S2B Cu15 -81.89(5) . .
S6B Cu18 S2B Na3 -0.1(2) . .
Cu23 Cu18 S2B Na3 -127.33(4) . .
Cu14 Cu18 S2B Na3 135.61(6) . .
Cu22 Cu18 S2B Na3 137.20(4) . .
Cu15 Cu18 S2B Na3 -140.90(6) . .
S1B Cu14 S2B Cu18 124.6(2) . .
Cu13 Cu14 S2B Cu18 -93.87(4) . .
Cu17 Cu14 S2B Cu18 -0.96(5) . .
Cu15 Cu14 S2B Cu18 -89.78(3) . .
S1B Cu14 S2B Cu15 -145.6(2) . .
Cu18 Cu14 S2B Cu15 89.78(3) . .
Cu13 Cu14 S2B Cu15 -4.09(5) . .
Cu17 Cu14 S2B Cu15 88.81(4) . .
S1B Cu14 S2B Na3 -3.2(2) . .
Cu18 Cu14 S2B Na3 -127.82(6) . .
Cu13 Cu14 S2B Na3 138.31(5) . .
Cu17 Cu14 S2B Na3 -128.79(5) . .
Cu15 Cu14 S2B Na3 142.40(7) . .
Cu19 Cu15 S2B Cu18 -11.06(5) . .
Cu16 Cu15 S2B Cu18 84.62(5) . .
Cu14 Cu15 S2B Cu18 81.52(3) . .
Cu19 Cu15 S2B Cu14 -92.57(4) . .
Cu16 Cu15 S2B Cu14 3.10(5) . .
Cu18 Cu15 S2B Cu14 -81.52(3) . .
Cu19 Cu15 S2B Na3 124.38(5) . .
Cu16 Cu15 S2B Na3 -139.94(5) . .
Cu14 Cu15 S2B Na3 -143.04(6) . .
Cu18 Cu15 S2B Na3 135.44(7) . .
S4B Cu16 S3B Cu15 143.74(19) . .
Cu20 Cu16 S3B Cu15 -94.96(4) . .
Cu13 Cu16 S3B Cu15 10.26(5) . .
Cu19 Cu16 S3B Cu15 -77.98(3) . .
S4B Cu16 S3B Cu19 -138.28(19) . .
Cu20 Cu16 S3B Cu19 -16.98(5) . .
Cu15 Cu16 S3B Cu19 77.98(3) . .
Cu13 Cu16 S3B Cu19 88.25(4) . .
Cu19 Cu15 S3B Cu16 84.47(3) . .
Cu14 Cu15 S3B Cu16 -9.06(5) . .
Cu18 Cu15 S3B Cu16 84.69(5) . .
Cu16 Cu15 S3B Cu19 -84.47(3) . .
Cu14 Cu15 S3B Cu19 -93.53(4) . .
Cu18 Cu15 S3B Cu19 0.22(5) . .
S7B Cu19 S3B Cu16 152.87(16) . .
Cu15 Cu19 S3B Cu16 -83.68(3) . .
Cu24 Cu19 S3B Cu16 15.55(5) . .
Cu23 Cu19 S3B Cu16 -86.32(5) . .
S7B Cu19 S3B Cu15 -123.45(16) . .
Cu24 Cu19 S3B Cu15 99.23(4) . .
Cu16 Cu19 S3B Cu15 83.68(3) . .
Cu23 Cu19 S3B Cu15 -2.65(5) . .
Cu17 Cu13 S4B Cu16 -92.57(4) . .
Cu14 Cu13 S4B Cu16 2.78(5) . .
Cu20 Cu13 S4B Cu16 -80.85(3) . .
Cu17 Cu13 S4B Cu20 -11.72(5) . .
Cu14 Cu13 S4B Cu20 83.62(5) . .
Cu16 Cu13 S4B Cu20 80.85(3) . .
S3B Cu16 S4B Cu13 -140.71(19) . .
Cu20 Cu16 S4B Cu13 89.90(3) . .
Cu15 Cu16 S4B Cu13 -3.72(5) . .
Cu19 Cu16 S4B Cu13 88.48(4) . .
S3B Cu16 S4B Cu20 129.38(19) . .
Cu15 Cu16 S4B Cu20 -93.62(4) . .
Cu13 Cu16 S4B Cu20 -89.90(3) . .
Cu19 Cu16 S4B Cu20 -1.42(5) . .
Cu21 Cu20 S4B Cu13 13.37(5) . .
Cu16 Cu20 S4B Cu13 -82.94(3) . .
Cu24 Cu20 S4B Cu13 -79.14(5) . .
Cu21 Cu20 S4B Cu16 96.31(4) . .
Cu24 Cu20 S4B Cu16 3.80(5) . .
Cu13 Cu20 S4B Cu16 82.94(3) . .
S8B Cu21 S5B Cu17 -147.67(17) . .
Cu20 Cu21 S5B Cu17 -15.88(5) . .
Cu24 Cu21 S5B Cu17 86.60(4) . .
Cu22 Cu21 S5B Cu17 79.38(3) . .
S8B Cu21 S5B Cu22 132.95(17) . .
Cu20 Cu21 S5B Cu22 -95.26(4) . .
Cu24 Cu21 S5B Cu22 7.22(5) . .
Cu17 Cu21 S5B Cu22 -79.38(3) . .
S1B Cu17 S5B Cu21 138.61(14) . .
Cu13 Cu17 S5B Cu21 17.74(5) . .
Cu22 Cu17 S5B Cu21 -83.53(3) . .
Cu14 Cu17 S5B Cu21 -84.81(5) . .
S1B Cu17 S5B Cu22 -137.86(15) . .
Cu13 Cu17 S5B Cu22 101.27(4) . .
Cu14 Cu17 S5B Cu22 -1.28(5) . .
Cu21 Cu17 S5B Cu22 83.53(3) . .
S6B Cu22 S5B Cu21 -143.57(15) . .
Cu17 Cu22 S5B Cu21 86.33(3) . .
Cu23 Cu22 S5B Cu21 -5.89(5) . .
Cu18 Cu22 S5B Cu21 88.15(4) . .
S6B Cu22 S5B Cu17 130.10(16) . .
Cu23 Cu22 S5B Cu17 -92.22(4) . .
Cu21 Cu22 S5B Cu17 -86.33(3) . .
Cu18 Cu22 S5B Cu17 1.82(5) . .
S2B Cu18 S6B Cu22 144.28(18) . .
Cu23 Cu18 S6B Cu22 -81.27(3) . .
Cu14 Cu18 S6B Cu22 16.46(5) . .
Cu15 Cu18 S6B Cu22 -83.28(5) . .
S2B Cu18 S6B Cu23 -134.45(18) . .
Cu14 Cu18 S6B Cu23 97.73(4) . .
Cu22 Cu18 S6B Cu23 81.27(3) . .
Cu15 Cu18 S6B Cu23 -2.01(5) . .
S5B Cu22 S6B Cu18 -137.47(15) . .
Cu17 Cu22 S6B Cu18 -16.62(5) . .
Cu23 Cu22 S6B Cu18 77.38(3) . .
Cu21 Cu22 S6B Cu18 87.20(4) . .
S5B Cu22 S6B Cu23 145.15(15) . .
Cu17 Cu22 S6B Cu23 -94.00(4) . .
Cu21 Cu22 S6B Cu23 9.82(5) . .
Cu18 Cu22 S6B Cu23 -77.38(3) . .
S7B Cu23 S6B Cu18 134.42(19) . .
Cu22 Cu23 S6B Cu18 -85.14(3) . .
Cu24 Cu23 S6B Cu18 -96.07(4) . .
Cu19 Cu23 S6B Cu18 -0.48(5) . .
S7B Cu23 S6B Cu22 -140.44(19) . .
Cu18 Cu23 S6B Cu22 85.14(3) . .
Cu24 Cu23 S6B Cu22 -10.93(5) . .
Cu19 Cu23 S6B Cu22 84.66(5) . .
S6B Cu23 S7B Cu19 -142.62(19) . .
Cu18 Cu23 S7B Cu19 -15.44(5) . .
Cu22 Cu23 S7B Cu19 83.95(5) . .
Cu24 Cu23 S7B Cu19 80.13(3) . .
S6B Cu23 S7B Cu24 137.26(19) . .
Cu18 Cu23 S7B Cu24 -95.57(4) . .
Cu22 Cu23 S7B Cu24 3.82(5) . .
Cu19 Cu23 S7B Cu24 -80.13(3) . .
S3B Cu19 S7B Cu23 131.58(16) . .
Cu15 Cu19 S7B Cu23 17.67(5) . .
Cu24 Cu19 S7B Cu23 -83.54(3) . .
Cu16 Cu19 S7B Cu23 -82.14(5) . .
S3B Cu19 S7B Cu24 -144.88(16) . .
Cu15 Cu19 S7B Cu24 101.21(4) . .
Cu16 Cu19 S7B Cu24 1.40(5) . .
Cu23 Cu19 S7B Cu24 83.54(3) . .
Cu19 Cu24 S7B Cu23 88.96(3) . .
Cu21 Cu24 S7B Cu23 -2.36(5) . .
Cu20 Cu24 S7B Cu23 89.95(4) . .
Cu21 Cu24 S7B Cu19 -91.32(4) . .
Cu23 Cu24 S7B Cu19 -88.96(3) . .
Cu20 Cu24 S7B Cu19 0.99(5) . .
S5B Cu21 S8B Cu24 -134.34(17) . .
Cu20 Cu21 S8B Cu24 86.22(3) . .
Cu22 Cu21 S8B Cu24 -10.44(5) . .
Cu17 Cu21 S8B Cu24 85.34(5) . .
S5B Cu21 S8B Cu20 139.44(17) . .
Cu24 Cu21 S8B Cu20 -86.22(3) . .
Cu22 Cu21 S8B Cu20 -96.66(4) . .
Cu17 Cu21 S8B Cu20 -0.88(5) . .
S5B Cu21 S8B Na5 67.4(2) . .
Cu20 Cu21 S8B Na5 -72.00(12) . .
Cu24 Cu21 S8B Na5 -158.22(14) . .
Cu22 Cu21 S8B Na5 -168.66(10) . .
Cu17 Cu21 S8B Na5 -72.88(14) . .
S5B Cu21 S8B Na4 -27.3(2) . .
Cu20 Cu21 S8B Na4 -166.72(5) . .
Cu24 Cu21 S8B Na4 107.06(5) . .
Cu22 Cu21 S8B Na4 96.62(5) . .
Cu17 Cu21 S8B Na4 -167.61(3) . .
Cu19 Cu24 S8B Cu21 -93.71(4) . .
Cu23 Cu24 S8B Cu21 9.18(5) . .
Cu20 Cu24 S8B Cu21 -79.03(3) . .
Cu19 Cu24 S8B Cu20 -14.68(5) . .
Cu21 Cu24 S8B Cu20 79.03(3) . .
Cu23 Cu24 S8B Cu20 88.22(4) . .
Cu19 Cu24 S8B Na5 78.33(5) . .
Cu21 Cu24 S8B Na5 172.04(5) . .
Cu23 Cu24 S8B Na5 -178.78(3) . .
Cu20 Cu24 S8B Na5 93.00(5) . .
Cu19 Cu24 S8B Na4 153.34(3) . .
Cu21 Cu24 S8B Na4 -112.95(4) . .
Cu23 Cu24 S8B Na4 -103.77(5) . .
Cu20 Cu24 S8B Na4 168.02(5) . .
Cu16 Cu20 S8B Cu21 94.62(4) . .
Cu24 Cu20 S8B Cu21 81.57(3) . .
Cu13 Cu20 S8B Cu21 -0.94(5) . .
Cu21 Cu20 S8B Cu24 -81.57(3) . .
Cu16 Cu20 S8B Cu24 13.04(5) . .
Cu13 Cu20 S8B Cu24 -82.51(4) . .
Cu21 Cu20 S8B Na5 161.52(4) . .
Cu16 Cu20 S8B Na5 -103.86(4) . .
Cu24 Cu20 S8B Na5 -116.91(4) . .
Cu13 Cu20 S8B Na5 160.58(3) . .
Cu21 Cu20 S8B Na4 137.65(15) . .
Cu16 Cu20 S8B Na4 -127.73(13) . .
Cu24 Cu20 S8B Na4 -140.78(15) . .
Cu13 Cu20 S8B Na4 136.71(12) . .
Cu2 S1A Na1 O1B -30.92(7) . .
Cu5 S1A Na1 O1B 77.71(8) . .
Cu1 S1A Na1 O1B -147.65(7) . .
Cu2 S1A Na1 O1D 91.68(7) . .
Cu5 S1A Na1 O1D -159.70(7) . .
Cu1 S1A Na1 O1D -25.05(8) . .
Cu2 S1A Na1 O1A -112.67(6) . .
Cu5 S1A Na1 O1A -4.04(9) . .
Cu1 S1A Na1 O1A 130.60(7) . .
Cu2 S1A Na1 O1C 173.73(6) . .
Cu5 S1A Na1 O1C -77.64(8) . .
Cu1 S1A Na1 O1C 57.00(8) . .
Cu7 S7A Na2 O1J -127.08(7) . .
Cu12 S7A Na2 O1J -43.10(7) . .
Na8 S7A Na2 O1J 128.65(7) . .
Cu7 S7A Na2 O1H -20.17(7) . .
Cu12 S7A Na2 O1H 63.81(7) . .
Na8 S7A Na2 O1H -124.44(7) . .
Cu7 S7A Na2 O1G 134.77(6) . 1_456
Cu12 S7A Na2 O1G -141.25(6) . 1_456
Na8 S7A Na2 O1G 30.49(5) . 1_456
Cu7 S7A Na2 O1I 97.9(3) . 1_456
Cu12 S7A Na2 O1I -178.1(3) . 1_456
Na8 S7A Na2 O1I -6.4(3) . 1_456
Cu7 S7A Na2 O1F 58.16(6) . 1_456
Cu12 S7A Na2 O1F 142.14(6) . 1_456
Na8 S7A Na2 O1F -46.11(6) . 1_456
Cu18 S2B Na3 O1L -26.86(8) . .
Cu14 S2B Na3 O1L 83.99(8) . .
Cu15 S2B Na3 O1L -149.80(7) . .
Cu18 S2B Na3 O1K 95.09(7) . .
Cu14 S2B Na3 O1K -154.06(7) . .
Cu15 S2B Na3 O1K -27.85(8) . .
Cu18 S2B Na3 O1G -107.19(7) . .
Cu14 S2B Na3 O1G 3.66(9) . .
Cu15 S2B Na3 O1G 129.88(7) . .
Cu18 S2B Na3 O1I 178.29(6) . .
Cu14 S2B Na3 O1I -70.86(8) . .
Cu15 S2B Na3 O1I 55.36(8) . .
Cu21 S8B Na4 O1M -65.96(8) . .
Cu24 S8B Na4 O1M 22.41(8) . .
Cu20 S8B Na4 O1M 160.57(14) . .
Na5 S8B Na4 O1M 134.89(7) . .
Cu21 S8B Na4 O1A 129.90(6) . .
Cu24 S8B Na4 O1A -141.73(6) . .
Cu20 S8B Na4 O1A -3.56(16) . .
Na5 S8B Na4 O1A -29.25(6) . .
Cu21 S8B Na4 O1N 43.42(7) . .
Cu24 S8B Na4 O1N 131.79(6) . .
Cu20 S8B Na4 O1N -90.04(15) . .
Na5 S8B Na4 O1N -115.73(6) . .
Cu21 S8B Na4 O1B -166.83(16) . .
Cu24 S8B Na4 O1B -78.47(17) . .
Cu20 S8B Na4 O1B 59.7(2) . .
Na5 S8B Na4 O1B 34.02(17) . .
Cu21 S8B Na4 O1E -157.29(6) . .
Cu24 S8B Na4 O1E -68.92(6) . .
Cu20 S8B Na4 O1E 69.25(15) . .
Na5 S8B Na4 O1E 43.56(5) . .
Cu21 S8B Na5 O1O 30.61(15) . .
Cu24 S8B Na5 O1O -125.08(7) . .
Cu20 S8B Na5 O1O -38.65(7) . .
Na4 S8B Na5 O1O 133.60(7) . .
Cu21 S8B Na5 O1P 134.13(13) . .
Cu24 S8B Na5 O1P -21.56(7) . .
Cu20 S8B Na5 O1P 64.87(6) . .
Na4 S8B Na5 O1P -122.88(7) . .
Cu21 S8B Na5 O1C -119.6(2) . .
Cu24 S8B Na5 O1C 84.7(2) . .
Cu20 S8B Na5 O1C 171.2(2) . .
Na4 S8B Na5 O1C -16.6(2) . .
Cu21 S8B Na5 O1A -74.94(14) . .
Cu24 S8B Na5 O1A 129.38(6) . .
Cu20 S8B Na5 O1A -144.19(6) . .
Na4 S8B Na5 O1A 28.06(5) . .
Cu21 S8B Na5 O1E -148.77(13) . .
Cu24 S8B Na5 O1E 55.54(6) . .
Cu20 S8B Na5 O1E 141.97(6) . .
Na4 S8B Na5 O1E -45.78(5) . .
Cu7 S7A Na8 O1U 35.99(8) . .
Cu12 S7A Na8 O1U 169.60(17) . .
Cu11 S7A Na8 O1U -50.18(8) . .
Na2 S7A Na8 O1U 135.28(8) . .
Cu7 S7A Na8 O1V 137.75(7) . .
Cu12 S7A Na8 O1V -88.64(18) . .
Cu11 S7A Na8 O1V 51.58(7) . .
Na2 S7A Na8 O1V -122.96(7) . .
Cu7 S7A Na8 O1G -131.59(6) . 1_456
Cu12 S7A Na8 O1G 2.02(19) . 1_456
Cu11 S7A Na8 O1G 142.24(6) . 1_456
Na2 S7A Na8 O1G -32.30(6) . 1_456
Cu7 S7A Na8 O1L -67.5(2) . 1_456
Cu12 S7A Na8 O1L 66.1(3) . 1_456
Cu11 S7A Na8 O1L -153.71(18) . 1_456
Na2 S7A Na8 O1L 31.75(19) . 1_456
Cu7 S7A Na8 O1F -55.62(6) . 1_456
Cu12 S7A Na8 O1F 77.99(18) . 1_456
Cu11 S7A Na8 O1F -141.79(6) . 1_456
Na2 S7A Na8 O1F 43.67(5) . 1_456
O1M Na4 O1A C2A 132.4(4) . .
O1N Na4 O1A C2A -33.5(2) . .
O1B Na4 O1A C2A 74.1(2) . .
O1E Na4 O1A C2A 155.9(2) . .
S8B Na4 O1A C2A -126.7(2) . .
O1M Na4 O1A Na1 19.6(4) . .
O1N Na4 O1A Na1 -146.32(8) . .
O1B Na4 O1A Na1 -38.77(7) . .
O1E Na4 O1A Na1 43.08(6) . .
S8B Na4 O1A Na1 120.45(6) . .
O1M Na4 O1A Na5 -67.7(3) . .
O1N Na4 O1A Na5 126.43(8) . .
O1B Na4 O1A Na5 -126.02(8) . .
O1E Na4 O1A Na5 -44.17(6) . .
S8B Na4 O1A Na5 33.20(6) . .
O1E Na1 O1A C2A 178.3(2) . .
O1B Na1 O1A C2A -91.1(2) . .
O1D Na1 O1A C2A 114.1(2) . .
O1C Na1 O1A C2A 92.7(2) . .
S1A Na1 O1A C2A 4.2(2) . .
O1E Na1 O1A Na4 -50.25(7) . .
O1B Na1 O1A Na4 40.40(7) . .
O1D Na1 O1A Na4 -114.40(18) . .
O1C Na1 O1A Na4 -135.84(8) . .
S1A Na1 O1A Na4 135.71(6) . .
O1E Na1 O1A Na5 41.18(7) . .
O1B Na1 O1A Na5 131.83(7) . .
O1D Na1 O1A Na5 -23.0(2) . .
O1C Na1 O1A Na5 -44.41(6) . .
S1A Na1 O1A Na5 -132.86(6) . .
O1O Na5 O1A C2A 24.9(3) . .
O1P Na5 O1A C2A -120.2(3) . .
O1C Na5 O1A C2A -69.8(3) . .
O1E Na5 O1A C2A -154.4(3) . .
S8B Na5 O1A C2A 122.6(3) . .
O1O Na5 O1A Na4 -133.51(8) . .
O1P Na5 O1A Na4 81.40(16) . .
O1C Na5 O1A Na4 131.80(8) . .
O1E Na5 O1A Na4 47.14(7) . .
S8B Na5 O1A Na4 -35.80(6) . .
O1O Na5 O1A Na1 141.36(8) . .
O1P Na5 O1A Na1 -3.73(17) . .
O1C Na5 O1A Na1 46.67(7) . .
O1E Na5 O1A Na1 -37.98(7) . .
S8B Na5 O1A Na1 -120.93(6) . .
Na4 O1A C2A N3A 92.8(4) . .
Na1 O1A C2A N3A -165.7(3) . .
Na5 O1A C2A N3A -58.4(4) . .
O1A C2A N3A C4A 0.2(5) . .
O1A C2A N3A C5A 177.2(3) . .
O1E Na1 O1B C2B -146.3(2) . .
O1D Na1 O1B C2B -57.6(3) . .
O1A Na1 O1B C2B 135.2(2) . .
O1C Na1 O1B C2B 143.4(2) . .
S1A Na1 O1B C2B 34.0(3) . .
O1E Na1 O1B Na4 39.83(7) . .
O1D Na1 O1B Na4 128.55(9) . .
O1A Na1 O1B Na4 -38.65(7) . .
O1C Na1 O1B Na4 -30.47(19) . .
S1A Na1 O1B Na4 -139.85(6) . .
O1M Na4 O1B C2B 62.0(3) . .
O1A Na4 O1B C2B -131.7(3) . .
O1N Na4 O1B C2B -48.3(3) . .
O1E Na4 O1B C2B 153.8(3) . .
S8B Na4 O1B C2B 163.3(3) . .
O1M Na4 O1B Na1 -126.24(9) . .
O1A Na4 O1B Na1 40.08(7) . .
O1N Na4 O1B Na1 123.40(8) . .
O1E Na4 O1B Na1 -34.42(6) . .
S8B Na4 O1B Na1 -24.93(19) . .
Na1 O1B C2B N3B -176.1(2) . .
Na4 O1B C2B N3B -6.9(5) . .
O1B C2B N3B C5B 178.0(3) . .
O1B C2B N3B C4B 1.9(5) . .
O1R Na6 O1C C2C -110.0(5) . .
O1P Na6 O1C C2C 142.1(2) . .
O1Q Na6 O1C C2C 31.7(2) . .
O1D Na6 O1C C2C -66.0(2) . .
O1E Na6 O1C C2C -144.1(2) . .
O1R Na6 O1C Na5 78.2(5) . .
O1P Na6 O1C Na5 -29.63(7) . .
O1Q Na6 O1C Na5 -139.98(8) . .
O1D Na6 O1C Na5 122.29(8) . .
O1E Na6 O1C Na5 44.12(6) . .
O1R Na6 O1C Na1 -6.9(5) . .
O1P Na6 O1C Na1 -114.75(7) . .
O1Q Na6 O1C Na1 134.90(7) . .
O1D Na6 O1C Na1 37.17(7) . .
O1E Na6 O1C Na1 -41.00(6) . .
O1O Na5 O1C C2C -33.3(4) . .
O1P Na5 O1C C2C -134.3(4) . .
O1A Na5 O1C C2C 70.2(4) . .
O1E Na5 O1C C2C 146.2(4) . .
S8B Na5 O1C C2C 116.7(4) . .
O1O Na5 O1C Na6 130.33(8) . .
O1P Na5 O1C Na6 29.38(7) . .
O1A Na5 O1C Na6 -126.12(8) . .
O1E Na5 O1C Na6 -50.18(7) . .
S8B Na5 O1C Na6 -79.6(2) . .
O1O Na5 O1C Na1 -147.34(8) . .
O1P Na5 O1C Na1 111.70(7) . .
O1A Na5 O1C Na1 -43.80(6) . .
O1E Na5 O1C Na1 32.15(6) . .
S8B Na5 O1C Na1 2.7(2) . .
O1E Na1 O1C C2C 169.79(19) . .
O1B Na1 O1C C2C -118.6(2) . .
O1D Na1 O1C C2C 79.16(19) . .
O1A Na1 O1C C2C -110.14(19) . .
S1A Na1 O1C C2C -8.05(18) . .
O1E Na1 O1C Na6 51.75(7) . .
O1B Na1 O1C Na6 123.40(17) . .
O1D Na1 O1C Na6 -38.88(7) . .
O1A Na1 O1C Na6 131.82(7) . .
S1A Na1 O1C Na6 -126.09(6) . .
O1E Na1 O1C Na5 -35.26(7) . .
O1B Na1 O1C Na5 36.40(19) . .
O1D Na1 O1C Na5 -125.89(8) . .
O1A Na1 O1C Na5 44.81(7) . .
S1A Na1 O1C Na5 146.90(6) . .
Na6 O1C C2C N3C -153.9(2) . .
Na5 O1C C2C N3C 7.4(6) . .
Na1 O1C C2C N3C 116.8(3) . .
O1C C2C N3C C4C -1.2(5) . .
O1C C2C N3C C5C -177.2(3) . .
O1E Na1 O1D C2D 171.6(2) . .
O1B Na1 O1D C2D 83.4(2) . .
O1A Na1 O1D C2D -126.5(3) . .
O1C Na1 O1D C2D -105.8(2) . .
S1A Na1 O1D C2D -13.5(2) . .
O1E Na1 O1D Na6 -45.44(7) . .
O1B Na1 O1D Na6 -133.67(8) . .
O1A Na1 O1D Na6 16.4(2) . .
O1C Na1 O1D Na6 37.14(6) . .
S1A Na1 O1D Na6 129.46(6) . .
O1R Na6 O1D C2D -92.4(3) . .
O1P Na6 O1D C2D 165.0(2) . .
O1Q Na6 O1D C2D 7.2(3) . .
O1C Na6 O1D C2D 95.1(3) . .
O1E Na6 O1D C2D 172.0(3) . .
O1R Na6 O1D Na1 132.25(9) . .
O1P Na6 O1D Na1 29.65(18) . .
O1Q Na6 O1D Na1 -128.10(8) . .
O1C Na6 O1D Na1 -40.20(7) . .
O1E Na6 O1D Na1 36.67(6) . .
Na1 O1D C2D N3D -79.4(4) . .
Na6 O1D C2D N3D 159.1(2) . .
O1D C2D N3D C4D 5.3(5) . .
O1D C2D N3D C5D 178.5(3) . .
O1B Na1 O1E C2E 74.0(4) . .
O1D Na1 O1E C2E -48.7(4) . .
O1A Na1 O1E C2E 154.5(4) . .
O1C Na1 O1E C2E -130.8(4) . .
O1B Na1 O1E Na5 -120.90(8) . .
O1D Na1 O1E Na5 116.44(8) . .
O1A Na1 O1E Na5 -40.35(7) . .
O1C Na1 O1E Na5 34.31(7) . .
O1B Na1 O1E Na4 -36.75(7) . .
O1D Na1 O1E Na4 -159.41(7) . .
O1A Na1 O1E Na4 43.80(6) . .
O1C Na1 O1E Na4 118.45(7) . .
O1B Na1 O1E Na6 162.27(7) . .
O1D Na1 O1E Na6 39.61(6) . .
O1A Na1 O1E Na6 -117.18(7) . .
O1C Na1 O1E Na6 -42.52(6) . .
O1P Na5 O1E C2E 50.5(2) . .
O1C Na5 O1E C2E 135.5(2) . .
O1A Na5 O1E C2E -147.4(2) . .
S8B Na5 O1E C2E -52.9(2) . .
O1P Na5 O1E Na1 -121.39(8) . .
O1C Na5 O1E Na1 -36.37(7) . .
O1A Na5 O1E Na1 40.74(7) . .
S8B Na5 O1E Na1 135.24(7) . .
O1P Na5 O1E Na4 156.64(7) . .
O1C Na5 O1E Na4 -118.34(7) . .
O1A Na5 O1E Na4 -41.23(6) . .
S8B Na5 O1E Na4 53.27(5) . .
O1P Na5 O1E Na6 -42.93(6) . .
O1C Na5 O1E Na6 42.09(6) . .
O1A Na5 O1E Na6 119.20(7) . .
S8B Na5 O1E Na6 -146.30(5) . .
O1M Na4 O1E C2E -24.90(18) . .
O1A Na4 O1E C2E 161.47(18) . .
O1N Na4 O1E C2E 136.1(2) . .
O1B Na4 O1E C2E -115.71(18) . .
S8B Na4 O1E C2E 68.08(17) . .
O1M Na4 O1E Na1 126.77(8) . .
O1A Na4 O1E Na1 -46.86(7) . .
O1N Na4 O1E Na1 -72.2(2) . .
O1B Na4 O1E Na1 35.97(7) . .
S8B Na4 O1E Na1 -140.25(6) . .
O1M Na4 O1E Na5 -142.80(8) . .
O1A Na4 O1E Na5 43.57(7) . .
O1N Na4 O1E Na5 18.2(2) . .
O1B Na4 O1E Na5 126.40(7) . .
S8B Na4 O1E Na5 -49.82(5) . .
O1M Na4 O1E Na6 171.39(18) . .
O1A Na4 O1E Na6 -2.24(18) . .
O1N Na4 O1E Na6 -27.6(3) . .
O1B Na4 O1E Na6 80.58(18) . .
S8B Na4 O1E Na6 -95.63(18) . .
O1R Na6 O1E C2E 24.57(17) . .
O1P Na6 O1E C2E -72.28(17) . .
O1Q Na6 O1E C2E -176.7(3) . .
O1C Na6 O1E C2E -161.53(17) . .
O1D Na6 O1E C2E 111.38(17) . .
O1R Na6 O1E Na1 -126.01(9) . .
O1P Na6 O1E Na1 137.13(8) . .
O1Q Na6 O1E Na1 32.7(3) . .
O1C Na6 O1E Na1 47.88(7) . .
O1D Na6 O1E Na1 -39.21(7) . .
O1R Na6 O1E Na5 141.75(8) . .
O1P Na6 O1E Na5 44.90(7) . .
O1Q Na6 O1E Na5 -59.5(3) . .
O1C Na6 O1E Na5 -44.35(6) . .
O1D Na6 O1E Na5 -131.44(7) . .
O1R Na6 O1E Na4 -171.19(18) . .
O1P Na6 O1E Na4 91.96(18) . .
O1Q Na6 O1E Na4 -12.4(4) . .
O1C Na6 O1E Na4 2.71(18) . .
O1D Na6 O1E Na4 -84.38(18) . .
Na1 O1E C2E N3E -16.6(6) . .
Na5 O1E C2E N3E -179.6(2) . .
Na4 O1E C2E N3E 87.8(3) . .
Na6 O1E C2E N3E -99.6(3) . .
O1E C2E N3E C5E -180.0(3) . .
O1E C2E N3E C4E -2.3(5) . .
O1L Na3 O1F C2F 62.5(4) . .
O1K Na3 O1F C2F -59.7(4) . .
O1G Na3 O1F C2F 142.1(4) . .
O1I Na3 O1F C2F -143.3(4) . .
O1L Na3 O1F Na2 -119.36(8) . 1_654
O1K Na3 O1F Na2 118.45(8) . 1_654
O1G Na3 O1F Na2 -39.80(7) . 1_654
O1I Na3 O1F Na2 34.85(7) . 1_654
O1L Na3 O1F Na8 -38.31(7) . 1_654
O1K Na3 O1F Na8 -160.50(7) . 1_654
O1G Na3 O1F Na8 41.25(6) . 1_654
O1I Na3 O1F Na8 115.90(7) . 1_654
O1L Na3 O1F Na7 163.50(7) . 1_654
O1K Na3 O1F Na7 41.31(7) . 1_654
O1G Na3 O1F Na7 -116.94(7) . 1_654
O1I Na3 O1F Na7 -42.29(6) . 1_654
Na3 O1F C2F N3F -2.5(6) . .
Na2 O1F C2F N3F 179.7(2) 1_654 .
Na8 O1F C2F N3F 92.8(3) 1_654 .
Na7 O1F C2F N3F -96.3(3) 1_654 .
O1F C2F N3F C5F -172.8(3) . .
O1F C2F N3F C4F -0.3(5) . .
O1F Na3 O1G C2G -176.55(19) . .
O1L Na3 O1G C2G -87.42(19) . .
O1K Na3 O1G C2G 121.1(2) . .
O1I Na3 O1G C2G 97.02(19) . .
S2B Na3 O1G C2G 6.0(2) . .
O1F Na3 O1G Na8 -47.63(7) . 1_654
O1L Na3 O1G Na8 41.50(7) . 1_654
O1K Na3 O1G Na8 -109.97(19) . 1_654
O1I Na3 O1G Na8 -134.07(8) . 1_654
S2B Na3 O1G Na8 134.96(6) . 1_654
O1F Na3 O1G Na2 40.47(7) . 1_654
O1L Na3 O1G Na2 129.60(8) . 1_654
O1K Na3 O1G Na2 -21.9(2) . 1_654
O1I Na3 O1G Na2 -45.97(6) . 1_654
S2B Na3 O1G Na2 -136.94(6) . 1_654
Na8 O1G C2G N3G 90.7(4) 1_654 .
Na3 O1G C2G N3G -170.2(3) . .
Na2 O1G C2G N3G -62.8(5) 1_654 .
O1G C2G N3G C4G 0.2(5) . .
O1G C2G N3G C5G 179.0(3) . .
O1J Na2 O1H C2H 58.9(3) . .
O1G Na2 O1H C2H -159.1(2) 1_456 .
O1I Na2 O1H C2H 155.8(3) 1_456 .
O1F Na2 O1H C2H -121.9(3) 1_456 .
S7A Na2 O1H C2H -36.0(3) . .
O1J Na2 O1H Na7 -126.49(9) . .
O1G Na2 O1H Na7 15.51(19) 1_456 .
O1I Na2 O1H Na7 -29.59(7) 1_456 .
O1F Na2 O1H Na7 52.72(7) 1_456 .
S7A Na2 O1H Na7 138.69(6) . .
O1S Na7 O1H C2H 28.1(4) . .
O1T Na7 O1H C2H -72.6(3) . .
O1I Na7 O1H C2H -156.7(3) 1_456 .
O1K Na7 O1H C2H 134.9(3) 1_456 .
O1F Na7 O1H C2H 126.8(3) 1_456 .
O1S Na7 O1H Na2 -145.08(10) . .
O1T Na7 O1H Na2 114.22(9) . .
O1I Na7 O1H Na2 30.16(8) 1_456 .
O1K Na7 O1H Na2 -38.25(18) 1_456 .
O1F Na7 O1H Na2 -46.31(7) 1_456 .
Na2 O1H C2H N3H -137.1(3) . .
Na7 O1H C2H N3H 51.7(5) . .
O1H C2H N3H C4H 3.3(5) . .
O1H C2H N3H C5H 176.9(3) . .
O1F Na3 O1I C2I 168.91(19) . .
O1L Na3 O1I C2I -119.2(2) . .
O1K Na3 O1I C2I 80.20(19) . .
O1G Na3 O1I C2I -109.69(19) . .
S2B Na3 O1I C2I -6.84(18) . .
O1F Na3 O1I Na7 50.69(7) . 1_654
O1L Na3 O1I Na7 122.53(17) . 1_654
O1K Na3 O1I Na7 -38.02(7) . 1_654
O1G Na3 O1I Na7 132.09(7) . 1_654
S2B Na3 O1I Na7 -125.06(6) . 1_654
O1F Na3 O1I Na2 -35.42(7) . 1_654
O1L Na3 O1I Na2 36.42(19) . 1_654
O1K Na3 O1I Na2 -124.12(8) . 1_654
O1G Na3 O1I Na2 45.98(7) . 1_654
S2B Na3 O1I Na2 148.83(6) . 1_654
Na7 O1I C2I N3I -155.3(2) 1_654 .
Na2 O1I C2I N3I 5.7(6) 1_654 .
Na3 O1I C2I N3I 114.3(3) . .
O1I C2I N3I C5I -177.2(3) . .
O1I C2I N3I C4I -0.6(5) . .
O1H Na2 O1J C2J -72.1(7) . .
O1G Na2 O1J C2J 126.2(7) 1_456 .
O1I Na2 O1J C2J -158.6(7) 1_456 .
S7A Na2 O1J C2J 30.8(7) . .
Na2 O1J C2J N3J 63.5(8) . .
O1J C2J N3J C5J 179.9(3) . .
O1J C2J N3J C4J -1.8(5) . .
O1F Na3 O1K C2K 164.8(3) . .
O1L Na3 O1K C2K 79.2(3) . .
O1G Na3 O1K C2K -134.4(3) . .
O1I Na3 O1K C2K -111.2(3) . .
S2B Na3 O1K C2K -16.2(3) . .
O1F Na3 O1K Na7 -47.39(7) . 1_654
O1L Na3 O1K Na7 -132.98(8) . 1_654
O1G Na3 O1K Na7 13.4(2) . 1_654
O1I Na3 O1K Na7 36.67(7) . 1_654
S2B Na3 O1K Na7 131.63(6) . 1_654
Na3 O1K C2K N3K -66.1(4) . .
Na7 O1K C2K N3K 162.6(2) 1_654 .
O1K C2K N3K C4K 5.1(5) . .
O1K C2K N3K C5K 176.7(3) . .
O1F Na3 O1L C2L -147.0(2) . .
O1K Na3 O1L C2L -61.0(3) . .
O1G Na3 O1L C2L 132.6(2) . .
O1I Na3 O1L C2L 142.0(2) . .
S2B Na3 O1L C2L 29.8(2) . .
O1F Na3 O1L Na8 41.34(7) . 1_654
O1K Na3 O1L Na8 127.32(9) . 1_654
O1G Na3 O1L Na8 -39.05(7) . 1_654
O1I Na3 O1L Na8 -29.71(19) . 1_654
S2B Na3 O1L Na8 -141.85(6) . 1_654
Na3 O1L C2L N3L 173.5(2) . .
Na8 O1L C2L N3L -21.8(6) 1_654 .
O1L C2L N3L C5L 177.6(3) . .
O1L C2L N3L C4L 2.5(5) . .
O1A Na4 O1M C2M 125.1(4) . .
O1N Na4 O1M C2M -69.9(4) . .
O1B Na4 O1M C2M -177.9(4) . .
O1E Na4 O1M C2M 102.6(4) . .
S8B Na4 O1M C2M 24.7(4) . .
Na4 O1M C2M N3M 57.2(6) . .
O1M C2M N3M C4M -2.9(5) . .
O1M C2M N3M C5M -175.2(3) . .
O1M Na4 O1N C2N 86.7(2) . .
O1A Na4 O1N C2N -97.4(2) . .
O1B Na4 O1N C2N -176.1(2) . .
O1E Na4 O1N C2N -73.2(3) . .
S8B Na4 O1N C2N -8.0(2) . .
Na4 O1N C2N N3N 157.9(2) . .
O1N C2N N3N C4N -1.6(5) . .
O1N C2N N3N C5N 178.8(3) . .
O1P Na5 O1O C2O -57.5(9) . .
O1C Na5 O1O C2O -142.4(9) . .
O1A Na5 O1O C2O 140.7(9) . .
S8B Na5 O1O C2O 46.1(9) . .
Na5 O1O C2O N3O 53.8(11) . .
O1O C2O N3O C5O -174.8(3) . .
O1O C2O N3O C4O -2.4(5) . .
O1R Na6 O1P C2P 31.8(3) . .
O1Q Na6 O1P C2P -71.8(3) . .
O1C Na6 O1P C2P -158.7(3) . .
O1D Na6 O1P C2P 131.8(3) . .
O1E Na6 O1P C2P 124.6(3) . .
O1R Na6 O1P Na5 -139.02(9) . .
O1Q Na6 O1P Na5 117.38(9) . .
O1C Na6 O1P Na5 30.52(7) . .
O1D Na6 O1P Na5 -39.05(19) . .
O1E Na6 O1P Na5 -46.21(6) . .
O1O Na5 O1P C2P 60.3(3) . .
O1C Na5 O1P C2P 157.4(2) . .
O1A Na5 O1P C2P -154.0(2) . .
O1E Na5 O1P C2P -120.5(2) . .
S8B Na5 O1P C2P -39.2(2) . .
O1O Na5 O1P Na6 -126.87(8) . .
O1C Na5 O1P Na6 -29.83(7) . .
O1A Na5 O1P Na6 18.78(17) . .
O1E Na5 O1P Na6 52.31(7) . .
S8B Na5 O1P Na6 133.59(6) . .
Na6 O1P C2P N3P 54.8(5) . .
Na5 O1P C2P N3P -137.0(2) . .
O1P C2P N3P C4P 3.1(5) . .
O1P C2P N3P C5P 177.2(3) . .
O1R Na6 O1Q C2Q 64.4(2) . .
O1P Na6 O1Q C2Q 166.7(2) . .
O1C Na6 O1Q C2Q -108.8(2) . .
O1D Na6 O1Q C2Q -24.9(2) . .
O1E Na6 O1Q C2Q -94.1(4) . .
Na6 O1Q C2Q N3Q 131.0(3) . .
O1Q C2Q N3Q C5Q -178.3(3) . .
O1Q C2Q N3Q C4Q 2.3(5) . .
O1P Na6 O1R C2R -158.8(3) . .
O1Q Na6 O1R C2R -46.6(3) . .
O1C Na6 O1R C2R 94.5(6) . .
O1D Na6 O1R C2R 50.7(3) . .
O1E Na6 O1R C2R 127.6(3) . .
Na6 O1R C2R N3R -176.6(2) . .
O1R C2R N3R C4R 1.9(6) . .
O1R C2R N3R C5R -176.9(3) . .
O1H Na7 O1S C2S -136.4(4) . .
O1T Na7 O1S C2S -23.6(4) . .
O1K Na7 O1S C2S 74.5(4) 1_456 .
O1F Na7 O1S C2S 149.5(4) 1_456 .
Na7 O1S C2S N3S -157.8(3) . .
O1S C2S N3S C4S -0.1(6) . .
O1S C2S N3S C5S -177.0(4) . .
O1S Na7 O1T C2T 62.2(2) . .
O1H Na7 O1T C2T 166.6(2) . .
O1I Na7 O1T C2T -109.9(2) 1_456 .
O1K Na7 O1T C2T -27.9(2) 1_456 .
O1F Na7 O1T C2T -96.3(3) 1_456 .
Na7 O1T C2T N3T 134.9(3) . .
O1T C2T N3T C5T -178.9(3) . .
O1T C2T N3T C4T 2.2(5) . .
O1V Na8 O1U C2U -56.4(4) . .
O1G Na8 O1U C2U 113.4(5) 1_456 .
O1L Na8 O1U C2U -166.6(3) 1_456 .
O1F Na8 O1U C2U 114.4(3) 1_456 .
S7A Na8 O1U C2U 33.5(3) . .
Na8 O1U C2U N3U 159.1(2) . .
O1U C2U N3U C4U 1.8(5) . .
O1U C2U N3U C5U -177.0(3) . .
O1U Na8 O1V C2V 49.3(3) . .
O1G Na8 O1V C2V -128.5(2) 1_456 .
O1L Na8 O1V C2V 152.1(2) 1_456 .
O1F Na8 O1V C2V -94.6(4) 1_456 .
S7A Na8 O1V C2V -37.0(2) . .
Na8 O1V C2V N3V 165.0(2) . .
O1V C2V N3V C4V -1.2(5) . .
O1V C2V N3V C5V 174.4(3) . .
