# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_6
_database_code_depnum_ccdc_archive 'CCDC 1054509'
_audit_update_record             
;
2015-05-08 deposited with the CCDC.
2015-06-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_formula_moiety         
'2(C160 H106 Cu2 N48 O40 S8 Zn6), 11.5 Na, 1.65(C3 H7 N O), O33.9'
_chemical_formula_sum            
'C324.95 H223.55 Cu4 N97.65 Na11.50 O115.55 S16 Zn12'
_chemical_formula_weight         9160.80

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.1353 0.1239 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           7
_space_group_name_H-M_alt        'P n'
_space_group_name_Hall           'P -2yac'

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

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

_cell_length_a                   21.91216(13)
_cell_length_b                   32.64068(17)
_cell_length_c                   35.0386(2)
_cell_angle_alpha                90
_cell_angle_beta                 98.2694(6)
_cell_angle_gamma                90
_cell_volume                     24800.0(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    123.0(1)
_cell_measurement_reflns_used    38303
_cell_measurement_theta_min      3.3000
_cell_measurement_theta_max      74.2200

_exptl_crystal_description       plate
_exptl_crystal_colour            brown
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.227
_exptl_crystal_F_000             9279.4
_exptl_crystal_size_max          0.239
_exptl_crystal_size_mid          0.187
_exptl_crystal_size_min          0.086
_exptl_absorpt_coefficient_mu    2.188
_shelx_estimated_absorpt_T_min   0.623
_shelx_estimated_absorpt_T_max   0.834
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.694
_exptl_absorpt_correction_T_max  0.856
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Analytical numeric absorption correction using a multifaceted crystal
 model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;

_diffrn_ambient_temperature      123.0(1)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3953
_diffrn_reflns_number            79830
_diffrn_reflns_av_unetI/netI     0.0331
_diffrn_reflns_av_R_equivalents  0.0271
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         3.315
_diffrn_reflns_theta_max         67.749
_diffrn_reflns_theta_full        67.750
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measured_fraction_theta_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_point_group_measured_fraction_full 0.985
_reflns_number_total             52904
_reflns_number_gt                48845
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.999
_reflns_Friedel_fraction_max     0.985
_reflns_Friedel_fraction_full    0.985

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

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_structure_solution    'Superflip (Palatinus & Chapuis, 2007)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2008)'
_computing_publication_material  'WinGX (Farrugia, 2012)'

_refine_special_details          
;
Refined as a 2-component inversion twin.

SQUEEZE routine of PLATON (Spek, 2009) was used to estimate the contribution of
disordered regions to the structure factors. Resulting .fab file was
subsequently used in the refinement.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1566P)²+2.8606P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.347(16)
_refine_ls_number_reflns         52904
_refine_ls_number_parameters     5333
_refine_ls_number_restraints     6844
_refine_ls_R_factor_all          0.0699
_refine_ls_R_factor_gt           0.0663
_refine_ls_wR_factor_ref         0.1937
_refine_ls_wR_factor_gt          0.1866
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.002
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

# start Validation Reply Form
_vrf_PLAT306_ODZ463A_130111_sm3_Freq_outrej_anal 
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......         O1 Check 
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......         O2 Check 
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......         O3 Check 
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......         O4 Check 
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......         O5 Check 
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......         O6 Check 
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......         O7 Check 
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......         O8 Check 
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......         O9 Check 
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O10 Check 
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O11 Check 
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O12 Check 
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O13 Check 
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O14 Check 
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O15 Check 
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O16 Check 
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O17 Check 
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O18 Check 
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O19 Check 
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O20 Check 
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O21 Check 
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O22 Check 
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O23 Check 
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O24 Check 
RESPONSE: These O atoms represent water molecules. Due to bad disorder and weak diffracting power the hydrogen atoms could not be found in the difference map and were thus omitted from the model.
;
_vrf_PLAT910_ODZ463A_130111_sm3_Freq_outrej_anal 
;
PROBLEM: Missing # of FCF Reflections Below Th(Min) .....         11 Why ? 
RESPONSE: These reflections ended up behind the beamstop.
;
# end Validation Reply Form

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.246 0.500 0.400 6288 1157 ' '

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.74137(5) 0.06981(3) -0.01761(3) 0.0572(2) Uani 1 1 d . U . . .
Cu2 Cu 0.42936(5) 0.11087(3) 0.08774(3) 0.0484(2) Uani 1 1 d . U . . .
Zn3 Zn 0.60318(7) 0.15499(4) 0.29861(3) 0.0729(3) Uani 1 1 d . U . . .
Zn4 Zn 0.92902(5) 0.08190(3) 0.20487(3) 0.0575(2) Uani 1 1 d . U . . .
Zn5 Zn 0.45503(4) 0.17845(3) -0.05305(3) 0.04808(19) Uani 1 1 d . U . . .
Zn6 Zn 0.13142(5) 0.08171(3) 0.01657(3) 0.0576(2) Uani 1 1 d . U . . .
Zn7 Zn 0.32048(5) 0.02621(3) 0.23633(3) 0.0636(3) Uani 1 1 d . U . . .
Cu8 Cu 0.63458(5) 0.11020(3) 0.14845(3) 0.0504(2) Uani 1 1 d . U . . .
Zn9 Zn 0.18882(6) 0.62218(4) 0.18946(4) 0.0691(3) Uani 1 1 d . U . . .
Cu10 Cu 0.48488(5) 0.56790(3) 0.08076(3) 0.0510(2) Uani 1 1 d . U . . .
Zn11 Zn 0.67757(4) 0.51432(3) 0.28081(3) 0.0496(2) Uani 1 1 d . U . . .
Zn12 Zn 0.41590(5) 0.61494(3) 0.40009(3) 0.0630(2) Uani 1 1 d . U . . .
Zn13 Zn 0.25756(4) 0.49928(3) 0.01628(3) 0.0512(2) Uani 1 1 d . U . . .
Zn14 Zn 0.53819(5) 0.60500(3) -0.08834(3) 0.0561(2) Uani 1 1 d . U . . .
Zn15 Zn 0.75813(6) 0.64083(3) 0.12176(4) 0.0707(3) Uani 1 1 d . U . . .
Cu16 Cu 0.45113(7) 0.56802(3) 0.22768(5) 0.0708(3) Uani 1 1 d . U . . .
C2A C 0.8461(5) 0.0198(3) -0.0496(3) 0.077(2) Uani 1 1 d . U . . .
H2A H 0.8204 -0.0036 -0.0493 0.092 Uiso 1 1 calc R U . . .
C3A C 0.9047(5) 0.0157(4) -0.0607(4) 0.090(3) Uani 1 1 d . U . . .
H3A H 0.9201 -0.0103 -0.0666 0.108 Uiso 1 1 calc R U . . .
C4A C 0.9402(6) 0.0517(5) -0.0629(5) 0.105(4) Uani 1 1 d . U . . .
H4A H 0.9784 0.0505 -0.0727 0.126 Uiso 1 1 calc R U . . .
C5A C 0.9199(5) 0.0863(4) -0.0513(4) 0.092(3) Uani 1 1 d . U . . .
H5A H 0.9449 0.1101 -0.0510 0.111 Uiso 1 1 calc R U . . .
C6A C 0.8618(4) 0.0890(3) -0.0392(3) 0.0655(18) Uani 1 1 d . U . . .
C7A C 0.8365(4) 0.1274(3) -0.0248(3) 0.0668(19) Uani 1 1 d . U . . .
H7A H 0.8584 0.1526 -0.0238 0.080 Uiso 1 1 calc R U . . .
C10A C 0.7034(3) 0.1444(2) 0.0110(2) 0.0508(14) Uani 1 1 d . U . . .
C12A C 0.6670(3) 0.1734(2) 0.0316(2) 0.0487(13) Uani 1 1 d . U . . .
C13A C 0.6849(3) 0.2135(2) 0.0421(2) 0.0490(13) Uani 1 1 d . U . . .
H13A H 0.7221 0.2243 0.0353 0.059 Uiso 1 1 calc R U . . .
C14A C 0.6484(3) 0.23746(16) 0.06240(19) 0.0443(12) Uani 1 1 d D U . . .
C15A C 0.5934(3) 0.22211(19) 0.07190(19) 0.0448(12) Uani 1 1 d . U . . .
H15A H 0.5687 0.2390 0.0856 0.054 Uiso 1 1 calc R U . . .
C16A C 0.5742(3) 0.18328(18) 0.06196(18) 0.0425(12) Uani 1 1 d . U . . .
C17A C 0.6108(3) 0.15864(18) 0.04119(19) 0.0447(12) Uani 1 1 d . U . . .
H17A H 0.5974 0.1318 0.0336 0.054 Uiso 1 1 calc R U . . .
C23A C 0.5170(3) 0.16541(19) 0.07254(18) 0.0460(12) Uani 1 1 d . U . . .
C26A C 0.3798(4) 0.1872(2) 0.1002(2) 0.0511(14) Uani 1 1 d . U . . .
H26A H 0.3749 0.2162 0.1002 0.061 Uiso 1 1 calc R U . . .
C27A C 0.3335(3) 0.1592(2) 0.1122(2) 0.0482(13) Uani 1 1 d . U . . .
C28A C 0.2801(4) 0.1707(2) 0.1253(2) 0.0560(15) Uani 1 1 d . U . . .
H28A H 0.2684 0.1987 0.1247 0.067 Uiso 1 1 calc R U . . .
C29A C 0.2435(4) 0.1417(3) 0.1393(3) 0.069(2) Uani 1 1 d . U . . .
H29A H 0.2067 0.1496 0.1487 0.083 Uiso 1 1 calc R U . . .
C30A C 0.2613(4) 0.1001(3) 0.1394(3) 0.0638(18) Uani 1 1 d . U . . .
H30A H 0.2370 0.0794 0.1488 0.077 Uiso 1 1 calc R U . . .
C31A C 0.3150(4) 0.0908(2) 0.1254(2) 0.0589(17) Uani 1 1 d . U . . .
H31A H 0.3271 0.0629 0.1253 0.071 Uiso 1 1 calc R U . . .
N1A N 0.8259(3) 0.0564(2) -0.0392(2) 0.0645(15) Uani 1 1 d . U . . .
N8A N 0.7859(3) 0.12467(19) -0.01419(19) 0.0553(13) Uani 1 1 d . U . . .
N9A N 0.7572(3) 0.15722(19) 0.0016(2) 0.0564(13) Uani 1 1 d . U . . .
N24A N 0.4761(3) 0.19170(16) 0.08077(17) 0.0489(12) Uani 1 1 d . U . . .
N25A N 0.4261(3) 0.17043(16) 0.08975(16) 0.0451(11) Uani 1 1 d . U . . .
N32A N 0.3511(3) 0.11833(17) 0.11205(18) 0.0498(12) Uani 1 1 d . U . . .
O11A O 0.6814(2) 0.10918(15) 0.00420(17) 0.0582(12) Uani 1 1 d . U . . .
O19A O 0.6984(3) 0.30616(15) 0.04830(17) 0.0674(13) Uani 1 1 d D U . . .
O20A O 0.6201(2) 0.30698(14) 0.09001(17) 0.0605(12) Uani 1 1 d D U . . .
O21A O 0.7193(3) 0.27955(15) 0.11302(17) 0.0648(13) Uani 1 1 d D U . . .
O22A O 0.5135(2) 0.12605(14) 0.07402(14) 0.0503(10) Uani 1 1 d . U . . .
S18A S 0.67346(8) 0.28680(4) 0.07935(5) 0.0498(3) Uani 1 1 d D U . . .
C2B C 0.3640(3) 0.0903(2) 0.0027(2) 0.0516(14) Uani 1 1 d . U . . .
H2B H 0.3591 0.1189 -0.0014 0.062 Uiso 1 1 calc R U . . .
C3B C 0.3424(4) 0.0639(3) -0.0270(2) 0.0590(16) Uani 1 1 d . U . . .
H3B H 0.3226 0.0744 -0.0509 0.071 Uiso 1 1 calc R U . . .
C4B C 0.3494(4) 0.0236(3) -0.0220(2) 0.0596(17) Uani 1 1 d . U . . .
H4B H 0.3350 0.0053 -0.0424 0.071 Uiso 1 1 calc R U . . .
C5B C 0.3779(3) 0.0083(2) 0.0132(2) 0.0525(14) Uani 1 1 d . U . . .
H5B H 0.3838 -0.0202 0.0174 0.063 Uiso 1 1 calc R U . . .
C6B C 0.3976(3) 0.0369(2) 0.0423(2) 0.0473(13) Uani 1 1 d . U . . .
C7B C 0.4286(3) 0.0228(2) 0.0798(2) 0.0465(13) Uani 1 1 d . U . . .
H7B H 0.4331 -0.0055 0.0859 0.056 Uiso 1 1 calc R U . . .
C10B C 0.4911(3) 0.00366(19) 0.15660(19) 0.0447(12) Uani 1 1 d . U . . .
C12B C 0.5259(3) 0.0019(2) 0.1961(2) 0.0465(13) Uani 1 1 d . U . . .
C13B C 0.5437(3) -0.0365(2) 0.2111(2) 0.0521(14) Uani 1 1 d . U . . .
H13B H 0.5344 -0.0606 0.1962 0.063 Uiso 1 1 calc R U . . .
C14B C 0.5751(4) -0.0388(2) 0.2479(2) 0.0586(16) Uani 1 1 d D U . . .
C15B C 0.5894(4) -0.0049(2) 0.2703(2) 0.0599(16) Uani 1 1 d . U . . .
H15B H 0.6108 -0.0078 0.2958 0.072 Uiso 1 1 calc R U . . .
C16B C 0.5727(4) 0.0336(2) 0.2558(2) 0.0521(14) Uani 1 1 d . U . . .
C17B C 0.5423(3) 0.0369(2) 0.2181(2) 0.0493(14) Uani 1 1 d . U . . .
H17B H 0.5327 0.0632 0.2073 0.059 Uiso 1 1 calc R U . . .
C23B C 0.5885(4) 0.0719(2) 0.2785(2) 0.0588(16) Uani 1 1 d . U . . .
C26B C 0.6509(8) 0.1076(4) 0.3669(3) 0.097(4) Uani 1 1 d . U . . .
H26B H 0.6648 0.0842 0.3818 0.117 Uiso 1 1 calc R U . . .
C27B C 0.6591(8) 0.1482(4) 0.3830(3) 0.098(4) Uani 1 1 d . U . . .
C28B C 0.6788(10) 0.1530(5) 0.4224(4) 0.124(6) Uani 1 1 d . U . . .
H28B H 0.6864 0.1302 0.4392 0.149 Uiso 1 1 calc R U . . .
C29B C 0.6869(10) 0.1930(5) 0.4357(4) 0.128(6) Uani 1 1 d . U . . .
H29B H 0.7053 0.1979 0.4616 0.153 Uiso 1 1 calc R U . . .
C30B C 0.6687(12) 0.2251(5) 0.4122(5) 0.152(8) Uani 1 1 d . U . . .
H30B H 0.6723 0.2524 0.4215 0.183 Uiso 1 1 calc R U . . .
C31B C 0.6437(10) 0.2167(4) 0.3725(4) 0.125(6) Uani 1 1 d . U . . .
H31B H 0.6293 0.2386 0.3559 0.150 Uiso 1 1 calc R U . . .
N1B N 0.3913(3) 0.07716(17) 0.03700(16) 0.0460(11) Uani 1 1 d . U . . .
N8B N 0.4496(3) 0.05083(15) 0.10416(15) 0.0439(11) Uani 1 1 d . U . . .
N9B N 0.4803(3) 0.04205(17) 0.14050(16) 0.0497(12) Uani 1 1 d . U . . .
H9B H 0.4944 0.0631 0.1548 0.060 Uiso 1 1 calc R U . . .
N24B N 0.6145(5) 0.0663(2) 0.3146(2) 0.0722(19) Uani 1 1 d . U . . .
N25B N 0.6244(5) 0.1037(2) 0.3321(2) 0.0747(19) Uani 1 1 d . U . . .
N32B N 0.6408(6) 0.1785(3) 0.3591(3) 0.094(3) Uani 1 1 d . U . . .
O11B O 0.4733(3) -0.02751(15) 0.13902(16) 0.0626(13) Uani 1 1 d . U . . .
O19B O 0.6256(5) -0.1081(2) 0.2388(2) 0.110(3) Uani 1 1 d D U . . .
O20B O 0.6378(5) -0.0797(3) 0.3027(3) 0.132(4) Uani 1 1 d D U . . .
O21B O 0.5415(4) -0.1066(2) 0.2747(3) 0.098(2) Uani 1 1 d D U . . .
O22B O 0.5751(3) 0.10523(16) 0.26140(15) 0.0627(13) Uani 1 1 d . U . . .
S18B S 0.59811(12) -0.08776(6) 0.26741(8) 0.0775(6) Uani 1 1 d D U . . .
C2C C 0.4677(7) 0.1476(4) 0.3188(4) 0.091(3) Uani 1 1 d . U . . .
H2C H 0.4795 0.1210 0.3280 0.109 Uiso 1 1 calc R U . . .
C3C C 0.4076(8) 0.1614(5) 0.3220(5) 0.109(4) Uani 1 1 d . U . . .
H3C H 0.3784 0.1440 0.3315 0.131 Uiso 1 1 calc R U . . .
C4C C 0.3935(7) 0.2004(4) 0.3111(4) 0.096(3) Uani 1 1 d . U . . .
H4C H 0.3557 0.2122 0.3158 0.115 Uiso 1 1 calc R U . . .
C5C C 0.4327(6) 0.2222(4) 0.2936(3) 0.091(3) Uani 1 1 d . U . . .
H5C H 0.4208 0.2483 0.2831 0.109 Uiso 1 1 calc R U . . .
C6C C 0.4920(5) 0.2068(3) 0.2906(3) 0.078(2) Uani 1 1 d . U . . .
C7C C 0.5378(5) 0.2302(3) 0.2735(3) 0.074(2) Uani 1 1 d . U . . .
H7C H 0.5303 0.2569 0.2631 0.089 Uiso 1 1 calc R U . . .
C10C C 0.6843(5) 0.2015(3) 0.2617(3) 0.0675(18) Uani 1 1 d . U . . .
C12C C 0.7406(5) 0.2147(2) 0.2447(3) 0.0681(18) Uani 1 1 d . U . . .
C13C C 0.7523(4) 0.2562(3) 0.2360(3) 0.0700(19) Uani 1 1 d . U . . .
H13C H 0.7249 0.2772 0.2415 0.084 Uiso 1 1 calc R U . . .
C14C C 0.8030(5) 0.2654(2) 0.2196(3) 0.075(2) Uani 1 1 d D U . . .
C15C C 0.8462(4) 0.2363(2) 0.2100(3) 0.070(2) Uani 1 1 d . U . . .
H15C H 0.8806 0.2437 0.1979 0.084 Uiso 1 1 calc R U . . .
C16C C 0.8345(5) 0.1949(2) 0.2199(3) 0.0662(17) Uani 1 1 d . U . . .
C17C C 0.7833(4) 0.1854(2) 0.2364(3) 0.0666(18) Uani 1 1 d . U . . .
H17C H 0.7764 0.1576 0.2424 0.080 Uiso 1 1 calc R U . . .
C23C C 0.8765(4) 0.1614(3) 0.2097(3) 0.0675(18) Uani 1 1 d . U . . .
C26C C 1.0031(5) 0.1396(4) 0.1686(3) 0.081(2) Uani 1 1 d . U . . .
H26C H 1.0175 0.1653 0.1608 0.097 Uiso 1 1 calc R U . . .
C27C C 1.0334(4) 0.1013(3) 0.1619(3) 0.071(2) Uani 1 1 d . U . . .
C28C C 1.0815(5) 0.1012(5) 0.1398(3) 0.092(3) Uani 1 1 d . U . . .
H28C H 1.0977 0.1257 0.1305 0.110 Uiso 1 1 calc R U . . .
C29C C 1.1048(5) 0.0607(5) 0.1320(3) 0.093(3) Uani 1 1 d . U . . .
H29C H 1.1373 0.0582 0.1169 0.112 Uiso 1 1 calc R U . . .
C30C C 1.0825(6) 0.0291(5) 0.1452(4) 0.100(3) Uani 1 1 d . U . . .
H30C H 1.0988 0.0032 0.1395 0.120 Uiso 1 1 calc R U . . .
C31C C 1.0336(5) 0.0302(4) 0.1685(3) 0.084(2) Uani 1 1 d . U . . .
H31C H 1.0174 0.0057 0.1778 0.100 Uiso 1 1 calc R U . . .
N1C N 0.5080(4) 0.1696(3) 0.3039(2) 0.0763(18) Uani 1 1 d . U . . .
N8C N 0.5907(4) 0.2108(2) 0.2738(2) 0.0670(15) Uani 1 1 d . U . . .
N9C N 0.6368(4) 0.2283(2) 0.2588(2) 0.0703(16) Uani 1 1 d . U . . .
N24C N 0.9239(4) 0.1722(2) 0.1933(2) 0.0687(16) Uani 1 1 d . U . . .
N25C N 0.9563(4) 0.1365(2) 0.1853(2) 0.0661(15) Uani 1 1 d . U . . .
N32C N 1.0117(3) 0.0671(2) 0.1766(2) 0.0646(15) Uani 1 1 d . U . . .
O11C O 0.6851(3) 0.16636(18) 0.27607(19) 0.0718(14) Uani 1 1 d . U . . .
O19C O 0.8643(4) 0.3198(2) 0.1873(3) 0.108(2) Uani 1 1 d D U . . .
O20C O 0.7594(3) 0.33408(18) 0.1915(2) 0.092(2) Uani 1 1 d D U . . .
O21C O 0.8348(4) 0.3364(2) 0.2480(2) 0.107(3) Uani 1 1 d D U . . .
O22C O 0.8629(3) 0.12529(17) 0.2189(2) 0.0708(15) Uani 1 1 d . U . . .
S18C S 0.81731(13) 0.31835(7) 0.21077(9) 0.0847(7) Uani 1 1 d D U . . .
C2D C 1.0153(5) 0.1170(3) 0.2778(2) 0.066(2) Uani 1 1 d . U . . .
H2D H 1.0207 0.1400 0.2620 0.079 Uiso 1 1 calc R U . . .
C3D C 1.0437(5) 0.1175(3) 0.3161(3) 0.075(2) Uani 1 1 d . U . . .
H3D H 1.0689 0.1397 0.3263 0.090 Uiso 1 1 calc R U . . .
C4D C 1.0332(6) 0.0836(3) 0.3390(3) 0.080(3) Uani 1 1 d . U . . .
H4D H 1.0511 0.0826 0.3653 0.096 Uiso 1 1 calc R U . . .
C5D C 0.9968(5) 0.0517(3) 0.3230(2) 0.073(2) Uani 1 1 d . U . . .
H5D H 0.9896 0.0286 0.3382 0.087 Uiso 1 1 calc R U . . .
C6D C 0.9709(4) 0.0537(3) 0.2844(2) 0.0592(16) Uani 1 1 d . U . . .
C7D C 0.9331(4) 0.0214(2) 0.2657(2) 0.0585(16) Uani 1 1 d . U . . .
H7D H 0.9252 -0.0031 0.2788 0.070 Uiso 1 1 calc R U . . .
C10D C 0.8580(3) 0.0153(2) 0.1726(2) 0.0544(14) Uani 1 1 d . U . . .
C12D C 0.8178(3) -0.0098(2) 0.1442(2) 0.0535(14) Uani 1 1 d . U . . .
C13D C 0.7899(4) -0.0463(2) 0.1529(2) 0.0556(15) Uani 1 1 d . U . . .
H13D H 0.7999 -0.0587 0.1775 0.067 Uiso 1 1 calc R U . . .
C14D C 0.7474(4) -0.0641(2) 0.1249(2) 0.0606(16) Uani 1 1 d D U . . .
C15D C 0.7337(4) -0.0487(2) 0.0879(2) 0.0598(17) Uani 1 1 d . U . . .
H15D H 0.7051 -0.0624 0.0692 0.072 Uiso 1 1 calc R U . . .
C16D C 0.7624(3) -0.0131(2) 0.0784(2) 0.0546(15) Uani 1 1 d . U . . .
C17D C 0.8035(3) 0.0068(2) 0.1073(2) 0.0515(14) Uani 1 1 d . U . . .
H17D H 0.8218 0.0320 0.1015 0.062 Uiso 1 1 calc R U . . .
C23D C 0.7486(3) 0.0074(2) 0.0413(2) 0.0539(14) Uani 1 1 d . U . . .
C26D C 0.6585(4) 0.0046(3) -0.0472(2) 0.0624(17) Uani 1 1 d . U . . .
H26D H 0.6374 -0.0209 -0.0478 0.075 Uiso 1 1 calc R U . . .
C27D C 0.6483(4) 0.0326(3) -0.0795(2) 0.0625(17) Uani 1 1 d . U . . .
C28D C 0.6041(5) 0.0264(4) -0.1114(3) 0.082(2) Uani 1 1 d . U . . .
H28D H 0.5785 0.0028 -0.1129 0.098 Uiso 1 1 calc R U . . .
C29D C 0.5974(6) 0.0539(5) -0.1405(3) 0.094(3) Uani 1 1 d . U . . .
H29D H 0.5667 0.0496 -0.1622 0.113 Uiso 1 1 calc R U . . .
C30D C 0.6341(6) 0.0880(5) -0.1392(3) 0.094(3) Uani 1 1 d . U . . .
H30D H 0.6300 0.1076 -0.1594 0.113 Uiso 1 1 calc R U . . .
C31D C 0.6788(6) 0.0919(4) -0.1057(3) 0.083(2) Uani 1 1 d . U . . .
H31D H 0.7061 0.1147 -0.1046 0.099 Uiso 1 1 calc R U . . .
N1D N 0.9820(3) 0.0866(2) 0.26283(17) 0.0553(13) Uani 1 1 d . U . . .
N8D N 0.9105(3) 0.02779(19) 0.22994(18) 0.0531(12) Uani 1 1 d . U . . .
N9D N 0.8748(3) -0.00080(19) 0.20844(19) 0.0531(12) Uani 1 1 d . U . . .
N24D N 0.7068(3) -0.0096(2) 0.01331(18) 0.0557(13) Uani 1 1 d . U . . .
N25D N 0.6971(3) 0.0155(2) -0.01783(18) 0.0567(13) Uani 1 1 d . U . . .
N32D N 0.6854(4) 0.0673(2) -0.0764(2) 0.0653(15) Uani 1 1 d . U . . .
O11D O 0.8730(3) 0.05015(18) 0.16205(16) 0.0650(13) Uani 1 1 d . U . . .
O19D O 0.6959(3) -0.13498(16) 0.10700(16) 0.0695(14) Uani 1 1 d D U . . .
O20D O 0.7398(3) -0.12313(19) 0.17290(17) 0.0796(18) Uani 1 1 d D U . . .
O21D O 0.6450(3) -0.08969(18) 0.14633(19) 0.0751(15) Uani 1 1 d D U . . .
O22D O 0.7741(3) 0.04235(16) 0.03762(15) 0.0565(11) Uani 1 1 d . U . . .
S18D S 0.70450(11) -0.10660(6) 0.13868(6) 0.0669(5) Uani 1 1 d D U . . .
C2E C 0.5922(4) 0.1817(2) -0.0752(2) 0.0605(17) Uani 1 1 d . U . . .
H2E H 0.5837 0.1557 -0.0871 0.073 Uiso 1 1 calc R U . . .
C3E C 0.6481(4) 0.1991(3) -0.0766(3) 0.069(2) Uani 1 1 d . U . . .
H3E H 0.6781 0.1852 -0.0888 0.083 Uiso 1 1 calc R U . . .
C4E C 0.6614(4) 0.2373(3) -0.0601(3) 0.068(2) Uani 1 1 d . U . . .
H4E H 0.6995 0.2507 -0.0619 0.082 Uiso 1 1 calc R U . . .
C5E C 0.6172(4) 0.2554(2) -0.0408(2) 0.0561(16) Uani 1 1 d . U . . .
H5E H 0.6250 0.2811 -0.0282 0.067 Uiso 1 1 calc R U . . .
C6E C 0.5617(3) 0.23549(19) -0.0403(2) 0.0476(13) Uani 1 1 d . U . . .
C7E C 0.5145(3) 0.25267(18) -0.0203(2) 0.0496(14) Uani 1 1 d . U . . .
H7E H 0.5197 0.2783 -0.0073 0.060 Uiso 1 1 calc R U . . .
C10E C 0.3725(3) 0.2150(2) -0.0078(2) 0.0529(14) Uani 1 1 d . U . . .
C12E C 0.3171(3) 0.2228(2) 0.0110(2) 0.0497(13) Uani 1 1 d . U . . .
C13E C 0.3066(4) 0.2602(2) 0.0282(2) 0.0569(16) Uani 1 1 d . U . . .
H13E H 0.3347 0.2822 0.0274 0.068 Uiso 1 1 calc R U . . .
C14E C 0.2544(3) 0.26501(18) 0.0467(2) 0.0539(15) Uani 1 1 d D U . . .
C15E C 0.2123(3) 0.2343(2) 0.0477(2) 0.0531(15) Uani 1 1 d . U . . .
H15E H 0.1763 0.2385 0.0593 0.064 Uiso 1 1 calc R U . . .
C16E C 0.2238(3) 0.1959(2) 0.0308(2) 0.0534(14) Uani 1 1 d . U . . .
C17E C 0.2746(3) 0.1916(2) 0.0130(2) 0.0503(14) Uani 1 1 d . U . . .
H17E H 0.2814 0.1660 0.0014 0.060 Uiso 1 1 calc R U . . .
C23E C 0.1814(3) 0.1601(2) 0.0315(2) 0.0530(15) Uani 1 1 d . U . . .
C26E C 0.0399(4) 0.1297(3) 0.0501(3) 0.070(2) Uani 1 1 d . U . . .
H26E H 0.0194 0.1530 0.0585 0.084 Uiso 1 1 calc R U . . .
C27E C 0.0106(4) 0.0884(3) 0.0458(3) 0.075(2) Uani 1 1 d . U . . .
C28E C -0.0464(5) 0.0819(4) 0.0539(4) 0.096(3) Uani 1 1 d . U . . .
H28E H -0.0693 0.1036 0.0631 0.116 Uiso 1 1 calc R U . . .
C29E C -0.0716(7) 0.0431(5) 0.0489(5) 0.112(4) Uani 1 1 d . U . . .
H29E H -0.1124 0.0377 0.0538 0.134 Uiso 1 1 calc R U . . .
C30E C -0.0351(7) 0.0117(5) 0.0363(5) 0.113(4) Uani 1 1 d . U . . .
H30E H -0.0491 -0.0158 0.0338 0.135 Uiso 1 1 calc R U . . .
C31E C 0.0207(5) 0.0227(3) 0.0280(4) 0.083(3) Uani 1 1 d . U . . .
H31E H 0.0451 0.0016 0.0193 0.100 Uiso 1 1 calc R U . . .
N1E N 0.5487(3) 0.19941(16) -0.05810(17) 0.0486(11) Uani 1 1 d . U . . .
N8E N 0.4644(3) 0.23094(15) -0.02097(16) 0.0446(11) Uani 1 1 d . U . . .
N9E N 0.4169(3) 0.24384(17) -0.00242(18) 0.0495(12) Uani 1 1 d . U . . .
N24E N 0.1276(3) 0.1667(2) 0.0447(2) 0.0633(16) Uani 1 1 d . U . . .
N25E N 0.0946(3) 0.1314(2) 0.0416(2) 0.0593(15) Uani 1 1 d . U . . .
N32E N 0.0447(3) 0.0591(2) 0.0306(2) 0.0636(15) Uani 1 1 d . U . . .
O11E O 0.3745(2) 0.18198(14) -0.02716(16) 0.0526(10) Uani 1 1 d . U . . .
O19E O 0.2072(3) 0.3366(2) 0.0355(2) 0.089(2) Uani 1 1 d D U . . .
O20E O 0.2084(3) 0.30609(19) 0.0981(2) 0.0817(17) Uani 1 1 d D U . . .
O21E O 0.3029(2) 0.33031(14) 0.07858(17) 0.0573(12) Uani 1 1 d D U . . .
O22E O 0.1988(3) 0.12662(16) 0.01834(19) 0.0635(13) Uani 1 1 d . U . . .
S18E S 0.24229(8) 0.31396(5) 0.06656(7) 0.0615(5) Uani 1 1 d D U . . .
C2F C 0.0613(5) 0.1320(3) -0.0583(3) 0.077(2) Uani 1 1 d . U . . .
H2F H 0.0491 0.1514 -0.0406 0.092 Uiso 1 1 calc R U . . .
C3F C 0.0442(7) 0.1386(4) -0.0982(4) 0.095(3) Uani 1 1 d . U . . .
H3F H 0.0213 0.1621 -0.1075 0.115 Uiso 1 1 calc R U . . .
C4F C 0.0616(6) 0.1098(4) -0.1231(4) 0.093(3) Uani 1 1 d . U . . .
H4F H 0.0499 0.1129 -0.1501 0.112 Uiso 1 1 calc R U . . .
C5F C 0.0954(6) 0.0772(3) -0.1091(3) 0.080(2) Uani 1 1 d . U . . .
H5F H 0.1077 0.0575 -0.1264 0.096 Uiso 1 1 calc R U . . .
C6F C 0.1120(5) 0.0720(3) -0.0703(3) 0.0698(19) Uani 1 1 d . U . . .
C7F C 0.1473(5) 0.0375(3) -0.0530(3) 0.076(2) Uani 1 1 d . U . . .
H7F H 0.1599 0.0163 -0.0687 0.091 Uiso 1 1 calc R U . . .
C10F C 0.2052(3) 0.0125(2) 0.0395(2) 0.0543(14) Uani 1 1 d . U . . .
C12F C 0.2472(3) -0.0175(2) 0.0646(2) 0.0547(15) Uani 1 1 d . U . . .
C13F C 0.2766(4) -0.0491(2) 0.0487(3) 0.0594(16) Uani 1 1 d . U . . .
H13F H 0.2687 -0.0547 0.0219 0.071 Uiso 1 1 calc R U . . .
C14F C 0.3185(4) -0.0728(2) 0.0736(3) 0.0614(16) Uani 1 1 d D U . . .
C15F C 0.3313(4) -0.0649(2) 0.1122(3) 0.0633(17) Uani 1 1 d . U . . .
H15F H 0.3603 -0.0812 0.1284 0.076 Uiso 1 1 calc R U . . .
C16F C 0.3005(4) -0.0319(2) 0.1276(3) 0.0602(16) Uani 1 1 d . U . . .
C17F C 0.2589(4) -0.0094(2) 0.1035(2) 0.0554(15) Uani 1 1 d . U . . .
H17F H 0.2375 0.0123 0.1138 0.066 Uiso 1 1 calc R U . . .
C23F C 0.3153(4) -0.0205(2) 0.1693(3) 0.0586(15) Uani 1 1 d . U . . .
C26F C 0.4093(4) -0.0382(3) 0.2544(3) 0.0676(18) Uani 1 1 d . U . . .
H26F H 0.4317 -0.0627 0.2516 0.081 Uiso 1 1 calc R U . . .
C27F C 0.4206(4) -0.0144(3) 0.2895(3) 0.0698(19) Uani 1 1 d . U . . .
C28F C 0.4666(5) -0.0229(4) 0.3182(3) 0.086(2) Uani 1 1 d . U . . .
H28F H 0.4921 -0.0463 0.3168 0.103 Uiso 1 1 calc R U . . .
C29F C 0.4764(6) 0.0042(4) 0.3512(3) 0.091(3) Uani 1 1 d . U . . .
H29F H 0.5092 0.0004 0.3718 0.109 Uiso 1 1 calc R U . . .
C30F C 0.4364(6) 0.0348(4) 0.3508(3) 0.088(3) Uani 1 1 d . U . . .
H30F H 0.4412 0.0532 0.3721 0.105 Uiso 1 1 calc R U . . .
C31F C 0.3884(5) 0.0417(3) 0.3215(3) 0.080(2) Uani 1 1 d . U . . .
H31F H 0.3607 0.0637 0.3234 0.096 Uiso 1 1 calc R U . . .
N1F N 0.0940(4) 0.0993(2) -0.0445(2) 0.0687(16) Uani 1 1 d . U . . .
N8F N 0.1613(3) 0.0358(2) -0.0167(2) 0.0600(14) Uani 1 1 d . U . . .
N9F N 0.1966(4) 0.0057(2) 0.0017(2) 0.0668(16) Uani 1 1 d . U . . .
N24F N 0.3574(4) -0.0424(2) 0.1916(2) 0.0660(16) Uani 1 1 d . U . . .
N25F N 0.3682(3) -0.0254(2) 0.2270(2) 0.0646(15) Uani 1 1 d . U . . .
N32F N 0.3809(3) 0.0179(2) 0.2910(2) 0.0652(15) Uani 1 1 d . U . . .
O11F O 0.1819(3) 0.04149(16) 0.05707(17) 0.0580(11) Uani 1 1 d . U . . .
O19F O 0.4096(3) -0.09056(19) 0.0390(2) 0.0829(18) Uani 1 1 d D U . . .
O20F O 0.3824(3) -0.13865(15) 0.08522(17) 0.0705(15) Uani 1 1 d D U . . .
O21F O 0.3201(4) -0.1326(2) 0.0242(2) 0.097(2) Uani 1 1 d D U . . .
O22F O 0.2880(3) 0.01083(17) 0.17964(18) 0.0636(13) Uani 1 1 d . U . . .
S18F S 0.36053(10) -0.11178(6) 0.05335(7) 0.0643(5) Uani 1 1 d D U . . .
C2G C 0.2109(6) -0.0319(4) 0.2583(5) 0.102(4) Uani 1 1 d . U . . .
H2G H 0.2378 -0.0543 0.2558 0.123 Uiso 1 1 calc R U . . .
C3G C 0.1506(6) -0.0403(5) 0.2656(5) 0.109(4) Uani 1 1 d . U . . .
H3G H 0.1374 -0.0676 0.2689 0.130 Uiso 1 1 calc R U . . .
C4G C 0.1117(6) -0.0083(4) 0.2677(4) 0.100(3) Uani 1 1 d . U . . .
H4G H 0.0710 -0.0126 0.2731 0.120 Uiso 1 1 calc R U . . .
C5G C 0.1327(5) 0.0304(4) 0.2620(4) 0.092(3) Uani 1 1 d . U . . .
H5G H 0.1056 0.0530 0.2629 0.110 Uiso 1 1 calc R U . . .
C6G C 0.1924(4) 0.0376(3) 0.2549(3) 0.070(2) Uani 1 1 d . U . . .
C7G C 0.2175(5) 0.0774(3) 0.2501(3) 0.074(2) Uani 1 1 d . U . . .
H7G H 0.1943 0.1016 0.2529 0.089 Uiso 1 1 calc R U . . .
C10G C 0.3551(4) 0.1085(2) 0.2231(2) 0.0572(15) Uani 1 1 d . U . . .
C12G C 0.3898(4) 0.1439(2) 0.2113(2) 0.0573(15) Uani 1 1 d . U . . .
C13G C 0.3692(4) 0.1844(2) 0.2096(2) 0.0566(16) Uani 1 1 d . U . . .
H13G H 0.3310 0.1912 0.2177 0.068 Uiso 1 1 calc R U . . .
C14G C 0.4046(4) 0.21412(19) 0.1963(2) 0.0577(16) Uani 1 1 d D U . . .
C15G C 0.4613(4) 0.2058(2) 0.1848(2) 0.0531(15) Uani 1 1 d . U . . .
H15G H 0.4852 0.2270 0.1758 0.064 Uiso 1 1 calc R U . . .
C16G C 0.4823(3) 0.16533(19) 0.1867(2) 0.0486(13) Uani 1 1 d . U . . .
C17G C 0.4466(4) 0.1356(2) 0.1992(2) 0.0511(14) Uani 1 1 d . U . . .
H17G H 0.4607 0.1080 0.1998 0.061 Uiso 1 1 calc R U . . .
C23G C 0.5407(4) 0.1541(2) 0.1731(2) 0.0499(13) Uani 1 1 d . U . . .
C26G C 0.6793(3) 0.18945(19) 0.15197(19) 0.0476(13) Uani 1 1 d . U . . .
H26G H 0.6830 0.2177 0.1584 0.057 Uiso 1 1 calc R U . . .
C27G C 0.7259(3) 0.1677(2) 0.1338(2) 0.0503(13) Uani 1 1 d . U . . .
C28G C 0.7788(4) 0.1841(2) 0.1246(2) 0.0578(16) Uani 1 1 d . U . . .
H28G H 0.7888 0.2118 0.1307 0.069 Uiso 1 1 calc R U . . .
C29G C 0.8170(4) 0.1609(2) 0.1067(3) 0.069(2) Uani 1 1 d . U . . .
H29G H 0.8548 0.1722 0.1012 0.082 Uiso 1 1 calc R U . . .
C30G C 0.8020(5) 0.1203(3) 0.0960(4) 0.079(3) Uani 1 1 d . U . . .
H30G H 0.8275 0.1039 0.0824 0.094 Uiso 1 1 calc R U . . .
C31G C 0.7460(4) 0.1057(2) 0.1069(3) 0.066(2) Uani 1 1 d . U . . .
H31G H 0.7338 0.0784 0.1000 0.079 Uiso 1 1 calc R U . . .
N1G N 0.2322(4) 0.0061(3) 0.2548(2) 0.0721(18) Uani 1 1 d . U . . .
N8G N 0.2730(3) 0.0792(2) 0.2420(2) 0.0619(14) Uani 1 1 d . U . . .
N9G N 0.2989(3) 0.1158(2) 0.2344(2) 0.0656(16) Uani 1 1 d . U . . .
N24G N 0.5829(3) 0.18380(17) 0.17265(18) 0.0538(13) Uani 1 1 d . U . . .
N25G N 0.6337(3) 0.16798(16) 0.15849(16) 0.0472(11) Uani 1 1 d . U . . .
N32G N 0.7107(3) 0.12712(18) 0.1255(2) 0.0557(13) Uani 1 1 d . U . . .
O11G O 0.3783(3) 0.07358(17) 0.22143(19) 0.0663(14) Uani 1 1 d . U . . .
O19G O 0.3724(3) 0.27401(15) 0.15012(15) 0.0654(13) Uani 1 1 d D U . . .
O20G O 0.3205(3) 0.26821(19) 0.2057(2) 0.0870(19) Uani 1 1 d D U . . .
O21G O 0.4250(3) 0.28909(17) 0.2145(2) 0.0863(19) Uani 1 1 d D U . . .
O22G O 0.5493(2) 0.11686(13) 0.16341(14) 0.0489(10) Uani 1 1 d . U . . .
S18G S 0.37889(10) 0.26609(5) 0.19118(6) 0.0606(4) Uani 1 1 d D U . . .
C2H C 0.7045(4) 0.0811(3) 0.2302(2) 0.0618(17) Uani 1 1 d . U . . .
H2H H 0.7048 0.1091 0.2378 0.074 Uiso 1 1 calc R U . . .
C3H C 0.7324(5) 0.0527(3) 0.2563(3) 0.072(2) Uani 1 1 d . U . . .
H3H H 0.7519 0.0612 0.2810 0.086 Uiso 1 1 calc R U . . .
C4H C 0.7316(5) 0.0111(3) 0.2459(2) 0.068(2) Uani 1 1 d . U . . .
H4H H 0.7495 -0.0093 0.2635 0.082 Uiso 1 1 calc R U . . .
C5H C 0.7038(4) 0.0008(3) 0.2092(2) 0.0625(18) Uani 1 1 d . U . . .
H5H H 0.7024 -0.0268 0.2007 0.075 Uiso 1 1 calc R U . . .
C6H C 0.6772(3) 0.0327(2) 0.18452(19) 0.0477(13) Uani 1 1 d . U . . .
C7H C 0.6473(3) 0.0231(2) 0.1458(2) 0.0501(14) Uani 1 1 d . U . . .
H7H H 0.6447 -0.0042 0.1364 0.060 Uiso 1 1 calc R U . . .
C10H C 0.5819(3) 0.01342(18) 0.06824(18) 0.0410(11) Uani 1 1 d . U . . .
C12H C 0.5522(3) 0.01686(17) 0.02848(18) 0.0412(12) Uani 1 1 d . U . . .
C13H C 0.5422(3) -0.02041(18) 0.00783(18) 0.0450(13) Uani 1 1 d . U . . .
H13H H 0.5555 -0.0456 0.0199 0.054 Uiso 1 1 calc R U . . .
C14H C 0.5131(3) -0.02005(17) -0.02995(19) 0.0487(14) Uani 1 1 d D U . . .
C15H C 0.4931(3) 0.01610(19) -0.04818(19) 0.0456(13) Uani 1 1 d . U . . .
H15H H 0.4721 0.0156 -0.0738 0.055 Uiso 1 1 calc R U . . .
C16H C 0.5041(3) 0.05349(18) -0.02866(19) 0.0438(12) Uani 1 1 d . U . . .
C17H C 0.5320(3) 0.05337(18) 0.00967(18) 0.0413(12) Uani 1 1 d . U . . .
H17H H 0.5374 0.0785 0.0233 0.050 Uiso 1 1 calc R U . . .
C23H C 0.4827(3) 0.09326(19) -0.04599(18) 0.0430(12) Uani 1 1 d . U . . .
C26H C 0.4074(4) 0.1392(2) -0.1265(2) 0.0609(18) Uani 1 1 d . U . . .
H26H H 0.3982 0.1182 -0.1451 0.073 Uiso 1 1 calc R U . . .
C27H C 0.3873(4) 0.1816(3) -0.1341(3) 0.0642(18) Uani 1 1 d . U . . .
C28H C 0.3506(6) 0.1925(4) -0.1680(3) 0.091(3) Uani 1 1 d . U . . .
H28H H 0.3399 0.1734 -0.1883 0.109 Uiso 1 1 calc R U . . .
C29H C 0.3298(7) 0.2336(4) -0.1710(4) 0.109(4) Uani 1 1 d . U . . .
H29H H 0.3021 0.2421 -0.1929 0.130 Uiso 1 1 calc R U . . .
C30H C 0.3483(9) 0.2595(4) -0.1439(5) 0.131(6) Uani 1 1 d . U . . .
H30H H 0.3367 0.2875 -0.1469 0.157 Uiso 1 1 calc R U . . .
C31H C 0.3850(6) 0.2468(3) -0.1104(3) 0.087(3) Uani 1 1 d . U . . .
H31H H 0.3955 0.2659 -0.0901 0.104 Uiso 1 1 calc R U . . .
N1H N 0.6778(3) 0.07170(19) 0.19551(18) 0.0525(12) Uani 1 1 d . U . . .
N8H N 0.6245(3) 0.05337(16) 0.12493(16) 0.0474(11) Uani 1 1 d . U . . .
N9H N 0.5950(3) 0.04919(16) 0.08743(17) 0.0523(13) Uani 1 1 d . U . . .
H9H H 0.5836 0.0719 0.0748 0.063 Uiso 1 1 calc R U . . .
N24H N 0.4579(3) 0.09378(17) -0.08294(17) 0.0520(13) Uani 1 1 d . U . . .
N25H N 0.4383(3) 0.13214(18) -0.09313(17) 0.0514(12) Uani 1 1 d . U . . .
N32H N 0.4055(3) 0.2091(2) -0.1059(2) 0.0634(15) Uani 1 1 d . U . . .
O11H O 0.5947(3) -0.01944(15) 0.08407(16) 0.0680(16) Uani 1 1 d . U . . .
O19H O 0.4906(3) -0.09808(14) -0.02641(14) 0.0621(13) Uani 1 1 d D U . . .
O20H O 0.4533(3) -0.06201(16) -0.08521(15) 0.0657(14) Uani 1 1 d D U . . .
O21H O 0.5613(3) -0.07464(17) -0.06847(17) 0.0674(14) Uani 1 1 d D U . . .
O22H O 0.4889(2) 0.12466(13) -0.02406(13) 0.0476(10) Uani 1 1 d . U . . .
S18H S 0.50336(9) -0.06791(5) -0.05470(5) 0.0511(4) Uani 1 1 d D U . . .
C2I C 0.0937(7) 0.6725(4) 0.2352(4) 0.096(3) Uani 1 1 d . U . . .
H2I H 0.1077 0.6968 0.2244 0.115 Uiso 1 1 calc R U . . .
C3I C 0.0494(7) 0.6742(5) 0.2615(4) 0.106(3) Uani 1 1 d . U . . .
H3I H 0.0309 0.6996 0.2664 0.127 Uiso 1 1 calc R U . . .
C4I C 0.0334(7) 0.6391(5) 0.2801(4) 0.105(3) Uani 1 1 d . U . . .
H4I H 0.0065 0.6403 0.2990 0.126 Uiso 1 1 calc R U . . .
C5I C 0.0569(6) 0.6037(4) 0.2705(4) 0.097(3) Uani 1 1 d . U . . .
H5I H 0.0449 0.5790 0.2817 0.116 Uiso 1 1 calc R U . . .
C6I C 0.0992(5) 0.6023(3) 0.2441(3) 0.076(2) Uani 1 1 d . U . . .
C7I C 0.1288(5) 0.5641(3) 0.2334(3) 0.072(2) Uani 1 1 d . U . . .
H7I H 0.1186 0.5385 0.2437 0.087 Uiso 1 1 calc R U . . .
C10I C 0.2414(4) 0.5433(2) 0.1790(2) 0.0496(14) Uani 1 1 d . U . . .
C12I C 0.2799(3) 0.51038(19) 0.16587(19) 0.0468(13) Uani 1 1 d . U . . .
C13I C 0.2775(3) 0.46939(19) 0.1764(2) 0.0472(13) Uani 1 1 d . U . . .
H13I H 0.2477 0.4601 0.1916 0.057 Uiso 1 1 calc R U . . .
C14I C 0.3207(3) 0.44166(17) 0.1639(2) 0.0488(13) Uani 1 1 d D U . . .
C15I C 0.3636(3) 0.45438(19) 0.1421(2) 0.0479(13) Uani 1 1 d . U . . .
H15I H 0.3922 0.4354 0.1342 0.057 Uiso 1 1 calc R U . . .
C16I C 0.3653(4) 0.49618(19) 0.1313(2) 0.0485(13) Uani 1 1 d . U . . .
C17I C 0.3240(4) 0.52271(18) 0.14311(19) 0.0485(13) Uani 1 1 d . U . . .
H17I H 0.3252 0.5506 0.1356 0.058 Uiso 1 1 calc R U . . .
C23I C 0.4130(3) 0.51229(18) 0.10974(19) 0.0446(12) Uani 1 1 d . U . . .
C26I C 0.5311(3) 0.49377(18) 0.05966(19) 0.0454(13) Uani 1 1 d . U . . .
H26I H 0.5342 0.4652 0.0553 0.055 Uiso 1 1 calc R U . . .
C27I C 0.5747(3) 0.52298(19) 0.04725(19) 0.0455(12) Uani 1 1 d . U . . .
C28I C 0.6242(4) 0.5121(2) 0.0297(2) 0.0545(15) Uani 1 1 d . U . . .
H28I H 0.6313 0.4843 0.0236 0.065 Uiso 1 1 calc R U . . .
C29I C 0.6642(4) 0.5433(2) 0.0211(3) 0.0613(17) Uani 1 1 d . U . . .
H29I H 0.6980 0.5371 0.0079 0.074 Uiso 1 1 calc R U . . .
C30I C 0.6541(4) 0.5823(3) 0.0317(3) 0.0647(19) Uani 1 1 d . U . . .
H30I H 0.6824 0.6032 0.0273 0.078 Uiso 1 1 calc R U . . .
C31I C 0.6028(4) 0.5921(2) 0.0491(3) 0.0620(18) Uani 1 1 d . U . . .
H31I H 0.5956 0.6198 0.0554 0.074 Uiso 1 1 calc R U . . .
N1I N 0.1152(4) 0.6353(3) 0.2261(2) 0.0734(18) Uani 1 1 d . U . . .
N8I N 0.1676(3) 0.5663(2) 0.2105(2) 0.0615(15) Uani 1 1 d . U . . .
N9I N 0.1973(4) 0.5319(2) 0.1999(2) 0.0631(16) Uani 1 1 d . U . . .
N24I N 0.4472(3) 0.48649(16) 0.09295(18) 0.0516(13) Uani 1 1 d . U . . .
N25I N 0.4892(3) 0.50843(16) 0.07645(17) 0.0487(11) Uani 1 1 d . U . . .
N32I N 0.5629(3) 0.56265(16) 0.05718(18) 0.0485(12) Uani 1 1 d . U . . .
O11I O 0.2548(3) 0.58002(15) 0.17102(16) 0.0608(12) Uani 1 1 d . U . . .
O19I O 0.2631(3) 0.37339(16) 0.1738(2) 0.0734(15) Uani 1 1 d D U . . .
O20I O 0.3691(3) 0.36967(16) 0.16228(18) 0.0709(14) Uani 1 1 d D U . . .
O21I O 0.3454(3) 0.39415(15) 0.22238(14) 0.0603(12) Uani 1 1 d D U . . .
O22I O 0.4199(3) 0.55148(14) 0.11068(15) 0.0550(11) Uani 1 1 d . U . . .
S18I S 0.32396(9) 0.39055(4) 0.18167(5) 0.0517(4) Uani 1 1 d D U . . .
C2J C 0.3948(4) 0.5920(2) 0.0045(2) 0.0540(15) Uani 1 1 d . U . . .
H2J H 0.3935 0.5636 -0.0017 0.065 Uiso 1 1 calc R U . . .
C3J C 0.3606(4) 0.6177(3) -0.0204(3) 0.0660(19) Uani 1 1 d . U . . .
H3J H 0.3363 0.6077 -0.0431 0.079 Uiso 1 1 calc R U . . .
C4J C 0.3626(4) 0.6603(2) -0.0110(3) 0.066(2) Uani 1 1 d . U . . .
H4J H 0.3399 0.6796 -0.0276 0.079 Uiso 1 1 calc R U . . .
C5J C 0.3981(4) 0.6725(2) 0.0223(2) 0.0549(16) Uani 1 1 d . U . . .
H5J H 0.3996 0.7006 0.0294 0.066 Uiso 1 1 calc R U . . .
C6J C 0.4313(3) 0.64424(18) 0.04558(19) 0.0450(13) Uani 1 1 d . U . . .
C7J C 0.4691(4) 0.65621(19) 0.0817(2) 0.0520(15) Uani 1 1 d . U . . .
H7J H 0.4734 0.6841 0.0892 0.062 Uiso 1 1 calc R U . . .
C10J C 0.5481(3) 0.67396(17) 0.15326(19) 0.0449(13) Uani 1 1 d . U . . .
C12J C 0.5891(4) 0.6741(2) 0.1902(2) 0.0518(15) Uani 1 1 d . U . . .
C13J C 0.6076(4) 0.7114(2) 0.2065(2) 0.0567(16) Uani 1 1 d . U . . .
H13J H 0.5933 0.7361 0.1939 0.068 Uiso 1 1 calc R U . . .
C14J C 0.6465(5) 0.71291(18) 0.2408(2) 0.0625(19) Uani 1 1 d D U . . .
C15J C 0.6700(4) 0.6776(2) 0.2601(2) 0.0574(17) Uani 1 1 d . U . . .
H15J H 0.6977 0.6794 0.2835 0.069 Uiso 1 1 calc R U . . .
C16J C 0.6516(4) 0.63945(19) 0.24376(19) 0.0482(14) Uani 1 1 d . U . . .
C17J C 0.6109(3) 0.63766(18) 0.20992(19) 0.0455(13) Uani 1 1 d . U . . .
H17J H 0.5972 0.6118 0.1997 0.055 Uiso 1 1 calc R U . . .
C23J C 0.6712(3) 0.59956(19) 0.2636(2) 0.0489(14) Uani 1 1 d . U . . .
C26J C 0.7548(4) 0.5574(2) 0.3431(2) 0.0612(18) Uani 1 1 d . U . . .
H26J H 0.7733 0.5799 0.3575 0.073 Uiso 1 1 calc R U . . .
C27J C 0.7643(4) 0.5156(2) 0.3571(2) 0.0574(16) Uani 1 1 d . U . . .
C28J C 0.7978(5) 0.5061(3) 0.3922(3) 0.072(2) Uani 1 1 d . U . . .
H28J H 0.8192 0.5271 0.4074 0.086 Uiso 1 1 calc R U . . .
C29J C 0.8006(6) 0.4659(3) 0.4055(3) 0.082(3) Uani 1 1 d . U . . .
H29J H 0.8212 0.4595 0.4305 0.098 Uiso 1 1 calc R U . . .
C30J C 0.7724(6) 0.4350(3) 0.3813(3) 0.083(3) Uani 1 1 d . U . . .
H30J H 0.7757 0.4069 0.3884 0.100 Uiso 1 1 calc R U . . .
C31J C 0.7398(5) 0.4474(2) 0.3466(2) 0.0660(19) Uani 1 1 d . U . . .
H31J H 0.7191 0.4270 0.3303 0.079 Uiso 1 1 calc R U . . .
N1J N 0.4300(3) 0.60323(15) 0.03687(16) 0.0444(11) Uani 1 1 d . U . . .
N8J N 0.4951(4) 0.62881(17) 0.10213(17) 0.0594(15) Uani 1 1 d . U . . .
N9J N 0.5290(5) 0.63606(19) 0.1375(2) 0.088(3) Uani 1 1 d . U . . .
H9J H 0.5400 0.6144 0.1519 0.106 Uiso 1 1 calc R U . . .
N24J N 0.7081(3) 0.60209(17) 0.29660(18) 0.0533(13) Uani 1 1 d . U . . .
N25J N 0.7210(3) 0.56273(17) 0.31093(17) 0.0511(12) Uani 1 1 d . U . . .
N32J N 0.7353(3) 0.48592(19) 0.33456(18) 0.0550(13) Uani 1 1 d . U . . .
O11J O 0.5289(3) 0.70524(15) 0.13758(18) 0.0721(17) Uani 1 1 d . U . . .
O19J O 0.6241(4) 0.79056(18) 0.2456(2) 0.103(2) Uani 1 1 d D U . . .
O20J O 0.6734(5) 0.75503(19) 0.30298(17) 0.102(3) Uani 1 1 d D U . . .
O21J O 0.7275(4) 0.7701(2) 0.2504(2) 0.099(2) Uani 1 1 d D U . . .
O22J O 0.6490(2) 0.56682(13) 0.24704(14) 0.0513(10) Uani 1 1 d . U . . .
S18J S 0.66863(15) 0.76110(6) 0.26238(6) 0.0809(7) Uani 1 1 d D U . . .
C2K C 0.7883(4) 0.5109(3) 0.2338(3) 0.0656(18) Uani 1 1 d . U . . .
H2K H 0.7993 0.5370 0.2446 0.079 Uiso 1 1 calc R U . . .
C3K C 0.8264(5) 0.4928(3) 0.2095(3) 0.077(2) Uani 1 1 d . U . . .
H3K H 0.8627 0.5061 0.2040 0.092 Uiso 1 1 calc R U . . .
C4K C 0.8094(5) 0.4549(3) 0.1939(3) 0.072(2) Uani 1 1 d . U . . .
H4K H 0.8335 0.4421 0.1768 0.086 Uiso 1 1 calc R U . . .
C5K C 0.7575(4) 0.4359(2) 0.2030(2) 0.0576(16) Uani 1 1 d . U . . .
H5K H 0.7460 0.4095 0.1930 0.069 Uiso 1 1 calc R U . . .
C6K C 0.7224(3) 0.4554(2) 0.22678(18) 0.0484(13) Uani 1 1 d . U . . .
C7K C 0.6651(4) 0.4381(2) 0.2378(2) 0.0537(15) Uani 1 1 d . U . . .
H7K H 0.6486 0.4126 0.2281 0.064 Uiso 1 1 calc R U . . .
C10K C 0.5697(4) 0.4755(2) 0.2980(2) 0.0509(13) Uani 1 1 d . U . . .
C12K C 0.5141(3) 0.4682(2) 0.3167(2) 0.0495(13) Uani 1 1 d . U . . .
C13K C 0.4816(4) 0.4301(2) 0.3148(2) 0.0576(16) Uani 1 1 d . U . . .
H13K H 0.4954 0.4074 0.3014 0.069 Uiso 1 1 calc R U . . .
C14K C 0.4301(4) 0.4267(2) 0.3327(2) 0.0633(18) Uani 1 1 d D U . . .
C15K C 0.4076(4) 0.4588(2) 0.3525(2) 0.0578(16) Uani 1 1 d . U . . .
H15K H 0.3722 0.4552 0.3649 0.069 Uiso 1 1 calc R U . . .
C16K C 0.4383(4) 0.4970(2) 0.3541(2) 0.0538(15) Uani 1 1 d . U . . .
C17K C 0.4908(4) 0.50030(19) 0.3358(2) 0.0513(14) Uani 1 1 d . U . . .
H17K H 0.5115 0.5259 0.3366 0.062 Uiso 1 1 calc R U . . .
C23K C 0.4172(3) 0.5338(2) 0.3721(2) 0.0544(15) Uani 1 1 d . U . . .
C26K C 0.3055(4) 0.5762(3) 0.4178(3) 0.0629(17) Uani 1 1 d . U . . .
H26K H 0.2739 0.5562 0.4176 0.075 Uiso 1 1 calc R U . . .
C27K C 0.2995(4) 0.6165(3) 0.4346(2) 0.0593(16) Uani 1 1 d . U . . .
C28K C 0.2490(4) 0.6279(3) 0.4507(3) 0.0683(19) Uani 1 1 d . U . . .
H28K H 0.2148 0.6099 0.4500 0.082 Uiso 1 1 calc R U . . .
C29K C 0.2481(5) 0.6664(3) 0.4684(3) 0.071(2) Uani 1 1 d . U . . .
H29K H 0.2138 0.6746 0.4804 0.086 Uiso 1 1 calc R U . . .
C30K C 0.2978(5) 0.6923(3) 0.4680(3) 0.075(2) Uani 1 1 d . U . . .
H30K H 0.2982 0.7187 0.4793 0.090 Uiso 1 1 calc R U . . .
C31K C 0.3468(5) 0.6787(3) 0.4508(3) 0.072(2) Uani 1 1 d . U . . .
H31K H 0.3815 0.6963 0.4513 0.086 Uiso 1 1 calc R U . . .
N1K N 0.7383(3) 0.49317(17) 0.24207(17) 0.0487(11) Uani 1 1 d . U . . .
N8K N 0.6388(3) 0.46011(17) 0.26187(16) 0.0486(11) Uani 1 1 d . U . . .
N9K N 0.5866(3) 0.44641(17) 0.27526(17) 0.0506(12) Uani 1 1 d . U . . .
N24K N 0.3653(3) 0.5312(2) 0.38853(19) 0.0585(14) Uani 1 1 d . U . . .
N25K N 0.3541(3) 0.56855(19) 0.40355(18) 0.0535(12) Uani 1 1 d . U . . .
N32K N 0.3482(3) 0.6421(2) 0.4334(2) 0.0620(14) Uani 1 1 d . U . . .
O11K O 0.5967(2) 0.51037(14) 0.30548(15) 0.0512(10) Uani 1 1 d . U . . .
O19K O 0.4072(7) 0.3614(3) 0.3683(2) 0.158(4) Uani 1 1 d D U . . .
O20K O 0.3251(3) 0.3905(3) 0.3258(4) 0.141(4) Uani 1 1 d D U . . .
O21K O 0.4057(3) 0.35589(17) 0.30028(18) 0.0731(15) Uani 1 1 d D U . . .
O22K O 0.4494(3) 0.56586(16) 0.37098(19) 0.0636(13) Uani 1 1 d . U . . .
S18K S 0.38870(17) 0.37940(8) 0.33145(9) 0.0973(10) Uani 1 1 d D U . . .
C2L C 0.5059(6) 0.5761(4) 0.4702(5) 0.112(5) Uani 1 1 d . U . . .
H2L H 0.4834 0.5514 0.4647 0.134 Uiso 1 1 calc R U . . .
C3L C 0.5539(7) 0.5770(5) 0.5014(5) 0.118(5) Uani 1 1 d . U . . .
H3L H 0.5588 0.5554 0.5197 0.141 Uiso 1 1 calc R U . . .
C4L C 0.5923(6) 0.6088(4) 0.5049(4) 0.106(4) Uani 1 1 d . U . . .
H4L H 0.6276 0.6090 0.5241 0.127 Uiso 1 1 calc R U . . .
C5L C 0.5797(5) 0.6422(4) 0.4796(4) 0.096(3) Uani 1 1 d . U . . .
H5L H 0.6057 0.6656 0.4817 0.115 Uiso 1 1 calc R U . . .
C6L C 0.5294(4) 0.6400(3) 0.4519(3) 0.079(2) Uani 1 1 d . U . . .
C7L C 0.5142(5) 0.6720(4) 0.4229(4) 0.094(3) Uani 1 1 d . U . . .
H7L H 0.5390 0.6958 0.4226 0.113 Uiso 1 1 calc R U . . .
C10L C 0.3993(4) 0.6800(2) 0.3470(2) 0.0599(16) Uani 1 1 d . U . . .
C12L C 0.3748(4) 0.7061(2) 0.3129(3) 0.0581(15) Uani 1 1 d . U . . .
C13L C 0.3975(5) 0.7446(3) 0.3052(3) 0.079(2) Uani 1 1 d . U . . .
H13L H 0.4281 0.7573 0.3234 0.095 Uiso 1 1 calc R U . . .
C14L C 0.3761(5) 0.7637(3) 0.2719(3) 0.088(3) Uani 1 1 d D U . . .
C15L C 0.3306(5) 0.7468(3) 0.2437(4) 0.084(3) Uani 1 1 d . U . . .
H15L H 0.3165 0.7611 0.2205 0.101 Uiso 1 1 calc R U . . .
C16L C 0.3075(4) 0.7086(2) 0.2511(2) 0.0622(16) Uani 1 1 d . U . . .
C17L C 0.3301(4) 0.6891(2) 0.2858(2) 0.0571(15) Uani 1 1 d . U . . .
H17L H 0.3139 0.6630 0.2909 0.069 Uiso 1 1 calc R U . . .
C23L C 0.2633(4) 0.6865(3) 0.2232(2) 0.0639(17) Uani 1 1 d . U . . .
C26L C 0.1705(5) 0.6902(3) 0.1365(3) 0.0710(19) Uani 1 1 d . U . . .
H26L H 0.1722 0.7173 0.1268 0.085 Uiso 1 1 calc R U . . .
C27L C 0.1329(5) 0.6570(3) 0.1150(3) 0.0713(19) Uani 1 1 d . U . . .
C28L C 0.1017(5) 0.6631(4) 0.0775(3) 0.085(2) Uani 1 1 d . U . . .
H28L H 0.1015 0.6892 0.0655 0.103 Uiso 1 1 calc R U . . .
C29L C 0.0716(5) 0.6304(4) 0.0587(4) 0.090(3) Uani 1 1 d . U . . .
H29L H 0.0519 0.6327 0.0328 0.108 Uiso 1 1 calc R U . . .
C30L C 0.0708(5) 0.5939(4) 0.0786(3) 0.083(2) Uani 1 1 d . U . . .
H30L H 0.0485 0.5711 0.0669 0.100 Uiso 1 1 calc R U . . .
C31L C 0.1023(5) 0.5905(3) 0.1155(3) 0.083(2) Uani 1 1 d . U . . .
H31L H 0.1023 0.5649 0.1283 0.100 Uiso 1 1 calc R U . . .
N1L N 0.4915(4) 0.6078(3) 0.4489(3) 0.0744(18) Uani 1 1 d . U . . .
N8L N 0.4663(3) 0.6667(2) 0.3977(2) 0.0672(15) Uani 1 1 d . U . . .
N9L N 0.4471(3) 0.6954(2) 0.3702(2) 0.0698(16) Uani 1 1 d . U . . .
N24L N 0.2392(4) 0.7066(2) 0.1918(2) 0.0711(17) Uani 1 1 d . U . . .
N25L N 0.2001(4) 0.6792(2) 0.1687(2) 0.0692(16) Uani 1 1 d . U . . .
N32L N 0.1323(4) 0.6212(2) 0.1337(2) 0.0725(17) Uani 1 1 d . U . . .
O11L O 0.3736(3) 0.64673(18) 0.35008(18) 0.0716(15) Uani 1 1 d . U . . .
O19L O 0.4615(6) 0.7993(4) 0.2405(5) 0.194(5) Uani 1 1 d D U . . .
O20L O 0.3678(6) 0.8310(4) 0.2322(5) 0.202(7) Uani 1 1 d D U . . .
O21L O 0.4319(8) 0.8304(3) 0.2964(3) 0.183(5) Uani 1 1 d D U . . .
O22L O 0.2522(3) 0.64874(17) 0.23158(17) 0.0698(14) Uani 1 1 d . U . . .
S18L S 0.4087(2) 0.81091(15) 0.26051(17) 0.160(2) Uani 1 1 d D U . . .
C2M C 0.1479(4) 0.4962(2) 0.0668(3) 0.0590(16) Uani 1 1 d . U . . .
H2M H 0.1346 0.5214 0.0548 0.071 Uiso 1 1 calc R U . . .
C3M C 0.1145(4) 0.4801(3) 0.0931(3) 0.0662(18) Uani 1 1 d . U . . .
H3M H 0.0792 0.4939 0.0995 0.079 Uiso 1 1 calc R U . . .
C4M C 0.1335(4) 0.4433(3) 0.1100(3) 0.0660(18) Uani 1 1 d . U . . .
H4M H 0.1105 0.4308 0.1279 0.079 Uiso 1 1 calc R U . . .
C5M C 0.1867(4) 0.4245(2) 0.1008(2) 0.0583(16) Uani 1 1 d . U . . .
H5M H 0.2015 0.3997 0.1130 0.070 Uiso 1 1 calc R U . . .
C6M C 0.2172(3) 0.4425(2) 0.0736(2) 0.0484(13) Uani 1 1 d . U . . .
C7M C 0.2736(3) 0.4257(2) 0.0624(2) 0.0502(14) Uani 1 1 d . U . . .
H7M H 0.2911 0.4008 0.0729 0.060 Uiso 1 1 calc R U . . .
C10M C 0.3687(3) 0.46269(19) 0.00108(19) 0.0445(12) Uani 1 1 d . U . . .
C12M C 0.4271(3) 0.4563(2) -0.01417(19) 0.0454(12) Uani 1 1 d . U . . .
C13M C 0.4591(3) 0.4194(2) -0.0116(2) 0.0493(13) Uani 1 1 d . U . . .
H13M H 0.4423 0.3962 -0.0005 0.059 Uiso 1 1 calc R U . . .
C14M C 0.5153(3) 0.41599(17) -0.0252(2) 0.0489(13) Uani 1 1 d D U . . .
C15M C 0.5408(3) 0.4495(2) -0.0421(2) 0.0480(13) Uani 1 1 d . U . . .
H15M H 0.5792 0.4469 -0.0514 0.058 Uiso 1 1 calc R U . . .
C16M C 0.5098(3) 0.4864(2) -0.0453(2) 0.0474(13) Uani 1 1 d . U . . .
C17M C 0.4531(3) 0.4895(2) -0.03178(19) 0.0469(13) Uani 1 1 d . U . . .
H17M H 0.4314 0.5147 -0.0346 0.056 Uiso 1 1 calc R U . . .
C23M C 0.5328(3) 0.5241(2) -0.0619(2) 0.0485(13) Uani 1 1 d . U . . .
C26M C 0.6446(4) 0.5632(3) -0.1105(3) 0.0610(17) Uani 1 1 d . U . . .
H26M H 0.6733 0.5421 -0.1136 0.073 Uiso 1 1 calc R U . . .
C27M C 0.6499(4) 0.6043(3) -0.1257(3) 0.0661(19) Uani 1 1 d . U . . .
C28M C 0.6987(6) 0.6154(3) -0.1453(4) 0.087(3) Uani 1 1 d . U . . .
H28M H 0.7290 0.5959 -0.1500 0.104 Uiso 1 1 calc R U . . .
C29M C 0.7015(7) 0.6551(4) -0.1576(5) 0.107(5) Uani 1 1 d . U . . .
H29M H 0.7353 0.6633 -0.1701 0.128 Uiso 1 1 calc R U . . .
C30M C 0.6581(6) 0.6829(3) -0.1527(4) 0.095(4) Uani 1 1 d . U . . .
H30M H 0.6606 0.7102 -0.1618 0.114 Uiso 1 1 calc R U . . .
C31M C 0.6083(5) 0.6701(3) -0.1336(3) 0.079(3) Uani 1 1 d . U . . .
H31M H 0.5769 0.6890 -0.1295 0.095 Uiso 1 1 calc R U . . .
N1M N 0.1980(3) 0.47866(17) 0.05679(18) 0.0496(12) Uani 1 1 d . U . . .
N8M N 0.2985(2) 0.44672(16) 0.03726(16) 0.0455(11) Uani 1 1 d . U . . .
N9M N 0.3521(3) 0.43421(16) 0.02467(16) 0.0459(11) Uani 1 1 d . U . . .
N24M N 0.5843(3) 0.51976(19) -0.07790(19) 0.0544(13) Uani 1 1 d . U . . .
N25M N 0.5981(3) 0.55779(18) -0.09270(18) 0.0522(12) Uani 1 1 d . U . . .
N32M N 0.6060(3) 0.6309(2) -0.1212(2) 0.0613(15) Uani 1 1 d . U . . .
O11M O 0.3390(2) 0.49591(14) -0.00858(14) 0.0485(10) Uani 1 1 d . U . . .
O19M O 0.5302(4) 0.34581(19) -0.05801(17) 0.0841(19) Uani 1 1 d D U . . .
O20M O 0.6175(3) 0.37549(18) -0.0188(2) 0.0757(15) Uani 1 1 d D U . . .
O21M O 0.5354(3) 0.34717(13) 0.01048(15) 0.0568(11) Uani 1 1 d D U . . .
O22M O 0.5041(2) 0.55648(14) -0.05895(16) 0.0547(11) Uani 1 1 d . U . . .
S18M S 0.55279(9) 0.36711(5) -0.02249(6) 0.0558(4) Uani 1 1 d D U . . .
C2N C 0.4625(6) 0.5585(3) -0.1635(3) 0.088(3) Uani 1 1 d . U . . .
H2N H 0.4932 0.5378 -0.1601 0.105 Uiso 1 1 calc R U . . .
C3N C 0.4127(6) 0.5548(4) -0.1930(4) 0.098(4) Uani 1 1 d . U . . .
H3N H 0.4110 0.5321 -0.2101 0.117 Uiso 1 1 calc R U . . .
C4N C 0.3690(6) 0.5816(4) -0.1976(3) 0.094(3) Uani 1 1 d . U . . .
H4N H 0.3351 0.5786 -0.2176 0.113 Uiso 1 1 calc R U . . .
C5N C 0.3725(5) 0.6162(3) -0.1719(3) 0.079(2) Uani 1 1 d . U . . .
H5N H 0.3410 0.6364 -0.1745 0.094 Uiso 1 1 calc R U . . .
C6N C 0.4227(4) 0.6194(3) -0.1432(3) 0.0638(18) Uani 1 1 d . U . . .
C7N C 0.4303(4) 0.6527(3) -0.1161(3) 0.071(2) Uani 1 1 d . U . . .
H7N H 0.4015 0.6746 -0.1178 0.085 Uiso 1 1 calc R U . . .
C10N C 0.5372(3) 0.6731(2) -0.0379(2) 0.0515(14) Uani 1 1 d . U . . .
C12N C 0.5529(4) 0.7006(2) -0.0035(2) 0.0512(14) Uani 1 1 d . U . . .
C13N C 0.5149(4) 0.7321(2) 0.0048(2) 0.0545(15) Uani 1 1 d . U . . .
H13N H 0.4791 0.7390 -0.0127 0.065 Uiso 1 1 calc R U . . .
C14N C 0.5293(3) 0.75338(18) 0.0386(2) 0.0536(14) Uani 1 1 d D U . . .
C15N C 0.5801(4) 0.7444(2) 0.0649(2) 0.0521(14) Uani 1 1 d . U . . .
H15N H 0.5883 0.7596 0.0882 0.062 Uiso 1 1 calc R U . . .
C16N C 0.6203(3) 0.71239(18) 0.0572(2) 0.0496(13) Uani 1 1 d . U . . .
C17N C 0.6054(4) 0.6919(2) 0.0219(2) 0.0512(14) Uani 1 1 d . U . . .
H17N H 0.6326 0.6713 0.0152 0.061 Uiso 1 1 calc R U . . .
C23N C 0.6718(4) 0.6970(2) 0.0844(2) 0.0551(15) Uani 1 1 d . U . . .
C26N C 0.7519(4) 0.7062(3) 0.1754(3) 0.070(2) Uani 1 1 d . U . . .
H26N H 0.7400 0.7315 0.1855 0.084 Uiso 1 1 calc R U . . .
C27N C 0.7948(5) 0.6793(3) 0.1983(3) 0.078(2) Uani 1 1 d . U . . .
C28N C 0.8186(5) 0.6853(4) 0.2349(4) 0.092(3) Uani 1 1 d . U . . .
H28N H 0.8065 0.7091 0.2475 0.110 Uiso 1 1 calc R U . . .
C29N C 0.8587(8) 0.6596(5) 0.2550(5) 0.130(6) Uani 1 1 d . U . . .
H29N H 0.8782 0.6660 0.2803 0.156 Uiso 1 1 calc R U . . .
C30N C 0.8709(8) 0.6209(5) 0.2360(5) 0.117(4) Uani 1 1 d . U . . .
H30N H 0.8963 0.6000 0.2488 0.140 Uiso 1 1 calc R U . . .
C31N C 0.8439(6) 0.6170(4) 0.1993(5) 0.100(3) Uani 1 1 d . U . . .
H31N H 0.8511 0.5921 0.1866 0.120 Uiso 1 1 calc R U . . .
N1N N 0.4675(4) 0.5913(2) -0.1398(2) 0.0651(15) Uani 1 1 d . U . . .
N8N N 0.4765(3) 0.65210(19) -0.08995(18) 0.0537(12) Uani 1 1 d . U . . .
N9N N 0.4865(4) 0.6823(2) -0.0620(2) 0.0621(15) Uani 1 1 d . U . . .
N24N N 0.6858(3) 0.71688(19) 0.1187(2) 0.0592(14) Uani 1 1 d . U . . .
N25N N 0.7304(3) 0.69497(18) 0.1415(2) 0.0597(14) Uani 1 1 d . U . . .
N32N N 0.8083(4) 0.6444(2) 0.1791(3) 0.081(2) Uani 1 1 d . U . . .
O11N O 0.5714(3) 0.64249(16) -0.04025(16) 0.0596(12) Uani 1 1 d . U . . .
O19N O 0.4231(3) 0.76832(18) 0.0597(2) 0.0763(16) Uani 1 1 d D U . . .
O20N O 0.5085(3) 0.81427(15) 0.08149(17) 0.0641(13) Uani 1 1 d D U . . .
O21N O 0.4591(3) 0.81557(17) 0.01639(17) 0.0711(14) Uani 1 1 d D U . . .
O22N O 0.6974(3) 0.66435(16) 0.07602(17) 0.0613(12) Uani 1 1 d . U . . .
S18N S 0.47593(9) 0.79087(5) 0.05029(6) 0.0582(4) Uani 1 1 d D U . . .
C2O C 0.8557(6) 0.6929(4) 0.0784(6) 0.112(4) Uani 1 1 d . U . . .
H2O H 0.8409 0.7169 0.0895 0.135 Uiso 1 1 calc R U . . .
C3O C 0.8990(7) 0.6973(5) 0.0517(6) 0.129(5) Uani 1 1 d . U . . .
H3O H 0.9122 0.7236 0.0447 0.155 Uiso 1 1 calc R U . . .
C4O C 0.9194(8) 0.6644(5) 0.0375(7) 0.137(5) Uani 1 1 d . U . . .
H4O H 0.9489 0.6663 0.0202 0.165 Uiso 1 1 calc R U . . .
C5O C 0.8991(6) 0.6273(5) 0.0472(5) 0.105(4) Uani 1 1 d . U . . .
H5O H 0.9140 0.6031 0.0365 0.126 Uiso 1 1 calc R U . . .
C6O C 0.8572(5) 0.6244(3) 0.0724(4) 0.087(3) Uani 1 1 d . U . . .
C7O C 0.8308(5) 0.5845(3) 0.0821(3) 0.082(2) Uani 1 1 d . U . . .
H7O H 0.8465 0.5592 0.0744 0.098 Uiso 1 1 calc R U . . .
C10O C 0.7083(4) 0.5612(2) 0.1288(2) 0.0613(16) Uani 1 1 d . U . . .
C12O C 0.6652(4) 0.52787(19) 0.1369(2) 0.0530(14) Uani 1 1 d . U . . .
C13O C 0.6726(4) 0.4870(2) 0.1252(2) 0.0561(16) Uani 1 1 d . U . . .
H13O H 0.7058 0.4791 0.1121 0.067 Uiso 1 1 calc R U . . .
C14O C 0.6292(4) 0.45917(18) 0.1338(2) 0.0575(16) Uani 1 1 d D U . . .
C15O C 0.5810(4) 0.4691(2) 0.1537(2) 0.0584(16) Uani 1 1 d . U . . .
H15O H 0.5533 0.4486 0.1600 0.070 Uiso 1 1 calc R U . . .
C16O C 0.5740(4) 0.5102(2) 0.1643(2) 0.0545(15) Uani 1 1 d . U . . .
C17O C 0.6170(4) 0.53807(19) 0.1564(2) 0.0539(14) Uani 1 1 d . U . . .
H17O H 0.6136 0.5656 0.1647 0.065 Uiso 1 1 calc R U . . .
C23O C 0.5237(4) 0.5224(2) 0.1857(2) 0.0540(14) Uani 1 1 d . U . . .
C26O C 0.4107(4) 0.4885(2) 0.2348(2) 0.0578(16) Uani 1 1 d . U . . .
H26O H 0.4099 0.4595 0.2335 0.069 Uiso 1 1 calc R U . . .
C27O C 0.3680(4) 0.5128(2) 0.2560(2) 0.0566(15) Uani 1 1 d . U . . .
C28O C 0.3229(5) 0.4966(3) 0.2739(3) 0.076(2) Uani 1 1 d . U . . .
H28O H 0.3148 0.4680 0.2731 0.091 Uiso 1 1 calc R U . . .
C29O C 0.2880(5) 0.5239(4) 0.2941(3) 0.083(2) Uani 1 1 d . U . . .
H29O H 0.2545 0.5140 0.3058 0.100 Uiso 1 1 calc R U . . .
C30O C 0.3037(7) 0.5651(4) 0.2963(4) 0.096(3) Uani 1 1 d . U . . .
H30O H 0.2818 0.5839 0.3100 0.115 Uiso 1 1 calc R U . . .
C31O C 0.3510(7) 0.5777(3) 0.2784(5) 0.101(4) Uani 1 1 d . U . . .
H31O H 0.3633 0.6055 0.2812 0.121 Uiso 1 1 calc R U . . .
N1O N 0.8354(4) 0.6563(3) 0.0883(3) 0.084(2) Uani 1 1 d . U . . .
N8O N 0.7860(4) 0.5863(2) 0.1012(2) 0.0702(16) Uani 1 1 d . U . . .
N9O N 0.7554(4) 0.5510(2) 0.1114(2) 0.0687(16) Uani 1 1 d . U . . .
N24O N 0.4892(3) 0.49261(18) 0.19832(19) 0.0586(14) Uani 1 1 d . U . . .
N25O N 0.4476(3) 0.50998(18) 0.21890(19) 0.0561(13) Uani 1 1 d . U . . .
N32O N 0.3811(4) 0.5537(2) 0.2574(3) 0.0718(18) Uani 1 1 d . U . . .
O11O O 0.6932(3) 0.59719(15) 0.1376(2) 0.0705(15) Uani 1 1 d . U . . .
O19O O 0.5883(3) 0.40262(17) 0.08560(18) 0.0762(15) Uani 1 1 d D U . . .
O20O O 0.6961(3) 0.40093(18) 0.1085(2) 0.0766(15) Uani 1 1 d D U . . .
O21O O 0.6251(3) 0.38337(17) 0.15159(18) 0.0765(16) Uani 1 1 d D U . . .
O22O O 0.5147(3) 0.56063(15) 0.1918(2) 0.0730(16) Uani 1 1 d . U . . .
S18O S 0.63371(11) 0.40738(5) 0.11811(6) 0.0626(5) Uani 1 1 d D U . . .
C2P C 0.5353(4) 0.6036(2) 0.2948(2) 0.0590(16) Uani 1 1 d . U . . .
H2P H 0.5465 0.5761 0.3012 0.071 Uiso 1 1 calc R U . . .
C3P C 0.5618(4) 0.6358(2) 0.3188(2) 0.0615(17) Uani 1 1 d . U . . .
H3P H 0.5882 0.6294 0.3420 0.074 Uiso 1 1 calc R U . . .
C4P C 0.5501(4) 0.6753(3) 0.3094(2) 0.0634(18) Uani 1 1 d . U . . .
H4P H 0.5695 0.6967 0.3250 0.076 Uiso 1 1 calc R U . . .
C5P C 0.5082(4) 0.6841(2) 0.2757(2) 0.0589(16) Uani 1 1 d . U . . .
H5P H 0.4990 0.7116 0.2680 0.071 Uiso 1 1 calc R U . . .
C6P C 0.4808(4) 0.65099(19) 0.2542(2) 0.0499(14) Uani 1 1 d . U . . .
C7P C 0.4366(4) 0.6579(2) 0.2196(2) 0.0576(16) Uani 1 1 d . U . . .
H7P H 0.4284 0.6849 0.2102 0.069 Uiso 1 1 calc R U . . .
C10P C 0.3616(3) 0.66629(19) 0.1461(2) 0.0473(13) Uani 1 1 d . U . . .
C12P C 0.3185(3) 0.6619(2) 0.1098(2) 0.0515(14) Uani 1 1 d . U . . .
C13P C 0.2919(5) 0.6987(2) 0.0939(3) 0.0646(19) Uani 1 1 d . U . . .
H13P H 0.3014 0.7241 0.1065 0.077 Uiso 1 1 calc R U . . .
C14P C 0.2515(4) 0.6969(2) 0.0592(3) 0.0686(19) Uani 1 1 d D U . . .
C15P C 0.2380(4) 0.6602(2) 0.0390(3) 0.0656(19) Uani 1 1 d . U . . .
H15P H 0.2110 0.6599 0.0152 0.079 Uiso 1 1 calc R U . . .
C16P C 0.2652(4) 0.6237(2) 0.0548(2) 0.0534(15) Uani 1 1 d . U . . .
C17P C 0.3054(3) 0.62580(19) 0.0899(2) 0.0466(13) Uani 1 1 d . U . . .
H17P H 0.3243 0.6013 0.1003 0.056 Uiso 1 1 calc R U . . .
C23P C 0.2543(3) 0.5839(2) 0.0350(2) 0.0512(14) Uani 1 1 d . U . . .
C26P C 0.1734(5) 0.5388(3) -0.0450(3) 0.072(2) Uani 1 1 d . U . . .
H26P H 0.1503 0.5605 -0.0582 0.087 Uiso 1 1 calc R U . . .
C27P C 0.1693(5) 0.4988(3) -0.0603(2) 0.069(2) Uani 1 1 d . U . . .
C28P C 0.1330(5) 0.4882(4) -0.0935(3) 0.083(3) Uani 1 1 d . U . . .
H28P H 0.1087 0.5084 -0.1082 0.100 Uiso 1 1 calc R U . . .
C29P C 0.1314(6) 0.4478(4) -0.1059(4) 0.099(4) Uani 1 1 d . U . . .
H29P H 0.1092 0.4404 -0.1302 0.119 Uiso 1 1 calc R U . . .
C30P C 0.1624(6) 0.4190(4) -0.0826(4) 0.097(4) Uani 1 1 d . U . . .
H30P H 0.1595 0.3910 -0.0900 0.116 Uiso 1 1 calc R U . . .
C31P C 0.1981(5) 0.4300(3) -0.0480(3) 0.074(2) Uani 1 1 d . U . . .
H31P H 0.2207 0.4096 -0.0325 0.089 Uiso 1 1 calc R U . . .
N1P N 0.4949(3) 0.61120(17) 0.26346(18) 0.0521(12) Uani 1 1 d . U . . .
N8P N 0.4091(3) 0.62778(17) 0.20205(19) 0.0560(14) Uani 1 1 d . U . . .
N9P N 0.3680(4) 0.63341(19) 0.1701(2) 0.0640(16) Uani 1 1 d . U . . .
H9P H 0.3419 0.6132 0.1639 0.077 Uiso 1 1 calc R U . . .
N24P N 0.2153(3) 0.5846(2) 0.00167(18) 0.0584(14) Uani 1 1 d . U . . .
N25P N 0.2085(3) 0.5460(2) -0.01303(17) 0.0549(13) Uani 1 1 d . U . . .
N32P N 0.2008(3) 0.4695(2) -0.0364(2) 0.0604(14) Uani 1 1 d . U . . .
O11P O 0.3915(4) 0.69768(19) 0.15362(19) 0.0772(17) Uani 1 1 d . U . . .
O19P O 0.2630(5) 0.7729(2) 0.0452(4) 0.151(4) Uani 1 1 d D U . . .
O20P O 0.1878(8) 0.7346(3) 0.0014(3) 0.185(6) Uani 1 1 d D U . . .
O21P O 0.1685(5) 0.7535(3) 0.0633(4) 0.146(4) Uani 1 1 d D U . . .
O22P O 0.2822(2) 0.55284(15) 0.05049(15) 0.0540(11) Uani 1 1 d . U . . .
S18P S 0.2163(2) 0.74337(8) 0.03954(10) 0.1068(10) Uani 1 1 d D U . . .
Na1 Na 0.39982(12) 0.32961(8) 0.11405(8) 0.0513(6) Uani 1 1 d . U . . .
Na2 Na 0.52564(13) 0.34163(8) 0.07523(9) 0.0564(6) Uani 1 1 d . U . . .
Na3 Na 0.43801(15) 0.35424(8) 0.23776(10) 0.0615(7) Uani 1 1 d . U . . .
Na4 Na 0.50766(16) 0.88018(9) 0.03952(10) 0.0620(7) Uani 1 1 d . U . . .
Na5 Na 0.47253(19) 0.84910(10) 0.13161(10) 0.0697(8) Uani 1 1 d . U . . .
Na6 Na 0.6638(2) 0.31980(9) 0.16199(12) 0.0791(10) Uani 1 1 d . U . . .
Na7 Na 0.6751(3) 0.37793(10) 0.04178(12) 0.0874(11) Uani 1 1 d . U . . .
Na8 Na 0.2372(3) 0.30213(12) 0.16625(17) 0.1088(16) Uani 1 1 d . U . . .
Na9A Na 0.7398(4) 0.82080(18) 0.21113(18) 0.0716(15) Uani 0.55 1 d . U P A 1
O99A O 0.8353(13) 0.7934(8) 0.2011(8) 0.145(7) Uiso 0.55 1 d . . P A 1
Na9B Na 0.6986(5) 0.8396(2) 0.2191(3) 0.085(2) Uani 0.45 1 d . U P A 2
Na10 Na 0.5431(3) 0.8362(2) 0.2316(2) 0.1238(18) Uiso 1 1 d . . . . .
Na11 Na 0.3924(4) 0.8580(2) -0.0252(2) 0.134(2) Uiso 1 1 d . . . . .
Na12 Na 0.3327(6) 0.7997(4) 0.0695(4) 0.114(3) Uiso 0.5 1 d . . P . .
O1 O 0.4362(2) 0.38827(15) 0.07852(15) 0.0515(10) Uani 1 1 d . U . . .
O2 O 0.4544(2) 0.28485(15) 0.06911(15) 0.0530(10) Uani 1 1 d . U . . .
O3 O 0.5024(3) 0.40449(17) 0.21689(19) 0.0682(14) Uani 1 1 d . U . . .
O4 O 0.5249(3) 0.90445(18) 0.10439(19) 0.0729(15) Uani 1 1 d . U . . .
O5 O 0.5064(3) 0.33289(19) 0.14550(19) 0.0690(14) Uani 1 1 d . U . . .
O6 O 0.6999(3) 0.48037(19) -0.0477(2) 0.0736(16) Uani 1 1 d . U . . .
O7 O 0.6668(4) 0.79427(18) 0.1507(2) 0.0820(19) Uani 1 1 d . U . . .
O8 O 0.5946(4) 0.2705(2) 0.1818(2) 0.0826(17) Uani 1 1 d . U . . .
O9 O 0.4357(4) 0.8824(2) 0.1846(2) 0.0797(17) Uani 1 1 d . U . . .
O10 O 0.6104(3) 0.8754(3) 0.0399(2) 0.089(2) Uani 1 1 d . U . . .
O11 O 0.7247(4) 0.4351(2) 0.0226(2) 0.0859(19) Uani 1 1 d . U . . .
O12 O 0.9443(5) -0.0422(3) 0.3507(3) 0.113(3) Uani 1 1 d . U . . .
O13 O 0.5721(5) 0.8412(3) 0.1729(3) 0.108(2) Uani 1 1 d . U . . .
O14 O 0.8015(4) 0.4833(3) 0.0733(4) 0.127(4) Uani 1 1 d . U . . .
O15 O 0.7556(6) 0.8725(3) 0.2632(3) 0.109(3) Uani 1 1 d . U . . .
O16 O 0.1026(6) 0.2025(3) 0.1154(3) 0.119(3) Uani 1 1 d . U . . .
O17 O 0.8412(5) 0.2209(3) 0.0176(4) 0.119(3) Uani 1 1 d . U . . .
O18 O 0.3096(6) 0.2937(4) 0.2833(3) 0.129(4) Uani 1 1 d . U . . .
O19 O 0.7318(5) 0.3572(4) 0.2841(4) 0.124(3) Uani 1 1 d . U . . .
O20 O 0.2297(6) -0.0508(4) -0.0557(4) 0.149(5) Uani 1 1 d . U . . .
O21 O 0.6299(6) 0.3350(3) 0.2306(3) 0.120(3) Uani 1 1 d . U . . .
O22 O 0.1938(6) 0.2397(4) 0.1653(4) 0.134(3) Uani 1 1 d . U . . .
O23 O 0.7880(6) 0.5250(3) -0.0812(5) 0.157(6) Uani 1 1 d . U . . .
O24 O 0.2120(7) 0.1809(4) 0.2270(4) 0.142(4) Uani 1 1 d . U . . .
O25 O 0.8302(7) -0.0242(5) 0.3333(5) 0.087(4) Uani 0.5 1 d . U P . .
O26 O 0.7391(11) 0.6603(4) 0.3546(5) 0.118(8) Uani 0.5 1 d . U P . .
O27 O 0.1648(10) 0.4631(4) 0.2469(7) 0.117(8) Uani 0.5 1 d . U P . .
O28 O 0.4332(12) 0.7855(3) 0.1504(6) 0.130(7) Uani 0.5 1 d . U P . .
O29 O 0.3399(6) 0.9104(6) -0.0621(5) 0.093(5) Uani 0.5 1 d . U P . .
O30 O 0.6748(8) -0.0880(5) -0.0125(4) 0.085(4) Uani 0.5 1 d . U P . .
O31 O 0.2366(12) 0.3947(4) 0.2593(6) 0.116(8) Uani 0.5 1 d . U P . .
O32 O 0.3766(9) 0.7357(6) -0.0732(6) 0.055(4) Uiso 0.25 1 d . . P . .
O33 O 0.5553(9) 0.7912(6) 0.3291(6) 0.053(4) Uiso 0.25 1 d . . P . .
O34 O 0.8731(11) 0.5001(7) 0.0017(7) 0.061(5) Uiso 0.25 1 d . . P . .
O35 O 0.5034(12) 0.0818(8) -0.2142(7) 0.070(6) Uiso 0.25 1 d . . P . .
O36 O 0.1867(13) 0.3208(8) 0.2235(8) 0.072(6) Uiso 0.25 1 d . . P . .
O37 O 0.8534(15) -0.0709(9) 0.2551(9) 0.083(7) Uiso 0.25 1 d . . P . .
O38 O 0.3421(9) -0.1962(6) 0.0067(6) 0.052(4) Uiso 0.25 1 d . . P . .
O39 O 0.5435(12) 0.0407(8) 0.4376(7) 0.069(6) Uiso 0.25 1 d . . P . .
O40 O 0.1566(13) 0.3108(9) -0.0998(8) 0.075(6) Uiso 0.25 1 d . . P . .
O41 O -0.0009(10) 0.2345(7) -0.1110(6) 0.061(5) Uiso 0.25 1 d . . P . .
O42 O 0.1939(13) 0.6465(9) -0.0592(8) 0.076(6) Uiso 0.25 1 d . . P . .
O43 O 0.005(3) 0.5489(17) -0.0444(16) 0.137(15) Uiso 0.25 1 d . . P . .
O44 O 0.6853(10) 0.0106(7) 0.3717(6) 0.060(5) Uiso 0.25 1 d . . P . .
O45 O 0.8650(13) 0.1250(8) 0.3255(8) 0.073(6) Uiso 0.25 1 d . . P . .
O46 O 0.8183(12) 0.0703(8) -0.1501(8) 0.071(6) Uiso 0.25 1 d . . P . .
O47 O 0.8298(15) 0.0143(10) 0.3507(9) 0.087(7) Uiso 0.25 1 d . U P . .
O48 O 0.922(2) 0.5601(14) 0.3344(13) 0.112(11) Uiso 0.25 1 d . . P . .
O49 O 0.456(2) 0.4430(13) -0.1474(13) 0.109(10) Uiso 0.25 1 d . . P . .
O50 O 0.8715(19) 0.2594(12) 0.0866(11) 0.105(10) Uiso 0.25 1 d . . P . .
O51 O 0.9517(13) 0.2028(9) -0.0153(8) 0.078(6) Uiso 0.25 1 d . . P . .
O52 O 0.2687(12) 0.6888(8) -0.1489(7) 0.071(6) Uiso 0.25 1 d . U P . .
O53 O 0.2786(12) 0.6719(8) -0.0979(7) 0.068(5) Uiso 0.25 1 d . U P . .
C1S C 0.7493(8) 0.8983(5) 0.3645(4) 0.122(5) Uani 1 1 d D U . . .
H1S H 0.7438 0.9016 0.3373 0.146 Uiso 1 1 calc R U . . .
C2S C 0.7436(9) 0.8529(5) 0.4185(3) 0.122(5) Uani 1 1 d D U . . .
H2S1 H 0.7880 0.8477 0.4245 0.183 Uiso 1 1 calc R U . . .
H2S2 H 0.7209 0.8280 0.4232 0.183 Uiso 1 1 calc R U . . .
H2S3 H 0.7320 0.8751 0.4348 0.183 Uiso 1 1 calc R U . . .
C3S C 0.6998(7) 0.8333(3) 0.3547(3) 0.096(3) Uani 1 1 d D U . . .
H3S1 H 0.6919 0.8438 0.3282 0.144 Uiso 1 1 calc R U . . .
H3S2 H 0.6607 0.8256 0.3632 0.144 Uiso 1 1 calc R U . . .
H3S3 H 0.7268 0.8092 0.3555 0.144 Uiso 1 1 calc R U . . .
N1S N 0.7290(5) 0.8642(3) 0.3795(2) 0.093(2) Uani 1 1 d D U . . .
O1S O 0.7750(11) 0.9255(5) 0.3852(4) 0.229(9) Uani 1 1 d D U . . .
C1T C 0.5266(7) 0.3232(4) 0.3087(4) 0.077(3) Uani 0.65 1 d D U P B 1
H1T H 0.4922 0.3062 0.3112 0.093 Uiso 0.65 1 calc R U P B 1
C2T C 0.6124(9) 0.3616(6) 0.3419(6) 0.107(6) Uani 0.65 1 d D U P B 1
H2T1 H 0.6155 0.3710 0.3156 0.161 Uiso 0.65 1 calc R U P B 1
H2T2 H 0.6515 0.3491 0.3531 0.161 Uiso 0.65 1 calc R U P B 1
H2T3 H 0.6033 0.3850 0.3577 0.161 Uiso 0.65 1 calc R U P B 1
C3T C 0.5548(12) 0.3172(6) 0.3771(4) 0.109(6) Uani 0.65 1 d D U P B 1
H3T1 H 0.5135 0.3051 0.3751 0.164 Uiso 0.65 1 calc R U P B 1
H3T2 H 0.5584 0.3397 0.3959 0.164 Uiso 0.65 1 calc R U P B 1
H3T3 H 0.5858 0.2962 0.3857 0.164 Uiso 0.65 1 calc R U P B 1
N1T N 0.5647(6) 0.3324(4) 0.3406(3) 0.087(3) Uani 0.65 1 d D U P B 1
O1T O 0.5325(4) 0.3351(2) 0.2761(3) 0.0628(18) Uani 0.65 1 d D U P B 1
O11T O 0.5699(18) 0.3412(10) 0.2890(10) 0.119(6) Uani 0.35 1 d . U P C 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 N25D 2.022(7) . ?
Zn1 N8A 2.035(7) . ?
Zn1 O11A 2.062(5) . ?
Zn1 N1A 2.143(6) . ?
Zn1 O22D 2.160(5) . ?
Zn1 N32D 2.244(8) . ?
Cu2 N25A 1.947(5) . ?
Cu2 O22A 2.033(5) . ?
Cu2 N32A 2.036(6) . ?
Cu2 N8B 2.072(5) . ?
Cu2 N1B 2.154(6) . ?
Zn3 N8C 2.020(7) . ?
Zn3 N25B 2.058(8) . ?
Zn3 O11C 2.096(7) . ?
Zn3 O22B 2.118(5) . ?
Zn3 N1C 2.173(10) . ?
Zn3 N32B 2.293(8) . ?
Zn4 N25C 2.029(7) . ?
Zn4 N8D 2.039(6) . ?
Zn4 O11D 2.075(6) . ?
Zn4 O22C 2.133(6) . ?
Zn4 N1D 2.195(6) . ?
Zn4 N32C 2.238(7) . ?
Zn5 N8E 2.043(5) . ?
Zn5 N25H 2.060(6) . ?
Zn5 O11E 2.100(5) . ?
Zn5 O22H 2.109(4) . ?
Zn5 N1E 2.194(6) . ?
Zn5 N32H 2.243(6) . ?
Zn6 N8F 2.060(7) . ?
Zn6 N25E 2.063(6) . ?
Zn6 O22E 2.076(5) . ?
Zn6 O11F 2.124(6) . ?
Zn6 N32E 2.161(6) . ?
Zn6 N1F 2.252(9) . ?
Zn7 N25F 2.033(7) . ?
Zn7 N8G 2.042(7) . ?
Zn7 O22F 2.073(7) . ?
Zn7 O11G 2.112(6) . ?
Zn7 N32F 2.183(8) . ?
Zn7 N1G 2.225(7) . ?
Cu8 N25G 1.919(5) . ?
Cu8 O22G 2.024(5) . ?
Cu8 N8H 2.029(5) . ?
Cu8 N32G 2.030(6) . ?
Cu8 N1H 2.178(6) . ?
Zn9 N25L 2.026(8) . ?
Zn9 N8I 2.046(7) . ?
Zn9 O22L 2.066(7) . ?
Zn9 N32L 2.159(9) . ?
Zn9 O11I 2.162(5) . ?
Zn9 N1I 2.243(8) . ?
Cu10 N25I 1.950(5) . ?
Cu10 O22I 1.960(5) . ?
Cu10 N32I 2.011(6) . ?
Cu10 N8J 2.125(6) . ?
Cu10 N1J 2.147(6) . ?
Zn11 N8K 2.032(6) . ?
Zn11 N25J 2.056(6) . ?
Zn11 O11K 2.085(5) . ?
Zn11 O22J 2.125(5) . ?
Zn11 N1K 2.147(6) . ?
Zn11 N32J 2.307(6) . ?
Zn12 N8L 2.027(8) . ?
Zn12 N25K 2.046(7) . ?
Zn12 O22K 2.088(6) . ?
Zn12 O11L 2.131(6) . ?
Zn12 N32K 2.202(7) . ?
Zn12 N1L 2.215(8) . ?
Zn13 N8M 2.025(5) . ?
Zn13 N25P 2.054(6) . ?
Zn13 O11M 2.098(5) . ?
Zn13 O22P 2.144(5) . ?
Zn13 N1M 2.168(6) . ?
Zn13 N32P 2.290(7) . ?
Zn14 N8N 2.042(6) . ?
Zn14 N25M 2.044(6) . ?
Zn14 O22M 2.085(5) . ?
Zn14 O11N 2.125(5) . ?
Zn14 N32M 2.177(7) . ?
Zn14 N1N 2.246(7) . ?
Zn15 N25N 2.022(7) . ?
Zn15 N8O 2.046(7) . ?
Zn15 O22N 2.077(6) . ?
Zn15 O11O 2.141(6) . ?
Zn15 N32N 2.149(10) . ?
Zn15 N1O 2.251(10) . ?
Cu16 N25O 1.919(6) . ?
Cu16 O22O 2.020(7) . ?
Cu16 N32O 2.029(8) . ?
Cu16 N1P 2.033(6) . ?
Cu16 N8P 2.285(6) . ?
C2A N1A 1.344(12) . ?
C2A C3A 1.401(14) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.42(2) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.301(18) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.399(13) . ?
C5A H5A 0.9500 . ?
C6A N1A 1.324(12) . ?
C6A C7A 1.487(12) . ?
C7A N8A 1.222(11) . ?
C7A H7A 0.9500 . ?
C10A O11A 1.255(9) . ?
C10A N9A 1.337(10) . ?
C10A C12A 1.492(10) . ?
C12A C13A 1.400(9) . ?
C12A C17A 1.406(10) . ?
C13A C14A 1.385(10) . ?
C13A H13A 0.9500 . ?
C14A C15A 1.389(9) . ?
C14A S18A 1.776(5) . ?
C15A C16A 1.365(9) . ?
C15A H15A 0.9500 . ?
C16A C17A 1.411(10) . ?
C16A C23A 1.477(10) . ?
C17A H17A 0.9500 . ?
C23A O22A 1.288(8) . ?
C23A N24A 1.301(9) . ?
C26A N25A 1.254(10) . ?
C26A C27A 1.473(10) . ?
C26A H26A 0.9500 . ?
C27A C28A 1.367(10) . ?
C27A N32A 1.390(9) . ?
C28A C29A 1.374(12) . ?
C28A H28A 0.9500 . ?
C29A C30A 1.413(13) . ?
C29A H29A 0.9500 . ?
C30A C31A 1.372(12) . ?
C30A H30A 0.9500 . ?
C31A N32A 1.326(10) . ?
C31A H31A 0.9500 . ?
N8A N9A 1.389(9) . ?
N24A N25A 1.371(8) . ?
O19A S18A 1.432(5) . ?
O19A Na7 2.401(6) . ?
O20A S18A 1.438(5) . ?
O20A Na2 2.350(6) . ?
O20A Na6 2.600(7) . ?
O21A S18A 1.455(5) . ?
O21A Na6 2.598(8) . ?
C2B N1B 1.333(9) . ?
C2B C3B 1.382(11) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.334(12) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.392(11) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.403(10) . ?
C5B H5B 0.9500 . ?
C6B N1B 1.333(9) . ?
C6B C7B 1.463(10) . ?
C7B N8B 1.288(9) . ?
C7B H7B 0.9500 . ?
C10B O11B 1.224(9) . ?
C10B N9B 1.380(8) . ?
C10B C12B 1.482(10) . ?
C12B C13B 1.393(10) . ?
C12B C17B 1.395(10) . ?
C13B C14B 1.373(11) . ?
C13B H13B 0.9500 . ?
C14B C15B 1.368(12) . ?
C14B S18B 1.782(6) . ?
C15B C16B 1.385(11) . ?
C15B H15B 0.9500 . ?
C16B C17B 1.398(10) . ?
C16B C23B 1.497(11) . ?
C17B H17B 0.9500 . ?
C23B O22B 1.255(10) . ?
C23B N24B 1.324(11) . ?
C26B N25B 1.279(14) . ?
C26B C27B 1.444(16) . ?
C26B H26B 0.9500 . ?
C27B N32B 1.322(16) . ?
C27B C28B 1.395(17) . ?
C28B C29B 1.39(2) . ?
C28B H28B 0.9500 . ?
C29B C30B 1.36(2) . ?
C29B H29B 0.9500 . ?
C30B C31B 1.44(2) . ?
C30B H30B 0.9500 . ?
C31B N32B 1.329(15) . ?
C31B H31B 0.9500 . ?
N8B N9B 1.382(8) . ?
N9B H9B 0.8800 . ?
N24B N25B 1.369(11) . ?
O19B S18B 1.409(7) . ?
O19B Na9B 2.502(12) 1_545 ?
O19B Na10 2.551(13) 1_545 ?
O20B S18B 1.431(7) . ?
O21B S18B 1.440(7) . ?
O21B Na10 2.403(11) 1_545 ?
C2C N1C 1.304(16) . ?
C2C C3C 1.41(2) . ?
C2C H2C 0.9500 . ?
C3C C4C 1.35(2) . ?
C3C H3C 0.9500 . ?
C4C C5C 1.331(19) . ?
C4C H4C 0.9500 . ?
C5C C6C 1.413(17) . ?
C5C H5C 0.9500 . ?
C6C N1C 1.328(14) . ?
C6C C7C 1.456(16) . ?
C7C N8C 1.319(13) . ?
C7C H7C 0.9500 . ?
C10C O11C 1.252(11) . ?
C10C N9C 1.351(12) . ?
C10C C12C 1.508(15) . ?
C12C C17C 1.397(13) . ?
C12C C13C 1.421(12) . ?
C13C C14C 1.355(15) . ?
C13C H13C 0.9500 . ?
C14C C15C 1.417(14) . ?
C14C S18C 1.791(7) . ?
C15C C16C 1.427(12) . ?
C15C H15C 0.9500 . ?
C16C C17C 1.369(14) . ?
C16C C23C 1.504(13) . ?
C17C H17C 0.9500 . ?
C23C O22C 1.268(11) . ?
C23C N24C 1.305(13) . ?
C26C N25C 1.256(14) . ?
C26C C27C 1.453(16) . ?
C26C H26C 0.9500 . ?
C27C N32C 1.345(12) . ?
C27C C28C 1.394(14) . ?
C28C C29C 1.46(2) . ?
C28C H28C 0.9500 . ?
C29C C30C 1.26(2) . ?
C29C H29C 0.9500 . ?
C30C C31C 1.438(16) . ?
C30C H30C 0.9500 . ?
C31C N32C 1.343(14) . ?
C31C H31C 0.9500 . ?
N8C N9C 1.332(12) . ?
N24C N25C 1.415(11) . ?
O19C S18C 1.409(8) . ?
O20C S18C 1.444(6) . ?
O20C Na6 2.246(8) . ?
O21C S18C 1.430(7) . ?
C2D N1D 1.299(11) . ?
C2D C3D 1.395(12) . ?
C2D H2D 0.9500 . ?
C3D C4D 1.403(14) . ?
C3D H3D 0.9500 . ?
C4D C5D 1.380(15) . ?
C4D H4D 0.9500 . ?
C5D C6D 1.391(11) . ?
C5D H5D 0.9500 . ?
C6D N1D 1.355(10) . ?
C6D C7D 1.440(12) . ?
C7D N8D 1.297(11) . ?
C7D H7D 0.9500 . ?
C10D O11D 1.255(10) . ?
C10D N9D 1.362(10) . ?
C10D C12D 1.480(11) . ?
C12D C13D 1.393(10) . ?
C12D C17D 1.394(11) . ?
C13D C14D 1.379(11) . ?
C13D H13D 0.9500 . ?
C14D C15D 1.382(12) . ?
C14D S18D 1.781(6) . ?
C15D C16D 1.385(11) . ?
C15D H15D 0.9500 . ?
C16D C17D 1.413(11) . ?
C16D C23D 1.454(12) . ?
C17D H17D 0.9500 . ?
C23D O22D 1.284(10) . ?
C23D N24D 1.361(10) . ?
C26D N25D 1.285(11) . ?
C26D C27D 1.445(13) . ?
C26D H26D 0.9500 . ?
C27D C28D 1.385(13) . ?
C27D N32D 1.389(12) . ?
C28D C29D 1.349(17) . ?
C28D H28D 0.9500 . ?
C29D C30D 1.37(2) . ?
C29D H29D 0.9500 . ?
C30D C31D 1.423(18) . ?
C30D H30D 0.9500 . ?
C31D N32D 1.294(13) . ?
C31D H31D 0.9500 . ?
N8D N9D 1.372(9) . ?
N24D N25D 1.356(10) . ?
O19D S18D 1.437(5) . ?
O20D S18D 1.435(6) . ?
O20D Na9A 2.268(8) 1_545 ?
O20D Na9B 2.310(11) 1_545 ?
O21D S18D 1.476(6) . ?
C2E N1E 1.330(10) . ?
C2E C3E 1.359(13) . ?
C2E H2E 0.9500 . ?
C3E C4E 1.389(13) . ?
C3E H3E 0.9500 . ?
C4E C5E 1.391(11) . ?
C4E H4E 0.9500 . ?
C5E C6E 1.383(11) . ?
C5E H5E 0.9500 . ?
C6E N1E 1.344(9) . ?
C6E C7E 1.443(10) . ?
C7E N8E 1.304(9) . ?
C7E H7E 0.9500 . ?
C10E O11E 1.276(9) . ?
C10E N9E 1.348(9) . ?
C10E C12E 1.486(10) . ?
C12E C17E 1.388(10) . ?
C12E C13E 1.395(10) . ?
C13E C14E 1.401(11) . ?
C13E H13E 0.9500 . ?
C14E C15E 1.367(10) . ?
C14E S18E 1.778(6) . ?
C15E C16E 1.423(10) . ?
C15E H15E 0.9500 . ?
C16E C17E 1.359(11) . ?
C16E C23E 1.494(10) . ?
C17E H17E 0.9500 . ?
C23E O22E 1.265(9) . ?
C23E N24E 1.345(10) . ?
C26E N25E 1.277(11) . ?
C26E C27E 1.492(14) . ?
C26E H26E 0.9500 . ?
C27E C28E 1.339(14) . ?
C27E N32E 1.368(13) . ?
C28E C29E 1.383(19) . ?
C28E H28E 0.9500 . ?
C29E C30E 1.41(2) . ?
C29E H29E 0.9500 . ?
C30E C31E 1.345(16) . ?
C30E H30E 0.9500 . ?
C31E N32E 1.296(12) . ?
C31E H31E 0.9500 . ?
N8E N9E 1.371(8) . ?
N24E N25E 1.355(10) . ?
O19E S18E 1.441(6) . ?
O20E S18E 1.440(6) . ?
O20E Na8 2.383(9) . ?
O21E S18E 1.437(5) . ?
O21E Na1 2.302(5) . ?
C2F N1F 1.336(14) . ?
C2F C3F 1.411(17) . ?
C2F H2F 0.9500 . ?
C3F C4F 1.37(2) . ?
C3F H3F 0.9500 . ?
C4F C5F 1.349(18) . ?
C4F H4F 0.9500 . ?
C5F C6F 1.366(15) . ?
C5F H5F 0.9500 . ?
C6F N1F 1.367(13) . ?
C6F C7F 1.449(15) . ?
C7F N8F 1.266(13) . ?
C7F H7F 0.9500 . ?
C10F O11F 1.276(9) . ?
C10F N9F 1.329(11) . ?
C10F C12F 1.532(12) . ?
C12F C17F 1.374(12) . ?
C12F C13F 1.376(11) . ?
C13F C14F 1.403(12) . ?
C13F H13F 0.9500 . ?
C14F C15F 1.367(13) . ?
C14F S18F 1.778(6) . ?
C15F C16F 1.418(11) . ?
C15F H15F 0.9500 . ?
C16F C17F 1.366(12) . ?
C16F C23F 1.496(13) . ?
C17F H17F 0.9500 . ?
C23F O22F 1.263(10) . ?
C23F N24F 1.330(12) . ?
C26F N25F 1.286(12) . ?
C26F C27F 1.448(15) . ?
C26F H26F 0.9500 . ?
C27F C28F 1.347(15) . ?
C27F N32F 1.370(12) . ?
C28F C29F 1.449(19) . ?
C28F H28F 0.9500 . ?
C29F C30F 1.326(18) . ?
C29F H29F 0.9500 . ?
C30F C31F 1.379(17) . ?
C30F H30F 0.9500 . ?
C31F N32F 1.313(14) . ?
C31F H31F 0.9500 . ?
N8F N9F 1.356(11) . ?
N24F N25F 1.350(11) . ?
O19F S18F 1.430(6) . ?
O19F Na4 2.350(7) 1_545 ?
O19F Na11 2.788(11) 1_545 ?
O20F S18F 1.447(6) . ?
O20F Na12 2.317(14) 1_545 ?
O20F Na5 2.404(8) 1_545 ?
O21F S18F 1.426(7) . ?
O21F Na11 2.525(11) 1_545 ?
O21F Na12 2.712(16) 1_545 ?
C2G N1G 1.338(15) . ?
C2G C3G 1.410(17) . ?
C2G H2G 0.9500 . ?
C3G C4G 1.36(2) . ?
C3G H3G 0.9500 . ?
C4G C5G 1.368(19) . ?
C4G H4G 0.9500 . ?
C5G C6G 1.386(14) . ?
C5G H5G 0.9500 . ?
C6G N1G 1.348(12) . ?
C6G C7G 1.431(15) . ?
C7G N8G 1.289(12) . ?
C7G H7G 0.9500 . ?
C10G O11G 1.254(10) . ?
C10G N9G 1.369(11) . ?
C10G C12G 1.473(12) . ?
C12G C17G 1.395(11) . ?
C12G C13G 1.397(10) . ?
C13G C14G 1.365(12) . ?
C13G H13G 0.9500 . ?
C14G C15G 1.387(11) . ?
C14G S18G 1.788(6) . ?
C15G C16G 1.396(9) . ?
C15G H15G 0.9500 . ?
C16G C17G 1.360(11) . ?
C16G C23G 1.476(11) . ?
C17G H17G 0.9500 . ?
C23G O22G 1.284(8) . ?
C23G N24G 1.340(10) . ?
C26G N25G 1.268(10) . ?
C26G C27G 1.462(10) . ?
C26G H26G 0.9500 . ?
C27G C28G 1.357(11) . ?
C27G N32G 1.385(9) . ?
C28G C29G 1.349(13) . ?
C28G H28G 0.9500 . ?
C29G C30G 1.402(13) . ?
C29G H29G 0.9500 . ?
C30G C31G 1.421(13) . ?
C30G H30G 0.9500 . ?
C31G N32G 1.288(11) . ?
C31G H31G 0.9500 . ?
N8G N9G 1.367(11) . ?
N24G N25G 1.383(9) . ?
O19G S18G 1.448(5) . ?
O19G Na1 2.339(6) . ?
O20G S18G 1.444(6) . ?
O20G Na8 2.397(9) . ?
O21G S18G 1.419(6) . ?
O21G Na3 2.280(6) . ?
C2H N1H 1.307(10) . ?
C2H C3H 1.383(13) . ?
C2H H2H 0.9500 . ?
C3H C4H 1.405(14) . ?
C3H H3H 0.9500 . ?
C4H C5H 1.383(12) . ?
C4H H4H 0.9500 . ?
C5H C6H 1.421(11) . ?
C5H H5H 0.9500 . ?
C6H N1H 1.330(9) . ?
C6H C7H 1.452(10) . ?
C7H N8H 1.286(9) . ?
C7H H7H 0.9500 . ?
C10H O11H 1.221(8) . ?
C10H N9H 1.357(8) . ?
C10H C12H 1.455(9) . ?
C12H C17H 1.402(9) . ?
C12H C13H 1.416(8) . ?
C13H C14H 1.384(10) . ?
C13H H13H 0.9500 . ?
C14H C15H 1.383(9) . ?
C14H S18H 1.785(5) . ?
C15H C16H 1.403(9) . ?
C15H H15H 0.9500 . ?
C16H C17H 1.393(9) . ?
C16H C23H 1.480(9) . ?
C17H H17H 0.9500 . ?
C23H O22H 1.276(8) . ?
C23H N24H 1.331(9) . ?
C26H N25H 1.284(10) . ?
C26H C27H 1.464(11) . ?
C26H H26H 0.9500 . ?
C27H N32H 1.352(12) . ?
C27H C28H 1.381(13) . ?
C28H C29H 1.415(18) . ?
C28H H28H 0.9500 . ?
C29H C30H 1.29(2) . ?
C29H H29H 0.9500 . ?
C30H C31H 1.386(18) . ?
C30H H30H 0.9500 . ?
C31H N32H 1.312(12) . ?
C31H H31H 0.9500 . ?
N8H N9H 1.385(8) . ?
N9H H9H 0.8800 . ?
N24H N25H 1.355(8) . ?
O19H S18H 1.453(5) . ?
O19H Na4 2.394(6) 1_545 ?
O19H Na11 2.592(10) 1_545 ?
O20H S18H 1.431(5) . ?
O21H S18H 1.439(6) . ?
C2I N1I 1.357(14) . ?
C2I C3I 1.433(19) . ?
C2I H2I 0.9500 . ?
C3I C4I 1.39(2) . ?
C3I H3I 0.9500 . ?
C4I C5I 1.327(19) . ?
C4I H4I 0.9500 . ?
C5I C6I 1.401(16) . ?
C5I H5I 0.9500 . ?
C6I N1I 1.322(14) . ?
C6I C7I 1.476(13) . ?
C7I N8I 1.252(12) . ?
C7I H7I 0.9500 . ?
C10I O11I 1.274(9) . ?
C10I N9I 1.347(10) . ?
C10I C12I 1.480(9) . ?
C12I C13I 1.391(9) . ?
C12I C17I 1.398(10) . ?
C13I C14I 1.424(10) . ?
C13I H13I 0.9500 . ?
C14I C15I 1.358(10) . ?
C14I S18I 1.779(5) . ?
C15I C16I 1.418(9) . ?
C15I H15I 0.9500 . ?
C16I C17I 1.358(10) . ?
C16I C23I 1.472(10) . ?
C17I H17I 0.9500 . ?
C23I O22I 1.288(8) . ?
C23I N24I 1.321(9) . ?
C26I N25I 1.254(9) . ?
C26I C27I 1.460(10) . ?
C26I H26I 0.9500 . ?
C27I C28I 1.369(11) . ?
C27I N32I 1.375(8) . ?
C28I C29I 1.405(11) . ?
C28I H28I 0.9500 . ?
C29I C30I 1.354(12) . ?
C29I H29I 0.9500 . ?
C30I C31I 1.389(12) . ?
C30I H30I 0.9500 . ?
C31I N32I 1.355(10) . ?
C31I H31I 0.9500 . ?
N8I N9I 1.377(9) . ?
N24I N25I 1.359(8) . ?
O19I S18I 1.436(6) . ?
O19I Na8 2.400(7) . ?
O20I S18I 1.448(5) . ?
O20I Na1 2.313(6) . ?
O20I Na3 2.895(8) . ?
O21I S18I 1.441(5) . ?
O21I Na3 2.406(6) . ?
C2J N1J 1.326(10) . ?
C2J C3J 1.355(12) . ?
C2J H2J 0.9500 . ?
C3J C4J 1.428(11) . ?
C3J H3J 0.9500 . ?
C4J C5J 1.367(12) . ?
C4J H4J 0.9500 . ?
C5J C6J 1.370(10) . ?
C5J H5J 0.9500 . ?
C6J N1J 1.373(8) . ?
C6J C7J 1.463(10) . ?
C7J N8J 1.232(10) . ?
C7J H7J 0.9500 . ?
C10J O11J 1.206(9) . ?
C10J N9J 1.394(9) . ?
C10J C12J 1.464(10) . ?
C12J C13J 1.383(10) . ?
C12J C17J 1.423(9) . ?
C13J C14J 1.371(12) . ?
C13J H13J 0.9500 . ?
C14J C15J 1.395(11) . ?
C14J S18J 1.782(6) . ?
C15J C16J 1.406(9) . ?
C15J H15J 0.9500 . ?
C16J C17J 1.378(10) . ?
C16J C23J 1.510(9) . ?
C17J H17J 0.9500 . ?
C23J O22J 1.279(9) . ?
C23J N24J 1.314(10) . ?
C26J N25J 1.269(11) . ?
C26J C27J 1.454(11) . ?
C26J H26J 0.9500 . ?
C27J N32J 1.351(10) . ?
C27J C28J 1.373(12) . ?
C28J C29J 1.391(13) . ?
C28J H28J 0.9500 . ?
C29J C30J 1.403(14) . ?
C29J H29J 0.9500 . ?
C30J C31J 1.379(13) . ?
C30J H30J 0.9500 . ?
C31J N32J 1.325(11) . ?
C31J H31J 0.9500 . ?
N8J N9J 1.372(9) . ?
N9J H9J 0.8800 . ?
N24J N25J 1.393(8) . ?
O19J S18J 1.434(7) . ?
O19J Na10 2.317(10) . ?
O19J Na9B 2.554(13) . ?
O20J S18J 1.425(6) . ?
O21J S18J 1.443(7) . ?
O21J Na9A 2.192(9) . ?
O21J Na9B 2.558(11) . ?
C2K N1K 1.308(11) . ?
C2K C3K 1.406(14) . ?
C2K H2K 0.9500 . ?
C3K C4K 1.381(15) . ?
C3K H3K 0.9500 . ?
C4K C5K 1.374(14) . ?
C4K H4K 0.9500 . ?
C5K C6K 1.370(11) . ?
C5K H5K 0.9500 . ?
C6K N1K 1.368(9) . ?
C6K C7K 1.479(11) . ?
C7K N8K 1.303(10) . ?
C7K H7K 0.9500 . ?
C10K O11K 1.292(9) . ?
C10K N9K 1.327(10) . ?
C10K C12K 1.481(11) . ?
C12K C17K 1.381(11) . ?
C12K C13K 1.431(10) . ?
C13K C14K 1.372(12) . ?
C13K H13K 0.9500 . ?
C14K C15K 1.386(12) . ?
C14K S18K 1.787(6) . ?
C15K C16K 1.415(11) . ?
C15K H15K 0.9500 . ?
C16K C17K 1.400(11) . ?
C16K C23K 1.461(11) . ?
C17K H17K 0.9500 . ?
C23K O22K 1.265(9) . ?
C23K N24K 1.350(10) . ?
C26K N25K 1.266(11) . ?
C26K C27K 1.457(13) . ?
C26K H26K 0.9500 . ?
C27K N32K 1.360(11) . ?
C27K C28K 1.363(12) . ?
C28K C29K 1.403(14) . ?
C28K H28K 0.9500 . ?
C29K C30K 1.379(15) . ?
C29K H29K 0.9500 . ?
C30K C31K 1.377(14) . ?
C30K H30K 0.9500 . ?
C31K N32K 1.345(12) . ?
C31K H31K 0.9500 . ?
N8K N9K 1.372(9) . ?
N24K N25K 1.364(9) . ?
O19K S18K 1.423(8) . ?
O20K S18K 1.426(8) . ?
O21K S18K 1.428(6) . ?
O21K Na3 2.397(6) . ?
C2L N1L 1.291(15) . ?
C2L C3L 1.404(18) . ?
C2L H2L 0.9500 . ?
C3L C4L 1.331(19) . ?
C3L H3L 0.9500 . ?
C4L C5L 1.408(18) . ?
C4L H4L 0.9500 . ?
C5L C6L 1.361(15) . ?
C5L H5L 0.9500 . ?
C6L N1L 1.335(14) . ?
C6L C7L 1.461(16) . ?
C7L N8L 1.282(15) . ?
C7L H7L 0.9500 . ?
C10L O11L 1.236(11) . ?
C10L N9L 1.329(13) . ?
C10L C12L 1.502(12) . ?
C12L C17L 1.381(13) . ?
C12L C13L 1.390(12) . ?
C13L C14L 1.347(15) . ?
C13L H13L 0.9500 . ?
C14L C15L 1.411(16) . ?
C14L S18L 1.769(7) . ?
C15L C16L 1.385(13) . ?
C15L H15L 0.9500 . ?
C16L C17L 1.400(12) . ?
C16L C23L 1.463(14) . ?
C17L H17L 0.9500 . ?
C23L O22L 1.300(11) . ?
C23L N24L 1.323(12) . ?
C26L N25L 1.268(13) . ?
C26L C27L 1.499(15) . ?
C26L H26L 0.9500 . ?
C27L N32L 1.339(13) . ?
C27L C28L 1.404(15) . ?
C28L C29L 1.375(18) . ?
C28L H28L 0.9500 . ?
C29L C30L 1.382(18) . ?
C29L H29L 0.9500 . ?
C30L C31L 1.380(17) . ?
C30L H30L 0.9500 . ?
C31L N32L 1.310(15) . ?
C31L H31L 0.9500 . ?
N8L N9L 1.367(11) . ?
N24L N25L 1.412(13) . ?
O19L S18L 1.484(10) . ?
O19L Na10 2.215(13) . ?
O20L S18L 1.401(9) . ?
O21L S18L 1.435(9) . ?
C2M N1M 1.328(10) . ?
C2M C3M 1.362(13) . ?
C2M H2M 0.9500 . ?
C3M C4M 1.378(14) . ?
C3M H3M 0.9500 . ?
C4M C5M 1.398(12) . ?
C4M H4M 0.9500 . ?
C5M C6M 1.371(12) . ?
C5M H5M 0.9500 . ?
C6M N1M 1.358(9) . ?
C6M C7M 1.456(10) . ?
C7M N8M 1.298(10) . ?
C7M H7M 0.9500 . ?
C10M O11M 1.284(8) . ?
C10M N9M 1.329(9) . ?
C10M C12M 1.472(10) . ?
C12M C13M 1.393(9) . ?
C12M C17M 1.405(10) . ?
C13M C14M 1.385(10) . ?
C13M H13M 0.9500 . ?
C14M C15M 1.399(10) . ?
C14M S18M 1.791(6) . ?
C15M C16M 1.377(10) . ?
C15M H15M 0.9500 . ?
C16M C17M 1.396(10) . ?
C16M C23M 1.484(10) . ?
C17M H17M 0.9500 . ?
C23M O22M 1.241(8) . ?
C23M N24M 1.337(10) . ?
C26M N25M 1.282(10) . ?
C26M C27M 1.454(12) . ?
C26M H26M 0.9500 . ?
C27M N32M 1.320(11) . ?
C27M C28M 1.400(14) . ?
C28M C29M 1.370(15) . ?
C28M H28M 0.9500 . ?
C29M C30M 1.342(16) . ?
C29M H29M 0.9500 . ?
C30M C31M 1.424(14) . ?
C30M H30M 0.9500 . ?
C31M N32M 1.356(11) . ?
C31M H31M 0.9500 . ?
N8M N9M 1.374(8) . ?
N24M N25M 1.395(9) . ?
O19M S18M 1.449(6) . ?
O20M S18M 1.431(6) . ?
O20M Na7 2.311(9) . ?
O21M S18M 1.425(5) . ?
O21M Na2 2.316(6) . ?
C2N N1N 1.350(13) . ?
C2N C3N 1.397(16) . ?
C2N H2N 0.9500 . ?
C3N C4N 1.290(17) . ?
C3N H3N 0.9500 . ?
C4N C5N 1.439(16) . ?
C4N H4N 0.9500 . ?
C5N C6N 1.382(13) . ?
C5N H5N 0.9500 . ?
C6N N1N 1.337(12) . ?
C6N C7N 1.435(13) . ?
C7N N8N 1.265(12) . ?
C7N H7N 0.9500 . ?
C10N O11N 1.258(9) . ?
C10N N9N 1.329(11) . ?
C10N C12N 1.501(10) . ?
C12N C17N 1.380(11) . ?
C12N C13N 1.381(10) . ?
C13N C14N 1.368(11) . ?
C13N H13N 0.9500 . ?
C14N C15N 1.370(11) . ?
C14N S18N 1.781(6) . ?
C15N C16N 1.418(10) . ?
C15N H15N 0.9500 . ?
C16N C17N 1.403(11) . ?
C16N C23N 1.457(11) . ?
C17N H17N 0.9500 . ?
C23N O22N 1.258(9) . ?
C23N N24N 1.363(11) . ?
C26N N25N 1.268(12) . ?
C26N C27N 1.443(14) . ?
C26N H26N 0.9500 . ?
C27N C28N 1.329(17) . ?
C27N N32N 1.376(14) . ?
C28N C29N 1.339(19) . ?
C28N H28N 0.9500 . ?
C29N C30N 1.47(2) . ?
C29N H29N 0.9500 . ?
C30N C31N 1.34(2) . ?
C30N H30N 0.9500 . ?
C31N N32N 1.323(15) . ?
C31N H31N 0.9500 . ?
N8N N9N 1.384(9) . ?
N24N N25N 1.371(10) . ?
O19N S18N 1.449(6) . ?
O19N Na12 2.300(14) . ?
O20N S18N 1.437(5) . ?
O20N Na5 2.324(6) . ?
O20N Na4 2.604(7) . ?
O21N S18N 1.439(6) . ?
O21N Na11 2.358(10) . ?
O21N Na4 2.447(7) . ?
C2O N1O 1.339(16) . ?
C2O C3O 1.43(2) . ?
C2O H2O 0.9500 . ?
C3O C4O 1.29(3) . ?
C3O H3O 0.9500 . ?
C4O C5O 1.35(2) . ?
C4O H4O 0.9500 . ?
C5O C6O 1.365(18) . ?
C5O H5O 0.9500 . ?
C6O N1O 1.302(15) . ?
C6O C7O 1.484(16) . ?
C7O N8O 1.267(14) . ?
C7O H7O 0.9500 . ?
C10O O11O 1.269(10) . ?
C10O N9O 1.314(12) . ?
C10O C12O 1.496(12) . ?
C12O C17O 1.379(12) . ?
C12O C13O 1.411(9) . ?
C13O C14O 1.378(12) . ?
C13O H13O 0.9500 . ?
C14O C15O 1.386(12) . ?
C14O S18O 1.784(6) . ?
C15O C16O 1.406(10) . ?
C15O H15O 0.9500 . ?
C16O C17O 1.366(12) . ?
C16O C23O 1.475(12) . ?
C17O H17O 0.9500 . ?
C23O O22O 1.285(8) . ?
C23O N24O 1.345(11) . ?
C26O N25O 1.258(11) . ?
C26O C27O 1.500(12) . ?
C26O H26O 0.9500 . ?
C27O C28O 1.352(14) . ?
C27O N32O 1.364(10) . ?
C28O C29O 1.426(16) . ?
C28O H28O 0.9500 . ?
C29O C30O 1.386(17) . ?
C29O H29O 0.9500 . ?
C30O C31O 1.350(18) . ?
C30O H30O 0.9500 . ?
C31O N32O 1.315(14) . ?
C31O H31O 0.9500 . ?
N8O N9O 1.404(11) . ?
N24O N25O 1.366(10) . ?
O19O S18O 1.409(6) . ?
O19O Na2 2.416(7) . ?
O19O Na7 2.731(8) . ?
O20O S18O 1.469(6) . ?
O20O Na7 2.435(8) . ?
O21O S18O 1.445(6) . ?
O21O Na6 2.251(6) . ?
C2P N1P 1.330(11) . ?
C2P C3P 1.418(11) . ?
C2P H2P 0.9500 . ?
C3P C4P 1.344(12) . ?
C3P H3P 0.9500 . ?
C4P C5P 1.418(13) . ?
C4P H4P 0.9500 . ?
C5P C6P 1.404(10) . ?
C5P H5P 0.9500 . ?
C6P N1P 1.363(9) . ?
C6P C7P 1.457(11) . ?
C7P N8P 1.263(10) . ?
C7P H7P 0.9500 . ?
C10P O11P 1.224(9) . ?
C10P N9P 1.357(9) . ?
C10P C12P 1.478(11) . ?
C12P C17P 1.377(10) . ?
C12P C13P 1.415(10) . ?
C13P C14P 1.399(13) . ?
C13P H13P 0.9500 . ?
C14P C15P 1.401(13) . ?
C14P S18P 1.792(6) . ?
C15P C16P 1.408(10) . ?
C15P H15P 0.9500 . ?
C16P C17P 1.406(11) . ?
C16P C23P 1.479(11) . ?
C17P H17P 0.9500 . ?
C23P O22P 1.264(9) . ?
C23P N24P 1.344(10) . ?
C26P N25P 1.285(11) . ?
C26P C27P 1.412(13) . ?
C26P H26P 0.9500 . ?
C27P C28P 1.357(13) . ?
C27P N32P 1.388(12) . ?
C28P C29P 1.386(16) . ?
C28P H28P 0.9500 . ?
C29P C30P 1.363(17) . ?
C29P H29P 0.9500 . ?
C30P C31P 1.391(15) . ?
C30P H30P 0.9500 . ?
C31P N32P 1.350(12) . ?
C31P H31P 0.9500 . ?
N8P N9P 1.346(10) . ?
N9P H9P 0.8800 . ?
N24P N25P 1.362(10) . ?
O19P S18P 1.401(8) . ?
O19P Na12 1.855(16) . ?
O20P S18P 1.420(8) . ?
O21P S18P 1.466(8) . ?
Na1 O5 2.438(7) . ?
Na1 O1 2.477(5) . ?
Na1 O2 2.567(6) . ?
Na2 O2 2.412(6) . ?
Na2 O1 2.497(5) . ?
Na2 O5 2.573(7) . ?
Na3 O3 2.349(7) . ?
Na3 O1T 2.383(9) . ?
Na4 O10 2.255(8) . ?
Na4 O19F 2.350(7) 1_565 ?
Na4 O4 2.385(7) . ?
Na4 O19H 2.394(6) 1_565 ?
Na5 O28 2.378(12) . ?
Na5 O9 2.391(8) . ?
Na5 O20F 2.404(8) 1_565 ?
Na5 O4 2.409(7) . ?
Na5 O13 2.452(11) . ?
Na6 O8 2.382(9) . ?
Na6 O21 2.662(12) . ?
Na7 O11 2.307(9) . ?
Na8 O22 2.246(13) . ?
Na8 O36 2.50(3) . ?
Na9A O20D 2.268(8) 1_565 ?
Na9A O99A 2.35(3) . ?
Na9A O15 2.472(11) . ?
Na9A O7 2.610(10) . ?
Na9B O15 2.130(15) . ?
Na9B O20D 2.310(11) 1_565 ?
Na9B O19B 2.502(12) 1_565 ?
Na9B O7 2.818(12) . ?
Na9B O13 3.003(16) . ?
Na10 O13 2.246(12) . ?
Na10 O21B 2.403(11) 1_565 ?
Na10 O19B 2.551(13) 1_565 ?
Na11 O29 2.345(15) . ?
Na11 O38 2.44(2) 1_565 ?
Na11 O21F 2.525(11) 1_565 ?
Na11 O19H 2.592(10) 1_565 ?
Na11 O19F 2.787(11) 1_565 ?
Na12 O38 2.24(2) 1_565 ?
Na12 O20F 2.317(14) 1_565 ?
Na12 O21F 2.712(16) 1_565 ?
O38 Na12 2.24(2) 1_545 ?
O38 Na11 2.44(2) 1_545 ?
O48 O49 0.93(5) 2_565 ?
O49 O48 0.93(5) 2_464 ?
C1S O1S 1.231(15) . ?
C1S N1S 1.334(14) . ?
C1S H1S 0.9500 . ?
C2S N1S 1.406(11) . ?
C2S H2S1 0.9800 . ?
C2S H2S2 0.9800 . ?
C2S H2S3 0.9800 . ?
C3S N1S 1.421(10) . ?
C3S H3S1 0.9800 . ?
C3S H3S2 0.9800 . ?
C3S H3S3 0.9800 . ?
C1T O1T 1.229(15) . ?
C1T N1T 1.331(15) . ?
C1T H1T 0.9500 . ?
C2T N1T 1.409(12) . ?
C2T H2T1 0.9800 . ?
C2T H2T2 0.9800 . ?
C2T H2T3 0.9800 . ?
C3T N1T 1.419(12) . ?
C3T H3T1 0.9800 . ?
C3T H3T2 0.9800 . ?
C3T H3T3 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N25D Zn1 N8A 176.8(3) . . ?
N25D Zn1 O11A 102.5(2) . . ?
N8A Zn1 O11A 75.8(2) . . ?
N25D Zn1 N1A 105.0(3) . . ?
N8A Zn1 N1A 76.6(3) . . ?
O11A Zn1 N1A 152.5(3) . . ?
N25D Zn1 O22D 74.7(2) . . ?
N8A Zn1 O22D 102.6(2) . . ?
O11A Zn1 O22D 94.2(2) . . ?
N1A Zn1 O22D 92.2(3) . . ?
N25D Zn1 N32D 76.4(3) . . ?
N8A Zn1 N32D 106.3(3) . . ?
O11A Zn1 N32D 94.0(2) . . ?
N1A Zn1 N32D 93.1(3) . . ?
O22D Zn1 N32D 151.1(3) . . ?
N25A Cu2 O22A 78.7(2) . . ?
N25A Cu2 N32A 80.1(2) . . ?
O22A Cu2 N32A 156.5(2) . . ?
N25A Cu2 N8B 160.3(2) . . ?
O22A Cu2 N8B 97.5(2) . . ?
N32A Cu2 N8B 99.0(2) . . ?
N25A Cu2 N1B 121.9(2) . . ?
O22A Cu2 N1B 100.7(2) . . ?
N32A Cu2 N1B 99.0(2) . . ?
N8B Cu2 N1B 77.8(2) . . ?
N8C Zn3 N25B 169.8(3) . . ?
N8C Zn3 O11C 75.4(3) . . ?
N25B Zn3 O11C 102.9(3) . . ?
N8C Zn3 O22B 114.6(3) . . ?
N25B Zn3 O22B 75.5(3) . . ?
O11C Zn3 O22B 95.3(3) . . ?
N8C Zn3 N1C 76.5(3) . . ?
N25B Zn3 N1C 105.7(4) . . ?
O11C Zn3 N1C 151.4(3) . . ?
O22B Zn3 N1C 91.3(3) . . ?
N8C Zn3 N32B 96.0(3) . . ?
N25B Zn3 N32B 74.0(3) . . ?
O11C Zn3 N32B 94.3(4) . . ?
O22B Zn3 N32B 149.3(3) . . ?
N1C Zn3 N32B 94.0(4) . . ?
N25C Zn4 N8D 172.9(3) . . ?
N25C Zn4 O11D 111.5(3) . . ?
N8D Zn4 O11D 75.2(2) . . ?
N25C Zn4 O22C 74.8(3) . . ?
N8D Zn4 O22C 107.0(2) . . ?
O11D Zn4 O22C 98.5(3) . . ?
N25C Zn4 N1D 96.2(3) . . ?
N8D Zn4 N1D 76.9(2) . . ?
O11D Zn4 N1D 152.0(2) . . ?
O22C Zn4 N1D 91.5(3) . . ?
N25C Zn4 N32C 75.2(3) . . ?
N8D Zn4 N32C 103.1(3) . . ?
O11D Zn4 N32C 90.3(3) . . ?
O22C Zn4 N32C 149.9(3) . . ?
N1D Zn4 N32C 94.0(3) . . ?
N8E Zn5 N25H 169.9(2) . . ?
N8E Zn5 O11E 75.0(2) . . ?
N25H Zn5 O11E 104.9(2) . . ?
N8E Zn5 O22H 115.6(2) . . ?
N25H Zn5 O22H 74.5(2) . . ?
O11E Zn5 O22H 95.6(2) . . ?
N8E Zn5 N1E 76.2(2) . . ?
N25H Zn5 N1E 104.5(2) . . ?
O11E Zn5 N1E 150.6(2) . . ?
O22H Zn5 N1E 91.7(2) . . ?
N8E Zn5 N32H 94.5(2) . . ?
N25H Zn5 N32H 75.3(2) . . ?
O11E Zn5 N32H 89.7(2) . . ?
O22H Zn5 N32H 149.7(2) . . ?
N1E Zn5 N32H 98.2(2) . . ?
N8F Zn6 N25E 170.8(3) . . ?
N8F Zn6 O22E 104.3(2) . . ?
N25E Zn6 O22E 75.6(2) . . ?
N8F Zn6 O11F 75.6(3) . . ?
N25E Zn6 O11F 113.6(3) . . ?
O22E Zn6 O11F 96.7(2) . . ?
N8F Zn6 N32E 104.0(3) . . ?
N25E Zn6 N32E 76.2(3) . . ?
O22E Zn6 N32E 151.6(2) . . ?
O11F Zn6 N32E 91.5(3) . . ?
N8F Zn6 N1F 75.5(3) . . ?
N25E Zn6 N1F 95.3(3) . . ?
O22E Zn6 N1F 90.5(3) . . ?
O11F Zn6 N1F 151.1(2) . . ?
N32E Zn6 N1F 95.3(3) . . ?
N25F Zn7 N8G 176.2(3) . . ?
N25F Zn7 O22F 76.1(3) . . ?
N8G Zn7 O22F 100.8(3) . . ?
N25F Zn7 O11G 103.1(3) . . ?
N8G Zn7 O11G 74.7(3) . . ?
O22F Zn7 O11G 94.4(2) . . ?
N25F Zn7 N32F 77.0(3) . . ?
N8G Zn7 N32F 105.9(3) . . ?
O22F Zn7 N32F 153.1(3) . . ?
O11G Zn7 N32F 89.9(3) . . ?
N25F Zn7 N1G 106.9(3) . . ?
N8G Zn7 N1G 75.2(3) . . ?
O22F Zn7 N1G 90.8(3) . . ?
O11G Zn7 N1G 149.9(3) . . ?
N32F Zn7 N1G 98.7(3) . . ?
N25G Cu8 O22G 79.2(2) . . ?
N25G Cu8 N8H 165.8(2) . . ?
O22G Cu8 N8H 98.8(2) . . ?
N25G Cu8 N32G 80.5(2) . . ?
O22G Cu8 N32G 156.3(2) . . ?
N8H Cu8 N32G 97.8(2) . . ?
N25G Cu8 N1H 116.3(2) . . ?
O22G Cu8 N1H 100.5(2) . . ?
N8H Cu8 N1H 77.9(2) . . ?
N32G Cu8 N1H 99.5(3) . . ?
N25L Zn9 N8I 173.8(3) . . ?
N25L Zn9 O22L 76.5(3) . . ?
N8I Zn9 O22L 106.3(3) . . ?
N25L Zn9 N32L 76.8(3) . . ?
N8I Zn9 N32L 100.6(3) . . ?
O22L Zn9 N32L 153.2(3) . . ?
N25L Zn9 O11I 110.9(3) . . ?
N8I Zn9 O11I 74.7(2) . . ?
O22L Zn9 O11I 94.1(2) . . ?
N32L Zn9 O11I 92.4(3) . . ?
N25L Zn9 N1I 99.5(3) . . ?
N8I Zn9 N1I 75.2(3) . . ?
O22L Zn9 N1I 88.6(3) . . ?
N32L Zn9 N1I 98.9(3) . . ?
O11I Zn9 N1I 149.3(3) . . ?
N25I Cu10 O22I 79.4(2) . . ?
N25I Cu10 N32I 80.2(2) . . ?
O22I Cu10 N32I 157.3(2) . . ?
N25I Cu10 N8J 162.7(3) . . ?
O22I Cu10 N8J 96.6(3) . . ?
N32I Cu10 N8J 99.9(3) . . ?
N25I Cu10 N1J 120.5(2) . . ?
O22I Cu10 N1J 98.9(2) . . ?
N32I Cu10 N1J 100.0(2) . . ?
N8J Cu10 N1J 76.7(2) . . ?
N8K Zn11 N25J 167.8(2) . . ?
N8K Zn11 O11K 75.0(2) . . ?
N25J Zn11 O11K 101.1(2) . . ?
N8K Zn11 O22J 116.4(2) . . ?
N25J Zn11 O22J 75.1(2) . . ?
O11K Zn11 O22J 94.6(2) . . ?
N8K Zn11 N1K 77.4(2) . . ?
N25J Zn11 N1K 106.8(2) . . ?
O11K Zn11 N1K 152.1(2) . . ?
O22J Zn11 N1K 93.8(2) . . ?
N8K Zn11 N32J 94.1(2) . . ?
N25J Zn11 N32J 74.4(2) . . ?
O11K Zn11 N32J 92.0(2) . . ?
O22J Zn11 N32J 149.5(2) . . ?
N1K Zn11 N32J 94.0(2) . . ?
N8L Zn12 N25K 171.2(3) . . ?
N8L Zn12 O22K 112.9(3) . . ?
N25K Zn12 O22K 75.1(2) . . ?
N8L Zn12 O11L 74.7(3) . . ?
N25K Zn12 O11L 101.3(3) . . ?
O22K Zn12 O11L 96.5(3) . . ?
N8L Zn12 N32K 95.6(3) . . ?
N25K Zn12 N32K 76.4(3) . . ?
O22K Zn12 N32K 151.5(3) . . ?
O11L Zn12 N32K 89.6(3) . . ?
N8L Zn12 N1L 76.6(3) . . ?
N25K Zn12 N1L 107.7(3) . . ?
O22K Zn12 N1L 91.2(3) . . ?
O11L Zn12 N1L 151.0(3) . . ?
N32K Zn12 N1L 96.9(3) . . ?
N8M Zn13 N25P 169.6(2) . . ?
N8M Zn13 O11M 75.3(2) . . ?
N25P Zn13 O11M 104.3(2) . . ?
N8M Zn13 O22P 115.2(2) . . ?
N25P Zn13 O22P 75.3(2) . . ?
O11M Zn13 O22P 96.6(2) . . ?
N8M Zn13 N1M 77.1(2) . . ?
N25P Zn13 N1M 103.7(2) . . ?
O11M Zn13 N1M 152.0(2) . . ?
O22P Zn13 N1M 90.8(2) . . ?
N8M Zn13 N32P 95.4(2) . . ?
N25P Zn13 N32P 74.2(3) . . ?
O11M Zn13 N32P 92.2(2) . . ?
O22P Zn13 N32P 149.4(2) . . ?
N1M Zn13 N32P 95.0(2) . . ?
N8N Zn14 N25M 174.2(3) . . ?
N8N Zn14 O22M 107.6(2) . . ?
N25M Zn14 O22M 75.1(2) . . ?
N8N Zn14 O11N 74.8(2) . . ?
N25M Zn14 O11N 110.1(2) . . ?
O22M Zn14 O11N 98.7(2) . . ?
N8N Zn14 N32M 101.1(3) . . ?
N25M Zn14 N32M 76.0(2) . . ?
O22M Zn14 N32M 151.2(2) . . ?
O11N Zn14 N32M 90.8(3) . . ?
N8N Zn14 N1N 75.6(3) . . ?
N25M Zn14 N1N 99.6(3) . . ?
O22M Zn14 N1N 89.4(3) . . ?
O11N Zn14 N1N 150.3(2) . . ?
N32M Zn14 N1N 95.6(3) . . ?
N25N Zn15 N8O 179.4(3) . . ?
N25N Zn15 O22N 75.5(3) . . ?
N8O Zn15 O22N 103.9(3) . . ?
N25N Zn15 O11O 104.5(2) . . ?
N8O Zn15 O11O 75.8(3) . . ?
O22N Zn15 O11O 94.0(3) . . ?
N25N Zn15 N32N 76.8(3) . . ?
N8O Zn15 N32N 103.7(3) . . ?
O22N Zn15 N32N 152.4(3) . . ?
O11O Zn15 N32N 93.6(3) . . ?
N25N Zn15 N1O 105.5(3) . . ?
N8O Zn15 N1O 74.1(3) . . ?
O22N Zn15 N1O 87.8(3) . . ?
O11O Zn15 N1O 149.4(3) . . ?
N32N Zn15 N1O 98.8(4) . . ?
N25O Cu16 O22O 78.4(3) . . ?
N25O Cu16 N32O 80.7(3) . . ?
O22O Cu16 N32O 158.7(3) . . ?
N25O Cu16 N1P 142.0(3) . . ?
O22O Cu16 N1P 99.2(3) . . ?
N32O Cu16 N1P 99.7(3) . . ?
N25O Cu16 N8P 140.8(3) . . ?
O22O Cu16 N8P 97.6(3) . . ?
N32O Cu16 N8P 96.1(3) . . ?
N1P Cu16 N8P 77.2(2) . . ?
N1A C2A C3A 120.7(11) . . ?
N1A C2A H2A 119.6 . . ?
C3A C2A H2A 119.6 . . ?
C2A C3A C4A 118.0(10) . . ?
C2A C3A H3A 121.0 . . ?
C4A C3A H3A 121.0 . . ?
C5A C4A C3A 119.1(11) . . ?
C5A C4A H4A 120.4 . . ?
C3A C4A H4A 120.4 . . ?
C4A C5A C6A 121.2(12) . . ?
C4A C5A H5A 119.4 . . ?
C6A C5A H5A 119.4 . . ?
N1A C6A C5A 121.0(9) . . ?
N1A C6A C7A 115.1(7) . . ?
C5A C6A C7A 123.9(9) . . ?
N8A C7A C6A 116.2(8) . . ?
N8A C7A H7A 121.9 . . ?
C6A C7A H7A 121.9 . . ?
O11A C10A N9A 124.7(7) . . ?
O11A C10A C12A 117.1(6) . . ?
N9A C10A C12A 118.2(6) . . ?
C13A C12A C17A 118.7(6) . . ?
C13A C12A C10A 124.8(6) . . ?
C17A C12A C10A 116.5(6) . . ?
C14A C13A C12A 120.1(6) . . ?
C14A C13A H13A 120.0 . . ?
C12A C13A H13A 120.0 . . ?
C13A C14A C15A 120.3(5) . . ?
C13A C14A S18A 120.7(5) . . ?
C15A C14A S18A 119.0(5) . . ?
C16A C15A C14A 121.4(6) . . ?
C16A C15A H15A 119.3 . . ?
C14A C15A H15A 119.3 . . ?
C15A C16A C17A 118.9(6) . . ?
C15A C16A C23A 123.0(6) . . ?
C17A C16A C23A 118.1(6) . . ?
C12A C17A C16A 120.7(6) . . ?
C12A C17A H17A 119.7 . . ?
C16A C17A H17A 119.7 . . ?
O22A C23A N24A 127.1(6) . . ?
O22A C23A C16A 117.4(6) . . ?
N24A C23A C16A 115.5(6) . . ?
N25A C26A C27A 115.6(6) . . ?
N25A C26A H26A 122.2 . . ?
C27A C26A H26A 122.2 . . ?
C28A C27A N32A 121.0(7) . . ?
C28A C27A C26A 125.8(7) . . ?
N32A C27A C26A 113.0(6) . . ?
C27A C28A C29A 120.2(8) . . ?
C27A C28A H28A 119.9 . . ?
C29A C28A H28A 119.9 . . ?
C28A C29A C30A 119.0(8) . . ?
C28A C29A H29A 120.5 . . ?
C30A C29A H29A 120.5 . . ?
C31A C30A C29A 117.6(8) . . ?
C31A C30A H30A 121.2 . . ?
C29A C30A H30A 121.2 . . ?
N32A C31A C30A 124.1(7) . . ?
N32A C31A H31A 117.9 . . ?
C30A C31A H31A 117.9 . . ?
C6A N1A C2A 119.7(8) . . ?
C6A N1A Zn1 112.4(6) . . ?
C2A N1A Zn1 127.7(7) . . ?
C7A N8A N9A 123.2(7) . . ?
C7A N8A Zn1 119.6(6) . . ?
N9A N8A Zn1 117.1(5) . . ?
C10A N9A N8A 108.9(6) . . ?
C23A N24A N25A 108.3(5) . . ?
C26A N25A N24A 123.5(6) . . ?
C26A N25A Cu2 118.9(5) . . ?
N24A N25A Cu2 117.6(4) . . ?
C31A N32A C27A 118.0(6) . . ?
C31A N32A Cu2 130.3(5) . . ?
C27A N32A Cu2 111.6(4) . . ?
C10A O11A Zn1 113.1(5) . . ?
S18A O19A Na7 113.8(3) . . ?
S18A O20A Na2 152.5(4) . . ?
S18A O20A Na6 97.2(3) . . ?
Na2 O20A Na6 109.0(2) . . ?
S18A O21A Na6 96.9(3) . . ?
C23A O22A Cu2 108.2(4) . . ?
O19A S18A O20A 114.1(3) . . ?
O19A S18A O21A 113.2(4) . . ?
O20A S18A O21A 110.9(4) . . ?
O19A S18A C14A 106.2(3) . . ?
O20A S18A C14A 106.2(3) . . ?
O21A S18A C14A 105.5(3) . . ?
N1B C2B C3B 122.7(7) . . ?
N1B C2B H2B 118.7 . . ?
C3B C2B H2B 118.7 . . ?
C4B C3B C2B 119.7(7) . . ?
C4B C3B H3B 120.1 . . ?
C2B C3B H3B 120.1 . . ?
C3B C4B C5B 119.8(7) . . ?
C3B C4B H4B 120.1 . . ?
C5B C4B H4B 120.1 . . ?
C4B C5B C6B 117.4(7) . . ?
C4B C5B H5B 121.3 . . ?
C6B C5B H5B 121.3 . . ?
N1B C6B C5B 122.6(7) . . ?
N1B C6B C7B 117.4(6) . . ?
C5B C6B C7B 120.0(6) . . ?
N8B C7B C6B 116.6(6) . . ?
N8B C7B H7B 121.7 . . ?
C6B C7B H7B 121.7 . . ?
O11B C10B N9B 121.7(6) . . ?
O11B C10B C12B 121.4(6) . . ?
N9B C10B C12B 116.9(6) . . ?
C13B C12B C17B 119.5(7) . . ?
C13B C12B C10B 117.8(6) . . ?
C17B C12B C10B 122.7(6) . . ?
C14B C13B C12B 118.6(7) . . ?
C14B C13B H13B 120.7 . . ?
C12B C13B H13B 120.7 . . ?
C15B C14B C13B 122.6(6) . . ?
C15B C14B S18B 118.3(6) . . ?
C13B C14B S18B 119.1(6) . . ?
C14B C15B C16B 119.7(7) . . ?
C14B C15B H15B 120.2 . . ?
C16B C15B H15B 120.2 . . ?
C15B C16B C17B 118.9(7) . . ?
C15B C16B C23B 122.3(7) . . ?
C17B C16B C23B 118.7(6) . . ?
C12B C17B C16B 120.6(6) . . ?
C12B C17B H17B 119.7 . . ?
C16B C17B H17B 119.7 . . ?
O22B C23B N24B 128.1(8) . . ?
O22B C23B C16B 116.7(7) . . ?
N24B C23B C16B 115.2(7) . . ?
N25B C26B C27B 118.6(11) . . ?
N25B C26B H26B 120.7 . . ?
C27B C26B H26B 120.7 . . ?
N32B C27B C28B 124.6(11) . . ?
N32B C27B C26B 115.4(10) . . ?
C28B C27B C26B 119.6(12) . . ?
C29B C28B C27B 116.4(14) . . ?
C29B C28B H28B 121.8 . . ?
C27B C28B H28B 121.8 . . ?
C30B C29B C28B 120.6(14) . . ?
C30B C29B H29B 119.7 . . ?
C28B C29B H29B 119.7 . . ?
C29B C30B C31B 118.3(14) . . ?
C29B C30B H30B 120.8 . . ?
C31B C30B H30B 120.8 . . ?
N32B C31B C30B 120.8(13) . . ?
N32B C31B H31B 119.6 . . ?
C30B C31B H31B 119.6 . . ?
C2B N1B C6B 117.8(6) . . ?
C2B N1B Cu2 130.5(5) . . ?
C6B N1B Cu2 111.6(5) . . ?
C7B N8B N9B 122.9(5) . . ?
C7B N8B Cu2 116.4(5) . . ?
N9B N8B Cu2 120.6(4) . . ?
C10B N9B N8B 126.7(6) . . ?
C10B N9B H9B 116.7 . . ?
N8B N9B H9B 116.7 . . ?
C23B N24B N25B 108.7(7) . . ?
C26B N25B N24B 122.3(9) . . ?
C26B N25B Zn3 119.8(8) . . ?
N24B N25B Zn3 117.6(5) . . ?
C27B N32B C31B 118.7(10) . . ?
C27B N32B Zn3 111.8(7) . . ?
C31B N32B Zn3 129.4(9) . . ?
S18B O19B Na9B 150.8(6) . 1_545 ?
S18B O19B Na10 92.0(5) . 1_545 ?
Na9B O19B Na10 87.7(4) 1_545 1_545 ?
S18B O21B Na10 97.5(5) . 1_545 ?
C23B O22B Zn3 110.0(5) . . ?
O19B S18B O20B 115.7(7) . . ?
O19B S18B O21B 113.1(6) . . ?
O20B S18B O21B 110.9(6) . . ?
O19B S18B C14B 106.0(4) . . ?
O20B S18B C14B 105.7(4) . . ?
O21B S18B C14B 104.4(4) . . ?
N1C C2C C3C 123.4(12) . . ?
N1C C2C H2C 118.3 . . ?
C3C C2C H2C 118.3 . . ?
C4C C3C C2C 117.0(14) . . ?
C4C C3C H3C 121.5 . . ?
C2C C3C H3C 121.5 . . ?
C5C C4C C3C 119.8(13) . . ?
C5C C4C H4C 120.1 . . ?
C3C C4C H4C 120.1 . . ?
C4C C5C C6C 120.4(12) . . ?
C4C C5C H5C 119.8 . . ?
C6C C5C H5C 119.8 . . ?
N1C C6C C5C 119.9(11) . . ?
N1C C6C C7C 117.5(10) . . ?
C5C C6C C7C 122.5(10) . . ?
N8C C7C C6C 113.5(9) . . ?
N8C C7C H7C 123.2 . . ?
C6C C7C H7C 123.2 . . ?
O11C C10C N9C 126.1(10) . . ?
O11C C10C C12C 117.0(8) . . ?
N9C C10C C12C 116.8(8) . . ?
C17C C12C C13C 117.4(10) . . ?
C17C C12C C10C 119.9(8) . . ?
C13C C12C C10C 122.7(8) . . ?
C14C C13C C12C 119.2(9) . . ?
C14C C13C H13C 120.4 . . ?
C12C C13C H13C 120.4 . . ?
C13C C14C C15C 124.6(7) . . ?
C13C C14C S18C 117.5(7) . . ?
C15C C14C S18C 117.9(8) . . ?
C14C C15C C16C 115.4(9) . . ?
C14C C15C H15C 122.3 . . ?
C16C C15C H15C 122.3 . . ?
C17C C16C C15C 120.1(9) . . ?
C17C C16C C23C 120.2(7) . . ?
C15C C16C C23C 119.5(9) . . ?
C16C C17C C12C 123.3(8) . . ?
C16C C17C H17C 118.4 . . ?
C12C C17C H17C 118.4 . . ?
O22C C23C N24C 126.4(9) . . ?
O22C C23C C16C 116.2(9) . . ?
N24C C23C C16C 117.4(8) . . ?
N25C C26C C27C 115.3(9) . . ?
N25C C26C H26C 122.3 . . ?
C27C C26C H26C 122.3 . . ?
N32C C27C C28C 123.4(11) . . ?
N32C C27C C26C 117.2(8) . . ?
C28C C27C C26C 119.4(10) . . ?
C27C C28C C29C 114.7(11) . . ?
C27C C28C H28C 122.6 . . ?
C29C C28C H28C 122.6 . . ?
C30C C29C C28C 120.7(11) . . ?
C30C C29C H29C 119.6 . . ?
C28C C29C H29C 119.6 . . ?
C29C C30C C31C 123.3(13) . . ?
C29C C30C H30C 118.4 . . ?
C31C C30C H30C 118.4 . . ?
N32C C31C C30C 117.4(11) . . ?
N32C C31C H31C 121.3 . . ?
C30C C31C H31C 121.3 . . ?
C2C N1C C6C 118.9(10) . . ?
C2C N1C Zn3 128.8(8) . . ?
C6C N1C Zn3 112.2(8) . . ?
C7C N8C N9C 120.4(8) . . ?
C7C N8C Zn3 120.1(7) . . ?
N9C N8C Zn3 119.5(6) . . ?
N8C N9C C10C 108.2(8) . . ?
C23C N24C N25C 108.6(7) . . ?
C26C N25C N24C 119.5(8) . . ?
C26C N25C Zn4 122.0(8) . . ?
N24C N25C Zn4 118.4(6) . . ?
C31C N32C C27C 120.4(8) . . ?
C31C N32C Zn4 128.6(6) . . ?
C27C N32C Zn4 110.1(6) . . ?
C10C O11C Zn3 110.5(6) . . ?
S18C O20C Na6 147.1(4) . . ?
C23C O22C Zn4 111.5(6) . . ?
O19C S18C O21C 113.4(6) . . ?
O19C S18C O20C 112.5(5) . . ?
O21C S18C O20C 112.5(5) . . ?
O19C S18C C14C 107.1(5) . . ?
O21C S18C C14C 105.6(5) . . ?
O20C S18C C14C 105.0(4) . . ?
N1D C2D C3D 122.9(8) . . ?
N1D C2D H2D 118.6 . . ?
C3D C2D H2D 118.6 . . ?
C2D C3D C4D 117.0(9) . . ?
C2D C3D H3D 121.5 . . ?
C4D C3D H3D 121.5 . . ?
C5D C4D C3D 119.7(8) . . ?
C5D C4D H4D 120.1 . . ?
C3D C4D H4D 120.1 . . ?
C4D C5D C6D 119.3(8) . . ?
C4D C5D H5D 120.3 . . ?
C6D C5D H5D 120.3 . . ?
N1D C6D C5D 119.9(8) . . ?
N1D C6D C7D 117.7(7) . . ?
C5D C6D C7D 122.4(8) . . ?
N8D C7D C6D 115.8(7) . . ?
N8D C7D H7D 122.1 . . ?
C6D C7D H7D 122.1 . . ?
O11D C10D N9D 125.0(7) . . ?
O11D C10D C12D 117.3(7) . . ?
N9D C10D C12D 117.6(7) . . ?
C13D C12D C17D 119.3(7) . . ?
C13D C12D C10D 124.3(7) . . ?
C17D C12D C10D 116.1(7) . . ?
C14D C13D C12D 118.4(7) . . ?
C14D C13D H13D 120.8 . . ?
C12D C13D H13D 120.8 . . ?
C13D C14D C15D 123.2(6) . . ?
C13D C14D S18D 117.5(6) . . ?
C15D C14D S18D 119.1(6) . . ?
C14D C15D C16D 119.0(7) . . ?
C14D C15D H15D 120.5 . . ?
C16D C15D H15D 120.5 . . ?
C15D C16D C17D 118.6(7) . . ?
C15D C16D C23D 123.9(7) . . ?
C17D C16D C23D 117.3(7) . . ?
C12D C17D C16D 121.4(7) . . ?
C12D C17D H17D 119.3 . . ?
C16D C17D H17D 119.3 . . ?
O22D C23D N24D 123.2(7) . . ?
O22D C23D C16D 117.5(7) . . ?
N24D C23D C16D 119.2(7) . . ?
N25D C26D C27D 117.6(8) . . ?
N25D C26D H26D 121.2 . . ?
C27D C26D H26D 121.2 . . ?
C28D C27D N32D 120.9(9) . . ?
C28D C27D C26D 123.5(9) . . ?
N32D C27D C26D 115.6(7) . . ?
C29D C28D C27D 119.9(12) . . ?
C29D C28D H28D 120.0 . . ?
C27D C28D H28D 120.0 . . ?
C28D C29D C30D 121.1(12) . . ?
C28D C29D H29D 119.4 . . ?
C30D C29D H29D 119.4 . . ?
C29D C30D C31D 115.6(11) . . ?
C29D C30D H30D 122.2 . . ?
C31D C30D H30D 122.2 . . ?
N32D C31D C30D 125.6(13) . . ?
N32D C31D H31D 117.2 . . ?
C30D C31D H31D 117.2 . . ?
C2D N1D C6D 121.1(7) . . ?
C2D N1D Zn4 128.2(5) . . ?
C6D N1D Zn4 110.4(5) . . ?
C7D N8D N9D 121.9(6) . . ?
C7D N8D Zn4 119.0(5) . . ?
N9D N8D Zn4 119.1(5) . . ?
C10D N9D N8D 107.6(6) . . ?
N25D N24D C23D 110.2(6) . . ?
C26D N25D N24D 119.2(7) . . ?
C26D N25D Zn1 120.3(6) . . ?
N24D N25D Zn1 120.4(5) . . ?
C31D N32D C27D 116.7(9) . . ?
C31D N32D Zn1 133.5(8) . . ?
C27D N32D Zn1 109.7(5) . . ?
C10D O11D Zn4 113.1(5) . . ?
S18D O20D Na9A 138.7(4) . 1_545 ?
S18D O20D Na9B 124.5(5) . 1_545 ?
C23D O22D Zn1 111.4(5) . . ?
O20D S18D O19D 113.4(4) . . ?
O20D S18D O21D 111.9(4) . . ?
O19D S18D O21D 111.1(4) . . ?
O20D S18D C14D 106.1(4) . . ?
O19D S18D C14D 107.9(4) . . ?
O21D S18D C14D 105.8(4) . . ?
N1E C2E C3E 122.9(7) . . ?
N1E C2E H2E 118.6 . . ?
C3E C2E H2E 118.6 . . ?
C2E C3E C4E 119.9(7) . . ?
C2E C3E H3E 120.1 . . ?
C4E C3E H3E 120.1 . . ?
C3E C4E C5E 117.7(8) . . ?
C3E C4E H4E 121.1 . . ?
C5E C4E H4E 121.1 . . ?
C6E C5E C4E 118.8(7) . . ?
C6E C5E H5E 120.6 . . ?
C4E C5E H5E 120.6 . . ?
N1E C6E C5E 122.3(7) . . ?
N1E C6E C7E 116.6(6) . . ?
C5E C6E C7E 121.1(6) . . ?
N8E C7E C6E 116.0(6) . . ?
N8E C7E H7E 122.0 . . ?
C6E C7E H7E 122.0 . . ?
O11E C10E N9E 125.9(7) . . ?
O11E C10E C12E 118.2(6) . . ?
N9E C10E C12E 115.9(6) . . ?
C17E C12E C13E 117.8(7) . . ?
C17E C12E C10E 119.6(6) . . ?
C13E C12E C10E 122.6(7) . . ?
C12E C13E C14E 119.6(7) . . ?
C12E C13E H13E 120.2 . . ?
C14E C13E H13E 120.2 . . ?
C15E C14E C13E 121.8(6) . . ?
C15E C14E S18E 120.7(5) . . ?
C13E C14E S18E 117.4(5) . . ?
C14E C15E C16E 118.5(7) . . ?
C14E C15E H15E 120.8 . . ?
C16E C15E H15E 120.8 . . ?
C17E C16E C15E 119.1(7) . . ?
C17E C16E C23E 118.5(6) . . ?
C15E C16E C23E 122.4(7) . . ?
C16E C17E C12E 123.2(6) . . ?
C16E C17E H17E 118.4 . . ?
C12E C17E H17E 118.4 . . ?
O22E C23E N24E 126.0(7) . . ?
O22E C23E C16E 116.7(6) . . ?
N24E C23E C16E 117.2(6) . . ?
N25E C26E C27E 114.8(8) . . ?
N25E C26E H26E 122.6 . . ?
C27E C26E H26E 122.6 . . ?
C28E C27E N32E 123.4(10) . . ?
C28E C27E C26E 121.6(10) . . ?
N32E C27E C26E 114.9(7) . . ?
C27E C28E C29E 119.1(13) . . ?
C27E C28E H28E 120.5 . . ?
C29E C28E H28E 120.5 . . ?
C28E C29E C30E 118.1(11) . . ?
C28E C29E H29E 120.9 . . ?
C30E C29E H29E 120.9 . . ?
C31E C30E C29E 116.7(12) . . ?
C31E C30E H30E 121.7 . . ?
C29E C30E H30E 121.7 . . ?
N32E C31E C30E 126.9(12) . . ?
N32E C31E H31E 116.5 . . ?
C30E C31E H31E 116.5 . . ?
C2E N1E C6E 118.2(6) . . ?
C2E N1E Zn5 129.8(5) . . ?
C6E N1E Zn5 112.0(5) . . ?
C7E N8E N9E 121.3(5) . . ?
C7E N8E Zn5 119.0(4) . . ?
N9E N8E Zn5 119.7(4) . . ?
C10E N9E N8E 107.5(6) . . ?
C23E N24E N25E 108.7(6) . . ?
C26E N25E N24E 121.7(7) . . ?
C26E N25E Zn6 120.2(6) . . ?
N24E N25E Zn6 117.7(5) . . ?
C31E N32E C27E 115.5(8) . . ?
C31E N32E Zn6 131.1(7) . . ?
C27E N32E Zn6 113.3(6) . . ?
C10E O11E Zn5 111.7(5) . . ?
S18E O20E Na8 133.5(5) . . ?
S18E O21E Na1 153.7(4) . . ?
C23E O22E Zn6 111.7(5) . . ?
O21E S18E O20E 113.4(4) . . ?
O21E S18E O19E 113.6(4) . . ?
O20E S18E O19E 113.1(5) . . ?
O21E S18E C14E 105.3(3) . . ?
O20E S18E C14E 105.2(4) . . ?
O19E S18E C14E 105.0(4) . . ?
N1F C2F C3F 122.2(11) . . ?
N1F C2F H2F 118.9 . . ?
C3F C2F H2F 118.9 . . ?
C4F C3F C2F 117.8(12) . . ?
C4F C3F H3F 121.1 . . ?
C2F C3F H3F 121.1 . . ?
C5F C4F C3F 119.9(12) . . ?
C5F C4F H4F 120.1 . . ?
C3F C4F H4F 120.1 . . ?
C4F C5F C6F 120.8(11) . . ?
C4F C5F H5F 119.6 . . ?
C6F C5F H5F 119.6 . . ?
C5F C6F N1F 121.2(10) . . ?
C5F C6F C7F 124.2(9) . . ?
N1F C6F C7F 114.6(9) . . ?
N8F C7F C6F 119.5(9) . . ?
N8F C7F H7F 120.3 . . ?
C6F C7F H7F 120.3 . . ?
O11F C10F N9F 126.6(8) . . ?
O11F C10F C12F 116.4(7) . . ?
N9F C10F C12F 117.0(7) . . ?
C17F C12F C13F 121.0(8) . . ?
C17F C12F C10F 117.3(6) . . ?
C13F C12F C10F 121.5(8) . . ?
C12F C13F C14F 117.6(8) . . ?
C12F C13F H13F 121.2 . . ?
C14F C13F H13F 121.2 . . ?
C15F C14F C13F 122.3(7) . . ?
C15F C14F S18F 119.0(6) . . ?
C13F C14F S18F 118.5(6) . . ?
C14F C15F C16F 118.6(8) . . ?
C14F C15F H15F 120.7 . . ?
C16F C15F H15F 120.7 . . ?
C17F C16F C15F 119.0(8) . . ?
C17F C16F C23F 120.0(7) . . ?
C15F C16F C23F 120.9(8) . . ?
C16F C17F C12F 121.5(7) . . ?
C16F C17F H17F 119.3 . . ?
C12F C17F H17F 119.3 . . ?
O22F C23F N24F 125.7(8) . . ?
O22F C23F C16F 116.0(7) . . ?
N24F C23F C16F 118.3(7) . . ?
N25F C26F C27F 118.3(8) . . ?
N25F C26F H26F 120.9 . . ?
C27F C26F H26F 120.9 . . ?
C28F C27F N32F 122.9(11) . . ?
C28F C27F C26F 122.7(10) . . ?
N32F C27F C26F 114.4(8) . . ?
C27F C28F C29F 118.5(11) . . ?
C27F C28F H28F 120.8 . . ?
C29F C28F H28F 120.8 . . ?
C30F C29F C28F 115.6(11) . . ?
C30F C29F H29F 122.2 . . ?
C28F C29F H29F 122.2 . . ?
C29F C30F C31F 124.1(13) . . ?
C29F C30F H30F 117.9 . . ?
C31F C30F H30F 117.9 . . ?
N32F C31F C30F 120.3(11) . . ?
N32F C31F H31F 119.9 . . ?
C30F C31F H31F 119.9 . . ?
C2F N1F C6F 118.1(9) . . ?
C2F N1F Zn6 130.5(7) . . ?
C6F N1F Zn6 111.3(6) . . ?
C7F N8F N9F 123.2(8) . . ?
C7F N8F Zn6 119.1(7) . . ?
N9F N8F Zn6 117.7(5) . . ?
C10F N9F N8F 109.9(6) . . ?
C23F N24F N25F 109.6(7) . . ?
C26F N25F N24F 124.2(7) . . ?
C26F N25F Zn7 118.2(7) . . ?
N24F N25F Zn7 117.5(5) . . ?
C31F N32F C27F 118.6(9) . . ?
C31F N32F Zn7 129.0(7) . . ?
C27F N32F Zn7 111.8(6) . . ?
C10F O11F Zn6 110.0(5) . . ?
S18F O19F Na4 122.2(4) . 1_545 ?
S18F O19F Na11 88.3(4) . 1_545 ?
Na4 O19F Na11 77.2(3) 1_545 1_545 ?
S18F O20F Na12 104.5(5) . 1_545 ?
S18F O20F Na5 140.5(4) . 1_545 ?
Na12 O20F Na5 109.2(4) 1_545 1_545 ?
S18F O21F Na11 99.4(5) . 1_545 ?
S18F O21F Na12 88.2(5) . 1_545 ?
Na11 O21F Na12 106.3(4) 1_545 1_545 ?
C23F O22F Zn7 111.1(6) . . ?
O21F S18F O19F 113.5(5) . . ?
O21F S18F O20F 111.5(5) . . ?
O19F S18F O20F 112.5(4) . . ?
O21F S18F C14F 108.9(4) . . ?
O19F S18F C14F 104.6(4) . . ?
O20F S18F C14F 105.1(4) . . ?
N1G C2G C3G 123.0(12) . . ?
N1G C2G H2G 118.5 . . ?
C3G C2G H2G 118.5 . . ?
C4G C3G C2G 118.2(13) . . ?
C4G C3G H3G 120.9 . . ?
C2G C3G H3G 120.9 . . ?
C3G C4G C5G 118.4(11) . . ?
C3G C4G H4G 120.8 . . ?
C5G C4G H4G 120.8 . . ?
C4G C5G C6G 121.9(11) . . ?
C4G C5G H5G 119.1 . . ?
C6G C5G H5G 119.1 . . ?
N1G C6G C5G 119.9(10) . . ?
N1G C6G C7G 115.6(8) . . ?
C5G C6G C7G 124.3(10) . . ?
N8G C7G C6G 117.2(9) . . ?
N8G C7G H7G 121.4 . . ?
C6G C7G H7G 121.4 . . ?
O11G C10G N9G 124.0(8) . . ?
O11G C10G C12G 118.1(7) . . ?
N9G C10G C12G 117.9(7) . . ?
C17G C12G C13G 117.9(7) . . ?
C17G C12G C10G 116.8(7) . . ?
C13G C12G C10G 125.2(8) . . ?
C14G C13G C12G 119.4(7) . . ?
C14G C13G H13G 120.3 . . ?
C12G C13G H13G 120.3 . . ?
C13G C14G C15G 122.4(6) . . ?
C13G C14G S18G 121.5(6) . . ?
C15G C14G S18G 116.1(6) . . ?
C14G C15G C16G 118.3(7) . . ?
C14G C15G H15G 120.9 . . ?
C16G C15G H15G 120.9 . . ?
C17G C16G C15G 119.4(7) . . ?
C17G C16G C23G 119.6(6) . . ?
C15G C16G C23G 120.9(7) . . ?
C16G C17G C12G 122.5(6) . . ?
C16G C17G H17G 118.7 . . ?
C12G C17G H17G 118.7 . . ?
O22G C23G N24G 123.7(7) . . ?
O22G C23G C16G 119.2(6) . . ?
N24G C23G C16G 117.1(6) . . ?
N25G C26G C27G 115.3(6) . . ?
N25G C26G H26G 122.3 . . ?
C27G C26G H26G 122.3 . . ?
C28G C27G N32G 120.9(7) . . ?
C28G C27G C26G 125.9(6) . . ?
N32G C27G C26G 113.2(6) . . ?
C29G C28G C27G 119.9(7) . . ?
C29G C28G H28G 120.0 . . ?
C27G C28G H28G 120.0 . . ?
C28G C29G C30G 121.1(8) . . ?
C28G C29G H29G 119.5 . . ?
C30G C29G H29G 119.5 . . ?
C29G C30G C31G 115.1(8) . . ?
C29G C30G H30G 122.4 . . ?
C31G C30G H30G 122.4 . . ?
N32G C31G C30G 123.9(8) . . ?
N32G C31G H31G 118.0 . . ?
C30G C31G H31G 118.0 . . ?
C2G N1G C6G 118.2(9) . . ?
C2G N1G Zn7 128.9(7) . . ?
C6G N1G Zn7 111.5(6) . . ?
C7G N8G N9G 120.9(8) . . ?
C7G N8G Zn7 119.6(7) . . ?
N9G N8G Zn7 119.4(5) . . ?
N8G N9G C10G 108.7(7) . . ?
C23G N24G N25G 109.0(5) . . ?
C26G N25G N24G 123.7(5) . . ?
C26G N25G Cu8 118.7(5) . . ?
N24G N25G Cu8 117.6(5) . . ?
C31G N32G C27G 118.9(7) . . ?
C31G N32G Cu8 129.8(5) . . ?
C27G N32G Cu8 111.3(5) . . ?
C10G O11G Zn7 113.1(5) . . ?
S18G O19G Na1 132.8(3) . . ?
S18G O20G Na8 117.4(4) . . ?
S18G O21G Na3 137.8(4) . . ?
C23G O22G Cu8 110.2(5) . . ?
O21G S18G O20G 111.4(5) . . ?
O21G S18G O19G 115.9(4) . . ?
O20G S18G O19G 112.1(4) . . ?
O21G S18G C14G 104.9(4) . . ?
O20G S18G C14G 107.0(4) . . ?
O19G S18G C14G 104.7(3) . . ?
N1H C2H C3H 123.6(8) . . ?
N1H C2H H2H 118.2 . . ?
C3H C2H H2H 118.2 . . ?
C2H C3H C4H 119.4(8) . . ?
C2H C3H H3H 120.3 . . ?
C4H C3H H3H 120.3 . . ?
C5H C4H C3H 117.5(8) . . ?
C5H C4H H4H 121.3 . . ?
C3H C4H H4H 121.3 . . ?
C4H C5H C6H 118.5(8) . . ?
C4H C5H H5H 120.8 . . ?
C6H C5H H5H 120.8 . . ?
N1H C6H C5H 122.5(7) . . ?
N1H C6H C7H 117.3(6) . . ?
C5H C6H C7H 120.1(7) . . ?
N8H C7H C6H 117.0(6) . . ?
N8H C7H H7H 121.5 . . ?
C6H C7H H7H 121.5 . . ?
O11H C10H N9H 120.8(6) . . ?
O11H C10H C12H 123.0(6) . . ?
N9H C10H C12H 116.2(5) . . ?
C17H C12H C13H 118.3(6) . . ?
C17H C12H C10H 125.7(5) . . ?
C13H C12H C10H 116.0(5) . . ?
C14H C13H C12H 119.8(6) . . ?
C14H C13H H13H 120.1 . . ?
C12H C13H H13H 120.1 . . ?
C15H C14H C13H 121.4(5) . . ?
C15H C14H S18H 121.0(5) . . ?
C13H C14H S18H 117.6(5) . . ?
C14H C15H C16H 119.8(6) . . ?
C14H C15H H15H 120.1 . . ?
C16H C15H H15H 120.1 . . ?
C17H C16H C15H 119.2(6) . . ?
C17H C16H C23H 117.8(5) . . ?
C15H C16H C23H 122.8(6) . . ?
C16H C17H C12H 121.4(6) . . ?
C16H C17H H17H 119.3 . . ?
C12H C17H H17H 119.3 . . ?
O22H C23H N24H 124.6(6) . . ?
O22H C23H C16H 117.2(6) . . ?
N24H C23H C16H 118.1(5) . . ?
N25H C26H C27H 116.3(7) . . ?
N25H C26H H26H 121.8 . . ?
C27H C26H H26H 121.8 . . ?
N32H C27H C28H 122.1(9) . . ?
N32H C27H C26H 116.3(7) . . ?
C28H C27H C26H 121.6(9) . . ?
C27H C28H C29H 116.6(11) . . ?
C27H C28H H28H 121.7 . . ?
C29H C28H H28H 121.7 . . ?
C30H C29H C28H 120.2(11) . . ?
C30H C29H H29H 119.9 . . ?
C28H C29H H29H 119.9 . . ?
C29H C30H C31H 120.5(12) . . ?
C29H C30H H30H 119.7 . . ?
C31H C30H H30H 119.7 . . ?
N32H C31H C30H 121.9(12) . . ?
N32H C31H H31H 119.0 . . ?
C30H C31H H31H 119.0 . . ?
C2H N1H C6H 118.6(7) . . ?
C2H N1H Cu8 130.9(6) . . ?
C6H N1H Cu8 110.4(5) . . ?
C7H N8H N9H 123.7(6) . . ?
C7H N8H Cu8 117.4(5) . . ?
N9H N8H Cu8 118.9(4) . . ?
C10H N9H N8H 126.2(5) . . ?
C10H N9H H9H 116.9 . . ?
N8H N9H H9H 116.9 . . ?
C23H N24H N25H 109.8(5) . . ?
C26H N25H N24H 120.8(6) . . ?
C26H N25H Zn5 120.4(5) . . ?
N24H N25H Zn5 118.7(4) . . ?
C31H N32H C27H 118.4(8) . . ?
C31H N32H Zn5 129.3(7) . . ?
C27H N32H Zn5 111.4(5) . . ?
S18H O19H Na4 147.3(3) . 1_545 ?
S18H O19H Na11 128.9(4) . 1_545 ?
Na4 O19H Na11 80.5(2) 1_545 1_545 ?
C23H O22H Zn5 112.3(4) . . ?
O20H S18H O21H 112.9(4) . . ?
O20H S18H O19H 113.5(4) . . ?
O21H S18H O19H 113.0(4) . . ?
O20H S18H C14H 105.7(3) . . ?
O21H S18H C14H 104.3(3) . . ?
O19H S18H C14H 106.4(3) . . ?
N1I C2I C3I 118.4(13) . . ?
N1I C2I H2I 120.8 . . ?
C3I C2I H2I 120.8 . . ?
C4I C3I C2I 120.7(12) . . ?
C4I C3I H3I 119.6 . . ?
C2I C3I H3I 119.6 . . ?
C5I C4I C3I 117.8(13) . . ?
C5I C4I H4I 121.1 . . ?
C3I C4I H4I 121.1 . . ?
C4I C5I C6I 121.0(13) . . ?
C4I C5I H5I 119.5 . . ?
C6I C5I H5I 119.5 . . ?
N1I C6I C5I 122.2(10) . . ?
N1I C6I C7I 114.2(9) . . ?
C5I C6I C7I 123.5(10) . . ?
N8I C7I C6I 118.6(9) . . ?
N8I C7I H7I 120.7 . . ?
C6I C7I H7I 120.7 . . ?
O11I C10I N9I 125.9(6) . . ?
O11I C10I C12I 117.1(6) . . ?
N9I C10I C12I 116.9(6) . . ?
C13I C12I C17I 119.0(6) . . ?
C13I C12I C10I 124.8(6) . . ?
C17I C12I C10I 116.1(6) . . ?
C12I C13I C14I 118.4(6) . . ?
C12I C13I H13I 120.8 . . ?
C14I C13I H13I 120.8 . . ?
C15I C14I C13I 121.6(5) . . ?
C15I C14I S18I 119.2(5) . . ?
C13I C14I S18I 118.9(5) . . ?
C14I C15I C16I 119.4(6) . . ?
C14I C15I H15I 120.3 . . ?
C16I C15I H15I 120.3 . . ?
C17I C16I C15I 119.3(7) . . ?
C17I C16I C23I 118.7(6) . . ?
C15I C16I C23I 121.9(6) . . ?
C16I C17I C12I 122.3(6) . . ?
C16I C17I H17I 118.8 . . ?
C12I C17I H17I 118.8 . . ?
O22I C23I N24I 124.9(6) . . ?
O22I C23I C16I 115.6(6) . . ?
N24I C23I C16I 119.4(6) . . ?
N25I C26I C27I 116.4(6) . . ?
N25I C26I H26I 121.8 . . ?
C27I C26I H26I 121.8 . . ?
C28I C27I N32I 123.2(6) . . ?
C28I C27I C26I 124.0(6) . . ?
N32I C27I C26I 112.7(6) . . ?
C27I C28I C29I 117.9(7) . . ?
C27I C28I H28I 121.1 . . ?
C29I C28I H28I 121.1 . . ?
C30I C29I C28I 119.3(8) . . ?
C30I C29I H29I 120.3 . . ?
C28I C29I H29I 120.3 . . ?
C29I C30I C31I 120.9(8) . . ?
C29I C30I H30I 119.6 . . ?
C31I C30I H30I 119.6 . . ?
N32I C31I C30I 120.9(7) . . ?
N32I C31I H31I 119.5 . . ?
C30I C31I H31I 119.5 . . ?
C6I N1I C2I 119.5(9) . . ?
C6I N1I Zn9 112.3(6) . . ?
C2I N1I Zn9 127.4(8) . . ?
C7I N8I N9I 121.2(7) . . ?
C7I N8I Zn9 119.5(6) . . ?
N9I N8I Zn9 119.3(5) . . ?
C10I N9I N8I 108.9(6) . . ?
C23I N24I N25I 108.4(5) . . ?
C26I N25I N24I 125.8(6) . . ?
C26I N25I Cu10 117.6(5) . . ?
N24I N25I Cu10 116.7(4) . . ?
C31I N32I C27I 117.7(6) . . ?
C31I N32I Cu10 129.6(5) . . ?
C27I N32I Cu10 112.7(4) . . ?
C10I O11I Zn9 110.3(5) . . ?
S18I O19I Na8 126.7(4) . . ?
S18I O20I Na1 154.1(5) . . ?
S18I O20I Na3 87.4(3) . . ?
Na1 O20I Na3 113.6(2) . . ?
S18I O21I Na3 108.8(3) . . ?
C23I O22I Cu10 110.5(5) . . ?
O19I S18I O21I 112.6(4) . . ?
O19I S18I O20I 113.8(4) . . ?
O21I S18I O20I 110.8(4) . . ?
O19I S18I C14I 108.0(3) . . ?
O21I S18I C14I 105.2(3) . . ?
O20I S18I C14I 105.8(3) . . ?
N1J C2J C3J 125.3(7) . . ?
N1J C2J H2J 117.3 . . ?
C3J C2J H2J 117.3 . . ?
C2J C3J C4J 117.3(8) . . ?
C2J C3J H3J 121.3 . . ?
C4J C3J H3J 121.3 . . ?
C5J C4J C3J 118.4(7) . . ?
C5J C4J H4J 120.8 . . ?
C3J C4J H4J 120.8 . . ?
C4J C5J C6J 120.0(6) . . ?
C4J C5J H5J 120.0 . . ?
C6J C5J H5J 120.0 . . ?
C5J C6J N1J 122.2(7) . . ?
C5J C6J C7J 121.4(6) . . ?
N1J C6J C7J 116.4(6) . . ?
N8J C7J C6J 117.7(6) . . ?
N8J C7J H7J 121.1 . . ?
C6J C7J H7J 121.1 . . ?
O11J C10J N9J 120.4(7) . . ?
O11J C10J C12J 122.0(6) . . ?
N9J C10J C12J 117.6(6) . . ?
C13J C12J C17J 118.5(7) . . ?
C13J C12J C10J 118.3(6) . . ?
C17J C12J C10J 123.2(6) . . ?
C14J C13J C12J 120.2(7) . . ?
C14J C13J H13J 119.9 . . ?
C12J C13J H13J 119.9 . . ?
C13J C14J C15J 122.3(6) . . ?
C13J C14J S18J 120.0(5) . . ?
C15J C14J S18J 117.7(6) . . ?
C14J C15J C16J 118.1(7) . . ?
C14J C15J H15J 120.9 . . ?
C16J C15J H15J 120.9 . . ?
C17J C16J C15J 120.0(6) . . ?
C17J C16J C23J 117.8(6) . . ?
C15J C16J C23J 122.1(7) . . ?
C16J C17J C12J 120.9(6) . . ?
C16J C17J H17J 119.5 . . ?
C12J C17J H17J 119.5 . . ?
O22J C23J N24J 126.7(6) . . ?
O22J C23J C16J 116.5(6) . . ?
N24J C23J C16J 116.7(6) . . ?
N25J C26J C27J 117.8(7) . . ?
N25J C26J H26J 121.1 . . ?
C27J C26J H26J 121.1 . . ?
N32J C27J C28J 120.5(7) . . ?
N32J C27J C26J 116.3(7) . . ?
C28J C27J C26J 123.1(7) . . ?
C27J C28J C29J 120.3(8) . . ?
C27J C28J H28J 119.8 . . ?
C29J C28J H28J 119.8 . . ?
C28J C29J C30J 118.9(8) . . ?
C28J C29J H29J 120.6 . . ?
C30J C29J H29J 120.6 . . ?
C31J C30J C29J 116.6(8) . . ?
C31J C30J H30J 121.7 . . ?
C29J C30J H30J 121.7 . . ?
N32J C31J C30J 124.4(8) . . ?
N32J C31J H31J 117.8 . . ?
C30J C31J H31J 117.8 . . ?
C2J N1J C6J 116.8(6) . . ?
C2J N1J Cu10 131.3(4) . . ?
C6J N1J Cu10 111.9(4) . . ?
C7J N8J N9J 123.0(6) . . ?
C7J N8J Cu10 117.3(5) . . ?
N9J N8J Cu10 119.7(4) . . ?
N8J N9J C10J 127.1(6) . . ?
N8J N9J H9J 116.4 . . ?
C10J N9J H9J 116.4 . . ?
C23J N24J N25J 109.0(6) . . ?
C26J N25J N24J 120.6(6) . . ?
C26J N25J Zn11 121.2(5) . . ?
N24J N25J Zn11 118.0(5) . . ?
C31J N32J C27J 119.2(7) . . ?
C31J N32J Zn11 130.4(5) . . ?
C27J N32J Zn11 110.2(5) . . ?
S18J O19J Na10 166.9(6) . . ?
S18J O19J Na9B 97.9(5) . . ?
Na10 O19J Na9B 91.7(4) . . ?
S18J O21J Na9A 122.2(5) . . ?
S18J O21J Na9B 97.5(5) . . ?
C23J O22J Zn11 111.0(4) . . ?
O20J S18J O19J 116.8(5) . . ?
O20J S18J O21J 112.2(6) . . ?
O19J S18J O21J 109.1(5) . . ?
O20J S18J C14J 106.1(4) . . ?
O19J S18J C14J 106.9(4) . . ?
O21J S18J C14J 104.9(4) . . ?
N1K C2K C3K 122.5(8) . . ?
N1K C2K H2K 118.8 . . ?
C3K C2K H2K 118.8 . . ?
C4K C3K C2K 117.9(9) . . ?
C4K C3K H3K 121.1 . . ?
C2K C3K H3K 121.1 . . ?
C5K C4K C3K 119.8(8) . . ?
C5K C4K H4K 120.1 . . ?
C3K C4K H4K 120.1 . . ?
C6K C5K C4K 119.2(8) . . ?
C6K C5K H5K 120.4 . . ?
C4K C5K H5K 120.4 . . ?
N1K C6K C5K 121.6(7) . . ?
N1K C6K C7K 114.9(6) . . ?
C5K C6K C7K 123.5(7) . . ?
N8K C7K C6K 115.4(6) . . ?
N8K C7K H7K 122.3 . . ?
C6K C7K H7K 122.3 . . ?
O11K C10K N9K 126.4(7) . . ?
O11K C10K C12K 115.7(6) . . ?
N9K C10K C12K 117.9(6) . . ?
C17K C12K C13K 117.7(7) . . ?
C17K C12K C10K 118.4(6) . . ?
C13K C12K C10K 123.8(7) . . ?
C14K C13K C12K 119.2(7) . . ?
C14K C13K H13K 120.4 . . ?
C12K C13K H13K 120.4 . . ?
C13K C14K C15K 122.8(6) . . ?
C13K C14K S18K 120.4(6) . . ?
C15K C14K S18K 116.7(6) . . ?
C14K C15K C16K 119.1(7) . . ?
C14K C15K H15K 120.5 . . ?
C16K C15K H15K 120.5 . . ?
C17K C16K C15K 117.8(7) . . ?
C17K C16K C23K 117.8(6) . . ?
C15K C16K C23K 124.3(7) . . ?
C12K C17K C16K 123.4(6) . . ?
C12K C17K H17K 118.3 . . ?
C16K C17K H17K 118.3 . . ?
O22K C23K N24K 124.9(7) . . ?
O22K C23K C16K 117.1(7) . . ?
N24K C23K C16K 118.0(7) . . ?
N25K C26K C27K 117.8(8) . . ?
N25K C26K H26K 121.1 . . ?
C27K C26K H26K 121.1 . . ?
N32K C27K C28K 122.3(8) . . ?
N32K C27K C26K 115.2(7) . . ?
C28K C27K C26K 122.5(8) . . ?
C27K C28K C29K 119.3(9) . . ?
C27K C28K H28K 120.4 . . ?
C29K C28K H28K 120.4 . . ?
C30K C29K C28K 118.9(9) . . ?
C30K C29K H29K 120.6 . . ?
C28K C29K H29K 120.6 . . ?
C31K C30K C29K 118.3(9) . . ?
C31K C30K H30K 120.8 . . ?
C29K C30K H30K 120.8 . . ?
N32K C31K C30K 123.6(10) . . ?
N32K C31K H31K 118.2 . . ?
C30K C31K H31K 118.2 . . ?
C2K N1K C6K 119.1(7) . . ?
C2K N1K Zn11 127.8(5) . . ?
C6K N1K Zn11 113.0(5) . . ?
C7K N8K N9K 120.6(6) . . ?
C7K N8K Zn11 119.2(5) . . ?
N9K N8K Zn11 120.1(4) . . ?
C10K N9K N8K 106.9(6) . . ?
C23K N24K N25K 108.5(6) . . ?
C26K N25K N24K 122.4(7) . . ?
C26K N25K Zn12 118.7(6) . . ?
N24K N25K Zn12 118.8(5) . . ?
C31K N32K C27K 117.6(7) . . ?
C31K N32K Zn12 131.2(6) . . ?
C27K N32K Zn12 111.2(5) . . ?
C10K O11K Zn11 111.2(5) . . ?
S18K O21K Na3 148.8(4) . . ?
C23K O22K Zn12 112.6(5) . . ?
O19K S18K O20K 112.1(7) . . ?
O19K S18K O21K 113.5(6) . . ?
O20K S18K O21K 112.8(6) . . ?
O19K S18K C14K 104.9(5) . . ?
O20K S18K C14K 105.5(5) . . ?
O21K S18K C14K 107.2(4) . . ?
N1L C2L C3L 121.8(12) . . ?
N1L C2L H2L 119.1 . . ?
C3L C2L H2L 119.1 . . ?
C4L C3L C2L 118.8(12) . . ?
C4L C3L H3L 120.6 . . ?
C2L C3L H3L 120.6 . . ?
C3L C4L C5L 118.8(10) . . ?
C3L C4L H4L 120.6 . . ?
C5L C4L H4L 120.6 . . ?
C6L C5L C4L 118.3(12) . . ?
C6L C5L H5L 120.8 . . ?
C4L C5L H5L 120.8 . . ?
N1L C6L C5L 121.9(11) . . ?
N1L C6L C7L 115.5(9) . . ?
C5L C6L C7L 122.6(11) . . ?
N8L C7L C6L 117.7(10) . . ?
N8L C7L H7L 121.1 . . ?
C6L C7L H7L 121.1 . . ?
O11L C10L N9L 127.4(8) . . ?
O11L C10L C12L 117.0(8) . . ?
N9L C10L C12L 115.6(7) . . ?
C17L C12L C13L 118.0(8) . . ?
C17L C12L C10L 117.0(7) . . ?
C13L C12L C10L 124.7(9) . . ?
C14L C13L C12L 119.7(10) . . ?
C14L C13L H13L 120.1 . . ?
C12L C13L H13L 120.1 . . ?
C13L C14L C15L 123.4(8) . . ?
C13L C14L S18L 119.9(8) . . ?
C15L C14L S18L 116.7(7) . . ?
C16L C15L C14L 117.5(9) . . ?
C16L C15L H15L 121.3 . . ?
C14L C15L H15L 121.3 . . ?
C15L C16L C17L 118.6(9) . . ?
C15L C16L C23L 123.0(9) . . ?
C17L C16L C23L 118.3(8) . . ?
C12L C17L C16L 122.8(8) . . ?
C12L C17L H17L 118.6 . . ?
C16L C17L H17L 118.6 . . ?
O22L C23L N24L 126.4(9) . . ?
O22L C23L C16L 116.3(8) . . ?
N24L C23L C16L 117.2(8) . . ?
N25L C26L C27L 114.6(8) . . ?
N25L C26L H26L 122.7 . . ?
C27L C26L H26L 122.7 . . ?
N32L C27L C28L 122.9(10) . . ?
N32L C27L C26L 115.4(9) . . ?
C28L C27L C26L 121.7(9) . . ?
C29L C28L C27L 118.2(11) . . ?
C29L C28L H28L 120.9 . . ?
C27L C28L H28L 120.9 . . ?
C28L C29L C30L 117.9(12) . . ?
C28L C29L H29L 121.1 . . ?
C30L C29L H29L 121.1 . . ?
C31L C30L C29L 120.0(12) . . ?
C31L C30L H30L 120.0 . . ?
C29L C30L H30L 120.0 . . ?
N32L C31L C30L 122.9(11) . . ?
N32L C31L H31L 118.5 . . ?
C30L C31L H31L 118.5 . . ?
C2L N1L C6L 119.3(9) . . ?
C2L N1L Zn12 128.7(8) . . ?
C6L N1L Zn12 111.5(6) . . ?
C7L N8L N9L 122.1(9) . . ?
C7L N8L Zn12 118.7(7) . . ?
N9L N8L Zn12 119.1(6) . . ?
C10L N9L N8L 108.0(7) . . ?
C23L N24L N25L 107.4(7) . . ?
C26L N25L N24L 121.4(8) . . ?
C26L N25L Zn9 120.4(7) . . ?
N24L N25L Zn9 118.2(6) . . ?
C31L N32L C27L 117.9(9) . . ?
C31L N32L Zn9 129.3(7) . . ?
C27L N32L Zn9 112.6(7) . . ?
C10L O11L Zn12 110.5(6) . . ?
S18L O19L Na10 128.8(8) . . ?
C23L O22L Zn9 111.4(6) . . ?
O20L S18L O21L 121.5(10) . . ?
O20L S18L O19L 104.5(9) . . ?
O21L S18L O19L 109.0(9) . . ?
O20L S18L C14L 109.2(6) . . ?
O21L S18L C14L 106.9(6) . . ?
O19L S18L C14L 104.5(7) . . ?
N1M C2M C3M 123.9(8) . . ?
N1M C2M H2M 118.1 . . ?
C3M C2M H2M 118.1 . . ?
C2M C3M C4M 118.0(8) . . ?
C2M C3M H3M 121.0 . . ?
C4M C3M H3M 121.0 . . ?
C3M C4M C5M 119.5(8) . . ?
C3M C4M H4M 120.3 . . ?
C5M C4M H4M 120.3 . . ?
C6M C5M C4M 118.7(8) . . ?
C6M C5M H5M 120.7 . . ?
C4M C5M H5M 120.7 . . ?
N1M C6M C5M 121.5(7) . . ?
N1M C6M C7M 115.6(6) . . ?
C5M C6M C7M 122.8(7) . . ?
N8M C7M C6M 116.1(6) . . ?
N8M C7M H7M 122.0 . . ?
C6M C7M H7M 122.0 . . ?
O11M C10M N9M 125.5(6) . . ?
O11M C10M C12M 117.2(6) . . ?
N9M C10M C12M 117.2(6) . . ?
C13M C12M C17M 117.6(6) . . ?
C13M C12M C10M 123.7(6) . . ?
C17M C12M C10M 118.7(6) . . ?
C14M C13M C12M 120.7(6) . . ?
C14M C13M H13M 119.6 . . ?
C12M C13M H13M 119.6 . . ?
C13M C14M C15M 120.8(6) . . ?
C13M C14M S18M 118.4(5) . . ?
C15M C14M S18M 120.7(5) . . ?
C16M C15M C14M 119.6(6) . . ?
C16M C15M H15M 120.2 . . ?
C14M C15M H15M 120.2 . . ?
C15M C16M C17M 119.3(6) . . ?
C15M C16M C23M 124.4(6) . . ?
C17M C16M C23M 116.3(6) . . ?
C16M C17M C12M 122.0(6) . . ?
C16M C17M H17M 119.0 . . ?
C12M C17M H17M 119.0 . . ?
O22M C23M N24M 126.5(7) . . ?
O22M C23M C16M 117.9(6) . . ?
N24M C23M C16M 115.5(6) . . ?
N25M C26M C27M 114.7(7) . . ?
N25M C26M H26M 122.7 . . ?
C27M C26M H26M 122.7 . . ?
N32M C27M C28M 120.7(8) . . ?
N32M C27M C26M 117.6(8) . . ?
C28M C27M C26M 121.6(8) . . ?
C29M C28M C27M 118.0(10) . . ?
C29M C28M H28M 121.0 . . ?
C27M C28M H28M 121.0 . . ?
C30M C29M C28M 122.3(10) . . ?
C30M C29M H29M 118.8 . . ?
C28M C29M H29M 118.8 . . ?
C29M C30M C31M 117.9(10) . . ?
C29M C30M H30M 121.0 . . ?
C31M C30M H30M 121.0 . . ?
N32M C31M C30M 119.5(9) . . ?
N32M C31M H31M 120.2 . . ?
C30M C31M H31M 120.2 . . ?
C2M N1M C6M 118.4(7) . . ?
C2M N1M Zn13 129.5(5) . . ?
C6M N1M Zn13 112.1(5) . . ?
C7M N8M N9M 121.6(6) . . ?
C7M N8M Zn13 119.1(5) . . ?
N9M N8M Zn13 119.3(4) . . ?
C10M N9M N8M 108.3(5) . . ?
C23M N24M N25M 107.5(6) . . ?
C26M N25M N24M 122.3(6) . . ?
C26M N25M Zn14 119.7(5) . . ?
N24M N25M Zn14 117.9(5) . . ?
C27M N32M C31M 121.4(8) . . ?
C27M N32M Zn14 111.9(5) . . ?
C31M N32M Zn14 126.5(6) . . ?
C10M O11M Zn13 111.3(4) . . ?
S18M O20M Na7 119.5(4) . . ?
S18M O21M Na2 154.6(3) . . ?
C23M O22M Zn14 112.5(5) . . ?
O21M S18M O20M 113.0(4) . . ?
O21M S18M O19M 112.3(4) . . ?
O20M S18M O19M 112.4(5) . . ?
O21M S18M C14M 106.0(3) . . ?
O20M S18M C14M 106.0(3) . . ?
O19M S18M C14M 106.5(4) . . ?
N1N C2N C3N 120.6(10) . . ?
N1N C2N H2N 119.7 . . ?
C3N C2N H2N 119.7 . . ?
C4N C3N C2N 121.4(11) . . ?
C4N C3N H3N 119.3 . . ?
C2N C3N H3N 119.3 . . ?
C3N C4N C5N 118.7(10) . . ?
C3N C4N H4N 120.6 . . ?
C5N C4N H4N 120.6 . . ?
C6N C5N C4N 118.8(10) . . ?
C6N C5N H5N 120.6 . . ?
C4N C5N H5N 120.6 . . ?
N1N C6N C5N 120.6(8) . . ?
N1N C6N C7N 116.5(8) . . ?
C5N C6N C7N 122.9(9) . . ?
N8N C7N C6N 118.2(8) . . ?
N8N C7N H7N 120.9 . . ?
C6N C7N H7N 120.9 . . ?
O11N C10N N9N 126.0(7) . . ?
O11N C10N C12N 117.2(7) . . ?
N9N C10N C12N 116.6(6) . . ?
C17N C12N C13N 119.2(7) . . ?
C17N C12N C10N 117.9(6) . . ?
C13N C12N C10N 122.8(7) . . ?
C14N C13N C12N 119.4(7) . . ?
C14N C13N H13N 120.3 . . ?
C12N C13N H13N 120.3 . . ?
C13N C14N C15N 122.5(6) . . ?
C13N C14N S18N 118.0(6) . . ?
C15N C14N S18N 119.2(5) . . ?
C14N C15N C16N 119.7(7) . . ?
C14N C15N H15N 120.1 . . ?
C16N C15N H15N 120.1 . . ?
C17N C16N C15N 116.6(7) . . ?
C17N C16N C23N 118.1(6) . . ?
C15N C16N C23N 125.1(7) . . ?
C12N C17N C16N 122.6(7) . . ?
C12N C17N H17N 118.7 . . ?
C16N C17N H17N 118.7 . . ?
O22N C23N N24N 123.9(8) . . ?
O22N C23N C16N 118.1(7) . . ?
N24N C23N C16N 117.8(6) . . ?
N25N C26N C27N 118.0(8) . . ?
N25N C26N H26N 121.0 . . ?
C27N C26N H26N 121.0 . . ?
C28N C27N N32N 120.9(10) . . ?
C28N C27N C26N 125.4(10) . . ?
N32N C27N C26N 113.7(9) . . ?
C27N C28N C29N 123.4(14) . . ?
C27N C28N H28N 118.3 . . ?
C29N C28N H28N 118.3 . . ?
C28N C29N C30N 116.7(14) . . ?
C28N C29N H29N 121.7 . . ?
C30N C29N H29N 121.7 . . ?
C31N C30N C29N 115.5(13) . . ?
C31N C30N H30N 122.2 . . ?
C29N C30N H30N 122.2 . . ?
N32N C31N C30N 126.5(14) . . ?
N32N C31N H31N 116.7 . . ?
C30N C31N H31N 116.7 . . ?
C6N N1N C2N 119.8(8) . . ?
C6N N1N Zn14 110.4(6) . . ?
C2N N1N Zn14 129.6(7) . . ?
C7N N8N N9N 122.1(7) . . ?
C7N N8N Zn14 119.3(6) . . ?
N9N N8N Zn14 118.7(5) . . ?
C10N N9N N8N 108.8(6) . . ?
C23N N24N N25N 108.4(6) . . ?
C26N N25N N24N 122.2(7) . . ?
C26N N25N Zn15 118.9(6) . . ?
N24N N25N Zn15 118.7(5) . . ?
C31N N32N C27N 116.6(11) . . ?
C31N N32N Zn15 130.4(9) . . ?
C27N N32N Zn15 112.6(7) . . ?
C10N O11N Zn14 111.7(5) . . ?
S18N O19N Na12 122.8(5) . . ?
S18N O20N Na5 130.5(4) . . ?
S18N O20N Na4 92.7(3) . . ?
Na5 O20N Na4 92.69(19) . . ?
S18N O21N Na11 154.4(5) . . ?
S18N O21N Na4 99.3(3) . . ?
Na11 O21N Na4 84.2(3) . . ?
C23N O22N Zn15 113.1(5) . . ?
O20N S18N O21N 111.8(4) . . ?
O20N S18N O19N 115.1(4) . . ?
O21N S18N O19N 110.7(4) . . ?
O20N S18N C14N 105.6(4) . . ?
O21N S18N C14N 107.1(4) . . ?
O19N S18N C14N 106.0(3) . . ?
N1O C2O C3O 122.2(14) . . ?
N1O C2O H2O 118.9 . . ?
C3O C2O H2O 118.9 . . ?
C4O C3O C2O 118.0(15) . . ?
C4O C3O H3O 121.0 . . ?
C2O C3O H3O 121.0 . . ?
C3O C4O C5O 120.2(17) . . ?
C3O C4O H4O 119.9 . . ?
C5O C4O H4O 119.9 . . ?
C4O C5O C6O 120.0(15) . . ?
C4O C5O H5O 120.0 . . ?
C6O C5O H5O 120.0 . . ?
N1O C6O C5O 123.0(11) . . ?
N1O C6O C7O 115.0(10) . . ?
C5O C6O C7O 121.9(11) . . ?
N8O C7O C6O 116.0(10) . . ?
N8O C7O H7O 122.0 . . ?
C6O C7O H7O 122.0 . . ?
O11O C10O N9O 126.6(8) . . ?
O11O C10O C12O 115.7(8) . . ?
N9O C10O C12O 117.6(7) . . ?
C17O C12O C13O 120.0(7) . . ?
C17O C12O C10O 117.9(6) . . ?
C13O C12O C10O 122.1(8) . . ?
C14O C13O C12O 116.7(8) . . ?
C14O C13O H13O 121.7 . . ?
C12O C13O H13O 121.7 . . ?
C13O C14O C15O 123.6(6) . . ?
C13O C14O S18O 119.2(6) . . ?
C15O C14O S18O 117.2(6) . . ?
C14O C15O C16O 118.5(8) . . ?
C14O C15O H15O 120.8 . . ?
C16O C15O H15O 120.8 . . ?
C17O C16O C15O 118.5(8) . . ?
C17O C16O C23O 120.7(6) . . ?
C15O C16O C23O 120.7(8) . . ?
C16O C17O C12O 122.6(6) . . ?
C16O C17O H17O 118.7 . . ?
C12O C17O H17O 118.7 . . ?
O22O C23O N24O 122.7(8) . . ?
O22O C23O C16O 119.4(7) . . ?
N24O C23O C16O 117.9(6) . . ?
N25O C26O C27O 114.3(6) . . ?
N25O C26O H26O 122.9 . . ?
C27O C26O H26O 122.9 . . ?
C28O C27O N32O 122.0(8) . . ?
C28O C27O C26O 124.9(7) . . ?
N32O C27O C26O 113.0(7) . . ?
C27O C28O C29O 117.8(9) . . ?
C27O C28O H28O 121.1 . . ?
C29O C28O H28O 121.1 . . ?
C30O C29O C28O 119.2(10) . . ?
C30O C29O H29O 120.4 . . ?
C28O C29O H29O 120.4 . . ?
C31O C30O C29O 118.0(12) . . ?
C31O C30O H30O 121.0 . . ?
C29O C30O H30O 121.0 . . ?
N32O C31O C30O 124.0(11) . . ?
N32O C31O H31O 118.0 . . ?
C30O C31O H31O 118.0 . . ?
C6O N1O C2O 116.6(12) . . ?
C6O N1O Zn15 113.2(7) . . ?
C2O N1O Zn15 129.5(9) . . ?
C7O N8O N9O 122.1(8) . . ?
C7O N8O Zn15 121.2(7) . . ?
N9O N8O Zn15 116.5(6) . . ?
C10O N9O N8O 110.2(7) . . ?
C23O N24O N25O 108.8(6) . . ?
C26O N25O N24O 121.6(6) . . ?
C26O N25O Cu16 119.5(6) . . ?
N24O N25O Cu16 118.7(5) . . ?
C31O N32O C27O 118.8(9) . . ?
C31O N32O Cu16 128.9(7) . . ?
C27O N32O Cu16 112.2(6) . . ?
C10O O11O Zn15 110.3(6) . . ?
S18O O19O Na2 122.2(4) . . ?
S18O O19O Na7 91.1(3) . . ?
Na2 O19O Na7 95.7(2) . . ?
S18O O20O Na7 102.2(4) . . ?
S18O O21O Na6 122.7(4) . . ?
C23O O22O Cu16 110.8(6) . . ?
O19O S18O O21O 115.9(4) . . ?
O19O S18O O20O 111.7(4) . . ?
O21O S18O O20O 110.1(4) . . ?
O19O S18O C14O 106.8(4) . . ?
O21O S18O C14O 104.2(4) . . ?
O20O S18O C14O 107.5(4) . . ?
N1P C2P C3P 121.3(7) . . ?
N1P C2P H2P 119.3 . . ?
C3P C2P H2P 119.3 . . ?
C4P C3P C2P 121.1(8) . . ?
C4P C3P H3P 119.4 . . ?
C2P C3P H3P 119.4 . . ?
C3P C4P C5P 118.6(7) . . ?
C3P C4P H4P 120.7 . . ?
C5P C4P H4P 120.7 . . ?
C6P C5P C4P 117.8(7) . . ?
C6P C5P H5P 121.1 . . ?
C4P C5P H5P 121.1 . . ?
N1P C6P C5P 122.8(7) . . ?
N1P C6P C7P 116.5(6) . . ?
C5P C6P C7P 120.7(6) . . ?
N8P C7P C6P 119.9(6) . . ?
N8P C7P H7P 120.1 . . ?
C6P C7P H7P 120.1 . . ?
O11P C10P N9P 121.7(7) . . ?
O11P C10P C12P 121.5(6) . . ?
N9P C10P C12P 116.8(6) . . ?
C17P C12P C13P 118.8(7) . . ?
C17P C12P C10P 125.5(6) . . ?
C13P C12P C10P 115.6(6) . . ?
C14P C13P C12P 118.8(7) . . ?
C14P C13P H13P 120.6 . . ?
C12P C13P H13P 120.6 . . ?
C13P C14P C15P 122.3(6) . . ?
C13P C14P S18P 118.9(6) . . ?
C15P C14P S18P 118.8(7) . . ?
C14P C15P C16P 118.6(8) . . ?
C14P C15P H15P 120.7 . . ?
C16P C15P H15P 120.7 . . ?
C17P C16P C15P 118.6(7) . . ?
C17P C16P C23P 119.4(6) . . ?
C15P C16P C23P 121.9(7) . . ?
C12P C17P C16P 122.8(6) . . ?
C12P C17P H17P 118.6 . . ?
C16P C17P H17P 118.6 . . ?
O22P C23P N24P 126.5(7) . . ?
O22P C23P C16P 117.9(6) . . ?
N24P C23P C16P 115.6(6) . . ?
N25P C26P C27P 119.8(8) . . ?
N25P C26P H26P 120.1 . . ?
C27P C26P H26P 120.1 . . ?
C28P C27P N32P 121.4(9) . . ?
C28P C27P C26P 124.0(9) . . ?
N32P C27P C26P 114.2(7) . . ?
C27P C28P C29P 119.7(10) . . ?
C27P C28P H28P 120.2 . . ?
C29P C28P H28P 120.2 . . ?
C30P C29P C28P 118.8(10) . . ?
C30P C29P H29P 120.6 . . ?
C28P C29P H29P 120.6 . . ?
C29P C30P C31P 120.9(10) . . ?
C29P C30P H30P 119.5 . . ?
C31P C30P H30P 119.5 . . ?
N32P C31P C30P 120.1(9) . . ?
N32P C31P H31P 119.9 . . ?
C30P C31P H31P 119.9 . . ?
C2P N1P C6P 118.3(6) . . ?
C2P N1P Cu16 125.4(5) . . ?
C6P N1P Cu16 116.3(5) . . ?
C7P N8P N9P 120.9(6) . . ?
C7P N8P Cu16 109.6(5) . . ?
N9P N8P Cu16 128.9(5) . . ?
N8P N9P C10P 128.3(7) . . ?
N8P N9P H9P 115.9 . . ?
C10P N9P H9P 115.9 . . ?
C23P N24P N25P 109.4(6) . . ?
C26P N25P N24P 121.1(7) . . ?
C26P N25P Zn13 120.4(6) . . ?
N24P N25P Zn13 118.5(4) . . ?
C31P N32P C27P 118.7(7) . . ?
C31P N32P Zn13 130.0(6) . . ?
C27P N32P Zn13 111.0(6) . . ?
S18P O19P Na12 157.8(9) . . ?
C23P O22P Zn13 110.3(5) . . ?
O19P S18P O20P 119.1(9) . . ?
O19P S18P O21P 109.4(8) . . ?
O20P S18P O21P 109.1(9) . . ?
O19P S18P C14P 105.2(5) . . ?
O20P S18P C14P 107.2(5) . . ?
O21P S18P C14P 106.0(5) . . ?
O21E Na1 O20I 92.6(2) . . ?
O21E Na1 O19G 90.6(2) . . ?
O20I Na1 O19G 85.4(2) . . ?
O21E Na1 O5 173.5(3) . . ?
O20I Na1 O5 90.3(3) . . ?
O19G Na1 O5 95.4(2) . . ?
O21E Na1 O1 93.4(2) . . ?
O20I Na1 O1 94.5(2) . . ?
O19G Na1 O1 176.0(2) . . ?
O5 Na1 O1 80.6(2) . . ?
O21E Na1 O2 98.6(2) . . ?
O20I Na1 O2 168.8(3) . . ?
O19G Na1 O2 93.9(2) . . ?
O5 Na1 O2 78.5(2) . . ?
O1 Na1 O2 85.38(18) . . ?
O21M Na2 O20A 92.9(2) . . ?
O21M Na2 O2 97.1(2) . . ?
O20A Na2 O2 100.8(2) . . ?
O21M Na2 O19O 87.3(2) . . ?
O20A Na2 O19O 84.2(2) . . ?
O2 Na2 O19O 173.1(2) . . ?
O21M Na2 O1 100.5(2) . . ?
O20A Na2 O1 162.8(2) . . ?
O2 Na2 O1 88.32(18) . . ?
O19O Na2 O1 85.6(2) . . ?
O21M Na2 O5 175.5(2) . . ?
O20A Na2 O5 89.8(2) . . ?
O2 Na2 O5 78.9(2) . . ?
O19O Na2 O5 96.6(2) . . ?
O1 Na2 O5 77.64(19) . . ?
O21G Na3 O3 126.2(3) . . ?
O21G Na3 O1T 90.6(3) . . ?
O3 Na3 O1T 81.2(3) . . ?
O21G Na3 O21K 108.0(3) . . ?
O3 Na3 O21K 122.6(2) . . ?
O1T Na3 O21K 80.6(3) . . ?
O21G Na3 O21I 111.5(3) . . ?
O3 Na3 O21I 94.4(2) . . ?
O1T Na3 O21I 154.7(3) . . ?
O21K Na3 O21I 80.9(2) . . ?
O21G Na3 O20I 79.3(2) . . ?
O3 Na3 O20I 81.5(2) . . ?
O1T Na3 O20I 149.0(3) . . ?
O21K Na3 O20I 130.3(2) . . ?
O21I Na3 O20I 52.32(17) . . ?
O10 Na4 O19F 160.0(3) . 1_565 ?
O10 Na4 O4 89.8(3) . . ?
O19F Na4 O4 83.8(3) 1_565 . ?
O10 Na4 O19H 92.4(3) . 1_565 ?
O19F Na4 O19H 81.7(3) 1_565 1_565 ?
O4 Na4 O19H 143.4(2) . 1_565 ?
O10 Na4 O21N 109.2(3) . . ?
O19F Na4 O21N 89.6(3) 1_565 . ?
O4 Na4 O21N 127.1(2) . . ?
O19H Na4 O21N 86.3(2) 1_565 . ?
O10 Na4 O20N 90.8(3) . . ?
O19F Na4 O20N 105.8(2) 1_565 . ?
O4 Na4 O20N 75.5(2) . . ?
O19H Na4 O20N 141.0(2) 1_565 . ?
O21N Na4 O20N 56.13(18) . . ?
O20N Na5 O28 87.6(4) . . ?
O20N Na5 O9 177.7(3) . . ?
O28 Na5 O9 90.3(4) . . ?
O20N Na5 O20F 84.6(2) . 1_565 ?
O28 Na5 O20F 92.2(7) . 1_565 ?
O9 Na5 O20F 96.5(3) . 1_565 ?
O20N Na5 O4 80.5(2) . . ?
O28 Na5 O4 167.6(4) . . ?
O9 Na5 O4 101.5(3) . . ?
O20F Na5 O4 90.0(2) 1_565 . ?
O20N Na5 O13 91.4(3) . . ?
O28 Na5 O13 94.1(8) . . ?
O9 Na5 O13 87.8(3) . . ?
O20F Na5 O13 172.4(3) 1_565 . ?
O4 Na5 O13 83.0(3) . . ?
O20C Na6 O21O 100.8(3) . . ?
O20C Na6 O8 126.6(3) . . ?
O21O Na6 O8 115.4(3) . . ?
O20C Na6 O21A 85.1(3) . . ?
O21O Na6 O21A 124.1(3) . . ?
O8 Na6 O21A 103.2(2) . . ?
O20C Na6 O20A 132.0(3) . . ?
O21O Na6 O20A 85.0(2) . . ?
O8 Na6 O20A 90.8(2) . . ?
O21A Na6 O20A 54.55(17) . . ?
O20C Na6 O21 84.7(4) . . ?
O21O Na6 O21 80.0(3) . . ?
O8 Na6 O21 65.8(3) . . ?
O21A Na6 O21 155.3(3) . . ?
O20A Na6 O21 142.6(3) . . ?
O11 Na7 O20M 88.8(3) . . ?
O11 Na7 O19A 135.5(3) . . ?
O20M Na7 O19A 97.7(3) . . ?
O11 Na7 O20O 89.9(3) . . ?
O20M Na7 O20O 153.6(3) . . ?
O19A Na7 O20O 101.6(3) . . ?
O11 Na7 O19O 108.7(3) . . ?
O20M Na7 O19O 101.2(3) . . ?
O19A Na7 O19O 113.0(2) . . ?
O20O Na7 O19O 54.6(2) . . ?
O22 Na8 O20E 89.1(4) . . ?
O22 Na8 O20G 82.8(4) . . ?
O20E Na8 O20G 132.2(4) . . ?
O22 Na8 O19I 166.8(5) . . ?
O20E Na8 O19I 94.7(3) . . ?
O20G Na8 O19I 103.6(3) . . ?
O22 Na8 O36 89.9(7) . . ?
O20E Na8 O36 135.0(7) . . ?
O20G Na8 O36 92.2(7) . . ?
O19I Na8 O36 78.5(7) . . ?
O21J Na9A O20D 171.8(5) . 1_565 ?
O21J Na9A O99A 90.0(7) . . ?
O20D Na9A O99A 98.2(7) 1_565 . ?
O21J Na9A O15 94.0(4) . . ?
O20D Na9A O15 82.7(3) 1_565 . ?
O99A Na9A O15 109.7(8) . . ?
O21J Na9A O7 98.2(3) . . ?
O20D Na9A O7 80.8(3) 1_565 . ?
O99A Na9A O7 101.9(7) . . ?
O15 Na9A O7 146.0(4) . . ?
O15 Na9B O20D 89.7(5) . 1_565 ?
O15 Na9B O19B 77.8(5) . 1_565 ?
O20D Na9B O19B 99.4(4) 1_565 1_565 ?
O15 Na9B O19J 113.0(5) . . ?
O20D Na9B O19J 156.8(6) 1_565 . ?
O19B Na9B O19J 82.0(4) 1_565 . ?
O15 Na9B O21J 93.1(5) . . ?
O20D Na9B O21J 132.0(5) 1_565 . ?
O19B Na9B O21J 128.0(5) 1_565 . ?
O19J Na9B O21J 54.6(3) . . ?
O15 Na9B O7 158.1(6) . . ?
O20D Na9B O7 75.7(4) 1_565 . ?
O19B Na9B O7 120.2(5) 1_565 . ?
O19J Na9B O7 83.5(4) . . ?
O21J Na9B O7 85.0(3) . . ?
O15 Na9B O13 141.4(5) . . ?
O20D Na9B O13 92.1(4) 1_565 . ?
O19B Na9B O13 63.9(4) 1_565 . ?
O19J Na9B O13 67.6(4) . . ?
O21J Na9B O13 113.5(4) . . ?
O7 Na9B O13 56.9(3) . . ?
O19L Na10 O13 120.6(6) . . ?
O19L Na10 O19J 103.3(5) . . ?
O13 Na10 O19J 86.0(4) . . ?
O19L Na10 O21B 104.4(5) . 1_565 ?
O13 Na10 O21B 123.4(4) . 1_565 ?
O19J Na10 O21B 116.5(4) . 1_565 ?
O19L Na10 O19B 161.7(5) . 1_565 ?
O13 Na10 O19B 75.4(4) . 1_565 ?
O19J Na10 O19B 85.8(4) . 1_565 ?
O21B Na10 O19B 57.3(3) 1_565 1_565 ?
O29 Na11 O21N 168.7(6) . . ?
O29 Na11 O38 124.3(7) . 1_565 ?
O21N Na11 O38 64.7(5) . 1_565 ?
O29 Na11 O21F 89.0(5) . 1_565 ?
O21N Na11 O21F 92.4(4) . 1_565 ?
O38 Na11 O21F 53.5(5) 1_565 1_565 ?
O29 Na11 O19H 86.0(4) . 1_565 ?
O21N Na11 O19H 83.9(3) . 1_565 ?
O38 Na11 O19H 147.2(6) 1_565 1_565 ?
O21F Na11 O19H 123.3(4) 1_565 1_565 ?
O29 Na11 O19F 90.2(6) . 1_565 ?
O21N Na11 O19F 81.7(3) . 1_565 ?
O38 Na11 O19F 94.9(5) 1_565 1_565 ?
O21F Na11 O19F 53.2(2) 1_565 1_565 ?
O19H Na11 O19F 70.4(3) 1_565 1_565 ?
O19P Na12 O38 76.4(8) . 1_565 ?
O19P Na12 O19N 113.1(7) . . ?
O38 Na12 O19N 71.2(7) 1_565 . ?
O19P Na12 O20F 147.7(7) . 1_565 ?
O38 Na12 O20F 94.3(7) 1_565 1_565 ?
O19N Na12 O20F 92.1(5) . 1_565 ?
O19P Na12 O21F 96.2(6) . 1_565 ?
O38 Na12 O21F 52.6(6) 1_565 1_565 ?
O19N Na12 O21F 107.0(5) . 1_565 ?
O20F Na12 O21F 55.7(3) 1_565 1_565 ?
Na1 O1 Na2 82.15(17) . . ?
Na2 O2 Na1 82.00(18) . . ?
Na4 O4 Na5 96.3(2) . . ?
Na1 O5 Na2 81.4(2) . . ?
Na10 O13 Na5 101.7(5) . . ?
Na10 O13 Na9B 82.3(4) . . ?
Na5 O13 Na9B 173.8(5) . . ?
Na12 O38 Na11 127.1(10) 1_545 1_545 ?
O1S C1S N1S 121.3(13) . . ?
O1S C1S H1S 119.3 . . ?
N1S C1S H1S 119.3 . . ?
N1S C2S H2S1 109.5 . . ?
N1S C2S H2S2 109.5 . . ?
H2S1 C2S H2S2 109.5 . . ?
N1S C2S H2S3 109.5 . . ?
H2S1 C2S H2S3 109.5 . . ?
H2S2 C2S H2S3 109.5 . . ?
N1S C3S H3S1 109.5 . . ?
N1S C3S H3S2 109.5 . . ?
H3S1 C3S H3S2 109.5 . . ?
N1S C3S H3S3 109.5 . . ?
H3S1 C3S H3S3 109.5 . . ?
H3S2 C3S H3S3 109.5 . . ?
C1S N1S C2S 124.0(9) . . ?
C1S N1S C3S 119.8(10) . . ?
C2S N1S C3S 115.3(10) . . ?
O1T C1T N1T 124.9(13) . . ?
O1T C1T H1T 117.6 . . ?
N1T C1T H1T 117.6 . . ?
N1T C2T H2T1 109.5 . . ?
N1T C2T H2T2 109.5 . . ?
H2T1 C2T H2T2 109.5 . . ?
N1T C2T H2T3 109.5 . . ?
H2T1 C2T H2T3 109.5 . . ?
H2T2 C2T H2T3 109.5 . . ?
N1T C3T H3T1 109.5 . . ?
N1T C3T H3T2 109.5 . . ?
H3T1 C3T H3T2 109.5 . . ?
N1T C3T H3T3 109.5 . . ?
H3T1 C3T H3T3 109.5 . . ?
H3T2 C3T H3T3 109.5 . . ?
C1T N1T C2T 123.4(12) . . ?
C1T N1T C3T 121.4(13) . . ?
C2T N1T C3T 114.7(13) . . ?
C1T O1T Na3 114.0(9) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1A C2A C3A C4A -3.7(18) . . . . ?
C2A C3A C4A C5A 6(2) . . . . ?
C3A C4A C5A C6A -4(2) . . . . ?
C4A C5A C6A N1A 0(2) . . . . ?
C4A C5A C6A C7A 178.6(13) . . . . ?
N1A C6A C7A N8A 0.6(13) . . . . ?
C5A C6A C7A N8A -177.8(10) . . . . ?
O11A C10A C12A C13A 178.9(7) . . . . ?
N9A C10A C12A C13A 0.0(11) . . . . ?
O11A C10A C12A C17A -0.8(10) . . . . ?
N9A C10A C12A C17A -179.6(6) . . . . ?
C17A C12A C13A C14A 1.7(10) . . . . ?
C10A C12A C13A C14A -177.9(7) . . . . ?
C12A C13A C14A C15A -1.1(10) . . . . ?
C12A C13A C14A S18A 174.8(5) . . . . ?
C13A C14A C15A C16A 0.6(10) . . . . ?
S18A C14A C15A C16A -175.3(5) . . . . ?
C14A C15A C16A C17A -0.8(9) . . . . ?
C14A C15A C16A C23A 178.1(6) . . . . ?
C13A C12A C17A C16A -1.9(10) . . . . ?
C10A C12A C17A C16A 177.7(6) . . . . ?
C15A C16A C17A C12A 1.5(9) . . . . ?
C23A C16A C17A C12A -177.5(6) . . . . ?
C15A C16A C23A O22A -156.5(6) . . . . ?
C17A C16A C23A O22A 22.4(9) . . . . ?
C15A C16A C23A N24A 21.1(9) . . . . ?
C17A C16A C23A N24A -160.0(6) . . . . ?
N25A C26A C27A C28A 178.7(7) . . . . ?
N25A C26A C27A N32A 3.5(9) . . . . ?
N32A C27A C28A C29A 1.3(12) . . . . ?
C26A C27A C28A C29A -173.6(8) . . . . ?
C27A C28A C29A C30A -0.9(13) . . . . ?
C28A C29A C30A C31A 0.1(14) . . . . ?
C29A C30A C31A N32A 0.3(14) . . . . ?
C5A C6A N1A C2A 2.4(15) . . . . ?
C7A C6A N1A C2A -176.2(9) . . . . ?
C5A C6A N1A Zn1 178.2(9) . . . . ?
C7A C6A N1A Zn1 -0.3(10) . . . . ?
C3A C2A N1A C6A -0.5(15) . . . . ?
C3A C2A N1A Zn1 -175.6(8) . . . . ?
C6A C7A N8A N9A 177.1(7) . . . . ?
C6A C7A N8A Zn1 -0.7(11) . . . . ?
O11A C10A N9A N8A -4.0(10) . . . . ?
C12A C10A N9A N8A 174.8(6) . . . . ?
C7A N8A N9A C10A -178.7(8) . . . . ?
Zn1 N8A N9A C10A -0.9(8) . . . . ?
O22A C23A N24A N25A -2.9(9) . . . . ?
C16A C23A N24A N25A 179.8(5) . . . . ?
C27A C26A N25A N24A -174.2(6) . . . . ?
C27A C26A N25A Cu2 3.6(9) . . . . ?
C23A N24A N25A C26A 177.7(6) . . . . ?
C23A N24A N25A Cu2 -0.2(7) . . . . ?
C30A C31A N32A C27A 0.1(12) . . . . ?
C30A C31A N32A Cu2 -176.4(6) . . . . ?
C28A C27A N32A C31A -0.9(11) . . . . ?
C26A C27A N32A C31A 174.6(7) . . . . ?
C28A C27A N32A Cu2 176.3(6) . . . . ?
C26A C27A N32A Cu2 -8.2(8) . . . . ?
N9A C10A O11A Zn1 6.7(10) . . . . ?
C12A C10A O11A Zn1 -172.1(5) . . . . ?
N24A C23A O22A Cu2 4.3(8) . . . . ?
C16A C23A O22A Cu2 -178.5(4) . . . . ?
Na7 O19A S18A O20A 25.0(5) . . . . ?
Na7 O19A S18A O21A -103.0(4) . . . . ?
Na7 O19A S18A C14A 141.6(3) . . . . ?
Na7 O19A S18A Na6 -39.3(5) . . . . ?
Na2 O20A S18A O19A 40.2(8) . . . . ?
Na6 O20A S18A O19A -122.5(3) . . . . ?
Na2 O20A S18A O21A 169.4(6) . . . . ?
Na6 O20A S18A O21A 6.7(3) . . . . ?
Na2 O20A S18A C14A -76.4(7) . . . . ?
Na6 O20A S18A C14A 120.8(3) . . . . ?
Na2 O20A S18A Na6 162.7(8) . . . . ?
Na2 O20A S18A Na7 57.4(6) . . . . ?
Na6 O20A S18A Na7 -105.33(19) . . . . ?
Na6 O21A S18A O19A 123.0(3) . . . . ?
Na6 O21A S18A O20A -6.7(3) . . . . ?
Na6 O21A S18A C14A -121.2(3) . . . . ?
Na6 O21A S18A Na7 76.3(3) . . . . ?
C13A C14A S18A O19A 44.0(6) . . . . ?
C15A C14A S18A O19A -140.1(5) . . . . ?
C13A C14A S18A O20A 165.8(6) . . . . ?
C15A C14A S18A O20A -18.3(6) . . . . ?
C13A C14A S18A O21A -76.4(6) . . . . ?
C15A C14A S18A O21A 99.5(6) . . . . ?
C13A C14A S18A Na6 -135.1(5) . . . . ?
C15A C14A S18A Na6 40.8(6) . . . . ?
C13A C14A S18A Na7 80.8(6) . . . . ?
C15A C14A S18A Na7 -103.3(5) . . . . ?
N1B C2B C3B C4B -0.8(12) . . . . ?
C2B C3B C4B C5B 0.6(13) . . . . ?
C3B C4B C5B C6B 0.6(12) . . . . ?
C4B C5B C6B N1B -1.7(11) . . . . ?
C4B C5B C6B C7B -179.2(7) . . . . ?
N1B C6B C7B N8B -2.6(9) . . . . ?
C5B C6B C7B N8B 174.9(6) . . . . ?
O11B C10B C12B C13B 6.9(10) . . . . ?
N9B C10B C12B C13B -172.4(6) . . . . ?
O11B C10B C12B C17B -174.6(7) . . . . ?
N9B C10B C12B C17B 6.1(10) . . . . ?
C17B C12B C13B C14B 2.5(11) . . . . ?
C10B C12B C13B C14B -178.9(7) . . . . ?
C12B C13B C14B C15B 0.0(12) . . . . ?
C12B C13B C14B S18B 179.9(6) . . . . ?
C13B C14B C15B C16B -0.7(13) . . . . ?
S18B C14B C15B C16B 179.3(6) . . . . ?
C14B C15B C16B C17B -1.0(12) . . . . ?
C14B C15B C16B C23B -178.4(8) . . . . ?
C13B C12B C17B C16B -4.3(11) . . . . ?
C10B C12B C17B C16B 177.2(7) . . . . ?
C15B C16B C17B C12B 3.6(11) . . . . ?
C23B C16B C17B C12B -179.0(7) . . . . ?
C15B C16B C23B O22B 174.8(8) . . . . ?
C17B C16B C23B O22B -2.6(12) . . . . ?
C15B C16B C23B N24B -5.9(12) . . . . ?
C17B C16B C23B N24B 176.8(8) . . . . ?
N25B C26B C27B N32B -3(2) . . . . ?
N25B C26B C27B C28B 170.0(16) . . . . ?
N32B C27B C28B C29B -9(3) . . . . ?
C26B C27B C28B C29B 178.7(18) . . . . ?
C27B C28B C29B C30B 8(3) . . . . ?
C28B C29B C30B C31B -3(4) . . . . ?
C29B C30B C31B N32B -2(4) . . . . ?
C3B C2B N1B C6B -0.2(10) . . . . ?
C3B C2B N1B Cu2 179.6(5) . . . . ?
C5B C6B N1B C2B 1.5(10) . . . . ?
C7B C6B N1B C2B 179.0(6) . . . . ?
C5B C6B N1B Cu2 -178.3(5) . . . . ?
C7B C6B N1B Cu2 -0.9(7) . . . . ?
C6B C7B N8B N9B -179.5(6) . . . . ?
C6B C7B N8B Cu2 4.9(7) . . . . ?
O11B C10B N9B N8B 0.0(11) . . . . ?
C12B C10B N9B N8B 179.3(6) . . . . ?
C7B N8B N9B C10B -2.5(10) . . . . ?
Cu2 N8B N9B C10B 172.9(5) . . . . ?
O22B C23B N24B N25B 1.1(14) . . . . ?
C16B C23B N24B N25B -178.1(8) . . . . ?
C27B C26B N25B N24B -179.6(12) . . . . ?
C27B C26B N25B Zn3 6.7(19) . . . . ?
C23B N24B N25B C26B -177.8(12) . . . . ?
C23B N24B N25B Zn3 -3.9(11) . . . . ?
C28B C27B N32B C31B 3(3) . . . . ?
C26B C27B N32B C31B 176.3(16) . . . . ?
C28B C27B N32B Zn3 -174.1(15) . . . . ?
C26B C27B N32B Zn3 -1.1(18) . . . . ?
C30B C31B N32B C27B 2(3) . . . . ?
C30B C31B N32B Zn3 179.2(16) . . . . ?
N24B C23B O22B Zn3 2.0(12) . . . . ?
C16B C23B O22B Zn3 -178.8(6) . . . . ?
Na9B O19B S18B O20B 37.5(16) 1_545 . . . ?
Na10 O19B S18B O20B 126.4(5) 1_545 . . . ?
Na9B O19B S18B O21B -92.0(15) 1_545 . . . ?
Na10 O19B S18B O21B -3.1(5) 1_545 . . . ?
Na9B O19B S18B C14B 154.3(13) 1_545 . . . ?
Na10 O19B S18B C14B -116.8(4) 1_545 . . . ?
Na9B O19B S18B Na10 -88.9(13) 1_545 . . 1_545 ?
Na10 O21B S18B O19B 3.3(6) 1_545 . . . ?
Na10 O21B S18B O20B -128.6(5) 1_545 . . . ?
Na10 O21B S18B C14B 118.0(4) 1_545 . . . ?
C15B C14B S18B O19B -132.7(8) . . . . ?
C13B C14B S18B O19B 47.4(8) . . . . ?
C15B C14B S18B O20B -9.4(9) . . . . ?
C13B C14B S18B O20B 170.7(8) . . . . ?
C15B C14B S18B O21B 107.7(8) . . . . ?
C13B C14B S18B O21B -72.3(8) . . . . ?
C15B C14B S18B Na10 163.6(6) . . . 1_545 ?
C13B C14B S18B Na10 -16.3(8) . . . 1_545 ?
N1C C2C C3C C4C -4(2) . . . . ?
C2C C3C C4C C5C 8(2) . . . . ?
C3C C4C C5C C6C -8(2) . . . . ?
C4C C5C C6C N1C 2.5(17) . . . . ?
C4C C5C C6C C7C -176.8(11) . . . . ?
N1C C6C C7C N8C -0.3(13) . . . . ?
C5C C6C C7C N8C 179.1(9) . . . . ?
O11C C10C C12C C17C 16.4(12) . . . . ?
N9C C10C C12C C17C -161.3(8) . . . . ?
O11C C10C C12C C13C -164.7(8) . . . . ?
N9C C10C C12C C13C 17.6(12) . . . . ?
C17C C12C C13C C14C 1.0(12) . . . . ?
C10C C12C C13C C14C -178.0(8) . . . . ?
C12C C13C C14C C15C 0.5(14) . . . . ?
C12C C13C C14C S18C -177.7(7) . . . . ?
C13C C14C C15C C16C -1.9(13) . . . . ?
S18C C14C C15C C16C 176.3(6) . . . . ?
C14C C15C C16C C17C 1.9(12) . . . . ?
C14C C15C C16C C23C 178.0(8) . . . . ?
C15C C16C C17C C12C -0.6(13) . . . . ?
C23C C16C C17C C12C -176.6(8) . . . . ?
C13C C12C C17C C16C -0.9(12) . . . . ?
C10C C12C C17C C16C 178.0(8) . . . . ?
C17C C16C C23C O22C -3.1(12) . . . . ?
C15C C16C C23C O22C -179.1(8) . . . . ?
C17C C16C C23C N24C 178.6(8) . . . . ?
C15C C16C C23C N24C 2.5(12) . . . . ?
N25C C26C C27C N32C -4.8(14) . . . . ?
N25C C26C C27C C28C 172.9(10) . . . . ?
N32C C27C C28C C29C 2.9(16) . . . . ?
C26C C27C C28C C29C -174.8(10) . . . . ?
C27C C28C C29C C30C -0.7(19) . . . . ?
C28C C29C C30C C31C 0(2) . . . . ?
C29C C30C C31C N32C -1(2) . . . . ?
C3C C2C N1C C6C -0.7(18) . . . . ?
C3C C2C N1C Zn3 177.2(10) . . . . ?
C5C C6C N1C C2C 1.6(15) . . . . ?
C7C C6C N1C C2C -179.0(10) . . . . ?
C5C C6C N1C Zn3 -176.6(8) . . . . ?
C7C C6C N1C Zn3 2.7(11) . . . . ?
C6C C7C N8C N9C 179.4(8) . . . . ?
C6C C7C N8C Zn3 -2.7(11) . . . . ?
C7C N8C N9C C10C -178.1(8) . . . . ?
Zn3 N8C N9C C10C 4.0(9) . . . . ?
O11C C10C N9C N8C -0.1(12) . . . . ?
C12C C10C N9C N8C 177.3(7) . . . . ?
O22C C23C N24C N25C 3.3(12) . . . . ?
C16C C23C N24C N25C -178.6(7) . . . . ?
C27C C26C N25C N24C 179.6(8) . . . . ?
C27C C26C N25C Zn4 4.0(12) . . . . ?
C23C N24C N25C C26C 178.3(8) . . . . ?
C23C N24C N25C Zn4 -6.1(8) . . . . ?
C30C C31C N32C C27C 2.8(15) . . . . ?
C30C C31C N32C Zn4 171.3(8) . . . . ?
C28C C27C N32C C31C -4.0(15) . . . . ?
C26C C27C N32C C31C 173.6(10) . . . . ?
C28C C27C N32C Zn4 -174.4(9) . . . . ?
C26C C27C N32C Zn4 3.2(10) . . . . ?
N9C C10C O11C Zn3 -3.4(11) . . . . ?
C12C C10C O11C Zn3 179.1(5) . . . . ?
N24C C23C O22C Zn4 0.8(11) . . . . ?
C16C C23C O22C Zn4 -177.4(6) . . . . ?
Na6 O20C S18C O19C 104.8(11) . . . . ?
Na6 O20C S18C O21C -125.7(10) . . . . ?
Na6 O20C S18C C14C -11.3(13) . . . . ?
C13C C14C S18C O19C -168.7(8) . . . . ?
C15C C14C S18C O19C 12.9(9) . . . . ?
C13C C14C S18C O21C 70.1(9) . . . . ?
C15C C14C S18C O21C -108.2(8) . . . . ?
C13C C14C S18C O20C -49.0(9) . . . . ?
C15C C14C S18C O20C 132.7(8) . . . . ?
N1D C2D C3D C4D -1.9(17) . . . . ?
C2D C3D C4D C5D 0.7(17) . . . . ?
C3D C4D C5D C6D -0.1(17) . . . . ?
C4D C5D C6D N1D 0.6(15) . . . . ?
C4D C5D C6D C7D 179.3(10) . . . . ?
N1D C6D C7D N8D -3.1(12) . . . . ?
C5D C6D C7D N8D 178.1(8) . . . . ?
O11D C10D C12D C13D -170.2(8) . . . . ?
N9D C10D C12D C13D 8.3(11) . . . . ?
O11D C10D C12D C17D 4.1(11) . . . . ?
N9D C10D C12D C17D -177.4(6) . . . . ?
C17D C12D C13D C14D -2.1(12) . . . . ?
C10D C12D C13D C14D 172.0(8) . . . . ?
C12D C13D C14D C15D 3.8(13) . . . . ?
C12D C13D C14D S18D -171.4(6) . . . . ?
C13D C14D C15D C16D -2.0(13) . . . . ?
S18D C14D C15D C16D 173.2(6) . . . . ?
C14D C15D C16D C17D -1.6(12) . . . . ?
C14D C15D C16D C23D -175.6(7) . . . . ?
C13D C12D C17D C16D -1.4(11) . . . . ?
C10D C12D C17D C16D -176.0(7) . . . . ?
C15D C16D C17D C12D 3.3(11) . . . . ?
C23D C16D C17D C12D 177.7(7) . . . . ?
C15D C16D C23D O22D 173.2(7) . . . . ?
C17D C16D C23D O22D -0.9(10) . . . . ?
C15D C16D C23D N24D -2.5(12) . . . . ?
C17D C16D C23D N24D -176.6(7) . . . . ?
N25D C26D C27D C28D -174.0(8) . . . . ?
N25D C26D C27D N32D 4.9(11) . . . . ?
N32D C27D C28D C29D 1.2(15) . . . . ?
C26D C27D C28D C29D -179.9(9) . . . . ?
C27D C28D C29D C30D 0.6(17) . . . . ?
C28D C29D C30D C31D 0.0(17) . . . . ?
C29D C30D C31D N32D -2.8(16) . . . . ?
C3D C2D N1D C6D 2.5(15) . . . . ?
C3D C2D N1D Zn4 175.5(8) . . . . ?
C5D C6D N1D C2D -1.7(13) . . . . ?
C7D C6D N1D C2D 179.5(8) . . . . ?
C5D C6D N1D Zn4 -175.9(7) . . . . ?
C7D C6D N1D Zn4 5.3(9) . . . . ?
C6D C7D N8D N9D 178.5(7) . . . . ?
C6D C7D N8D Zn4 -1.2(10) . . . . ?
O11D C10D N9D N8D -0.3(10) . . . . ?
C12D C10D N9D N8D -178.7(6) . . . . ?
C7D N8D N9D C10D 179.3(7) . . . . ?
Zn4 N8D N9D C10D -1.0(7) . . . . ?
O22D C23D N24D N25D 0.1(10) . . . . ?
C16D C23D N24D N25D 175.6(6) . . . . ?
C27D C26D N25D N24D 178.5(7) . . . . ?
C27D C26D N25D Zn1 -0.2(10) . . . . ?
C23D N24D N25D C26D -179.6(7) . . . . ?
C23D N24D N25D Zn1 -0.8(8) . . . . ?
C30D C31D N32D C27D 4.6(14) . . . . ?
C30D C31D N32D Zn1 -170.5(7) . . . . ?
C28D C27D N32D C31D -3.7(12) . . . . ?
C26D C27D N32D C31D 177.3(8) . . . . ?
C28D C27D N32D Zn1 172.5(7) . . . . ?
C26D C27D N32D Zn1 -6.5(9) . . . . ?
N9D C10D O11D Zn4 1.4(10) . . . . ?
C12D C10D O11D Zn4 179.7(5) . . . . ?
N24D C23D O22D Zn1 0.5(9) . . . . ?
C16D C23D O22D Zn1 -175.0(5) . . . . ?
Na9A O20D S18D O19D -51.9(9) 1_545 . . . ?
Na9B O20D S18D O19D -86.7(7) 1_545 . . . ?
Na9A O20D S18D O21D 74.8(8) 1_545 . . . ?
Na9B O20D S18D O21D 40.0(6) 1_545 . . . ?
Na9A O20D S18D C14D -170.2(7) 1_545 . . . ?
Na9B O20D S18D C14D 155.0(5) 1_545 . . . ?
Na9A O20D S18D Na9B 34.8(5) 1_545 . . 1_545 ?
C13D C14D S18D O20D -21.5(8) . . . . ?
C15D C14D S18D O20D 163.0(7) . . . . ?
C13D C14D S18D O19D -143.5(7) . . . . ?
C15D C14D S18D O19D 41.1(8) . . . . ?
C13D C14D S18D O21D 97.5(7) . . . . ?
C15D C14D S18D O21D -77.9(8) . . . . ?
C13D C14D S18D Na9B -1.0(10) . . . 1_545 ?
C15D C14D S18D Na9B -176.5(6) . . . 1_545 ?
N1E C2E C3E C4E -1.0(15) . . . . ?
C2E C3E C4E C5E 3.4(15) . . . . ?
C3E C4E C5E C6E -2.6(14) . . . . ?
C4E C5E C6E N1E -0.6(12) . . . . ?
C4E C5E C6E C7E 179.2(8) . . . . ?
N1E C6E C7E N8E 1.2(10) . . . . ?
C5E C6E C7E N8E -178.7(7) . . . . ?
O11E C10E C12E C17E 11.3(10) . . . . ?
N9E C10E C12E C17E -168.1(7) . . . . ?
O11E C10E C12E C13E -171.0(7) . . . . ?
N9E C10E C12E C13E 9.6(11) . . . . ?
C17E C12E C13E C14E 0.0(11) . . . . ?
C10E C12E C13E C14E -177.7(7) . . . . ?
C12E C13E C14E C15E -1.5(12) . . . . ?
C12E C13E C14E S18E -177.8(6) . . . . ?
C13E C14E C15E C16E 2.8(11) . . . . ?
S18E C14E C15E C16E 179.0(6) . . . . ?
C14E C15E C16E C17E -2.7(11) . . . . ?
C14E C15E C16E C23E 178.2(7) . . . . ?
C15E C16E C17E C12E 1.2(12) . . . . ?
C23E C16E C17E C12E -179.6(7) . . . . ?
C13E C12E C17E C16E 0.1(11) . . . . ?
C10E C12E C17E C16E 177.9(7) . . . . ?
C17E C16E C23E O22E 6.3(11) . . . . ?
C15E C16E C23E O22E -174.5(7) . . . . ?
C17E C16E C23E N24E -171.5(7) . . . . ?
C15E C16E C23E N24E 7.7(11) . . . . ?
N25E C26E C27E C28E 179.6(11) . . . . ?
N25E C26E C27E N32E -4.7(14) . . . . ?
N32E C27E C28E C29E 4(2) . . . . ?
C26E C27E C28E C29E 179.0(13) . . . . ?
C27E C28E C29E C30E 2(2) . . . . ?
C28E C29E C30E C31E -4(2) . . . . ?
C29E C30E C31E N32E 1(2) . . . . ?
C3E C2E N1E C6E -2.3(12) . . . . ?
C3E C2E N1E Zn5 178.6(7) . . . . ?
C5E C6E N1E C2E 3.1(11) . . . . ?
C7E C6E N1E C2E -176.8(7) . . . . ?
C5E C6E N1E Zn5 -177.7(6) . . . . ?
C7E C6E N1E Zn5 2.5(8) . . . . ?
C6E C7E N8E N9E 178.9(6) . . . . ?
C6E C7E N8E Zn5 -4.7(9) . . . . ?
O11E C10E N9E N8E -0.8(10) . . . . ?
C12E C10E N9E N8E 178.6(6) . . . . ?
C7E N8E N9E C10E -179.1(6) . . . . ?
Zn5 N8E N9E C10E 4.6(7) . . . . ?
O22E C23E N24E N25E -0.1(12) . . . . ?
C16E C23E N24E N25E 177.5(7) . . . . ?
C27E C26E N25E N24E -178.8(8) . . . . ?
C27E C26E N25E Zn6 8.4(12) . . . . ?
C23E N24E N25E C26E -176.0(9) . . . . ?
C23E N24E N25E Zn6 -3.0(9) . . . . ?
C30E C31E N32E C27E 4.4(19) . . . . ?
C30E C31E N32E Zn6 -177.5(12) . . . . ?
C28E C27E N32E C31E -6.6(17) . . . . ?
C26E C27E N32E C31E 177.8(10) . . . . ?
C28E C27E N32E Zn6 174.9(10) . . . . ?
C26E C27E N32E Zn6 -0.7(11) . . . . ?
N9E C10E O11E Zn5 -3.0(9) . . . . ?
C12E C10E O11E Zn5 177.6(5) . . . . ?
N24E C23E O22E Zn6 3.0(11) . . . . ?
C16E C23E O22E Zn6 -174.6(5) . . . . ?
Na1 O21E S18E O20E 54.6(8) . . . . ?
Na1 O21E S18E O19E -174.4(7) . . . . ?
Na1 O21E S18E C14E -60.0(9) . . . . ?
Na8 O20E S18E O21E -13.9(6) . . . . ?
Na8 O20E S18E O19E -145.2(5) . . . . ?
Na8 O20E S18E C14E 100.7(5) . . . . ?
C15E C14E S18E O21E 151.5(6) . . . . ?
C13E C14E S18E O21E -32.1(7) . . . . ?
C15E C14E S18E O20E 31.4(8) . . . . ?
C13E C14E S18E O20E -152.2(7) . . . . ?
C15E C14E S18E O19E -88.2(7) . . . . ?
C13E C14E S18E O19E 88.2(7) . . . . ?
N1F C2F C3F C4F 0.8(17) . . . . ?
C2F C3F C4F C5F -1.7(19) . . . . ?
C3F C4F C5F C6F 0.7(18) . . . . ?
C4F C5F C6F N1F 1.3(16) . . . . ?
C4F C5F C6F C7F 179.0(11) . . . . ?
C5F C6F C7F N8F 178.8(10) . . . . ?
N1F C6F C7F N8F -3.3(14) . . . . ?
O11F C10F C12F C17F -3.4(9) . . . . ?
N9F C10F C12F C17F 176.7(7) . . . . ?
O11F C10F C12F C13F -177.7(7) . . . . ?
N9F C10F C12F C13F 2.4(10) . . . . ?
C17F C12F C13F C14F 0.2(11) . . . . ?
C10F C12F C13F C14F 174.3(7) . . . . ?
C12F C13F C14F C15F -1.1(12) . . . . ?
C12F C13F C14F S18F -176.2(6) . . . . ?
C13F C14F C15F C16F 0.7(12) . . . . ?
S18F C14F C15F C16F 175.9(6) . . . . ?
C14F C15F C16F C17F 0.5(11) . . . . ?
C14F C15F C16F C23F -176.6(7) . . . . ?
C15F C16F C17F C12F -1.3(11) . . . . ?
C23F C16F C17F C12F 175.8(7) . . . . ?
C13F C12F C17F C16F 1.0(11) . . . . ?
C10F C12F C17F C16F -173.3(7) . . . . ?
C17F C16F C23F O22F -1.1(11) . . . . ?
C15F C16F C23F O22F 175.9(7) . . . . ?
C17F C16F C23F N24F -178.0(7) . . . . ?
C15F C16F C23F N24F -1.0(11) . . . . ?
N25F C26F C27F C28F -173.3(9) . . . . ?
N25F C26F C27F N32F 6.1(11) . . . . ?
N32F C27F C28F C29F -3.1(15) . . . . ?
C26F C27F C28F C29F 176.4(9) . . . . ?
C27F C28F C29F C30F 2.8(16) . . . . ?
C28F C29F C30F C31F -0.4(18) . . . . ?
C29F C30F C31F N32F -2.0(17) . . . . ?
C3F C2F N1F C6F 1.1(14) . . . . ?
C3F C2F N1F Zn6 177.0(8) . . . . ?
C5F C6F N1F C2F -2.1(13) . . . . ?
C7F C6F N1F C2F 179.9(9) . . . . ?
C5F C6F N1F Zn6 -178.8(8) . . . . ?
C7F C6F N1F Zn6 3.2(10) . . . . ?
C6F C7F N8F N9F -176.9(8) . . . . ?
C6F C7F N8F Zn6 1.4(12) . . . . ?
O11F C10F N9F N8F 3.4(11) . . . . ?
C12F C10F N9F N8F -176.7(6) . . . . ?
C7F N8F N9F C10F 178.1(8) . . . . ?
Zn6 N8F N9F C10F -0.2(8) . . . . ?
O22F C23F N24F N25F -1.9(11) . . . . ?
C16F C23F N24F N25F 174.7(6) . . . . ?
C27F C26F N25F N24F 173.3(7) . . . . ?
C27F C26F N25F Zn7 -2.2(10) . . . . ?
C23F N24F N25F C26F -175.7(8) . . . . ?
C23F N24F N25F Zn7 -0.2(9) . . . . ?
C30F C31F N32F C27F 1.8(14) . . . . ?
C30F C31F N32F Zn7 -168.7(7) . . . . ?
C28F C27F N32F C31F 0.7(13) . . . . ?
C26F C27F N32F C31F -178.7(8) . . . . ?
C28F C27F N32F Zn7 172.8(8) . . . . ?
C26F C27F N32F Zn7 -6.6(9) . . . . ?
N9F C10F O11F Zn6 -4.6(9) . . . . ?
C12F C10F O11F Zn6 175.6(5) . . . . ?
N24F C23F O22F Zn7 2.9(10) . . . . ?
C16F C23F O22F Zn7 -173.7(5) . . . . ?
Na11 O21F S18F O19F 24.3(5) 1_545 . . . ?
Na12 O21F S18F O19F 130.5(4) 1_545 . . . ?
Na11 O21F S18F O20F -104.1(5) 1_545 . . . ?
Na12 O21F S18F O20F 2.1(5) 1_545 . . . ?
Na11 O21F S18F C14F 140.3(4) 1_545 . . . ?
Na12 O21F S18F C14F -113.4(4) 1_545 . . . ?
Na11 O21F S18F Na12 -106.3(4) 1_545 . . 1_545 ?
Na12 O21F S18F Na11 106.3(4) 1_545 . . 1_545 ?
Na11 O21F S18F Na4 -15.4(4) 1_545 . . 1_545 ?
Na12 O21F S18F Na4 90.9(4) 1_545 . . 1_545 ?
Na4 O19F S18F O21F -95.3(6) 1_545 . . . ?
Na11 O19F S18F O21F -21.6(5) 1_545 . . . ?
Na4 O19F S18F O20F 32.6(6) 1_545 . . . ?
Na11 O19F S18F O20F 106.3(4) 1_545 . . . ?
Na4 O19F S18F C14F 146.1(5) 1_545 . . . ?
Na11 O19F S18F C14F -140.2(4) 1_545 . . . ?
Na4 O19F S18F Na12 -19.6(9) 1_545 . . 1_545 ?
Na11 O19F S18F Na12 54.1(6) 1_545 . . 1_545 ?
Na4 O19F S18F Na11 -73.8(5) 1_545 . . 1_545 ?
Na11 O19F S18F Na4 73.8(5) 1_545 . . 1_545 ?
Na12 O20F S18F O21F -2.6(6) 1_545 . . . ?
Na5 O20F S18F O21F 145.5(6) 1_545 . . . ?
Na12 O20F S18F O19F -131.5(5) 1_545 . . . ?
Na5 O20F S18F O19F 16.6(7) 1_545 . . . ?
Na12 O20F S18F C14F 115.3(5) 1_545 . . . ?
Na5 O20F S18F C14F -96.7(6) 1_545 . . . ?
Na5 O20F S18F Na12 148.1(8) 1_545 . . 1_545 ?
Na12 O20F S18F Na11 -61.0(5) 1_545 . . 1_545 ?
Na5 O20F S18F Na11 87.1(6) 1_545 . . 1_545 ?
Na12 O20F S18F Na4 -112.6(4) 1_545 . . 1_545 ?
Na5 O20F S18F Na4 35.5(5) 1_545 . . 1_545 ?
C15F C14F S18F O21F 143.0(7) . . . . ?
C13F C14F S18F O21F -41.7(8) . . . . ?
C15F C14F S18F O19F -95.3(7) . . . . ?
C13F C14F S18F O19F 80.0(7) . . . . ?
C15F C14F S18F O20F 23.4(8) . . . . ?
C13F C14F S18F O20F -161.3(6) . . . . ?
C15F C14F S18F Na12 73.3(8) . . . 1_545 ?
C13F C14F S18F Na12 -111.4(7) . . . 1_545 ?
C15F C14F S18F Na11 -162.1(5) . . . 1_545 ?
C13F C14F S18F Na11 13.3(9) . . . 1_545 ?
C15F C14F S18F Na4 -68.3(7) . . . 1_545 ?
C13F C14F S18F Na4 107.0(7) . . . 1_545 ?
N1G C2G C3G C4G 2(3) . . . . ?
C2G C3G C4G C5G 1(2) . . . . ?
C3G C4G C5G C6G -1(2) . . . . ?
C4G C5G C6G N1G -2.2(19) . . . . ?
C4G C5G C6G C7G -177.6(13) . . . . ?
N1G C6G C7G N8G 7.5(14) . . . . ?
C5G C6G C7G N8G -176.9(11) . . . . ?
O11G C10G C12G C17G -0.2(11) . . . . ?
N9G C10G C12G C17G -179.0(7) . . . . ?
O11G C10G C12G C13G 176.7(8) . . . . ?
N9G C10G C12G C13G -2.1(12) . . . . ?
C17G C12G C13G C14G 0.3(11) . . . . ?
C10G C12G C13G C14G -176.6(8) . . . . ?
C12G C13G C14G C15G -1.2(12) . . . . ?
C12G C13G C14G S18G 176.8(6) . . . . ?
C13G C14G C15G C16G 0.6(11) . . . . ?
S18G C14G C15G C16G -177.4(6) . . . . ?
C14G C15G C16G C17G 0.8(10) . . . . ?
C14G C15G C16G C23G 176.9(7) . . . . ?
C15G C16G C17G C12G -1.7(11) . . . . ?
C23G C16G C17G C12G -177.9(7) . . . . ?
C13G C12G C17G C16G 1.2(11) . . . . ?
C10G C12G C17G C16G 178.3(7) . . . . ?
C17G C16G C23G O22G 18.6(10) . . . . ?
C15G C16G C23G O22G -157.4(7) . . . . ?
C17G C16G C23G N24G -159.6(7) . . . . ?
C15G C16G C23G N24G 24.3(10) . . . . ?
N25G C26G C27G C28G -179.1(7) . . . . ?
N25G C26G C27G N32G 2.1(9) . . . . ?
N32G C27G C28G C29G 0.8(12) . . . . ?
C26G C27G C28G C29G -177.9(8) . . . . ?
C27G C28G C29G C30G 2.6(14) . . . . ?
C28G C29G C30G C31G -2.7(16) . . . . ?
C29G C30G C31G N32G -0.6(17) . . . . ?
C3G C2G N1G C6G -6(2) . . . . ?
C3G C2G N1G Zn7 -171.5(12) . . . . ?
C5G C6G N1G C2G 5.7(16) . . . . ?
C7G C6G N1G C2G -178.5(11) . . . . ?
C5G C6G N1G Zn7 173.7(9) . . . . ?
C7G C6G N1G Zn7 -10.5(11) . . . . ?
C6G C7G N8G N9G 175.7(8) . . . . ?
C6G C7G N8G Zn7 0.2(12) . . . . ?
C7G N8G N9G C10G -174.2(8) . . . . ?
Zn7 N8G N9G C10G 1.3(9) . . . . ?
O11G C10G N9G N8G -2.2(11) . . . . ?
C12G C10G N9G N8G 176.6(7) . . . . ?
O22G C23G N24G N25G 3.0(9) . . . . ?
C16G C23G N24G N25G -178.9(6) . . . . ?
C27G C26G N25G N24G -174.7(6) . . . . ?
C27G C26G N25G Cu8 5.5(8) . . . . ?
C23G N24G N25G C26G 174.6(6) . . . . ?
C23G N24G N25G Cu8 -5.6(7) . . . . ?
C30G C31G N32G C27G 3.8(15) . . . . ?
C30G C31G N32G Cu8 -172.8(8) . . . . ?
C28G C27G N32G C31G -3.9(12) . . . . ?
C26G C27G N32G C31G 174.9(8) . . . . ?
C28G C27G N32G Cu8 173.3(6) . . . . ?
C26G C27G N32G Cu8 -7.9(7) . . . . ?
N9G C10G O11G Zn7 1.9(10) . . . . ?
C12G C10G O11G Zn7 -176.8(6) . . . . ?
N24G C23G O22G Cu8 0.8(8) . . . . ?
C16G C23G O22G Cu8 -177.4(5) . . . . ?
Na3 O21G S18G O20G -53.8(9) . . . . ?
Na3 O21G S18G O19G 75.9(8) . . . . ?
Na3 O21G S18G C14G -169.2(7) . . . . ?
Na3 O21G S18G Na8 -10.4(10) . . . . ?
Na8 O20G S18G O21G 114.3(5) . . . . ?
Na8 O20G S18G O19G -17.4(5) . . . . ?
Na8 O20G S18G C14G -131.6(4) . . . . ?
Na1 O19G S18G O21G -21.7(7) . . . . ?
Na1 O19G S18G O20G 107.7(5) . . . . ?
Na1 O19G S18G C14G -136.7(5) . . . . ?
Na1 O19G S18G Na8 96.2(5) . . . . ?
C13G C14G S18G O21G 122.0(8) . . . . ?
C15G C14G S18G O21G -60.0(7) . . . . ?
C13G C14G S18G O20G 3.6(8) . . . . ?
C15G C14G S18G O20G -178.4(6) . . . . ?
C13G C14G S18G O19G -115.5(7) . . . . ?
C15G C14G S18G O19G 62.5(7) . . . . ?
C13G C14G S18G Na8 -34.7(8) . . . . ?
C15G C14G S18G Na8 143.4(5) . . . . ?
N1H C2H C3H C4H -1.2(15) . . . . ?
C2H C3H C4H C5H 1.5(14) . . . . ?
C3H C4H C5H C6H -0.7(13) . . . . ?
C4H C5H C6H N1H -0.6(12) . . . . ?
C4H C5H C6H C7H -179.7(8) . . . . ?
N1H C6H C7H N8H 1.2(10) . . . . ?
C5H C6H C7H N8H -179.7(7) . . . . ?
O11H C10H C12H C17H 174.7(7) . . . . ?
N9H C10H C12H C17H -5.2(9) . . . . ?
O11H C10H C12H C13H -4.0(10) . . . . ?
N9H C10H C12H C13H 176.0(6) . . . . ?
C17H C12H C13H C14H -0.1(10) . . . . ?
C10H C12H C13H C14H 178.7(6) . . . . ?
C12H C13H C14H C15H -0.2(11) . . . . ?
C12H C13H C14H S18H 178.8(5) . . . . ?
C13H C14H C15H C16H 2.0(11) . . . . ?
S18H C14H C15H C16H -176.9(5) . . . . ?
C14H C15H C16H C17H -3.5(10) . . . . ?
C14H C15H C16H C23H -178.5(6) . . . . ?
C15H C16H C17H C12H 3.3(10) . . . . ?
C23H C16H C17H C12H 178.5(6) . . . . ?
C13H C12H C17H C16H -1.5(9) . . . . ?
C10H C12H C17H C16H 179.8(6) . . . . ?
C17H C16H C23H O22H -3.0(9) . . . . ?
C15H C16H C23H O22H 172.0(6) . . . . ?
C17H C16H C23H N24H 177.8(6) . . . . ?
C15H C16H C23H N24H -7.2(10) . . . . ?
N25H C26H C27H N32H 2.7(12) . . . . ?
N25H C26H C27H C28H -176.0(10) . . . . ?
N32H C27H C28H C29H -3.6(18) . . . . ?
C26H C27H C28H C29H 175.0(11) . . . . ?
C27H C28H C29H C30H 4(2) . . . . ?
C28H C29H C30H C31H -5(3) . . . . ?
C29H C30H C31H N32H 5(3) . . . . ?
C3H C2H N1H C6H -0.1(13) . . . . ?
C3H C2H N1H Cu8 -176.9(7) . . . . ?
C5H C6H N1H C2H 1.1(11) . . . . ?
C7H C6H N1H C2H -179.9(7) . . . . ?
C5H C6H N1H Cu8 178.5(6) . . . . ?
C7H C6H N1H Cu8 -2.4(8) . . . . ?
C6H C7H N8H N9H 179.6(6) . . . . ?
C6H C7H N8H Cu8 0.9(9) . . . . ?
O11H C10H N9H N8H 2.0(11) . . . . ?
C12H C10H N9H N8H -178.1(6) . . . . ?
C7H N8H N9H C10H 4.8(11) . . . . ?
Cu8 N8H N9H C10H -176.5(5) . . . . ?
O22H C23H N24H N25H -2.2(10) . . . . ?
C16H C23H N24H N25H 176.8(6) . . . . ?
C27H C26H N25H N24H 178.6(7) . . . . ?
C27H C26H N25H Zn5 1.8(11) . . . . ?
C23H N24H N25H C26H -173.3(7) . . . . ?
C23H N24H N25H Zn5 3.5(8) . . . . ?
C30H C31H N32H C27H -3.6(19) . . . . ?
C30H C31H N32H Zn5 -171.7(12) . . . . ?
C28H C27H N32H C31H 3.3(15) . . . . ?
C26H C27H N32H C31H -175.4(9) . . . . ?
C28H C27H N32H Zn5 173.5(9) . . . . ?
C26H C27H N32H Zn5 -5.2(10) . . . . ?
N24H C23H O22H Zn5 0.0(8) . . . . ?
C16H C23H O22H Zn5 -179.1(4) . . . . ?
Na4 O19H S18H O20H -148.2(6) 1_545 . . . ?
Na11 O19H S18H O20H 1.3(5) 1_545 . . . ?
Na4 O19H S18H O21H 81.6(7) 1_545 . . . ?
Na11 O19H S18H O21H -129.0(4) 1_545 . . . ?
Na4 O19H S18H C14H -32.3(8) 1_545 . . . ?
Na11 O19H S18H C14H 117.1(4) 1_545 . . . ?
C15H C14H S18H O20H -23.5(7) . . . . ?
C13H C14H S18H O20H 157.6(6) . . . . ?
C15H C14H S18H O21H 95.8(7) . . . . ?
C13H C14H S18H O21H -83.1(6) . . . . ?
C15H C14H S18H O19H -144.5(6) . . . . ?
C13H C14H S18H O19H 36.6(7) . . . . ?
N1I C2I C3I C4I 6(2) . . . . ?
C2I C3I C4I C5I -5(2) . . . . ?
C3I C4I C5I C6I 4(2) . . . . ?
C4I C5I C6I N1I -4(2) . . . . ?
C4I C5I C6I C7I 177.6(13) . . . . ?
N1I C6I C7I N8I 3.6(15) . . . . ?
C5I C6I C7I N8I -177.6(12) . . . . ?
O11I C10I C12I C13I 170.8(7) . . . . ?
N9I C10I C12I C13I -5.9(11) . . . . ?
O11I C10I C12I C17I -5.3(10) . . . . ?
N9I C10I C12I C17I 178.0(7) . . . . ?
C17I C12I C13I C14I 0.7(10) . . . . ?
C10I C12I C13I C14I -175.3(7) . . . . ?
C12I C13I C14I C15I 0.0(10) . . . . ?
C12I C13I C14I S18I 172.8(5) . . . . ?
C13I C14I C15I C16I -0.5(11) . . . . ?
S18I C14I C15I C16I -173.3(5) . . . . ?
C14I C15I C16I C17I 0.3(10) . . . . ?
C14I C15I C16I C23I 176.2(6) . . . . ?
C15I C16I C17I C12I 0.4(11) . . . . ?
C23I C16I C17I C12I -175.7(6) . . . . ?
C13I C12I C17I C16I -0.9(11) . . . . ?
C10I C12I C17I C16I 175.4(7) . . . . ?
C17I C16I C23I O22I 14.0(10) . . . . ?
C15I C16I C23I O22I -162.0(6) . . . . ?
C17I C16I C23I N24I -169.6(7) . . . . ?
C15I C16I C23I N24I 14.4(10) . . . . ?
N25I C26I C27I C28I 177.7(7) . . . . ?
N25I C26I C27I N32I 1.5(9) . . . . ?
N32I C27I C28I C29I -0.9(11) . . . . ?
C26I C27I C28I C29I -176.8(7) . . . . ?
C27I C28I C29I C30I 2.8(12) . . . . ?
C28I C29I C30I C31I -3.7(14) . . . . ?
C29I C30I C31I N32I 2.6(14) . . . . ?
C5I C6I N1I C2I 5.0(18) . . . . ?
C7I C6I N1I C2I -176.2(11) . . . . ?
C5I C6I N1I Zn9 175.8(10) . . . . ?
C7I C6I N1I Zn9 -5.4(12) . . . . ?
C3I C2I N1I C6I -6.0(18) . . . . ?
C3I C2I N1I Zn9 -175.3(10) . . . . ?
C6I C7I N8I N9I 179.1(9) . . . . ?
C6I C7I N8I Zn9 0.5(13) . . . . ?
O11I C10I N9I N8I 1.8(11) . . . . ?
C12I C10I N9I N8I 178.1(7) . . . . ?
C7I N8I N9I C10I -172.9(9) . . . . ?
Zn9 N8I N9I C10I 5.7(9) . . . . ?
O22I C23I N24I N25I -1.4(10) . . . . ?
C16I C23I N24I N25I -177.5(6) . . . . ?
C27I C26I N25I N24I -174.4(6) . . . . ?
C27I C26I N25I Cu10 3.7(8) . . . . ?
C23I N24I N25I C26I 176.3(7) . . . . ?
C23I N24I N25I Cu10 -1.8(7) . . . . ?
C30I C31I N32I C27I -0.7(12) . . . . ?
C30I C31I N32I Cu10 -178.5(6) . . . . ?
C28I C27I N32I C31I -0.1(11) . . . . ?
C26I C27I N32I C31I 176.2(7) . . . . ?
C28I C27I N32I Cu10 178.0(6) . . . . ?
C26I C27I N32I Cu10 -5.7(7) . . . . ?
N9I C10I O11I Zn9 -7.5(10) . . . . ?
C12I C10I O11I Zn9 176.1(5) . . . . ?
N24I C23I O22I Cu10 3.8(9) . . . . ?
C16I C23I O22I Cu10 180.0(5) . . . . ?
Na8 O19I S18I O21I -89.7(6) . . . . ?
Na8 O19I S18I O20I 37.5(6) . . . . ?
Na8 O19I S18I C14I 154.6(5) . . . . ?
Na8 O19I S18I Na3 -38.9(7) . . . . ?
Na3 O21I S18I O19I 120.1(3) . . . . ?
Na3 O21I S18I O20I -8.7(4) . . . . ?
Na3 O21I S18I C14I -122.6(3) . . . . ?
Na1 O20I S18I O19I 24.3(9) . . . . ?
Na3 O20I S18I O19I -121.3(3) . . . . ?
Na1 O20I S18I O21I 152.4(7) . . . . ?
Na3 O20I S18I O21I 6.8(3) . . . . ?
Na1 O20I S18I C14I -94.1(8) . . . . ?
Na3 O20I S18I C14I 120.3(3) . . . . ?
Na1 O20I S18I Na3 145.6(9) . . . . ?
C15I C14I S18I O19I -132.3(6) . . . . ?
C13I C14I S18I O19I 54.7(7) . . . . ?
C15I C14I S18I O21I 107.3(6) . . . . ?
C13I C14I S18I O21I -65.7(6) . . . . ?
C15I C14I S18I O20I -10.1(7) . . . . ?
C13I C14I S18I O20I 176.9(6) . . . . ?
C15I C14I S18I Na3 60.7(6) . . . . ?
C13I C14I S18I Na3 -112.3(5) . . . . ?
N1J C2J C3J C4J 0.0(14) . . . . ?
C2J C3J C4J C5J -0.7(14) . . . . ?
C3J C4J C5J C6J 1.0(13) . . . . ?
C4J C5J C6J N1J -0.8(12) . . . . ?
C4J C5J C6J C7J -179.2(8) . . . . ?
C5J C6J C7J N8J 176.2(8) . . . . ?
N1J C6J C7J N8J -2.2(11) . . . . ?
O11J C10J C12J C13J -2.2(12) . . . . ?
N9J C10J C12J C13J -178.9(8) . . . . ?
O11J C10J C12J C17J 178.0(8) . . . . ?
N9J C10J C12J C17J 1.3(12) . . . . ?
C17J C12J C13J C14J 0.6(12) . . . . ?
C10J C12J C13J C14J -179.2(8) . . . . ?
C12J C13J C14J C15J 1.5(14) . . . . ?
C12J C13J C14J S18J -178.4(7) . . . . ?
C13J C14J C15J C16J -1.4(14) . . . . ?
S18J C14J C15J C16J 178.4(6) . . . . ?
C14J C15J C16J C17J -0.7(12) . . . . ?
C14J C15J C16J C23J -176.0(8) . . . . ?
C15J C16J C17J C12J 2.7(11) . . . . ?
C23J C16J C17J C12J 178.2(7) . . . . ?
C13J C12J C17J C16J -2.7(11) . . . . ?
C10J C12J C17J C16J 177.1(7) . . . . ?
C17J C16J C23J O22J 1.1(10) . . . . ?
C15J C16J C23J O22J 176.5(7) . . . . ?
C17J C16J C23J N24J -177.5(7) . . . . ?
C15J C16J C23J N24J -2.1(11) . . . . ?
N25J C26J C27J N32J -0.8(12) . . . . ?
N25J C26J C27J C28J -177.2(9) . . . . ?
N32J C27J C28J C29J -2.1(16) . . . . ?
C26J C27J C28J C29J 174.2(10) . . . . ?
C27J C28J C29J C30J 4.6(18) . . . . ?
C28J C29J C30J C31J -4.6(19) . . . . ?
C29J C30J C31J N32J 2.3(18) . . . . ?
C3J C2J N1J C6J 0.2(12) . . . . ?
C3J C2J N1J Cu10 177.8(7) . . . . ?
C5J C6J N1J C2J 0.2(10) . . . . ?
C7J C6J N1J C2J 178.6(7) . . . . ?
C5J C6J N1J Cu10 -177.9(6) . . . . ?
C7J C6J N1J Cu10 0.5(8) . . . . ?
C6J C7J N8J N9J -176.5(9) . . . . ?
C6J C7J N8J Cu10 2.7(10) . . . . ?
C7J N8J N9J C10J -11.2(17) . . . . ?
Cu10 N8J N9J C10J 169.5(8) . . . . ?
O11J C10J N9J N8J 8.9(16) . . . . ?
C12J C10J N9J N8J -174.3(9) . . . . ?
O22J C23J N24J N25J 1.2(11) . . . . ?
C16J C23J N24J N25J 179.6(6) . . . . ?
C27J C26J N25J N24J 177.5(7) . . . . ?
C27J C26J N25J Zn11 3.0(11) . . . . ?
C23J N24J N25J C26J -178.4(8) . . . . ?
C23J N24J N25J Zn11 -3.7(8) . . . . ?
C30J C31J N32J C27J 0.2(15) . . . . ?
C30J C31J N32J Zn11 -174.3(9) . . . . ?
C28J C27J N32J C31J -0.4(13) . . . . ?
C26J C27J N32J C31J -176.9(8) . . . . ?
C28J C27J N32J Zn11 175.2(8) . . . . ?
C26J C27J N32J Zn11 -1.3(9) . . . . ?
N24J C23J O22J Zn11 1.7(10) . . . . ?
C16J C23J O22J Zn11 -176.7(5) . . . . ?
Na10 O19J S18J O20J -18(3) . . . . ?
Na9B O19J S18J O20J 119.0(5) . . . . ?
Na10 O19J S18J O21J -146(2) . . . . ?
Na9B O19J S18J O21J -9.6(5) . . . . ?
Na10 O19J S18J C14J 101(2) . . . . ?
Na9B O19J S18J C14J -122.5(4) . . . . ?
Na10 O19J S18J Na9B -137(2) . . . . ?
Na10 O19J S18J Na9A -147(2) . . . . ?
Na9B O19J S18J Na9A -10.6(3) . . . . ?
Na9A O21J S18J O20J -132.7(5) . . . . ?
Na9B O21J S18J O20J -121.5(4) . . . . ?
Na9A O21J S18J O19J -1.7(6) . . . . ?
Na9B O21J S18J O19J 9.5(5) . . . . ?
Na9A O21J S18J C14J 112.6(5) . . . . ?
Na9B O21J S18J C14J 123.8(4) . . . . ?
Na9A O21J S18J Na9B -11.2(4) . . . . ?
Na9B O21J S18J Na9A 11.2(4) . . . . ?
C13J C14J S18J O20J 144.7(9) . . . . ?
C15J C14J S18J O20J -35.2(10) . . . . ?
C13J C14J S18J O19J 19.4(10) . . . . ?
C15J C14J S18J O19J -160.5(8) . . . . ?
C13J C14J S18J O21J -96.3(8) . . . . ?
C15J C14J S18J O21J 83.8(8) . . . . ?
C13J C14J S18J Na9B -39.0(10) . . . . ?
C15J C14J S18J Na9B 141.1(7) . . . . ?
C13J C14J S18J Na9A -60.1(9) . . . . ?
C15J C14J S18J Na9A 120.0(7) . . . . ?
N1K C2K C3K C4K 0.5(16) . . . . ?
C2K C3K C4K C5K -1.6(15) . . . . ?
C3K C4K C5K C6K 1.8(13) . . . . ?
C4K C5K C6K N1K -1.0(11) . . . . ?
C4K C5K C6K C7K 178.8(7) . . . . ?
N1K C6K C7K N8K -2.8(9) . . . . ?
C5K C6K C7K N8K 177.4(7) . . . . ?
O11K C10K C12K C17K 8.7(9) . . . . ?
N9K C10K C12K C17K -170.8(7) . . . . ?
O11K C10K C12K C13K -173.8(7) . . . . ?
N9K C10K C12K C13K 6.8(10) . . . . ?
C17K C12K C13K C14K -1.6(11) . . . . ?
C10K C12K C13K C14K -179.2(7) . . . . ?
C12K C13K C14K C15K 0.4(13) . . . . ?
C12K C13K C14K S18K -179.4(6) . . . . ?
C13K C14K C15K C16K 0.9(13) . . . . ?
S18K C14K C15K C16K -179.2(6) . . . . ?
C14K C15K C16K C17K -1.0(12) . . . . ?
C14K C15K C16K C23K 176.3(8) . . . . ?
C13K C12K C17K C16K 1.6(11) . . . . ?
C10K C12K C17K C16K 179.3(7) . . . . ?
C15K C16K C17K C12K -0.3(11) . . . . ?
C23K C16K C17K C12K -177.8(7) . . . . ?
C17K C16K C23K O22K -2.4(11) . . . . ?
C15K C16K C23K O22K -179.7(8) . . . . ?
C17K C16K C23K N24K 177.7(7) . . . . ?
C15K C16K C23K N24K 0.4(12) . . . . ?
N25K C26K C27K N32K -0.5(11) . . . . ?
N25K C26K C27K C28K 179.9(8) . . . . ?
N32K C27K C28K C29K -3.3(13) . . . . ?
C26K C27K C28K C29K 176.3(8) . . . . ?
C27K C28K C29K C30K 1.8(14) . . . . ?
C28K C29K C30K C31K -1.1(15) . . . . ?
C29K C30K C31K N32K 1.9(16) . . . . ?
C3K C2K N1K C6K 0.3(13) . . . . ?
C3K C2K N1K Zn11 176.2(7) . . . . ?
C5K C6K N1K C2K -0.1(10) . . . . ?
C7K C6K N1K C2K -179.9(7) . . . . ?
C5K C6K N1K Zn11 -176.5(5) . . . . ?
C7K C6K N1K Zn11 3.7(7) . . . . ?
C6K C7K N8K N9K -177.6(6) . . . . ?
C6K C7K N8K Zn11 0.3(8) . . . . ?
O11K C10K N9K N8K 1.1(9) . . . . ?
C12K C10K N9K N8K -179.5(6) . . . . ?
C7K N8K N9K C10K -178.2(6) . . . . ?
Zn11 N8K N9K C10K 3.9(7) . . . . ?
O22K C23K N24K N25K -0.2(10) . . . . ?
C16K C23K N24K N25K 179.8(7) . . . . ?
C27K C26K N25K N24K 177.3(7) . . . . ?
C27K C26K N25K Zn12 -6.3(10) . . . . ?
C23K N24K N25K C26K 173.7(7) . . . . ?
C23K N24K N25K Zn12 -2.7(8) . . . . ?
C30K C31K N32K C27K -3.2(14) . . . . ?
C30K C31K N32K Zn12 174.5(7) . . . . ?
C28K C27K N32K C31K 3.9(12) . . . . ?
C26K C27K N32K C31K -175.7(8) . . . . ?
C28K C27K N32K Zn12 -174.2(7) . . . . ?
C26K C27K N32K Zn12 6.2(9) . . . . ?
N9K C10K O11K Zn11 -5.1(9) . . . . ?
C12K C10K O11K Zn11 175.5(5) . . . . ?
N24K C23K O22K Zn12 2.7(10) . . . . ?
C16K C23K O22K Zn12 -177.2(5) . . . . ?
Na3 O21K S18K O19K -146.1(10) . . . . ?
Na3 O21K S18K O20K 84.9(10) . . . . ?
Na3 O21K S18K C14K -30.8(11) . . . . ?
C13K C14K S18K O19K 102.0(9) . . . . ?
C15K C14K S18K O19K -77.9(10) . . . . ?
C13K C14K S18K O20K -139.5(8) . . . . ?
C15K C14K S18K O20K 40.7(9) . . . . ?
C13K C14K S18K O21K -19.0(9) . . . . ?
C15K C14K S18K O21K 161.1(7) . . . . ?
N1L C2L C3L C4L -12(3) . . . . ?
C2L C3L C4L C5L 6(3) . . . . ?
C3L C4L C5L C6L -2(2) . . . . ?
C4L C5L C6L N1L 1(2) . . . . ?
C4L C5L C6L C7L -176.5(14) . . . . ?
N1L C6L C7L N8L 0.9(18) . . . . ?
C5L C6L C7L N8L 179.0(13) . . . . ?
O11L C10L C12L C17L -6.8(10) . . . . ?
N9L C10L C12L C17L 172.5(7) . . . . ?
O11L C10L C12L C13L 179.0(9) . . . . ?
N9L C10L C12L C13L -1.6(12) . . . . ?
C17L C12L C13L C14L -0.6(15) . . . . ?
C10L C12L C13L C14L 173.5(10) . . . . ?
C12L C13L C14L C15L 0.3(19) . . . . ?
C12L C13L C14L S18L -175.6(8) . . . . ?
C13L C14L C15L C16L -0.1(19) . . . . ?
S18L C14L C15L C16L 175.9(8) . . . . ?
C14L C15L C16L C17L 0.2(15) . . . . ?
C14L C15L C16L C23L -175.8(9) . . . . ?
C13L C12L C17L C16L 0.7(12) . . . . ?
C10L C12L C17L C16L -173.9(7) . . . . ?
C15L C16L C17L C12L -0.5(12) . . . . ?
C23L C16L C17L C12L 175.7(7) . . . . ?
C15L C16L C23L O22L 170.5(9) . . . . ?
C17L C16L C23L O22L -5.5(11) . . . . ?
C15L C16L C23L N24L -8.7(13) . . . . ?
C17L C16L C23L N24L 175.2(7) . . . . ?
N25L C26L C27L N32L 4.2(12) . . . . ?
N25L C26L C27L C28L -174.4(9) . . . . ?
N32L C27L C28L C29L -2.9(16) . . . . ?
C26L C27L C28L C29L 175.7(9) . . . . ?
C27L C28L C29L C30L 3.6(16) . . . . ?
C28L C29L C30L C31L -3.3(16) . . . . ?
C29L C30L C31L N32L 2.2(17) . . . . ?
C3L C2L N1L C6L 12(2) . . . . ?
C3L C2L N1L Zn12 -177.1(13) . . . . ?
C5L C6L N1L C2L -7(2) . . . . ?
C7L C6L N1L C2L 171.3(14) . . . . ?
C5L C6L N1L Zn12 -179.1(10) . . . . ?
C7L C6L N1L Zn12 -1.1(13) . . . . ?
C6L C7L N8L N9L 177.9(10) . . . . ?
C6L C7L N8L Zn12 -0.2(16) . . . . ?
O11L C10L N9L N8L 3.5(12) . . . . ?
C12L C10L N9L N8L -175.7(6) . . . . ?
C7L N8L N9L C10L 175.6(10) . . . . ?
Zn12 N8L N9L C10L -6.3(9) . . . . ?
O22L C23L N24L N25L -1.2(12) . . . . ?
C16L C23L N24L N25L 178.0(7) . . . . ?
C27L C26L N25L N24L 177.9(7) . . . . ?
C27L C26L N25L Zn9 -5.1(11) . . . . ?
C23L N24L N25L C26L -179.9(8) . . . . ?
C23L N24L N25L Zn9 3.0(9) . . . . ?
C30L C31L N32L C27L -1.2(15) . . . . ?
C30L C31L N32L Zn9 -175.9(8) . . . . ?
C28L C27L N32L C31L 1.6(14) . . . . ?
C26L C27L N32L C31L -177.0(9) . . . . ?
C28L C27L N32L Zn9 177.1(8) . . . . ?
C26L C27L N32L Zn9 -1.5(10) . . . . ?
N9L C10L O11L Zn12 0.7(11) . . . . ?
C12L C10L O11L Zn12 179.9(5) . . . . ?
N24L C23L O22L Zn9 -1.0(11) . . . . ?
C16L C23L O22L Zn9 179.8(5) . . . . ?
Na10 O19L S18L O20L 85.2(12) . . . . ?
Na10 O19L S18L O21L -46.0(13) . . . . ?
Na10 O19L S18L C14L -160.1(10) . . . . ?
C13L C14L S18L O20L -160.9(13) . . . . ?
C15L C14L S18L O20L 22.9(15) . . . . ?
C13L C14L S18L O21L -27.7(14) . . . . ?
C15L C14L S18L O21L 156.1(12) . . . . ?
C13L C14L S18L O19L 87.7(13) . . . . ?
C15L C14L S18L O19L -88.4(12) . . . . ?
C13L C14L S18L Na10 73.8(13) . . . . ?
C15L C14L S18L Na10 -102.4(10) . . . . ?
N1M C2M C3M C4M -0.7(13) . . . . ?
C2M C3M C4M C5M 2.0(13) . . . . ?
C3M C4M C5M C6M -2.7(12) . . . . ?
C4M C5M C6M N1M 2.3(11) . . . . ?
C4M C5M C6M C7M 179.0(7) . . . . ?
N1M C6M C7M N8M -1.0(9) . . . . ?
C5M C6M C7M N8M -177.9(7) . . . . ?
O11M C10M C12M C13M -169.0(6) . . . . ?
N9M C10M C12M C13M 13.2(9) . . . . ?
O11M C10M C12M C17M 12.1(9) . . . . ?
N9M C10M C12M C17M -165.7(6) . . . . ?
C17M C12M C13M C14M 1.6(10) . . . . ?
C10M C12M C13M C14M -177.3(6) . . . . ?
C12M C13M C14M C15M -0.8(11) . . . . ?
C12M C13M C14M S18M -177.9(5) . . . . ?
C13M C14M C15M C16M 0.2(11) . . . . ?
S18M C14M C15M C16M 177.3(5) . . . . ?
C14M C15M C16M C17M -0.6(10) . . . . ?
C14M C15M C16M C23M 178.7(7) . . . . ?
C15M C16M C17M C12M 1.5(10) . . . . ?
C23M C16M C17M C12M -177.8(6) . . . . ?
C13M C12M C17M C16M -2.0(10) . . . . ?
C10M C12M C17M C16M 176.9(6) . . . . ?
C15M C16M C23M O22M -171.6(7) . . . . ?
C17M C16M C23M O22M 7.7(10) . . . . ?
C15M C16M C23M N24M 6.6(10) . . . . ?
C17M C16M C23M N24M -174.1(6) . . . . ?
N25M C26M C27M N32M -2.8(13) . . . . ?
N25M C26M C27M C28M 178.9(10) . . . . ?
N32M C27M C28M C29M 4(2) . . . . ?
C26M C27M C28M C29M -177.9(13) . . . . ?
C27M C28M C29M C30M -3(3) . . . . ?
C28M C29M C30M C31M 1(3) . . . . ?
C29M C30M C31M N32M 0(2) . . . . ?
C3M C2M N1M C6M 0.2(11) . . . . ?
C3M C2M N1M Zn13 -179.4(6) . . . . ?
C5M C6M N1M C2M -1.0(10) . . . . ?
C7M C6M N1M C2M -178.0(6) . . . . ?
C5M C6M N1M Zn13 178.7(6) . . . . ?
C7M C6M N1M Zn13 1.7(7) . . . . ?
C6M C7M N8M N9M 179.4(6) . . . . ?
C6M C7M N8M Zn13 -0.4(8) . . . . ?
O11M C10M N9M N8M -0.8(9) . . . . ?
C12M C10M N9M N8M 176.8(5) . . . . ?
C7M N8M N9M C10M -176.2(6) . . . . ?
Zn13 N8M N9M C10M 3.6(7) . . . . ?
O22M C23M N24M N25M -3.4(10) . . . . ?
C16M C23M N24M N25M 178.6(6) . . . . ?
C27M C26M N25M N24M 176.9(7) . . . . ?
C27M C26M N25M Zn14 0.9(11) . . . . ?
C23M N24M N25M C26M -178.7(7) . . . . ?
C23M N24M N25M Zn14 -2.6(7) . . . . ?
C28M C27M N32M C31M -3.5(16) . . . . ?
C26M C27M N32M C31M 178.2(10) . . . . ?
C28M C27M N32M Zn14 -178.6(9) . . . . ?
C26M C27M N32M Zn14 3.2(11) . . . . ?
C30M C31M N32M C27M 1.7(17) . . . . ?
C30M C31M N32M Zn14 176.0(10) . . . . ?
N9M C10M O11M Zn13 -2.0(8) . . . . ?
C12M C10M O11M Zn13 -179.6(4) . . . . ?
N24M C23M O22M Zn14 7.4(9) . . . . ?
C16M C23M O22M Zn14 -174.7(5) . . . . ?
Na2 O21M S18M O20M 60.3(9) . . . . ?
Na2 O21M S18M O19M -171.3(8) . . . . ?
Na2 O21M S18M C14M -55.4(9) . . . . ?
Na2 O21M S18M Na7 47.2(8) . . . . ?
Na7 O20M S18M O21M -21.0(5) . . . . ?
Na7 O20M S18M O19M -149.4(4) . . . . ?
Na7 O20M S18M C14M 94.6(4) . . . . ?
C13M C14M S18M O21M -30.7(7) . . . . ?
C15M C14M S18M O21M 152.1(6) . . . . ?
C13M C14M S18M O20M -151.1(6) . . . . ?
C15M C14M S18M O20M 31.7(7) . . . . ?
C13M C14M S18M O19M 89.0(7) . . . . ?
C15M C14M S18M O19M -88.1(7) . . . . ?
C13M C14M S18M Na7 -111.5(6) . . . . ?
C15M C14M S18M Na7 71.4(6) . . . . ?
N1N C2N C3N C4N -3(2) . . . . ?
C2N C3N C4N C5N 1(2) . . . . ?
C3N C4N C5N C6N 0(2) . . . . ?
C4N C5N C6N N1N 1.0(17) . . . . ?
C4N C5N C6N C7N -180.0(11) . . . . ?
N1N C6N C7N N8N -3.7(13) . . . . ?
C5N C6N C7N N8N 177.2(10) . . . . ?
O11N C10N C12N C17N 3.8(10) . . . . ?
N9N C10N C12N C17N -179.9(7) . . . . ?
O11N C10N C12N C13N -171.7(7) . . . . ?
N9N C10N C12N C13N 4.6(10) . . . . ?
C17N C12N C13N C14N -1.6(10) . . . . ?
C10N C12N C13N C14N 173.8(7) . . . . ?
C12N C13N C14N C15N -0.5(11) . . . . ?
C12N C13N C14N S18N -174.8(5) . . . . ?
C13N C14N C15N C16N 0.8(11) . . . . ?
S18N C14N C15N C16N 175.0(5) . . . . ?
C14N C15N C16N C17N 1.0(10) . . . . ?
C14N C15N C16N C23N -173.0(7) . . . . ?
C13N C12N C17N C16N 3.6(10) . . . . ?
C10N C12N C17N C16N -172.1(6) . . . . ?
C15N C16N C17N C12N -3.3(10) . . . . ?
C23N C16N C17N C12N 171.2(6) . . . . ?
C17N C16N C23N O22N -5.1(10) . . . . ?
C15N C16N C23N O22N 168.9(7) . . . . ?
C17N C16N C23N N24N -179.7(6) . . . . ?
C15N C16N C23N N24N -5.7(10) . . . . ?
N25N C26N C27N C28N -175.8(11) . . . . ?
N25N C26N C27N N32N 1.6(14) . . . . ?
N32N C27N C28N C29N 3(2) . . . . ?
C26N C27N C28N C29N -179.6(15) . . . . ?
C27N C28N C29N C30N -7(3) . . . . ?
C28N C29N C30N C31N 5(3) . . . . ?
C29N C30N C31N N32N 0(3) . . . . ?
C5N C6N N1N C2N -2.8(15) . . . . ?
C7N C6N N1N C2N 178.1(10) . . . . ?
C5N C6N N1N Zn14 -177.1(8) . . . . ?
C7N C6N N1N Zn14 3.8(10) . . . . ?
C3N C2N N1N C6N 3.7(18) . . . . ?
C3N C2N N1N Zn14 176.7(10) . . . . ?
C6N C7N N8N N9N -178.0(8) . . . . ?
C6N C7N N8N Zn14 1.4(12) . . . . ?
O11N C10N N9N N8N 0.8(10) . . . . ?
C12N C10N N9N N8N -175.2(6) . . . . ?
C7N N8N N9N C10N 178.3(8) . . . . ?
Zn14 N8N N9N C10N -1.0(8) . . . . ?
O22N C23N N24N N25N -1.0(10) . . . . ?
C16N C23N N24N N25N 173.2(6) . . . . ?
C27N C26N N25N N24N 174.8(8) . . . . ?
C27N C26N N25N Zn15 -0.5(12) . . . . ?
C23N N24N N25N C26N -179.2(8) . . . . ?
C23N N24N N25N Zn15 -3.9(8) . . . . ?
C30N C31N N32N C27N -4(2) . . . . ?
C30N C31N N32N Zn15 -176.0(12) . . . . ?
C28N C27N N32N C31N 2.2(17) . . . . ?
C26N C27N N32N C31N -175.3(10) . . . . ?
C28N C27N N32N Zn15 175.7(9) . . . . ?
C26N C27N N32N Zn15 -1.8(12) . . . . ?
N9N C10N O11N Zn14 -0.3(9) . . . . ?
C12N C10N O11N Zn14 175.7(5) . . . . ?
N24N C23N O22N Zn15 5.1(10) . . . . ?
C16N C23N O22N Zn15 -169.1(5) . . . . ?
Na5 O20N S18N O21N 92.8(5) . . . . ?
Na4 O20N S18N O21N -3.1(4) . . . . ?
Na5 O20N S18N O19N -34.6(6) . . . . ?
Na4 O20N S18N O19N -130.4(3) . . . . ?
Na5 O20N S18N C14N -151.1(4) . . . . ?
Na4 O20N S18N C14N 113.0(3) . . . . ?
Na5 O20N S18N Na4 95.9(4) . . . . ?
Na5 O20N S18N Na12 -0.2(5) . . . . ?
Na4 O20N S18N Na12 -96.1(3) . . . . ?
Na11 O21N S18N O20N -92.8(10) . . . . ?
Na4 O21N S18N O20N 3.3(4) . . . . ?
Na11 O21N S18N O19N 36.8(11) . . . . ?
Na4 O21N S18N O19N 133.0(3) . . . . ?
Na11 O21N S18N C14N 152.0(9) . . . . ?
Na4 O21N S18N C14N -111.9(3) . . . . ?
Na11 O21N S18N Na4 -96.1(10) . . . . ?
Na11 O21N S18N Na12 8.0(10) . . . . ?
Na4 O21N S18N Na12 104.1(3) . . . . ?
Na12 O19N S18N O20N 72.1(7) . . . . ?
Na12 O19N S18N O21N -55.8(6) . . . . ?
Na12 O19N S18N C14N -171.6(6) . . . . ?
Na12 O19N S18N Na4 1.5(8) . . . . ?
C13N C14N S18N O20N -167.0(6) . . . . ?
C15N C14N S18N O20N 18.6(7) . . . . ?
C13N C14N S18N O21N -47.7(7) . . . . ?
C15N C14N S18N O21N 137.8(6) . . . . ?
C13N C14N S18N O19N 70.5(7) . . . . ?
C15N C14N S18N O19N -103.9(6) . . . . ?
C13N C14N S18N Na4 -104.1(6) . . . . ?
C15N C14N S18N Na4 81.4(6) . . . . ?
C13N C14N S18N Na12 62.7(8) . . . . ?
C15N C14N S18N Na12 -111.7(7) . . . . ?
N1O C2O C3O C4O -1(3) . . . . ?
C2O C3O C4O C5O 1(3) . . . . ?
C3O C4O C5O C6O -1(3) . . . . ?
C4O C5O C6O N1O -1(2) . . . . ?
C4O C5O C6O C7O 176.2(16) . . . . ?
N1O C6O C7O N8O 6.9(16) . . . . ?
C5O C6O C7O N8O -170.1(12) . . . . ?
O11O C10O C12O C17O -6.4(10) . . . . ?
N9O C10O C12O C17O 177.6(7) . . . . ?
O11O C10O C12O C13O 173.7(7) . . . . ?
N9O C10O C12O C13O -2.3(11) . . . . ?
C17O C12O C13O C14O 1.2(10) . . . . ?
C10O C12O C13O C14O -179.0(7) . . . . ?
C12O C13O C14O C15O -1.8(11) . . . . ?
C12O C13O C14O S18O 177.4(5) . . . . ?
C13O C14O C15O C16O 3.0(12) . . . . ?
S18O C14O C15O C16O -176.1(6) . . . . ?
C14O C15O C16O C17O -3.6(11) . . . . ?
C14O C15O C16O C23O -179.5(7) . . . . ?
C15O C16O C17O C12O 3.2(11) . . . . ?
C23O C16O C17O C12O 179.1(7) . . . . ?
C13O C12O C17O C16O -2.0(11) . . . . ?
C10O C12O C17O C16O 178.1(7) . . . . ?
C17O C16O C23O O22O 10.9(11) . . . . ?
C15O C16O C23O O22O -173.3(7) . . . . ?
C17O C16O C23O N24O -168.9(7) . . . . ?
C15O C16O C23O N24O 7.0(10) . . . . ?
N25O C26O C27O C28O 177.2(8) . . . . ?
N25O C26O C27O N32O -6.1(10) . . . . ?
N32O C27O C28O C29O 1.2(14) . . . . ?
C26O C27O C28O C29O 177.5(9) . . . . ?
C27O C28O C29O C30O -3.5(17) . . . . ?
C28O C29O C30O C31O 1(2) . . . . ?
C29O C30O C31O N32O 4(2) . . . . ?
C5O C6O N1O C2O 1(2) . . . . ?
C7O C6O N1O C2O -176.3(12) . . . . ?
C5O C6O N1O Zn15 172.2(11) . . . . ?
C7O C6O N1O Zn15 -4.8(14) . . . . ?
C3O C2O N1O C6O 0(2) . . . . ?
C3O C2O N1O Zn15 -169.6(12) . . . . ?
C6O C7O N8O N9O 178.1(9) . . . . ?
C6O C7O N8O Zn15 -5.7(14) . . . . ?
O11O C10O N9O N8O -3.7(12) . . . . ?
C12O C10O N9O N8O 171.8(7) . . . . ?
C7O N8O N9O C10O -175.7(9) . . . . ?
Zn15 N8O N9O C10O 7.9(9) . . . . ?
O22O C23O N24O N25O -2.6(10) . . . . ?
C16O C23O N24O N25O 177.2(6) . . . . ?
C27O C26O N25O N24O -179.7(6) . . . . ?
C27O C26O N25O Cu16 6.4(9) . . . . ?
C23O N24O N25O C26O -178.0(7) . . . . ?
C23O N24O N25O Cu16 -4.1(8) . . . . ?
C30O C31O N32O C27O -6(2) . . . . ?
C30O C31O N32O Cu16 178.2(12) . . . . ?
C28O C27O N32O C31O 3.5(15) . . . . ?
C26O C27O N32O C31O -173.2(11) . . . . ?
C28O C27O N32O Cu16 179.9(7) . . . . ?
C26O C27O N32O Cu16 3.1(9) . . . . ?
N9O C10O O11O Zn15 -2.0(11) . . . . ?
C12O C10O O11O Zn15 -177.5(5) . . . . ?
N24O C23O O22O Cu16 7.3(10) . . . . ?
C16O C23O O22O Cu16 -172.4(5) . . . . ?
Na2 O19O S18O O21O -24.1(6) . . . . ?
Na7 O19O S18O O21O -121.5(3) . . . . ?
Na2 O19O S18O O20O 103.1(5) . . . . ?
Na7 O19O S18O O20O 5.6(4) . . . . ?
Na2 O19O S18O C14O -139.6(4) . . . . ?
Na7 O19O S18O C14O 122.9(3) . . . . ?
Na2 O19O S18O Na7 97.4(4) . . . . ?
Na2 O19O S18O Na6 14.2(5) . . . . ?
Na7 O19O S18O Na6 -83.2(2) . . . . ?
Na7 O19O S18O Na2 -97.4(4) . . . . ?
Na6 O21O S18O O19O 89.9(6) . . . . ?
Na6 O21O S18O O20O -38.1(6) . . . . ?
Na6 O21O S18O C14O -153.1(5) . . . . ?
Na6 O21O S18O Na7 16.5(7) . . . . ?
Na6 O21O S18O Na2 75.5(4) . . . . ?
Na7 O20O S18O O19O -6.5(4) . . . . ?
Na7 O20O S18O O21O 123.8(4) . . . . ?
Na7 O20O S18O C14O -123.3(3) . . . . ?
Na7 O20O S18O Na6 102.6(2) . . . . ?
Na7 O20O S18O Na2 34.0(4) . . . . ?
C13O C14O S18O O19O -102.8(7) . . . . ?
C15O C14O S18O O19O 76.4(7) . . . . ?
C13O C14O S18O O21O 134.1(6) . . . . ?
C15O C14O S18O O21O -46.7(7) . . . . ?
C13O C14O S18O O20O 17.3(7) . . . . ?
C15O C14O S18O O20O -163.5(6) . . . . ?
C13O C14O S18O Na7 -35.7(8) . . . . ?
C15O C14O S18O Na7 143.5(5) . . . . ?
C13O C14O S18O Na6 112.5(6) . . . . ?
C15O C14O S18O Na6 -68.3(8) . . . . ?
C13O C14O S18O Na2 -134.6(5) . . . . ?
C15O C14O S18O Na2 44.6(8) . . . . ?
N1P C2P C3P C4P -4.4(14) . . . . ?
C2P C3P C4P C5P 2.9(13) . . . . ?
C3P C4P C5P C6P 0.5(12) . . . . ?
C4P C5P C6P N1P -3.0(12) . . . . ?
C4P C5P C6P C7P 179.0(8) . . . . ?
N1P C6P C7P N8P 6.8(11) . . . . ?
C5P C6P C7P N8P -175.1(8) . . . . ?
O11P C10P C12P C17P 147.7(8) . . . . ?
N9P C10P C12P C17P -30.2(11) . . . . ?
O11P C10P C12P C13P -28.6(11) . . . . ?
N9P C10P C12P C13P 153.6(7) . . . . ?
C17P C12P C13P C14P 2.4(12) . . . . ?
C10P C12P C13P C14P 178.9(8) . . . . ?
C12P C13P C14P C15P -2.1(14) . . . . ?
C12P C13P C14P S18P 178.4(7) . . . . ?
C13P C14P C15P C16P 1.3(14) . . . . ?
S18P C14P C15P C16P -179.2(7) . . . . ?
C14P C15P C16P C17P -0.8(12) . . . . ?
C14P C15P C16P C23P -178.7(8) . . . . ?
C13P C12P C17P C16P -1.9(11) . . . . ?
C10P C12P C17P C16P -178.1(7) . . . . ?
C15P C16P C17P C12P 1.1(12) . . . . ?
C23P C16P C17P C12P 179.1(7) . . . . ?
C17P C16P C23P O22P -0.4(11) . . . . ?
C15P C16P C23P O22P 177.6(8) . . . . ?
C17P C16P C23P N24P -180.0(7) . . . . ?
C15P C16P C23P N24P -2.0(11) . . . . ?
N25P C26P C27P C28P 179.2(11) . . . . ?
N25P C26P C27P N32P 5.7(15) . . . . ?
N32P C27P C28P C29P -6.0(19) . . . . ?
C26P C27P C28P C29P -179.0(12) . . . . ?
C27P C28P C29P C30P 6(2) . . . . ?
C28P C29P C30P C31P -4(2) . . . . ?
C29P C30P C31P N32P 2(2) . . . . ?
C3P C2P N1P C6P 1.9(12) . . . . ?
C3P C2P N1P Cu16 -177.6(6) . . . . ?
C5P C6P N1P C2P 1.7(11) . . . . ?
C7P C6P N1P C2P 179.8(7) . . . . ?
C5P C6P N1P Cu16 -178.7(6) . . . . ?
C7P C6P N1P Cu16 -0.6(9) . . . . ?
C6P C7P N8P N9P 179.8(7) . . . . ?
C6P C7P N8P Cu16 -8.4(10) . . . . ?
C7P N8P N9P C10P 20.0(13) . . . . ?
Cu16 N8P N9P C10P -150.0(6) . . . . ?
O11P C10P N9P N8P -6.7(13) . . . . ?
C12P C10P N9P N8P 171.1(7) . . . . ?
O22P C23P N24P N25P 1.6(11) . . . . ?
C16P C23P N24P N25P -178.8(6) . . . . ?
C27P C26P N25P N24P 177.3(9) . . . . ?
C27P C26P N25P Zn13 -1.0(14) . . . . ?
C23P N24P N25P C26P -179.8(8) . . . . ?
C23P N24P N25P Zn13 -1.5(8) . . . . ?
C30P C31P N32P C27P -2.4(16) . . . . ?
C30P C31P N32P Zn13 -176.5(9) . . . . ?
C28P C27P N32P C31P 4.3(15) . . . . ?
C26P C27P N32P C31P 178.0(9) . . . . ?
C28P C27P N32P Zn13 179.5(9) . . . . ?
C26P C27P N32P Zn13 -6.9(11) . . . . ?
N24P C23P O22P Zn13 -1.0(9) . . . . ?
C16P C23P O22P Zn13 179.4(5) . . . . ?
Na12 O19P S18P O20P -154(3) . . . . ?
Na12 O19P S18P O21P 79(3) . . . . ?
Na12 O19P S18P C14P -34(3) . . . . ?
C13P C14P S18P O19P 41.1(11) . . . . ?
C15P C14P S18P O19P -138.4(10) . . . . ?
C13P C14P S18P O20P 168.8(11) . . . . ?
C15P C14P S18P O20P -10.6(12) . . . . ?
C13P C14P S18P O21P -74.8(10) . . . . ?
C15P C14P S18P O21P 105.8(10) . . . . ?
C13P C14P S18P Na12 34.0(8) . . . . ?
C15P C14P S18P Na12 -145.5(8) . . . . ?
S18P O19P Na12 O38 142(3) . . . 1_565 ?
S18P O19P Na12 O19N 80(3) . . . . ?
S18P O19P Na12 O20F -142(2) . . . 1_565 ?
S18P O19P Na12 O21F -169(3) . . . 1_565 ?
S18P O19P Na12 S18F -159(2) . . . 1_565 ?
S18P O19P Na12 S18N 98(3) . . . . ?
S18P O19P Na12 Na11 156(3) . . . . ?
O1S C1S N1S C2S -11(3) . . . . ?
O1S C1S N1S C3S -180(2) . . . . ?
O1T C1T N1T C2T 9(3) . . . . ?
Na3 C1T N1T C2T -50(3) . . . . ?
O1T C1T N1T C3T -179.5(17) . . . . ?
Na3 C1T N1T C3T 122(2) . . . . ?
N1T C1T O1T Na3 -139.7(13) . . . . ?

_refine_diff_density_max         1.242
_refine_diff_density_min         -0.601
_refine_diff_density_rms         0.105

_shelxl_version_number           2013-4





####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5
_database_code_depnum_ccdc_archive 'CCDC 1054510'
_audit_update_record             
;
2015-05-08 deposited with the CCDC.
2015-06-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            
'C326.45 H230.05 Cu10 N98.15 O119.55 S16 Zn6.40'
_chemical_formula_weight         9007.15

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   24.6339(15)
_cell_length_b                   26.2771(16)
_cell_length_c                   38.566(2)
_cell_angle_alpha                71.189(3)
_cell_angle_beta                 77.800(2)
_cell_angle_gamma                87.750(2)
_cell_volume                     23086(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.296
_exptl_crystal_F_000             9140
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.932
_shelx_estimated_absorpt_T_min   0.836
_shelx_estimated_absorpt_T_max   0.913
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            97710
_diffrn_reflns_av_unetI/netI     0.2319
_diffrn_reflns_av_R_equivalents  0.1877
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         0.570
_diffrn_reflns_theta_max         18.850
_diffrn_reflns_theta_full        18.850
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             36227
_reflns_number_gt                14248
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²+1.0000sinθ] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         36227
_refine_ls_number_parameters     4721
_refine_ls_number_restraints     7963
_refine_ls_R_factor_all          0.2743
_refine_ls_R_factor_gt           0.1379
_refine_ls_wR_factor_ref         0.4375
_refine_ls_wR_factor_gt          0.3434
_refine_ls_goodness_of_fit_ref   1.236
_refine_ls_restrained_S_all      1.142
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.28266(15) 0.63302(13) 0.55989(9) 0.0758(11) Uani 1 1 d . . . . .
Cu2 Cu 0.39634(16) 0.54574(16) 0.76204(10) 0.0909(13) Uani 1 1 d . . . . .
Cu3 Cu 0.71074(16) 0.68540(15) 0.65130(9) 0.0833(12) Uani 1 1 d . . . . .
Cu4 Cu 0.59267(16) 0.81367(13) 0.44715(9) 0.0774(11) Uani 1 1 d . . . . .
Zn5 Zn 0.28258(16) 0.36832(15) 0.73264(10) 0.0936(13) Uani 1 1 d . . . . .
Zn6 Zn 0.21460(19) 0.40061(16) 0.94967(11) 0.1163(16) Uani 1 1 d . . . . .
Cu7 Cu 0.48444(17) 0.65984(17) 0.85046(11) 0.1005(14) Uani 1 1 d . . . . .
Zn8 Zn 0.48240(15) 0.65086(13) 0.63358(9) 0.0755(11) Uani 1 1 d . . . . .
Cu9 Cu 0.31322(18) 0.83940(19) 0.32951(12) 0.1193(16) Uani 1 1 d . . . . .
Cu10 Cu 0.15435(18) 1.00245(19) 0.15395(12) 0.1152(16) Uani 1 1 d . . . . .
Cu11 Cu -0.15322(18) 0.98309(16) 0.28493(10) 0.0964(13) Uani 1 1 d . . . . .
Cu12 Cu -0.01504(19) 0.78562(18) 0.46665(11) 0.1121(16) Uani 1 1 d . . . . .
Zn13 Zn 0.30450(16) 0.85098(16) 0.10977(11) 0.1009(13) Uani 1 1 d . . . . .
Cu14 Cu 0.22892(15) 1.15038(15) -0.06227(10) 0.0892(13) Uani 1 1 d . . . . .
Zn15 Zn 0.03080(17) 1.20746(14) 0.13221(10) 0.0948(13) Uani 1 1 d . . . . .
Zn16 Zn 0.08761(16) 0.91584(14) 0.28734(10) 0.0882(12) Uani 1 1 d . . . . .
S18A S 0.5415(3) 0.4248(4) 0.5593(2) 0.115(3) Uani 1 1 d DG U . . .
O19A O 0.5557(6) 0.4575(6) 0.5211(2) 0.127(7) Uani 1 1 d DG U . . .
O20A O 0.5094(6) 0.3772(5) 0.5653(4) 0.125(7) Uani 1 1 d DG U . . .
O21A O 0.5889(5) 0.4135(7) 0.5771(4) 0.128(7) Uani 1 1 d DG U . . .
O11A O 0.3437(7) 0.5784(7) 0.5920(4) 0.071(5) Uani 1 1 d . U . . .
O22A O 0.4888(10) 0.4264(9) 0.6973(5) 0.114(7) Uani 1 1 d . U . . .
N8A N 0.3283(8) 0.5930(7) 0.5250(5) 0.054(5) Uani 1 1 d . U . . .
N9A N 0.3685(9) 0.5601(8) 0.5370(5) 0.067(5) Uani 1 1 d . U . . .
H9A H 0.3884 0.5423 0.5232 0.080 Uiso 1 1 calc R U . . .
N24A N 0.4390(9) 0.5012(9) 0.6998(6) 0.080(6) Uani 1 1 d . U . . .
H24A H 0.4231 0.5284 0.6858 0.096 Uiso 1 1 calc R U . . .
N25A N 0.4332(9) 0.5001(9) 0.7381(6) 0.081(6) Uani 1 1 d . U . . .
N1A N 0.2429(6) 0.6573(5) 0.5096(3) 0.072(6) Uani 1 1 d G U . . .
C2A C 0.2003(6) 0.6885(6) 0.5012(4) 0.085(7) Uani 1 1 d G U . . .
H2A H 0.1822 0.7062 0.5183 0.103 Uiso 1 1 calc R U . . .
C3A C 0.1817(6) 0.6962(6) 0.4689(5) 0.094(8) Uani 1 1 d G U . . .
H3A H 0.1503 0.7175 0.4643 0.113 Uiso 1 1 calc R U . . .
C4A C 0.2082(7) 0.6732(7) 0.4432(4) 0.088(8) Uani 1 1 d G U . . .
H4A H 0.1963 0.6789 0.4205 0.105 Uiso 1 1 calc R U . . .
C5A C 0.2532(6) 0.6412(6) 0.4511(3) 0.086(7) Uani 1 1 d G U . . .
H5A H 0.2725 0.6244 0.4339 0.103 Uiso 1 1 calc R U . . .
C6A C 0.2690(5) 0.6347(4) 0.4842(3) 0.079(7) Uani 1 1 d G U . . .
C7A C 0.3155(6) 0.5989(6) 0.4940(5) 0.062(6) Uani 1 1 d G U . . .
H7A H 0.3350 0.5811 0.4774 0.075 Uiso 1 1 calc R U . . .
C10A C 0.3765(11) 0.5560(9) 0.5713(7) 0.064(6) Uani 1 1 d . U . . .
C12A C 0.4192(5) 0.5204(4) 0.5879(4) 0.066(6) Uani 1 1 d G U . . .
C13A C 0.4570(6) 0.4948(6) 0.5673(3) 0.079(7) Uani 1 1 d G U . . .
H13A H 0.4557 0.4995 0.5420 0.094 Uiso 1 1 calc R U . . .
C14A C 0.4966(5) 0.4622(5) 0.5837(4) 0.091(6) Uani 1 1 d DG U . . .
C15A C 0.4984(5) 0.4552(5) 0.6207(4) 0.076(7) Uani 1 1 d G U . . .
H15A H 0.5255 0.4329 0.6319 0.091 Uiso 1 1 calc R U . . .
C16A C 0.4607(7) 0.4808(6) 0.6413(3) 0.069(6) Uani 1 1 d G U . . .
C17A C 0.4211(5) 0.5134(5) 0.6249(4) 0.063(6) Uani 1 1 d G U . . .
H17A H 0.3953 0.5309 0.6390 0.076 Uiso 1 1 calc R U . . .
C23A C 0.4647(13) 0.4676(12) 0.6817(8) 0.083(7) Uani 1 1 d . U . . .
C26A C 0.4620(9) 0.4582(8) 0.7581(3) 0.084(7) Uani 1 1 d G U . . .
H26A H 0.4822 0.4325 0.7483 0.100 Uiso 1 1 calc R U . . .
C27A C 0.4565(5) 0.4596(5) 0.7969(3) 0.071(6) Uani 1 1 d G U . . .
C28A C 0.4791(6) 0.4197(5) 0.8221(4) 0.083(7) Uani 1 1 d G U . . .
H28A H 0.4969 0.3905 0.8153 0.099 Uiso 1 1 calc R U . . .
C29A C 0.4753(7) 0.4231(6) 0.8577(4) 0.084(7) Uani 1 1 d G U . . .
H29A H 0.4903 0.3961 0.8760 0.101 Uiso 1 1 calc R U . . .
C30A C 0.4498(7) 0.4659(7) 0.8659(3) 0.089(8) Uani 1 1 d G U . . .
H30A H 0.4475 0.4694 0.8899 0.107 Uiso 1 1 calc R U . . .
C31A C 0.4274(6) 0.5039(6) 0.8395(4) 0.081(7) Uani 1 1 d G U . . .
H31A H 0.4083 0.5327 0.8461 0.098 Uiso 1 1 calc R U . . .
N32A N 0.4313(6) 0.5020(5) 0.8049(4) 0.071(6) Uani 1 1 d G U . . .
S18B S 0.4816(5) 0.9130(3) 0.6735(3) 0.168(5) Uani 1 1 d DG U . . .
O19B O 0.5220(8) 0.9392(8) 0.6406(5) 0.232(11) Uani 1 1 d DG U . . .
O20B O 0.4871(12) 0.9272(8) 0.7056(5) 0.253(12) Uani 1 1 d DG U . . .
O21B O 0.4253(6) 0.9178(9) 0.6674(7) 0.230(11) Uani 1 1 d DG U . . .
O11B O 0.3760(9) 0.7299(8) 0.7551(6) 0.107(6) Uani 1 1 d . U . . .
O22B O 0.6201(8) 0.7040(8) 0.6734(5) 0.081(5) Uani 1 1 d . U . . .
N8B N 0.3783(11) 0.6226(10) 0.7516(6) 0.090(6) Uani 1 1 d . U . . .
N9B N 0.4170(10) 0.6646(9) 0.7323(6) 0.081(6) Uani 1 1 d . U . . .
H9B H 0.4455 0.6575 0.7166 0.097 Uiso 1 1 calc R U . . .
N24B N 0.6586(10) 0.7884(9) 0.6575(6) 0.084(6) Uani 1 1 d . U . . .
N25B N 0.7076(10) 0.7667(9) 0.6456(6) 0.076(6) Uani 1 1 d . U . . .
N1B N 0.3136(6) 0.5353(7) 0.7816(4) 0.084(6) Uani 1 1 d G U . . .
C2B C 0.2801(8) 0.4916(5) 0.7976(5) 0.094(8) Uani 1 1 d G U . . .
H2B H 0.2954 0.4574 0.7991 0.113 Uiso 1 1 calc R U . . .
C3B C 0.2246(7) 0.4941(7) 0.8121(4) 0.097(8) Uani 1 1 d G U . . .
H3B H 0.2018 0.4623 0.8224 0.116 Uiso 1 1 calc R U . . .
C4B C 0.2022(5) 0.5424(8) 0.8118(5) 0.100(8) Uani 1 1 d G U . . .
H4B H 0.1640 0.5446 0.8223 0.120 Uiso 1 1 calc R U . . .
C5B C 0.2364(6) 0.5884(6) 0.7958(4) 0.103(8) Uani 1 1 d G U . . .
H5B H 0.2220 0.6228 0.7949 0.123 Uiso 1 1 calc R U . . .
C6B C 0.2912(6) 0.5829(6) 0.7813(3) 0.081(7) Uani 1 1 d G U . . .
C7B C 0.3282(9) 0.6317(7) 0.7627(5) 0.086(7) Uani 1 1 d G U . . .
H7B H 0.3150 0.6671 0.7594 0.103 Uiso 1 1 calc R U . . .
C10B C 0.4163(14) 0.7143(14) 0.7345(6) 0.099(8) Uani 1 1 d . U . . .
C12B C 0.4642(7) 0.7512(6) 0.7132(3) 0.071(4) Uani 1 1 d G U . . .
C13B C 0.4534(6) 0.8057(7) 0.7045(4) 0.089(7) Uani 1 1 d G U . . .
H13B H 0.4170 0.8170 0.7121 0.107 Uiso 1 1 calc R U . . .
C14B C 0.4960(8) 0.8438(4) 0.6847(4) 0.116(7) Uani 1 1 d DG U . . .
C15B C 0.5493(7) 0.8273(6) 0.6736(4) 0.082(6) Uani 1 1 d G U . . .
H15B H 0.5783 0.8533 0.6601 0.099 Uiso 1 1 calc R U . . .
C16B C 0.5600(6) 0.7728(7) 0.6823(4) 0.071(4) Uani 1 1 d G U . . .
C17B C 0.5175(8) 0.7348(4) 0.7021(4) 0.063(5) Uani 1 1 d G U . . .
H17B H 0.5249 0.6975 0.7081 0.075 Uiso 1 1 calc R U . . .
C23B C 0.6141(12) 0.7501(12) 0.6711(6) 0.071(6) Uani 1 1 d . U . . .
C26B C 0.7540(7) 0.7939(8) 0.6315(5) 0.081(7) Uani 1 1 d G U . . .
H26B H 0.7558 0.8311 0.6287 0.098 Uiso 1 1 calc R U . . .
C27B C 0.8046(6) 0.7657(5) 0.6199(3) 0.080(7) Uani 1 1 d G U . . .
C28B C 0.8542(7) 0.7939(5) 0.6046(4) 0.085(7) Uani 1 1 d G U . . .
H28B H 0.8564 0.8315 0.6004 0.103 Uiso 1 1 calc R U . . .
C29B C 0.9013(6) 0.7662(8) 0.5953(5) 0.106(8) Uani 1 1 d G U . . .
H29B H 0.9364 0.7845 0.5845 0.127 Uiso 1 1 calc R U . . .
C30B C 0.8962(6) 0.7123(8) 0.6022(4) 0.104(8) Uani 1 1 d G U . . .
H30B H 0.9280 0.6924 0.5966 0.125 Uiso 1 1 calc R U . . .
C31B C 0.8450(8) 0.6868(5) 0.6171(4) 0.095(8) Uani 1 1 d G U . . .
H31B H 0.8419 0.6494 0.6207 0.114 Uiso 1 1 calc R U . . .
N32B N 0.7993(6) 0.7124(5) 0.6268(4) 0.084(6) Uani 1 1 d G U . . .
S18C S 0.7353(4) 0.5303(3) 0.5006(3) 0.137(4) Uani 1 1 d DG U . . .
O19C O 0.7348(8) 0.4859(5) 0.5337(3) 0.133(7) Uani 1 1 d DG U . . .
O20C O 0.7901(5) 0.5462(7) 0.4780(5) 0.205(9) Uani 1 1 d DG U . . .
O21C O 0.6962(7) 0.5234(7) 0.4791(5) 0.180(8) Uani 1 1 d DG U . . .
O11C O 0.6984(7) 0.6865(7) 0.5995(4) 0.069(5) Uani 1 1 d . U . . .
O22C O 0.6238(8) 0.7572(7) 0.4869(5) 0.081(5) Uani 1 1 d . U . . .
N8C N 0.7151(9) 0.6090(9) 0.6551(6) 0.077(6) Uani 1 1 d . U . . .
N9C N 0.7140(9) 0.5956(9) 0.6233(6) 0.078(6) Uani 1 1 d . U . . .
N24C N 0.6371(9) 0.7113(8) 0.4437(6) 0.072(6) Uani 1 1 d . U . . .
N25C N 0.6120(9) 0.7560(9) 0.4239(6) 0.077(6) Uani 1 1 d . U . . .
N1C N 0.7178(7) 0.6501(6) 0.7070(4) 0.097(7) Uani 1 1 d G U . . .
C2C C 0.7165(8) 0.6711(6) 0.7344(5) 0.120(9) Uani 1 1 d G U . . .
H2C H 0.7119 0.7088 0.7291 0.144 Uiso 1 1 calc R U . . .
C3C C 0.7214(8) 0.6406(8) 0.7698(5) 0.121(9) Uani 1 1 d G U . . .
H3C H 0.7218 0.6573 0.7882 0.145 Uiso 1 1 calc R U . . .
C4C C 0.7256(8) 0.5864(8) 0.7785(4) 0.117(9) Uani 1 1 d G U . . .
H4C H 0.7282 0.5647 0.8031 0.140 Uiso 1 1 calc R U . . .
C5C C 0.7262(8) 0.5634(6) 0.7507(4) 0.112(8) Uani 1 1 d G U . . .
H5C H 0.7294 0.5256 0.7558 0.135 Uiso 1 1 calc R U . . .
C6C C 0.7220(5) 0.5964(6) 0.7157(4) 0.088(7) Uani 1 1 d G U . . .
C7C C 0.7249(9) 0.5731(9) 0.6850(5) 0.088(7) Uani 1 1 d G U . . .
H7C H 0.7328 0.5367 0.6871 0.106 Uiso 1 1 calc R U . . .
C10C C 0.7040(9) 0.6394(11) 0.5949(7) 0.069(6) Uani 1 1 d . U . . .
C12C C 0.6986(5) 0.6349(6) 0.5593(3) 0.061(6) Uani 1 1 d G U . . .
C13C C 0.7174(5) 0.5899(5) 0.5493(4) 0.065(6) Uani 1 1 d G U . . .
H13C H 0.7339 0.5618 0.5658 0.078 Uiso 1 1 calc R U . . .
C14C C 0.7120(5) 0.5861(4) 0.5150(4) 0.082(6) Uani 1 1 d DG U . . .
C15C C 0.6878(6) 0.6273(6) 0.4908(3) 0.069(6) Uani 1 1 d G U . . .
H15C H 0.6841 0.6247 0.4674 0.083 Uiso 1 1 calc R U . . .
C16C C 0.6691(5) 0.6723(5) 0.5008(4) 0.062(6) Uani 1 1 d G U . . .
C17C C 0.6745(5) 0.6760(4) 0.5350(4) 0.064(6) Uani 1 1 d G U . . .
H17C H 0.6617 0.7068 0.5418 0.077 Uiso 1 1 calc R U . . .
C23C C 0.6429(10) 0.7164(11) 0.4766(7) 0.069(6) Uani 1 1 d . U . . .
C26C C 0.6029(8) 0.7636(7) 0.3906(6) 0.092(8) Uani 1 1 d G U . . .
H26C H 0.6134 0.7389 0.3771 0.111 Uiso 1 1 calc R U . . .
C27C C 0.5745(5) 0.8144(5) 0.3755(4) 0.097(8) Uani 1 1 d G U . . .
C28C C 0.5581(8) 0.8249(7) 0.3422(4) 0.112(9) Uani 1 1 d G U . . .
H28C H 0.5659 0.8008 0.3281 0.135 Uiso 1 1 calc R U . . .
C29C C 0.5297(8) 0.8717(8) 0.3295(4) 0.122(9) Uani 1 1 d G U . . .
H29C H 0.5179 0.8804 0.3064 0.146 Uiso 1 1 calc R U . . .
C30C C 0.5190(7) 0.9047(6) 0.3508(5) 0.118(9) Uani 1 1 d G U . . .
H30C H 0.4989 0.9365 0.3429 0.141 Uiso 1 1 calc R U . . .
C31C C 0.5375(7) 0.8921(6) 0.3836(5) 0.104(8) Uani 1 1 d G U . . .
H31C H 0.5310 0.9164 0.3976 0.125 Uiso 1 1 calc R U . . .
N32C N 0.5640(6) 0.8470(6) 0.3967(4) 0.088(6) Uani 1 1 d G U . . .
S18D S 0.3235(4) 0.9332(3) 0.5584(2) 0.105(3) Uani 1 1 d DG U . . .
O19D O 0.2856(6) 0.9123(6) 0.5934(3) 0.141(7) Uani 1 1 d DG U . . .
O20D O 0.2969(7) 0.9613(6) 0.5281(4) 0.158(8) Uani 1 1 d DG U . . .
O21D O 0.3695(5) 0.9640(6) 0.5604(5) 0.128(7) Uani 1 1 d DG U . . .
O11D O 0.5026(7) 0.8006(7) 0.4790(4) 0.073(5) Uani 1 1 d . U . . .
O22D O 0.3338(7) 0.6998(7) 0.5417(5) 0.075(5) Uani 1 1 d . U . . .
N8D N 0.5757(10) 0.8713(8) 0.4729(6) 0.070(6) Uani 1 1 d . U . . .
N9D N 0.5242(9) 0.8740(8) 0.4934(5) 0.063(5) Uani 1 1 d . U . . .
N24D N 0.2637(10) 0.7269(9) 0.5818(6) 0.077(6) Uani 1 1 d . U . . .
N25D N 0.2428(9) 0.6769(9) 0.5899(6) 0.072(6) Uani 1 1 d . U . . .
N1D N 0.6741(6) 0.8629(5) 0.4269(4) 0.087(6) Uani 1 1 d G U . . .
C2D C 0.7229(7) 0.8585(6) 0.4053(4) 0.090(8) Uani 1 1 d G U . . .
H2D H 0.7246 0.8369 0.3896 0.108 Uiso 1 1 calc R U . . .
C3D C 0.7707(6) 0.8839(7) 0.4049(4) 0.092(8) Uani 1 1 d G U . . .
H3D H 0.8049 0.8785 0.3899 0.110 Uiso 1 1 calc R U . . .
C4D C 0.7690(5) 0.9168(7) 0.4260(5) 0.088(7) Uani 1 1 d G U . . .
H4D H 0.8017 0.9354 0.4255 0.106 Uiso 1 1 calc R U . . .
C5D C 0.7185(6) 0.9229(5) 0.4483(4) 0.091(8) Uani 1 1 d G U . . .
H5D H 0.7159 0.9454 0.4635 0.109 Uiso 1 1 calc R U . . .
C6D C 0.6726(5) 0.8956(4) 0.4477(3) 0.067(6) Uani 1 1 d G U . . .
C7D C 0.6185(6) 0.8995(7) 0.4725(5) 0.069(6) Uani 1 1 d G U . . .
H7D H 0.6152 0.9221 0.4877 0.083 Uiso 1 1 calc R U . . .
C10D C 0.4885(11) 0.8368(10) 0.4945(6) 0.062(6) Uani 1 1 d . U . . .
C12D C 0.4291(5) 0.8357(6) 0.5166(3) 0.064(6) Uani 1 1 d G U . . .
C13D C 0.4070(7) 0.8795(5) 0.5268(4) 0.081(7) Uani 1 1 d G U . . .
H13D H 0.4290 0.9115 0.5200 0.097 Uiso 1 1 calc R U . . .
C14D C 0.3527(7) 0.8765(5) 0.5471(4) 0.090(6) Uani 1 1 d DG U . . .
C15D C 0.3205(5) 0.8297(7) 0.5571(4) 0.083(7) Uani 1 1 d G U . . .
H15D H 0.2834 0.8277 0.5709 0.099 Uiso 1 1 calc R U . . .
C16D C 0.3425(7) 0.7859(5) 0.5468(4) 0.075(7) Uani 1 1 d G U . . .
C17D C 0.3968(7) 0.7889(5) 0.5265(4) 0.067(6) Uani 1 1 d G U . . .
H17D H 0.4119 0.7589 0.5195 0.081 Uiso 1 1 calc R U . . .
C23D C 0.3115(12) 0.7331(11) 0.5563(7) 0.074(7) Uani 1 1 d . U . . .
C26D C 0.1971(9) 0.6579(5) 0.6124(5) 0.072(7) Uani 1 1 d G U . . .
H26D H 0.1729 0.6779 0.6254 0.087 Uiso 1 1 calc R U . . .
C27D C 0.1857(5) 0.6011(5) 0.6161(3) 0.068(6) Uani 1 1 d G U . . .
C28D C 0.1407(6) 0.5735(6) 0.6420(4) 0.086(7) Uani 1 1 d G U . . .
H28D H 0.1176 0.5899 0.6582 0.103 Uiso 1 1 calc R U . . .
C29D C 0.1297(6) 0.5212(6) 0.6438(4) 0.092(8) Uani 1 1 d G U . . .
H29D H 0.0990 0.5008 0.6615 0.111 Uiso 1 1 calc R U . . .
C30D C 0.1637(7) 0.4997(5) 0.6198(5) 0.098(9) Uani 1 1 d G U . . .
H30D H 0.1564 0.4643 0.6202 0.118 Uiso 1 1 calc R U . . .
C31D C 0.2085(7) 0.5293(6) 0.5950(4) 0.090(8) Uani 1 1 d G U . . .
H31D H 0.2327 0.5132 0.5792 0.109 Uiso 1 1 calc R U . . .
N32D N 0.2195(5) 0.5800(6) 0.5922(3) 0.080(6) Uani 1 1 d G U . . .
S18E S 0.4857(4) 0.2450(5) 0.8766(3) 0.172(5) Uani 1 1 d DG U . . .
O19E O 0.4825(9) 0.2266(10) 0.9160(3) 0.233(11) Uani 1 1 d DG U . . .
O20E O 0.5326(6) 0.2809(7) 0.8559(6) 0.189(9) Uani 1 1 d DG U . . .
O21E O 0.4812(9) 0.2018(7) 0.8616(6) 0.228(10) Uani 1 1 d DG U . . .
O11E O 0.3041(9) 0.3633(7) 0.7853(5) 0.091(6) Uani 1 1 d . U . . .
O22E O 0.2656(8) 0.3745(7) 0.9057(5) 0.082(5) Uani 1 1 d . U . . .
N8E N 0.3620(10) 0.3412(9) 0.7316(7) 0.093(7) Uani 1 1 d . U . . .
N9E N 0.3838(10) 0.3253(9) 0.7615(7) 0.092(6) Uani 1 1 d . U . . .
N24E N 0.3216(11) 0.3444(10) 0.9483(7) 0.096(6) Uani 1 1 d . U . . .
N25E N 0.2830(11) 0.3654(10) 0.9692(7) 0.099(7) Uani 1 1 d . U . . .
N1E N 0.3081(6) 0.3758(6) 0.6732(4) 0.090(6) Uani 1 1 d G U . . .
C2E C 0.2830(6) 0.3960(6) 0.6443(5) 0.095(8) Uani 1 1 d G U . . .
H2E H 0.2457 0.4067 0.6491 0.114 Uiso 1 1 calc R U . . .
C3E C 0.3092(8) 0.4019(6) 0.6081(4) 0.091(7) Uani 1 1 d G U . . .
H3E H 0.2895 0.4150 0.5884 0.109 Uiso 1 1 calc R U . . .
C4E C 0.3634(8) 0.3889(7) 0.6003(3) 0.096(8) Uani 1 1 d G U . . .
H4E H 0.3822 0.3936 0.5752 0.115 Uiso 1 1 calc R U . . .
C5E C 0.3907(6) 0.3686(7) 0.6297(4) 0.104(8) Uani 1 1 d G U . . .
H5E H 0.4284 0.3589 0.6253 0.125 Uiso 1 1 calc R U . . .
C6E C 0.3617(6) 0.3630(5) 0.6653(4) 0.098(8) Uani 1 1 d G U . . .
C7E C 0.3892(9) 0.3393(8) 0.6975(5) 0.098(8) Uani 1 1 d G U . . .
H7E H 0.4245 0.3235 0.6944 0.117 Uiso 1 1 calc R U . . .
C10E C 0.3491(14) 0.3413(10) 0.7891(9) 0.086(7) Uani 1 1 d . U . . .
C12E C 0.3676(7) 0.3260(6) 0.8251(4) 0.089(7) Uani 1 1 d G U . . .
C13E C 0.4133(6) 0.2952(6) 0.8331(5) 0.094(7) Uani 1 1 d G U . . .
H13E H 0.4355 0.2820 0.8147 0.112 Uiso 1 1 calc R U . . .
C14E C 0.4267(5) 0.2838(5) 0.8680(6) 0.113(7) Uani 1 1 d DG U . . .
C15E C 0.3943(7) 0.3032(6) 0.8949(4) 0.090(7) Uani 1 1 d G U . . .
H15E H 0.4034 0.2954 0.9188 0.108 Uiso 1 1 calc R U . . .
C16E C 0.3486(6) 0.3339(6) 0.8869(5) 0.085(7) Uani 1 1 d G U . . .
C17E C 0.3352(5) 0.3453(5) 0.8520(5) 0.075(6) Uani 1 1 d G U . . .
H17E H 0.3039 0.3663 0.8465 0.090 Uiso 1 1 calc R U . . .
C23E C 0.3106(13) 0.3530(11) 0.9140(8) 0.083(7) Uani 1 1 d . U . . .
C26E C 0.2845(8) 0.3626(9) 1.0038(7) 0.112(8) Uani 1 1 d G U . . .
H26E H 0.3153 0.3484 1.0147 0.135 Uiso 1 1 calc R U . . .
C27E C 0.2356(7) 0.3828(6) 1.0250(4) 0.117(8) Uani 1 1 d G U . . .
C28E C 0.2341(9) 0.3795(8) 1.0614(4) 0.139(10) Uani 1 1 d G U . . .
H28E H 0.2631 0.3631 1.0736 0.166 Uiso 1 1 calc R U . . .
C29E C 0.1890(10) 0.4005(9) 1.0801(4) 0.163(11) Uani 1 1 d G U . . .
H29E H 0.1864 0.3987 1.1054 0.196 Uiso 1 1 calc R U . . .
C30E C 0.1487(8) 0.4238(8) 1.0615(6) 0.146(11) Uani 1 1 d G U . . .
H30E H 0.1179 0.4393 1.0735 0.175 Uiso 1 1 calc R U . . .
C31E C 0.1525(8) 0.4251(7) 1.0252(6) 0.136(10) Uani 1 1 d G U . . .
H31E H 0.1232 0.4401 1.0129 0.163 Uiso 1 1 calc R U . . .
N32E N 0.1959(8) 0.4059(7) 1.0064(4) 0.127(8) Uani 1 1 d G U . . .
S18F S 0.1558(3) 0.7158(3) 0.8605(2) 0.116(3) Uani 1 1 d DG U . . .
O19F O 0.1790(6) 0.7514(6) 0.8241(3) 0.133(7) Uani 1 1 d DG U . . .
O20F O 0.1525(7) 0.7393(6) 0.8897(4) 0.143(7) Uani 1 1 d DG U . . .
O21F O 0.1038(5) 0.6902(6) 0.8622(4) 0.119(6) Uani 1 1 d DG U . . .
O11F O 0.2469(8) 0.4815(7) 0.9240(5) 0.084(5) Uani 1 1 d . U . . .
O22F O 0.3942(8) 0.6176(7) 0.8680(5) 0.081(5) Uani 1 1 d . U . . .
N8F N 0.1476(10) 0.4438(9) 0.9302(6) 0.087(7) Uani 1 1 d . U . . .
N9F N 0.1577(10) 0.4996(9) 0.9134(6) 0.091(7) Uani 1 1 d . U . . .
N24F N 0.3776(10) 0.7036(9) 0.8369(6) 0.084(6) Uani 1 1 d . U . . .
H24F H 0.3529 0.7280 0.8304 0.100 Uiso 1 1 calc R U . . .
N25F N 0.4335(10) 0.7168(10) 0.8278(6) 0.087(6) Uani 1 1 d . U . . .
N1F N 0.1484(6) 0.3384(6) 0.9625(4) 0.089(6) Uani 1 1 d G U . . .
C2F C 0.1485(7) 0.2852(6) 0.9786(5) 0.108(9) Uani 1 1 d G U . . .
H2F H 0.1813 0.2694 0.9860 0.130 Uiso 1 1 calc R U . . .
C3F C 0.1030(9) 0.2524(5) 0.9849(4) 0.103(8) Uani 1 1 d G U . . .
H3F H 0.1052 0.2145 0.9955 0.124 Uiso 1 1 calc R U . . .
C4F C 0.0548(7) 0.2742(7) 0.9760(5) 0.108(9) Uani 1 1 d G U . . .
H4F H 0.0228 0.2520 0.9807 0.130 Uiso 1 1 calc R U . . .
C5F C 0.0534(6) 0.3296(7) 0.9598(5) 0.113(9) Uani 1 1 d G U . . .
H5F H 0.0204 0.3462 0.9531 0.136 Uiso 1 1 calc R U . . .
C6F C 0.1006(6) 0.3598(5) 0.9538(3) 0.100(8) Uani 1 1 d G U . . .
C7F C 0.1009(10) 0.4189(5) 0.9351(5) 0.097(8) Uani 1 1 d G U . . .
H7F H 0.0693 0.4370 0.9273 0.117 Uiso 1 1 calc R U . . .
C10F C 0.2094(14) 0.5141(12) 0.9115(6) 0.079(7) Uani 1 1 d . U . . .
C12F C 0.2264(7) 0.5706(4) 0.8937(3) 0.074(6) Uani 1 1 d G U . . .
C13F C 0.1869(5) 0.6098(7) 0.8870(4) 0.082(7) Uani 1 1 d G U . . .
H13F H 0.1485 0.5998 0.8939 0.098 Uiso 1 1 calc R U . . .
C14F C 0.2036(6) 0.6636(6) 0.8700(4) 0.091(6) Uani 1 1 d DG U . . .
C15F C 0.2598(7) 0.6783(5) 0.8598(4) 0.073(6) Uani 1 1 d G U . . .
H15F H 0.2712 0.7150 0.8482 0.087 Uiso 1 1 calc R U . . .
C16F C 0.2993(5) 0.6390(7) 0.8666(4) 0.071(6) Uani 1 1 d G U . . .
C17F C 0.2826(6) 0.5852(6) 0.8835(4) 0.083(7) Uani 1 1 d G U . . .
H17F H 0.3096 0.5584 0.8882 0.099 Uiso 1 1 calc R U . . .
C23F C 0.3623(13) 0.6516(12) 0.8563(7) 0.072(6) Uani 1 1 d . U . . .
C26F C 0.4502(6) 0.7655(10) 0.8064(6) 0.100(8) Uani 1 1 d G U . . .
H26F H 0.4258 0.7938 0.7987 0.120 Uiso 1 1 calc R U . . .
C27F C 0.5118(6) 0.7714(6) 0.7957(4) 0.097(8) Uani 1 1 d G U . . .
C28F C 0.5360(8) 0.8179(6) 0.7695(4) 0.100(8) Uani 1 1 d G U . . .
H28F H 0.5140 0.8457 0.7574 0.120 Uiso 1 1 calc R U . . .
C29F C 0.5937(8) 0.8232(7) 0.7610(4) 0.114(9) Uani 1 1 d G U . . .
H29F H 0.6119 0.8548 0.7429 0.136 Uiso 1 1 calc R U . . .
C30F C 0.6233(6) 0.7824(9) 0.7792(5) 0.114(9) Uani 1 1 d G U . . .
H30F H 0.6627 0.7856 0.7743 0.137 Uiso 1 1 calc R U . . .
C31F C 0.5963(7) 0.7366(7) 0.8047(5) 0.109(9) Uani 1 1 d G U . . .
H31F H 0.6178 0.7079 0.8164 0.131 Uiso 1 1 calc R U . . .
N32F N 0.5410(7) 0.7309(5) 0.8138(4) 0.105(7) Uani 1 1 d G U . . .
S18G S 0.6415(4) 0.4335(3) 0.7748(3) 0.149(4) Uani 1 1 d DG U . . .
O19G O 0.6913(6) 0.4454(7) 0.7467(5) 0.176(9) Uani 1 1 d DG U . . .
O20G O 0.6049(7) 0.3954(7) 0.7709(5) 0.183(9) Uani 1 1 d DG U . . .
O21G O 0.6514(9) 0.4194(8) 0.8124(3) 0.182(9) Uani 1 1 d DG U . . .
O11G O 0.5035(8) 0.6230(8) 0.8100(5) 0.088(5) Uani 1 1 d . U . . .
O22G O 0.5048(9) 0.6220(8) 0.6879(5) 0.093(6) Uani 1 1 d . U . . .
N8G N 0.5319(10) 0.6042(9) 0.8712(6) 0.086(6) Uani 1 1 d . U . . .
N9G N 0.5559(10) 0.5743(9) 0.8499(7) 0.087(6) Uani 1 1 d . U . . .
N24G N 0.5671(10) 0.5715(9) 0.6621(7) 0.086(6) Uani 1 1 d . U . . .
N25G N 0.5444(9) 0.5959(8) 0.6331(6) 0.080(6) Uani 1 1 d . U . . .
N1G N 0.4772(7) 0.6698(7) 0.9008(4) 0.120(8) Uani 1 1 d G U . . .
C2G C 0.4473(8) 0.7034(7) 0.9162(6) 0.138(10) Uani 1 1 d G U . . .
H2G H 0.4246 0.7281 0.9021 0.165 Uiso 1 1 calc R U . . .
C3G C 0.4481(8) 0.7037(8) 0.9516(6) 0.138(10) Uani 1 1 d G U . . .
H3G H 0.4274 0.7293 0.9612 0.166 Uiso 1 1 calc R U . . .
C4G C 0.4785(9) 0.6672(9) 0.9729(4) 0.140(10) Uani 1 1 d G U . . .
H4G H 0.4787 0.6665 0.9977 0.168 Uiso 1 1 calc R U . . .
C5G C 0.5093(8) 0.6312(8) 0.9577(4) 0.131(9) Uani 1 1 d G U . . .
H5G H 0.5312 0.6054 0.9718 0.157 Uiso 1 1 calc R U . . .
C6G C 0.5072(6) 0.6338(6) 0.9220(4) 0.091(7) Uani 1 1 d G U . . .
C7G C 0.5416(8) 0.5972(8) 0.9045(6) 0.105(8) Uani 1 1 d G U . . .
H7G H 0.5668 0.5723 0.9158 0.126 Uiso 1 1 calc R U . . .
C10G C 0.5407(10) 0.5893(11) 0.8178(8) 0.078(7) Uani 1 1 d . U . . .
C12G C 0.5581(5) 0.5637(6) 0.7887(4) 0.078(6) Uani 1 1 d G U . . .
C13G C 0.5887(6) 0.5173(6) 0.7953(4) 0.083(7) Uani 1 1 d G U . . .
H13G H 0.5986 0.5016 0.8189 0.099 Uiso 1 1 calc R U . . .
C14G C 0.6050(5) 0.4938(4) 0.7673(5) 0.104(7) Uani 1 1 d DG U . . .
C15G C 0.5906(6) 0.5167(6) 0.7327(4) 0.097(7) Uani 1 1 d G U . . .
H15G H 0.6017 0.5007 0.7136 0.116 Uiso 1 1 calc R U . . .
C16G C 0.5600(7) 0.5632(7) 0.7261(4) 0.090(7) Uani 1 1 d G U . . .
C17G C 0.5437(5) 0.5867(4) 0.7541(5) 0.087(7) Uani 1 1 d G U . . .
H17G H 0.5228 0.6184 0.7495 0.105 Uiso 1 1 calc R U . . .
C23G C 0.5432(13) 0.5876(13) 0.6902(9) 0.090(7) Uani 1 1 d . U . . .
C26G C 0.5621(8) 0.5830(8) 0.6012(5) 0.093(7) Uani 1 1 d G U . . .
H26G H 0.5916 0.5592 0.5983 0.112 Uiso 1 1 calc R U . . .
C27G C 0.5312(6) 0.6094(5) 0.5713(4) 0.087(7) Uani 1 1 d G U . . .
C28G C 0.5463(6) 0.6011(6) 0.5373(4) 0.089(7) Uani 1 1 d G U . . .
H28G H 0.5771 0.5798 0.5323 0.107 Uiso 1 1 calc R U . . .
C29G C 0.5153(8) 0.6246(7) 0.5103(3) 0.094(8) Uani 1 1 d G U . . .
H29G H 0.5247 0.6199 0.4864 0.113 Uiso 1 1 calc R U . . .
C30G C 0.4713(7) 0.6544(6) 0.5189(4) 0.097(8) Uani 1 1 d G U . . .
H30G H 0.4490 0.6701 0.5010 0.117 Uiso 1 1 calc R U . . .
C31G C 0.4591(6) 0.6618(6) 0.5533(5) 0.086(7) Uani 1 1 d G U . . .
H31G H 0.4292 0.6840 0.5584 0.104 Uiso 1 1 calc R U . . .
N32G N 0.4876(6) 0.6389(6) 0.5799(4) 0.087(6) Uani 1 1 d G U . . .
S18H S 0.1481(3) 0.6598(4) 0.7173(3) 0.124(3) Uani 1 1 d DG U . . .
O19H O 0.1254(7) 0.6356(7) 0.7562(3) 0.168(8) Uani 1 1 d DG U . . .
O20H O 0.1119(7) 0.6549(8) 0.6936(5) 0.171(8) Uani 1 1 d DG U . . .
O21H O 0.1687(8) 0.7144(4) 0.7080(5) 0.173(8) Uani 1 1 d DG U . . .
O11H O 0.4034(8) 0.6087(7) 0.6612(5) 0.082(5) Uani 1 1 d . U . . .
O22H O 0.2921(8) 0.4545(7) 0.7150(5) 0.083(5) Uani 1 1 d . U . . .
N8H N 0.4211(9) 0.7067(9) 0.6350(5) 0.069(5) Uani 1 1 d . U . . .
N9H N 0.3668(11) 0.6918(10) 0.6517(6) 0.088(6) Uani 1 1 d . U . . .
N24H N 0.1986(9) 0.4479(9) 0.7365(6) 0.074(6) Uani 1 1 d . U . . .
N25H N 0.2058(9) 0.3941(9) 0.7437(6) 0.073(6) Uani 1 1 d . U . . .
N1H N 0.5275(6) 0.7278(5) 0.6098(3) 0.074(6) Uani 1 1 d G U . . .
C2H C 0.5819(6) 0.7380(6) 0.5965(4) 0.074(7) Uani 1 1 d G U . . .
H2H H 0.6059 0.7086 0.5975 0.089 Uiso 1 1 calc R U . . .
C3H C 0.6046(5) 0.7893(7) 0.5814(4) 0.087(7) Uani 1 1 d G U . . .
H3H H 0.6437 0.7949 0.5732 0.105 Uiso 1 1 calc R U . . .
C4H C 0.5709(7) 0.8321(6) 0.5782(4) 0.080(7) Uani 1 1 d G U . . .
H4H H 0.5860 0.8678 0.5673 0.097 Uiso 1 1 calc R U . . .
C5H C 0.5140(7) 0.8225(5) 0.5913(4) 0.085(7) Uani 1 1 d G U . . .
H5H H 0.4893 0.8515 0.5897 0.102 Uiso 1 1 calc R U . . .
C6H C 0.4943(5) 0.7703(5) 0.6066(3) 0.075(7) Uani 1 1 d G U . . .
C7H C 0.4339(5) 0.7589(9) 0.6222(5) 0.081(7) Uani 1 1 d G U . . .
H7H H 0.4074 0.7860 0.6229 0.097 Uiso 1 1 calc R U . . .
C10H C 0.3644(12) 0.6423(12) 0.6604(6) 0.066(6) Uani 1 1 d . U . . .
C12H C 0.3050(5) 0.6179(7) 0.6809(3) 0.074(6) Uani 1 1 d G U . . .
C13H C 0.2595(7) 0.6487(5) 0.6881(4) 0.082(7) Uani 1 1 d G U . . .
H13H H 0.2636 0.6868 0.6803 0.098 Uiso 1 1 calc R U . . .
C14H C 0.2079(5) 0.6238(7) 0.7066(4) 0.093(6) Uani 1 1 d DG U . . .
C15H C 0.2019(5) 0.5681(7) 0.7179(4) 0.078(7) Uani 1 1 d G U . . .
H15H H 0.1666 0.5511 0.7305 0.093 Uiso 1 1 calc R U . . .
C16H C 0.2474(7) 0.5373(5) 0.7107(4) 0.076(6) Uani 1 1 d G U . . .
C17H C 0.2990(5) 0.5622(6) 0.6922(4) 0.059(6) Uani 1 1 d G U . . .
H17H H 0.3301 0.5412 0.6873 0.071 Uiso 1 1 calc R U . . .
C23H C 0.2506(14) 0.4757(12) 0.7205(7) 0.078(7) Uani 1 1 d . U . . .
C26H C 0.1638(9) 0.3583(6) 0.7598(5) 0.083(7) Uani 1 1 d G U . . .
H26H H 0.1263 0.3680 0.7659 0.100 Uiso 1 1 calc R U . . .
C27H C 0.1813(6) 0.3017(5) 0.7674(3) 0.080(7) Uani 1 1 d G U . . .
C28H C 0.1420(6) 0.2608(7) 0.7828(4) 0.103(8) Uani 1 1 d G U . . .
H28H H 0.1038 0.2681 0.7896 0.124 Uiso 1 1 calc R U . . .
C29H C 0.1592(8) 0.2083(6) 0.7883(5) 0.119(9) Uani 1 1 d G U . . .
H29H H 0.1331 0.1789 0.7991 0.143 Uiso 1 1 calc R U . . .
C30H C 0.2142(9) 0.1999(5) 0.7780(5) 0.122(9) Uani 1 1 d G U . . .
H30H H 0.2268 0.1644 0.7809 0.146 Uiso 1 1 calc R U . . .
C31H C 0.2515(6) 0.2428(7) 0.7632(5) 0.100(8) Uani 1 1 d G U . . .
H31H H 0.2899 0.2360 0.7572 0.120 Uiso 1 1 calc R U . . .
N32H N 0.2358(6) 0.2936(6) 0.7571(4) 0.086(6) Uani 1 1 d G U . . .
S18I S 0.1166(5) 0.6346(4) 0.2909(4) 0.191(5) Uani 1 1 d DG U . . .
O19I O 0.0930(11) 0.6295(9) 0.2614(5) 0.226(11) Uani 1 1 d DG U . . .
O20I O 0.0763(9) 0.6291(9) 0.3249(5) 0.249(12) Uani 1 1 d DG U . . .
O21I O 0.1639(7) 0.6009(8) 0.2970(7) 0.234(11) Uani 1 1 d DG U . . .
O11I O 0.2591(9) 0.8316(9) 0.2926(5) 0.110(6) Uani 1 1 d . U . . .
O22I O 0.1153(10) 0.8134(9) 0.1784(7) 0.129(8) Uani 1 1 d . U . . .
N8I N 0.3043(11) 0.7587(10) 0.3419(7) 0.106(8) Uani 1 1 d . U . . .
N9I N 0.2707(12) 0.7411(11) 0.3245(7) 0.112(8) Uani 1 1 d . U . . .
N24I N 0.1397(11) 0.8849(12) 0.1942(7) 0.117(8) Uani 1 1 d . U . . .
H24I H 0.1567 0.8942 0.2092 0.140 Uiso 1 1 calc R U . . .
N25I N 0.1232(11) 0.9265(11) 0.1654(8) 0.113(8) Uani 1 1 d . U . . .
N1I N 0.3634(7) 0.8011(6) 0.3738(4) 0.101(7) Uani 1 1 d G U . . .
C2I C 0.3929(8) 0.8235(7) 0.3908(5) 0.131(10) Uani 1 1 d G U . . .
H2I H 0.3925 0.8614 0.3854 0.157 Uiso 1 1 calc R U . . .
C3I C 0.4237(8) 0.7939(9) 0.4156(5) 0.129(10) Uani 1 1 d G U . . .
H3I H 0.4454 0.8114 0.4263 0.155 Uiso 1 1 calc R U . . .
C4I C 0.4232(8) 0.7394(9) 0.4249(5) 0.135(10) Uani 1 1 d G U . . .
H4I H 0.4437 0.7184 0.4425 0.162 Uiso 1 1 calc R U . . .
C5I C 0.3921(8) 0.7151(6) 0.4081(5) 0.131(10) Uani 1 1 d G U . . .
H5I H 0.3911 0.6771 0.4138 0.158 Uiso 1 1 calc R U . . .
C6I C 0.3630(6) 0.7472(7) 0.3831(4) 0.111(8) Uani 1 1 d G U . . .
C7I C 0.3313(9) 0.7224(10) 0.3636(6) 0.111(9) Uani 1 1 d G U . . .
H7I H 0.3306 0.6852 0.3664 0.133 Uiso 1 1 calc R U . . .
C10I C 0.2498(12) 0.7810(15) 0.3000(8) 0.106(8) Uani 1 1 d . U . . .
C12I C 0.2057(6) 0.7670(8) 0.2798(5) 0.103(8) Uani 1 1 d G U . . .
C13I C 0.1837(8) 0.7148(7) 0.2926(4) 0.126(9) Uani 1 1 d G U . . .
H13I H 0.1954 0.6885 0.3129 0.151 Uiso 1 1 calc R U . . .
C14I C 0.1446(7) 0.7009(5) 0.2757(5) 0.142(8) Uani 1 1 d DG U . . .
C15I C 0.1275(7) 0.7393(9) 0.2460(5) 0.124(9) Uani 1 1 d G U . . .
H15I H 0.1007 0.7298 0.2345 0.149 Uiso 1 1 calc R U . . .
C16I C 0.1495(8) 0.7916(7) 0.2332(4) 0.116(8) Uani 1 1 d G U . . .
C17I C 0.1886(8) 0.8054(5) 0.2501(5) 0.109(9) Uani 1 1 d G U . . .
H17I H 0.2036 0.8412 0.2414 0.131 Uiso 1 1 calc R U . . .
C23I C 0.1318(14) 0.8323(16) 0.2008(10) 0.122(9) Uani 1 1 d . U . . .
C26I C 0.0972(9) 0.9232(7) 0.1429(5) 0.099(8) Uani 1 1 d G U . . .
H26I H 0.0835 0.8895 0.1437 0.118 Uiso 1 1 calc R U . . .
C27I C 0.0872(5) 0.9739(5) 0.1140(4) 0.087(7) Uani 1 1 d G U . . .
C28I C 0.0557(7) 0.9722(6) 0.0890(5) 0.105(8) Uani 1 1 d G U . . .
H28I H 0.0415 0.9389 0.0893 0.126 Uiso 1 1 calc R U . . .
C29I C 0.0452(7) 1.0203(8) 0.0632(4) 0.104(8) Uani 1 1 d G U . . .
H29I H 0.0237 1.0207 0.0454 0.125 Uiso 1 1 calc R U . . .
C30I C 0.0661(7) 1.0669(6) 0.0641(4) 0.098(8) Uani 1 1 d G U . . .
H30I H 0.0587 1.1004 0.0471 0.118 Uiso 1 1 calc R U . . .
C31I C 0.0980(7) 1.0655(6) 0.0895(5) 0.100(8) Uani 1 1 d G U . . .
H31I H 0.1137 1.0983 0.0890 0.120 Uiso 1 1 calc R U . . .
N32I N 0.1080(6) 1.0199(6) 0.1150(4) 0.089(7) Uani 1 1 d G U . . .
S18J S 0.0455(5) 1.1731(5) 0.3364(3) 0.190(5) Uani 1 1 d DG U . . .
O19J O 0.0031(9) 1.1545(10) 0.3693(5) 0.238(11) Uani 1 1 d DG U . . .
O20J O 0.0411(11) 1.2287(5) 0.3154(5) 0.227(10) Uani 1 1 d DG U . . .
O21J O 0.1008(7) 1.1603(10) 0.3432(7) 0.274(12) Uani 1 1 d DG U . . .
O11J O 0.1577(11) 1.1359(9) 0.2130(7) 0.151(9) Uani 1 1 d . U . . .
O22J O -0.0700(9) 1.0198(8) 0.2741(5) 0.103(6) Uani 1 1 d . U . . .
N8J N 0.1638(12) 1.0521(10) 0.1801(8) 0.102(7) Uani 1 1 d . U . . .
N9J N 0.1299(11) 1.0591(10) 0.2090(7) 0.101(7) Uani 1 1 d . U . . .
H9J H 0.1049 1.0326 0.2192 0.121 Uiso 1 1 calc R U . . .
N24J N -0.1163(13) 1.0596(10) 0.3180(7) 0.103(7) Uani 1 1 d . U . . .
N25J N -0.1597(12) 1.0323(10) 0.3195(7) 0.099(7) Uani 1 1 d . U . . .
N1J N 0.2302(7) 1.0312(6) 0.1238(5) 0.107(7) Uani 1 1 d G U . . .
C2J C 0.2629(9) 1.0224(7) 0.0940(5) 0.129(10) Uani 1 1 d G U . . .
H2J H 0.2505 0.9974 0.0840 0.154 Uiso 1 1 calc R U . . .
C3J C 0.3138(8) 1.0481(8) 0.0774(5) 0.130(10) Uani 1 1 d G U . . .
H3J H 0.3365 1.0396 0.0569 0.156 Uiso 1 1 calc R U . . .
C4J C 0.3314(6) 1.0857(8) 0.0902(5) 0.121(9) Uani 1 1 d G U . . .
H4J H 0.3662 1.1043 0.0785 0.145 Uiso 1 1 calc R U . . .
C5J C 0.2977(7) 1.0962(6) 0.1207(5) 0.119(9) Uani 1 1 d G U . . .
H5J H 0.3089 1.1220 0.1305 0.143 Uiso 1 1 calc R U . . .
C6J C 0.2479(6) 1.0684(5) 0.1363(4) 0.104(8) Uani 1 1 d G U . . .
C7J C 0.2120(8) 1.0773(8) 0.1700(5) 0.086(7) Uani 1 1 d G U . . .
H7J H 0.2231 1.0991 0.1828 0.103 Uiso 1 1 calc R U . . .
C10J C 0.1216(14) 1.0945(11) 0.2278(8) 0.099(7) Uani 1 1 d . U . . .
C12J C 0.0777(8) 1.1006(6) 0.2566(4) 0.107(8) Uani 1 1 d G U . . .
C13J C 0.0830(7) 1.1310(6) 0.2794(5) 0.114(8) Uani 1 1 d G U . . .
H13J H 0.1173 1.1491 0.2761 0.137 Uiso 1 1 calc R U . . .
C14J C 0.0381(10) 1.1350(6) 0.3070(4) 0.138(8) Uani 1 1 d DG U . . .
C15J C -0.0121(8) 1.1085(7) 0.3118(4) 0.113(8) Uani 1 1 d G U . . .
H15J H -0.0428 1.1112 0.3307 0.135 Uiso 1 1 calc R U . . .
C16J C -0.0174(7) 1.0781(6) 0.2891(5) 0.095(7) Uani 1 1 d G U . . .
C17J C 0.0275(10) 1.0742(5) 0.2615(4) 0.097(7) Uani 1 1 d G U . . .
H17J H 0.0239 1.0534 0.2459 0.116 Uiso 1 1 calc R U . . .
C23J C -0.0752(15) 1.0504(12) 0.2955(9) 0.097(8) Uani 1 1 d . U . . .
C26J C -0.2076(9) 1.0342(8) 0.3401(6) 0.098(8) Uani 1 1 d G U . . .
H26J H -0.2127 1.0545 0.3568 0.118 Uiso 1 1 calc R U . . .
C27J C -0.2548(6) 1.0035(5) 0.3370(4) 0.097(7) Uani 1 1 d G U . . .
C28J C -0.3070(7) 1.0073(7) 0.3570(4) 0.106(8) Uani 1 1 d G U . . .
H28J H -0.3131 1.0280 0.3735 0.127 Uiso 1 1 calc R U . . .
C29J C -0.3508(6) 0.9799(8) 0.3525(5) 0.119(9) Uani 1 1 d G U . . .
H29J H -0.3875 0.9814 0.3660 0.142 Uiso 1 1 calc R U . . .
C30J C -0.3401(7) 0.9511(7) 0.3283(5) 0.122(9) Uani 1 1 d G U . . .
H30J H -0.3695 0.9328 0.3244 0.146 Uiso 1 1 calc R U . . .
C31J C -0.2866(8) 0.9485(6) 0.3097(4) 0.100(8) Uani 1 1 d G U . . .
H31J H -0.2796 0.9269 0.2937 0.120 Uiso 1 1 calc R U . . .
N32J N -0.2440(6) 0.9751(6) 0.3130(4) 0.097(7) Uani 1 1 d G U . . .
S18K S -0.1106(4) 0.6698(3) 0.3185(2) 0.108(3) Uani 1 1 d DG U . . .
O19K O -0.0963(7) 0.6236(5) 0.3462(4) 0.132(7) Uani 1 1 d DG U . . .
O20K O -0.0730(5) 0.6816(6) 0.2827(3) 0.115(6) Uani 1 1 d DG U . . .
O21K O -0.1683(4) 0.6688(6) 0.3159(4) 0.122(6) Uani 1 1 d DG U . . .
O11K O -0.1290(8) 0.9114(7) 0.3195(5) 0.092(6) Uani 1 1 d . U . . .
O22K O -0.0445(8) 0.8022(8) 0.4178(5) 0.090(6) Uani 1 1 d . U . . .
N8K N -0.1583(9) 0.9304(9) 0.2598(6) 0.073(6) Uani 1 1 d . U . . .
N9K N -0.1485(10) 0.8772(9) 0.2757(6) 0.081(6) Uani 1 1 d . U . . .
N24K N -0.0371(11) 0.7105(10) 0.4304(7) 0.107(7) Uani 1 1 d . U . . .
N25K N -0.0149(11) 0.7173(10) 0.4590(7) 0.103(7) Uani 1 1 d . U . . .
N1K N -0.1674(6) 1.0366(6) 0.2340(4) 0.090(6) Uani 1 1 d G U . . .
C2K C -0.1705(7) 1.0900(6) 0.2211(5) 0.106(8) Uani 1 1 d G U . . .
H2K H -0.1624 1.1105 0.2358 0.128 Uiso 1 1 calc R U . . .
C3K C -0.1851(7) 1.1165(5) 0.1875(5) 0.101(8) Uani 1 1 d G U . . .
H3K H -0.1884 1.1545 0.1798 0.121 Uiso 1 1 calc R U . . .
C4K C -0.1947(7) 1.0883(7) 0.1653(4) 0.103(8) Uani 1 1 d G U . . .
H4K H -0.2039 1.1063 0.1418 0.123 Uiso 1 1 calc R U . . .
C5K C -0.1907(7) 1.0327(6) 0.1778(4) 0.089(7) Uani 1 1 d G U . . .
H5K H -0.1975 1.0118 0.1630 0.107 Uiso 1 1 calc R U . . .
C6K C -0.1769(5) 1.0089(5) 0.2118(3) 0.079(7) Uani 1 1 d G U . . .
C7K C -0.1747(9) 0.9493(5) 0.2266(6) 0.086(7) Uani 1 1 d G U . . .
H7K H -0.1840 0.9265 0.2138 0.103 Uiso 1 1 calc R U . . .
C10K C -0.1338(9) 0.8730(12) 0.3078(7) 0.076(7) Uani 1 1 d . U . . .
C12K C -0.1159(5) 0.8190(5) 0.3272(4) 0.077(6) Uani 1 1 d G U . . .
C13K C -0.1211(5) 0.7754(7) 0.3150(3) 0.077(6) Uani 1 1 d G U . . .
H13K H -0.1365 0.7799 0.2937 0.093 Uiso 1 1 calc R U . . .
C14K C -0.1036(6) 0.7251(5) 0.3341(4) 0.090(6) Uani 1 1 d DG U . . .
C15K C -0.0810(6) 0.7186(5) 0.3654(4) 0.082(7) Uani 1 1 d G U . . .
H15K H -0.0691 0.6842 0.3784 0.099 Uiso 1 1 calc R U . . .
C16K C -0.0759(6) 0.7622(7) 0.3775(3) 0.079(7) Uani 1 1 d G U . . .
C17K C -0.0933(6) 0.8124(5) 0.3584(4) 0.074(6) Uani 1 1 d G U . . .
H17K H -0.0898 0.8423 0.3667 0.089 Uiso 1 1 calc R U . . .
C23K C -0.0522(11) 0.7618(13) 0.4108(8) 0.088(7) Uani 1 1 d . U . . .
C26K C 0.0032(10) 0.6763(11) 0.4805(5) 0.114(9) Uani 1 1 d G U . . .
H26K H 0.0051 0.6418 0.4774 0.137 Uiso 1 1 calc R U . . .
C27K C 0.0213(6) 0.6886(7) 0.5114(4) 0.114(8) Uani 1 1 d G U . . .
C28K C 0.0408(9) 0.6483(6) 0.5381(5) 0.146(10) Uani 1 1 d G U . . .
H28K H 0.0415 0.6124 0.5376 0.175 Uiso 1 1 calc R U . . .
C29K C 0.0595(9) 0.6613(9) 0.5658(5) 0.142(10) Uani 1 1 d G U . . .
H29K H 0.0731 0.6344 0.5849 0.170 Uiso 1 1 calc R U . . .
C30K C 0.0581(8) 0.7134(10) 0.5652(5) 0.135(10) Uani 1 1 d G U . . .
H30K H 0.0715 0.7233 0.5835 0.162 Uiso 1 1 calc R U . . .
C31K C 0.0372(8) 0.7515(7) 0.5379(6) 0.121(9) Uani 1 1 d G U . . .
H31K H 0.0350 0.7874 0.5385 0.145 Uiso 1 1 calc R U . . .
N32K N 0.0198(7) 0.7402(6) 0.5106(5) 0.116(8) Uani 1 1 d G U . . .
S18L S 0.1806(4) 1.0440(3) 0.4390(3) 0.135(4) Uani 1 1 d DG U . . .
O19L O 0.2114(7) 1.0824(6) 0.4062(3) 0.157(8) Uani 1 1 d DG U . . .
O20L O 0.2098(7) 1.0268(6) 0.4692(4) 0.144(7) Uani 1 1 d DG U . . .
O21L O 0.1247(5) 1.0604(7) 0.4506(5) 0.156(8) Uani 1 1 d DG U . . .
O11L O 0.0688(9) 0.8270(9) 0.4428(5) 0.104(6) Uani 1 1 d . U . . .
O22L O 0.2495(8) 0.8566(8) 0.3680(5) 0.093(5) Uani 1 1 d . U . . .
N8L N -0.0231(12) 0.8598(11) 0.4745(7) 0.110(7) Uani 1 1 d . U . . .
N9L N 0.0200(12) 0.8961(11) 0.4616(7) 0.102(7) Uani 1 1 d . U . . .
N24L N 0.2983(12) 0.9380(11) 0.3477(7) 0.106(7) Uani 1 1 d . U . . .
N25L N 0.3316(12) 0.9134(11) 0.3246(8) 0.112(8) Uani 1 1 d . U . . .
N1L N -0.1047(7) 0.7835(8) 0.4991(4) 0.108(7) Uani 1 1 d G U . . .
C2L C -0.1455(10) 0.7461(7) 0.5109(5) 0.145(10) Uani 1 1 d G U . . .
H2L H -0.1365 0.7105 0.5111 0.174 Uiso 1 1 calc R U . . .
C3L C -0.1999(9) 0.7569(9) 0.5230(5) 0.148(11) Uani 1 1 d G U . . .
H3L H -0.2280 0.7295 0.5302 0.177 Uiso 1 1 calc R U . . .
C4L C -0.2135(6) 0.8069(11) 0.5245(5) 0.141(10) Uani 1 1 d G U . . .
H4L H -0.2508 0.8146 0.5334 0.169 Uiso 1 1 calc R U . . .
C5L C -0.1716(8) 0.8463(8) 0.5130(5) 0.138(9) Uani 1 1 d G U . . .
H5L H -0.1797 0.8817 0.5135 0.166 Uiso 1 1 calc R U . . .
C6L C -0.1184(7) 0.8329(7) 0.5007(4) 0.119(9) Uani 1 1 d G U . . .
C7L C -0.0731(10) 0.8749(9) 0.4867(6) 0.114(9) Uani 1 1 d G U . . .
H7L H -0.0799 0.9108 0.4866 0.137 Uiso 1 1 calc R U . . .
C10L C 0.0660(14) 0.8724(13) 0.4486(7) 0.095(7) Uani 1 1 d . U . . .
C12L C 0.1196(7) 0.9076(6) 0.4330(4) 0.088(7) Uani 1 1 d G U . . .
C13L C 0.1246(7) 0.9544(7) 0.4417(4) 0.098(8) Uani 1 1 d G U . . .
H13L H 0.0946 0.9652 0.4574 0.118 Uiso 1 1 calc R U . . .
C14L C 0.1736(8) 0.9855(4) 0.4272(4) 0.101(7) Uani 1 1 d DG U . . .
C15L C 0.2175(6) 0.9697(6) 0.4041(4) 0.099(7) Uani 1 1 d G U . . .
H15L H 0.2510 0.9910 0.3942 0.119 Uiso 1 1 calc R U . . .
C16L C 0.2125(7) 0.9229(7) 0.3954(4) 0.085(6) Uani 1 1 d G U . . .
C17L C 0.1635(9) 0.8919(4) 0.4099(4) 0.090(7) Uani 1 1 d G U . . .
H17L H 0.1601 0.8599 0.4040 0.108 Uiso 1 1 calc R U . . .
C23L C 0.2535(13) 0.9039(13) 0.3719(8) 0.091(7) Uani 1 1 d . U . . .
C26L C 0.3766(11) 0.9368(10) 0.3040(6) 0.114(8) Uani 1 1 d G U . . .
H26L H 0.3915 0.9692 0.3046 0.136 Uiso 1 1 calc R U . . .
C27L C 0.4029(7) 0.9064(7) 0.2786(4) 0.124(9) Uani 1 1 d G U . . .
C28L C 0.4496(8) 0.9275(8) 0.2518(5) 0.157(11) Uani 1 1 d G U . . .
H28L H 0.4645 0.9619 0.2486 0.188 Uiso 1 1 calc R U . . .
C29L C 0.4746(8) 0.8973(11) 0.2295(5) 0.157(11) Uani 1 1 d G U . . .
H29L H 0.5069 0.9108 0.2105 0.189 Uiso 1 1 calc R U . . .
C30L C 0.4519(10) 0.8482(10) 0.2353(6) 0.166(12) Uani 1 1 d G U . . .
H30L H 0.4688 0.8265 0.2207 0.199 Uiso 1 1 calc R U . . .
C31L C 0.4045(10) 0.8299(8) 0.2622(6) 0.162(12) Uani 1 1 d G U . . .
H31L H 0.3883 0.7962 0.2652 0.195 Uiso 1 1 calc R U . . .
N32L N 0.3802(7) 0.8578(8) 0.2845(5) 0.141(9) Uani 1 1 d G U . . .
S18M S 0.0256(3) 0.8783(3) 0.02172(19) 0.083(2) Uani 1 1 d DG U . . .
O19M O 0.0137(6) 0.8348(4) 0.0559(2) 0.086(5) Uani 1 1 d DG U . . .
O20M O 0.0364(6) 0.8615(5) -0.0110(3) 0.107(6) Uani 1 1 d DG U . . .
O21M O -0.0151(5) 0.9200(4) 0.0198(3) 0.091(5) Uani 1 1 d DG U . . .
O11M O 0.2537(8) 0.9058(8) 0.0697(5) 0.093(6) Uani 1 1 d . U . . .
O22M O 0.2166(8) 1.0599(7) -0.0274(5) 0.089(6) Uani 1 1 d . U . . .
N8M N 0.2314(10) 0.8094(10) 0.1184(7) 0.099(8) Uani 1 1 d . U . . .
N9M N 0.1948(10) 0.8309(10) 0.0953(7) 0.093(7) Uani 1 1 d . U . . .
N24M N 0.1339(9) 1.0748(9) -0.0403(5) 0.073(6) Uani 1 1 d . U . . .
H24M H 0.0998 1.0634 -0.0381 0.087 Uiso 1 1 calc R U . . .
N25M N 0.1500(9) 1.1261(9) -0.0616(6) 0.078(6) Uani 1 1 d . U . . .
N1M N 0.3111(7) 0.7826(6) 0.1582(4) 0.114(8) Uani 1 1 d G U . . .
C2M C 0.3477(7) 0.7694(8) 0.1806(6) 0.123(10) Uani 1 1 d G U . . .
H2M H 0.3801 0.7916 0.1743 0.148 Uiso 1 1 calc R U . . .
C3M C 0.3401(8) 0.7251(9) 0.2122(5) 0.131(11) Uani 1 1 d G U . . .
H3M H 0.3678 0.7162 0.2268 0.158 Uiso 1 1 calc R U . . .
C4M C 0.2929(9) 0.6940(7) 0.2226(4) 0.118(10) Uani 1 1 d G U . . .
H4M H 0.2868 0.6637 0.2447 0.141 Uiso 1 1 calc R U . . .
C5M C 0.2538(7) 0.7073(6) 0.2001(5) 0.116(9) Uani 1 1 d G U . . .
H5M H 0.2205 0.6863 0.2065 0.140 Uiso 1 1 calc R U . . .
C6M C 0.2645(6) 0.7516(6) 0.1686(4) 0.106(9) Uani 1 1 d G U . . .
C7M C 0.2244(9) 0.7656(10) 0.1433(6) 0.102(9) Uani 1 1 d G U . . .
H7M H 0.1947 0.7416 0.1462 0.122 Uiso 1 1 calc R U . . .
C10M C 0.2138(12) 0.8789(12) 0.0704(7) 0.084(8) Uani 1 1 d . U . . .
C12M C 0.1707(5) 0.9053(6) 0.0455(4) 0.080(7) Uani 1 1 d G U . . .
C13M C 0.1220(6) 0.8814(5) 0.0443(3) 0.073(7) Uani 1 1 d G U . . .
H13M H 0.1119 0.8455 0.0598 0.087 Uiso 1 1 calc R U . . .
C14M C 0.0882(4) 0.9102(6) 0.0206(4) 0.071(6) Uani 1 1 d DG U . . .
C15M C 0.1029(5) 0.9628(6) -0.0020(4) 0.069(7) Uani 1 1 d G U . . .
H15M H 0.0798 0.9825 -0.0182 0.083 Uiso 1 1 calc R U . . .
C16M C 0.1516(6) 0.9867(5) -0.0008(4) 0.074(7) Uani 1 1 d G U . . .
C17M C 0.1854(4) 0.9580(7) 0.0229(4) 0.078(7) Uani 1 1 d G U . . .
H17M H 0.2187 0.9743 0.0238 0.093 Uiso 1 1 calc R U . . .
C23M C 0.1681(12) 1.0420(11) -0.0232(7) 0.069(7) Uani 1 1 d . U . . .
C26M C 0.1160(9) 1.1577(6) -0.0790(5) 0.072(7) Uani 1 1 d G U . . .
H26M H 0.0796 1.1467 -0.0787 0.086 Uiso 1 1 calc R U . . .
C27M C 0.1392(5) 1.2132(5) -0.0995(3) 0.075(7) Uani 1 1 d G U . . .
C28M C 0.1064(5) 1.2516(6) -0.1175(4) 0.086(8) Uani 1 1 d G U . . .
H28M H 0.0695 1.2428 -0.1179 0.104 Uiso 1 1 calc R U . . .
C29M C 0.1283(8) 1.3036(6) -0.1352(5) 0.100(8) Uani 1 1 d G U . . .
H29M H 0.1069 1.3312 -0.1481 0.120 Uiso 1 1 calc R U . . .
C30M C 0.1812(8) 1.3143(5) -0.1337(4) 0.118(10) Uani 1 1 d G U . . .
H30M H 0.1968 1.3498 -0.1451 0.142 Uiso 1 1 calc R U . . .
C31M C 0.2121(6) 1.2736(7) -0.1157(5) 0.111(9) Uani 1 1 d G U . . .
H31M H 0.2494 1.2815 -0.1158 0.133 Uiso 1 1 calc R U . . .
N32M N 0.1916(6) 1.2235(6) -0.0979(4) 0.093(7) Uani 1 1 d G U . . .
S18N S 0.3664(3) 1.2575(4) 0.0728(2) 0.120(3) Uani 1 1 d DG U . . .
O19N O 0.3692(7) 1.2262(6) 0.1101(3) 0.144(7) Uani 1 1 d DG U . . .
O20N O 0.3581(7) 1.3136(4) 0.0681(4) 0.137(7) Uani 1 1 d DG U . . .
O21N O 0.4122(5) 1.2487(7) 0.0450(4) 0.149(7) Uani 1 1 d DG U . . .
O11N O 0.2162(8) 1.1718(7) -0.0159(5) 0.085(5) Uani 1 1 d . U . . .
O22N O 0.1098(8) 1.1971(7) 0.0948(5) 0.084(6) Uani 1 1 d . U . . .
N8N N 0.3058(10) 1.1665(10) -0.0593(7) 0.098(7) Uani 1 1 d . U . . .
N9N N 0.3100(10) 1.1848(9) -0.0305(6) 0.087(6) Uani 1 1 d . U . . .
N24N N 0.1483(10) 1.2275(9) 0.1337(6) 0.088(6) Uani 1 1 d . U . . .
N25N N 0.0937(11) 1.2254(9) 0.1539(7) 0.091(7) Uani 1 1 d . U . . .
N1N N 0.2736(6) 1.1317(6) -0.1087(4) 0.101(7) Uani 1 1 d G U . . .
C2N C 0.2578(7) 1.1127(7) -0.1333(5) 0.113(9) Uani 1 1 d G U . . .
H2N H 0.2194 1.1058 -0.1308 0.136 Uiso 1 1 calc R U . . .
C3N C 0.2950(9) 1.1026(7) -0.1621(5) 0.123(9) Uani 1 1 d G U . . .
H3N H 0.2823 1.0876 -0.1784 0.147 Uiso 1 1 calc R U . . .
C4N C 0.3500(9) 1.1141(8) -0.1672(5) 0.131(10) Uani 1 1 d G U . . .
H4N H 0.3761 1.1081 -0.1874 0.157 Uiso 1 1 calc R U . . .
C5N C 0.3674(6) 1.1349(8) -0.1423(5) 0.136(10) Uani 1 1 d G U . . .
H5N H 0.4055 1.1431 -0.1450 0.163 Uiso 1 1 calc R U . . .
C6N C 0.3280(7) 1.1431(5) -0.1139(4) 0.109(8) Uani 1 1 d G U . . .
C7N C 0.3457(10) 1.1632(9) -0.0859(5) 0.105(8) Uani 1 1 d G U . . .
H7N H 0.3832 1.1727 -0.0876 0.126 Uiso 1 1 calc R U . . .
C10N C 0.2619(13) 1.1814(9) -0.0068(8) 0.084(7) Uani 1 1 d . U . . .
C12N C 0.2617(7) 1.1992(5) 0.0250(4) 0.085(7) Uani 1 1 d G U . . .
C13N C 0.3095(5) 1.2172(5) 0.0318(4) 0.088(7) Uani 1 1 d G U . . .
H13N H 0.3442 1.2183 0.0151 0.106 Uiso 1 1 calc R U . . .
C14N C 0.3065(5) 1.2337(5) 0.0630(5) 0.097(7) Uani 1 1 d DG U . . .
C15N C 0.2557(7) 1.2322(6) 0.0873(4) 0.095(7) Uani 1 1 d G U . . .
H15N H 0.2537 1.2434 0.1086 0.114 Uiso 1 1 calc R U . . .
C16N C 0.2079(5) 1.2141(6) 0.0806(4) 0.077(6) Uani 1 1 d G U . . .
C17N C 0.2109(5) 1.1976(5) 0.0494(5) 0.079(7) Uani 1 1 d G U . . .
H17N H 0.1783 1.1853 0.0448 0.095 Uiso 1 1 calc R U . . .
C23N C 0.1483(13) 1.2110(10) 0.1040(8) 0.080(7) Uani 1 1 d . U . . .
C26N C 0.0821(6) 1.2371(8) 0.1850(6) 0.100(8) Uani 1 1 d G U . . .
H26N H 0.1093 1.2496 0.1947 0.119 Uiso 1 1 calc R U . . .
C27N C 0.0224(6) 1.2291(5) 0.2039(4) 0.090(7) Uani 1 1 d G U . . .
C28N C 0.0053(7) 1.2385(6) 0.2374(4) 0.094(7) Uani 1 1 d G U . . .
H28N H 0.0313 1.2487 0.2491 0.113 Uiso 1 1 calc R U . . .
C29N C -0.0510(8) 1.2328(7) 0.2537(4) 0.106(8) Uani 1 1 d G U . . .
H29N H -0.0643 1.2387 0.2771 0.127 Uiso 1 1 calc R U . . .
C30N C -0.0867(6) 1.2185(6) 0.2357(5) 0.098(8) Uani 1 1 d G U . . .
H30N H -0.1254 1.2152 0.2461 0.117 Uiso 1 1 calc R U . . .
C31N C -0.0665(6) 1.2088(6) 0.2025(5) 0.089(7) Uani 1 1 d G U . . .
H31N H -0.0918 1.1974 0.1908 0.107 Uiso 1 1 calc R U . . .
N32N N -0.0127(7) 1.2149(5) 0.1859(3) 0.085(6) Uani 1 1 d G U . . .
S18O S -0.0952(3) 0.9263(3) 0.1326(2) 0.096(3) Uani 1 1 d DG U . . .
O19O O -0.0889(6) 0.9593(5) 0.0945(2) 0.106(6) Uani 1 1 d DG U . . .
O20O O -0.1520(4) 0.9190(6) 0.1529(4) 0.121(6) Uani 1 1 d DG U . . .
O21O O -0.0669(6) 0.8759(4) 0.1370(4) 0.117(6) Uani 1 1 d DG U . . .
O11O O 0.0208(7) 1.1216(6) 0.1560(4) 0.072(5) Uani 1 1 d . U . . .
O22O O 0.0510(8) 0.9599(7) 0.2431(5) 0.083(6) Uani 1 1 d . U . . .
N8O N -0.0229(9) 1.1854(9) 0.1055(5) 0.069(6) Uani 1 1 d . U . . .
N9O N -0.0371(8) 1.1328(8) 0.1151(5) 0.063(5) Uani 1 1 d . U . . .
N24O N 0.0060(10) 0.8796(9) 0.2519(6) 0.086(7) Uani 1 1 d . U . . .
N25O N 0.0374(10) 0.8607(9) 0.2796(6) 0.089(7) Uani 1 1 d . U . . .
N1O N 0.0131(7) 1.2830(6) 0.0958(4) 0.098(7) Uani 1 1 d G U . . .
C2O C 0.0292(7) 1.3330(7) 0.0913(5) 0.117(9) Uani 1 1 d G U . . .
H2O H 0.0528 1.3383 0.1065 0.141 Uiso 1 1 calc R U . . .
C3O C 0.0130(8) 1.3772(6) 0.0655(6) 0.135(10) Uani 1 1 d G U . . .
H3O H 0.0240 1.4123 0.0639 0.161 Uiso 1 1 calc R U . . .
C4O C -0.0189(9) 1.3707(6) 0.0424(5) 0.131(10) Uani 1 1 d G U . . .
H4O H -0.0297 1.4010 0.0240 0.157 Uiso 1 1 calc R U . . .
C5O C -0.0355(7) 1.3190(7) 0.0461(4) 0.119(9) Uani 1 1 d G U . . .
H5O H -0.0580 1.3130 0.0305 0.143 Uiso 1 1 calc R U . . .
C6O C -0.0185(6) 1.2767(5) 0.0729(4) 0.094(8) Uani 1 1 d G U . . .
C7O C -0.0375(9) 1.2211(6) 0.0785(6) 0.088(8) Uani 1 1 d G U . . .
H7O H -0.0589 1.2131 0.0631 0.106 Uiso 1 1 calc R U . . .
C10O C -0.0124(9) 1.1024(10) 0.1434(6) 0.059(6) Uani 1 1 d . U . . .
C12O C -0.0235(5) 1.0437(4) 0.1559(4) 0.059(6) Uani 1 1 d G U . . .
C13O C -0.0529(5) 1.0169(6) 0.1397(3) 0.067(7) Uani 1 1 d G U . . .
H13O H -0.0675 1.0365 0.1185 0.080 Uiso 1 1 calc R U . . .
C14O C -0.0610(5) 0.9613(6) 0.1545(4) 0.069(6) Uani 1 1 d DG U . . .
C15O C -0.0397(6) 0.9326(4) 0.1855(4) 0.073(7) Uani 1 1 d G U . . .
H15O H -0.0452 0.8947 0.1957 0.088 Uiso 1 1 calc R U . . .
C16O C -0.0102(6) 0.9595(6) 0.2018(3) 0.069(6) Uani 1 1 d G U . . .
C17O C -0.0021(5) 1.0150(6) 0.1870(4) 0.059(6) Uani 1 1 d G U . . .
H17O H 0.0180 1.0333 0.1981 0.070 Uiso 1 1 calc R U . . .
C23O C 0.0179(11) 0.9322(11) 0.2338(7) 0.075(7) Uani 1 1 d . U . . .
C26O C 0.0333(7) 0.8115(8) 0.2996(5) 0.092(8) Uani 1 1 d G U . . .
H26O H 0.0090 0.7857 0.2978 0.110 Uiso 1 1 calc R U . . .
C27O C 0.0712(5) 0.7994(5) 0.3263(3) 0.070(7) Uani 1 1 d G U . . .
C28O C 0.0724(7) 0.7481(5) 0.3503(4) 0.082(8) Uani 1 1 d G U . . .
H28O H 0.0482 0.7206 0.3507 0.099 Uiso 1 1 calc R U . . .
C29O C 0.1098(8) 0.7374(5) 0.3739(4) 0.102(9) Uani 1 1 d G U . . .
H29O H 0.1116 0.7024 0.3910 0.123 Uiso 1 1 calc R U . . .
C30O C 0.1438(6) 0.7781(7) 0.3721(4) 0.092(8) Uani 1 1 d G U . . .
H30O H 0.1703 0.7715 0.3876 0.110 Uiso 1 1 calc R U . . .
C31O C 0.1398(6) 0.8288(6) 0.3479(4) 0.081(8) Uani 1 1 d G U . . .
H31O H 0.1628 0.8570 0.3477 0.098 Uiso 1 1 calc R U . . .
N32O N 0.1048(6) 0.8399(5) 0.3244(4) 0.074(6) Uani 1 1 d G U . . .
S18P S 0.3964(4) 1.0583(4) 0.2040(3) 0.148(4) Uani 1 1 d DG U . . .
O19P O 0.3991(8) 1.0482(7) 0.2421(3) 0.159(8) Uani 1 1 d DG U . . .
O20P O 0.3734(7) 1.1094(5) 0.1876(5) 0.166(8) Uani 1 1 d DG U . . .
O21P O 0.4484(5) 1.0497(7) 0.1811(5) 0.160(8) Uani 1 1 d DG U . . .
O11P O 0.1648(8) 0.9271(8) 0.2485(5) 0.095(6) Uani 1 1 d . U . . .
O22P O 0.2845(8) 0.8964(8) 0.1457(5) 0.093(6) Uani 1 1 d . U . . .
N8P N 0.1370(11) 0.9667(9) 0.2995(7) 0.092(6) Uani 1 1 d . U . . .
N9P N 0.1907(12) 0.9773(10) 0.2804(7) 0.102(7) Uani 1 1 d . U . . .
N24P N 0.3773(10) 0.9235(10) 0.1236(7) 0.100(7) Uani 1 1 d . U . . .
N25P N 0.3774(11) 0.8916(11) 0.1017(8) 0.116(8) Uani 1 1 d . U . . .
N1P N 0.0326(7) 0.9452(5) 0.3305(4) 0.088(6) Uani 1 1 d G U . . .
C2P C -0.0215(7) 0.9358(6) 0.3456(5) 0.096(8) Uani 1 1 d G U . . .
H2P H -0.0420 0.9137 0.3374 0.115 Uiso 1 1 calc R U . . .
C3P C -0.0488(6) 0.9570(7) 0.3725(5) 0.106(9) Uani 1 1 d G U . . .
H3P H -0.0877 0.9506 0.3818 0.127 Uiso 1 1 calc R U . . .
C4P C -0.0201(8) 0.9870(7) 0.3859(4) 0.111(9) Uani 1 1 d G U . . .
H4P H -0.0384 1.0011 0.4049 0.133 Uiso 1 1 calc R U . . .
C5P C 0.0365(8) 0.9966(6) 0.3711(4) 0.098(8) Uani 1 1 d G U . . .
H5P H 0.0577 1.0177 0.3796 0.118 Uiso 1 1 calc R U . . .
C6P C 0.0608(6) 0.9750(5) 0.3439(4) 0.096(7) Uani 1 1 d G U . . .
C7P C 0.1208(6) 0.9864(8) 0.3264(6) 0.094(7) Uani 1 1 d G U . . .
H7P H 0.1446 1.0062 0.3343 0.113 Uiso 1 1 calc R U . . .
C10P C 0.2041(13) 0.9566(10) 0.2543(8) 0.085(7) Uani 1 1 d . U . . .
C12P C 0.2574(5) 0.9663(6) 0.2275(4) 0.097(7) Uani 1 1 d G U . . .
C13P C 0.2965(8) 1.0014(6) 0.2294(4) 0.108(8) Uani 1 1 d G U . . .
H13P H 0.2885 1.0190 0.2478 0.130 Uiso 1 1 calc R U . . .
C14P C 0.3475(7) 1.0110(5) 0.2042(5) 0.110(7) Uani 1 1 d DG U . . .
C15P C 0.3593(6) 0.9853(7) 0.1772(4) 0.116(9) Uani 1 1 d G U . . .
H15P H 0.3941 0.9918 0.1600 0.140 Uiso 1 1 calc R U . . .
C16P C 0.3201(9) 0.9501(6) 0.1754(4) 0.089(7) Uani 1 1 d G U . . .
C17P C 0.2691(7) 0.9406(5) 0.2005(5) 0.093(7) Uani 1 1 d G U . . .
H17P H 0.2423 0.9166 0.1993 0.111 Uiso 1 1 calc R U . . .
C23P C 0.3268(14) 0.9197(12) 0.1473(8) 0.093(7) Uani 1 1 d . U . . .
C26P C 0.4196(12) 0.8848(9) 0.0767(7) 0.129(10) Uani 1 1 d G U . . .
H26P H 0.4547 0.9025 0.0713 0.155 Uiso 1 1 calc R U . . .
C27P C 0.4078(7) 0.8470(6) 0.0575(4) 0.143(10) Uani 1 1 d G U . . .
C28P C 0.4495(7) 0.8349(9) 0.0319(6) 0.160(11) Uani 1 1 d G U . . .
H28P H 0.4854 0.8515 0.0256 0.192 Uiso 1 1 calc R U . . .
C29P C 0.4379(10) 0.7979(10) 0.0154(6) 0.173(12) Uani 1 1 d G U . . .
H29P H 0.4657 0.7887 -0.0026 0.208 Uiso 1 1 calc R U . . .
C30P C 0.3860(12) 0.7749(8) 0.0256(6) 0.168(12) Uani 1 1 d G U . . .
H30P H 0.3774 0.7489 0.0151 0.202 Uiso 1 1 calc R U . . .
C31P C 0.3460(8) 0.7895(8) 0.0510(6) 0.140(11) Uani 1 1 d G U . . .
H31P H 0.3095 0.7743 0.0570 0.168 Uiso 1 1 calc R U . . .
N32P N 0.3563(7) 0.8244(8) 0.0677(5) 0.111(7) Uani 1 1 d G U . . .
Zn1Z Zn 0.3014(3) 0.5702(3) 0.35637(18) 0.067(2) Uani 0.4 1 d G U P A 1
O2Z O 0.2545(5) 0.6322(4) 0.3667(5) 0.050(7) Uani 0.4 1 d G U P A 1
O3Z O 0.2745(6) 0.5870(7) 0.3071(3) 0.059(7) Uani 0.4 1 d G U P A 1
O4Z O 0.3439(6) 0.5053(4) 0.3472(5) 0.069(7) Uani 0.4 1 d G U P A 1
O5Z O 0.3260(6) 0.5513(7) 0.4065(2) 0.068(8) Uani 0.4 1 d G U P A 1
O6Z O 0.2325(4) 0.5196(5) 0.3830(4) 0.071(7) Uani 0.4 1 d G U P A 1
O1Z O 0.3694(4) 0.6200(4) 0.3303(3) 0.068(6) Uani 0.4 1 d G U P A 1
N1Z N 0.4399(6) 0.6720(8) 0.2871(5) 0.068(7) Uani 0.4 1 d G U P A 1
C1Z C 0.3994(5) 0.6354(6) 0.2981(4) 0.068(7) Uani 0.4 1 d G U P A 1
H1Z H 0.3926 0.6196 0.2804 0.082 Uiso 0.4 1 calc R U P A 1
C2Z C 0.4535(8) 0.6981(8) 0.3124(7) 0.069(10) Uani 0.4 1 d G U P A 1
H2Z1 H 0.4846 0.7240 0.2991 0.104 Uiso 0.4 1 calc R U P A 1
H2Z2 H 0.4640 0.6710 0.3339 0.104 Uiso 0.4 1 calc R U P A 1
H2Z3 H 0.4211 0.7170 0.3211 0.104 Uiso 0.4 1 calc R U P A 1
C3Z C 0.4739(8) 0.6875(10) 0.2493(6) 0.062(10) Uani 0.4 1 d G U P A 1
H3Z1 H 0.5016 0.7151 0.2464 0.093 Uiso 0.4 1 calc R U P A 1
H3Z2 H 0.4503 0.7019 0.2311 0.093 Uiso 0.4 1 calc R U P A 1
H3Z3 H 0.4929 0.6560 0.2448 0.093 Uiso 0.4 1 calc R U P A 1
O7Z O 0.268(3) 0.500(3) 0.3722(17) 0.071(5) Uiso 0.25 1 d . U P B 2
C1S C 0.2252(16) 0.8730(15) 0.4926(10) 0.079(7) Uani 0.4 1 d G U P C 1
H1S H 0.2226 0.9063 0.4975 0.094 Uiso 0.4 1 calc R U P C 1
C2S C 0.2790(18) 0.816(2) 0.4664(17) 0.077(9) Uani 0.4 1 d G U P C 1
H2S1 H 0.3166 0.8172 0.4514 0.115 Uiso 0.4 1 calc R U P C 1
H2S2 H 0.2519 0.8104 0.4526 0.115 Uiso 0.4 1 calc R U P C 1
H2S3 H 0.2752 0.7866 0.4902 0.115 Uiso 0.4 1 calc R U P C 1
C3S C 0.314(2) 0.907(2) 0.4586(16) 0.074(8) Uani 0.4 1 d G U P C 1
H3S1 H 0.3456 0.8933 0.4449 0.111 Uiso 0.4 1 calc R U P C 1
H3S2 H 0.3246 0.9161 0.4791 0.111 Uiso 0.4 1 calc R U P C 1
H3S3 H 0.3012 0.9398 0.4415 0.111 Uiso 0.4 1 calc R U P C 1
N1S N 0.2687(14) 0.8668(16) 0.4739(9) 0.076(7) Uani 0.4 1 d G U P C 1
O1S O 0.1810(14) 0.8422(17) 0.5072(11) 0.089(9) Uani 0.4 1 d G U P C 1
C4S C 0.2891(19) 0.9029(17) 0.4653(12) 0.077(7) Uani 0.35 1 d G U P D 2
H4S H 0.2857 0.9342 0.4727 0.093 Uiso 0.35 1 calc R U P D 2
C5S C 0.251(2) 0.816(2) 0.4712(19) 0.080(8) Uani 0.35 1 d G U P D 2
H5S1 H 0.2187 0.7931 0.4857 0.120 Uiso 0.35 1 calc R U P D 2
H5S2 H 0.2852 0.7970 0.4767 0.120 Uiso 0.35 1 calc R U P D 2
H5S3 H 0.2521 0.8252 0.4444 0.120 Uiso 0.35 1 calc R U P D 2
C6S C 0.202(2) 0.870(3) 0.5092(17) 0.078(9) Uani 0.35 1 d G U P D 2
H6S1 H 0.1770 0.8385 0.5175 0.117 Uiso 0.35 1 calc R U P D 2
H6S2 H 0.1813 0.9024 0.4983 0.117 Uiso 0.35 1 calc R U P D 2
H6S3 H 0.2144 0.8741 0.5307 0.117 Uiso 0.35 1 calc R U P D 2
N2S N 0.2493(16) 0.8651(18) 0.4811(11) 0.078(7) Uani 0.35 1 d G U P D 2
O2S O 0.3305(18) 0.8999(19) 0.4413(12) 0.083(9) Uani 0.35 1 d G U P D 2
C1T C 0.3118(13) 0.8090(10) 0.7830(8) 0.073(4) Uani 0.5 1 d G U P E 1
H1T H 0.2992 0.7798 0.7770 0.088 Uiso 0.5 1 calc R U P E 1
C2T C 0.3274(18) 0.9049(11) 0.7671(10) 0.071(8) Uani 0.5 1 d G U P E 1
H2T1 H 0.3221 0.9376 0.7469 0.107 Uiso 0.5 1 calc R U P E 1
H2T2 H 0.3668 0.9020 0.7681 0.107 Uiso 0.5 1 calc R U P E 1
H2T3 H 0.3056 0.9066 0.7910 0.107 Uiso 0.5 1 calc R U P E 1
C3T C 0.2874(17) 0.8681(15) 0.7259(8) 0.084(9) Uani 0.5 1 d G U P E 1
H3T1 H 0.2887 0.9068 0.7126 0.126 Uiso 0.5 1 calc R U P E 1
H3T2 H 0.2489 0.8543 0.7326 0.126 Uiso 0.5 1 calc R U P E 1
H3T3 H 0.3101 0.8497 0.7097 0.126 Uiso 0.5 1 calc R U P E 1
N1T N 0.3089(9) 0.8582(10) 0.7598(6) 0.075(5) Uani 0.5 1 d G U P E 1
O1T O 0.3300(17) 0.7986(14) 0.8121(9) 0.073(4) Uani 0.5 1 d G U P E 1
O2T O 0.317(2) 0.800(2) 0.8062(13) 0.073(4) Uani 0.4 1 d . U P F 2
C1U C -0.2381(12) 0.7254(13) 0.3827(7) 0.099(13) Uani 0.5 1 d G U P G 1
H1U H -0.2416 0.7041 0.3675 0.118 Uiso 0.5 1 calc R U P G 1
C2U C -0.2061(17) 0.7345(15) 0.4356(9) 0.086(13) Uani 0.5 1 d G U P G 1
H2U1 H -0.1869 0.7125 0.4549 0.129 Uiso 0.5 1 calc R U P G 1
H2U2 H -0.2426 0.7437 0.4476 0.129 Uiso 0.5 1 calc R U P G 1
H2U3 H -0.1840 0.7675 0.4209 0.129 Uiso 0.5 1 calc R U P G 1
C3U C -0.1917(17) 0.6503(13) 0.4194(12) 0.104(14) Uani 0.5 1 d G U P G 1
H3U1 H -0.1749 0.6422 0.4413 0.156 Uiso 0.5 1 calc R U P G 1
H3U2 H -0.1636 0.6480 0.3978 0.156 Uiso 0.5 1 calc R U P G 1
H3U3 H -0.2222 0.6243 0.4245 0.156 Uiso 0.5 1 calc R U P G 1
N1U N -0.2132(10) 0.7044(11) 0.4112(7) 0.102(12) Uani 0.5 1 d G U P G 1
O1U O -0.2571(14) 0.7711(14) 0.3747(9) 0.127(13) Uani 0.5 1 d G U P G 1
O2U O -0.272(2) 0.739(2) 0.3339(14) 0.052(17) Uiso 0.25 1 d . . P H 2
O1W O 0.5216(8) 0.9540(7) 0.5249(5) 0.099(7) Uani 1 1 d . U . . .
O2W O -0.1116(8) 1.1162(8) 0.0740(5) 0.099(6) Uani 1 1 d . U . . .
O3W O 0.0731(9) 0.5319(8) 0.8743(6) 0.127(8) Uani 1 1 d . U . . .
O4W O 0.0669(9) 0.6332(8) 0.8254(5) 0.115(7) Uani 1 1 d . U . . .
O5W O 0.1029(9) 0.7610(9) 0.1183(6) 0.129(8) Uani 1 1 d . U . . .
O6W O -0.0161(9) 0.7831(8) 0.2310(6) 0.122(8) Uani 1 1 d . U . . .
O7W O 0.2243(10) 1.2510(10) 0.1725(7) 0.154(9) Uani 1 1 d . U . . .
O8W O -0.1859(10) 1.0268(10) 0.0899(6) 0.141(9) Uani 1 1 d . U . . .
O9W O 0.0074(12) 0.7880(11) 0.1591(8) 0.188(11) Uani 1 1 d . U . . .
O10W O 0.0824(12) 0.4436(11) 0.8438(8) 0.176(11) Uani 1 1 d . U . . .
O11W O -0.0123(12) 0.9913(12) 0.4686(7) 0.054(9) Uani 0.5 1 d . U P . .
O12W O 0.5402(12) 1.0015(12) 0.4204(7) 0.057(9) Uani 0.5 1 d . U P . .
O13W O 0.3115(18) 0.7688(17) 0.6781(11) 0.117(14) Uani 0.5 1 d . U P . .
O14W O 0.6637(14) 0.8950(12) 0.6397(9) 0.076(10) Uani 0.5 1 d . U P . .
O15W O -0.0050(15) 0.3690(14) 0.8741(9) 0.084(11) Uani 0.5 1 d . U P . .
O16W O 0.1383(15) 0.8257(13) 0.6192(9) 0.071(9) Uani 0.5 1 d . U P . .
O17W O 0.6172(15) 0.3272(13) 0.8734(9) 0.081(11) Uani 0.5 1 d . U P . .
O18W O 0.3431(15) 1.1414(14) -0.2587(8) 0.081(11) Uani 0.5 1 d . U P . .
O19W O 0.4222(13) 0.3301(13) 0.9691(8) 0.071(10) Uani 0.5 1 d . U P . .
O20W O 0.6241(14) 0.9738(13) 0.5314(9) 0.072(10) Uani 0.5 1 d . U P . .
O21W O 0.0527(15) 0.7262(14) 0.0708(10) 0.092(12) Uani 0.5 1 d . U P . .
O22W O 0.0918(14) 0.4745(13) 0.7658(10) 0.084(11) Uani 0.5 1 d . U P . .
O23W O -0.2650(15) 0.8270(14) 0.3006(10) 0.090(12) Uani 0.5 1 d . U P . .
O24W O 0.2312(15) 0.7274(13) 0.7576(10) 0.084(11) Uani 0.5 1 d . U P . .
O25W O 0.585(2) 0.868(2) 0.0100(15) 0.148(18) Uani 0.5 1 d . U P . .
O26W O 0.0541(15) 1.3782(14) 0.1601(9) 0.088(12) Uani 0.5 1 d . U P . .
O27W O -0.0168(14) 0.6767(13) 0.1799(9) 0.074(10) Uani 0.5 1 d . U P . .
O28W O -0.0123(16) 0.6155(15) 0.2519(10) 0.097(13) Uani 0.5 1 d . U P . .
O29W O 0.0300(18) 1.0972(17) 0.4368(11) 0.122(15) Uani 0.5 1 d . U P . .
O30W O 0.1755(19) 1.1034(17) 0.3370(11) 0.118(14) Uani 0.5 1 d . U P . .
O31W O 0.5733(16) 0.7814(15) 0.2581(11) 0.107(13) Uani 0.5 1 d . U P . .
O32W O 0.6932(18) 0.9064(18) 0.5563(11) 0.126(15) Uani 0.5 1 d . U P . .
O33W O 0.7733(18) 0.9152(16) 0.7236(11) 0.116(14) Uani 0.5 1 d . U P . .
O34W O 0.3708(19) 0.8635(16) 0.6405(11) 0.118(14) Uani 0.5 1 d . U P . .
O35W O 0.295(2) 1.1531(19) 0.1926(14) 0.127(16) Uani 0.5 1 d . U P . .
O36W O 0.4601(16) 1.1771(16) 0.1344(10) 0.110(14) Uani 0.5 1 d . U P . .
O37W O 0.709(2) 0.5628(18) 0.8793(12) 0.134(16) Uani 0.5 1 d . U P . .
O38W O 0.141(2) 0.6069(19) 0.3977(13) 0.146(17) Uani 0.5 1 d . U P . .
O39W O 0.688(2) 0.9469(18) 0.6828(12) 0.133(16) Uani 0.5 1 d . U P . .
O40W O 0.438(2) 0.945(2) 0.4301(13) 0.149(18) Uani 0.5 1 d . U P . .
O41W O 0.2659(19) 1.1558(17) 0.2205(13) 0.110(14) Uani 0.5 1 d . U P . .
O42W O 0.132(2) 0.9978(18) 0.5424(12) 0.134(16) Uani 0.5 1 d . U P . .
O43W O 0.197(2) 0.792(2) 0.6354(14) 0.160(16) Uani 0.5 1 d . U P . .
O44W O 0.164(2) 0.7883(19) 0.5829(13) 0.151(18) Uani 0.5 1 d . U P . .
O45W O 0.578(2) 0.829(2) 0.0208(13) 0.123(15) Uani 0.5 1 d . U P . .
O46W O 0.6335(19) 0.4995(18) 0.8794(11) 0.122(15) Uani 0.5 1 d . U P . .
O47W O 0.6893(12) 0.6727(11) 0.8585(7) 0.052(9) Uani 0.5 1 d . U P . .
O48W O 0.171(3) 0.965(3) 0.575(2) 0.10(3) Uiso 0.25 1 d . . P . .
O49W O 0.278(3) 0.679(2) 0.1025(15) 0.061(18) Uiso 0.25 1 d . . P . .
O50W O 0.762(3) 0.800(2) 0.7138(16) 0.065(19) Uiso 0.25 1 d . . P . .
O51W O -0.048(3) 0.502(2) 1.0019(15) 0.059(18) Uiso 0.25 1 d . . P . .
O52W O 0.082(3) 0.870(3) 0.5416(18) 0.08(2) Uiso 0.25 1 d . . P . .
O53W O 0.001(3) 0.460(2) 0.3796(15) 0.060(18) Uiso 0.25 1 d . . P . .
O54W O 0.456(3) 0.990(3) -0.261(2) 0.10(3) Uiso 0.25 1 d . . P . .
O55W O -0.116(3) 1.264(3) -0.002(2) 0.10(3) Uiso 0.25 1 d . . P . .
O56W O -0.129(3) 0.351(3) 0.825(2) 0.10(3) Uiso 0.25 1 d . . P . .
O57W O -0.301(4) 1.040(3) 0.132(2) 0.12(3) Uiso 0.25 1 d . . P . .
O58W O 0.129(4) 0.892(3) 0.632(2) 0.12(3) Uiso 0.25 1 d . . P . .
O59W O 0.064(3) 0.752(3) 0.6481(19) 0.09(2) Uiso 0.25 1 d . . P . .
O60W O 0.336(4) 0.969(3) -0.037(2) 0.11(3) Uiso 0.25 1 d . . P . .
O61W O 0.024(3) 1.511(3) 0.068(2) 0.11(3) Uiso 0.25 1 d . . P . .
O62W O -0.019(3) 0.598(3) 0.664(2) 0.11(3) Uiso 0.25 1 d . . P . .
O63W O -0.009(3) 0.574(3) 0.3556(16) 0.07(2) Uiso 0.25 1 d . . P . .
O64W O 0.396(3) 0.610(3) 1.085(2) 0.10(3) Uiso 0.25 1 d . . P . .
O65W O 0.101(3) 0.842(3) 0.6046(18) 0.08(2) Uiso 0.25 1 d . . P . .
O66W O 0.374(3) 1.036(3) -0.2345(17) 0.08(2) Uiso 0.25 1 d . . P . .
O67W O 0.468(3) 0.658(2) 1.0676(16) 0.063(19) Uiso 0.25 1 d . . P . .
O68W O 0.154(3) 0.572(3) 0.986(2) 0.11(3) Uiso 0.25 1 d . . P . .
O69W O 0.544(3) 0.846(2) -0.0492(15) 0.061(18) Uiso 0.25 1 d . . P . .
O70W O 0.494(3) 0.909(2) 0.1335(15) 0.057(18) Uiso 0.25 1 d . . P . .
O71W O 0.149(3) 1.325(3) 0.210(2) 0.10(3) Uiso 0.25 1 d . . P . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 N25D 1.98(2) . ?
Cu1 N32D 2.037(12) . ?
Cu1 O22D 2.040(16) . ?
Cu1 N8A 2.09(2) . ?
Cu1 N1A 2.254(12) . ?
Cu1 O11A 2.308(18) . ?
Cu2 N25A 1.84(2) . ?
Cu2 N8B 1.98(2) . ?
Cu2 N1B 2.015(14) . ?
Cu2 N32A 2.022(13) . ?
Cu3 N8C 1.97(2) . ?
Cu3 O11C 2.074(15) . ?
Cu3 N25B 2.08(2) . ?
Cu3 N1C 2.089(14) . ?
Cu3 N32B 2.231(14) . ?
Cu3 O22B 2.308(19) . ?
Cu4 N25C 1.99(2) . ?
Cu4 O22C 2.019(18) . ?
Cu4 N8D 2.05(2) . ?
Cu4 N32C 2.116(14) . ?
Cu4 O11D 2.276(17) . ?
Cu4 N1D 2.280(13) . ?
Zn5 N25H 1.99(2) . ?
Zn5 N8E 2.05(3) . ?
Zn5 N32H 2.144(13) . ?
Zn5 O22H 2.150(18) . ?
Zn5 O11E 2.167(19) . ?
Zn5 N1E 2.191(13) . ?
Zn6 N25E 2.06(3) . ?
Zn6 N8F 2.10(2) . ?
Zn6 O11F 2.139(17) . ?
Zn6 O22E 2.17(2) . ?
Zn6 N32E 2.188(17) . ?
Zn6 N1F 2.218(13) . ?
Cu7 N8G 1.91(2) . ?
Cu7 N1G 2.011(16) . ?
Cu7 N25F 2.01(2) . ?
Cu7 O11G 2.054(19) . ?
Cu7 N32F 2.257(14) . ?
Cu7 O22F 2.389(18) . ?
Zn8 N25G 2.06(2) . ?
Zn8 N8H 2.07(2) . ?
Zn8 O11H 2.164(17) . ?
Zn8 O22G 2.168(19) . ?
Zn8 N32G 2.169(13) . ?
Zn8 N1H 2.171(12) . ?
Cu9 N25L 1.96(3) . ?
Cu9 N8I 2.03(3) . ?
Cu9 O22L 2.07(2) . ?
Cu9 N32L 2.070(19) . ?
Cu9 O11I 2.21(2) . ?
Cu9 N1I 2.268(15) . ?
Cu10 N8J 1.94(3) . ?
Cu10 N32I 2.003(14) . ?
Cu10 N1J 2.010(16) . ?
Cu10 N25I 2.04(3) . ?
Cu11 N8K 1.95(2) . ?
Cu11 O11K 2.076(19) . ?
Cu11 N1K 2.106(14) . ?
Cu11 N25J 2.12(3) . ?
Cu11 O22J 2.20(2) . ?
Cu11 N32J 2.254(15) . ?
Cu12 N25K 1.91(3) . ?
Cu12 N8L 2.06(3) . ?
Cu12 N32K 2.065(16) . ?
Cu12 O22K 2.070(18) . ?
Cu12 O11L 2.240(19) . ?
Cu12 N1L 2.289(18) . ?
Zn13 N25P 2.04(3) . ?
Zn13 N8M 2.05(2) . ?
Zn13 O22P 2.08(2) . ?
Zn13 N32P 2.131(18) . ?
Zn13 N1M 2.165(15) . ?
Zn13 O11M 2.296(19) . ?
Cu14 N8N 1.99(2) . ?
Cu14 O11N 2.003(18) . ?
Cu14 N25M 2.06(2) . ?
Cu14 N1N 2.083(15) . ?
Cu14 N32M 2.263(14) . ?
Cu14 O22M 2.319(17) . ?
Zn15 N8O 2.04(2) . ?
Zn15 N25N 2.04(2) . ?
Zn15 N1O 2.120(15) . ?
Zn15 O11O 2.146(16) . ?
Zn15 N32N 2.187(14) . ?
Zn15 O22N 2.228(19) . ?
Zn16 N8P 2.06(2) . ?
Zn16 N25O 2.07(2) . ?
Zn16 O22O 2.088(17) . ?
Zn16 O11P 2.12(2) . ?
Zn16 N32O 2.136(12) . ?
Zn16 N1P 2.237(15) . ?
S18A O19A 1.4233 . ?
S18A O20A 1.4369 . ?
S18A O21A 1.4487 . ?
S18A C14A 1.773(8) . ?
O11A C10A 1.28(3) . ?
O22A C23A 1.25(3) . ?
N8A C7A 1.26(2) . ?
N8A N9A 1.34(2) . ?
N9A C10A 1.35(3) . ?
N9A H9A 0.8800 . ?
N24A C23A 1.35(3) . ?
N24A N25A 1.44(2) . ?
N24A H24A 0.8800 . ?
N25A C26A 1.39(3) . ?
N1A C2A 1.3353 . ?
N1A C6A 1.3459 . ?
C2A C3A 1.3718 . ?
C2A H2A 0.9500 . ?
C3A C4A 1.3599 . ?
C3A H3A 0.9500 . ?
C4A C5A 1.3892 . ?
C4A H4A 0.9500 . ?
C5A C6A 1.3699 . ?
C5A H5A 0.9500 . ?
C6A C7A 1.4866 . ?
C7A H7A 0.9500 . ?
C10A C12A 1.49(3) . ?
C12A C13A 1.3900 . ?
C12A C17A 1.3900 . ?
C13A C14A 1.3900 . ?
C13A H13A 0.9500 . ?
C14A C15A 1.3900 . ?
C15A C16A 1.3900 . ?
C15A H15A 0.9500 . ?
C16A C17A 1.3900 . ?
C16A C23A 1.51(3) . ?
C17A H17A 0.9500 . ?
C26A C27A 1.4868 . ?
C26A H26A 0.9500 . ?
C27A N32A 1.3455 . ?
C27A C28A 1.3697 . ?
C28A C29A 1.3893 . ?
C28A H28A 0.9500 . ?
C29A C30A 1.3596 . ?
C29A H29A 0.9500 . ?
C30A C31A 1.3719 . ?
C30A H30A 0.9500 . ?
C31A N32A 1.3353 . ?
C31A H31A 0.9500 . ?
S18B O19B 1.4234 . ?
S18B O20B 1.4370 . ?
S18B O21B 1.4487 . ?
S18B C14B 1.769(8) . ?
O11B C10B 1.28(3) . ?
O22B C23B 1.19(3) . ?
N8B C7B 1.26(3) . ?
N8B N9B 1.39(3) . ?
N9B C10B 1.34(3) . ?
N9B H9B 0.8800 . ?
N24B N25B 1.37(3) . ?
N24B C23B 1.41(3) . ?
N25B C26B 1.29(3) . ?
N1B C2B 1.3351 . ?
N1B C6B 1.3454 . ?
C2B C3B 1.3722 . ?
C2B H2B 0.9500 . ?
C3B C4B 1.3595 . ?
C3B H3B 0.9500 . ?
C4B C5B 1.3889 . ?
C4B H4B 0.9500 . ?
C5B C6B 1.3702 . ?
C5B H5B 0.9500 . ?
C6B C7B 1.4865 . ?
C7B H7B 0.9500 . ?
C10B C12B 1.48(3) . ?
C12B C13B 1.3900 . ?
C12B C17B 1.3900 . ?
C13B C14B 1.3900 . ?
C13B H13B 0.9500 . ?
C14B C15B 1.3900 . ?
C15B C16B 1.3900 . ?
C15B H15B 0.9500 . ?
C16B C17B 1.3900 . ?
C16B C23B 1.47(3) . ?
C17B H17B 0.9500 . ?
C26B C27B 1.4868 . ?
C26B H26B 0.9500 . ?
C27B N32B 1.3452 . ?
C27B C28B 1.3699 . ?
C28B C29B 1.3893 . ?
C28B H28B 0.9500 . ?
C29B C30B 1.3593 . ?
C29B H29B 0.9500 . ?
C30B C31B 1.3719 . ?
C30B H30B 0.9500 . ?
C31B N32B 1.3355 . ?
C31B H31B 0.9500 . ?
S18C O19C 1.4229 . ?
S18C O20C 1.4374 . ?
S18C O21C 1.4486 . ?
S18C C14C 1.766(8) . ?
O11C C10C 1.30(3) . ?
O22C C23C 1.30(3) . ?
N8C C7C 1.29(3) . ?
N8C N9C 1.39(3) . ?
N9C C10C 1.37(3) . ?
N24C C23C 1.36(3) . ?
N24C N25C 1.38(3) . ?
N25C C26C 1.30(3) . ?
N1C C2C 1.3353 . ?
N1C C6C 1.3453 . ?
C2C C3C 1.3717 . ?
C2C H2C 0.9500 . ?
C3C C4C 1.3593 . ?
C3C H3C 0.9500 . ?
C4C C5C 1.3891 . ?
C4C H4C 0.9500 . ?
C5C C6C 1.3699 . ?
C5C H5C 0.9500 . ?
C6C C7C 1.4865 . ?
C7C H7C 0.9500 . ?
C10C C12C 1.45(3) . ?
C12C C13C 1.3900 . ?
C12C C17C 1.3900 . ?
C13C C14C 1.3900 . ?
C13C H13C 0.9500 . ?
C14C C15C 1.3900 . ?
C15C C16C 1.3900 . ?
C15C H15C 0.9500 . ?
C16C C17C 1.3900 . ?
C16C C23C 1.46(3) . ?
C17C H17C 0.9500 . ?
C26C C27C 1.4864 . ?
C26C H26C 0.9500 . ?
C27C N32C 1.3456 . ?
C27C C28C 1.3700 . ?
C28C C29C 1.3890 . ?
C28C H28C 0.9500 . ?
C29C C30C 1.3597 . ?
C29C H29C 0.9500 . ?
C30C C31C 1.3719 . ?
C30C H30C 0.9500 . ?
C31C N32C 1.3350 . ?
C31C H31C 0.9500 . ?
S18D O19D 1.4235 . ?
S18D O20D 1.4371 . ?
S18D O21D 1.4487 . ?
S18D C14D 1.770(8) . ?
O11D C10D 1.28(3) . ?
O22D C23D 1.24(3) . ?
N8D C7D 1.31(2) . ?
N8D N9D 1.36(3) . ?
N9D C10D 1.32(3) . ?
N24D C23D 1.34(3) . ?
N24D N25D 1.34(2) . ?
N25D C26D 1.27(2) . ?
N1D C2D 1.3356 . ?
N1D C6D 1.3455 . ?
C2D C3D 1.3719 . ?
C2D H2D 0.9500 . ?
C3D C4D 1.3596 . ?
C3D H3D 0.9500 . ?
C4D C5D 1.3895 . ?
C4D H4D 0.9500 . ?
C5D C6D 1.3698 . ?
C5D H5D 0.9500 . ?
C6D C7D 1.4870 . ?
C7D H7D 0.9500 . ?
C10D C12D 1.53(3) . ?
C12D C13D 1.3900 . ?
C12D C17D 1.3900 . ?
C13D C14D 1.3900 . ?
C13D H13D 0.9500 . ?
C14D C15D 1.3900 . ?
C15D C16D 1.3900 . ?
C15D H15D 0.9500 . ?
C16D C17D 1.3900 . ?
C16D C23D 1.51(3) . ?
C17D H17D 0.9500 . ?
C26D C27D 1.4862 . ?
C26D H26D 0.9500 . ?
C27D N32D 1.3458 . ?
C27D C28D 1.3700 . ?
C28D C29D 1.3887 . ?
C28D H28D 0.9500 . ?
C29D C30D 1.3600 . ?
C29D H29D 0.9500 . ?
C30D C31D 1.3720 . ?
C30D H30D 0.9500 . ?
C31D N32D 1.3350 . ?
C31D H31D 0.9500 . ?
S18E O19E 1.4234 . ?
S18E O20E 1.4370 . ?
S18E O21E 1.4486 . ?
S18E C14E 1.770(8) . ?
O11E C10E 1.24(3) . ?
O22E C23E 1.28(3) . ?
N8E N9E 1.31(3) . ?
N8E C7E 1.36(3) . ?
N9E C10E 1.39(4) . ?
N24E N25E 1.34(3) . ?
N24E C23E 1.35(3) . ?
N25E C26E 1.32(3) . ?
N1E C2E 1.3352 . ?
N1E C6E 1.3459 . ?
C2E C3E 1.3722 . ?
C2E H2E 0.9500 . ?
C3E C4E 1.3599 . ?
C3E H3E 0.9500 . ?
C4E C5E 1.3890 . ?
C4E H4E 0.9500 . ?
C5E C6E 1.3701 . ?
C5E H5E 0.9500 . ?
C6E C7E 1.4866 . ?
C7E H7E 0.9500 . ?
C10E C12E 1.48(3) . ?
C12E C13E 1.3900 . ?
C12E C17E 1.3900 . ?
C13E C14E 1.3900 . ?
C13E H13E 0.9500 . ?
C14E C15E 1.3900 . ?
C15E C16E 1.3900 . ?
C15E H15E 0.9500 . ?
C16E C17E 1.3900 . ?
C16E C23E 1.45(3) . ?
C17E H17E 0.9500 . ?
C26E C27E 1.4869 . ?
C26E H26E 0.9500 . ?
C27E N32E 1.3454 . ?
C27E C28E 1.3701 . ?
C28E C29E 1.3894 . ?
C28E H28E 0.9500 . ?
C29E C30E 1.3596 . ?
C29E H29E 0.9500 . ?
C30E C31E 1.3721 . ?
C30E H30E 0.9500 . ?
C31E N32E 1.3356 . ?
C31E H31E 0.9500 . ?
S18F O19F 1.4232 . ?
S18F O20F 1.4371 . ?
S18F O21F 1.4487 . ?
S18F C14F 1.769(8) . ?
O11F C10F 1.29(3) . ?
O22F C23F 1.21(3) . ?
N8F C7F 1.29(3) . ?
N8F N9F 1.41(3) . ?
N9F C10F 1.32(3) . ?
N24F C23F 1.35(3) . ?
N24F N25F 1.37(3) . ?
N24F H24F 0.8800 . ?
N25F C26F 1.30(3) . ?
N1F C2F 1.3350 . ?
N1F C6F 1.3456 . ?
C2F C3F 1.3718 . ?
C2F H2F 0.9500 . ?
C3F C4F 1.3598 . ?
C3F H3F 0.9500 . ?
C4F C5F 1.3888 . ?
C4F H4F 0.9500 . ?
C5F C6F 1.3699 . ?
C5F H5F 0.9500 . ?
C6F C7F 1.4862 . ?
C7F H7F 0.9500 . ?
C10F C12F 1.46(3) . ?
C12F C13F 1.3900 . ?
C12F C17F 1.3900 . ?
C13F C14F 1.3900 . ?
C13F H13F 0.9500 . ?
C14F C15F 1.3900 . ?
C15F C16F 1.3900 . ?
C15F H15F 0.9500 . ?
C16F C17F 1.3900 . ?
C16F C23F 1.54(3) . ?
C17F H17F 0.9500 . ?
C26F C27F 1.4868 . ?
C26F H26F 0.9500 . ?
C27F N32F 1.3454 . ?
C27F C28F 1.3697 . ?
C28F C29F 1.3894 . ?
C28F H28F 0.9500 . ?
C29F C30F 1.3595 . ?
C29F H29F 0.9500 . ?
C30F C31F 1.3717 . ?
C30F H30F 0.9500 . ?
C31F N32F 1.3356 . ?
C31F H31F 0.9500 . ?
S18G O19G 1.4235 . ?
S18G O20G 1.4371 . ?
S18G O21G 1.4488 . ?
S18G C14G 1.761(8) . ?
O11G C10G 1.26(3) . ?
O22G C23G 1.28(3) . ?
N8G C7G 1.31(3) . ?
N8G N9G 1.35(3) . ?
N9G C10G 1.30(3) . ?
N24G C23G 1.30(3) . ?
N24G N25G 1.32(3) . ?
N25G C26G 1.36(3) . ?
N1G C2G 1.3353 . ?
N1G C6G 1.3455 . ?
C2G C3G 1.3720 . ?
C2G H2G 0.9500 . ?
C3G C4G 1.3596 . ?
C3G H3G 0.9500 . ?
C4G C5G 1.3892 . ?
C4G H4G 0.9500 . ?
C5G C6G 1.3701 . ?
C5G H5G 0.9500 . ?
C6G C7G 1.4866 . ?
C7G H7G 0.9500 . ?
C10G C12G 1.47(3) . ?
C12G C13G 1.3900 . ?
C12G C17G 1.3900 . ?
C13G C14G 1.3900 . ?
C13G H13G 0.9500 . ?
C14G C15G 1.3900 . ?
C15G C16G 1.3900 . ?
C15G H15G 0.9500 . ?
C16G C17G 1.3900 . ?
C16G C23G 1.47(3) . ?
C17G H17G 0.9500 . ?
C26G C27G 1.4866 . ?
C26G H26G 0.9500 . ?
C27G N32G 1.3456 . ?
C27G C28G 1.3702 . ?
C28G C29G 1.3891 . ?
C28G H28G 0.9500 . ?
C29G C30G 1.3598 . ?
C29G H29G 0.9500 . ?
C30G C31G 1.3723 . ?
C30G H30G 0.9500 . ?
C31G N32G 1.3351 . ?
C31G H31G 0.9500 . ?
S18H O19H 1.4234 . ?
S18H O20H 1.4371 . ?
S18H O21H 1.4484 . ?
S18H C14H 1.766(8) . ?
O11H C10H 1.28(3) . ?
O22H C23H 1.16(3) . ?
N8H C7H 1.33(3) . ?
N8H N9H 1.37(3) . ?
N9H C10H 1.23(3) . ?
N24H N25H 1.36(3) . ?
N24H C23H 1.41(3) . ?
N25H C26H 1.33(3) . ?
N1H C2H 1.3354 . ?
N1H C6H 1.3455 . ?
C2H C3H 1.3716 . ?
C2H H2H 0.9500 . ?
C3H C4H 1.3596 . ?
C3H H3H 0.9500 . ?
C4H C5H 1.3893 . ?
C4H H4H 0.9500 . ?
C5H C6H 1.3696 . ?
C5H H5H 0.9500 . ?
C6H C7H 1.4868 . ?
C7H H7H 0.9500 . ?
C10H C12H 1.56(3) . ?
C12H C13H 1.3900 . ?
C12H C17H 1.3900 . ?
C13H C14H 1.3900 . ?
C13H H13H 0.9500 . ?
C14H C15H 1.3900 . ?
C15H C16H 1.3900 . ?
C15H H15H 0.9500 . ?
C16H C17H 1.3900 . ?
C16H C23H 1.54(3) . ?
C17H H17H 0.9500 . ?
C26H C27H 1.4863 . ?
C26H H26H 0.9500 . ?
C27H N32H 1.3459 . ?
C27H C28H 1.3697 . ?
C28H C29H 1.3889 . ?
C28H H28H 0.9500 . ?
C29H C30H 1.3600 . ?
C29H H29H 0.9500 . ?
C30H C31H 1.3718 . ?
C30H H30H 0.9500 . ?
C31H N32H 1.3350 . ?
C31H H31H 0.9500 . ?
S18I O19I 1.4233 . ?
S18I O20I 1.4375 . ?
S18I O21I 1.4487 . ?
S18I C14I 1.766(9) . ?
O11I C10I 1.29(3) . ?
O22I C23I 1.27(3) . ?
N8I C7I 1.31(3) . ?
N8I N9I 1.35(3) . ?
N9I C10I 1.34(4) . ?
N24I C23I 1.34(4) . ?
N24I N25I 1.40(3) . ?
N24I H24I 0.8800 . ?
N25I C26I 1.21(3) . ?
N1I C2I 1.3352 . ?
N1I C6I 1.3453 . ?
C2I C3I 1.3718 . ?
C2I H2I 0.9500 . ?
C3I C4I 1.3592 . ?
C3I H3I 0.9500 . ?
C4I C5I 1.3891 . ?
C4I H4I 0.9500 . ?
C5I C6I 1.3698 . ?
C5I H5I 0.9500 . ?
C6I C7I 1.4865 . ?
C7I H7I 0.9500 . ?
C10I C12I 1.58(3) . ?
C12I C13I 1.3900 . ?
C12I C17I 1.3900 . ?
C13I C14I 1.3900 . ?
C13I H13I 0.9500 . ?
C14I C15I 1.3900 . ?
C15I C16I 1.3900 . ?
C15I H15I 0.9500 . ?
C16I C17I 1.3900 . ?
C16I C23I 1.49(4) . ?
C17I H17I 0.9500 . ?
C26I C27I 1.4863 . ?
C26I H26I 0.9500 . ?
C27I N32I 1.3452 . ?
C27I C28I 1.3698 . ?
C28I C29I 1.3888 . ?
C28I H28I 0.9500 . ?
C29I C30I 1.3594 . ?
C29I H29I 0.9500 . ?
C30I C31I 1.3719 . ?
C30I H30I 0.9500 . ?
C31I N32I 1.3349 . ?
C31I H31I 0.9500 . ?
S18J O19J 1.4235 . ?
S18J O20J 1.4369 . ?
S18J O21J 1.4488 . ?
S18J C14J 1.777(8) . ?
O11J C10J 1.33(3) . ?
O22J C23J 1.31(3) . ?
N8J C7J 1.30(3) . ?
N8J N9J 1.31(3) . ?
N9J C10J 1.34(4) . ?
N9J H9J 0.8800 . ?
N24J C23J 1.26(4) . ?
N24J N25J 1.29(3) . ?
N25J C26J 1.28(3) . ?
N1J C2J 1.3357 . ?
N1J C6J 1.3452 . ?
C2J C3J 1.3721 . ?
C2J H2J 0.9500 . ?
C3J C4J 1.3595 . ?
C3J H3J 0.9500 . ?
C4J C5J 1.3894 . ?
C4J H4J 0.9500 . ?
C5J C6J 1.3700 . ?
C5J H5J 0.9500 . ?
C6J C7J 1.4870 . ?
C7J H7J 0.9500 . ?
C10J C12J 1.42(4) . ?
C12J C13J 1.3900 . ?
C12J C17J 1.3900 . ?
C13J C14J 1.3900 . ?
C13J H13J 0.9500 . ?
C14J C15J 1.3900 . ?
C15J C16J 1.3900 . ?
C15J H15J 0.9500 . ?
C16J C17J 1.3900 . ?
C16J C23J 1.56(3) . ?
C17J H17J 0.9500 . ?
C26J C27J 1.4865 . ?
C26J H26J 0.9500 . ?
C27J N32J 1.3457 . ?
C27J C28J 1.3702 . ?
C28J C29J 1.3891 . ?
C28J H28J 0.9500 . ?
C29J C30J 1.3597 . ?
C29J H29J 0.9500 . ?
C30J C31J 1.3723 . ?
C30J H30J 0.9500 . ?
C31J N32J 1.3349 . ?
C31J H31J 0.9500 . ?
S18K O19K 1.4230 . ?
S18K O20K 1.4374 . ?
S18K O21K 1.4488 . ?
S18K C14K 1.770(8) . ?
O11K C10K 1.25(3) . ?
O22K C23K 1.21(3) . ?
N8K C7K 1.36(3) . ?
N8K N9K 1.37(3) . ?
N9K C10K 1.33(3) . ?
N24K N25K 1.39(3) . ?
N24K C23K 1.40(3) . ?
N25K C26K 1.26(3) . ?
N1K C2K 1.3349 . ?
N1K C6K 1.3455 . ?
C2K C3K 1.3718 . ?
C2K H2K 0.9500 . ?
C3K C4K 1.3596 . ?
C3K H3K 0.9500 . ?
C4K C5K 1.3888 . ?
C4K H4K 0.9500 . ?
C5K C6K 1.3698 . ?
C5K H5K 0.9500 . ?
C6K C7K 1.4862 . ?
C7K H7K 0.9500 . ?
C10K C12K 1.47(3) . ?
C12K C13K 1.3900 . ?
C12K C17K 1.3900 . ?
C13K C14K 1.3900 . ?
C13K H13K 0.9500 . ?
C14K C15K 1.3900 . ?
C15K C16K 1.3900 . ?
C15K H15K 0.9500 . ?
C16K C17K 1.3900 . ?
C16K C23K 1.52(3) . ?
C17K H17K 0.9500 . ?
C26K C27K 1.4866 . ?
C26K H26K 0.9500 . ?
C27K N32K 1.3453 . ?
C27K C28K 1.3698 . ?
C28K C29K 1.3891 . ?
C28K H28K 0.9500 . ?
C29K C30K 1.3593 . ?
C29K H29K 0.9500 . ?
C30K C31K 1.3718 . ?
C30K H30K 0.9500 . ?
C31K N32K 1.3353 . ?
C31K H31K 0.9500 . ?
S18L O19L 1.4233 . ?
S18L O20L 1.4371 . ?
S18L O21L 1.4489 . ?
S18L C14L 1.763(8) . ?
O11L C10L 1.28(3) . ?
O22L C23L 1.31(3) . ?
N8L C7L 1.32(3) . ?
N8L N9L 1.35(3) . ?
N9L C10L 1.35(4) . ?
N24L N25L 1.38(3) . ?
N24L C23L 1.41(3) . ?
N25L C26L 1.27(3) . ?
N1L C2L 1.3351 . ?
N1L C6L 1.3454 . ?
C2L C3L 1.3723 . ?
C2L H2L 0.9500 . ?
C3L C4L 1.3595 . ?
C3L H3L 0.9500 . ?
C4L C5L 1.3890 . ?
C4L H4L 0.9500 . ?
C5L C6L 1.3702 . ?
C5L H5L 0.9500 . ?
C6L C7L 1.4865 . ?
C7L H7L 0.9500 . ?
C10L C12L 1.54(3) . ?
C12L C13L 1.3900 . ?
C12L C17L 1.3900 . ?
C13L C14L 1.3900 . ?
C13L H13L 0.9500 . ?
C14L C15L 1.3900 . ?
C15L C16L 1.3900 . ?
C15L H15L 0.9500 . ?
C16L C17L 1.3900 . ?
C16L C23L 1.40(4) . ?
C17L H17L 0.9500 . ?
C26L C27L 1.4867 . ?
C26L H26L 0.9500 . ?
C27L N32L 1.3453 . ?
C27L C28L 1.3701 . ?
C28L C29L 1.3893 . ?
C28L H28L 0.9500 . ?
C29L C30L 1.3593 . ?
C29L H29L 0.9500 . ?
C30L C31L 1.3722 . ?
C30L H30L 0.9500 . ?
C31L N32L 1.3356 . ?
C31L H31L 0.9500 . ?
S18M O19M 1.4231 . ?
S18M O20M 1.4375 . ?
S18M O21M 1.4486 . ?
S18M C14M 1.769(8) . ?
O11M C10M 1.22(3) . ?
O22M C23M 1.26(3) . ?
N8M C7M 1.23(3) . ?
N8M N9M 1.38(3) . ?
N9M C10M 1.34(3) . ?
N24M C23M 1.30(3) . ?
N24M N25M 1.36(2) . ?
N24M H24M 0.8800 . ?
N25M C26M 1.29(3) . ?
N1M C2M 1.3352 . ?
N1M C6M 1.3456 . ?
C2M C3M 1.3718 . ?
C2M H2M 0.9500 . ?
C3M C4M 1.3596 . ?
C3M H3M 0.9500 . ?
C4M C5M 1.3893 . ?
C4M H4M 0.9500 . ?
C5M C6M 1.3696 . ?
C5M H5M 0.9500 . ?
C6M C7M 1.4866 . ?
C7M H7M 0.9500 . ?
C10M C12M 1.57(3) . ?
C12M C13M 1.3900 . ?
C12M C17M 1.3900 . ?
C13M C14M 1.3900 . ?
C13M H13M 0.9500 . ?
C14M C15M 1.3900 . ?
C15M C16M 1.3900 . ?
C15M H15M 0.9500 . ?
C16M C17M 1.3900 . ?
C16M C23M 1.45(3) . ?
C17M H17M 0.9500 . ?
C26M C27M 1.4863 . ?
C26M H26M 0.9500 . ?
C27M N32M 1.3457 . ?
C27M C28M 1.3698 . ?
C28M C29M 1.3888 . ?
C28M H28M 0.9500 . ?
C29M C30M 1.3598 . ?
C29M H29M 0.9500 . ?
C30M C31M 1.3717 . ?
C30M H30M 0.9500 . ?
C31M N32M 1.3351 . ?
C31M H31M 0.9500 . ?
S18N O19N 1.4232 . ?
S18N O20N 1.4368 . ?
S18N O21N 1.4491 . ?
S18N C14N 1.783(8) . ?
O11N C10N 1.31(3) . ?
O22N C23N 1.19(3) . ?
N8N C7N 1.29(3) . ?
N8N N9N 1.37(3) . ?
N9N C10N 1.32(3) . ?
N24N C23N 1.35(3) . ?
N24N N25N 1.40(3) . ?
N25N C26N 1.30(3) . ?
N1N C2N 1.3351 . ?
N1N C6N 1.3457 . ?
C2N C3N 1.3722 . ?
C2N H2N 0.9500 . ?
C3N C4N 1.3598 . ?
C3N H3N 0.9500 . ?
C4N C5N 1.3891 . ?
C4N H4N 0.9500 . ?
C5N C6N 1.3702 . ?
C5N H5N 0.9500 . ?
C6N C7N 1.4867 . ?
C7N H7N 0.9500 . ?
C10N C12N 1.45(3) . ?
C12N C13N 1.3900 . ?
C12N C17N 1.3900 . ?
C13N C14N 1.3900 . ?
C13N H13N 0.9500 . ?
C14N C15N 1.3900 . ?
C15N C16N 1.3900 . ?
C15N H15N 0.9500 . ?
C16N C17N 1.3900 . ?
C16N C23N 1.54(3) . ?
C17N H17N 0.9500 . ?
C26N C27N 1.4868 . ?
C26N H26N 0.9500 . ?
C27N N32N 1.3456 . ?
C27N C28N 1.3702 . ?
C28N C29N 1.3895 . ?
C28N H28N 0.9500 . ?
C29N C30N 1.3596 . ?
C29N H29N 0.9500 . ?
C30N C31N 1.3723 . ?
C30N H30N 0.9500 . ?
C31N N32N 1.3355 . ?
C31N H31N 0.9500 . ?
S18O O19O 1.4232 . ?
S18O O20O 1.4375 . ?
S18O O21O 1.4486 . ?
S18O C14O 1.769(8) . ?
O11O C10O 1.23(2) . ?
O22O C23O 1.29(3) . ?
N8O C7O 1.26(3) . ?
N8O N9O 1.35(2) . ?
N9O C10O 1.37(3) . ?
N24O C23O 1.34(3) . ?
N24O N25O 1.40(3) . ?
N25O C26O 1.27(3) . ?
N1O C2O 1.3348 . ?
N1O C6O 1.3456 . ?
C2O C3O 1.3718 . ?
C2O H2O 0.9500 . ?
C3O C4O 1.3596 . ?
C3O H3O 0.9500 . ?
C4O C5O 1.3890 . ?
C4O H4O 0.9500 . ?
C5O C6O 1.3696 . ?
C5O H5O 0.9500 . ?
C6O C7O 1.4862 . ?
C7O H7O 0.9500 . ?
C10O C12O 1.48(3) . ?
C12O C13O 1.3900 . ?
C12O C17O 1.3900 . ?
C13O C14O 1.3900 . ?
C13O H13O 0.9500 . ?
C14O C15O 1.3900 . ?
C15O C16O 1.3900 . ?
C15O H15O 0.9500 . ?
C16O C17O 1.3900 . ?
C16O C23O 1.51(3) . ?
C17O H17O 0.9500 . ?
C26O C27O 1.4865 . ?
C26O H26O 0.9500 . ?
C27O N32O 1.3454 . ?
C27O C28O 1.3695 . ?
C28O C29O 1.3892 . ?
C28O H28O 0.9500 . ?
C29O C30O 1.3594 . ?
C29O H29O 0.9500 . ?
C30O C31O 1.3716 . ?
C30O H30O 0.9500 . ?
C31O N32O 1.3353 . ?
C31O H31O 0.9500 . ?
S18P O19P 1.4233 . ?
S18P O20P 1.4371 . ?
S18P O21P 1.4490 . ?
S18P C14P 1.762(8) . ?
O11P C10P 1.36(3) . ?
O22P C23P 1.25(3) . ?
N8P C7P 1.29(3) . ?
N8P N9P 1.36(3) . ?
N9P C10P 1.27(3) . ?
N24P C23P 1.36(4) . ?
N24P N25P 1.37(3) . ?
N25P C26P 1.31(3) . ?
N1P C2P 1.3355 . ?
N1P C6P 1.3454 . ?
C2P C3P 1.3721 . ?
C2P H2P 0.9500 . ?
C3P C4P 1.3595 . ?
C3P H3P 0.9500 . ?
C4P C5P 1.3894 . ?
C4P H4P 0.9500 . ?
C5P C6P 1.3701 . ?
C5P H5P 0.9500 . ?
C6P C7P 1.4869 . ?
C7P H7P 0.9500 . ?
C10P C12P 1.46(3) . ?
C12P C13P 1.3900 . ?
C12P C17P 1.3900 . ?
C13P C14P 1.3900 . ?
C13P H13P 0.9500 . ?
C14P C15P 1.3900 . ?
C15P C16P 1.3900 . ?
C15P H15P 0.9500 . ?
C16P C17P 1.3900 . ?
C16P C23P 1.52(3) . ?
C17P H17P 0.9500 . ?
C26P C27P 1.4863 . ?
C26P H26P 0.9500 . ?
C27P N32P 1.3457 . ?
C27P C28P 1.3703 . ?
C28P C29P 1.3891 . ?
C28P H28P 0.9500 . ?
C29P C30P 1.3597 . ?
C29P H29P 0.9500 . ?
C30P C31P 1.3722 . ?
C30P H30P 0.9500 . ?
C31P N32P 1.3351 . ?
C31P H31P 0.9500 . ?
Zn1Z O1Z 2.0354 . ?
Zn1Z O5Z 2.0505 . ?
Zn1Z O4Z 2.0530 . ?
Zn1Z O3Z 2.0534 . ?
Zn1Z O2Z 2.0571 . ?
Zn1Z O6Z 2.0653 . ?
O1Z C1Z 1.2509 . ?
N1Z C1Z 1.3164 . ?
N1Z C3Z 1.4569 . ?
N1Z C2Z 1.4574 . ?
C1Z H1Z 0.9500 . ?
C2Z H2Z1 0.9800 . ?
C2Z H2Z2 0.9800 . ?
C2Z H2Z3 0.9800 . ?
C3Z H3Z1 0.9800 . ?
C3Z H3Z2 0.9800 . ?
C3Z H3Z3 0.9800 . ?
C1S N1S 1.1976 . ?
C1S O1S 1.2916 . ?
C1S H1S 0.9500 . ?
C2S N1S 1.4524 . ?
C2S H2S1 0.9800 . ?
C2S H2S2 0.9800 . ?
C2S H2S3 0.9800 . ?
C3S N1S 1.4557 . ?
C3S H3S1 0.9800 . ?
C3S H3S2 0.9800 . ?
C3S H3S3 0.9800 . ?
C4S O2S 1.2408 . ?
C4S N2S 1.3242 . ?
C4S H4S 0.9500 . ?
C5S N2S 1.4523 . ?
C5S H5S1 0.9800 . ?
C5S H5S2 0.9800 . ?
C5S H5S3 0.9800 . ?
C6S N2S 1.4559 . ?
C6S H6S1 0.9800 . ?
C6S H6S2 0.9800 . ?
C6S H6S3 0.9800 . ?
C1T O1T 1.2412 . ?
C1T N1T 1.3236 . ?
C1T H1T 0.9500 . ?
C2T N1T 1.4516 . ?
C2T H2T1 0.9800 . ?
C2T H2T2 0.9800 . ?
C2T H2T3 0.9800 . ?
C3T N1T 1.4559 . ?
C3T H3T1 0.9800 . ?
C3T H3T2 0.9800 . ?
C3T H3T3 0.9800 . ?
C1U O1U 1.2405 . ?
C1U N1U 1.3239 . ?
C1U H1U 0.9500 . ?
C2U N1U 1.4522 . ?
C2U H2U1 0.9800 . ?
C2U H2U2 0.9800 . ?
C2U H2U3 0.9800 . ?
C3U N1U 1.4555 . ?
C3U H3U1 0.9800 . ?
C3U H3U2 0.9800 . ?
C3U H3U3 0.9800 . ?
O16W O65W 1.18(7) . ?
O16W O43W 1.78(6) . ?
O25W O45W 0.98(6) . ?
O35W O41W 1.19(5) . ?
O42W O48W 1.73(9) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N25D Cu1 N32D 80.7(8) . . ?
N25D Cu1 O22D 78.4(8) . . ?
N32D Cu1 O22D 158.7(7) . . ?
N25D Cu1 N8A 175.0(8) . . ?
N32D Cu1 N8A 104.2(6) . . ?
O22D Cu1 N8A 96.8(7) . . ?
N25D Cu1 N1A 102.1(7) . . ?
N32D Cu1 N1A 93.2(5) . . ?
O22D Cu1 N1A 95.0(6) . . ?
N8A Cu1 N1A 76.5(7) . . ?
N25D Cu1 O11A 109.6(8) . . ?
N32D Cu1 O11A 89.2(6) . . ?
O22D Cu1 O11A 94.0(6) . . ?
N8A Cu1 O11A 72.1(7) . . ?
N1A Cu1 O11A 148.1(6) . . ?
N25A Cu2 N8B 140.0(10) . . ?
N25A Cu2 N1B 119.0(8) . . ?
N8B Cu2 N1B 82.5(10) . . ?
N25A Cu2 N32A 83.8(9) . . ?
N8B Cu2 N32A 124.9(8) . . ?
N1B Cu2 N32A 105.9(6) . . ?
N8C Cu3 O11C 77.6(8) . . ?
N8C Cu3 N25B 178.2(10) . . ?
O11C Cu3 N25B 101.1(7) . . ?
N8C Cu3 N1C 78.7(8) . . ?
O11C Cu3 N1C 155.8(7) . . ?
N25B Cu3 N1C 102.7(7) . . ?
N8C Cu3 N32B 100.6(8) . . ?
O11C Cu3 N32B 91.1(6) . . ?
N25B Cu3 N32B 78.2(9) . . ?
N1C Cu3 N32B 98.1(6) . . ?
N8C Cu3 O22B 109.3(8) . . ?
O11C Cu3 O22B 95.3(7) . . ?
N25B Cu3 O22B 72.0(8) . . ?
N1C Cu3 O22B 87.9(6) . . ?
N32B Cu3 O22B 150.1(6) . . ?
N25C Cu4 O22C 77.7(8) . . ?
N25C Cu4 N8D 176.9(9) . . ?
O22C Cu4 N8D 99.4(8) . . ?
N25C Cu4 N32C 79.4(8) . . ?
O22C Cu4 N32C 157.0(7) . . ?
N8D Cu4 N32C 103.5(7) . . ?
N25C Cu4 O11D 108.9(8) . . ?
O22C Cu4 O11D 95.9(7) . . ?
N8D Cu4 O11D 72.3(8) . . ?
N32C Cu4 O11D 88.8(6) . . ?
N25C Cu4 N1D 100.8(7) . . ?
O22C Cu4 N1D 91.5(6) . . ?
N8D Cu4 N1D 78.0(8) . . ?
N32C Cu4 N1D 95.6(5) . . ?
O11D Cu4 N1D 150.2(6) . . ?
N25H Zn5 N8E 169.0(9) . . ?
N25H Zn5 N32H 78.9(8) . . ?
N8E Zn5 N32H 100.5(8) . . ?
N25H Zn5 O22H 75.2(8) . . ?
N8E Zn5 O22H 104.7(8) . . ?
N32H Zn5 O22H 154.1(7) . . ?
N25H Zn5 O11E 97.3(8) . . ?
N8E Zn5 O11E 71.7(9) . . ?
N32H Zn5 O11E 92.3(6) . . ?
O22H Zn5 O11E 89.7(7) . . ?
N25H Zn5 N1E 110.5(7) . . ?
N8E Zn5 N1E 80.4(9) . . ?
N32H Zn5 N1E 104.0(5) . . ?
O22H Zn5 N1E 86.5(6) . . ?
O11E Zn5 N1E 149.9(7) . . ?
N25E Zn6 N8F 174.2(10) . . ?
N25E Zn6 O11F 98.8(8) . . ?
N8F Zn6 O11F 76.0(8) . . ?
N25E Zn6 O22E 72.9(9) . . ?
N8F Zn6 O22E 109.8(8) . . ?
O11F Zn6 O22E 92.3(7) . . ?
N25E Zn6 N32E 79.0(10) . . ?
N8F Zn6 N32E 98.5(8) . . ?
O11F Zn6 N32E 94.4(7) . . ?
O22E Zn6 N32E 151.8(7) . . ?
N25E Zn6 N1F 109.7(8) . . ?
N8F Zn6 N1F 75.6(8) . . ?
O11F Zn6 N1F 151.3(7) . . ?
O22E Zn6 N1F 93.6(6) . . ?
N32E Zn6 N1F 93.5(6) . . ?
N8G Cu7 N1G 81.2(10) . . ?
N8G Cu7 N25F 178.0(10) . . ?
N1G Cu7 N25F 100.4(8) . . ?
N8G Cu7 O11G 77.9(9) . . ?
N1G Cu7 O11G 158.3(8) . . ?
N25F Cu7 O11G 100.4(8) . . ?
N8G Cu7 N32F 106.0(8) . . ?
N1G Cu7 N32F 100.6(6) . . ?
N25F Cu7 N32F 74.9(9) . . ?
O11G Cu7 N32F 90.7(6) . . ?
N8G Cu7 O22F 104.9(8) . . ?
N1G Cu7 O22F 92.1(6) . . ?
N25F Cu7 O22F 73.9(8) . . ?
O11G Cu7 O22F 87.8(7) . . ?
N32F Cu7 O22F 148.0(7) . . ?
N25G Zn8 N8H 178.5(8) . . ?
N25G Zn8 O11H 109.4(8) . . ?
N8H Zn8 O11H 71.1(8) . . ?
N25G Zn8 O22G 70.0(9) . . ?
N8H Zn8 O22G 108.7(8) . . ?
O11H Zn8 O22G 86.5(7) . . ?
N25G Zn8 N32G 77.6(8) . . ?
N8H Zn8 N32G 103.7(7) . . ?
O11H Zn8 N32G 97.1(6) . . ?
O22G Zn8 N32G 146.7(7) . . ?
N25G Zn8 N1H 103.3(7) . . ?
N8H Zn8 N1H 76.0(8) . . ?
O11H Zn8 N1H 146.8(7) . . ?
O22G Zn8 N1H 100.5(6) . . ?
N32G Zn8 N1H 94.4(5) . . ?
N25L Cu9 N8I 168.6(11) . . ?
N25L Cu9 O22L 77.3(11) . . ?
N8I Cu9 O22L 103.2(9) . . ?
N25L Cu9 N32L 78.6(12) . . ?
N8I Cu9 N32L 101.6(10) . . ?
O22L Cu9 N32L 155.2(8) . . ?
N25L Cu9 O11I 114.8(9) . . ?
N8I Cu9 O11I 76.6(10) . . ?
O22L Cu9 O11I 94.7(8) . . ?
N32L Cu9 O11I 89.8(8) . . ?
N25L Cu9 N1I 95.1(9) . . ?
N8I Cu9 N1I 73.5(10) . . ?
O22L Cu9 N1I 92.3(7) . . ?
N32L Cu9 N1I 95.9(7) . . ?
O11I Cu9 N1I 150.2(8) . . ?
N8J Cu10 N32I 121.8(9) . . ?
N8J Cu10 N1J 83.4(10) . . ?
N32I Cu10 N1J 102.7(6) . . ?
N8J Cu10 N25I 139.4(11) . . ?
N32I Cu10 N25I 82.3(10) . . ?
N1J Cu10 N25I 125.8(10) . . ?
N8K Cu11 O11K 74.8(8) . . ?
N8K Cu11 N1K 81.9(8) . . ?
O11K Cu11 N1K 155.1(7) . . ?
N8K Cu11 N25J 169.8(10) . . ?
O11K Cu11 N25J 101.1(8) . . ?
N1K Cu11 N25J 103.3(8) . . ?
N8K Cu11 O22J 115.3(9) . . ?
O11K Cu11 O22J 91.1(8) . . ?
N1K Cu11 O22J 90.8(7) . . ?
N25J Cu11 O22J 73.8(10) . . ?
N8K Cu11 N32J 94.5(8) . . ?
O11K Cu11 N32J 97.0(7) . . ?
N1K Cu11 N32J 93.5(6) . . ?
N25J Cu11 N32J 76.5(10) . . ?
O22J Cu11 N32J 150.2(7) . . ?
N25K Cu12 N8L 174.4(12) . . ?
N25K Cu12 N32K 80.3(10) . . ?
N8L Cu12 N32K 103.3(9) . . ?
N25K Cu12 O22K 76.7(9) . . ?
N8L Cu12 O22K 99.9(9) . . ?
N32K Cu12 O22K 156.7(8) . . ?
N25K Cu12 O11L 110.8(10) . . ?
N8L Cu12 O11L 74.0(10) . . ?
N32K Cu12 O11L 85.3(7) . . ?
O22K Cu12 O11L 99.4(7) . . ?
N25K Cu12 N1L 99.2(9) . . ?
N8L Cu12 N1L 76.2(10) . . ?
N32K Cu12 N1L 98.3(6) . . ?
O22K Cu12 N1L 89.0(7) . . ?
O11L Cu12 N1L 149.9(8) . . ?
N25P Zn13 N8M 179.3(12) . . ?
N25P Zn13 O22P 77.2(10) . . ?
N8M Zn13 O22P 102.8(9) . . ?
N25P Zn13 N32P 78.5(11) . . ?
N8M Zn13 N32P 101.5(9) . . ?
O22P Zn13 N32P 155.6(8) . . ?
N25P Zn13 N1M 100.5(9) . . ?
N8M Zn13 N1M 78.8(9) . . ?
O22P Zn13 N1M 87.8(7) . . ?
N32P Zn13 N1M 98.7(7) . . ?
N25P Zn13 O11M 106.9(9) . . ?
N8M Zn13 O11M 73.8(9) . . ?
O22P Zn13 O11M 90.6(7) . . ?
N32P Zn13 O11M 94.5(7) . . ?
N1M Zn13 O11M 151.5(7) . . ?
N8N Cu14 O11N 77.5(9) . . ?
N8N Cu14 N25M 174.2(10) . . ?
O11N Cu14 N25M 101.7(8) . . ?
N8N Cu14 N1N 80.3(10) . . ?
O11N Cu14 N1N 157.8(7) . . ?
N25M Cu14 N1N 100.1(8) . . ?
N8N Cu14 N32M 111.4(8) . . ?
O11N Cu14 N32M 96.7(7) . . ?
N25M Cu14 N32M 74.3(8) . . ?
N1N Cu14 N32M 93.1(6) . . ?
N8N Cu14 O22M 102.3(9) . . ?
O11N Cu14 O22M 91.8(7) . . ?
N25M Cu14 O22M 71.9(8) . . ?
N1N Cu14 O22M 91.0(7) . . ?
N32M Cu14 O22M 146.2(6) . . ?
N8O Zn15 N25N 171.4(10) . . ?
N8O Zn15 N1O 78.4(8) . . ?
N25N Zn15 N1O 103.6(8) . . ?
N8O Zn15 O11O 74.3(8) . . ?
N25N Zn15 O11O 103.6(8) . . ?
N1O Zn15 O11O 152.7(6) . . ?
N8O Zn15 N32N 111.2(7) . . ?
N25N Zn15 N32N 76.9(9) . . ?
N1O Zn15 N32N 99.6(6) . . ?
O11O Zn15 N32N 89.4(6) . . ?
N8O Zn15 O22N 97.8(8) . . ?
N25N Zn15 O22N 73.8(9) . . ?
N1O Zn15 O22N 95.5(7) . . ?
O11O Zn15 O22N 89.2(7) . . ?
N32N Zn15 O22N 149.4(6) . . ?
N8P Zn16 N25O 175.3(9) . . ?
N8P Zn16 O22O 109.5(8) . . ?
N25O Zn16 O22O 74.8(8) . . ?
N8P Zn16 O11P 72.4(9) . . ?
N25O Zn16 O11P 110.2(9) . . ?
O22O Zn16 O11P 88.2(7) . . ?
N8P Zn16 N32O 100.8(7) . . ?
N25O Zn16 N32O 75.1(8) . . ?
O22O Zn16 N32O 149.4(6) . . ?
O11P Zn16 N32O 96.7(7) . . ?
N8P Zn16 N1P 74.2(10) . . ?
N25O Zn16 N1P 103.8(8) . . ?
O22O Zn16 N1P 95.5(6) . . ?
O11P Zn16 N1P 145.6(7) . . ?
N32O Zn16 N1P 97.1(5) . . ?
O19A S18A O20A 113.4 . . ?
O19A S18A O21A 113.0 . . ?
O20A S18A O21A 112.6 . . ?
O19A S18A C14A 107.2(7) . . ?
O20A S18A C14A 104.3(7) . . ?
O21A S18A C14A 105.4(7) . . ?
C10A O11A Cu1 111.6(16) . . ?
C7A N8A N9A 122.3(19) . . ?
C7A N8A Cu1 118.5(16) . . ?
N9A N8A Cu1 119.2(15) . . ?
N8A N9A C10A 116(2) . . ?
N8A N9A H9A 121.9 . . ?
C10A N9A H9A 121.9 . . ?
C23A N24A N25A 131(3) . . ?
C23A N24A H24A 114.4 . . ?
N25A N24A H24A 114.4 . . ?
C26A N25A N24A 112(2) . . ?
C26A N25A Cu2 118.4(14) . . ?
N24A N25A Cu2 129.9(18) . . ?
C2A N1A C6A 117.3 . . ?
C2A N1A Cu1 132.7(7) . . ?
C6A N1A Cu1 110.0(7) . . ?
N1A C2A C3A 122.6 . . ?
N1A C2A H2A 118.7 . . ?
C3A C2A H2A 118.7 . . ?
C4A C3A C2A 119.9 . . ?
C4A C3A H3A 120.1 . . ?
C2A C3A H3A 120.1 . . ?
C3A C4A C5A 118.7 . . ?
C3A C4A H4A 120.7 . . ?
C5A C4A H4A 120.7 . . ?
C6A C5A C4A 118.3 . . ?
C6A C5A H5A 120.8 . . ?
C4A C5A H5A 120.8 . . ?
N1A C6A C5A 123.3 . . ?
N1A C6A C7A 117.2 . . ?
C5A C6A C7A 119.5 . . ?
N8A C7A C6A 117.8(14) . . ?
N8A C7A H7A 121.1 . . ?
C6A C7A H7A 121.1 . . ?
O11A C10A N9A 120(3) . . ?
O11A C10A C12A 118(2) . . ?
N9A C10A C12A 121(2) . . ?
C13A C12A C17A 120.0 . . ?
C13A C12A C10A 121.8(16) . . ?
C17A C12A C10A 118.2(16) . . ?
C14A C13A C12A 120.0 . . ?
C14A C13A H13A 120.0 . . ?
C12A C13A H13A 120.0 . . ?
C15A C14A C13A 120.0 . . ?
C15A C14A S18A 118.9(10) . . ?
C13A C14A S18A 120.9(10) . . ?
C14A C15A C16A 120.0 . . ?
C14A C15A H15A 120.0 . . ?
C16A C15A H15A 120.0 . . ?
C17A C16A C15A 120.0 . . ?
C17A C16A C23A 124.9(18) . . ?
C15A C16A C23A 115.0(18) . . ?
C16A C17A C12A 120.0 . . ?
C16A C17A H17A 120.0 . . ?
C12A C17A H17A 120.0 . . ?
O22A C23A N24A 123(3) . . ?
O22A C23A C16A 121(3) . . ?
N24A C23A C16A 116(3) . . ?
N25A C26A C27A 109.9(13) . . ?
N25A C26A H26A 125.0 . . ?
C27A C26A H26A 125.0 . . ?
N32A C27A C28A 123.2 . . ?
N32A C27A C26A 117.2 . . ?
C28A C27A C26A 119.4 . . ?
C27A C28A C29A 118.3 . . ?
C27A C28A H28A 120.8 . . ?
C29A C28A H28A 120.8 . . ?
C30A C29A C28A 118.7 . . ?
C30A C29A H29A 120.7 . . ?
C28A C29A H29A 120.7 . . ?
C29A C30A C31A 119.8 . . ?
C29A C30A H30A 120.1 . . ?
C31A C30A H30A 120.1 . . ?
N32A C31A C30A 122.6 . . ?
N32A C31A H31A 118.7 . . ?
C30A C31A H31A 118.7 . . ?
C31A N32A C27A 117.3 . . ?
C31A N32A Cu2 132.2(8) . . ?
C27A N32A Cu2 109.9(8) . . ?
O19B S18B O20B 113.4 . . ?
O19B S18B O21B 113.0 . . ?
O20B S18B O21B 112.6 . . ?
O19B S18B C14B 105.6(9) . . ?
O20B S18B C14B 105.3(8) . . ?
O21B S18B C14B 106.1(9) . . ?
C23B O22B Cu3 113(2) . . ?
C7B N8B N9B 121(2) . . ?
C7B N8B Cu2 115.4(18) . . ?
N9B N8B Cu2 123.5(19) . . ?
C10B N9B N8B 128(3) . . ?
C10B N9B H9B 116.0 . . ?
N8B N9B H9B 116.0 . . ?
N25B N24B C23B 112(2) . . ?
C26B N25B N24B 123(2) . . ?
C26B N25B Cu3 116.3(18) . . ?
N24B N25B Cu3 120.2(17) . . ?
C2B N1B C6B 117.3 . . ?
C2B N1B Cu2 132.9(9) . . ?
C6B N1B Cu2 109.4(9) . . ?
N1B C2B C3B 122.6 . . ?
N1B C2B H2B 118.7 . . ?
C3B C2B H2B 118.7 . . ?
C4B C3B C2B 119.9 . . ?
C4B C3B H3B 120.1 . . ?
C2B C3B H3B 120.1 . . ?
C3B C4B C5B 118.6 . . ?
C3B C4B H4B 120.7 . . ?
C5B C4B H4B 120.7 . . ?
C6B C5B C4B 118.3 . . ?
C6B C5B H5B 120.8 . . ?
C4B C5B H5B 120.8 . . ?
N1B C6B C5B 123.3 . . ?
N1B C6B C7B 117.2 . . ?
C5B C6B C7B 119.5 . . ?
N8B C7B C6B 114.9(16) . . ?
N8B C7B H7B 122.5 . . ?
C6B C7B H7B 122.5 . . ?
O11B C10B N9B 122(3) . . ?
O11B C10B C12B 120(3) . . ?
N9B C10B C12B 119(3) . . ?
C13B C12B C17B 120.0 . . ?
C13B C12B C10B 116(2) . . ?
C17B C12B C10B 124(2) . . ?
C14B C13B C12B 120.0 . . ?
C14B C13B H13B 120.0 . . ?
C12B C13B H13B 120.0 . . ?
C13B C14B C15B 120.0 . . ?
C13B C14B S18B 119.6(12) . . ?
C15B C14B S18B 120.4(12) . . ?
C16B C15B C14B 120.0 . . ?
C16B C15B H15B 120.0 . . ?
C14B C15B H15B 120.0 . . ?
C17B C16B C15B 120.0 . . ?
C17B C16B C23B 114.6(18) . . ?
C15B C16B C23B 125.4(18) . . ?
C16B C17B C12B 120.0 . . ?
C16B C17B H17B 120.0 . . ?
C12B C17B H17B 120.0 . . ?
O22B C23B N24B 123(3) . . ?
O22B C23B C16B 124(3) . . ?
N24B C23B C16B 113(2) . . ?
N25B C26B C27B 118.4(15) . . ?
N25B C26B H26B 120.8 . . ?
C27B C26B H26B 120.8 . . ?
N32B C27B C28B 123.2 . . ?
N32B C27B C26B 117.2 . . ?
C28B C27B C26B 119.5 . . ?
C27B C28B C29B 118.3 . . ?
C27B C28B H28B 120.8 . . ?
C29B C28B H28B 120.8 . . ?
C30B C29B C28B 118.7 . . ?
C30B C29B H29B 120.7 . . ?
C28B C29B H29B 120.7 . . ?
C29B C30B C31B 119.8 . . ?
C29B C30B H30B 120.1 . . ?
C31B C30B H30B 120.1 . . ?
N32B C31B C30B 122.6 . . ?
N32B C31B H31B 118.7 . . ?
C30B C31B H31B 118.7 . . ?
C31B N32B C27B 117.3 . . ?
C31B N32B Cu3 132.9(8) . . ?
C27B N32B Cu3 109.8(8) . . ?
O19C S18C O20C 113.4 . . ?
O19C S18C O21C 113.0 . . ?
O20C S18C O21C 112.6 . . ?
O19C S18C C14C 106.9(7) . . ?
O20C S18C C14C 104.9(7) . . ?
O21C S18C C14C 105.1(8) . . ?
C10C O11C Cu3 112.7(16) . . ?
C23C O22C Cu4 113.3(16) . . ?
C7C N8C N9C 121(2) . . ?
C7C N8C Cu3 121.0(16) . . ?
N9C N8C Cu3 117.8(16) . . ?
C10C N9C N8C 111(2) . . ?
C23C N24C N25C 110(2) . . ?
C26C N25C N24C 124(2) . . ?
C26C N25C Cu4 118.7(17) . . ?
N24C N25C Cu4 117.3(16) . . ?
C2C N1C C6C 117.3 . . ?
C2C N1C Cu3 131.3(8) . . ?
C6C N1C Cu3 111.3(8) . . ?
N1C C2C C3C 122.6 . . ?
N1C C2C H2C 118.7 . . ?
C3C C2C H2C 118.7 . . ?
C4C C3C C2C 119.9 . . ?
C4C C3C H3C 120.1 . . ?
C2C C3C H3C 120.1 . . ?
C3C C4C C5C 118.7 . . ?
C3C C4C H4C 120.7 . . ?
C5C C4C H4C 120.7 . . ?
C6C C5C C4C 118.3 . . ?
C6C C5C H5C 120.8 . . ?
C4C C5C H5C 120.8 . . ?
N1C C6C C5C 123.2 . . ?
N1C C6C C7C 117.2 . . ?
C5C C6C C7C 119.5 . . ?
N8C C7C C6C 111.0(14) . . ?
N8C C7C H7C 124.5 . . ?
C6C C7C H7C 124.5 . . ?
O11C C10C N9C 120(2) . . ?
O11C C10C C12C 119(2) . . ?
N9C C10C C12C 121(2) . . ?
C13C C12C C17C 120.0 . . ?
C13C C12C C10C 120.7(16) . . ?
C17C C12C C10C 119.3(16) . . ?
C14C C13C C12C 120.0 . . ?
C14C C13C H13C 120.0 . . ?
C12C C13C H13C 120.0 . . ?
C15C C14C C13C 120.0 . . ?
C15C C14C S18C 117.8(10) . . ?
C13C C14C S18C 122.2(10) . . ?
C14C C15C C16C 120.0 . . ?
C14C C15C H15C 120.0 . . ?
C16C C15C H15C 120.0 . . ?
C17C C16C C15C 120.0 . . ?
C17C C16C C23C 117.6(16) . . ?
C15C C16C C23C 122.4(16) . . ?
C16C C17C C12C 120.0 . . ?
C16C C17C H17C 120.0 . . ?
C12C C17C H17C 120.0 . . ?
O22C C23C N24C 122(3) . . ?
O22C C23C C16C 122(2) . . ?
N24C C23C C16C 116(2) . . ?
N25C C26C C27C 113.6(14) . . ?
N25C C26C H26C 123.2 . . ?
C27C C26C H26C 123.2 . . ?
N32C C27C C28C 123.3 . . ?
N32C C27C C26C 117.2 . . ?
C28C C27C C26C 119.4 . . ?
C27C C28C C29C 118.3 . . ?
C27C C28C H28C 120.8 . . ?
C29C C28C H28C 120.8 . . ?
C30C C29C C28C 118.7 . . ?
C30C C29C H29C 120.7 . . ?
C28C C29C H29C 120.7 . . ?
C29C C30C C31C 119.9 . . ?
C29C C30C H30C 120.1 . . ?
C31C C30C H30C 120.1 . . ?
N32C C31C C30C 122.6 . . ?
N32C C31C H31C 118.7 . . ?
C30C C31C H31C 118.7 . . ?
C31C N32C C27C 117.3 . . ?
C31C N32C Cu4 131.8(8) . . ?
C27C N32C Cu4 110.9(8) . . ?
O19D S18D O20D 113.4 . . ?
O19D S18D O21D 113.0 . . ?
O20D S18D O21D 112.6 . . ?
O19D S18D C14D 105.7(7) . . ?
O20D S18D C14D 105.1(7) . . ?
O21D S18D C14D 106.1(7) . . ?
C10D O11D Cu4 110.9(16) . . ?
C23D O22D Cu1 108.5(17) . . ?
C7D N8D N9D 123(2) . . ?
C7D N8D Cu4 115.8(16) . . ?
N9D N8D Cu4 120.6(16) . . ?
C10D N9D N8D 114(2) . . ?
C23D N24D N25D 108(2) . . ?
C26D N25D N24D 125(2) . . ?
C26D N25D Cu1 117.8(15) . . ?
N24D N25D Cu1 116.4(17) . . ?
C2D N1D C6D 117.3 . . ?
C2D N1D Cu4 133.4(7) . . ?
C6D N1D Cu4 107.9(7) . . ?
N1D C2D C3D 122.6 . . ?
N1D C2D H2D 118.7 . . ?
C3D C2D H2D 118.7 . . ?
C4D C3D C2D 119.8 . . ?
C4D C3D H3D 120.1 . . ?
C2D C3D H3D 120.1 . . ?
C3D C4D C5D 118.7 . . ?
C3D C4D H4D 120.7 . . ?
C5D C4D H4D 120.7 . . ?
C6D C5D C4D 118.3 . . ?
C6D C5D H5D 120.8 . . ?
C4D C5D H5D 120.8 . . ?
N1D C6D C5D 123.2 . . ?
N1D C6D C7D 117.2 . . ?
C5D C6D C7D 119.5 . . ?
N8D C7D C6D 118.7(14) . . ?
N8D C7D H7D 120.6 . . ?
C6D C7D H7D 120.6 . . ?
O11D C10D N9D 122(3) . . ?
O11D C10D C12D 119(2) . . ?
N9D C10D C12D 119(2) . . ?
C13D C12D C17D 120.0 . . ?
C13D C12D C10D 122.1(16) . . ?
C17D C12D C10D 117.9(16) . . ?
C12D C13D C14D 120.0 . . ?
C12D C13D H13D 120.0 . . ?
C14D C13D H13D 120.0 . . ?
C15D C14D C13D 120.0 . . ?
C15D C14D S18D 119.8(11) . . ?
C13D C14D S18D 120.1(11) . . ?
C16D C15D C14D 120.0 . . ?
C16D C15D H15D 120.0 . . ?
C14D C15D H15D 120.0 . . ?
C15D C16D C17D 120.0 . . ?
C15D C16D C23D 124.5(17) . . ?
C17D C16D C23D 115.5(17) . . ?
C16D C17D C12D 120.0 . . ?
C16D C17D H17D 120.0 . . ?
C12D C17D H17D 120.0 . . ?
O22D C23D N24D 128(3) . . ?
O22D C23D C16D 118(2) . . ?
N24D C23D C16D 115(3) . . ?
N25D C26D C27D 112.8(14) . . ?
N25D C26D H26D 123.6 . . ?
C27D C26D H26D 123.6 . . ?
N32D C27D C28D 123.3 . . ?
N32D C27D C26D 117.2 . . ?
C28D C27D C26D 119.4 . . ?
C27D C28D C29D 118.3 . . ?
C27D C28D H28D 120.8 . . ?
C29D C28D H28D 120.8 . . ?
C30D C29D C28D 118.7 . . ?
C30D C29D H29D 120.7 . . ?
C28D C29D H29D 120.7 . . ?
C29D C30D C31D 119.9 . . ?
C29D C30D H30D 120.1 . . ?
C31D C30D H30D 120.1 . . ?
N32D C31D C30D 122.5 . . ?
N32D C31D H31D 118.7 . . ?
C30D C31D H31D 118.7 . . ?
C31D N32D C27D 117.3 . . ?
C31D N32D Cu1 131.8(7) . . ?
C27D N32D Cu1 110.8(7) . . ?
O19E S18E O20E 113.4 . . ?
O19E S18E O21E 113.0 . . ?
O20E S18E O21E 112.6 . . ?
O19E S18E C14E 107.7(9) . . ?
O20E S18E C14E 105.0(8) . . ?
O21E S18E C14E 104.1(8) . . ?
C10E O11E Zn5 113(2) . . ?
C23E O22E Zn6 113.4(18) . . ?
N9E N8E C7E 123(2) . . ?
N9E N8E Zn5 123(2) . . ?
C7E N8E Zn5 113.9(17) . . ?
N8E N9E C10E 107(3) . . ?
N25E N24E C23E 111(3) . . ?
C26E N25E N24E 123(3) . . ?
C26E N25E Zn6 116(2) . . ?
N24E N25E Zn6 121(2) . . ?
C2E N1E C6E 117.3 . . ?
C2E N1E Zn5 132.1(8) . . ?
C6E N1E Zn5 110.0(8) . . ?
N1E C2E C3E 122.6 . . ?
N1E C2E H2E 118.7 . . ?
C3E C2E H2E 118.7 . . ?
C4E C3E C2E 119.9 . . ?
C4E C3E H3E 120.1 . . ?
C2E C3E H3E 120.1 . . ?
C3E C4E C5E 118.7 . . ?
C3E C4E H4E 120.7 . . ?
C5E C4E H4E 120.7 . . ?
C6E C5E C4E 118.3 . . ?
C6E C5E H5E 120.8 . . ?
C4E C5E H5E 120.8 . . ?
N1E C6E C5E 123.3 . . ?
N1E C6E C7E 117.2 . . ?
C5E C6E C7E 119.5 . . ?
N8E C7E C6E 117.6(16) . . ?
N8E C7E H7E 121.2 . . ?
C6E C7E H7E 121.2 . . ?
O11E C10E N9E 123(3) . . ?
O11E C10E C12E 122(3) . . ?
N9E C10E C12E 114(3) . . ?
C13E C12E C17E 120.0 . . ?
C13E C12E C10E 125(2) . . ?
C17E C12E C10E 115(2) . . ?
C14E C13E C12E 120.0 . . ?
C14E C13E H13E 120.0 . . ?
C12E C13E H13E 120.0 . . ?
C15E C14E C13E 120.0 . . ?
C15E C14E S18E 121.8(13) . . ?
C13E C14E S18E 118.2(13) . . ?
C14E C15E C16E 120.0 . . ?
C14E C15E H15E 120.0 . . ?
C16E C15E H15E 120.0 . . ?
C17E C16E C15E 120.0 . . ?
C17E C16E C23E 116.2(19) . . ?
C15E C16E C23E 123.7(19) . . ?
C16E C17E C12E 120.0 . . ?
C16E C17E H17E 120.0 . . ?
C12E C17E H17E 120.0 . . ?
O22E C23E N24E 121(3) . . ?
O22E C23E C16E 119(3) . . ?
N24E C23E C16E 119(3) . . ?
N25E C26E C27E 116.9(18) . . ?
N25E C26E H26E 121.5 . . ?
C27E C26E H26E 121.5 . . ?
N32E C27E C28E 123.2 . . ?
N32E C27E C26E 117.2 . . ?
C28E C27E C26E 119.5 . . ?
C27E C28E C29E 118.3 . . ?
C27E C28E H28E 120.8 . . ?
C29E C28E H28E 120.8 . . ?
C30E C29E C28E 118.7 . . ?
C30E C29E H29E 120.7 . . ?
C28E C29E H29E 120.7 . . ?
C29E C30E C31E 119.8 . . ?
C29E C30E H30E 120.1 . . ?
C31E C30E H30E 120.1 . . ?
N32E C31E C30E 122.6 . . ?
N32E C31E H31E 118.7 . . ?
C30E C31E H31E 118.7 . . ?
C31E N32E C27E 117.3 . . ?
C31E N32E Zn6 132.0(9) . . ?
C27E N32E Zn6 110.6(9) . . ?
O19F S18F O20F 113.4 . . ?
O19F S18F O21F 113.0 . . ?
O20F S18F O21F 112.6 . . ?
O19F S18F C14F 105.8(7) . . ?
O20F S18F C14F 104.8(7) . . ?
O21F S18F C14F 106.3(7) . . ?
C10F O11F Zn6 111.6(17) . . ?
C23F O22F Cu7 107.4(18) . . ?
C7F N8F N9F 125(2) . . ?
C7F N8F Zn6 119.8(16) . . ?
N9F N8F Zn6 114.9(18) . . ?
C10F N9F N8F 112(3) . . ?
C23F N24F N25F 117(3) . . ?
C23F N24F H24F 121.4 . . ?
N25F N24F H24F 121.4 . . ?
C26F N25F N24F 119(2) . . ?
C26F N25F Cu7 123.8(18) . . ?
N24F N25F Cu7 117.2(18) . . ?
C2F N1F C6F 117.3 . . ?
C2F N1F Zn6 130.3(8) . . ?
C6F N1F Zn6 112.3(8) . . ?
N1F C2F C3F 122.5 . . ?
N1F C2F H2F 118.7 . . ?
C3F C2F H2F 118.7 . . ?
C4F C3F C2F 119.9 . . ?
C4F C3F H3F 120.1 . . ?
C2F C3F H3F 120.1 . . ?
C3F C4F C5F 118.7 . . ?
C3F C4F H4F 120.7 . . ?
C5F C4F H4F 120.7 . . ?
C6F C5F C4F 118.3 . . ?
C6F C5F H5F 120.8 . . ?
C4F C5F H5F 120.8 . . ?
N1F C6F C5F 123.3 . . ?
N1F C6F C7F 117.2 . . ?
C5F C6F C7F 119.4 . . ?
N8F C7F C6F 114.9(15) . . ?
N8F C7F H7F 122.5 . . ?
C6F C7F H7F 122.5 . . ?
O11F C10F N9F 125(3) . . ?
O11F C10F C12F 117(2) . . ?
N9F C10F C12F 118(3) . . ?
C13F C12F C17F 120.0 . . ?
C13F C12F C10F 120.5(18) . . ?
C17F C12F C10F 119.5(18) . . ?
C12F C13F C14F 120.0 . . ?
C12F C13F H13F 120.0 . . ?
C14F C13F H13F 120.0 . . ?
C15F C14F C13F 120.0 . . ?
C15F C14F S18F 117.4(11) . . ?
C13F C14F S18F 122.6(11) . . ?
C16F C15F C14F 120.0 . . ?
C16F C15F H15F 120.0 . . ?
C14F C15F H15F 120.0 . . ?
C15F C16F C17F 120.0 . . ?
C15F C16F C23F 123.5(17) . . ?
C17F C16F C23F 116.5(17) . . ?
C16F C17F C12F 120.0 . . ?
C16F C17F H17F 120.0 . . ?
C12F C17F H17F 120.0 . . ?
O22F C23F N24F 124(3) . . ?
O22F C23F C16F 121(3) . . ?
N24F C23F C16F 115(3) . . ?
N25F C26F C27F 112.2(16) . . ?
N25F C26F H26F 123.9 . . ?
C27F C26F H26F 123.9 . . ?
N32F C27F C28F 123.2 . . ?
N32F C27F C26F 117.2 . . ?
C28F C27F C26F 119.5 . . ?
C27F C28F C29F 118.3 . . ?
C27F C28F H28F 120.8 . . ?
C29F C28F H28F 120.8 . . ?
C30F C29F C28F 118.7 . . ?
C30F C29F H29F 120.7 . . ?
C28F C29F H29F 120.7 . . ?
C29F C30F C31F 119.8 . . ?
C29F C30F H30F 120.1 . . ?
C31F C30F H30F 120.1 . . ?
N32F C31F C30F 122.6 . . ?
N32F C31F H31F 118.7 . . ?
C30F C31F H31F 118.7 . . ?
C31F N32F C27F 117.3 . . ?
C31F N32F Cu7 131.4(8) . . ?
C27F N32F Cu7 110.9(8) . . ?
O19G S18G O20G 113.4 . . ?
O19G S18G O21G 113.0 . . ?
O20G S18G O21G 112.6 . . ?
O19G S18G C14G 105.7(8) . . ?
O20G S18G C14G 104.9(8) . . ?
O21G S18G C14G 106.2(8) . . ?
C10G O11G Cu7 109.1(18) . . ?
C23G O22G Zn8 114(2) . . ?
C7G N8G N9G 122(2) . . ?
C7G N8G Cu7 120.2(19) . . ?
N9G N8G Cu7 117.6(18) . . ?
C10G N9G N8G 111(3) . . ?
C23G N24G N25G 109(3) . . ?
N24G N25G C26G 118(2) . . ?
N24G N25G Zn8 124(2) . . ?
C26G N25G Zn8 117.9(16) . . ?
C2G N1G C6G 117.3 . . ?
C2G N1G Cu7 131.6(9) . . ?
C6G N1G Cu7 111.1(9) . . ?
N1G C2G C3G 122.6 . . ?
N1G C2G H2G 118.7 . . ?
C3G C2G H2G 118.7 . . ?
C4G C3G C2G 119.9 . . ?
C4G C3G H3G 120.1 . . ?
C2G C3G H3G 120.1 . . ?
C3G C4G C5G 118.7 . . ?
C3G C4G H4G 120.7 . . ?
C5G C4G H4G 120.7 . . ?
C6G C5G C4G 118.3 . . ?
C6G C5G H5G 120.8 . . ?
C4G C5G H5G 120.8 . . ?
N1G C6G C5G 123.2 . . ?
N1G C6G C7G 117.2 . . ?
C5G C6G C7G 119.5 . . ?
N8G C7G C6G 110.0(16) . . ?
N8G C7G H7G 125.0 . . ?
C6G C7G H7G 125.0 . . ?
O11G C10G N9G 123(3) . . ?
O11G C10G C12G 111(2) . . ?
N9G C10G C12G 124(3) . . ?
C13G C12G C17G 120.0 . . ?
C13G C12G C10G 120.9(18) . . ?
C17G C12G C10G 119.1(18) . . ?
C12G C13G C14G 120.0 . . ?
C12G C13G H13G 120.0 . . ?
C14G C13G H13G 120.0 . . ?
C15G C14G C13G 120.0 . . ?
C15G C14G S18G 118.1(12) . . ?
C13G C14G S18G 121.8(12) . . ?
C16G C15G C14G 120.0 . . ?
C16G C15G H15G 120.0 . . ?
C14G C15G H15G 120.0 . . ?
C15G C16G C17G 120.0 . . ?
C15G C16G C23G 121(2) . . ?
C17G C16G C23G 119(2) . . ?
C16G C17G C12G 120.0 . . ?
C16G C17G H17G 120.0 . . ?
C12G C17G H17G 120.0 . . ?
O22G C23G N24G 123(3) . . ?
O22G C23G C16G 119(3) . . ?
N24G C23G C16G 118(3) . . ?
N25G C26G C27G 113.8(15) . . ?
N25G C26G H26G 123.1 . . ?
C27G C26G H26G 123.1 . . ?
N32G C27G C28G 123.3 . . ?
N32G C27G C26G 117.2 . . ?
C28G C27G C26G 119.4 . . ?
C27G C28G C29G 118.3 . . ?
C27G C28G H28G 120.8 . . ?
C29G C28G H28G 120.8 . . ?
C30G C29G C28G 118.7 . . ?
C30G C29G H29G 120.7 . . ?
C28G C29G H29G 120.7 . . ?
C29G C30G C31G 119.9 . . ?
C29G C30G H30G 120.1 . . ?
C31G C30G H30G 120.1 . . ?
N32G C31G C30G 122.6 . . ?
N32G C31G H31G 118.7 . . ?
C30G C31G H31G 118.7 . . ?
C31G N32G C27G 117.3 . . ?
C31G N32G Zn8 129.4(8) . . ?
C27G N32G Zn8 112.7(8) . . ?
O19H S18H O20H 113.4 . . ?
O19H S18H O21H 113.0 . . ?
O20H S18H O21H 112.6 . . ?
O19H S18H C14H 106.5(8) . . ?
O20H S18H C14H 106.1(8) . . ?
O21H S18H C14H 104.4(8) . . ?
C10H O11H Zn8 109.9(16) . . ?
C23H O22H Zn5 113(2) . . ?
C7H N8H N9H 117(2) . . ?
C7H N8H Zn8 120.7(16) . . ?
N9H N8H Zn8 122.1(17) . . ?
C10H N9H N8H 106(3) . . ?
N25H N24H C23H 110(2) . . ?
C26H N25H N24H 122(2) . . ?
C26H N25H Zn5 119.1(16) . . ?
N24H N25H Zn5 118.5(17) . . ?
C2H N1H C6H 117.3 . . ?
C2H N1H Zn8 129.0(7) . . ?
C6H N1H Zn8 113.5(7) . . ?
N1H C2H C3H 122.6 . . ?
N1H C2H H2H 118.7 . . ?
C3H C2H H2H 118.7 . . ?
C4H C3H C2H 119.8 . . ?
C4H C3H H3H 120.1 . . ?
C2H C3H H3H 120.1 . . ?
C3H C4H C5H 118.7 . . ?
C3H C4H H4H 120.7 . . ?
C5H C4H H4H 120.7 . . ?
C6H C5H C4H 118.3 . . ?
C6H C5H H5H 120.8 . . ?
C4H C5H H5H 120.8 . . ?
N1H C6H C5H 123.2 . . ?
N1H C6H C7H 117.2 . . ?
C5H C6H C7H 119.5 . . ?
N8H C7H C6H 112.4(14) . . ?
N8H C7H H7H 123.8 . . ?
C6H C7H H7H 123.8 . . ?
N9H C10H O11H 130(3) . . ?
N9H C10H C12H 113(3) . . ?
O11H C10H C12H 116(2) . . ?
C13H C12H C17H 120.0 . . ?
C13H C12H C10H 123.6(17) . . ?
C17H C12H C10H 116.4(17) . . ?
C12H C13H C14H 120.0 . . ?
C12H C13H H13H 120.0 . . ?
C14H C13H H13H 120.0 . . ?
C15H C14H C13H 120.0 . . ?
C15H C14H S18H 117.0(11) . . ?
C13H C14H S18H 123.0(11) . . ?
C16H C15H C14H 120.0 . . ?
C16H C15H H15H 120.0 . . ?
C14H C15H H15H 120.0 . . ?
C15H C16H C17H 120.0 . . ?
C15H C16H C23H 129.0(17) . . ?
C17H C16H C23H 111.0(17) . . ?
C16H C17H C12H 120.0 . . ?
C16H C17H H17H 120.0 . . ?
C12H C17H H17H 120.0 . . ?
O22H C23H N24H 123(3) . . ?
O22H C23H C16H 122(3) . . ?
N24H C23H C16H 114(3) . . ?
N25H C26H C27H 113.4(14) . . ?
N25H C26H H26H 123.3 . . ?
C27H C26H H26H 123.3 . . ?
N32H C27H C28H 123.3 . . ?
N32H C27H C26H 117.2 . . ?
C28H C27H C26H 119.4 . . ?
C27H C28H C29H 118.3 . . ?
C27H C28H H28H 120.9 . . ?
C29H C28H H28H 120.9 . . ?
C30H C29H C28H 118.7 . . ?
C30H C29H H29H 120.7 . . ?
C28H C29H H29H 120.7 . . ?
C29H C30H C31H 119.9 . . ?
C29H C30H H30H 120.1 . . ?
C31H C30H H30H 120.1 . . ?
N32H C31H C30H 122.5 . . ?
N32H C31H H31H 118.7 . . ?
C30H C31H H31H 118.7 . . ?
C31H N32H C27H 117.3 . . ?
C31H N32H Zn5 131.5(8) . . ?
C27H N32H Zn5 111.2(8) . . ?
O19I S18I O20I 113.4 . . ?
O19I S18I O21I 113.0 . . ?
O20I S18I O21I 112.6 . . ?
O19I S18I C14I 106.7(9) . . ?
O20I S18I C14I 105.9(8) . . ?
O21I S18I C14I 104.3(9) . . ?
C10I O11I Cu9 107(2) . . ?
C7I N8I N9I 117(2) . . ?
C7I N8I Cu9 125.3(19) . . ?
N9I N8I Cu9 117(2) . . ?
C10I N9I N8I 113(3) . . ?
C23I N24I N25I 126(3) . . ?
C23I N24I H24I 117.2 . . ?
N25I N24I H24I 117.2 . . ?
C26I N25I N24I 128(2) . . ?
C26I N25I Cu10 113(2) . . ?
N24I N25I Cu10 118(2) . . ?
C2I N1I C6I 117.3 . . ?
C2I N1I Cu9 130.5(9) . . ?
C6I N1I Cu9 112.2(9) . . ?
N1I C2I C3I 122.6 . . ?
N1I C2I H2I 118.7 . . ?
C3I C2I H2I 118.7 . . ?
C4I C3I C2I 119.9 . . ?
C4I C3I H3I 120.1 . . ?
C2I C3I H3I 120.1 . . ?
C3I C4I C5I 118.7 . . ?
C3I C4I H4I 120.7 . . ?
C5I C4I H4I 120.7 . . ?
C6I C5I C4I 118.3 . . ?
C6I C5I H5I 120.8 . . ?
C4I C5I H5I 120.8 . . ?
N1I C6I C5I 123.2 . . ?
N1I C6I C7I 117.2 . . ?
C5I C6I C7I 119.5 . . ?
N8I C7I C6I 111.2(16) . . ?
N8I C7I H7I 124.4 . . ?
C6I C7I H7I 124.4 . . ?
O11I C10I N9I 126(3) . . ?
O11I C10I C12I 115(3) . . ?
N9I C10I C12I 119(3) . . ?
C13I C12I C17I 120.0 . . ?
C13I C12I C10I 118(2) . . ?
C17I C12I C10I 122(2) . . ?
C14I C13I C12I 120.0 . . ?
C14I C13I H13I 120.0 . . ?
C12I C13I H13I 120.0 . . ?
C13I C14I C15I 120.0 . . ?
C13I C14I S18I 121.1(14) . . ?
C15I C14I S18I 118.9(14) . . ?
C16I C15I C14I 120.0 . . ?
C16I C15I H15I 120.0 . . ?
C14I C15I H15I 120.0 . . ?
C17I C16I C15I 120.0 . . ?
C17I C16I C23I 120(2) . . ?
C15I C16I C23I 120(2) . . ?
C16I C17I C12I 120.0 . . ?
C16I C17I H17I 120.0 . . ?
C12I C17I H17I 120.0 . . ?
O22I C23I N24I 123(4) . . ?
O22I C23I C16I 115(3) . . ?
N24I C23I C16I 121(3) . . ?
N25I C26I C27I 117.6(17) . . ?
N25I C26I H26I 121.2 . . ?
C27I C26I H26I 121.2 . . ?
N32I C27I C28I 123.3 . . ?
N32I C27I C26I 117.2 . . ?
C28I C27I C26I 119.5 . . ?
C27I C28I C29I 118.3 . . ?
C27I C28I H28I 120.8 . . ?
C29I C28I H28I 120.8 . . ?
C30I C29I C28I 118.6 . . ?
C30I C29I H29I 120.7 . . ?
C28I C29I H29I 120.7 . . ?
C29I C30I C31I 119.9 . . ?
C29I C30I H30I 120.1 . . ?
C31I C30I H30I 120.1 . . ?
N32I C31I C30I 122.6 . . ?
N32I C31I H31I 118.7 . . ?
C30I C31I H31I 118.7 . . ?
C31I N32I C27I 117.3 . . ?
C31I N32I Cu10 133.3(8) . . ?
C27I N32I Cu10 109.2(8) . . ?
O19J S18J O20J 113.4 . . ?
O19J S18J O21J 113.0 . . ?
O20J S18J O21J 112.6 . . ?
O19J S18J C14J 107.1(9) . . ?
O20J S18J C14J 107.1(8) . . ?
O21J S18J C14J 102.6(9) . . ?
C23J O22J Cu11 105(2) . . ?
C7J N8J N9J 116(2) . . ?
C7J N8J Cu10 116(2) . . ?
N9J N8J Cu10 127(2) . . ?
N8J N9J C10J 139(3) . . ?
N8J N9J H9J 110.4 . . ?
C10J N9J H9J 110.4 . . ?
C23J N24J N25J 111(3) . . ?
C26J N25J N24J 124(3) . . ?
C26J N25J Cu11 117(2) . . ?
N24J N25J Cu11 119(2) . . ?
C2J N1J C6J 117.3 . . ?
C2J N1J Cu10 133.0(8) . . ?
C6J N1J Cu10 109.6(8) . . ?
N1J C2J C3J 122.6 . . ?
N1J C2J H2J 118.7 . . ?
C3J C2J H2J 118.7 . . ?
C4J C3J C2J 119.8 . . ?
C4J C3J H3J 120.1 . . ?
C2J C3J H3J 120.1 . . ?
C3J C4J C5J 118.7 . . ?
C3J C4J H4J 120.7 . . ?
C5J C4J H4J 120.7 . . ?
C6J C5J C4J 118.3 . . ?
C6J C5J H5J 120.8 . . ?
C4J C5J H5J 120.8 . . ?
N1J C6J C5J 123.2 . . ?
N1J C6J C7J 117.2 . . ?
C5J C6J C7J 119.5 . . ?
N8J C7J C6J 113.4(17) . . ?
N8J C7J H7J 123.3 . . ?
C6J C7J H7J 123.3 . . ?
O11J C10J N9J 113(3) . . ?
O11J C10J C12J 114(3) . . ?
N9J C10J C12J 133(3) . . ?
C13J C12J C17J 120.0 . . ?
C13J C12J C10J 124(2) . . ?
C17J C12J C10J 116(2) . . ?
C12J C13J C14J 120.0 . . ?
C12J C13J H13J 120.0 . . ?
C14J C13J H13J 120.0 . . ?
C15J C14J C13J 120.0 . . ?
C15J C14J S18J 120.4(13) . . ?
C13J C14J S18J 119.6(13) . . ?
C14J C15J C16J 120.0 . . ?
C14J C15J H15J 120.0 . . ?
C16J C15J H15J 120.0 . . ?
C17J C16J C15J 120.0 . . ?
C17J C16J C23J 123(2) . . ?
C15J C16J C23J 117(2) . . ?
C16J C17J C12J 120.0 . . ?
C16J C17J H17J 120.0 . . ?
C12J C17J H17J 120.0 . . ?
N24J C23J O22J 132(3) . . ?
N24J C23J C16J 121(3) . . ?
O22J C23J C16J 108(3) . . ?
N25J C26J C27J 118.2(17) . . ?
N25J C26J H26J 120.9 . . ?
C27J C26J H26J 120.9 . . ?
N32J C27J C28J 123.3 . . ?
N32J C27J C26J 117.2 . . ?
C28J C27J C26J 119.5 . . ?
C27J C28J C29J 118.3 . . ?
C27J C28J H28J 120.8 . . ?
C29J C28J H28J 120.8 . . ?
C30J C29J C28J 118.6 . . ?
C30J C29J H29J 120.7 . . ?
C28J C29J H29J 120.7 . . ?
C29J C30J C31J 119.9 . . ?
C29J C30J H30J 120.1 . . ?
C31J C30J H30J 120.1 . . ?
N32J C31J C30J 122.6 . . ?
N32J C31J H31J 118.7 . . ?
C30J C31J H31J 118.7 . . ?
C31J N32J C27J 117.3 . . ?
C31J N32J Cu11 131.9(9) . . ?
C27J N32J Cu11 110.9(9) . . ?
O19K S18K O20K 113.4 . . ?
O19K S18K O21K 113.0 . . ?
O20K S18K O21K 112.6 . . ?
O19K S18K C14K 106.2(7) . . ?
O20K S18K C14K 105.7(7) . . ?
O21K S18K C14K 105.0(7) . . ?
C10K O11K Cu11 112.0(18) . . ?
C23K O22K Cu12 112(2) . . ?
C7K N8K N9K 122(2) . . ?
C7K N8K Cu11 115.9(16) . . ?
N9K N8K Cu11 121.6(17) . . ?
C10K N9K N8K 106(2) . . ?
N25K N24K C23K 105(2) . . ?
C26K N25K N24K 118(2) . . ?
C26K N25K Cu12 121.4(19) . . ?
N24K N25K Cu12 121(2) . . ?
C2K N1K C6K 117.3 . . ?
C2K N1K Cu11 132.7(8) . . ?
C6K N1K Cu11 110.0(8) . . ?
N1K C2K C3K 122.6 . . ?
N1K C2K H2K 118.7 . . ?
C3K C2K H2K 118.7 . . ?
C4K C3K C2K 119.9 . . ?
C4K C3K H3K 120.1 . . ?
C2K C3K H3K 120.1 . . ?
C3K C4K C5K 118.7 . . ?
C3K C4K H4K 120.7 . . ?
C5K C4K H4K 120.7 . . ?
C6K C5K C4K 118.3 . . ?
C6K C5K H5K 120.8 . . ?
C4K C5K H5K 120.8 . . ?
N1K C6K C5K 123.3 . . ?
N1K C6K C7K 117.2 . . ?
C5K C6K C7K 119.5 . . ?
N8K C7K C6K 114.2(13) . . ?
N8K C7K H7K 122.9 . . ?
C6K C7K H7K 122.9 . . ?
O11K C10K N9K 125(3) . . ?
O11K C10K C12K 121(2) . . ?
N9K C10K C12K 114(2) . . ?
C13K C12K C17K 120.0 . . ?
C13K C12K C10K 122.0(17) . . ?
C17K C12K C10K 118.0(17) . . ?
C12K C13K C14K 120.0 . . ?
C12K C13K H13K 120.0 . . ?
C14K C13K H13K 120.0 . . ?
C13K C14K C15K 120.0 . . ?
C13K C14K S18K 119.6(10) . . ?
C15K C14K S18K 120.4(11) . . ?
C16K C15K C14K 120.0 . . ?
C16K C15K H15K 120.0 . . ?
C14K C15K H15K 120.0 . . ?
C15K C16K C17K 120.0 . . ?
C15K C16K C23K 126.5(18) . . ?
C17K C16K C23K 113.5(18) . . ?
C16K C17K C12K 120.0 . . ?
C16K C17K H17K 120.0 . . ?
C12K C17K H17K 120.0 . . ?
O22K C23K N24K 125(3) . . ?
O22K C23K C16K 123(3) . . ?
N24K C23K C16K 112(3) . . ?
N25K C26K C27K 111.6(17) . . ?
N25K C26K H26K 124.2 . . ?
C27K C26K H26K 124.2 . . ?
N32K C27K C28K 123.2 . . ?
N32K C27K C26K 117.2 . . ?
C28K C27K C26K 119.5 . . ?
C27K C28K C29K 118.3 . . ?
C27K C28K H28K 120.8 . . ?
C29K C28K H28K 120.8 . . ?
C30K C29K C28K 118.7 . . ?
C30K C29K H29K 120.7 . . ?
C28K C29K H29K 120.7 . . ?
C29K C30K C31K 119.9 . . ?
C29K C30K H30K 120.1 . . ?
C31K C30K H30K 120.1 . . ?
N32K C31K C30K 122.6 . . ?
N32K C31K H31K 118.7 . . ?
C30K C31K H31K 118.7 . . ?
C31K N32K C27K 117.3 . . ?
C31K N32K Cu12 133.3(10) . . ?
C27K N32K Cu12 109.3(10) . . ?
O19L S18L O20L 113.4 . . ?
O19L S18L O21L 113.0 . . ?
O20L S18L O21L 112.6 . . ?
O19L S18L C14L 106.3(8) . . ?
O20L S18L C14L 104.2(7) . . ?
O21L S18L C14L 106.4(8) . . ?
C10L O11L Cu12 108(2) . . ?
C23L O22L Cu9 115(2) . . ?
C7L N8L N9L 119(3) . . ?
C7L N8L Cu12 119(2) . . ?
N9L N8L Cu12 121(2) . . ?
C10L N9L N8L 109(3) . . ?
N25L N24L C23L 112(3) . . ?
C26L N25L N24L 119(3) . . ?
C26L N25L Cu9 121(2) . . ?
N24L N25L Cu9 119(2) . . ?
C2L N1L C6L 117.3 . . ?
C2L N1L Cu12 132.1(10) . . ?
C6L N1L Cu12 109.8(10) . . ?
N1L C2L C3L 122.6 . . ?
N1L C2L H2L 118.7 . . ?
C3L C2L H2L 118.7 . . ?
C4L C3L C2L 119.9 . . ?
C4L C3L H3L 120.1 . . ?
C2L C3L H3L 120.1 . . ?
C3L C4L C5L 118.6 . . ?
C3L C4L H4L 120.7 . . ?
C5L C4L H4L 120.7 . . ?
C6L C5L C4L 118.3 . . ?
C6L C5L H5L 120.8 . . ?
C4L C5L H5L 120.8 . . ?
N1L C6L C5L 123.3 . . ?
N1L C6L C7L 117.2 . . ?
C5L C6L C7L 119.5 . . ?
N8L C7L C6L 116.6(19) . . ?
N8L C7L H7L 121.7 . . ?
C6L C7L H7L 121.7 . . ?
O11L C10L N9L 128(3) . . ?
O11L C10L C12L 115(3) . . ?
N9L C10L C12L 116(3) . . ?
C13L C12L C17L 120.0 . . ?
C13L C12L C10L 121(2) . . ?
C17L C12L C10L 119(2) . . ?
C12L C13L C14L 120.0 . . ?
C12L C13L H13L 120.0 . . ?
C14L C13L H13L 120.0 . . ?
C15L C14L C13L 120.0 . . ?
C15L C14L S18L 120.0(12) . . ?
C13L C14L S18L 120.0(12) . . ?
C16L C15L C14L 120.0 . . ?
C16L C15L H15L 120.0 . . ?
C14L C15L H15L 120.0 . . ?
C15L C16L C17L 120.0 . . ?
C15L C16L C23L 125(2) . . ?
C17L C16L C23L 115(2) . . ?
C16L C17L C12L 120.0 . . ?
C16L C17L H17L 120.0 . . ?
C12L C17L H17L 120.0 . . ?
O22L C23L C16L 123(3) . . ?
O22L C23L N24L 117(3) . . ?
C16L C23L N24L 120(3) . . ?
N25L C26L C27L 111(2) . . ?
N25L C26L H26L 124.7 . . ?
C27L C26L H26L 124.7 . . ?
N32L C27L C28L 123.2 . . ?
N32L C27L C26L 117.2 . . ?
C28L C27L C26L 119.5 . . ?
C27L C28L C29L 118.3 . . ?
C27L C28L H28L 120.8 . . ?
C29L C28L H28L 120.8 . . ?
C30L C29L C28L 118.6 . . ?
C30L C29L H29L 120.7 . . ?
C28L C29L H29L 120.7 . . ?
C29L C30L C31L 119.9 . . ?
C29L C30L H30L 120.1 . . ?
C31L C30L H30L 120.1 . . ?
N32L C31L C30L 122.6 . . ?
N32L C31L H31L 118.7 . . ?
C30L C31L H31L 118.7 . . ?
C31L N32L C27L 117.3 . . ?
C31L N32L Cu9 131.9(11) . . ?
C27L N32L Cu9 110.8(11) . . ?
O19M S18M O20M 113.4 . . ?
O19M S18M O21M 113.0 . . ?
O20M S18M O21M 112.6 . . ?
O19M S18M C14M 107.1(7) . . ?
O20M S18M C14M 105.2(6) . . ?
O21M S18M C14M 104.6(7) . . ?
C10M O11M Zn13 107.1(18) . . ?
C23M O22M Cu14 112.9(18) . . ?
C7M N8M N9M 124(2) . . ?
C7M N8M Zn13 117(2) . . ?
N9M N8M Zn13 118.7(18) . . ?
C10M N9M N8M 111(2) . . ?
C23M N24M N25M 121(2) . . ?
C23M N24M H24M 119.5 . . ?
N25M N24M H24M 119.5 . . ?
C26M N25M N24M 120(2) . . ?
C26M N25M Cu14 123.0(15) . . ?
N24M N25M Cu14 116.5(17) . . ?
C2M N1M C6M 117.3 . . ?
C2M N1M Zn13 133.5(9) . . ?
C6M N1M Zn13 108.8(9) . . ?
N1M C2M C3M 122.6 . . ?
N1M C2M H2M 118.7 . . ?
C3M C2M H2M 118.7 . . ?
C4M C3M C2M 119.9 . . ?
C4M C3M H3M 120.1 . . ?
C2M C3M H3M 120.1 . . ?
C3M C4M C5M 118.7 . . ?
C3M C4M H4M 120.7 . . ?
C5M C4M H4M 120.7 . . ?
C6M C5M C4M 118.3 . . ?
C6M C5M H5M 120.8 . . ?
C4M C5M H5M 120.8 . . ?
N1M C6M C5M 123.3 . . ?
N1M C6M C7M 117.2 . . ?
C5M C6M C7M 119.4 . . ?
N8M C7M C6M 117.2(17) . . ?
N8M C7M H7M 121.4 . . ?
C6M C7M H7M 121.4 . . ?
O11M C10M N9M 128(3) . . ?
O11M C10M C12M 119(3) . . ?
N9M C10M C12M 112(2) . . ?
C13M C12M C17M 120.0 . . ?
C13M C12M C10M 126.8(16) . . ?
C17M C12M C10M 113.2(16) . . ?
C12M C13M C14M 120.0 . . ?
C12M C13M H13M 120.0 . . ?
C14M C13M H13M 120.0 . . ?
C13M C14M C15M 120.0 . . ?
C13M C14M S18M 117.7(10) . . ?
C15M C14M S18M 122.2(10) . . ?
C14M C15M C16M 120.0 . . ?
C14M C15M H15M 120.0 . . ?
C16M C15M H15M 120.0 . . ?
C17M C16M C15M 120.0 . . ?
C17M C16M C23M 117.9(16) . . ?
C15M C16M C23M 122.0(16) . . ?
C16M C17M C12M 120.0 . . ?
C16M C17M H17M 120.0 . . ?
C12M C17M H17M 120.0 . . ?
O22M C23M N24M 117(3) . . ?
O22M C23M C16M 121(3) . . ?
N24M C23M C16M 121(2) . . ?
N25M C26M C27M 113.6(13) . . ?
N25M C26M H26M 123.2 . . ?
C27M C26M H26M 123.2 . . ?
N32M C27M C28M 123.3 . . ?
N32M C27M C26M 117.2 . . ?
C28M C27M C26M 119.4 . . ?
C27M C28M C29M 118.3 . . ?
C27M C28M H28M 120.8 . . ?
C29M C28M H28M 120.8 . . ?
C30M C29M C28M 118.7 . . ?
C30M C29M H29M 120.7 . . ?
C28M C29M H29M 120.7 . . ?
C29M C30M C31M 119.9 . . ?
C29M C30M H30M 120.1 . . ?
C31M C30M H30M 120.1 . . ?
N32M C31M C30M 122.5 . . ?
N32M C31M H31M 118.7 . . ?
C30M C31M H31M 118.7 . . ?
C31M N32M C27M 117.3 . . ?
C31M N32M Cu14 130.9(7) . . ?
C27M N32M Cu14 111.8(7) . . ?
O19N S18N O20N 113.4 . . ?
O19N S18N O21N 113.0 . . ?
O20N S18N O21N 112.6 . . ?
O19N S18N C14N 106.7(7) . . ?
O20N S18N C14N 105.9(7) . . ?
O21N S18N C14N 104.4(8) . . ?
C10N O11N Cu14 113.7(19) . . ?
C23N O22N Zn15 110(2) . . ?
C7N N8N N9N 126(2) . . ?
C7N N8N Cu14 117.6(18) . . ?
N9N N8N Cu14 116(2) . . ?
C10N N9N N8N 112(2) . . ?
C23N N24N N25N 109(2) . . ?
C26N N25N N24N 122(2) . . ?
C26N N25N Zn15 119.8(19) . . ?
N24N N25N Zn15 118.5(18) . . ?
C2N N1N C6N 117.3 . . ?
C2N N1N Cu14 132.2(9) . . ?
C6N N1N Cu14 110.5(9) . . ?
N1N C2N C3N 122.6 . . ?
N1N C2N H2N 118.7 . . ?
C3N C2N H2N 118.7 . . ?
C4N C3N C2N 119.9 . . ?
C4N C3N H3N 120.1 . . ?
C2N C3N H3N 120.1 . . ?
C3N C4N C5N 118.7 . . ?
C3N C4N H4N 120.7 . . ?
C5N C4N H4N 120.7 . . ?
C6N C5N C4N 118.3 . . ?
C6N C5N H5N 120.8 . . ?
C4N C5N H5N 120.8 . . ?
N1N C6N C5N 123.3 . . ?
N1N C6N C7N 117.2 . . ?
C5N C6N C7N 119.5 . . ?
N8N C7N C6N 114.1(16) . . ?
N8N C7N H7N 122.9 . . ?
C6N C7N H7N 122.9 . . ?
O11N C10N N9N 120(3) . . ?
O11N C10N C12N 122(3) . . ?
N9N C10N C12N 117(3) . . ?
C13N C12N C17N 120.0 . . ?
C13N C12N C10N 122.8(18) . . ?
C17N C12N C10N 117.2(18) . . ?
C14N C13N C12N 120.0 . . ?
C14N C13N H13N 120.0 . . ?
C12N C13N H13N 120.0 . . ?
C13N C14N C15N 120.0 . . ?
C13N C14N S18N 121.8(11) . . ?
C15N C14N S18N 118.2(11) . . ?
C14N C15N C16N 120.0 . . ?
C14N C15N H15N 120.0 . . ?
C16N C15N H15N 120.0 . . ?
C17N C16N C15N 120.0 . . ?
C17N C16N C23N 113.0(17) . . ?
C15N C16N C23N 126.9(17) . . ?
C16N C17N C12N 120.0 . . ?
C16N C17N H17N 120.0 . . ?
C12N C17N H17N 120.0 . . ?
O22N C23N N24N 128(3) . . ?
O22N C23N C16N 122(3) . . ?
N24N C23N C16N 110(2) . . ?
N25N C26N C27N 114.0(15) . . ?
N25N C26N H26N 123.0 . . ?
C27N C26N H26N 123.0 . . ?
N32N C27N C28N 123.3 . . ?
N32N C27N C26N 117.2 . . ?
C28N C27N C26N 119.5 . . ?
C27N C28N C29N 118.3 . . ?
C27N C28N H28N 120.8 . . ?
C29N C28N H28N 120.8 . . ?
C30N C29N C28N 118.7 . . ?
C30N C29N H29N 120.7 . . ?
C28N C29N H29N 120.7 . . ?
C29N C30N C31N 119.8 . . ?
C29N C30N H30N 120.1 . . ?
C31N C30N H30N 120.1 . . ?
N32N C31N C30N 122.6 . . ?
N32N C31N H31N 118.7 . . ?
C30N C31N H31N 118.7 . . ?
C31N N32N C27N 117.3 . . ?
C31N N32N Zn15 131.1(8) . . ?
C27N N32N Zn15 111.6(8) . . ?
O19O S18O O20O 113.4 . . ?
O19O S18O O21O 113.0 . . ?
O20O S18O O21O 112.6 . . ?
O19O S18O C14O 106.3(7) . . ?
O20O S18O C14O 105.5(6) . . ?
O21O S18O C14O 105.0(7) . . ?
C10O O11O Zn15 113.3(16) . . ?
C23O O22O Zn16 114.7(17) . . ?
C7O N8O N9O 122.9(19) . . ?
C7O N8O Zn15 118.1(16) . . ?
N9O N8O Zn15 118.7(16) . . ?
N8O N9O C10O 111(2) . . ?
C23O N24O N25O 110(2) . . ?
C26O N25O N24O 120(2) . . ?
C26O N25O Zn16 122.3(16) . . ?
N24O N25O Zn16 117.8(16) . . ?
C2O N1O C6O 117.3 . . ?
C2O N1O Zn15 131.7(8) . . ?
C6O N1O Zn15 110.9(8) . . ?
N1O C2O C3O 122.6 . . ?
N1O C2O H2O 118.7 . . ?
C3O C2O H2O 118.7 . . ?
C4O C3O C2O 119.9 . . ?
C4O C3O H3O 120.1 . . ?
C2O C3O H3O 120.1 . . ?
C3O C4O C5O 118.7 . . ?
C3O C4O H4O 120.7 . . ?
C5O C4O H4O 120.7 . . ?
C6O C5O C4O 118.3 . . ?
C6O C5O H5O 120.8 . . ?
C4O C5O H5O 120.8 . . ?
N1O C6O C5O 123.3 . . ?
N1O C6O C7O 117.2 . . ?
C5O C6O C7O 119.4 . . ?
N8O C7O C6O 114.7(14) . . ?
N8O C7O H7O 122.6 . . ?
C6O C7O H7O 122.6 . . ?
O11O C10O N9O 123(2) . . ?
O11O C10O C12O 121(2) . . ?
N9O C10O C12O 116(2) . . ?
C13O C12O C17O 120.0 . . ?
C13O C12O C10O 125.7(14) . . ?
C17O C12O C10O 114.3(14) . . ?
C12O C13O C14O 120.0 . . ?
C12O C13O H13O 120.0 . . ?
C14O C13O H13O 120.0 . . ?
C15O C14O C13O 120.0 . . ?
C15O C14O S18O 119.5(9) . . ?
C13O C14O S18O 120.5(9) . . ?
C14O C15O C16O 120.0 . . ?
C14O C15O H15O 120.0 . . ?
C16O C15O H15O 120.0 . . ?
C17O C16O C15O 120.0 . . ?
C17O C16O C23O 115.3(15) . . ?
C15O C16O C23O 124.5(15) . . ?
C16O C17O C12O 120.0 . . ?
C16O C17O H17O 120.0 . . ?
C12O C17O H17O 120.0 . . ?
O22O C23O N24O 123(3) . . ?
O22O C23O C16O 120(2) . . ?
N24O C23O C16O 117(2) . . ?
N25O C26O C27O 111.4(14) . . ?
N25O C26O H26O 124.3 . . ?
C27O C26O H26O 124.3 . . ?
N32O C27O C28O 123.2 . . ?
N32O C27O C26O 117.2 . . ?
C28O C27O C26O 119.5 . . ?
C27O C28O C29O 118.3 . . ?
C27O C28O H28O 120.8 . . ?
C29O C28O H28O 120.8 . . ?
C30O C29O C28O 118.7 . . ?
C30O C29O H29O 120.7 . . ?
C28O C29O H29O 120.7 . . ?
C29O C30O C31O 119.8 . . ?
C29O C30O H30O 120.1 . . ?
C31O C30O H30O 120.1 . . ?
N32O C31O C30O 122.6 . . ?
N32O C31O H31O 118.7 . . ?
C30O C31O H31O 118.7 . . ?
C31O N32O C27O 117.3 . . ?
C31O N32O Zn16 128.9(7) . . ?
C27O N32O Zn16 113.4(7) . . ?
O19P S18P O20P 113.4 . . ?
O19P S18P O21P 113.0 . . ?
O20P S18P O21P 112.6 . . ?
O19P S18P C14P 106.0(8) . . ?
O20P S18P C14P 104.0(7) . . ?
O21P S18P C14P 107.0(8) . . ?
C10P O11P Zn16 115.4(19) . . ?
C23P O22P Zn13 111(2) . . ?
C7P N8P N9P 117(2) . . ?
C7P N8P Zn16 123.1(19) . . ?
N9P N8P Zn16 120(2) . . ?
C10P N9P N8P 114(3) . . ?
C23P N24P N25P 110(3) . . ?
C26P N25P N24P 126(2) . . ?
C26P N25P Zn13 118(2) . . ?
N24P N25P Zn13 116(2) . . ?
C2P N1P C6P 117.3 . . ?
C2P N1P Zn16 130.3(8) . . ?
C6P N1P Zn16 112.3(8) . . ?
N1P C2P C3P 122.6 . . ?
N1P C2P H2P 118.7 . . ?
C3P C2P H2P 118.7 . . ?
C4P C3P C2P 119.9 . . ?
C4P C3P H3P 120.1 . . ?
C2P C3P H3P 120.1 . . ?
C3P C4P C5P 118.7 . . ?
C3P C4P H4P 120.7 . . ?
C5P C4P H4P 120.7 . . ?
C6P C5P C4P 118.3 . . ?
C6P C5P H5P 120.8 . . ?
C4P C5P H5P 120.8 . . ?
N1P C6P C5P 123.2 . . ?
N1P C6P C7P 117.2 . . ?
C5P C6P C7P 119.5 . . ?
N8P C7P C6P 112.6(16) . . ?
N8P C7P H7P 123.7 . . ?
C6P C7P H7P 123.7 . . ?
N9P C10P O11P 118(3) . . ?
N9P C10P C12P 125(3) . . ?
O11P C10P C12P 117(3) . . ?
C13P C12P C17P 120.0 . . ?
C13P C12P C10P 119(2) . . ?
C17P C12P C10P 121(2) . . ?
C12P C13P C14P 120.0 . . ?
C12P C13P H13P 120.0 . . ?
C14P C13P H13P 120.0 . . ?
C15P C14P C13P 120.0 . . ?
C15P C14P S18P 118.8(13) . . ?
C13P C14P S18P 121.1(13) . . ?
C14P C15P C16P 120.0 . . ?
C14P C15P H15P 120.0 . . ?
C16P C15P H15P 120.0 . . ?
C17P C16P C15P 120.0 . . ?
C17P C16P C23P 114(2) . . ?
C15P C16P C23P 126(2) . . ?
C16P C17P C12P 120.0 . . ?
C16P C17P H17P 120.0 . . ?
C12P C17P H17P 120.0 . . ?
O22P C23P N24P 125(3) . . ?
O22P C23P C16P 118(3) . . ?
N24P C23P C16P 118(3) . . ?
N25P C26P C27P 114.3(18) . . ?
N25P C26P H26P 122.9 . . ?
C27P C26P H26P 122.9 . . ?
N32P C27P C28P 123.3 . . ?
N32P C27P C26P 117.2 . . ?
C28P C27P C26P 119.5 . . ?
C27P C28P C29P 118.3 . . ?
C27P C28P H28P 120.8 . . ?
C29P C28P H28P 120.8 . . ?
C30P C29P C28P 118.6 . . ?
C30P C29P H29P 120.7 . . ?
C28P C29P H29P 120.7 . . ?
C29P C30P C31P 119.9 . . ?
C29P C30P H30P 120.1 . . ?
C31P C30P H30P 120.1 . . ?
N32P C31P C30P 122.6 . . ?
N32P C31P H31P 118.7 . . ?
C30P C31P H31P 118.7 . . ?
C31P N32P C27P 117.3 . . ?
C31P N32P Zn13 130.8(10) . . ?
C27P N32P Zn13 112.0(10) . . ?
O1Z Zn1Z O5Z 90.6 . . ?
O1Z Zn1Z O4Z 91.7 . . ?
O5Z Zn1Z O4Z 88.5 . . ?
O1Z Zn1Z O3Z 91.4 . . ?
O5Z Zn1Z O3Z 177.9 . . ?
O4Z Zn1Z O3Z 91.2 . . ?
O1Z Zn1Z O2Z 91.8 . . ?
O5Z Zn1Z O2Z 92.0 . . ?
O4Z Zn1Z O2Z 176.5 . . ?
O3Z Zn1Z O2Z 88.1 . . ?
O1Z Zn1Z O6Z 179.81(6) . . ?
O5Z Zn1Z O6Z 89.2 . . ?
O4Z Zn1Z O6Z 88.3 . . ?
O3Z Zn1Z O6Z 88.8 . . ?
O2Z Zn1Z O6Z 88.2 . . ?
C1Z O1Z Zn1Z 135.9 . . ?
C1Z N1Z C3Z 121.6 . . ?
C1Z N1Z C2Z 121.5 . . ?
C3Z N1Z C2Z 116.8 . . ?
O1Z C1Z N1Z 124.4 . . ?
O1Z C1Z H1Z 117.8 . . ?
N1Z C1Z H1Z 117.8 . . ?
N1Z C2Z H2Z1 109.5 . . ?
N1Z C2Z H2Z2 109.5 . . ?
H2Z1 C2Z H2Z2 109.5 . . ?
N1Z C2Z H2Z3 109.5 . . ?
H2Z1 C2Z H2Z3 109.5 . . ?
H2Z2 C2Z H2Z3 109.5 . . ?
N1Z C3Z H3Z1 109.5 . . ?
N1Z C3Z H3Z2 109.5 . . ?
H3Z1 C3Z H3Z2 109.5 . . ?
N1Z C3Z H3Z3 109.5 . . ?
H3Z1 C3Z H3Z3 109.5 . . ?
H3Z2 C3Z H3Z3 109.5 . . ?
N1S C1S O1S 131.1 . . ?
N1S C1S H1S 114.4 . . ?
O1S C1S H1S 114.4 . . ?
N1S C2S H2S1 109.5 . . ?
N1S C2S H2S2 109.5 . . ?
H2S1 C2S H2S2 109.5 . . ?
N1S C2S H2S3 109.5 . . ?
H2S1 C2S H2S3 109.5 . . ?
H2S2 C2S H2S3 109.5 . . ?
N1S C3S H3S1 109.5 . . ?
N1S C3S H3S2 109.5 . . ?
H3S1 C3S H3S2 109.5 . . ?
N1S C3S H3S3 109.5 . . ?
H3S1 C3S H3S3 109.5 . . ?
H3S2 C3S H3S3 109.5 . . ?
C1S N1S C2S 119.6 . . ?
C1S N1S C3S 123.4 . . ?
C2S N1S C3S 117.0 . . ?
O2S C4S N2S 124.1 . . ?
O2S C4S H4S 117.9 . . ?
N2S C4S H4S 117.9 . . ?
N2S C5S H5S1 109.5 . . ?
N2S C5S H5S2 109.5 . . ?
H5S1 C5S H5S2 109.5 . . ?
N2S C5S H5S3 109.5 . . ?
H5S1 C5S H5S3 109.5 . . ?
H5S2 C5S H5S3 109.5 . . ?
N2S C6S H6S1 109.5 . . ?
N2S C6S H6S2 109.5 . . ?
H6S1 C6S H6S2 109.5 . . ?
N2S C6S H6S3 109.5 . . ?
H6S1 C6S H6S3 109.5 . . ?
H6S2 C6S H6S3 109.5 . . ?
C4S N2S C5S 121.1 . . ?
C4S N2S C6S 121.9 . . ?
C5S N2S C6S 117.1 . . ?
O1T C1T N1T 124.1 . . ?
O1T C1T H1T 117.9 . . ?
N1T C1T H1T 117.9 . . ?
N1T C2T H2T1 109.5 . . ?
N1T C2T H2T2 109.5 . . ?
H2T1 C2T H2T2 109.5 . . ?
N1T C2T H2T3 109.5 . . ?
H2T1 C2T H2T3 109.5 . . ?
H2T2 C2T H2T3 109.5 . . ?
N1T C3T H3T1 109.5 . . ?
N1T C3T H3T2 109.5 . . ?
H3T1 C3T H3T2 109.5 . . ?
N1T C3T H3T3 109.5 . . ?
H3T1 C3T H3T3 109.5 . . ?
H3T2 C3T H3T3 109.5 . . ?
C1T N1T C2T 121.1 . . ?
C1T N1T C3T 121.8 . . ?
C2T N1T C3T 117.0 . . ?
O1U C1U N1U 124.1 . . ?
O1U C1U H1U 118.0 . . ?
N1U C1U H1U 118.0 . . ?
N1U C2U H2U1 109.5 . . ?
N1U C2U H2U2 109.5 . . ?
H2U1 C2U H2U2 109.5 . . ?
N1U C2U H2U3 109.5 . . ?
H2U1 C2U H2U3 109.5 . . ?
H2U2 C2U H2U3 109.5 . . ?
N1U C3U H3U1 109.5 . . ?
N1U C3U H3U2 109.5 . . ?
H3U1 C3U H3U2 109.5 . . ?
N1U C3U H3U3 109.5 . . ?
H3U1 C3U H3U3 109.5 . . ?
H3U2 C3U H3U3 109.5 . . ?
C1U N1U C2U 121.1 . . ?
C1U N1U C3U 121.8 . . ?
C2U N1U C3U 117.0 . . ?
O65W O16W O43W 167(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C7A N8A N9A C10A -177.7(18) . . . . ?
Cu1 N8A N9A C10A -1(2) . . . . ?
C23A N24A N25A C26A 4(3) . . . . ?
C23A N24A N25A Cu2 -178(2) . . . . ?
N8B Cu2 N25A C26A 144.1(16) . . . . ?
N1B Cu2 N25A C26A -100.5(17) . . . . ?
N32A Cu2 N25A C26A 4.2(15) . . . . ?
N8B Cu2 N25A N24A -34(3) . . . . ?
N1B Cu2 N25A N24A 82(2) . . . . ?
N32A Cu2 N25A N24A -174(2) . . . . ?
C6A N1A C2A C3A 2.6 . . . . ?
Cu1 N1A C2A C3A -177.5(10) . . . . ?
N1A C2A C3A C4A -2.7 . . . . ?
C2A C3A C4A C5A 1.5 . . . . ?
C3A C4A C5A C6A -0.5 . . . . ?
C2A N1A C6A C5A -1.6 . . . . ?
Cu1 N1A C6A C5A 178.5(8) . . . . ?
C2A N1A C6A C7A -178.6 . . . . ?
Cu1 N1A C6A C7A 1.5(8) . . . . ?
C4A C5A C6A N1A 0.5 . . . . ?
C4A C5A C6A C7A 177.5 . . . . ?
N9A N8A C7A C6A 177.8(14) . . . . ?
Cu1 N8A C7A C6A 0.7(19) . . . . ?
N1A C6A C7A N8A -1.5(15) . . . . ?
C5A C6A C7A N8A -178.7(15) . . . . ?
Cu1 O11A C10A N9A -8(2) . . . . ?
Cu1 O11A C10A C12A 178.8(6) . . . . ?
N8A N9A C10A O11A 7(3) . . . . ?
N8A N9A C10A C12A 179.1(13) . . . . ?
O11A C10A C12A C13A -179.5(14) . . . . ?
N9A C10A C12A C13A 7.8(15) . . . . ?
O11A C10A C12A C17A -0.1(14) . . . . ?
N9A C10A C12A C17A -172.8(15) . . . . ?
C17A C12A C13A C14A 0.0 . . . . ?
C10A C12A C13A C14A 179.3(4) . . . . ?
C12A C13A C14A C15A 0.0 . . . . ?
C12A C13A C14A S18A 174.9(8) . . . . ?
O19A S18A C14A C15A -147.3(7) . . . . ?
O20A S18A C14A C15A 92.1(8) . . . . ?
O21A S18A C14A C15A -26.7(8) . . . . ?
O19A S18A C14A C13A 37.7(8) . . . . ?
O20A S18A C14A C13A -82.8(8) . . . . ?
O21A S18A C14A C13A 158.3(8) . . . . ?
C13A C14A C15A C16A 0.0 . . . . ?
S18A C14A C15A C16A -175.0(8) . . . . ?
C14A C15A C16A C17A 0.0 . . . . ?
C14A C15A C16A C23A 176.7(12) . . . . ?
C15A C16A C17A C12A 0.0 . . . . ?
C23A C16A C17A C12A -176.3(13) . . . . ?
C13A C12A C17A C16A 0.0 . . . . ?
C10A C12A C17A C16A -179.4(4) . . . . ?
N25A N24A C23A O22A 1(4) . . . . ?
N25A N24A C23A C16A 178.2(18) . . . . ?
C17A C16A C23A O22A 158(2) . . . . ?
C15A C16A C23A O22A -19(3) . . . . ?
C17A C16A C23A N24A -20(2) . . . . ?
C15A C16A C23A N24A 163.9(17) . . . . ?
N24A N25A C26A C27A 178.1(13) . . . . ?
Cu2 N25A C26A C27A -0.2(19) . . . . ?
N25A C26A C27A N32A -6.7(14) . . . . ?
N25A C26A C27A C28A 176.1(14) . . . . ?
N32A C27A C28A C29A 0.5 . . . . ?
C26A C27A C28A C29A 177.5 . . . . ?
C27A C28A C29A C30A -0.5 . . . . ?
C28A C29A C30A C31A 1.5 . . . . ?
C29A C30A C31A N32A -2.7 . . . . ?
C30A C31A N32A C27A 2.6 . . . . ?
C30A C31A N32A Cu2 172.1(10) . . . . ?
C28A C27A N32A C31A -1.6 . . . . ?
C26A C27A N32A C31A -178.6 . . . . ?
C28A C27A N32A Cu2 -173.3(8) . . . . ?
C26A C27A N32A Cu2 9.7(8) . . . . ?
C7B N8B N9B C10B 28(4) . . . . ?
Cu2 N8B N9B C10B -154(2) . . . . ?
C23B N24B N25B C26B 179(2) . . . . ?
C23B N24B N25B Cu3 -3(3) . . . . ?
C6B N1B C2B C3B 2.7 . . . . ?
Cu2 N1B C2B C3B 173.6(11) . . . . ?
N1B C2B C3B C4B -2.7 . . . . ?
C2B C3B C4B C5B 1.5 . . . . ?
C3B C4B C5B C6B -0.5 . . . . ?
C2B N1B C6B C5B -1.6 . . . . ?
Cu2 N1B C6B C5B -174.5(9) . . . . ?
C2B N1B C6B C7B -178.6 . . . . ?
Cu2 N1B C6B C7B 8.4(9) . . . . ?
C4B C5B C6B N1B 0.5 . . . . ?
C4B C5B C6B C7B 177.5 . . . . ?
N9B N8B C7B C6B 177.3(15) . . . . ?
Cu2 N8B C7B C6B -1(2) . . . . ?
N1B C6B C7B N8B -5.5(17) . . . . ?
C5B C6B C7B N8B 177.3(17) . . . . ?
N8B N9B C10B O11B -3(4) . . . . ?
N8B N9B C10B C12B 175.7(18) . . . . ?
O11B C10B C12B C13B -25(2) . . . . ?
N9B C10B C12B C13B 155.9(18) . . . . ?
O11B C10B C12B C17B 154(2) . . . . ?
N9B C10B C12B C17B -24.5(19) . . . . ?
C17B C12B C13B C14B 0.0 . . . . ?
C10B C12B C13B C14B 179.6(4) . . . . ?
C12B C13B C14B C15B 0.0 . . . . ?
C12B C13B C14B S18B 179.5(8) . . . . ?
O19B S18B C14B C13B -153.5(11) . . . . ?
O20B S18B C14B C13B 86.2(11) . . . . ?
O21B S18B C14B C13B -33.3(12) . . . . ?
O19B S18B C14B C15B 26.0(12) . . . . ?
O20B S18B C14B C15B -94.3(11) . . . . ?
O21B S18B C14B C15B 146.2(11) . . . . ?
C13B C14B C15B C16B 0.0 . . . . ?
S18B C14B C15B C16B -179.5(8) . . . . ?
C14B C15B C16B C17B 0.0 . . . . ?
C14B C15B C16B C23B 177.7(12) . . . . ?
C15B C16B C17B C12B 0.0 . . . . ?
C23B C16B C17B C12B -178.0(11) . . . . ?
C13B C12B C17B C16B 0.0 . . . . ?
C10B C12B C17B C16B -179.6(4) . . . . ?
Cu3 O22B C23B N24B -2(3) . . . . ?
Cu3 O22B C23B C16B 178.3(13) . . . . ?
N25B N24B C23B O22B 4(3) . . . . ?
N25B N24B C23B C16B -176.9(17) . . . . ?
C17B C16B C23B O22B 11(3) . . . . ?
C15B C16B C23B O22B -167.0(18) . . . . ?
C17B C16B C23B N24B -168.6(14) . . . . ?
C15B C16B C23B N24B 14(2) . . . . ?
N24B N25B C26B C27B 179.3(17) . . . . ?
Cu3 N25B C26B C27B 2(2) . . . . ?
N25B C26B C27B N32B -3.5(16) . . . . ?
N25B C26B C27B C28B 179.3(16) . . . . ?
N32B C27B C28B C29B 0.5 . . . . ?
C26B C27B C28B C29B 177.5 . . . . ?
C27B C28B C29B C30B -0.5 . . . . ?
C28B C29B C30B C31B 1.5 . . . . ?
C29B C30B C31B N32B -2.7 . . . . ?
C30B C31B N32B C27B 2.6 . . . . ?
C30B C31B N32B Cu3 180.0(10) . . . . ?
C28B C27B N32B C31B -1.6 . . . . ?
C26B C27B N32B C31B -178.6 . . . . ?
C28B C27B N32B Cu3 -179.5(8) . . . . ?
C26B C27B N32B Cu3 3.4(8) . . . . ?
C7C N8C N9C C10C -179(2) . . . . ?
Cu3 N8C N9C C10C -6(3) . . . . ?
C23C N24C N25C C26C 177(2) . . . . ?
C23C N24C N25C Cu4 1(3) . . . . ?
C6C N1C C2C C3C 2.6 . . . . ?
Cu3 N1C C2C C3C 179.3(13) . . . . ?
N1C C2C C3C C4C -2.7 . . . . ?
C2C C3C C4C C5C 1.5 . . . . ?
C3C C4C C5C C6C -0.5 . . . . ?
C2C N1C C6C C5C -1.6 . . . . ?
Cu3 N1C C6C C5C -178.9(10) . . . . ?
C2C N1C C6C C7C -178.6 . . . . ?
Cu3 N1C C6C C7C 4.1(10) . . . . ?
C4C C5C C6C N1C 0.5 . . . . ?
C4C C5C C6C C7C 177.5 . . . . ?
N9C N8C C7C C6C -178.1(17) . . . . ?
Cu3 N8C C7C C6C 10(2) . . . . ?
N1C C6C C7C N8C -8.8(17) . . . . ?
C5C C6C C7C N8C 174.1(17) . . . . ?
Cu3 O11C C10C N9C 3(3) . . . . ?
Cu3 O11C C10C C12C -177.6(8) . . . . ?
N8C N9C C10C O11C 2(3) . . . . ?
N8C N9C C10C C12C -177.3(14) . . . . ?
O11C C10C C12C C13C 164.0(15) . . . . ?
N9C C10C C12C C13C -16.8(17) . . . . ?
O11C C10C C12C C17C -15.9(16) . . . . ?
N9C C10C C12C C17C 163.2(17) . . . . ?
C17C C12C C13C C14C 0.0 . . . . ?
C10C C12C C13C C14C -180.0(4) . . . . ?
C12C C13C C14C C15C 0.0 . . . . ?
C12C C13C C14C S18C 179.6(8) . . . . ?
O19C S18C C14C C15C -154.7(9) . . . . ?
O20C S18C C14C C15C 84.6(9) . . . . ?
O21C S18C C14C C15C -34.4(9) . . . . ?
O19C S18C C14C C13C 25.6(10) . . . . ?
O20C S18C C14C C13C -95.1(10) . . . . ?
O21C S18C C14C C13C 146.0(9) . . . . ?
C13C C14C C15C C16C 0.0 . . . . ?
S18C C14C C15C C16C -179.6(8) . . . . ?
C14C C15C C16C C17C 0.0 . . . . ?
C14C C15C C16C C23C -179.4(13) . . . . ?
C15C C16C C17C C12C 0.0 . . . . ?
C23C C16C C17C C12C 179.4(12) . . . . ?
C13C C12C C17C C16C 0.0 . . . . ?
C10C C12C C17C C16C 180.0(4) . . . . ?
Cu4 O22C C23C N24C -6(3) . . . . ?
Cu4 O22C C23C C16C 177.6(13) . . . . ?
N25C N24C C23C O22C 3(3) . . . . ?
N25C N24C C23C C16C -179.7(17) . . . . ?
C17C C16C C23C O22C -2(2) . . . . ?
C15C C16C C23C O22C 177.5(17) . . . . ?
C17C C16C C23C N24C -178.7(15) . . . . ?
C15C C16C C23C N24C 1(2) . . . . ?
N24C N25C C26C C27C 179.0(17) . . . . ?
Cu4 N25C C26C C27C -4(2) . . . . ?
N25C C26C C27C N32C 2.8(17) . . . . ?
N25C C26C C27C C28C -174.3(17) . . . . ?
N32C C27C C28C C29C 0.5 . . . . ?
C26C C27C C28C C29C 177.5 . . . . ?
C27C C28C C29C C30C -0.5 . . . . ?
C28C C29C C30C C31C 1.5 . . . . ?
C29C C30C C31C N32C -2.7 . . . . ?
C30C C31C N32C C27C 2.6 . . . . ?
C30C C31C N32C Cu4 -175.5(12) . . . . ?
C28C C27C N32C C31C -1.6 . . . . ?
C26C C27C N32C C31C -178.6 . . . . ?
C28C C27C N32C Cu4 176.9(9) . . . . ?
C26C C27C N32C Cu4 -0.1(9) . . . . ?
C7D N8D N9D C10D -170.5(19) . . . . ?
Cu4 N8D N9D C10D 0(3) . . . . ?
C23D N24D N25D C26D -178(2) . . . . ?
C23D N24D N25D Cu1 -6(3) . . . . ?
C6D N1D C2D C3D 2.6 . . . . ?
Cu4 N1D C2D C3D -161.9(11) . . . . ?
N1D C2D C3D C4D -2.7 . . . . ?
C2D C3D C4D C5D 1.5 . . . . ?
C3D C4D C5D C6D -0.5 . . . . ?
C2D N1D C6D C5D -1.6 . . . . ?
Cu4 N1D C6D C5D 166.7(8) . . . . ?
C2D N1D C6D C7D -178.6 . . . . ?
Cu4 N1D C6D C7D -10.4(8) . . . . ?
C4D C5D C6D N1D 0.5 . . . . ?
C4D C5D C6D C7D 177.5 . . . . ?
N9D N8D C7D C6D -177.2(16) . . . . ?
Cu4 N8D C7D C6D 11.8(19) . . . . ?
N1D C6D C7D N8D 0.3(16) . . . . ?
C5D C6D C7D N8D -176.9(16) . . . . ?
Cu4 O11D C10D N9D -4(2) . . . . ?
Cu4 O11D C10D C12D 178.8(7) . . . . ?
N8D N9D C10D O11D 3(3) . . . . ?
N8D N9D C10D C12D -179.9(14) . . . . ?
O11D C10D C12D C13D -165.0(15) . . . . ?
N9D C10D C12D C13D 17.6(15) . . . . ?
O11D C10D C12D C17D 15.2(16) . . . . ?
N9D C10D C12D C17D -162.1(15) . . . . ?
C17D C12D C13D C14D 0.0 . . . . ?
C10D C12D C13D C14D -179.7(4) . . . . ?
C12D C13D C14D C15D 0.0 . . . . ?
C12D C13D C14D S18D -177.2(8) . . . . ?
O19D S18D C14D C15D 34.6(9) . . . . ?
O20D S18D C14D C15D -85.6(9) . . . . ?
O21D S18D C14D C15D 154.9(8) . . . . ?
O19D S18D C14D C13D -148.2(8) . . . . ?
O20D S18D C14D C13D 91.6(9) . . . . ?
O21D S18D C14D C13D -27.9(9) . . . . ?
C13D C14D C15D C16D 0.0 . . . . ?
S18D C14D C15D C16D 177.2(8) . . . . ?
C14D C15D C16D C17D 0.0 . . . . ?
C14D C15D C16D C23D 179.6(13) . . . . ?
C15D C16D C17D C12D 0.0 . . . . ?
C23D C16D C17D C12D -179.6(12) . . . . ?
C13D C12D C17D C16D 0.0 . . . . ?
C10D C12D C17D C16D 179.7(4) . . . . ?
Cu1 O22D C23D N24D 4(3) . . . . ?
Cu1 O22D C23D C16D 179.7(12) . . . . ?
N25D N24D C23D O22D 1(4) . . . . ?
N25D N24D C23D C16D -174.9(16) . . . . ?
C15D C16D C23D O22D 171.6(17) . . . . ?
C17D C16D C23D O22D -9(2) . . . . ?
C15D C16D C23D N24D -12(2) . . . . ?
C17D C16D C23D N24D 167.6(17) . . . . ?
N24D N25D C26D C27D -179.1(18) . . . . ?
Cu1 N25D C26D C27D 9(2) . . . . ?
N25D C26D C27D N32D -9.0(16) . . . . ?
N25D C26D C27D C28D 173.8(16) . . . . ?
N32D C27D C28D C29D 0.5 . . . . ?
C26D C27D C28D C29D 177.5 . . . . ?
C27D C28D C29D C30D -0.5 . . . . ?
C28D C29D C30D C31D 1.5 . . . . ?
C29D C30D C31D N32D -2.7 . . . . ?
C30D C31D N32D C27D 2.6 . . . . ?
C30D C31D N32D Cu1 178.1(11) . . . . ?
C28D C27D N32D C31D -1.6 . . . . ?
C26D C27D N32D C31D -178.6 . . . . ?
C28D C27D N32D Cu1 -177.9(9) . . . . ?
C26D C27D N32D Cu1 5.0(9) . . . . ?
C7E N8E N9E C10E 170(2) . . . . ?
Zn5 N8E N9E C10E -13(3) . . . . ?
C23E N24E N25E C26E -180(2) . . . . ?
C23E N24E N25E Zn6 4(3) . . . . ?
C6E N1E C2E C3E 2.6 . . . . ?
Zn5 N1E C2E C3E 172.9(11) . . . . ?
N1E C2E C3E C4E -2.7 . . . . ?
C2E C3E C4E C5E 1.5 . . . . ?
C3E C4E C5E C6E -0.5 . . . . ?
C2E N1E C6E C5E -1.6 . . . . ?
Zn5 N1E C6E C5E -173.9(9) . . . . ?
C2E N1E C6E C7E -178.6 . . . . ?
Zn5 N1E C6E C7E 9.1(8) . . . . ?
C4E C5E C6E N1E 0.5 . . . . ?
C4E C5E C6E C7E 177.5 . . . . ?
N9E N8E C7E C6E -174.8(18) . . . . ?
Zn5 N8E C7E C6E 8(2) . . . . ?
N1E C6E C7E N8E -11.6(17) . . . . ?
C5E C6E C7E N8E 171.2(17) . . . . ?
Zn5 O11E C10E N9E 4(3) . . . . ?
Zn5 O11E C10E C12E -170.2(8) . . . . ?
N8E N9E C10E O11E 4(3) . . . . ?
N8E N9E C10E C12E 179.5(15) . . . . ?
O11E C10E C12E C13E 171.1(17) . . . . ?
N9E C10E C12E C13E -4.0(16) . . . . ?
O11E C10E C12E C17E -9.3(18) . . . . ?
N9E C10E C12E C17E 175.6(15) . . . . ?
C17E C12E C13E C14E 0.0 . . . . ?
C10E C12E C13E C14E 179.5(4) . . . . ?
C12E C13E C14E C15E 0.0 . . . . ?
C12E C13E C14E S18E -179.4(8) . . . . ?
O19E S18E C14E C15E 16.0(11) . . . . ?
O20E S18E C14E C15E -105.2(11) . . . . ?
O21E S18E C14E C15E 136.3(11) . . . . ?
O19E S18E C14E C13E -164.6(10) . . . . ?
O20E S18E C14E C13E 74.2(10) . . . . ?
O21E S18E C14E C13E -44.3(11) . . . . ?
C13E C14E C15E C16E 0.0 . . . . ?
S18E C14E C15E C16E 179.4(8) . . . . ?
C14E C15E C16E C17E 0.0 . . . . ?
C14E C15E C16E C23E 176.2(14) . . . . ?
C15E C16E C17E C12E 0.0 . . . . ?
C23E C16E C17E C12E -176.5(13) . . . . ?
C13E C12E C17E C16E 0.0 . . . . ?
C10E C12E C17E C16E -179.6(4) . . . . ?
Zn6 O22E C23E N24E 5(3) . . . . ?
Zn6 O22E C23E C16E -179.8(12) . . . . ?
N25E N24E C23E O22E -6(4) . . . . ?
N25E N24E C23E C16E 178.9(19) . . . . ?
C17E C16E C23E O22E 6(2) . . . . ?
C15E C16E C23E O22E -170.4(16) . . . . ?
C17E C16E C23E N24E -178.5(17) . . . . ?
C15E C16E C23E N24E 5(2) . . . . ?
N24E N25E C26E C27E -173.8(19) . . . . ?
Zn6 N25E C26E C27E 3(2) . . . . ?
N25E C26E C27E N32E -4.8(19) . . . . ?
N25E C26E C27E C28E 178.1(19) . . . . ?
N32E C27E C28E C29E 0.5 . . . . ?
C26E C27E C28E C29E 177.5 . . . . ?
C27E C28E C29E C30E -0.5 . . . . ?
C28E C29E C30E C31E 1.5 . . . . ?
C29E C30E C31E N32E -2.7 . . . . ?
C30E C31E N32E C27E 2.6 . . . . ?
C30E C31E N32E Zn6 179.2(13) . . . . ?
C28E C27E N32E C31E -1.6 . . . . ?
C26E C27E N32E C31E -178.6 . . . . ?
C28E C27E N32E Zn6 -178.8(10) . . . . ?
C26E C27E N32E Zn6 4.1(10) . . . . ?
C7F N8F N9F C10F -179(2) . . . . ?
Zn6 N8F N9F C10F 3(3) . . . . ?
C23F N24F N25F C26F 174(2) . . . . ?
C23F N24F N25F Cu7 -8(3) . . . . ?
C6F N1F C2F C3F 2.6 . . . . ?
Zn6 N1F C2F C3F 179.2(12) . . . . ?
N1F C2F C3F C4F -2.7 . . . . ?
C2F C3F C4F C5F 1.5 . . . . ?
C3F C4F C5F C6F -0.4 . . . . ?
C2F N1F C6F C5F -1.6 . . . . ?
Zn6 N1F C6F C5F -178.7(9) . . . . ?
C2F N1F C6F C7F -178.6 . . . . ?
Zn6 N1F C6F C7F 4.2(9) . . . . ?
C4F C5F C6F N1F 0.5 . . . . ?
C4F C5F C6F C7F 177.5 . . . . ?
N9F N8F C7F C6F -179.5(19) . . . . ?
Zn6 N8F C7F C6F -2(2) . . . . ?
N1F C6F C7F N8F -1.9(18) . . . . ?
C5F C6F C7F N8F -179.1(18) . . . . ?
Zn6 O11F C10F N9F -1(3) . . . . ?
Zn6 O11F C10F C12F 179.3(8) . . . . ?
N8F N9F C10F O11F -1(4) . . . . ?
N8F N9F C10F C12F 178.2(15) . . . . ?
O11F C10F C12F C13F -165.9(16) . . . . ?
N9F C10F C12F C13F 14.8(18) . . . . ?
O11F C10F C12F C17F 14.1(17) . . . . ?
N9F C10F C12F C17F -165.2(18) . . . . ?
C17F C12F C13F C14F 0.0 . . . . ?
C10F C12F C13F C14F 180.0(4) . . . . ?
C12F C13F C14F C15F 0.0 . . . . ?
C12F C13F C14F S18F 180.0(8) . . . . ?
O19F S18F C14F C15F 41.8(8) . . . . ?
O20F S18F C14F C15F -78.3(8) . . . . ?
O21F S18F C14F C15F 162.2(8) . . . . ?
O19F S18F C14F C13F -138.2(8) . . . . ?
O20F S18F C14F C13F 101.7(8) . . . . ?
O21F S18F C14F C13F -17.7(9) . . . . ?
C13F C14F C15F C16F 0.0 . . . . ?
S18F C14F C15F C16F -180.0(8) . . . . ?
C14F C15F C16F C17F 0.0 . . . . ?
C14F C15F C16F C23F -179.9(12) . . . . ?
C15F C16F C17F C12F 0.0 . . . . ?
C23F C16F C17F C12F 179.9(11) . . . . ?
C13F C12F C17F C16F 0.0 . . . . ?
C10F C12F C17F C16F -180.0(4) . . . . ?
Cu7 O22F C23F N24F 0(3) . . . . ?
Cu7 O22F C23F C16F -173.2(13) . . . . ?
N25F N24F C23F O22F 5(4) . . . . ?
N25F N24F C23F C16F 178.8(17) . . . . ?
C15F C16F C23F O22F 168.1(18) . . . . ?
C17F C16F C23F O22F -12(3) . . . . ?
C15F C16F C23F N24F -6(2) . . . . ?
C17F C16F C23F N24F 174.4(15) . . . . ?
N24F N25F C26F C27F -173.5(16) . . . . ?
Cu7 N25F C26F C27F 10(2) . . . . ?
N25F C26F C27F N32F -11.2(16) . . . . ?
N25F C26F C27F C28F 171.6(16) . . . . ?
N32F C27F C28F C29F 0.5 . . . . ?
C26F C27F C28F C29F 177.5 . . . . ?
C27F C28F C29F C30F -0.5 . . . . ?
C28F C29F C30F C31F 1.5 . . . . ?
C29F C30F C31F N32F -2.7 . . . . ?
C30F C31F N32F C27F 2.6 . . . . ?
C30F C31F N32F Cu7 174.5(11) . . . . ?
C28F C27F N32F C31F -1.6 . . . . ?
C26F C27F N32F C31F -178.6 . . . . ?
C28F C27F N32F Cu7 -175.1(9) . . . . ?
C26F C27F N32F Cu7 7.9(9) . . . . ?
C7G N8G N9G C10G -179(2) . . . . ?
Cu7 N8G N9G C10G -1(3) . . . . ?
C23G N24G N25G C26G -177(2) . . . . ?
C23G N24G N25G Zn8 1(3) . . . . ?
C6G N1G C2G C3G 2.6 . . . . ?
Cu7 N1G C2G C3G 179.8(13) . . . . ?
N1G C2G C3G C4G -2.7 . . . . ?
C2G C3G C4G C5G 1.5 . . . . ?
C3G C4G C5G C6G -0.5 . . . . ?
C2G N1G C6G C5G -1.6 . . . . ?
Cu7 N1G C6G C5G -179.3(11) . . . . ?
C2G N1G C6G C7G -178.6 . . . . ?
Cu7 N1G C6G C7G 3.7(11) . . . . ?
C4G C5G C6G N1G 0.5 . . . . ?
C4G C5G C6G C7G 177.5 . . . . ?
N9G N8G C7G C6G -177.0(19) . . . . ?
Cu7 N8G C7G C6G 5(2) . . . . ?
N1G C6G C7G N8G -5.7(17) . . . . ?
C5G C6G C7G N8G 177.2(17) . . . . ?
Cu7 O11G C10G N9G 12(3) . . . . ?
Cu7 O11G C10G C12G -177.0(7) . . . . ?
N8G N9G C10G O11G -8(3) . . . . ?
N8G N9G C10G C12G -178.1(15) . . . . ?
O11G C10G C12G C13G -165.2(15) . . . . ?
N9G C10G C12G C13G 6.2(18) . . . . ?
O11G C10G C12G C17G 15.0(15) . . . . ?
N9G C10G C12G C17G -173.6(18) . . . . ?
C17G C12G C13G C14G 0.0 . . . . ?
C10G C12G C13G C14G -179.8(4) . . . . ?
C12G C13G C14G C15G 0.0 . . . . ?
C12G C13G C14G S18G -177.5(8) . . . . ?
O19G S18G C14G C15G 58.9(10) . . . . ?
O20G S18G C14G C15G -61.2(10) . . . . ?
O21G S18G C14G C15G 179.2(9) . . . . ?
O19G S18G C14G C13G -123.6(10) . . . . ?
O20G S18G C14G C13G 116.3(10) . . . . ?
O21G S18G C14G C13G -3.2(10) . . . . ?
C13G C14G C15G C16G 0.0 . . . . ?
S18G C14G C15G C16G 177.6(8) . . . . ?
C14G C15G C16G C17G 0.0 . . . . ?
C14G C15G C16G C23G -178.7(13) . . . . ?
C15G C16G C17G C12G 0.0 . . . . ?
C23G C16G C17G C12G 178.7(13) . . . . ?
C13G C12G C17G C16G 0.0 . . . . ?
C10G C12G C17G C16G 179.8(4) . . . . ?
Zn8 O22G C23G N24G 0(3) . . . . ?
Zn8 O22G C23G C16G -177.0(13) . . . . ?
N25G N24G C23G O22G -1(4) . . . . ?
N25G N24G C23G C16G 176.7(17) . . . . ?
C15G C16G C23G O22G 163.6(18) . . . . ?
C17G C16G C23G O22G -15(3) . . . . ?
C15G C16G C23G N24G -14(3) . . . . ?
C17G C16G C23G N24G 167.4(18) . . . . ?
N24G N25G C26G C27G 175.7(15) . . . . ?
Zn8 N25G C26G C27G -2.7(19) . . . . ?
N25G C26G C27G N32G -5.0(15) . . . . ?
N25G C26G C27G C28G 177.8(15) . . . . ?
N32G C27G C28G C29G 0.5 . . . . ?
C26G C27G C28G C29G 177.5 . . . . ?
C27G C28G C29G C30G -0.5 . . . . ?
C28G C29G C30G C31G 1.5 . . . . ?
C29G C30G C31G N32G -2.7 . . . . ?
C30G C31G N32G C27G 2.6 . . . . ?
C30G C31G N32G Zn8 172.7(10) . . . . ?
C28G C27G N32G C31G -1.6 . . . . ?
C26G C27G N32G C31G -178.6 . . . . ?
C28G C27G N32G Zn8 -173.3(8) . . . . ?
C26G C27G N32G Zn8 9.7(8) . . . . ?
C7H N8H N9H C10H 178.4(18) . . . . ?
Zn8 N8H N9H C10H -7(3) . . . . ?
C23H N24H N25H C26H 178.0(19) . . . . ?
C23H N24H N25H Zn5 2(2) . . . . ?
C6H N1H C2H C3H 2.6 . . . . ?
Zn8 N1H C2H C3H 178.5(9) . . . . ?
N1H C2H C3H C4H -2.7 . . . . ?
C2H C3H C4H C5H 1.5 . . . . ?
C3H C4H C5H C6H -0.4 . . . . ?
C2H N1H C6H C5H -1.6 . . . . ?
Zn8 N1H C6H C5H -178.1(8) . . . . ?
C2H N1H C6H C7H -178.6 . . . . ?
Zn8 N1H C6H C7H 4.9(8) . . . . ?
C4H C5H C6H N1H 0.5 . . . . ?
C4H C5H C6H C7H 177.5 . . . . ?
N9H N8H C7H C6H 176.9(15) . . . . ?
Zn8 N8H C7H C6H 1.9(18) . . . . ?
N1H C6H C7H N8H -4.5(14) . . . . ?
C5H C6H C7H N8H 178.3(14) . . . . ?
N8H N9H C10H O11H 12(3) . . . . ?
N8H N9H C10H C12H 178.6(12) . . . . ?
Zn8 O11H C10H N9H -11(3) . . . . ?
Zn8 O11H C10H C12H -177.4(7) . . . . ?
N9H C10H C12H C13H 0.8(17) . . . . ?
O11H C10H C12H C13H 169.2(15) . . . . ?
N9H C10H C12H C17H -179.1(17) . . . . ?
O11H C10H C12H C17H -10.7(15) . . . . ?
C17H C12H C13H C14H 0.0 . . . . ?
C10H C12H C13H C14H -179.9(4) . . . . ?
C12H C13H C14H C15H 0.0 . . . . ?
C12H C13H C14H S18H 179.3(8) . . . . ?
O19H S18H C14H C15H 51.0(9) . . . . ?
O20H S18H C14H C15H -70.0(9) . . . . ?
O21H S18H C14H C15H 170.8(9) . . . . ?
O19H S18H C14H C13H -128.3(9) . . . . ?
O20H S18H C14H C13H 110.6(9) . . . . ?
O21H S18H C14H C13H -8.5(10) . . . . ?
C13H C14H C15H C16H 0.0 . . . . ?
S18H C14H C15H C16H -179.4(8) . . . . ?
C14H C15H C16H C17H 0.0 . . . . ?
C14H C15H C16H C23H 180.0(13) . . . . ?
C15H C16H C17H C12H 0.0 . . . . ?
C23H C16H C17H C12H 180.0(11) . . . . ?
C13H C12H C17H C16H 0.0 . . . . ?
C10H C12H C17H C16H 179.9(3) . . . . ?
Zn5 O22H C23H N24H -1(3) . . . . ?
Zn5 O22H C23H C16H 179.1(12) . . . . ?
N25H N24H C23H O22H -1(3) . . . . ?
N25H N24H C23H C16H 179.2(16) . . . . ?
C15H C16H C23H O22H -175.1(19) . . . . ?
C17H C16H C23H O22H 5(3) . . . . ?
C15H C16H C23H N24H 5(2) . . . . ?
C17H C16H C23H N24H -174.9(15) . . . . ?
N24H N25H C26H C27H -175.9(16) . . . . ?
Zn5 N25H C26H C27H 0(2) . . . . ?
N25H C26H C27H N32H -0.5(15) . . . . ?
N25H C26H C27H C28H -177.7(15) . . . . ?
N32H C27H C28H C29H 0.5 . . . . ?
C26H C27H C28H C29H 177.5 . . . . ?
C27H C28H C29H C30H -0.5 . . . . ?
C28H C29H C30H C31H 1.5 . . . . ?
C29H C30H C31H N32H -2.7 . . . . ?
C30H C31H N32H C27H 2.6 . . . . ?
C30H C31H N32H Zn5 -176.9(11) . . . . ?
C28H C27H N32H C31H -1.6 . . . . ?
C26H C27H N32H C31H -178.6 . . . . ?
C28H C27H N32H Zn5 178.0(8) . . . . ?
C26H C27H N32H Zn5 1.0(8) . . . . ?
C7I N8I N9I C10I -173(2) . . . . ?
Cu9 N8I N9I C10I 3(3) . . . . ?
C23I N24I N25I C26I 4(6) . . . . ?
C23I N24I N25I Cu10 -167(3) . . . . ?
C6I N1I C2I C3I 2.6 . . . . ?
Cu9 N1I C2I C3I -175.9(12) . . . . ?
N1I C2I C3I C4I -2.7 . . . . ?
C2I C3I C4I C5I 1.5 . . . . ?
C3I C4I C5I C6I -0.5 . . . . ?
C2I N1I C6I C5I -1.6 . . . . ?
Cu9 N1I C6I C5I 177.3(10) . . . . ?
C2I N1I C6I C7I -178.6 . . . . ?
Cu9 N1I C6I C7I 0.2(10) . . . . ?
C4I C5I C6I N1I 0.5 . . . . ?
C4I C5I C6I C7I 177.5 . . . . ?
N9I N8I C7I C6I -175(2) . . . . ?
Cu9 N8I C7I C6I 9(3) . . . . ?
N1I C6I C7I N8I -5.3(19) . . . . ?
C5I C6I C7I N8I 177.6(19) . . . . ?
Cu9 O11I C10I N9I -2(3) . . . . ?
Cu9 O11I C10I C12I 173.0(9) . . . . ?
N8I N9I C10I O11I 0(4) . . . . ?
N8I N9I C10I C12I -175.1(18) . . . . ?
O11I C10I C12I C13I -165.4(19) . . . . ?
N9I C10I C12I C13I 10(2) . . . . ?
O11I C10I C12I C17I 14.3(19) . . . . ?
N9I C10I C12I C17I -170(2) . . . . ?
C17I C12I C13I C14I 0.0 . . . . ?
C10I C12I C13I C14I 179.7(4) . . . . ?
C12I C13I C14I C15I 0.0 . . . . ?
C12I C13I C14I S18I 179.1(9) . . . . ?
O19I S18I C14I C13I -161.7(12) . . . . ?
O20I S18I C14I C13I 77.2(12) . . . . ?
O21I S18I C14I C13I -41.9(12) . . . . ?
O19I S18I C14I C15I 17.4(12) . . . . ?
O20I S18I C14I C15I -103.7(12) . . . . ?
O21I S18I C14I C15I 137.2(12) . . . . ?
C13I C14I C15I C16I 0.0 . . . . ?
S18I C14I C15I C16I -179.1(9) . . . . ?
C14I C15I C16I C17I 0.0 . . . . ?
C14I C15I C16I C23I 178.6(14) . . . . ?
C15I C16I C17I C12I 0.0 . . . . ?
C23I C16I C17I C12I -178.6(14) . . . . ?
C13I C12I C17I C16I 0.0 . . . . ?
C10I C12I C17I C16I -179.7(4) . . . . ?
N25I N24I C23I O22I 10(5) . . . . ?
N25I N24I C23I C16I -178(2) . . . . ?
C17I C16I C23I O22I 153(2) . . . . ?
C15I C16I C23I O22I -26(3) . . . . ?
C17I C16I C23I N24I -20(3) . . . . ?
C15I C16I C23I N24I 162(2) . . . . ?
N24I N25I C26I C27I -177(2) . . . . ?
Cu10 N25I C26I C27I -6(3) . . . . ?
N25I C26I C27I N32I 0(2) . . . . ?
N25I C26I C27I C28I -177(2) . . . . ?
N32I C27I C28I C29I 0.5 . . . . ?
C26I C27I C28I C29I 177.5 . . . . ?
C27I C28I C29I C30I -0.5 . . . . ?
C28I C29I C30I C31I 1.5 . . . . ?
C29I C30I C31I N32I -2.7 . . . . ?
C30I C31I N32I C27I 2.6 . . . . ?
C30I C31I N32I Cu10 176.7(12) . . . . ?
C28I C27I N32I C31I -1.6 . . . . ?
C26I C27I N32I C31I -178.6 . . . . ?
C28I C27I N32I Cu10 -177.0(9) . . . . ?
C26I C27I N32I Cu10 6.0(9) . . . . ?
C7J N8J N9J C10J 22(5) . . . . ?
Cu10 N8J N9J C10J -166(3) . . . . ?
C23J N24J N25J C26J -180(3) . . . . ?
C23J N24J N25J Cu11 -2(3) . . . . ?
C6J N1J C2J C3J 2.6 . . . . ?
Cu10 N1J C2J C3J 178.6(13) . . . . ?
N1J C2J C3J C4J -2.7 . . . . ?
C2J C3J C4J C5J 1.5 . . . . ?
C3J C4J C5J C6J -0.5 . . . . ?
C2J N1J C6J C5J -1.6 . . . . ?
Cu10 N1J C6J C5J -178.5(10) . . . . ?
C2J N1J C6J C7J -178.6 . . . . ?
Cu10 N1J C6J C7J 4.5(10) . . . . ?
C4J C5J C6J N1J 0.5 . . . . ?
C4J C5J C6J C7J 177.5 . . . . ?
N9J N8J C7J C6J -179(2) . . . . ?
Cu10 N8J C7J C6J 8(2) . . . . ?
N1J C6J C7J N8J -8.4(18) . . . . ?
C5J C6J C7J N8J 174.4(18) . . . . ?
N8J N9J C10J O11J 1(5) . . . . ?
N8J N9J C10J C12J 170(3) . . . . ?
O11J C10J C12J C13J -28(2) . . . . ?
N9J C10J C12J C13J 163(2) . . . . ?
O11J C10J C12J C17J 152(2) . . . . ?
N9J C10J C12J C17J -17(2) . . . . ?
C17J C12J C13J C14J 0.0 . . . . ?
C10J C12J C13J C14J -179.9(4) . . . . ?
C12J C13J C14J C15J 0.0 . . . . ?
C12J C13J C14J S18J 179.1(9) . . . . ?
O19J S18J C14J C15J 20.5(13) . . . . ?
O20J S18J C14J C15J -101.5(12) . . . . ?
O21J S18J C14J C15J 139.7(12) . . . . ?
O19J S18J C14J C13J -158.6(12) . . . . ?
O20J S18J C14J C13J 79.4(12) . . . . ?
O21J S18J C14J C13J -39.4(12) . . . . ?
C13J C14J C15J C16J 0.0 . . . . ?
S18J C14J C15J C16J -179.1(9) . . . . ?
C14J C15J C16J C17J 0.0 . . . . ?
C14J C15J C16J C23J -178.9(13) . . . . ?
C15J C16J C17J C12J 0.0 . . . . ?
C23J C16J C17J C12J 178.8(14) . . . . ?
C13J C12J C17J C16J 0.0 . . . . ?
C10J C12J C17J C16J 179.9(4) . . . . ?
N25J N24J C23J O22J 1(5) . . . . ?
N25J N24J C23J C16J -179.3(19) . . . . ?
Cu11 O22J C23J N24J 0(4) . . . . ?
Cu11 O22J C23J C16J -179.7(11) . . . . ?
C17J C16J C23J N24J -172(2) . . . . ?
C15J C16J C23J N24J 6(3) . . . . ?
C17J C16J C23J O22J 7(2) . . . . ?
C15J C16J C23J O22J -173.9(16) . . . . ?
N24J N25J C26J C27J 176(2) . . . . ?
Cu11 N25J C26J C27J -2(2) . . . . ?
N25J C26J C27J N32J 0.9(19) . . . . ?
N25J C26J C27J C28J -176.3(19) . . . . ?
N32J C27J C28J C29J 0.5 . . . . ?
C26J C27J C28J C29J 177.5 . . . . ?
C27J C28J C29J C30J -0.5 . . . . ?
C28J C29J C30J C31J 1.5 . . . . ?
C29J C30J C31J N32J -2.7 . . . . ?
C30J C31J N32J C27J 2.6 . . . . ?
C30J C31J N32J Cu11 -176.6(11) . . . . ?
C28J C27J N32J C31J -1.6 . . . . ?
C26J C27J N32J C31J -178.6 . . . . ?
C28J C27J N32J Cu11 177.8(9) . . . . ?
C26J C27J N32J Cu11 0.8(9) . . . . ?
C7K N8K N9K C10K -179.5(19) . . . . ?
Cu11 N8K N9K C10K -3(3) . . . . ?
C23K N24K N25K C26K -178(3) . . . . ?
C23K N24K N25K Cu12 4(3) . . . . ?
C6K N1K C2K C3K 2.6 . . . . ?
Cu11 N1K C2K C3K -174.3(12) . . . . ?
N1K C2K C3K C4K -2.7 . . . . ?
C2K C3K C4K C5K 1.5 . . . . ?
C3K C4K C5K C6K -0.5 . . . . ?
C2K N1K C6K C5K -1.6 . . . . ?
Cu11 N1K C6K C5K 176.0(10) . . . . ?
C2K N1K C6K C7K -178.6 . . . . ?
Cu11 N1K C6K C7K -1.0(9) . . . . ?
C4K C5K C6K N1K 0.5 . . . . ?
C4K C5K C6K C7K 177.5 . . . . ?
N9K N8K C7K C6K -173.4(18) . . . . ?
Cu11 N8K C7K C6K 10(2) . . . . ?
N1K C6K C7K N8K -5.5(16) . . . . ?
C5K C6K C7K N8K 177.4(16) . . . . ?
Cu11 O11K C10K N9K 5(3) . . . . ?
Cu11 O11K C10K C12K 176.7(7) . . . . ?
N8K N9K C10K O11K -2(3) . . . . ?
N8K N9K C10K C12K -174.0(14) . . . . ?
O11K C10K C12K C13K 179.5(17) . . . . ?
N9K C10K C12K C13K -7.7(16) . . . . ?
O11K C10K C12K C17K -0.5(18) . . . . ?
N9K C10K C12K C17K 172.2(16) . . . . ?
C17K C12K C13K C14K 0.0 . . . . ?
C10K C12K C13K C14K 179.9(4) . . . . ?
C12K C13K C14K C15K 0.0 . . . . ?
C12K C13K C14K S18K 179.8(8) . . . . ?
O19K S18K C14K C13K -172.4(8) . . . . ?
O20K S18K C14K C13K 66.8(8) . . . . ?
O21K S18K C14K C13K -52.5(8) . . . . ?
O19K S18K C14K C15K 7.3(9) . . . . ?
O20K S18K C14K C15K -113.4(8) . . . . ?
O21K S18K C14K C15K 127.3(8) . . . . ?
C13K C14K C15K C16K 0.0 . . . . ?
S18K C14K C15K C16K -179.8(8) . . . . ?
C14K C15K C16K C17K 0.0 . . . . ?
C14K C15K C16K C23K -179.9(14) . . . . ?
C15K C16K C17K C12K 0.0 . . . . ?
C23K C16K C17K C12K 179.9(12) . . . . ?
C13K C12K C17K C16K 0.0 . . . . ?
C10K C12K C17K C16K -179.9(4) . . . . ?
Cu12 O22K C23K N24K -7(4) . . . . ?
Cu12 O22K C23K C16K 177.4(14) . . . . ?
N25K N24K C23K O22K 3(4) . . . . ?
N25K N24K C23K C16K 178.4(18) . . . . ?
C15K C16K C23K O22K 173(2) . . . . ?
C17K C16K C23K O22K -6(3) . . . . ?
C15K C16K C23K N24K -3(3) . . . . ?
C17K C16K C23K N24K 177.6(18) . . . . ?
N24K N25K C26K C27K -175.5(19) . . . . ?
Cu12 N25K C26K C27K 2(3) . . . . ?
N25K C26K C27K N32K -5(2) . . . . ?
N25K C26K C27K C28K 178(2) . . . . ?
N32K C27K C28K C29K 0.5 . . . . ?
C26K C27K C28K C29K 177.5 . . . . ?
C27K C28K C29K C30K -0.5 . . . . ?
C28K C29K C30K C31K 1.5 . . . . ?
C29K C30K C31K N32K -2.7 . . . . ?
C30K C31K N32K C27K 2.6 . . . . ?
C30K C31K N32K Cu12 178.2(14) . . . . ?
C28K C27K N32K C31K -1.6 . . . . ?
C26K C27K N32K C31K -178.6 . . . . ?
C28K C27K N32K Cu12 -178.2(11) . . . . ?
C26K C27K N32K Cu12 4.8(11) . . . . ?
C7L N8L N9L C10L -176(2) . . . . ?
Cu12 N8L N9L C10L -7(3) . . . . ?
C23L N24L N25L C26L -173(2) . . . . ?
C23L N24L N25L Cu9 -1(3) . . . . ?
C6L N1L C2L C3L 2.6 . . . . ?
Cu12 N1L C2L C3L -165.6(12) . . . . ?
N1L C2L C3L C4L -2.7 . . . . ?
C2L C3L C4L C5L 1.5 . . . . ?
C3L C4L C5L C6L -0.5 . . . . ?
C2L N1L C6L C5L -1.6 . . . . ?
Cu12 N1L C6L C5L 169.2(9) . . . . ?
C2L N1L C6L C7L -178.6 . . . . ?
Cu12 N1L C6L C7L -7.9(9) . . . . ?
C4L C5L C6L N1L 0.5 . . . . ?
C4L C5L C6L C7L 177.5 . . . . ?
N9L N8L C7L C6L -179.5(17) . . . . ?
Cu12 N8L C7L C6L 11(3) . . . . ?
N1L C6L C7L N8L -1.2(19) . . . . ?
C5L C6L C7L N8L -178.3(19) . . . . ?
Cu12 O11L C10L N9L -9(3) . . . . ?
Cu12 O11L C10L C12L -178.2(7) . . . . ?
N8L N9L C10L O11L 11(4) . . . . ?
N8L N9L C10L C12L -179.5(16) . . . . ?
O11L C10L C12L C13L -171.2(16) . . . . ?
N9L C10L C12L C13L 18.3(19) . . . . ?
O11L C10L C12L C17L 8.7(17) . . . . ?
N9L C10L C12L C17L -161.8(19) . . . . ?
C17L C12L C13L C14L 0.0 . . . . ?
C10L C12L C13L C14L 180.0(4) . . . . ?
C12L C13L C14L C15L 0.0 . . . . ?
C12L C13L C14L S18L -178.5(8) . . . . ?
O19L S18L C14L C15L 38.6(9) . . . . ?
O20L S18L C14L C15L -81.5(9) . . . . ?
O21L S18L C14L C15L 159.3(9) . . . . ?
O19L S18L C14L C13L -142.9(8) . . . . ?
O20L S18L C14L C13L 97.0(9) . . . . ?
O21L S18L C14L C13L -22.2(9) . . . . ?
C13L C14L C15L C16L 0.0 . . . . ?
S18L C14L C15L C16L 178.5(8) . . . . ?
C14L C15L C16L C17L 0.0 . . . . ?
C14L C15L C16L C23L 178.6(14) . . . . ?
C15L C16L C17L C12L 0.0 . . . . ?
C23L C16L C17L C12L -178.7(13) . . . . ?
C13L C12L C17L C16L 0.0 . . . . ?
C10L C12L C17L C16L -180.0(4) . . . . ?
Cu9 O22L C23L C16L 176.8(14) . . . . ?
Cu9 O22L C23L N24L 4(3) . . . . ?
C15L C16L C23L O22L 171.9(17) . . . . ?
C17L C16L C23L O22L -9(2) . . . . ?
C15L C16L C23L N24L -16(3) . . . . ?
C17L C16L C23L N24L 162.9(18) . . . . ?
N25L N24L C23L O22L -2(3) . . . . ?
N25L N24L C23L C16L -175(2) . . . . ?
N24L N25L C26L C27L -174(2) . . . . ?
Cu9 N25L C26L C27L 14(3) . . . . ?
N25L C26L C27L N32L -8.2(19) . . . . ?
N25L C26L C27L C28L 174.6(19) . . . . ?
N32L C27L C28L C29L 0.5 . . . . ?
C26L C27L C28L C29L 177.5 . . . . ?
C27L C28L C29L C30L -0.5 . . . . ?
C28L C29L C30L C31L 1.5 . . . . ?
C29L C30L C31L N32L -2.7 . . . . ?
C30L C31L N32L C27L 2.6 . . . . ?
C30L C31L N32L Cu9 -174.9(14) . . . . ?
C28L C27L N32L C31L -1.6 . . . . ?
C26L C27L N32L C31L -178.6 . . . . ?
C28L C27L N32L Cu9 176.5(11) . . . . ?
C26L C27L N32L Cu9 -0.6(11) . . . . ?
C7M N8M N9M C10M -179(3) . . . . ?
Zn13 N8M N9M C10M -2(3) . . . . ?
C23M N24M N25M C26M 179(2) . . . . ?
C23M N24M N25M Cu14 -4(3) . . . . ?
C6M N1M C2M C3M 2.6 . . . . ?
Zn13 N1M C2M C3M 173.9(13) . . . . ?
N1M C2M C3M C4M -2.7 . . . . ?
C2M C3M C4M C5M 1.5 . . . . ?
C3M C4M C5M C6M -0.5 . . . . ?
C2M N1M C6M C5M -1.6 . . . . ?
Zn13 N1M C6M C5M -174.9(10) . . . . ?
C2M N1M C6M C7M -178.6 . . . . ?
Zn13 N1M C6M C7M 8.0(10) . . . . ?
C4M C5M C6M N1M 0.5 . . . . ?
C4M C5M C6M C7M 177.5 . . . . ?
N9M N8M C7M C6M -172(2) . . . . ?
Zn13 N8M C7M C6M 10(3) . . . . ?
N1M C6M C7M N8M -13(2) . . . . ?
C5M C6M C7M N8M 170(2) . . . . ?
Zn13 O11M C10M N9M 14(3) . . . . ?
Zn13 O11M C10M C12M -179.9(7) . . . . ?
N8M N9M C10M O11M -10(4) . . . . ?
N8M N9M C10M C12M -176.7(18) . . . . ?
O11M C10M C12M C13M -176.8(18) . . . . ?
N9M C10M C12M C13M -8.6(17) . . . . ?
O11M C10M C12M C17M 3.5(18) . . . . ?
N9M C10M C12M C17M 171.8(17) . . . . ?
C17M C12M C13M C14M 0.0 . . . . ?
C10M C12M C13M C14M -179.7(4) . . . . ?
C12M C13M C14M C15M 0.0 . . . . ?
C12M C13M C14M S18M -177.6(8) . . . . ?
O19M S18M C14M C13M 18.4(8) . . . . ?
O20M S18M C14M C13M -102.5(7) . . . . ?
O21M S18M C14M C13M 138.6(7) . . . . ?
O19M S18M C14M C15M -159.2(7) . . . . ?
O20M S18M C14M C15M 79.9(8) . . . . ?
O21M S18M C14M C15M -39.0(8) . . . . ?
C13M C14M C15M C16M 0.0 . . . . ?
S18M C14M C15M C16M 177.5(8) . . . . ?
C14M C15M C16M C17M 0.0 . . . . ?
C14M C15M C16M C23M -178.5(13) . . . . ?
C15M C16M C17M C12M 0.0 . . . . ?
C23M C16M C17M C12M 178.6(13) . . . . ?
C13M C12M C17M C16M 0.0 . . . . ?
C10M C12M C17M C16M 179.7(3) . . . . ?
Cu14 O22M C23M N24M 4(3) . . . . ?
Cu14 O22M C23M C16M -177.4(13) . . . . ?
N25M N24M C23M O22M 0(4) . . . . ?
N25M N24M C23M C16M -179.1(18) . . . . ?
C17M C16M C23M O22M 15(3) . . . . ?
C15M C16M C23M O22M -166.4(18) . . . . ?
C17M C16M C23M N24M -166.3(18) . . . . ?
C15M C16M C23M N24M 12(3) . . . . ?
N24M N25M C26M C27M 177.2(17) . . . . ?
Cu14 N25M C26M C27M 0(2) . . . . ?
N25M C26M C27M N32M 0.6(17) . . . . ?
N25M C26M C27M C28M -176.6(17) . . . . ?
N32M C27M C28M C29M 0.5 . . . . ?
C26M C27M C28M C29M 177.5 . . . . ?
C27M C28M C29M C30M -0.5 . . . . ?
C28M C29M C30M C31M 1.5 . . . . ?
C29M C30M C31M N32M -2.7 . . . . ?
C30M C31M N32M C27M 2.6 . . . . ?
C30M C31M N32M Cu14 -174.6(12) . . . . ?
C28M C27M N32M C31M -1.6 . . . . ?
C26M C27M N32M C31M -178.6 . . . . ?
C28M C27M N32M Cu14 176.2(10) . . . . ?
C26M C27M N32M Cu14 -0.9(10) . . . . ?
C7N N8N N9N C10N -178(3) . . . . ?
Cu14 N8N N9N C10N 9(3) . . . . ?
C23N N24N N25N C26N 177(2) . . . . ?
C23N N24N N25N Zn15 -6(3) . . . . ?
C6N N1N C2N C3N 2.6 . . . . ?
Cu14 N1N C2N C3N -179.3(13) . . . . ?
N1N C2N C3N C4N -2.7 . . . . ?
C2N C3N C4N C5N 1.5 . . . . ?
C3N C4N C5N C6N -0.5 . . . . ?
C2N N1N C6N C5N -1.6 . . . . ?
Cu14 N1N C6N C5N 179.9(10) . . . . ?
C2N N1N C6N C7N -178.6 . . . . ?
Cu14 N1N C6N C7N 2.9(10) . . . . ?
C4N C5N C6N N1N 0.5 . . . . ?
C4N C5N C6N C7N 177.5 . . . . ?
N9N N8N C7N C6N -178(2) . . . . ?
Cu14 N8N C7N C6N -5(3) . . . . ?
N1N C6N C7N N8N 1(2) . . . . ?
C5N C6N C7N N8N -176(2) . . . . ?
Cu14 O11N C10N N9N 11(3) . . . . ?
Cu14 O11N C10N C12N 177.8(8) . . . . ?
N8N N9N C10N O11N -13(3) . . . . ?
N8N N9N C10N C12N 179.5(16) . . . . ?
O11N C10N C12N C13N -170.1(17) . . . . ?
N9N C10N C12N C13N -2.4(18) . . . . ?
O11N C10N C12N C17N 10.1(17) . . . . ?
N9N C10N C12N C17N 177.7(18) . . . . ?
C17N C12N C13N C14N 0.0 . . . . ?
C10N C12N C13N C14N -179.9(4) . . . . ?
C12N C13N C14N C15N 0.0 . . . . ?
C12N C13N C14N S18N -179.7(8) . . . . ?
O19N S18N C14N C13N -126.0(9) . . . . ?
O20N S18N C14N C13N 112.9(9) . . . . ?
O21N S18N C14N C13N -6.2(9) . . . . ?
O19N S18N C14N C15N 54.3(9) . . . . ?
O20N S18N C14N C15N -66.8(9) . . . . ?
O21N S18N C14N C15N 174.2(8) . . . . ?
C13N C14N C15N C16N 0.0 . . . . ?
S18N C14N C15N C16N 179.7(8) . . . . ?
C14N C15N C16N C17N 0.0 . . . . ?
C14N C15N C16N C23N -178.4(14) . . . . ?
C15N C16N C17N C12N 0.0 . . . . ?
C23N C16N C17N C12N 178.6(12) . . . . ?
C13N C12N C17N C16N 0.0 . . . . ?
C10N C12N C17N C16N 179.9(4) . . . . ?
Zn15 O22N C23N N24N 4(3) . . . . ?
Zn15 O22N C23N C16N -173.4(13) . . . . ?
N25N N24N C23N O22N 1(4) . . . . ?
N25N N24N C23N C16N 178.8(17) . . . . ?
C17N C16N C23N O22N -2(3) . . . . ?
C15N C16N C23N O22N 176.6(19) . . . . ?
C17N C16N C23N N24N -180.0(16) . . . . ?
C15N C16N C23N N24N -1(2) . . . . ?
N24N N25N C26N C27N -176.2(18) . . . . ?
Zn15 N25N C26N C27N 7(2) . . . . ?
N25N C26N C27N N32N -4.8(17) . . . . ?
N25N C26N C27N C28N 178.1(18) . . . . ?
N32N C27N C28N C29N 0.5 . . . . ?
C26N C27N C28N C29N 177.5 . . . . ?
C27N C28N C29N C30N -0.5 . . . . ?
C28N C29N C30N C31N 1.5 . . . . ?
C29N C30N C31N N32N -2.7 . . . . ?
C30N C31N N32N C27N 2.6 . . . . ?
C30N C31N N32N Zn15 -175.9(11) . . . . ?
C28N C27N N32N C31N -1.6 . . . . ?
C26N C27N N32N C31N -178.6 . . . . ?
C28N C27N N32N Zn15 177.3(9) . . . . ?
C26N C27N N32N Zn15 0.2(9) . . . . ?
C7O N8O N9O C10O 175(2) . . . . ?
Zn15 N8O N9O C10O 2(2) . . . . ?
C23O N24O N25O C26O -179(2) . . . . ?
C23O N24O N25O Zn16 3(3) . . . . ?
C6O N1O C2O C3O 2.6 . . . . ?
Zn15 N1O C2O C3O 179.5(13) . . . . ?
N1O C2O C3O C4O -2.7 . . . . ?
C2O C3O C4O C5O 1.5 . . . . ?
C3O C4O C5O C6O -0.5 . . . . ?
C2O N1O C6O C5O -1.6 . . . . ?
Zn15 N1O C6O C5O -179.1(11) . . . . ?
C2O N1O C6O C7O -178.6 . . . . ?
Zn15 N1O C6O C7O 3.9(11) . . . . ?
C4O C5O C6O N1O 0.5 . . . . ?
C4O C5O C6O C7O 177.5 . . . . ?
N9O N8O C7O C6O 178.9(17) . . . . ?
Zn15 N8O C7O C6O -7(2) . . . . ?
N1O C6O C7O N8O 1.9(19) . . . . ?
C5O C6O C7O N8O -175.2(19) . . . . ?
Zn15 O11O C10O N9O 4(3) . . . . ?
Zn15 O11O C10O C12O 178.6(7) . . . . ?
N8O N9O C10O O11O -4(3) . . . . ?
N8O N9O C10O C12O -178.5(14) . . . . ?
O11O C10O C12O C13O -169.2(15) . . . . ?
N9O C10O C12O C13O 5.3(15) . . . . ?
O11O C10O C12O C17O 11.5(16) . . . . ?
N9O C10O C12O C17O -174.0(15) . . . . ?
C17O C12O C13O C14O 0.0 . . . . ?
C10O C12O C13O C14O -179.3(4) . . . . ?
C12O C13O C14O C15O 0.0 . . . . ?
C12O C13O C14O S18O -176.7(8) . . . . ?
O19O S18O C14O C15O -153.2(8) . . . . ?
O20O S18O C14O C15O 86.1(8) . . . . ?
O21O S18O C14O C15O -33.2(8) . . . . ?
O19O S18O C14O C13O 23.5(9) . . . . ?
O20O S18O C14O C13O -97.3(8) . . . . ?
O21O S18O C14O C13O 143.5(8) . . . . ?
C13O C14O C15O C16O 0.0 . . . . ?
S18O C14O C15O C16O 176.7(8) . . . . ?
C14O C15O C16O C17O 0.0 . . . . ?
C14O C15O C16O C23O -175.8(14) . . . . ?
C15O C16O C17O C12O 0.0 . . . . ?
C23O C16O C17O C12O 176.2(12) . . . . ?
C13O C12O C17O C16O 0.0 . . . . ?
C10O C12O C17O C16O 179.3(4) . . . . ?
Zn16 O22O C23O N24O 2(3) . . . . ?
Zn16 O22O C23O C16O -179.0(13) . . . . ?
N25O N24O C23O O22O -4(4) . . . . ?
N25O N24O C23O C16O 177.6(18) . . . . ?
C17O C16O C23O O22O -6(2) . . . . ?
C15O C16O C23O O22O 169.5(17) . . . . ?
C17O C16O C23O N24O 172.3(19) . . . . ?
C15O C16O C23O N24O -12(3) . . . . ?
N24O N25O C26O C27O 178.2(18) . . . . ?
Zn16 N25O C26O C27O -4(3) . . . . ?
N25O C26O C27O N32O -2.7(18) . . . . ?
N25O C26O C27O C28O -179.9(18) . . . . ?
N32O C27O C28O C29O 0.5 . . . . ?
C26O C27O C28O C29O 177.5 . . . . ?
C27O C28O C29O C30O -0.5 . . . . ?
C28O C29O C30O C31O 1.5 . . . . ?
C29O C30O C31O N32O -2.7 . . . . ?
C30O C31O N32O C27O 2.6 . . . . ?
C30O C31O N32O Zn16 175.3(11) . . . . ?
C28O C27O N32O C31O -1.6 . . . . ?
C26O C27O N32O C31O -178.6 . . . . ?
C28O C27O N32O Zn16 -175.4(10) . . . . ?
C26O C27O N32O Zn16 7.5(10) . . . . ?
C7P N8P N9P C10P 180(2) . . . . ?
Zn16 N8P N9P C10P 4(3) . . . . ?
C23P N24P N25P C26P -178(3) . . . . ?
C23P N24P N25P Zn13 1(3) . . . . ?
C6P N1P C2P C3P 2.6 . . . . ?
Zn16 N1P C2P C3P 179.2(10) . . . . ?
N1P C2P C3P C4P -2.7 . . . . ?
C2P C3P C4P C5P 1.5 . . . . ?
C3P C4P C5P C6P -0.5 . . . . ?
C2P N1P C6P C5P -1.6 . . . . ?
Zn16 N1P C6P C5P -178.7(9) . . . . ?
C2P N1P C6P C7P -178.6 . . . . ?
Zn16 N1P C6P C7P 4.2(9) . . . . ?
C4P C5P C6P N1P 0.5 . . . . ?
C4P C5P C6P C7P 177.5 . . . . ?
N9P N8P C7P C6P 176.7(17) . . . . ?
Zn16 N8P C7P C6P -8(2) . . . . ?
N1P C6P C7P N8P 1.8(17) . . . . ?
C5P C6P C7P N8P -175.4(17) . . . . ?
N8P N9P C10P O11P 0(3) . . . . ?
N8P N9P C10P C12P 173.9(15) . . . . ?
Zn16 O11P C10P N9P -4(3) . . . . ?
Zn16 O11P C10P C12P -178.5(8) . . . . ?
N9P C10P C12P C13P -2(2) . . . . ?
O11P C10P C12P C13P 172.3(15) . . . . ?
N9P C10P C12P C17P 178(2) . . . . ?
O11P C10P C12P C17P -7.9(15) . . . . ?
C17P C12P C13P C14P 0.0 . . . . ?
C10P C12P C13P C14P 179.8(4) . . . . ?
C12P C13P C14P C15P 0.0 . . . . ?
C12P C13P C14P S18P 176.1(8) . . . . ?
O19P S18P C14P C15P -137.5(9) . . . . ?
O20P S18P C14P C15P 102.7(9) . . . . ?
O21P S18P C14P C15P -16.6(10) . . . . ?
O19P S18P C14P C13P 46.4(10) . . . . ?
O20P S18P C14P C13P -73.4(10) . . . . ?
O21P S18P C14P C13P 167.2(9) . . . . ?
C13P C14P C15P C16P 0.0 . . . . ?
S18P C14P C15P C16P -176.2(8) . . . . ?
C14P C15P C16P C17P 0.0 . . . . ?
C14P C15P C16P C23P 179.4(14) . . . . ?
C15P C16P C17P C12P 0.0 . . . . ?
C23P C16P C17P C12P -179.5(12) . . . . ?
C13P C12P C17P C16P 0.0 . . . . ?
C10P C12P C17P C16P -179.8(4) . . . . ?
Zn13 O22P C23P N24P 12(3) . . . . ?
Zn13 O22P C23P C16P -174.0(13) . . . . ?
N25P N24P C23P O22P -9(4) . . . . ?
N25P N24P C23P C16P 177(2) . . . . ?
C17P C16P C23P O22P 10(2) . . . . ?
C15P C16P C23P O22P -169.0(17) . . . . ?
C17P C16P C23P N24P -174.8(19) . . . . ?
C15P C16P C23P N24P 6(3) . . . . ?
N24P N25P C26P C27P 179(2) . . . . ?
Zn13 N25P C26P C27P 0(3) . . . . ?
N25P C26P C27P N32P 0(2) . . . . ?
N25P C26P C27P C28P -177(2) . . . . ?
N32P C27P C28P C29P 0.5 . . . . ?
C26P C27P C28P C29P 177.5 . . . . ?
C27P C28P C29P C30P -0.5 . . . . ?
C28P C29P C30P C31P 1.5 . . . . ?
C29P C30P C31P N32P -2.7 . . . . ?
C30P C31P N32P C27P 2.6 . . . . ?
C30P C31P N32P Zn13 -176.3(14) . . . . ?
C28P C27P N32P C31P -1.6 . . . . ?
C26P C27P N32P C31P -178.6 . . . . ?
C28P C27P N32P Zn13 177.5(11) . . . . ?
C26P C27P N32P Zn13 0.5(11) . . . . ?
Zn1Z O1Z C1Z N1Z 174.5 . . . . ?
C3Z N1Z C1Z O1Z 179.0 . . . . ?
C2Z N1Z C1Z O1Z 0.3 . . . . ?
O1S C1S N1S C2S -3.7 . . . . ?
O1S C1S N1S C3S 177.8 . . . . ?
O2S C4S N2S C5S -0.2 . . . . ?
O2S C4S N2S C6S 179.8 . . . . ?
O1T C1T N1T C2T -0.1 . . . . ?
O1T C1T N1T C3T 179.8 . . . . ?
O1U C1U N1U C2U -0.1 . . . . ?
O1U C1U N1U C3U 179.8 . . . . ?

_refine_diff_density_max         1.199
_refine_diff_density_min         -0.658
_refine_diff_density_rms         0.165

_shelxl_version_number           2013-4





####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4
_database_code_depnum_ccdc_archive 'CCDC 1054511'
_audit_update_record             
;
2015-05-08 deposited with the CCDC.
2015-06-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C325.25 H227.25 Cu16 N97.75 O116.25 S16'
_chemical_formula_weight         8894.38

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   24.6594(6)
_cell_length_b                   26.1086(6)
_cell_length_c                   38.5294(8)
_cell_angle_alpha                71.7131(19)
_cell_angle_beta                 78.2731(18)
_cell_angle_gamma                87.7169(19)
_cell_volume                     23054.1(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.281
_exptl_crystal_F_000             9026
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.268
_exptl_crystal_size_mid          0.084
_exptl_crystal_size_min          0.024
_exptl_absorpt_coefficient_mu    2.157
_shelx_estimated_absorpt_T_min   0.596
_shelx_estimated_absorpt_T_max   0.950
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            129534
_diffrn_reflns_av_unetI/netI     0.0746
_diffrn_reflns_av_R_equivalents  0.0513
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_theta_min         3.241
_diffrn_reflns_theta_max         67.750
_diffrn_reflns_theta_full        67.750
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measured_fraction_theta_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_point_group_measured_fraction_full 0.983
_reflns_number_total             82140
_reflns_number_gt                42921
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²+1.0000sinθ] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         82140
_refine_ls_number_parameters     5364
_refine_ls_number_restraints     12093
_refine_ls_R_factor_all          0.1676
_refine_ls_R_factor_gt           0.1152
_refine_ls_wR_factor_ref         0.3676
_refine_ls_wR_factor_gt          0.3071
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_restrained_S_all      1.081
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.28268(4) 0.63440(4) 0.55975(3) 0.0649(3) Uani 1 1 d . U . . .
Cu2 Cu 0.39531(6) 0.54810(6) 0.76192(4) 0.0917(4) Uani 1 1 d . U . . .
Cu3 Cu 0.70908(5) 0.68238(5) 0.64991(3) 0.0786(3) Uani 1 1 d . U . . .
Cu4 Cu 0.59000(5) 0.81438(4) 0.44638(3) 0.0698(3) Uani 1 1 d . U . . .
Cu5 Cu 0.27972(8) 0.36921(6) 0.73449(4) 0.1101(5) Uani 1 1 d . U . . .
Cu6 Cu 0.20464(8) 0.40694(7) 0.95383(4) 0.1119(5) Uani 1 1 d . U . . .
Cu7 Cu 0.48414(6) 0.65685(6) 0.85262(4) 0.0895(4) Uani 1 1 d . U . . .
Cu8 Cu 0.48384(5) 0.65509(5) 0.63115(3) 0.0753(3) Uani 1 1 d . U . . .
Cu9 Cu 0.31095(7) 0.84259(10) 0.33157(5) 0.1300(7) Uani 1 1 d . U . . .
Cu10 Cu 0.14915(10) 1.00325(10) 0.15614(7) 0.1410(7) Uani 1 1 d . U . . .
Cu11 Cu -0.15959(5) 0.97618(5) 0.28680(3) 0.0792(3) Uani 1 1 d . U . . .
Cu12 Cu -0.01784(7) 0.78338(7) 0.46791(4) 0.1033(4) Uani 1 1 d . U . . .
Cu13 Cu 0.30539(6) 0.84983(6) 0.11178(4) 0.0945(4) Uani 1 1 d . U . . .
Cu14 Cu 0.22713(5) 1.15454(6) -0.06136(4) 0.0832(3) Uani 1 1 d . U . . .
Cu15 Cu 0.02604(7) 1.20715(6) 0.13444(4) 0.0973(4) Uani 1 1 d . U . . .
Cu16 Cu 0.08195(6) 0.91270(5) 0.28976(4) 0.0815(3) Uani 1 1 d . U . . .
N1A N 0.2430(2) 0.6579(2) 0.50738(15) 0.0713(14) Uani 1 1 d D U . . .
C2A C 0.1999(3) 0.6879(3) 0.4986(2) 0.085(2) Uani 1 1 d D U . . .
H2A H 0.1804 0.7049 0.5157 0.103 Uiso 1 1 calc R U . . .
C3A C 0.1825(3) 0.6953(4) 0.4652(2) 0.099(3) Uani 1 1 d D U . . .
H3A H 0.1515 0.7168 0.4597 0.119 Uiso 1 1 calc R U . . .
C4A C 0.2105(4) 0.6714(4) 0.4405(2) 0.100(3) Uani 1 1 d D U . . .
H4A H 0.1992 0.6761 0.4176 0.120 Uiso 1 1 calc R U . . .
C5A C 0.2558(3) 0.6401(3) 0.4490(2) 0.084(2) Uani 1 1 d D U . . .
H5A H 0.2763 0.6234 0.4320 0.101 Uiso 1 1 calc R U . . .
C6A C 0.2701(3) 0.6338(3) 0.48283(17) 0.0701(17) Uani 1 1 d D U . . .
C7A C 0.3165(3) 0.5998(3) 0.4943(2) 0.0668(17) Uani 1 1 d . U . . .
H7A H 0.3384 0.5823 0.4783 0.080 Uiso 1 1 calc R U . . .
C10A C 0.3751(3) 0.5569(3) 0.57348(18) 0.0582(14) Uani 1 1 d . U . . .
C12A C 0.4191(2) 0.5196(2) 0.58791(17) 0.0581(14) Uani 1 1 d . U . . .
C13A C 0.4564(3) 0.4940(3) 0.56747(19) 0.0663(17) Uani 1 1 d . U . . .
H13A H 0.4556 0.4994 0.5420 0.080 Uiso 1 1 calc R U . . .
C14A C 0.4953(3) 0.4602(3) 0.5841(2) 0.076(2) Uani 1 1 d D U . . .
C15A C 0.4971(3) 0.4521(3) 0.6212(2) 0.0699(18) Uani 1 1 d . U . . .
H15A H 0.5237 0.4290 0.6324 0.084 Uiso 1 1 calc R U . . .
C16A C 0.4593(3) 0.4783(3) 0.64204(19) 0.0628(15) Uani 1 1 d . U . . .
C17A C 0.4213(3) 0.5111(3) 0.62538(18) 0.0581(14) Uani 1 1 d . U . . .
H17A H 0.3957 0.5287 0.6395 0.070 Uiso 1 1 calc R U . . .
C23A C 0.4629(3) 0.4646(3) 0.68206(19) 0.0638(15) Uani 1 1 d . U . . .
C26A C 0.4598(3) 0.4598(3) 0.7583(2) 0.0743(18) Uani 1 1 d . U . . .
H26A H 0.4782 0.4317 0.7501 0.089 Uiso 1 1 calc R U . . .
C27A C 0.4567(2) 0.4603(2) 0.79650(16) 0.0717(17) Uani 1 1 d D U . . .
C28A C 0.4796(4) 0.4211(3) 0.82206(19) 0.089(2) Uani 1 1 d D U . . .
H28A H 0.4987 0.3921 0.8155 0.107 Uiso 1 1 calc R U . . .
C29A C 0.4743(4) 0.4249(3) 0.85752(19) 0.096(2) Uani 1 1 d D U . . .
H29A H 0.4886 0.3976 0.8760 0.115 Uiso 1 1 calc R U . . .
C30A C 0.4486(4) 0.4675(4) 0.8660(2) 0.097(2) Uani 1 1 d D U . . .
H30A H 0.4457 0.4709 0.8901 0.116 Uiso 1 1 calc R U . . .
C31A C 0.4263(4) 0.5062(3) 0.83886(19) 0.093(2) Uani 1 1 d D U . . .
H31A H 0.4079 0.5358 0.8450 0.112 Uiso 1 1 calc R U . . .
N32A N 0.4302(3) 0.5029(3) 0.80443(15) 0.0779(16) Uani 1 1 d D U . . .
N8A N 0.3262(2) 0.5945(2) 0.52642(15) 0.0595(12) Uani 1 1 d D U . . .
N9A N 0.3686(2) 0.5626(2) 0.53811(15) 0.0590(12) Uani 1 1 d D U . . .
H9A H 0.3904 0.5467 0.5237 0.071 Uiso 1 1 calc R U . . .
N24A N 0.4411(3) 0.5014(2) 0.69916(15) 0.0637(13) Uani 1 1 d . U . . .
H24A H 0.4280 0.5308 0.6851 0.076 Uiso 1 1 calc R U . . .
N25A N 0.4373(3) 0.4976(3) 0.73610(16) 0.0702(14) Uani 1 1 d . U . . .
O11A O 0.3448(2) 0.5795(2) 0.59313(13) 0.0664(11) Uani 1 1 d . U . . .
O19A O 0.5069(3) 0.3700(3) 0.5687(2) 0.114(2) Uani 1 1 d D U . . .
O20A O 0.5876(3) 0.4109(4) 0.57706(19) 0.115(3) Uani 1 1 d D U . . .
O21A O 0.5499(3) 0.4522(3) 0.52184(14) 0.122(3) Uani 1 1 d D U . . .
O22A O 0.4831(3) 0.4223(3) 0.69779(16) 0.0902(17) Uani 1 1 d . U . . .
S18A S 0.53894(11) 0.41992(13) 0.56106(6) 0.1027(9) Uani 1 1 d D U . . .
N1B N 0.3119(3) 0.5404(3) 0.78248(18) 0.0883(18) Uani 1 1 d D U . . .
C2B C 0.2777(3) 0.4973(3) 0.79839(19) 0.095(2) Uani 1 1 d D U . . .
H2B H 0.2919 0.4625 0.7998 0.115 Uiso 1 1 calc R U . . .
C3B C 0.2219(3) 0.5020(4) 0.8129(2) 0.106(3) Uani 1 1 d D U . . .
H3B H 0.1984 0.4707 0.8240 0.127 Uiso 1 1 calc R U . . .
C4B C 0.2016(4) 0.5511(4) 0.8112(3) 0.112(3) Uani 1 1 d D U . . .
H4B H 0.1638 0.5546 0.8216 0.134 Uiso 1 1 calc R U . . .
C5B C 0.2355(3) 0.5964(4) 0.7943(3) 0.102(3) Uani 1 1 d D U . . .
H5B H 0.2212 0.6313 0.7920 0.122 Uiso 1 1 calc R U . . .
C6B C 0.2907(3) 0.5898(3) 0.7810(2) 0.086(2) Uani 1 1 d D U . . .
C7B C 0.3284(4) 0.6359(4) 0.7631(2) 0.086(2) Uani 1 1 d . U . . .
H7B H 0.3163 0.6716 0.7610 0.103 Uiso 1 1 calc R U . . .
C10B C 0.4163(4) 0.7200(4) 0.7349(2) 0.0806(19) Uani 1 1 d . U . . .
C12B C 0.4636(4) 0.7569(4) 0.71340(17) 0.0766(17) Uani 1 1 d . U . . .
C13B C 0.4568(4) 0.8128(4) 0.7039(2) 0.087(2) Uani 1 1 d . U . . .
H13B H 0.4215 0.8264 0.7114 0.105 Uiso 1 1 calc R U . . .
C14B C 0.4988(4) 0.8473(3) 0.6845(3) 0.094(2) Uani 1 1 d D U . . .
C15B C 0.5519(4) 0.8304(4) 0.6732(2) 0.084(2) Uani 1 1 d . U . . .
H15B H 0.5815 0.8557 0.6601 0.101 Uiso 1 1 calc R U . . .
C16B C 0.5602(3) 0.7743(3) 0.6820(2) 0.0696(16) Uani 1 1 d . U . . .
C17B C 0.5167(3) 0.7390(3) 0.7015(2) 0.0715(17) Uani 1 1 d . U . . .
H17B H 0.5225 0.7014 0.7071 0.086 Uiso 1 1 calc R U . . .
C23B C 0.6147(3) 0.7506(3) 0.6704(2) 0.0688(16) Uani 1 1 d . U . . .
C26B C 0.7529(4) 0.7901(4) 0.6307(2) 0.082(2) Uani 1 1 d . U . . .
H26B H 0.7531 0.8277 0.6274 0.099 Uiso 1 1 calc R U . . .
C27B C 0.8039(3) 0.7632(3) 0.61962(16) 0.0803(18) Uani 1 1 d D U . . .
C28B C 0.8540(3) 0.7907(3) 0.6040(2) 0.088(2) Uani 1 1 d D U . . .
H28B H 0.8566 0.8285 0.5997 0.106 Uiso 1 1 calc R U . . .
C29B C 0.9001(3) 0.7626(3) 0.5947(3) 0.102(3) Uani 1 1 d D U . . .
H29B H 0.9351 0.7805 0.5841 0.123 Uiso 1 1 calc R U . . .
C30B C 0.8948(3) 0.7090(4) 0.6007(3) 0.107(3) Uani 1 1 d D U . . .
H30B H 0.9262 0.6888 0.5947 0.129 Uiso 1 1 calc R U . . .
C31B C 0.8430(3) 0.6835(3) 0.6159(3) 0.096(2) Uani 1 1 d D U . . .
H31B H 0.8396 0.6461 0.6193 0.115 Uiso 1 1 calc R U . . .
N32B N 0.7981(3) 0.7095(2) 0.62587(19) 0.0819(16) Uani 1 1 d D U . . .
N8B N 0.3792(3) 0.6266(3) 0.75030(17) 0.0789(16) Uani 1 1 d D U . . .
N9B N 0.4175(3) 0.6699(3) 0.73154(18) 0.0776(16) Uani 1 1 d D U . . .
H9B H 0.4459 0.6635 0.7156 0.093 Uiso 1 1 calc R U . . .
N24B N 0.6591(3) 0.7849(3) 0.6561(2) 0.0758(15) Uani 1 1 d . U . . .
N25B N 0.7079(3) 0.7609(3) 0.64512(18) 0.0748(15) Uani 1 1 d . U . . .
O11B O 0.3777(3) 0.7344(3) 0.7557(2) 0.0991(18) Uani 1 1 d . U . . .
O19B O 0.5351(4) 0.9456(4) 0.6532(5) 0.242(7) Uani 1 1 d D U . . .
O20B O 0.4606(6) 0.9261(5) 0.7078(3) 0.212(5) Uani 1 1 d D U . . .
O21B O 0.4425(6) 0.9263(5) 0.6517(4) 0.234(6) Uani 1 1 d D U . . .
O22B O 0.6180(2) 0.7023(2) 0.67336(16) 0.0760(13) Uani 1 1 d . U . . .
S18B S 0.4864(2) 0.91779(13) 0.67248(12) 0.1432(14) Uani 1 1 d D U . . .
N1C N 0.7155(3) 0.6480(3) 0.70431(18) 0.0844(17) Uani 1 1 d D U . . .
C2C C 0.7139(3) 0.6695(3) 0.7314(2) 0.105(3) Uani 1 1 d D U . . .
H2C H 0.7098 0.7074 0.7259 0.126 Uiso 1 1 calc R U . . .
C3C C 0.7181(4) 0.6390(4) 0.7675(2) 0.120(3) Uani 1 1 d D U . . .
H3C H 0.7170 0.6558 0.7862 0.144 Uiso 1 1 calc R U . . .
C4C C 0.7238(6) 0.5849(4) 0.7756(3) 0.130(4) Uani 1 1 d D U . . .
H4C H 0.7255 0.5634 0.8003 0.156 Uiso 1 1 calc R U . . .
C5C C 0.7270(5) 0.5612(3) 0.7477(2) 0.114(3) Uani 1 1 d D U . . .
H5C H 0.7330 0.5237 0.7526 0.137 Uiso 1 1 calc R U . . .
C6C C 0.7212(4) 0.5937(3) 0.7126(2) 0.092(2) Uani 1 1 d D U . . .
C7C C 0.7200(4) 0.5733(4) 0.6822(3) 0.090(2) Uani 1 1 d . U . . .
H7C H 0.7240 0.5361 0.6845 0.108 Uiso 1 1 calc R U . . .
C10C C 0.7014(3) 0.6413(3) 0.5939(2) 0.0706(17) Uani 1 1 d . U . . .
C12C C 0.6955(2) 0.6365(3) 0.5571(2) 0.0675(16) Uani 1 1 d . U . . .
C13C C 0.7142(3) 0.5902(3) 0.5470(3) 0.0768(19) Uani 1 1 d . U . . .
H13C H 0.7310 0.5617 0.5632 0.092 Uiso 1 1 calc R U . . .
C14C C 0.7070(4) 0.5878(3) 0.5125(2) 0.080(2) Uani 1 1 d D U . . .
C15C C 0.6831(4) 0.6288(3) 0.4886(2) 0.0769(19) Uani 1 1 d . U . . .
H15C H 0.6785 0.6260 0.4654 0.092 Uiso 1 1 calc R U . . .
C16C C 0.6655(3) 0.6750(3) 0.4989(2) 0.0666(16) Uani 1 1 d . U . . .
C17C C 0.6728(3) 0.6780(3) 0.5329(2) 0.0644(15) Uani 1 1 d . U . . .
H17C H 0.6619 0.7095 0.5396 0.077 Uiso 1 1 calc R U . . .
C23C C 0.6377(3) 0.7195(3) 0.4742(2) 0.0657(16) Uani 1 1 d . U . . .
C26C C 0.5896(5) 0.7637(4) 0.3932(3) 0.097(3) Uani 1 1 d . U . . .
H26C H 0.5971 0.7380 0.3802 0.116 Uiso 1 1 calc R U . . .
C27C C 0.5611(3) 0.8134(3) 0.37918(18) 0.092(2) Uani 1 1 d D U . . .
C28C C 0.5418(5) 0.8272(4) 0.3462(2) 0.113(4) Uani 1 1 d D U . . .
H28C H 0.5470 0.8039 0.3313 0.136 Uiso 1 1 calc R U . . .
C29C C 0.5149(5) 0.8753(3) 0.3353(2) 0.107(3) Uani 1 1 d D U . . .
H29C H 0.5009 0.8850 0.3130 0.128 Uiso 1 1 calc R U . . .
C30C C 0.5087(4) 0.9083(3) 0.3566(2) 0.100(3) Uani 1 1 d D U . . .
H30C H 0.4910 0.9418 0.3492 0.120 Uiso 1 1 calc R U . . .
C31C C 0.5289(4) 0.8923(3) 0.3897(2) 0.086(2) Uani 1 1 d D U . . .
H31C H 0.5236 0.9151 0.4050 0.103 Uiso 1 1 calc R U . . .
N32C N 0.5550(3) 0.8466(2) 0.40047(16) 0.0795(16) Uani 1 1 d D U . . .
N8C N 0.7132(3) 0.6084(3) 0.65186(19) 0.0792(16) Uani 1 1 d D U . . .
N9C N 0.7116(3) 0.5956(3) 0.62001(19) 0.0837(17) Uani 1 1 d D U . . .
N24C N 0.6298(3) 0.7128(3) 0.44290(18) 0.0778(17) Uani 1 1 d . U . . .
N25C N 0.6040(3) 0.7569(3) 0.42482(18) 0.0750(15) Uani 1 1 d . U . . .
O11C O 0.6958(2) 0.6873(2) 0.59824(16) 0.0736(13) Uani 1 1 d . U . . .
O19C O 0.7824(5) 0.5422(4) 0.4770(4) 0.261(7) Uani 1 1 d D U . . .
O20C O 0.6931(6) 0.5226(4) 0.4769(3) 0.217(5) Uani 1 1 d D U . . .
O21C O 0.7281(4) 0.4857(2) 0.53332(19) 0.112(2) Uani 1 1 d D U . . .
O22C O 0.6232(2) 0.76006(19) 0.48534(14) 0.0683(12) Uani 1 1 d . U . . .
S18C S 0.7282(2) 0.52930(11) 0.50008(10) 0.1529(17) Uani 1 1 d D U . . .
N1D N 0.6702(3) 0.8662(2) 0.42743(16) 0.0754(15) Uani 1 1 d D U . . .
C2D C 0.7184(3) 0.8625(3) 0.40568(19) 0.086(2) Uani 1 1 d D U . . .
H2D H 0.7200 0.8411 0.3896 0.103 Uiso 1 1 calc R U . . .
C3D C 0.7666(3) 0.8885(3) 0.4054(2) 0.087(2) Uani 1 1 d D U . . .
H3D H 0.8003 0.8850 0.3894 0.105 Uiso 1 1 calc R U . . .
C4D C 0.7649(3) 0.9190(3) 0.4283(2) 0.090(2) Uani 1 1 d D U . . .
H4D H 0.7975 0.9369 0.4286 0.108 Uiso 1 1 calc R U . . .
C5D C 0.7152(3) 0.9237(3) 0.4513(2) 0.0788(19) Uani 1 1 d D U . . .
H5D H 0.7131 0.9449 0.4675 0.095 Uiso 1 1 calc R U . . .
C6D C 0.6688(3) 0.8971(3) 0.45011(19) 0.0717(16) Uani 1 1 d D U . . .
C7D C 0.6143(4) 0.9011(3) 0.4730(2) 0.0725(17) Uani 1 1 d . U . . .
H7D H 0.6083 0.9257 0.4870 0.087 Uiso 1 1 calc R U . . .
C10D C 0.4860(3) 0.8349(3) 0.49601(18) 0.0657(15) Uani 1 1 d . U . . .
C12D C 0.4287(3) 0.8368(3) 0.51805(15) 0.0668(15) Uani 1 1 d . U . . .
C13D C 0.4069(4) 0.8806(3) 0.5286(2) 0.0741(18) Uani 1 1 d . U . . .
H13D H 0.4286 0.9128 0.5217 0.089 Uiso 1 1 calc R U . . .
C14D C 0.3530(4) 0.8772(3) 0.5493(2) 0.0780(18) Uani 1 1 d D U . . .
C15D C 0.3212(4) 0.8297(3) 0.5599(2) 0.0726(18) Uani 1 1 d . U . . .
H15D H 0.2851 0.8272 0.5750 0.087 Uiso 1 1 calc R U . . .
C16D C 0.3421(3) 0.7862(3) 0.5485(2) 0.0657(15) Uani 1 1 d . U . . .
C17D C 0.3955(3) 0.7908(3) 0.52694(19) 0.0646(15) Uani 1 1 d . U . . .
H17D H 0.4095 0.7618 0.5181 0.077 Uiso 1 1 calc R U . . .
C23D C 0.3113(3) 0.7346(3) 0.5584(2) 0.0643(15) Uani 1 1 d . U . . .
C26D C 0.1982(3) 0.6561(3) 0.6124(2) 0.0712(17) Uani 1 1 d . U . . .
H26D H 0.1753 0.6758 0.6265 0.085 Uiso 1 1 calc R U . . .
C27D C 0.1851(2) 0.6005(2) 0.61572(15) 0.0687(16) Uani 1 1 d D U . . .
C28D C 0.1410(3) 0.5705(3) 0.6410(2) 0.084(2) Uani 1 1 d D U . . .
H28D H 0.1164 0.5852 0.6576 0.101 Uiso 1 1 calc R U . . .
C29D C 0.1338(3) 0.5181(3) 0.6412(3) 0.095(2) Uani 1 1 d D U . . .
H29D H 0.1043 0.4960 0.6586 0.115 Uiso 1 1 calc R U . . .
C30D C 0.1686(4) 0.4978(3) 0.6169(3) 0.101(3) Uani 1 1 d D U . . .
H30D H 0.1628 0.4622 0.6166 0.121 Uiso 1 1 calc R U . . .
C31D C 0.2127(3) 0.5299(3) 0.5923(2) 0.086(2) Uani 1 1 d D U . . .
H31D H 0.2378 0.5154 0.5758 0.103 Uiso 1 1 calc R U . . .
N32D N 0.2207(2) 0.5806(2) 0.59156(16) 0.0710(14) Uani 1 1 d D U . . .
N8D N 0.5753(2) 0.8699(2) 0.47320(16) 0.0654(13) Uani 1 1 d D U . . .
N9D N 0.5233(3) 0.8731(2) 0.49403(16) 0.0674(13) Uani 1 1 d D U . . .
N24D N 0.2626(3) 0.7277(3) 0.58306(18) 0.0693(14) Uani 1 1 d . U . . .
N25D N 0.2425(3) 0.6764(2) 0.58925(17) 0.0659(13) Uani 1 1 d . U . . .
O11D O 0.4980(2) 0.8002(2) 0.48077(15) 0.0707(12) Uani 1 1 d . U . . .
O19D O 0.2905(4) 0.9591(3) 0.5325(2) 0.130(3) Uani 1 1 d D U . . .
O20D O 0.3674(3) 0.9669(3) 0.5611(2) 0.1002(19) Uani 1 1 d D U . . .
O21D O 0.2880(3) 0.9140(3) 0.59713(19) 0.118(2) Uani 1 1 d D U . . .
O22D O 0.3322(2) 0.69974(19) 0.54263(14) 0.0662(11) Uani 1 1 d . U . . .
S18D S 0.32265(11) 0.93506(9) 0.55975(7) 0.0905(6) Uani 1 1 d D U . . .
N1E N 0.3065(3) 0.3740(3) 0.6768(2) 0.0956(19) Uani 1 1 d D U . . .
C2E C 0.2805(4) 0.3946(3) 0.6483(3) 0.109(3) Uani 1 1 d D U . . .
H2E H 0.2428 0.4039 0.6535 0.131 Uiso 1 1 calc R U . . .
C3E C 0.3068(4) 0.4028(4) 0.6115(3) 0.118(3) Uani 1 1 d D U . . .
H3E H 0.2875 0.4182 0.5918 0.141 Uiso 1 1 calc R U . . .
C4E C 0.3603(4) 0.3886(4) 0.6040(2) 0.115(3) Uani 1 1 d D U . . .
H4E H 0.3787 0.3936 0.5790 0.138 Uiso 1 1 calc R U . . .
C5E C 0.3880(4) 0.3668(4) 0.6329(2) 0.105(3) Uani 1 1 d D U . . .
H5E H 0.4255 0.3566 0.6280 0.126 Uiso 1 1 calc R U . . .
C6E C 0.3600(3) 0.3603(4) 0.6690(2) 0.093(2) Uani 1 1 d D U . . .
C7E C 0.3859(5) 0.3419(4) 0.7010(3) 0.103(3) Uani 1 1 d . U . . .
H7E H 0.4224 0.3286 0.6990 0.123 Uiso 1 1 calc R U . . .
C10E C 0.3461(4) 0.3437(3) 0.7920(3) 0.088(2) Uani 1 1 d . U . . .
C12E C 0.3628(3) 0.3303(3) 0.8283(3) 0.0808(19) Uani 1 1 d . U . . .
C13E C 0.4100(4) 0.3001(3) 0.8377(3) 0.101(3) Uani 1 1 d . U . . .
H13E H 0.4336 0.2865 0.8200 0.121 Uiso 1 1 calc R U . . .
C14E C 0.4215(3) 0.2907(4) 0.8734(3) 0.110(3) Uani 1 1 d D U . . .
C15E C 0.3883(4) 0.3080(4) 0.8998(3) 0.105(3) Uani 1 1 d . U . . .
H15E H 0.3960 0.2995 0.9241 0.126 Uiso 1 1 calc R U . . .
C16E C 0.3426(4) 0.3387(3) 0.8908(3) 0.0833(19) Uani 1 1 d . U . . .
C17E C 0.3314(3) 0.3500(3) 0.8551(2) 0.0757(17) Uani 1 1 d . U . . .
H17E H 0.3010 0.3722 0.8491 0.091 Uiso 1 1 calc R U . . .
C23E C 0.3014(4) 0.3587(4) 0.9176(3) 0.090(2) Uani 1 1 d . U . . .
C26E C 0.2747(5) 0.3692(4) 1.0074(3) 0.111(3) Uani 1 1 d . U . . .
H26E H 0.3068 0.3551 1.0168 0.133 Uiso 1 1 calc R U . . .
C27E C 0.2299(4) 0.3878(3) 1.0296(2) 0.115(3) Uani 1 1 d D U . . .
C28E C 0.2286(5) 0.3838(5) 1.0665(3) 0.138(5) Uani 1 1 d D U . . .
H28E H 0.2584 0.3684 1.0783 0.166 Uiso 1 1 calc R U . . .
C29E C 0.1830(6) 0.4028(7) 1.0856(3) 0.162(6) Uani 1 1 d D U . . .
H29E H 0.1807 0.3996 1.1111 0.195 Uiso 1 1 calc R U . . .
C30E C 0.1416(5) 0.4258(6) 1.0684(3) 0.158(5) Uani 1 1 d D U . . .
H30E H 0.1105 0.4395 1.0814 0.189 Uiso 1 1 calc R U . . .
C31E C 0.1451(5) 0.4290(5) 1.0312(3) 0.137(4) Uani 1 1 d D U . . .
H31E H 0.1161 0.4454 1.0189 0.165 Uiso 1 1 calc R U . . .
N32E N 0.1878(4) 0.4098(4) 1.0125(2) 0.114(2) Uani 1 1 d D U . . .
N8E N 0.3578(4) 0.3442(3) 0.7322(2) 0.098(2) Uani 1 1 d D U . . .
N9E N 0.3795(4) 0.3299(4) 0.7642(2) 0.106(2) Uani 1 1 d D U . . .
N24E N 0.3124(4) 0.3546(4) 0.9511(2) 0.102(2) Uani 1 1 d . U . . .
N25E N 0.2700(4) 0.3722(4) 0.9745(2) 0.103(2) Uani 1 1 d . U . . .
O11E O 0.3000(3) 0.3652(3) 0.78892(18) 0.0922(16) Uani 1 1 d . U . . .
O19E O 0.4718(4) 0.2012(4) 0.8810(5) 0.237(6) Uani 1 1 d D U . . .
O20E O 0.4784(5) 0.2454(7) 0.9234(3) 0.259(6) Uani 1 1 d D U . . .
O21E O 0.5282(3) 0.2818(4) 0.8614(3) 0.144(3) Uani 1 1 d D U . . .
O22E O 0.2574(3) 0.3775(3) 0.90940(17) 0.0897(15) Uani 1 1 d . U . . .
S18E S 0.48093(13) 0.25248(18) 0.88369(15) 0.171(2) Uani 1 1 d D U . . .
N1F N 0.1446(3) 0.3453(3) 0.96574(19) 0.097(2) Uani 1 1 d D U . . .
C2F C 0.1473(4) 0.2923(3) 0.9813(2) 0.110(3) Uani 1 1 d D U . . .
H2F H 0.1805 0.2778 0.9890 0.132 Uiso 1 1 calc R U . . .
C3F C 0.1030(4) 0.2574(3) 0.9869(3) 0.114(3) Uani 1 1 d D U . . .
H3F H 0.1064 0.2196 0.9976 0.136 Uiso 1 1 calc R U . . .
C4F C 0.0550(4) 0.2776(3) 0.9769(3) 0.112(3) Uani 1 1 d D U . . .
H4F H 0.0241 0.2543 0.9812 0.134 Uiso 1 1 calc R U . . .
C5F C 0.0516(4) 0.3327(3) 0.9604(3) 0.116(4) Uani 1 1 d D U . . .
H5F H 0.0185 0.3477 0.9530 0.139 Uiso 1 1 calc R U . . .
C6F C 0.0972(3) 0.3654(3) 0.9549(3) 0.097(3) Uani 1 1 d D U . . .
C7F C 0.0999(5) 0.4232(5) 0.9369(3) 0.118(4) Uani 1 1 d . U . . .
H7F H 0.0692 0.4420 0.9279 0.142 Uiso 1 1 calc R U . . .
C10F C 0.2057(5) 0.5161(4) 0.9144(2) 0.090(2) Uani 1 1 d . U . . .
C12F C 0.2241(4) 0.5735(3) 0.89503(16) 0.0809(19) Uani 1 1 d . U . . .
C13F C 0.1862(5) 0.6130(4) 0.8860(2) 0.093(2) Uani 1 1 d . U . . .
H13F H 0.1477 0.6041 0.8917 0.111 Uiso 1 1 calc R U . . .
C14F C 0.2049(4) 0.6669(3) 0.8682(3) 0.087(2) Uani 1 1 d D U . . .
C15F C 0.2599(4) 0.6803(3) 0.8592(2) 0.081(2) Uani 1 1 d . U . . .
H15F H 0.2719 0.7167 0.8467 0.097 Uiso 1 1 calc R U . . .
C16F C 0.2981(4) 0.6409(3) 0.8681(2) 0.0757(17) Uani 1 1 d . U . . .
C17F C 0.2799(4) 0.5873(3) 0.8858(2) 0.082(2) Uani 1 1 d . U . . .
H17F H 0.3062 0.5599 0.8916 0.098 Uiso 1 1 calc R U . . .
C23F C 0.3591(4) 0.6510(3) 0.8596(2) 0.0740(17) Uani 1 1 d . U . . .
C26F C 0.4519(4) 0.7606(4) 0.8087(2) 0.085(2) Uani 1 1 d . U . . .
H26F H 0.4277 0.7889 0.8000 0.102 Uiso 1 1 calc R U . . .
C27F C 0.5112(3) 0.7692(3) 0.79769(19) 0.096(2) Uani 1 1 d D U . . .
C28F C 0.5363(4) 0.8153(4) 0.7709(2) 0.112(3) Uani 1 1 d D U . . .
H28F H 0.5149 0.8442 0.7594 0.134 Uiso 1 1 calc R U . . .
C29F C 0.5937(4) 0.8179(5) 0.7614(3) 0.130(4) Uani 1 1 d D U . . .
H29F H 0.6121 0.8485 0.7425 0.156 Uiso 1 1 calc R U . . .
C30F C 0.6233(4) 0.7771(5) 0.7792(3) 0.139(4) Uani 1 1 d D U . . .
H30F H 0.6626 0.7787 0.7728 0.166 Uiso 1 1 calc R U . . .
C31F C 0.5956(3) 0.7328(4) 0.8068(3) 0.125(3) Uani 1 1 d D U . . .
H31F H 0.6167 0.7044 0.8194 0.150 Uiso 1 1 calc R U . . .
N32F N 0.5405(3) 0.7287(3) 0.8163(2) 0.101(2) Uani 1 1 d D U . . .
N8F N 0.1447(4) 0.4476(3) 0.9335(2) 0.106(2) Uani 1 1 d D U . . .
N9F N 0.1546(4) 0.5025(3) 0.9148(2) 0.109(3) Uani 1 1 d D U . . .
N24F N 0.3771(3) 0.7033(3) 0.83937(19) 0.0791(16) Uani 1 1 d . U . . .
H24F H 0.3536 0.7289 0.8324 0.095 Uiso 1 1 calc R U . . .
N25F N 0.4322(3) 0.7135(3) 0.83074(19) 0.0777(15) Uani 1 1 d . U . . .
O11F O 0.2409(3) 0.4834(3) 0.92923(19) 0.0980(18) Uani 1 1 d . U . . .
O19F O 0.1556(4) 0.7487(4) 0.8821(3) 0.152(3) Uani 1 1 d D U . . .
O20F O 0.1060(3) 0.6944(3) 0.8583(3) 0.118(2) Uani 1 1 d D U . . .
O21F O 0.1833(3) 0.7526(3) 0.8175(2) 0.128(3) Uani 1 1 d D U . . .
O22F O 0.3914(3) 0.6166(2) 0.87041(17) 0.0811(14) Uani 1 1 d . U . . .
S18F S 0.15816(12) 0.72013(11) 0.85516(11) 0.1169(10) Uani 1 1 d D U . . .
N1G N 0.4775(3) 0.6663(3) 0.9031(2) 0.105(2) Uani 1 1 d D U . . .
C2G C 0.4463(4) 0.6995(4) 0.9180(2) 0.141(5) Uani 1 1 d D U . . .
H2G H 0.4226 0.7227 0.9037 0.170 Uiso 1 1 calc R U . . .
C3G C 0.4465(5) 0.7019(5) 0.9535(3) 0.147(5) Uani 1 1 d D U . . .
H3G H 0.4235 0.7261 0.9635 0.177 Uiso 1 1 calc R U . . .
C4G C 0.4806(5) 0.6688(5) 0.9734(3) 0.134(4) Uani 1 1 d D U . . .
H4G H 0.4817 0.6695 0.9977 0.161 Uiso 1 1 calc R U . . .
C5G C 0.5136(5) 0.6338(5) 0.9585(2) 0.125(4) Uani 1 1 d D U . . .
H5G H 0.5375 0.6104 0.9725 0.150 Uiso 1 1 calc R U . . .
C6G C 0.5115(4) 0.6333(4) 0.9231(2) 0.100(2) Uani 1 1 d D U . . .
C7G C 0.5418(5) 0.5980(5) 0.9049(3) 0.104(3) Uani 1 1 d . U . . .
H7G H 0.5664 0.5725 0.9165 0.125 Uiso 1 1 calc R U . . .
C10G C 0.5385(3) 0.5900(3) 0.8181(2) 0.0742(17) Uani 1 1 d . U . . .
C12G C 0.5573(3) 0.5629(3) 0.7891(2) 0.0758(17) Uani 1 1 d . U . . .
C13G C 0.5873(3) 0.5162(4) 0.7940(3) 0.090(2) Uani 1 1 d . U . . .
H13G H 0.5981 0.4992 0.8172 0.108 Uiso 1 1 calc R U . . .
C14G C 0.6016(4) 0.4945(3) 0.7653(3) 0.096(2) Uani 1 1 d D U . . .
C15G C 0.5882(4) 0.5196(3) 0.7314(3) 0.083(2) Uani 1 1 d . U . . .
H15G H 0.5995 0.5048 0.7115 0.100 Uiso 1 1 calc R U . . .
C16G C 0.5581(3) 0.5665(3) 0.7258(2) 0.0701(16) Uani 1 1 d . U . . .
C17G C 0.5420(3) 0.5878(3) 0.7549(2) 0.0706(17) Uani 1 1 d . U . . .
H17G H 0.5205 0.6193 0.7515 0.085 Uiso 1 1 calc R U . . .
C23G C 0.5407(3) 0.5926(3) 0.6895(2) 0.0676(16) Uani 1 1 d . U . . .
C26G C 0.5606(3) 0.5874(3) 0.6010(2) 0.0732(17) Uani 1 1 d . U . . .
H26G H 0.5907 0.5638 0.5992 0.088 Uiso 1 1 calc R U . . .
C27G C 0.5317(3) 0.6105(2) 0.57091(18) 0.0765(18) Uani 1 1 d D U . . .
C28G C 0.5451(4) 0.6025(4) 0.5364(2) 0.107(3) Uani 1 1 d D U . . .
H28G H 0.5747 0.5801 0.5310 0.128 Uiso 1 1 calc R U . . .
C29G C 0.5142(5) 0.6281(5) 0.5098(2) 0.126(3) Uani 1 1 d D U . . .
H29G H 0.5246 0.6254 0.4853 0.151 Uiso 1 1 calc R U . . .
C30G C 0.4696(5) 0.6566(5) 0.5182(3) 0.133(4) Uani 1 1 d D U . . .
H30G H 0.4467 0.6716 0.5007 0.160 Uiso 1 1 calc R U . . .
C31G C 0.4581(4) 0.6636(4) 0.5531(2) 0.104(3) Uani 1 1 d D U . . .
H31G H 0.4268 0.6837 0.5594 0.125 Uiso 1 1 calc R U . . .
N32G N 0.4896(3) 0.6429(2) 0.57813(17) 0.0754(15) Uani 1 1 d D U . . .
N8G N 0.5341(3) 0.6024(3) 0.8724(2) 0.0885(18) Uani 1 1 d D U . . .
N9G N 0.5585(3) 0.5724(3) 0.85027(19) 0.0868(18) Uani 1 1 d D U . . .
N24G N 0.5650(3) 0.5766(3) 0.66191(19) 0.0754(15) Uani 1 1 d . U . . .
N25G N 0.5424(3) 0.6012(2) 0.63058(18) 0.0691(13) Uani 1 1 d . U . . .
O11G O 0.5017(3) 0.6235(2) 0.81185(16) 0.0830(14) Uani 1 1 d . U . . .
O19G O 0.5977(4) 0.3947(3) 0.7678(4) 0.189(5) Uani 1 1 d D U . . .
O20G O 0.6552(5) 0.4189(4) 0.8052(2) 0.190(5) Uani 1 1 d D U . . .
O21G O 0.6831(4) 0.4427(4) 0.7396(3) 0.161(4) Uani 1 1 d D U . . .
O22G O 0.5027(2) 0.6276(2) 0.68766(15) 0.0734(12) Uani 1 1 d . U . . .
S18G S 0.63645(15) 0.43199(13) 0.77090(9) 0.1248(11) Uani 1 1 d D U . . .
N1H N 0.5285(2) 0.7328(2) 0.60762(15) 0.0687(13) Uani 1 1 d D U . . .
C2H C 0.5828(3) 0.7438(4) 0.59458(18) 0.092(2) Uani 1 1 d D U . . .
H2H H 0.6076 0.7148 0.5953 0.111 Uiso 1 1 calc R U . . .
C3H C 0.6038(4) 0.7967(4) 0.5800(2) 0.116(3) Uani 1 1 d D U . . .
H3H H 0.6425 0.8035 0.5712 0.139 Uiso 1 1 calc R U . . .
C4H C 0.5691(4) 0.8380(4) 0.5786(3) 0.111(3) Uani 1 1 d D U . . .
H4H H 0.5832 0.8741 0.5684 0.134 Uiso 1 1 calc R U . . .
C5H C 0.5128(4) 0.8280(3) 0.5921(2) 0.090(2) Uani 1 1 d D U . . .
H5H H 0.4879 0.8568 0.5916 0.109 Uiso 1 1 calc R U . . .
C6H C 0.4938(3) 0.7749(2) 0.60625(19) 0.0675(15) Uani 1 1 d D U . . .
C7H C 0.4365(3) 0.7595(3) 0.6211(2) 0.0702(16) Uani 1 1 d . U . . .
H7H H 0.4088 0.7858 0.6213 0.084 Uiso 1 1 calc R U . . .
C10H C 0.3648(3) 0.6395(3) 0.66149(19) 0.0661(15) Uani 1 1 d . U . . .
C12H C 0.3079(3) 0.6176(3) 0.67983(15) 0.0676(16) Uani 1 1 d . U . . .
C13H C 0.2614(4) 0.6485(3) 0.6863(2) 0.0755(18) Uani 1 1 d . U . . .
H13H H 0.2652 0.6867 0.6782 0.091 Uiso 1 1 calc R U . . .
C14H C 0.2097(3) 0.6241(3) 0.7045(2) 0.0803(19) Uani 1 1 d D U . . .
C15H C 0.2014(4) 0.5687(4) 0.7159(2) 0.0794(19) Uani 1 1 d . U . . .
H15H H 0.1659 0.5524 0.7278 0.095 Uiso 1 1 calc R U . . .
C16H C 0.2485(3) 0.5376(3) 0.7090(2) 0.0692(16) Uani 1 1 d . U . . .
C17H C 0.2996(3) 0.5619(3) 0.6912(2) 0.0695(16) Uani 1 1 d . U . . .
H17H H 0.3301 0.5399 0.6866 0.083 Uiso 1 1 calc R U . . .
C23H C 0.2477(4) 0.4777(3) 0.7202(2) 0.0787(18) Uani 1 1 d . U . . .
C26H C 0.1644(5) 0.3628(4) 0.7582(3) 0.100(3) Uani 1 1 d . U . . .
H26H H 0.1274 0.3743 0.7627 0.120 Uiso 1 1 calc R U . . .
C27H C 0.1769(3) 0.3070(3) 0.76736(18) 0.091(2) Uani 1 1 d D U . . .
C28H C 0.1366(4) 0.2667(4) 0.7841(3) 0.120(3) Uani 1 1 d D U . . .
H28H H 0.0987 0.2751 0.7903 0.144 Uiso 1 1 calc R U . . .
C29H C 0.1529(5) 0.2139(4) 0.7914(3) 0.129(4) Uani 1 1 d D U . . .
H29H H 0.1262 0.1852 0.8025 0.155 Uiso 1 1 calc R U . . .
C30H C 0.2070(5) 0.2032(4) 0.7826(4) 0.144(5) Uani 1 1 d D U . . .
H30H H 0.2187 0.1669 0.7880 0.173 Uiso 1 1 calc R U . . .
C31H C 0.2456(4) 0.2454(3) 0.7657(4) 0.124(4) Uani 1 1 d D U . . .
H31H H 0.2836 0.2374 0.7593 0.149 Uiso 1 1 calc R U . . .
N32H N 0.2311(3) 0.2966(3) 0.7582(2) 0.0915(19) Uani 1 1 d D U . . .
N8H N 0.4242(2) 0.7091(3) 0.63389(17) 0.0692(13) Uani 1 1 d D U . . .
N9H N 0.3697(3) 0.6929(3) 0.64890(18) 0.0717(14) Uani 1 1 d D U . . .
N24H N 0.1986(4) 0.4514(3) 0.7344(2) 0.093(2) Uani 1 1 d . U . . .
N25H N 0.2051(4) 0.3970(3) 0.7438(2) 0.0894(18) Uani 1 1 d . U . . .
O11H O 0.4037(2) 0.6080(2) 0.65982(13) 0.0675(11) Uani 1 1 d . U . . .
O19H O 0.1135(3) 0.6555(5) 0.6918(3) 0.149(3) Uani 1 1 d D U . . .
O20H O 0.1693(4) 0.7174(3) 0.7025(4) 0.168(4) Uani 1 1 d D U . . .
O21H O 0.1298(4) 0.6414(4) 0.75310(18) 0.153(4) Uani 1 1 d D U . . .
O22H O 0.2919(3) 0.4545(2) 0.71676(19) 0.0919(16) Uani 1 1 d . U . . .
S18H S 0.15092(11) 0.66260(11) 0.71425(7) 0.0977(7) Uani 1 1 d D U . . .
N1I N 0.3596(3) 0.8058(4) 0.3768(2) 0.132(3) Uani 1 1 d D U . . .
C2I C 0.3874(4) 0.8279(4) 0.3949(3) 0.140(4) Uani 1 1 d D U . . .
H2I H 0.3869 0.8659 0.3900 0.168 Uiso 1 1 calc R U . . .
C3I C 0.4173(5) 0.7970(5) 0.4208(3) 0.163(5) Uani 1 1 d D U . . .
H3I H 0.4361 0.8136 0.4338 0.195 Uiso 1 1 calc R U . . .
C4I C 0.4194(6) 0.7431(5) 0.4271(4) 0.165(5) Uani 1 1 d D U . . .
H4I H 0.4415 0.7217 0.4435 0.198 Uiso 1 1 calc R U . . .
C5I C 0.3891(6) 0.7192(5) 0.4097(4) 0.162(5) Uani 1 1 d D U . . .
H5I H 0.3883 0.6811 0.4150 0.195 Uiso 1 1 calc R U . . .
C6I C 0.3601(4) 0.7518(4) 0.3844(3) 0.129(3) Uani 1 1 d D U . . .
C7I C 0.3284(5) 0.7300(7) 0.3638(3) 0.133(4) Uani 1 1 d . U . . .
H7I H 0.3278 0.6925 0.3668 0.159 Uiso 1 1 calc R U . . .
C10I C 0.2449(5) 0.7823(6) 0.2988(3) 0.112(3) Uani 1 1 d . U . . .
C12I C 0.2043(4) 0.7648(5) 0.2813(3) 0.108(3) Uani 1 1 d . U . . .
C13I C 0.1827(5) 0.7135(6) 0.2931(3) 0.123(3) Uani 1 1 d . U . . .
H13I H 0.1937 0.6870 0.3136 0.147 Uiso 1 1 calc R U . . .
C14I C 0.1441(5) 0.7003(4) 0.2750(4) 0.136(4) Uani 1 1 d D U . . .
C15I C 0.1266(5) 0.7380(5) 0.2467(4) 0.120(3) Uani 1 1 d . U . . .
H15I H 0.0985 0.7285 0.2361 0.143 Uiso 1 1 calc R U . . .
C16I C 0.1489(4) 0.7907(5) 0.2327(3) 0.099(2) Uani 1 1 d . U . . .
C17I C 0.1879(4) 0.8037(5) 0.2502(3) 0.099(2) Uani 1 1 d . U . . .
H17I H 0.2038 0.8391 0.2414 0.118 Uiso 1 1 calc R U . . .
C23I C 0.1304(4) 0.8291(4) 0.2000(3) 0.093(2) Uani 1 1 d . U . . .
C26I C 0.0957(4) 0.9209(5) 0.1442(3) 0.105(3) Uani 1 1 d . U . . .
H26I H 0.0829 0.8863 0.1458 0.126 Uiso 1 1 calc R U . . .
C27I C 0.0831(3) 0.9701(3) 0.1150(2) 0.100(2) Uani 1 1 d D U . . .
C28I C 0.0510(4) 0.9679(4) 0.0900(2) 0.104(3) Uani 1 1 d D U . . .
H28I H 0.0363 0.9345 0.0906 0.125 Uiso 1 1 calc R U . . .
C29I C 0.0410(4) 1.0154(4) 0.0642(2) 0.106(3) Uani 1 1 d D U . . .
H29I H 0.0186 1.0151 0.0469 0.127 Uiso 1 1 calc R U . . .
C30I C 0.0628(4) 1.0624(4) 0.0635(2) 0.100(3) Uani 1 1 d D U . . .
H30I H 0.0565 1.0952 0.0454 0.120 Uiso 1 1 calc R U . . .
C31I C 0.0945(5) 1.0624(3) 0.0895(3) 0.116(3) Uani 1 1 d D U . . .
H31I H 0.1085 1.0958 0.0894 0.139 Uiso 1 1 calc R U . . .
N32I N 0.1061(4) 1.0169(3) 0.1146(3) 0.111(3) Uani 1 1 d D U . . .
N8I N 0.3017(4) 0.7628(4) 0.3418(3) 0.123(3) Uani 1 1 d D U . . .
N9I N 0.2685(4) 0.7442(4) 0.3228(3) 0.125(3) Uani 1 1 d D U . . .
N24I N 0.1350(3) 0.8811(4) 0.1957(2) 0.096(2) Uani 1 1 d . U . . .
H24I H 0.1471 0.8893 0.2133 0.115 Uiso 1 1 calc R U . . .
N25I N 0.1226(3) 0.9259(4) 0.1659(2) 0.096(2) Uani 1 1 d . U . . .
O11I O 0.2532(4) 0.8317(4) 0.2929(2) 0.118(2) Uani 1 1 d . U . . .
O19I O 0.0969(8) 0.6243(6) 0.2617(4) 0.258(7) Uani 1 1 d D U . . .
O20I O 0.0725(7) 0.6308(7) 0.3227(5) 0.309(9) Uani 1 1 d D U . . .
O21I O 0.1598(6) 0.5992(6) 0.3025(6) 0.299(9) Uani 1 1 d D U . . .
O22I O 0.1151(4) 0.8115(3) 0.1777(2) 0.114(2) Uani 1 1 d . U . . .
S18I S 0.1168(3) 0.6333(2) 0.2914(2) 0.200(3) Uani 1 1 d D U . . .
N1J N 0.2245(3) 1.0347(4) 0.1274(3) 0.122(3) Uani 1 1 d D U . . .
C2J C 0.2589(4) 1.0253(4) 0.0987(3) 0.125(3) Uani 1 1 d D U . . .
H2J H 0.2488 0.9987 0.0889 0.149 Uiso 1 1 calc R U . . .
C3J C 0.3094(4) 1.0533(5) 0.0827(3) 0.138(4) Uani 1 1 d D U . . .
H3J H 0.3332 1.0460 0.0622 0.165 Uiso 1 1 calc R U . . .
C4J C 0.3241(4) 1.0909(5) 0.0966(3) 0.133(4) Uani 1 1 d D U . . .
H4J H 0.3585 1.1103 0.0861 0.160 Uiso 1 1 calc R U . . .
C5J C 0.2890(4) 1.1011(4) 0.1262(3) 0.130(4) Uani 1 1 d D U . . .
H5J H 0.2987 1.1275 0.1363 0.156 Uiso 1 1 calc R U . . .
C6J C 0.2396(4) 1.0726(4) 0.1410(3) 0.117(3) Uani 1 1 d D U . . .
C7J C 0.2042(5) 1.0836(5) 0.1717(4) 0.119(3) Uani 1 1 d . U . . .
H7J H 0.2135 1.1102 0.1817 0.142 Uiso 1 1 calc R U . . .
C10J C 0.1162(5) 1.1023(4) 0.2306(3) 0.104(2) Uani 1 1 d . U . . .
C12J C 0.0685(4) 1.1036(3) 0.2604(3) 0.096(2) Uani 1 1 d . U . . .
C13J C 0.0714(5) 1.1336(3) 0.2848(3) 0.098(2) Uani 1 1 d . U . . .
H13J H 0.1046 1.1531 0.2820 0.118 Uiso 1 1 calc R U . . .
C14J C 0.0273(5) 1.1349(4) 0.3124(3) 0.105(3) Uani 1 1 d D U . . .
C15J C -0.0209(5) 1.1082(4) 0.3171(3) 0.095(2) Uani 1 1 d . U . . .
H15J H -0.0514 1.1104 0.3361 0.114 Uiso 1 1 calc R U . . .
C16J C -0.0253(4) 1.0777(3) 0.2941(3) 0.087(2) Uani 1 1 d . U . . .
C17J C 0.0187(4) 1.0750(3) 0.2671(3) 0.085(2) Uani 1 1 d . U . . .
H17J H 0.0155 1.0528 0.2522 0.101 Uiso 1 1 calc R U . . .
C23J C -0.0767(4) 1.0464(4) 0.2969(3) 0.085(2) Uani 1 1 d . U . . .
C26J C -0.2162(4) 1.0257(4) 0.3414(2) 0.088(2) Uani 1 1 d . U . . .
H26J H -0.2203 1.0453 0.3588 0.106 Uiso 1 1 calc R U . . .
C27J C -0.2627(3) 0.9985(2) 0.33762(15) 0.0796(18) Uani 1 1 d D U . . .
C28J C -0.3158(3) 1.0015(3) 0.3568(2) 0.091(2) Uani 1 1 d D U . . .
H28J H -0.3229 1.0216 0.3739 0.109 Uiso 1 1 calc R U . . .
C29J C -0.3585(3) 0.9751(4) 0.3508(2) 0.096(2) Uani 1 1 d D U . . .
H29J H -0.3955 0.9776 0.3631 0.115 Uiso 1 1 calc R U . . .
C30J C -0.3470(3) 0.9455(4) 0.3270(3) 0.102(3) Uani 1 1 d D U . . .
H30J H -0.3758 0.9263 0.3229 0.122 Uiso 1 1 calc R U . . .
C31J C -0.2927(3) 0.9436(4) 0.3086(3) 0.092(2) Uani 1 1 d D U . . .
H31J H -0.2852 0.9235 0.2916 0.110 Uiso 1 1 calc R U . . .
N32J N -0.2508(3) 0.9688(3) 0.31390(17) 0.0825(17) Uani 1 1 d D U . . .
N8J N 0.1573(4) 1.0548(4) 0.1855(3) 0.108(2) Uani 1 1 d D U . . .
N9J N 0.1204(4) 1.0627(4) 0.2162(3) 0.105(2) Uani 1 1 d D U . . .
H9J H 0.0957 1.0364 0.2279 0.125 Uiso 1 1 calc R U . . .
N24J N -0.1233(4) 1.0515(4) 0.3205(2) 0.095(2) Uani 1 1 d . U . . .
N25J N -0.1682(3) 1.0230(3) 0.3205(2) 0.0827(17) Uani 1 1 d . U . . .
O11J O 0.1467(4) 1.1440(4) 0.2166(3) 0.151(4) Uani 1 1 d . U . . .
O19J O 0.0328(7) 1.2294(3) 0.3192(3) 0.206(6) Uani 1 1 d D U . . .
O20J O 0.0825(5) 1.1566(6) 0.3542(4) 0.223(6) Uani 1 1 d D U . . .
O21J O -0.0140(5) 1.1603(5) 0.3719(3) 0.202(5) Uani 1 1 d D U . . .
O22J O -0.0750(3) 1.0169(3) 0.27705(19) 0.0893(16) Uani 1 1 d . U . . .
S18J S 0.03305(19) 1.17454(14) 0.34162(11) 0.1336(12) Uani 1 1 d D U . . .
N1K N -0.1719(3) 1.0303(2) 0.23726(16) 0.0757(15) Uani 1 1 d D U . . .
C2K C -0.1748(3) 1.0837(3) 0.2267(2) 0.089(2) Uani 1 1 d D U . . .
H2K H -0.1702 1.1020 0.2438 0.107 Uiso 1 1 calc R U . . .
C3K C -0.1843(4) 1.1140(3) 0.1918(2) 0.092(2) Uani 1 1 d D U . . .
H3K H -0.1856 1.1523 0.1850 0.111 Uiso 1 1 calc R U . . .
C4K C -0.1918(4) 1.0878(3) 0.1678(2) 0.093(2) Uani 1 1 d D U . . .
H4K H -0.1990 1.1076 0.1440 0.112 Uiso 1 1 calc R U . . .
C5K C -0.1887(4) 1.0323(3) 0.17799(19) 0.089(2) Uani 1 1 d D U . . .
H5K H -0.1926 1.0136 0.1610 0.107 Uiso 1 1 calc R U . . .
C6K C -0.1799(3) 1.0044(3) 0.21322(17) 0.0738(18) Uani 1 1 d D U . . .
C7K C -0.1720(4) 0.9466(4) 0.2265(2) 0.0771(19) Uani 1 1 d . U . . .
H7K H -0.1757 0.9241 0.2119 0.093 Uiso 1 1 calc R U . . .
C10K C -0.1354(3) 0.8691(3) 0.3071(2) 0.0740(17) Uani 1 1 d . U . . .
C12K C -0.1162(2) 0.8161(3) 0.3267(2) 0.0762(18) Uani 1 1 d . U . . .
C13K C -0.1197(3) 0.7710(4) 0.3144(2) 0.081(2) Uani 1 1 d . U . . .
H13K H -0.1349 0.7742 0.2931 0.097 Uiso 1 1 calc R U . . .
C14K C -0.1006(4) 0.7215(3) 0.3342(3) 0.089(2) Uani 1 1 d D U . . .
C15K C -0.0783(4) 0.7157(4) 0.3655(3) 0.088(2) Uani 1 1 d . U . . .
H15K H -0.0655 0.6817 0.3785 0.105 Uiso 1 1 calc R U . . .
C16K C -0.0749(4) 0.7609(3) 0.3777(2) 0.0795(19) Uani 1 1 d . U . . .
C17K C -0.0948(4) 0.8094(4) 0.3588(2) 0.0790(19) Uani 1 1 d . U . . .
H17K H -0.0940 0.8393 0.3677 0.095 Uiso 1 1 calc R U . . .
C23K C -0.0508(4) 0.7574(4) 0.4102(3) 0.084(2) Uani 1 1 d . U . . .
C26K C 0.0017(5) 0.6746(5) 0.4846(3) 0.125(4) Uani 1 1 d . U . . .
H26K H 0.0017 0.6390 0.4831 0.150 Uiso 1 1 calc R U . . .
C27K C 0.0207(3) 0.6865(4) 0.5140(2) 0.123(3) Uani 1 1 d D U . . .
C28K C 0.0411(6) 0.6495(4) 0.5423(3) 0.161(5) Uani 1 1 d D U . . .
H28K H 0.0432 0.6126 0.5436 0.193 Uiso 1 1 calc R U . . .
C29K C 0.0586(6) 0.6668(6) 0.5689(3) 0.153(5) Uani 1 1 d D U . . .
H29K H 0.0732 0.6420 0.5885 0.183 Uiso 1 1 calc R U . . .
C30K C 0.0545(5) 0.7196(6) 0.5665(3) 0.157(5) Uani 1 1 d D U . . .
H30K H 0.0654 0.7322 0.5847 0.188 Uiso 1 1 calc R U . . .
C31K C 0.0341(5) 0.7552(5) 0.5370(3) 0.138(4) Uani 1 1 d D U . . .
H31K H 0.0332 0.7925 0.5349 0.165 Uiso 1 1 calc R U . . .
N32K N 0.0160(4) 0.7393(4) 0.5119(2) 0.117(3) Uani 1 1 d D U . . .
N8K N -0.1599(3) 0.9279(3) 0.25818(18) 0.0737(15) Uani 1 1 d D U . . .
N9K N -0.1493(3) 0.8747(3) 0.27425(19) 0.0782(16) Uani 1 1 d D U . . .
N24K N -0.0351(4) 0.7098(4) 0.4301(3) 0.104(2) Uani 1 1 d . U . . .
N25K N -0.0156(4) 0.7150(4) 0.4600(2) 0.101(2) Uani 1 1 d . U . . .
O11K O -0.1346(2) 0.9076(2) 0.32119(16) 0.0792(13) Uani 1 1 d . U . . .
O19K O -0.1631(3) 0.6634(4) 0.3155(3) 0.131(3) Uani 1 1 d D U . . .
O20K O -0.0891(5) 0.6196(3) 0.3449(3) 0.151(3) Uani 1 1 d D U . . .
O21K O -0.0701(4) 0.6786(3) 0.2816(2) 0.124(2) Uani 1 1 d D U . . .
O22K O -0.0466(3) 0.8012(3) 0.41868(18) 0.0915(16) Uani 1 1 d . U . . .
S18K S -0.10666(15) 0.66572(11) 0.31789(9) 0.1123(9) Uani 1 1 d D U . . .
N1L N -0.1057(3) 0.7830(4) 0.4998(2) 0.115(2) Uani 1 1 d D U . . .
C2L C -0.1462(4) 0.7453(4) 0.5130(3) 0.140(4) Uani 1 1 d D U . . .
H2L H -0.1373 0.7093 0.5136 0.168 Uiso 1 1 calc R U . . .
C3L C -0.2006(4) 0.7564(5) 0.5259(3) 0.151(5) Uani 1 1 d D U . . .
H3L H -0.2282 0.7284 0.5350 0.181 Uiso 1 1 calc R U . . .
C4L C -0.2143(4) 0.8072(5) 0.5255(3) 0.143(4) Uani 1 1 d D U . . .
H4L H -0.2512 0.8150 0.5352 0.172 Uiso 1 1 calc R U . . .
C5L C -0.1737(4) 0.8475(4) 0.5107(3) 0.130(4) Uani 1 1 d D U . . .
H5L H -0.1827 0.8839 0.5086 0.156 Uiso 1 1 calc R U . . .
C6L C -0.1198(3) 0.8338(4) 0.4992(3) 0.107(3) Uani 1 1 d D U . . .
C7L C -0.0733(5) 0.8717(5) 0.4856(3) 0.101(3) Uani 1 1 d . U . . .
H7L H -0.0785 0.9080 0.4855 0.121 Uiso 1 1 calc R U . . .
C10L C 0.0653(4) 0.8728(4) 0.4479(2) 0.089(2) Uani 1 1 d . U . . .
C12L C 0.1155(4) 0.9091(3) 0.4340(2) 0.088(2) Uani 1 1 d . U . . .
C13L C 0.1199(4) 0.9559(4) 0.4434(3) 0.096(2) Uani 1 1 d . U . . .
H13L H 0.0907 0.9663 0.4599 0.115 Uiso 1 1 calc R U . . .
C14L C 0.1688(4) 0.9869(3) 0.4279(3) 0.102(2) Uani 1 1 d D U . . .
C15L C 0.2124(5) 0.9723(4) 0.4046(3) 0.103(2) Uani 1 1 d . U . . .
H15L H 0.2451 0.9944 0.3942 0.124 Uiso 1 1 calc R U . . .
C16L C 0.2076(4) 0.9244(4) 0.3965(3) 0.092(2) Uani 1 1 d . U . . .
C17L C 0.1599(4) 0.8930(4) 0.4118(3) 0.086(2) Uani 1 1 d . U . . .
H17L H 0.1574 0.8598 0.4070 0.103 Uiso 1 1 calc R U . . .
C23L C 0.2513(4) 0.9067(5) 0.3701(3) 0.100(2) Uani 1 1 d . U . . .
C26L C 0.3686(6) 0.9380(8) 0.3014(4) 0.158(4) Uani 1 1 d . U . . .
H26L H 0.3828 0.9728 0.2985 0.189 Uiso 1 1 calc R U . . .
C27L C 0.3953(5) 0.9067(6) 0.2785(3) 0.163(4) Uani 1 1 d D U . . .
C28L C 0.4394(6) 0.9271(6) 0.2492(4) 0.211(7) Uani 1 1 d D U . . .
H28L H 0.4535 0.9628 0.2433 0.253 Uiso 1 1 calc R U . . .
C29L C 0.4624(7) 0.8938(8) 0.2288(5) 0.266(11) Uani 1 1 d D U . . .
H29L H 0.4936 0.9062 0.2091 0.320 Uiso 1 1 calc R U . . .
C30L C 0.4409(8) 0.8435(8) 0.2364(5) 0.267(11) Uani 1 1 d D U . . .
H30L H 0.4556 0.8213 0.2215 0.321 Uiso 1 1 calc R U . . .
C31L C 0.3970(7) 0.8252(6) 0.2665(5) 0.199(6) Uani 1 1 d D U . . .
H31L H 0.3822 0.7897 0.2724 0.239 Uiso 1 1 calc R U . . .
N32L N 0.3751(4) 0.8558(6) 0.2874(3) 0.164(4) Uani 1 1 d D U . . .
N8L N -0.0265(3) 0.8568(3) 0.4740(2) 0.0956(19) Uani 1 1 d D U . . .
N9L N 0.0182(3) 0.8934(3) 0.4620(2) 0.0928(19) Uani 1 1 d D U . . .
N24L N 0.2934(4) 0.9408(5) 0.3489(3) 0.123(3) Uani 1 1 d . U . . .
N25L N 0.3261(4) 0.9182(5) 0.3254(3) 0.127(3) Uani 1 1 d . U . . .
O11L O 0.0673(3) 0.8270(3) 0.4439(2) 0.1013(18) Uani 1 1 d . U . . .
O19L O 0.2082(4) 1.0283(3) 0.4699(2) 0.133(3) Uani 1 1 d D U . . .
O20L O 0.1203(3) 1.0613(4) 0.4538(3) 0.143(3) Uani 1 1 d D U . . .
O21L O 0.2056(4) 1.0845(3) 0.4084(2) 0.137(3) Uani 1 1 d D U . . .
O22L O 0.2469(3) 0.8588(3) 0.3688(2) 0.1039(18) Uani 1 1 d . U . . .
S18L S 0.17580(15) 1.04500(12) 0.44126(10) 0.1208(10) Uani 1 1 d D U . . .
N1M N 0.3067(3) 0.7765(3) 0.1612(2) 0.104(2) Uani 1 1 d D U . . .
C2M C 0.3427(4) 0.7616(4) 0.1840(3) 0.125(3) Uani 1 1 d D U . . .
H2M H 0.3758 0.7825 0.1784 0.150 Uiso 1 1 calc R U . . .
C3M C 0.3330(5) 0.7162(4) 0.2157(3) 0.155(5) Uani 1 1 d D U . . .
H3M H 0.3596 0.7059 0.2312 0.186 Uiso 1 1 calc R U . . .
C4M C 0.2856(5) 0.6871(4) 0.2240(3) 0.151(4) Uani 1 1 d D U . . .
H4M H 0.2775 0.6574 0.2462 0.181 Uiso 1 1 calc R U . . .
C5M C 0.2485(4) 0.7005(4) 0.1999(3) 0.131(4) Uani 1 1 d D U . . .
H5M H 0.2158 0.6792 0.2047 0.157 Uiso 1 1 calc R U . . .
C6M C 0.2603(4) 0.7457(3) 0.1688(3) 0.105(3) Uani 1 1 d D U . . .
C7M C 0.2211(5) 0.7660(4) 0.1446(3) 0.101(3) Uani 1 1 d . U . . .
H7M H 0.1878 0.7466 0.1475 0.121 Uiso 1 1 calc R U . . .
C10M C 0.2106(4) 0.8820(4) 0.0709(3) 0.087(2) Uani 1 1 d . U . . .
C12M C 0.1708(3) 0.9077(3) 0.0463(2) 0.0779(19) Uani 1 1 d . U . . .
C13M C 0.1222(3) 0.8827(3) 0.0454(2) 0.0768(19) Uani 1 1 d . U . . .
H13M H 0.1121 0.8469 0.0612 0.092 Uiso 1 1 calc R U . . .
C14M C 0.0887(3) 0.9112(3) 0.0209(2) 0.0735(17) Uani 1 1 d D U . . .
C15M C 0.1031(3) 0.9630(3) -0.0023(2) 0.0718(18) Uani 1 1 d . U . . .
H15M H 0.0804 0.9815 -0.0193 0.086 Uiso 1 1 calc R U . . .
C16M C 0.1507(3) 0.9881(3) -0.0007(2) 0.0714(17) Uani 1 1 d . U . . .
C17M C 0.1844(3) 0.9599(3) 0.0233(2) 0.0750(18) Uani 1 1 d . U . . .
H17M H 0.2174 0.9768 0.0239 0.090 Uiso 1 1 calc R U . . .
C23M C 0.1698(3) 1.0442(3) -0.0234(2) 0.0728(17) Uani 1 1 d . U . . .
C26M C 0.1161(3) 1.1599(3) -0.07774(19) 0.0694(16) Uani 1 1 d . U . . .
H26M H 0.0807 1.1470 -0.0780 0.083 Uiso 1 1 calc R U . . .
C27M C 0.1345(2) 1.2164(3) -0.09754(16) 0.0769(18) Uani 1 1 d D U . . .
C28M C 0.1006(3) 1.2535(3) -0.1160(2) 0.092(2) Uani 1 1 d D U . . .
H28M H 0.0645 1.2432 -0.1170 0.110 Uiso 1 1 calc R U . . .
C29M C 0.1200(4) 1.3062(3) -0.1332(3) 0.118(4) Uani 1 1 d D U . . .
H29M H 0.0971 1.3330 -0.1454 0.142 Uiso 1 1 calc R U . . .
C30M C 0.1720(4) 1.3190(4) -0.1322(4) 0.131(4) Uani 1 1 d D U . . .
H30M H 0.1864 1.3547 -0.1446 0.157 Uiso 1 1 calc R U . . .
C31M C 0.2042(4) 1.2796(3) -0.1131(3) 0.122(4) Uani 1 1 d D U . . .
H31M H 0.2403 1.2896 -0.1120 0.147 Uiso 1 1 calc R U . . .
N32M N 0.1868(3) 1.2285(3) -0.0963(2) 0.0891(19) Uani 1 1 d D U . . .
N8M N 0.2333(3) 0.8109(3) 0.1192(2) 0.0876(18) Uani 1 1 d D U . . .
N9M N 0.1962(3) 0.8316(3) 0.0962(2) 0.093(2) Uani 1 1 d D U . . .
N24M N 0.1329(2) 1.0764(3) -0.03974(17) 0.0688(14) Uani 1 1 d . U . . .
H24M H 0.0990 1.0649 -0.0376 0.083 Uiso 1 1 calc R U . . .
N25M N 0.1501(3) 1.1287(3) -0.06007(18) 0.0727(15) Uani 1 1 d . U . . .
O11M O 0.2543(3) 0.9049(3) 0.0693(2) 0.0944(18) Uani 1 1 d . U . . .
O19M O -0.0150(2) 0.9217(2) 0.01998(17) 0.0872(15) Uani 1 1 d D U . . .
O20M O 0.0151(3) 0.8343(2) 0.05386(18) 0.0947(18) Uani 1 1 d D U . . .
O21M O 0.0361(3) 0.8639(4) -0.0124(2) 0.122(3) Uani 1 1 d D U . . .
O22M O 0.2173(2) 1.0605(3) -0.02621(19) 0.0916(17) Uani 1 1 d . U . . .
S18M S 0.02577(9) 0.88024(9) 0.02078(6) 0.0822(5) Uani 1 1 d D U . . .
N1N N 0.2705(3) 1.1378(3) -0.10716(19) 0.094(2) Uani 1 1 d D U . . .
C2N C 0.2532(3) 1.1178(4) -0.1308(2) 0.110(3) Uani 1 1 d D U . . .
H2N H 0.2149 1.1091 -0.1267 0.132 Uiso 1 1 calc R U . . .
C3N C 0.2890(4) 1.1092(5) -0.1614(3) 0.139(5) Uani 1 1 d D U . . .
H3N H 0.2755 1.0943 -0.1776 0.167 Uiso 1 1 calc R U . . .
C4N C 0.3433(4) 1.1224(7) -0.1673(3) 0.154(6) Uani 1 1 d D U . . .
H4N H 0.3685 1.1168 -0.1879 0.185 Uiso 1 1 calc R U . . .
C5N C 0.3623(4) 1.1439(6) -0.1434(3) 0.136(5) Uani 1 1 d D U . . .
H5N H 0.4003 1.1542 -0.1477 0.163 Uiso 1 1 calc R U . . .
C6N C 0.3251(3) 1.1503(5) -0.1130(3) 0.109(3) Uani 1 1 d D U . . .
C7N C 0.3407(4) 1.1693(5) -0.0852(3) 0.103(3) Uani 1 1 d . U . . .
H7N H 0.3780 1.1784 -0.0860 0.124 Uiso 1 1 calc R U . . .
C10N C 0.2594(3) 1.1871(3) -0.0078(2) 0.0784(19) Uani 1 1 d . U . . .
C12N C 0.2574(3) 1.2045(2) 0.0256(2) 0.0770(19) Uani 1 1 d . U . . .
C13N C 0.3049(4) 1.2235(3) 0.0330(2) 0.086(2) Uani 1 1 d . U . . .
H13N H 0.3396 1.2257 0.0164 0.103 Uiso 1 1 calc R U . . .
C14N C 0.3010(3) 1.2389(4) 0.0644(2) 0.089(2) Uani 1 1 d D U . . .
C15N C 0.2506(4) 1.2362(4) 0.0887(2) 0.085(2) Uani 1 1 d . U . . .
H15N H 0.2483 1.2475 0.1101 0.103 Uiso 1 1 calc R U . . .
C16N C 0.2027(4) 1.2168(4) 0.0816(2) 0.0791(19) Uani 1 1 d . U . . .
C17N C 0.2075(3) 1.2010(3) 0.0509(2) 0.0780(19) Uani 1 1 d . U . . .
H17N H 0.1756 1.1870 0.0464 0.094 Uiso 1 1 calc R U . . .
C23N C 0.1470(4) 1.2148(4) 0.1051(3) 0.089(2) Uani 1 1 d . U . . .
C26N C 0.0761(4) 1.2386(3) 0.1857(3) 0.089(2) Uani 1 1 d . U . . .
H26N H 0.1039 1.2509 0.1953 0.107 Uiso 1 1 calc R U . . .
C27N C 0.0194(3) 1.2316(2) 0.20547(18) 0.0793(18) Uani 1 1 d D U . . .
C28N C 0.0012(4) 1.2409(3) 0.2392(2) 0.091(2) Uani 1 1 d D U . . .
H28N H 0.0263 1.2535 0.2507 0.110 Uiso 1 1 calc R U . . .
C29N C -0.0538(4) 1.2318(4) 0.2560(2) 0.108(3) Uani 1 1 d D U . . .
H29N H -0.0670 1.2371 0.2796 0.129 Uiso 1 1 calc R U . . .
C30N C -0.0891(4) 1.2152(4) 0.2388(3) 0.111(3) Uani 1 1 d D U . . .
H30N H -0.1274 1.2096 0.2498 0.133 Uiso 1 1 calc R U . . .
C31N C -0.0685(3) 1.2066(4) 0.2048(2) 0.096(2) Uani 1 1 d D U . . .
H31N H -0.0931 1.1936 0.1933 0.115 Uiso 1 1 calc R U . . .
N32N N -0.0156(3) 1.2158(3) 0.18784(18) 0.0812(16) Uani 1 1 d D U . . .
N8N N 0.3008(3) 1.1732(3) -0.0593(2) 0.0884(19) Uani 1 1 d D U . . .
N9N N 0.3080(3) 1.1890(3) -0.0294(2) 0.0882(19) Uani 1 1 d D U . . .
N24N N 0.1420(4) 1.2297(4) 0.1359(2) 0.097(2) Uani 1 1 d . U . . .
N25N N 0.0880(3) 1.2278(3) 0.1550(2) 0.0875(18) Uani 1 1 d . U . . .
O11N O 0.2138(2) 1.1740(2) -0.01439(16) 0.0817(14) Uani 1 1 d . U . . .
O19N O 0.3496(3) 1.3205(3) 0.0709(3) 0.129(3) Uani 1 1 d D U . . .
O20N O 0.4057(3) 1.2599(4) 0.0454(2) 0.131(3) Uani 1 1 d D U . . .
O21N O 0.3651(4) 1.2323(4) 0.1106(2) 0.150(4) Uani 1 1 d D U . . .
O22N O 0.1068(3) 1.1996(3) 0.09564(19) 0.0932(16) Uani 1 1 d . U . . .
S18N S 0.36012(10) 1.26501(13) 0.07421(7) 0.1006(7) Uani 1 1 d D U . . .
N1O N 0.0096(3) 1.2822(3) 0.0983(2) 0.098(2) Uani 1 1 d D U . . .
C2O C 0.0247(4) 1.3312(4) 0.0964(3) 0.125(4) Uani 1 1 d D U . . .
H2O H 0.0485 1.3346 0.1121 0.150 Uiso 1 1 calc R U . . .
C3O C 0.0076(5) 1.3780(4) 0.0723(4) 0.149(5) Uani 1 1 d D U . . .
H3O H 0.0185 1.4127 0.0720 0.179 Uiso 1 1 calc R U . . .
C4O C -0.0252(6) 1.3725(4) 0.0493(4) 0.148(5) Uani 1 1 d D U . . .
H4O H -0.0370 1.4036 0.0322 0.177 Uiso 1 1 calc R U . . .
C5O C -0.0415(6) 1.3218(3) 0.0506(3) 0.133(5) Uani 1 1 d D U . . .
H5O H -0.0645 1.3177 0.0346 0.160 Uiso 1 1 calc R U . . .
C6O C -0.0237(4) 1.2770(3) 0.0757(2) 0.096(2) Uani 1 1 d D U . . .
C7O C -0.0413(4) 1.2224(4) 0.0817(3) 0.097(3) Uani 1 1 d . U . . .
H7O H -0.0641 1.2136 0.0671 0.116 Uiso 1 1 calc R U . . .
C10O C -0.0147(3) 1.1027(3) 0.1447(2) 0.0749(18) Uani 1 1 d . U . . .
C12O C -0.0251(2) 1.0443(3) 0.15739(18) 0.0655(15) Uani 1 1 d . U . . .
C13O C -0.0535(3) 1.0163(3) 0.1408(2) 0.0672(16) Uani 1 1 d . U . . .
H13O H -0.0682 1.0352 0.1195 0.081 Uiso 1 1 calc R U . . .
C14O C -0.0601(3) 0.9608(3) 0.1557(2) 0.0688(16) Uani 1 1 d D U . . .
C15O C -0.0395(3) 0.9324(3) 0.1868(2) 0.0705(17) Uani 1 1 d . U . . .
H15O H -0.0452 0.8944 0.1970 0.085 Uiso 1 1 calc R U . . .
C16O C -0.0106(3) 0.9598(3) 0.2033(2) 0.0672(16) Uani 1 1 d . U . . .
C17O C -0.0045(3) 1.0146(3) 0.1884(2) 0.0696(17) Uani 1 1 d . U . . .
H17O H 0.0149 1.0334 0.1998 0.084 Uiso 1 1 calc R U . . .
C23O C 0.0152(3) 0.9328(3) 0.2365(2) 0.0722(18) Uani 1 1 d . U . . .
C26O C 0.0321(3) 0.8123(4) 0.3012(3) 0.083(2) Uani 1 1 d . U . . .
H26O H 0.0072 0.7867 0.2996 0.099 Uiso 1 1 calc R U . . .
C27O C 0.0695(2) 0.7981(2) 0.32698(17) 0.0763(18) Uani 1 1 d D U . . .
C28O C 0.0729(3) 0.7467(3) 0.3512(2) 0.089(2) Uani 1 1 d D U . . .
H28O H 0.0496 0.7181 0.3520 0.107 Uiso 1 1 calc R U . . .
C29O C 0.1107(4) 0.7379(3) 0.3742(3) 0.096(3) Uani 1 1 d D U . . .
H29O H 0.1140 0.7029 0.3909 0.115 Uiso 1 1 calc R U . . .
C30O C 0.1433(4) 0.7794(3) 0.3729(3) 0.097(3) Uani 1 1 d D U . . .
H30O H 0.1692 0.7738 0.3888 0.116 Uiso 1 1 calc R U . . .
C31O C 0.1383(3) 0.8305(3) 0.3477(2) 0.085(2) Uani 1 1 d D U . . .
H31O H 0.1622 0.8592 0.3460 0.102 Uiso 1 1 calc R U . . .
N32O N 0.1011(3) 0.8398(2) 0.32631(19) 0.0774(16) Uani 1 1 d D U . . .
N8O N -0.0241(3) 1.1864(3) 0.1082(2) 0.0848(17) Uani 1 1 d D U . . .
N9O N -0.0396(3) 1.1326(3) 0.11721(19) 0.0820(17) Uani 1 1 d D U . . .
N24O N 0.0041(3) 0.8797(3) 0.2529(2) 0.0780(17) Uani 1 1 d . U . . .
N25O N 0.0348(3) 0.8622(3) 0.2806(2) 0.0781(16) Uani 1 1 d . U . . .
O11O O 0.0191(3) 1.1220(2) 0.15827(16) 0.0792(14) Uani 1 1 d . U . . .
O19O O -0.1496(2) 0.9158(4) 0.1536(2) 0.115(2) Uani 1 1 d D U . . .
O20O O -0.0643(3) 0.8750(3) 0.1362(2) 0.109(2) Uani 1 1 d D U . . .
O21O O -0.0881(3) 0.9580(3) 0.09528(16) 0.112(2) Uani 1 1 d D U . . .
O22O O 0.0478(2) 0.9606(2) 0.24525(17) 0.0780(14) Uani 1 1 d . U . . .
S18O S -0.09335(9) 0.92522(9) 0.13286(6) 0.0784(5) Uani 1 1 d D U . . .
N1P N 0.0278(3) 0.9437(2) 0.33380(18) 0.0865(17) Uani 1 1 d D U . . .
C2P C -0.0258(3) 0.9353(3) 0.3492(2) 0.104(3) Uani 1 1 d D U . . .
H2P H -0.0470 0.9133 0.3411 0.124 Uiso 1 1 calc R U . . .
C3P C -0.0522(4) 0.9572(4) 0.3766(3) 0.119(3) Uani 1 1 d D U . . .
H3P H -0.0908 0.9511 0.3865 0.142 Uiso 1 1 calc R U . . .
C4P C -0.0218(4) 0.9873(4) 0.3890(3) 0.118(3) Uani 1 1 d D U . . .
H4P H -0.0387 1.0017 0.4082 0.142 Uiso 1 1 calc R U . . .
C5P C 0.0338(4) 0.9970(4) 0.3735(2) 0.099(2) Uani 1 1 d D U . . .
H5P H 0.0555 1.0183 0.3817 0.119 Uiso 1 1 calc R U . . .
C6P C 0.0573(3) 0.9752(3) 0.3456(2) 0.086(2) Uani 1 1 d D U . . .
C7P C 0.1127(4) 0.9854(4) 0.3272(3) 0.087(2) Uani 1 1 d . U . . .
H7P H 0.1361 1.0070 0.3339 0.105 Uiso 1 1 calc R U . . .
C10P C 0.1968(4) 0.9537(3) 0.2539(3) 0.086(2) Uani 1 1 d . U . . .
C12P C 0.2511(4) 0.9654(3) 0.2281(3) 0.089(2) Uani 1 1 d . U . . .
C13P C 0.2912(4) 1.0009(4) 0.2286(3) 0.098(2) Uani 1 1 d . U . . .
H13P H 0.2833 1.0188 0.2470 0.118 Uiso 1 1 calc R U . . .
C14P C 0.3403(4) 1.0117(4) 0.2048(3) 0.106(3) Uani 1 1 d D U . . .
C15P C 0.3530(5) 0.9860(5) 0.1774(3) 0.109(3) Uani 1 1 d . U . . .
H15P H 0.3875 0.9934 0.1602 0.130 Uiso 1 1 calc R U . . .
C16P C 0.3157(4) 0.9501(4) 0.1753(3) 0.096(2) Uani 1 1 d . U . . .
C17P C 0.2646(4) 0.9401(4) 0.2010(3) 0.091(2) Uani 1 1 d . U . . .
H17P H 0.2388 0.9151 0.1997 0.109 Uiso 1 1 calc R U . . .
C23P C 0.3245(4) 0.9203(4) 0.1481(3) 0.094(2) Uani 1 1 d . U . . .
C26P C 0.4126(5) 0.8828(6) 0.0797(4) 0.128(4) Uani 1 1 d . U . . .
H26P H 0.4472 0.9013 0.0744 0.153 Uiso 1 1 calc R U . . .
C27P C 0.4045(3) 0.8477(4) 0.0607(2) 0.117(3) Uani 1 1 d D U . . .
C28P C 0.4431(4) 0.8364(6) 0.0327(4) 0.163(6) Uani 1 1 d D U . . .
H28P H 0.4787 0.8535 0.0248 0.196 Uiso 1 1 calc R U . . .
C29P C 0.4291(5) 0.7998(7) 0.0165(4) 0.173(7) Uani 1 1 d D U . . .
H29P H 0.4554 0.7914 -0.0025 0.207 Uiso 1 1 calc R U . . .
C30P C 0.3783(6) 0.7761(7) 0.0277(5) 0.183(8) Uani 1 1 d D U . . .
H30P H 0.3684 0.7508 0.0168 0.220 Uiso 1 1 calc R U . . .
C31P C 0.3406(5) 0.7893(5) 0.0555(4) 0.138(4) Uani 1 1 d D U . . .
H31P H 0.3044 0.7734 0.0630 0.166 Uiso 1 1 calc R U . . .
N32P N 0.3539(3) 0.8236(4) 0.0718(2) 0.111(2) Uani 1 1 d D U . . .
N8P N 0.1321(3) 0.9640(3) 0.2999(2) 0.0850(16) Uani 1 1 d D U . . .
N9P N 0.1852(3) 0.9752(3) 0.2804(2) 0.0904(18) Uani 1 1 d D U . . .
N24P N 0.3739(4) 0.9224(4) 0.1262(3) 0.114(2) Uani 1 1 d . U . . .
N25P N 0.3732(4) 0.8898(4) 0.1040(3) 0.106(2) Uani 1 1 d . U . . .
O11P O 0.1620(3) 0.9233(3) 0.24813(19) 0.0893(15) Uani 1 1 d . U . . .
O19P O 0.3892(4) 1.0530(4) 0.2431(2) 0.149(3) Uani 1 1 d D U . . .
O20P O 0.3635(4) 1.1129(3) 0.1881(3) 0.159(4) Uani 1 1 d D U . . .
O21P O 0.4392(3) 1.0559(5) 0.1823(3) 0.178(4) Uani 1 1 d D U . . .
O22P O 0.2831(3) 0.8934(3) 0.1467(2) 0.0967(17) Uani 1 1 d . U . . .
S18P S 0.38655(16) 1.06180(15) 0.20470(11) 0.1388(13) Uani 1 1 d D U . . .
C1S C 0.3119(4) 0.8183(3) 0.78336(19) 0.080(3) Uani 0.6 1 d G U P . .
H1S H 0.2973 0.7940 0.7735 0.096 Uiso 0.6 1 calc R U P . .
C2S C 0.3406(8) 0.9093(3) 0.7760(4) 0.140(6) Uani 0.6 1 d G U P . .
H2S1 H 0.3099 0.9263 0.7885 0.210 Uiso 0.6 1 calc R U P . .
H2S2 H 0.3625 0.9369 0.7548 0.210 Uiso 0.6 1 calc R U P . .
H2S3 H 0.3642 0.8914 0.7937 0.210 Uiso 0.6 1 calc R U P . .
C3S C 0.3046(7) 0.8891(6) 0.7260(3) 0.148(7) Uani 0.6 1 d G U P . .
H3S1 H 0.2948 0.8583 0.7188 0.221 Uiso 0.6 1 calc R U P . .
H3S2 H 0.3364 0.9090 0.7077 0.221 Uiso 0.6 1 calc R U P . .
H3S3 H 0.2729 0.9129 0.7266 0.221 Uiso 0.6 1 calc R U P . .
N1S N 0.3186(4) 0.8697(3) 0.7627(2) 0.106(4) Uani 0.6 1 d G U P . .
O1S O 0.3234(3) 0.7999(2) 0.81476(18) 0.0647(18) Uani 0.6 1 d G U P . .
C1T C 0.2860(8) 0.9067(6) 0.4661(5) 0.062(5) Uiso 0.25 1 d G U P A 1
H1T H 0.2831 0.9384 0.4734 0.074 Uiso 0.25 1 calc R U P A 1
C2T C 0.2487(11) 0.8189(8) 0.4730(8) 0.079(7) Uiso 0.25 1 d G U P A 1
H2T1 H 0.2167 0.7957 0.4882 0.119 Uiso 0.25 1 calc R U P A 1
H2T2 H 0.2829 0.8001 0.4778 0.119 Uiso 0.25 1 calc R U P A 1
H2T3 H 0.2476 0.8275 0.4465 0.119 Uiso 0.25 1 calc R U P A 1
C3T C 0.2010(9) 0.8740(11) 0.5115(7) 0.082(7) Uiso 0.25 1 d G U P A 1
H3T1 H 0.1769 0.8417 0.5204 0.123 Uiso 0.25 1 calc R U P A 1
H3T2 H 0.1798 0.9057 0.5012 0.123 Uiso 0.25 1 calc R U P A 1
H3T3 H 0.2153 0.8783 0.5324 0.123 Uiso 0.25 1 calc R U P A 1
N1T N 0.2471(7) 0.8685(6) 0.4827(4) 0.063(5) Uiso 0.25 1 d G U P A 1
O1T O 0.3261(8) 0.9037(9) 0.4415(6) 0.097(6) Uiso 0.25 1 d G U P A 1
C4T C 0.2176(7) 0.8769(7) 0.4976(5) 0.067(6) Uiso 0.25 1 d G U P B 2
H4T H 0.2157 0.9109 0.5019 0.080 Uiso 0.25 1 calc R U P B 2
C5T C 0.2689(10) 0.8153(8) 0.4684(8) 0.072(7) Uiso 0.25 1 d G U P B 2
H5T1 H 0.3049 0.8148 0.4522 0.108 Uiso 0.25 1 calc R U P B 2
H5T2 H 0.2393 0.8108 0.4560 0.108 Uiso 0.25 1 calc R U P B 2
H5T3 H 0.2663 0.7857 0.4919 0.108 Uiso 0.25 1 calc R U P B 2
C6T C 0.3090(8) 0.9053(8) 0.4593(6) 0.057(5) Uiso 0.25 1 d G U P B 2
H6T1 H 0.3385 0.8901 0.4446 0.085 Uiso 0.25 1 calc R U P B 2
H6T2 H 0.3233 0.9135 0.4790 0.085 Uiso 0.25 1 calc R U P B 2
H6T3 H 0.2962 0.9385 0.4431 0.085 Uiso 0.25 1 calc R U P B 2
N2T N 0.2630(6) 0.8664(6) 0.4762(4) 0.062(5) Uiso 0.25 1 d G U P B 2
O2T O 0.1772(7) 0.8451(10) 0.5125(7) 0.113(7) Uiso 0.25 1 d G U P B 2
C1U C 0.7692(5) 0.7221(4) 0.3813(3) 0.086(4) Uani 0.4 1 d G U P C 1
H1U H 0.7720 0.7012 0.3649 0.103 Uiso 0.4 1 calc R U P C 1
C2U C 0.7873(8) 0.7320(7) 0.4383(4) 0.086(4) Uani 0.4 1 d G U P C 1
H2U1 H 0.8173 0.7593 0.4293 0.129 Uiso 0.4 1 calc R U P C 1
H2U2 H 0.7913 0.7070 0.4626 0.129 Uiso 0.4 1 calc R U P C 1
H2U3 H 0.7516 0.7496 0.4409 0.129 Uiso 0.4 1 calc R U P C 1
C3U C 0.8159(8) 0.6500(5) 0.4205(5) 0.102(5) Uani 0.4 1 d G U P C 1
H3U1 H 0.8095 0.6312 0.4033 0.152 Uiso 0.4 1 calc R U P C 1
H3U2 H 0.8000 0.6283 0.4462 0.152 Uiso 0.4 1 calc R U P C 1
H3U3 H 0.8559 0.6552 0.4180 0.152 Uiso 0.4 1 calc R U P C 1
N1U N 0.7899(4) 0.7023(4) 0.4119(3) 0.091(4) Uani 0.4 1 d G U P C 1
O1U O 0.7465(5) 0.7663(4) 0.3728(3) 0.075(3) Uani 0.4 1 d G U P C 1
C4U C 0.8213(9) 0.6630(7) 0.4515(7) 0.095(5) Uani 0.25 1 d G U P D 2
H4U H 0.8236 0.6314 0.4441 0.114 Uiso 0.25 1 calc R U P D 2
C5U C 0.7909(13) 0.7548(8) 0.4420(8) 0.080(6) Uani 0.25 1 d G U P D 2
H5U1 H 0.7706 0.7473 0.4678 0.120 Uiso 0.25 1 calc R U P D 2
H5U2 H 0.7706 0.7808 0.4252 0.120 Uiso 0.25 1 calc R U P D 2
H5U3 H 0.8278 0.7697 0.4395 0.120 Uiso 0.25 1 calc R U P D 2
C6U C 0.7729(12) 0.7037(11) 0.4008(7) 0.082(4) Uani 0.25 1 d G U P D 2
H6U1 H 0.8000 0.6892 0.3842 0.123 Uiso 0.25 1 calc R U P D 2
H6U2 H 0.7637 0.7404 0.3871 0.123 Uiso 0.25 1 calc R U P D 2
H6U3 H 0.7393 0.6807 0.4099 0.123 Uiso 0.25 1 calc R U P D 2
N2U N 0.7962(7) 0.7051(7) 0.4324(5) 0.082(4) Uani 0.25 1 d G U P D 2
O2U O 0.8419(11) 0.6623(10) 0.4784(7) 0.122(7) Uani 0.25 1 d G U P D 2
O1W O 0.5222(3) 0.9561(2) 0.52520(19) 0.0994(19) Uani 1 1 d . U . . .
O2W O -0.1140(3) 1.1163(3) 0.0754(2) 0.115(2) Uani 1 1 d . U . . .
O3W O 0.0663(4) 0.6354(3) 0.8218(2) 0.113(2) Uani 1 1 d . U . . .
O4W O 0.0727(4) 0.5340(3) 0.8731(3) 0.129(3) Uani 1 1 d . U . . .
O5W O -0.0131(4) 0.7820(4) 0.2309(3) 0.129(3) Uani 1 1 d . U . . .
O6W O 0.1046(3) 0.7640(3) 0.1153(3) 0.119(2) Uani 1 1 d . U . . .
O7W O 0.6962(4) 0.6668(4) 0.8551(3) 0.141(3) Uani 1 1 d . U . . .
O8W O -0.1870(4) 1.0264(4) 0.0893(2) 0.127(3) Uani 1 1 d . U . . .
O9W O 0.2180(4) 1.2527(5) 0.1729(3) 0.146(3) Uani 1 1 d . U . . .
O10W O 0.0050(4) 0.7881(5) 0.1569(4) 0.159(4) Uani 1 1 d . U . . .
O11W O -0.0163(5) 0.9923(5) 0.4694(3) 0.121(3) Uani 0.75 1 d . U P . .
O12W O 0.4617(5) 0.9968(5) 0.5771(3) 0.125(4) Uani 0.75 1 d . U P . .
O13W O 0.4087(5) 0.3420(7) 0.9761(3) 0.153(5) Uani 0.75 1 d . U P . .
O14W O 0.6213(5) 0.3325(5) 0.8698(4) 0.126(4) Uani 0.75 1 d . U P . .
O15W O 0.0836(5) 0.4452(5) 0.8441(4) 0.139(4) Uani 0.75 1 d . U P . .
O16W O 0.3635(8) 0.8597(6) 0.6426(4) 0.163(6) Uani 0.75 1 d . U P . .
O17W O 0.7365(6) 0.8384(5) 0.7840(4) 0.155(6) Uani 0.75 1 d . U P . .
O18W O 0.6282(6) 0.9751(5) 0.5304(3) 0.137(4) Uani 0.75 1 d . U P . .
O19W O 0.6699(6) 0.8912(4) 0.6386(6) 0.134(7) Uani 0.5 1 d . U P . .
O20W O 0.2343(6) 0.7373(6) 0.7500(6) 0.119(5) Uani 0.5 1 d . U P . .
O21W O 0.3200(6) 0.7631(6) 0.6829(4) 0.103(4) Uani 0.5 1 d . U P . .
O22W O 0.1674(8) 1.0987(7) 0.3427(4) 0.119(5) Uani 0.5 1 d . U P . .
O23W O 0.4577(7) 1.1729(8) 0.1282(6) 0.142(7) Uani 0.5 1 d . U P . .
O24W O -0.0085(7) 1.3721(8) -0.1233(5) 0.128(6) Uani 0.5 1 d . U P . .
O25W O 0.7360(6) 0.8132(8) 0.3013(5) 0.120(5) Uani 0.5 1 d . U P . .
O26W O -0.1340(7) 0.9906(8) 0.4576(5) 0.125(5) Uani 0.5 1 d . U P . .
O27W O 0.0539(7) 1.3788(9) 0.1635(5) 0.137(6) Uani 0.5 1 d . U P . .
O28W O 0.2129(9) 1.0799(7) 0.2791(6) 0.147(7) Uani 0.5 1 d . U P . .
O29W O 0.5838(6) 0.8377(10) 0.0148(5) 0.146(8) Uani 0.5 1 d . U P . .
O30W O 0.2565(10) 0.6370(7) 0.3566(5) 0.138(7) Uani 0.5 1 d . U P . .
O31W O 0.6621(11) 0.8491(9) 0.2620(6) 0.161(8) Uani 0.5 1 d . U P . .
O32W O -0.1502(7) 1.0903(12) 0.3815(8) 0.194(12) Uani 0.5 1 d . U P . .
O33W O 0.6411(7) 0.4774(7) 0.5963(6) 0.126(5) Uani 0.5 1 d . U P . .
O34W O 0.6383(8) 0.4974(8) 0.8768(6) 0.132(6) Uani 0.5 1 d . U P . .
O35W O 0.0538(7) 0.7293(7) 0.0676(6) 0.128(6) Uani 0.5 1 d . U P . .
O36W O 0.0130(7) 1.3279(7) -0.1790(6) 0.126(5) Uani 0.5 1 d . U P . .
O37W O 0.0958(11) 0.4752(10) 0.7659(7) 0.087(6) Uiso 0.25 1 d . . P . .
O38W O 0.0240(10) 1.1264(11) 0.4435(7) 0.083(6) Uiso 0.25 1 d . . P . .
O39W O 0.6877(11) 0.9146(12) 0.5572(7) 0.084(6) Uiso 0.25 1 d . . P . .
O40W O 0.7191(10) 0.5598(10) 0.8785(7) 0.085(6) Uiso 0.25 1 d . . P . .
O41W O -0.0060(9) 0.6141(9) 0.2532(6) 0.077(5) Uiso 0.25 1 d . . P . .
O42W O 0.5014(10) 0.2993(10) 0.6479(7) 0.086(6) Uiso 0.25 1 d . . P . .
O43W O 0.4925(8) 0.4226(8) 0.9468(6) 0.067(4) Uiso 0.25 1 d . . P . .
O44W O 0.1899(9) 0.7870(9) 0.6252(6) 0.077(5) Uiso 0.25 1 d . . P . .
O45W O 0.5589(11) 1.1675(10) 0.1409(7) 0.090(6) Uiso 0.25 1 d . . P . .
O46W O -0.0046(8) 0.5749(8) 0.3632(6) 0.069(5) Uiso 0.25 1 d . . P . .
O47W O 0.0292(11) 0.6861(10) 0.6588(7) 0.089(6) Uiso 0.25 1 d . . P . .
O48W O 0.4733(13) 0.2747(13) 0.7553(9) 0.109(8) Uiso 0.25 1 d . . P . .
O49W O 0.6367(10) 0.4959(9) 0.6531(7) 0.080(5) Uiso 0.25 1 d . . P . .
O50W O 0.6054(11) 0.3922(11) 0.9183(8) 0.094(7) Uiso 0.25 1 d . . P . .
O51W O 0.5229(13) 0.3540(13) 0.9344(9) 0.110(8) Uiso 0.25 1 d . . P . .
O53W O 0.7589(13) 0.7946(13) 0.7156(9) 0.110(8) Uiso 0.25 1 d . . P . .
O54W O 0.1526(13) 1.3062(13) 0.2229(9) 0.111(8) Uiso 0.25 1 d . . P . .
O55W O 0.5645(13) 0.8229(13) 0.2582(9) 0.109(8) Uiso 0.25 1 d . . P . .
O56W O 0.0446(12) 0.4962(12) 0.9971(8) 0.100(7) Uiso 0.25 1 d . . P . .
O57W O 0.5444(12) 0.8396(11) -0.0472(8) 0.096(7) Uiso 0.25 1 d . . P . .
O58W O 0.0115(14) 0.6173(14) 0.4123(10) 0.118(9) Uiso 0.25 1 d . . P . .
O59W O 0.3219(12) 1.0380(11) -0.2210(8) 0.096(7) Uiso 0.25 1 d . . P . .
O60W O 0.1531(13) 1.2723(13) 0.2916(9) 0.110(8) Uiso 0.25 1 d . . P . .
O61W O 0.0253(13) 1.5092(13) 0.0721(9) 0.107(8) Uiso 0.25 1 d . . P . .
O62W O 0.0800(16) 0.8728(16) 0.5359(11) 0.132(11) Uiso 0.25 1 d . . P . .
O64W O 0.6924(16) 0.9410(16) 0.6846(11) 0.130(11) Uiso 0.25 1 d . . P . .
O65W O 0.6800(15) 0.3522(14) 0.9652(10) 0.119(9) Uiso 0.25 1 d . . P . .
O66W O -0.1549(15) 1.4268(15) 0.0107(10) 0.122(10) Uiso 0.25 1 d . . P . .
O68W O -0.2966(13) 1.0434(13) 0.1312(9) 0.109(8) Uiso 0.25 1 d . . P . .
O69W O 0.0012(14) 0.5403(13) 0.6146(9) 0.112(9) Uiso 0.25 1 d . . P . .
O71W O 0.0472(15) 1.5326(15) 0.0302(11) 0.125(10) Uiso 0.25 1 d . . P . .
O72W O -0.1769(17) 1.0272(17) 0.4321(12) 0.137(12) Uiso 0.25 1 d . . P . .
O73W O 0.4271(16) 0.9533(16) 0.4287(11) 0.132(11) Uiso 0.25 1 d . . P . .
O74W O 0.6698(13) 0.5582(12) 0.8720(9) 0.106(8) Uiso 0.25 1 d . . P . .
O75W O 0.0224(12) 1.0937(13) 0.4415(8) 0.099(7) Uiso 0.25 1 d . . P . .
O77W O 0.6966(14) 0.8862(15) 0.5641(9) 0.106(9) Uiso 0.25 1 d . . P . .
O78W O 0.5022(13) 1.0043(12) 0.2663(9) 0.105(8) Uiso 0.25 1 d . . P . .
O79W O 0.633(2) 0.387(2) 0.6866(14) 0.164(16) Uiso 0.25 1 d . . P . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 N25D 1.926(6) . ?
Cu1 O22D 1.992(5) . ?
Cu1 N8A 2.018(5) . ?
Cu1 N32D 2.035(6) . ?
Cu1 N1A 2.320(5) . ?
Cu1 O11A 2.351(5) . ?
Cu2 N8B 1.997(7) . ?
Cu2 N32A 2.023(6) . ?
Cu2 N25A 2.024(7) . ?
Cu2 N1B 2.042(7) . ?
Cu3 N8C 1.908(7) . ?
Cu3 N25B 2.000(7) . ?
Cu3 N1C 2.041(6) . ?
Cu3 O11C 2.047(5) . ?
Cu3 N32B 2.251(6) . ?
Cu3 O22B 2.348(6) . ?
Cu4 N25C 1.919(6) . ?
Cu4 O22C 2.001(5) . ?
Cu4 N8D 2.012(6) . ?
Cu4 N32C 2.051(6) . ?
Cu4 N1D 2.298(6) . ?
Cu4 O11D 2.361(6) . ?
Cu5 N25H 1.958(9) . ?
Cu5 N8E 2.003(9) . ?
Cu5 N32H 2.125(7) . ?
Cu5 O22H 2.129(6) . ?
Cu5 N1E 2.152(7) . ?
Cu5 O11E 2.224(7) . ?
Cu6 N8F 1.937(9) . ?
Cu6 N25E 2.002(9) . ?
Cu6 O11F 2.071(6) . ?
Cu6 N1F 2.109(7) . ?
Cu6 N32E 2.239(8) . ?
Cu6 O22E 2.248(7) . ?
Cu7 N8G 1.918(8) . ?
Cu7 O11G 1.992(6) . ?
Cu7 N1G 2.010(7) . ?
Cu7 N25F 2.011(7) . ?
Cu7 N32F 2.276(8) . ?
Cu7 O22F 2.430(6) . ?
Cu8 N25G 1.978(7) . ?
Cu8 N8H 2.008(6) . ?
Cu8 N32G 2.140(6) . ?
Cu8 N1H 2.185(6) . ?
Cu8 O22G 2.209(5) . ?
Cu8 O11H 2.257(6) . ?
Cu9 N25L 1.954(13) . ?
Cu9 N8I 2.008(12) . ?
Cu9 N32L 2.026(11) . ?
Cu9 O22L 2.034(8) . ?
Cu9 N1I 2.260(7) . ?
Cu9 O11I 2.343(8) . ?
Cu10 N1J 2.017(9) . ?
Cu10 N32I 2.029(8) . ?
Cu10 N25I 2.045(9) . ?
Cu10 N8J 2.050(10) . ?
Cu11 N8K 1.918(6) . ?
Cu11 N25J 2.023(7) . ?
Cu11 O11K 2.024(6) . ?
Cu11 N1K 2.059(6) . ?
Cu11 N32J 2.268(6) . ?
Cu11 O22J 2.288(6) . ?
Cu12 N25K 1.900(10) . ?
Cu12 N8L 2.000(9) . ?
Cu12 N32K 2.041(8) . ?
Cu12 O22K 2.070(6) . ?
Cu12 N1L 2.263(8) . ?
Cu12 O11L 2.303(7) . ?
Cu13 N25P 1.927(9) . ?
Cu13 O22P 2.002(8) . ?
Cu13 N8M 2.006(8) . ?
Cu13 N32P 2.029(8) . ?
Cu13 N1M 2.242(7) . ?
Cu13 O11M 2.355(6) . ?
Cu14 N8N 1.922(7) . ?
Cu14 O11N 1.990(6) . ?
Cu14 N25M 2.027(6) . ?
Cu14 N1N 2.032(7) . ?
Cu14 N32M 2.300(7) . ?
Cu14 O22M 2.398(6) . ?
Cu15 N8O 1.937(8) . ?
Cu15 N25N 2.020(8) . ?
Cu15 N1O 2.097(7) . ?
Cu15 O11O 2.120(6) . ?
Cu15 N32N 2.180(6) . ?
Cu15 O22N 2.277(7) . ?
Cu16 N25O 1.947(7) . ?
Cu16 N8P 2.033(7) . ?
Cu16 N32O 2.085(6) . ?
Cu16 O22O 2.091(5) . ?
Cu16 O11P 2.241(7) . ?
Cu16 N1P 2.274(7) . ?
N1A C2A 1.330(6) . ?
N1A C6A 1.349(6) . ?
C2A C3A 1.393(7) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.356(7) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.390(6) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.377(6) . ?
C5A H5A 0.9500 . ?
C6A C7A 1.474(9) . ?
C7A N8A 1.272(9) . ?
C7A H7A 0.9500 . ?
C10A O11A 1.222(8) . ?
C10A N9A 1.366(8) . ?
C10A C12A 1.502(10) . ?
C12A C13A 1.378(10) . ?
C12A C17A 1.403(9) . ?
C13A C14A 1.392(10) . ?
C13A H13A 0.9500 . ?
C14A C15A 1.385(10) . ?
C14A S18A 1.779(6) . ?
C15A C16A 1.406(10) . ?
C15A H15A 0.9500 . ?
C16A C17A 1.362(10) . ?
C16A C23A 1.490(10) . ?
C17A H17A 0.9500 . ?
C23A O22A 1.221(9) . ?
C23A N24A 1.366(9) . ?
C26A N25A 1.277(11) . ?
C26A C27A 1.463(10) . ?
C26A H26A 0.9500 . ?
C27A N32A 1.353(6) . ?
C27A C28A 1.373(6) . ?
C28A C29A 1.380(7) . ?
C28A H28A 0.9500 . ?
C29A C30A 1.353(7) . ?
C29A H29A 0.9500 . ?
C30A C31A 1.393(7) . ?
C30A H30A 0.9500 . ?
C31A N32A 1.340(6) . ?
C31A H31A 0.9500 . ?
N8A N9A 1.370(6) . ?
N9A H9A 0.8800 . ?
N24A N25A 1.379(8) . ?
N24A H24A 0.8800 . ?
O19A S18A 1.468(7) . ?
O20A S18A 1.437(6) . ?
O21A S18A 1.456(6) . ?
N1B C2B 1.335(6) . ?
N1B C6B 1.362(6) . ?
C2B C3B 1.391(7) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.346(7) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.376(7) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.377(7) . ?
C5B H5B 0.9500 . ?
C6B C7B 1.447(13) . ?
C7B N8B 1.292(12) . ?
C7B H7B 0.9500 . ?
C10B O11B 1.241(11) . ?
C10B N9B 1.354(11) . ?
C10B C12B 1.473(13) . ?
C12B C13B 1.399(13) . ?
C12B C17B 1.409(12) . ?
C13B C14B 1.336(14) . ?
C13B H13B 0.9500 . ?
C14B C15B 1.392(14) . ?
C14B S18B 1.782(7) . ?
C15B C16B 1.413(12) . ?
C15B H15B 0.9500 . ?
C16B C17B 1.372(12) . ?
C16B C23B 1.500(12) . ?
C17B H17B 0.9500 . ?
C23B O22B 1.232(9) . ?
C23B N24B 1.352(11) . ?
C26B N25B 1.295(11) . ?
C26B C27B 1.467(12) . ?
C26B H26B 0.9500 . ?
C27B N32B 1.353(6) . ?
C27B C28B 1.380(6) . ?
C28B C29B 1.377(7) . ?
C28B H28B 0.9500 . ?
C29B C30B 1.352(7) . ?
C29B H29B 0.9500 . ?
C30B C31B 1.390(7) . ?
C30B H30B 0.9500 . ?
C31B N32B 1.328(6) . ?
C31B H31B 0.9500 . ?
N8B N9B 1.411(8) . ?
N9B H9B 0.8800 . ?
N24B N25B 1.384(10) . ?
O19B S18B 1.376(8) . ?
O20B S18B 1.457(8) . ?
O21B S18B 1.443(8) . ?
N1C C2C 1.325(6) . ?
N1C C6C 1.360(6) . ?
C2C C3C 1.393(7) . ?
C2C H2C 0.9500 . ?
C3C C4C 1.354(7) . ?
C3C H3C 0.9500 . ?
C4C C5C 1.387(7) . ?
C4C H4C 0.9500 . ?
C5C C6C 1.385(7) . ?
C5C H5C 0.9500 . ?
C6C C7C 1.437(13) . ?
C7C N8C 1.276(11) . ?
C7C H7C 0.9500 . ?
C10C O11C 1.263(9) . ?
C10C N9C 1.351(10) . ?
C10C C12C 1.497(11) . ?
C12C C17C 1.375(11) . ?
C12C C13C 1.415(10) . ?
C13C C14C 1.397(12) . ?
C13C H13C 0.9500 . ?
C14C C15C 1.376(12) . ?
C14C S18C 1.771(6) . ?
C15C C16C 1.408(10) . ?
C15C H15C 0.9500 . ?
C16C C17C 1.385(11) . ?
C16C C23C 1.494(11) . ?
C17C H17C 0.9500 . ?
C23C O22C 1.275(8) . ?
C23C N24C 1.325(10) . ?
C26C N25C 1.293(11) . ?
C26C C27C 1.453(12) . ?
C26C H26C 0.9500 . ?
C27C N32C 1.353(6) . ?
C27C C28C 1.384(6) . ?
C28C C29C 1.380(7) . ?
C28C H28C 0.9500 . ?
C29C C30C 1.350(7) . ?
C29C H29C 0.9500 . ?
C30C C31C 1.397(7) . ?
C30C H30C 0.9500 . ?
C31C N32C 1.322(6) . ?
C31C H31C 0.9500 . ?
N8C N9C 1.378(8) . ?
N24C N25C 1.357(10) . ?
O19C S18C 1.434(8) . ?
O20C S18C 1.414(8) . ?
O21C S18C 1.421(6) . ?
N1D C2D 1.328(6) . ?
N1D C6D 1.356(6) . ?
C2D C3D 1.389(7) . ?
C2D H2D 0.9500 . ?
C3D C4D 1.356(7) . ?
C3D H3D 0.9500 . ?
C4D C5D 1.384(7) . ?
C4D H4D 0.9500 . ?
C5D C6D 1.379(6) . ?
C5D H5D 0.9500 . ?
C6D C7D 1.468(11) . ?
C7D N8D 1.282(10) . ?
C7D H7D 0.9500 . ?
C10D O11D 1.223(8) . ?
C10D N9D 1.358(10) . ?
C10D C12D 1.502(11) . ?
C12D C13D 1.383(10) . ?
C12D C17D 1.392(11) . ?
C13D C14D 1.397(12) . ?
C13D H13D 0.9500 . ?
C14D C15D 1.396(12) . ?
C14D S18D 1.780(6) . ?
C15D C16D 1.388(10) . ?
C15D H15D 0.9500 . ?
C16D C17D 1.395(11) . ?
C16D C23D 1.476(11) . ?
C17D H17D 0.9500 . ?
C23D O22D 1.282(8) . ?
C23D N24D 1.351(10) . ?
C26D N25D 1.275(10) . ?
C26D C27D 1.461(10) . ?
C26D H26D 0.9500 . ?
C27D N32D 1.357(6) . ?
C27D C28D 1.381(6) . ?
C28D C29D 1.382(7) . ?
C28D H28D 0.9500 . ?
C29D C30D 1.357(7) . ?
C29D H29D 0.9500 . ?
C30D C31D 1.393(7) . ?
C30D H30D 0.9500 . ?
C31D N32D 1.337(6) . ?
C31D H31D 0.9500 . ?
N8D N9D 1.381(7) . ?
N24D N25D 1.379(9) . ?
O19D S18D 1.418(6) . ?
O20D S18D 1.425(6) . ?
O21D S18D 1.465(6) . ?
N1E C2E 1.337(7) . ?
N1E C6E 1.352(6) . ?
C2E C3E 1.388(7) . ?
C2E H2E 0.9500 . ?
C3E C4E 1.353(7) . ?
C3E H3E 0.9500 . ?
C4E C5E 1.381(7) . ?
C4E H4E 0.9500 . ?
C5E C6E 1.384(7) . ?
C5E H5E 0.9500 . ?
C6E C7E 1.442(15) . ?
C7E N8E 1.274(13) . ?
C7E H7E 0.9500 . ?
C10E O11E 1.260(12) . ?
C10E N9E 1.347(14) . ?
C10E C12E 1.472(13) . ?
C12E C17E 1.383(13) . ?
C12E C13E 1.423(13) . ?
C13E C14E 1.406(16) . ?
C13E H13E 0.9500 . ?
C14E C15E 1.352(17) . ?
C14E S18E 1.781(7) . ?
C15E C16E 1.394(13) . ?
C15E H15E 0.9500 . ?
C16E C17E 1.393(12) . ?
C16E C23E 1.499(15) . ?
C17E H17E 0.9500 . ?
C23E O22E 1.232(11) . ?
C23E N24E 1.341(12) . ?
C26E N25E 1.276(13) . ?
C26E C27E 1.422(16) . ?
C26E H26E 0.9500 . ?
C27E N32E 1.355(7) . ?
C27E C28E 1.384(7) . ?
C28E C29E 1.378(7) . ?
C28E H28E 0.9500 . ?
C29E C30E 1.350(7) . ?
C29E H29E 0.9500 . ?
C30E C31E 1.394(7) . ?
C30E H30E 0.9500 . ?
C31E N32E 1.326(7) . ?
C31E H31E 0.9500 . ?
N8E N9E 1.382(8) . ?
N24E N25E 1.397(14) . ?
O19E S18E 1.405(8) . ?
O20E S18E 1.470(8) . ?
O21E S18E 1.391(7) . ?
N1F C2F 1.329(6) . ?
N1F C6F 1.352(6) . ?
C2F C3F 1.390(7) . ?
C2F H2F 0.9500 . ?
C3F C4F 1.353(7) . ?
C3F H3F 0.9500 . ?
C4F C5F 1.386(7) . ?
C4F H4F 0.9500 . ?
C5F C6F 1.380(7) . ?
C5F H5F 0.9500 . ?
C6F C7F 1.448(13) . ?
C7F N8F 1.260(14) . ?
C7F H7F 0.9500 . ?
C10F O11F 1.284(12) . ?
C10F N9F 1.319(14) . ?
C10F C12F 1.491(12) . ?
C12F C13F 1.376(13) . ?
C12F C17F 1.381(14) . ?
C13F C14F 1.407(13) . ?
C13F H13F 0.9500 . ?
C14F C15F 1.360(13) . ?
C14F S18F 1.784(7) . ?
C15F C16F 1.378(12) . ?
C15F H15F 0.9500 . ?
C16F C17F 1.397(12) . ?
C16F C23F 1.487(13) . ?
C17F H17F 0.9500 . ?
C23F O22F 1.208(10) . ?
C23F N24F 1.382(11) . ?
C26F N25F 1.303(12) . ?
C26F C27F 1.442(13) . ?
C26F H26F 0.9500 . ?
C27F N32F 1.353(6) . ?
C27F C28F 1.385(7) . ?
C28F C29F 1.387(7) . ?
C28F H28F 0.9500 . ?
C29F C30F 1.348(7) . ?
C29F H29F 0.9500 . ?
C30F C31F 1.391(7) . ?
C30F H30F 0.9500 . ?
C31F N32F 1.333(7) . ?
C31F H31F 0.9500 . ?
N8F N9F 1.392(8) . ?
N24F N25F 1.348(10) . ?
N24F H24F 0.8800 . ?
O19F S18F 1.446(7) . ?
O20F S18F 1.441(6) . ?
O21F S18F 1.454(7) . ?
N1G C2G 1.323(7) . ?
N1G C6G 1.352(6) . ?
C2G C3G 1.393(7) . ?
C2G H2G 0.9500 . ?
C3G C4G 1.351(7) . ?
C3G H3G 0.9500 . ?
C4G C5G 1.380(7) . ?
C4G H4G 0.9500 . ?
C5G C6G 1.382(7) . ?
C5G H5G 0.9500 . ?
C6G C7G 1.426(15) . ?
C7G N8G 1.277(11) . ?
C7G H7G 0.9500 . ?
C10G O11G 1.239(10) . ?
C10G N9G 1.364(10) . ?
C10G C12G 1.492(13) . ?
C12G C13G 1.383(13) . ?
C12G C17G 1.396(11) . ?
C13G C14G 1.375(14) . ?
C13G H13G 0.9500 . ?
C14G C15G 1.366(13) . ?
C14G S18G 1.787(7) . ?
C15G C16G 1.387(11) . ?
C15G H15G 0.9500 . ?
C16G C17G 1.383(12) . ?
C16G C23G 1.493(11) . ?
C17G H17G 0.9500 . ?
C23G O22G 1.278(9) . ?
C23G N24G 1.289(11) . ?
C26G N25G 1.292(10) . ?
C26G C27G 1.442(11) . ?
C26G H26G 0.9500 . ?
C27G N32G 1.352(6) . ?
C27G C28G 1.384(6) . ?
C28G C29G 1.385(7) . ?
C28G H28G 0.9500 . ?
C29G C30G 1.345(7) . ?
C29G H29G 0.9500 . ?
C30G C31G 1.384(7) . ?
C30G H30G 0.9500 . ?
C31G N32G 1.329(6) . ?
C31G H31G 0.9500 . ?
N8G N9G 1.367(8) . ?
N24G N25G 1.392(9) . ?
O19G S18G 1.438(8) . ?
O20G S18G 1.425(7) . ?
O21G S18G 1.450(7) . ?
N1H C2H 1.339(6) . ?
N1H C6H 1.359(6) . ?
C2H C3H 1.394(7) . ?
C2H H2H 0.9500 . ?
C3H C4H 1.346(7) . ?
C3H H3H 0.9500 . ?
C4H C5H 1.383(7) . ?
C4H H4H 0.9500 . ?
C5H C6H 1.383(6) . ?
C5H H5H 0.9500 . ?
C6H C7H 1.435(11) . ?
C7H N8H 1.277(10) . ?
C7H H7H 0.9500 . ?
C10H O11H 1.244(9) . ?
C10H N9H 1.328(10) . ?
C10H C12H 1.483(12) . ?
C12H C17H 1.391(11) . ?
C12H C13H 1.402(11) . ?
C13H C14H 1.395(12) . ?
C13H H13H 0.9500 . ?
C14H C15H 1.382(13) . ?
C14H S18H 1.776(6) . ?
C15H C16H 1.421(11) . ?
C15H H15H 0.9500 . ?
C16H C17H 1.378(12) . ?
C16H C23H 1.486(12) . ?
C17H H17H 0.9500 . ?
C23H O22H 1.229(11) . ?
C23H N24H 1.341(12) . ?
C26H N25H 1.282(13) . ?
C26H C27H 1.423(14) . ?
C26H H26H 0.9500 . ?
C27H N32H 1.352(6) . ?
C27H C28H 1.382(7) . ?
C28H C29H 1.378(7) . ?
C28H H28H 0.9500 . ?
C29H C30H 1.348(7) . ?
C29H H29H 0.9500 . ?
C30H C31H 1.387(7) . ?
C30H H30H 0.9500 . ?
C31H N32H 1.327(7) . ?
C31H H31H 0.9500 . ?
N8H N9H 1.377(7) . ?
N24H N25H 1.361(11) . ?
O19H S18H 1.440(7) . ?
O20H S18H 1.421(7) . ?
O21H S18H 1.416(6) . ?
N1I C2I 1.330(7) . ?
N1I C6I 1.347(7) . ?
C2I C3I 1.391(7) . ?
C2I H2I 0.9500 . ?
C3I C4I 1.352(7) . ?
C3I H3I 0.9500 . ?
C4I C5I 1.377(7) . ?
C4I H4I 0.9500 . ?
C5I C6I 1.380(7) . ?
C5I H5I 0.9500 . ?
C6I C7I 1.464(18) . ?
C7I N8I 1.269(14) . ?
C7I H7I 0.9500 . ?
C10I O11I 1.255(16) . ?
C10I N9I 1.334(14) . ?
C10I C12I 1.476(18) . ?
C12I C13I 1.365(18) . ?
C12I C17I 1.423(15) . ?
C13I C14I 1.400(18) . ?
C13I H13I 0.9500 . ?
C14I C15I 1.351(18) . ?
C14I S18I 1.771(8) . ?
C15I C16I 1.399(17) . ?
C15I H15I 0.9500 . ?
C16I C17I 1.390(15) . ?
C16I C23I 1.483(15) . ?
C17I H17I 0.9500 . ?
C23I O22I 1.221(12) . ?
C23I N24I 1.322(13) . ?
C26I N25I 1.204(13) . ?
C26I C27I 1.489(14) . ?
C26I H26I 0.9500 . ?
C27I N32I 1.363(7) . ?
C27I C28I 1.378(7) . ?
C28I C29I 1.374(7) . ?
C28I H28I 0.9500 . ?
C29I C30I 1.351(7) . ?
C29I H29I 0.9500 . ?
C30I C31I 1.391(7) . ?
C30I H30I 0.9500 . ?
C31I N32I 1.339(7) . ?
C31I H31I 0.9500 . ?
N8I N9I 1.392(9) . ?
N24I N25I 1.432(12) . ?
N24I H24I 0.8800 . ?
O19I S18I 1.421(9) . ?
O20I S18I 1.440(9) . ?
O21I S18I 1.403(8) . ?
N1J C2J 1.332(7) . ?
N1J C6J 1.350(7) . ?
C2J C3J 1.393(7) . ?
C2J H2J 0.9500 . ?
C3J C4J 1.351(7) . ?
C3J H3J 0.9500 . ?
C4J C5J 1.374(7) . ?
C4J H4J 0.9500 . ?
C5J C6J 1.372(7) . ?
C5J H5J 0.9500 . ?
C6J C7J 1.419(17) . ?
C7J N8J 1.323(15) . ?
C7J H7J 0.9500 . ?
C10J O11J 1.252(13) . ?
C10J N9J 1.309(15) . ?
C10J C12J 1.475(18) . ?
C12J C17J 1.398(13) . ?
C12J C13J 1.414(15) . ?
C13J C14J 1.364(16) . ?
C13J H13J 0.9500 . ?
C14J C15J 1.351(15) . ?
C14J S18J 1.781(7) . ?
C15J C16J 1.389(13) . ?
C15J H15J 0.9500 . ?
C16J C17J 1.356(15) . ?
C16J C23J 1.502(13) . ?
C17J H17J 0.9500 . ?
C23J O22J 1.239(10) . ?
C23J N24J 1.342(13) . ?
C26J N25J 1.304(12) . ?
C26J C27J 1.427(13) . ?
C26J H26J 0.9500 . ?
C27J N32J 1.356(6) . ?
C27J C28J 1.380(6) . ?
C28J C29J 1.375(7) . ?
C28J H28J 0.9500 . ?
C29J C30J 1.356(7) . ?
C29J H29J 0.9500 . ?
C30J C31J 1.388(7) . ?
C30J H30J 0.9500 . ?
C31J N32J 1.328(6) . ?
C31J H31J 0.9500 . ?
N8J N9J 1.405(9) . ?
N9J H9J 0.8800 . ?
N24J N25J 1.356(12) . ?
O19J S18J 1.422(8) . ?
O20J S18J 1.412(8) . ?
O21J S18J 1.434(8) . ?
N1K C2K 1.327(6) . ?
N1K C6K 1.354(6) . ?
C2K C3K 1.391(7) . ?
C2K H2K 0.9500 . ?
C3K C4K 1.353(7) . ?
C3K H3K 0.9500 . ?
C4K C5K 1.382(7) . ?
C4K H4K 0.9500 . ?
C5K C6K 1.381(6) . ?
C5K H5K 0.9500 . ?
C6K C7K 1.452(11) . ?
C7K N8K 1.258(10) . ?
C7K H7K 0.9500 . ?
C10K O11K 1.288(10) . ?
C10K N9K 1.340(10) . ?
C10K C12K 1.465(13) . ?
C12K C17K 1.400(12) . ?
C12K C13K 1.410(12) . ?
C13K C14K 1.396(13) . ?
C13K H13K 0.9500 . ?
C14K C15K 1.389(13) . ?
C14K S18K 1.780(7) . ?
C15K C16K 1.412(13) . ?
C15K H15K 0.9500 . ?
C16K C17K 1.378(13) . ?
C16K C23K 1.466(13) . ?
C17K H17K 0.9500 . ?
C23K O22K 1.298(11) . ?
C23K N24K 1.327(12) . ?
C26K N25K 1.300(14) . ?
C26K C27K 1.432(16) . ?
C26K H26K 0.9500 . ?
C27K N32K 1.357(7) . ?
C27K C28K 1.377(7) . ?
C28K C29K 1.387(7) . ?
C28K H28K 0.9500 . ?
C29K C30K 1.353(7) . ?
C29K H29K 0.9500 . ?
C30K C31K 1.391(7) . ?
C30K H30K 0.9500 . ?
C31K N32K 1.325(7) . ?
C31K H31K 0.9500 . ?
N8K N9K 1.371(7) . ?
N24K N25K 1.380(12) . ?
O19K S18K 1.417(7) . ?
O20K S18K 1.442(7) . ?
O21K S18K 1.449(7) . ?
N1L C2L 1.333(7) . ?
N1L C6L 1.354(7) . ?
C2L C3L 1.386(7) . ?
C2L H2L 0.9500 . ?
C3L C4L 1.350(7) . ?
C3L H3L 0.9500 . ?
C4L C5L 1.383(7) . ?
C4L H4L 0.9500 . ?
C5L C6L 1.382(7) . ?
C5L H5L 0.9500 . ?
C6L C7L 1.445(13) . ?
C7L N8L 1.243(14) . ?
C7L H7L 0.9500 . ?
C10L O11L 1.250(12) . ?
C10L N9L 1.345(14) . ?
C10L C12L 1.490(13) . ?
C12L C17L 1.383(15) . ?
C12L C13L 1.396(15) . ?
C13L C14L 1.394(14) . ?
C13L H13L 0.9500 . ?
C14L C15L 1.379(16) . ?
C14L S18L 1.772(7) . ?
C15L C16L 1.396(16) . ?
C15L H15L 0.9500 . ?
C16L C17L 1.376(13) . ?
C16L C23L 1.490(17) . ?
C17L H17L 0.9500 . ?
C23L O22L 1.276(14) . ?
C23L N24L 1.346(14) . ?
C26L N25L 1.253(17) . ?
C26L C27L 1.44(2) . ?
C26L H26L 0.9500 . ?
C27L N32L 1.352(7) . ?
C27L C28L 1.383(7) . ?
C28L C29L 1.380(7) . ?
C28L H28L 0.9500 . ?
C29L C30L 1.356(7) . ?
C29L H29L 0.9500 . ?
C30L C31L 1.390(7) . ?
C30L H30L 0.9500 . ?
C31L N32L 1.330(7) . ?
C31L H31L 0.9500 . ?
N8L N9L 1.393(8) . ?
N24L N25L 1.350(17) . ?
O19L S18L 1.440(7) . ?
O20L S18L 1.450(7) . ?
O21L S18L 1.438(7) . ?
N1M C2M 1.335(7) . ?
N1M C6M 1.353(7) . ?
C2M C3M 1.396(7) . ?
C2M H2M 0.9500 . ?
C3M C4M 1.348(7) . ?
C3M H3M 0.9500 . ?
C4M C5M 1.391(7) . ?
C4M H4M 0.9500 . ?
C5M C6M 1.381(7) . ?
C5M H5M 0.9500 . ?
C6M C7M 1.450(14) . ?
C7M N8M 1.269(13) . ?
C7M H7M 0.9500 . ?
C10M O11M 1.234(11) . ?
C10M N9M 1.379(12) . ?
C10M C12M 1.495(13) . ?
C12M C17M 1.385(12) . ?
C12M C13M 1.399(11) . ?
C13M C14M 1.398(12) . ?
C13M H13M 0.9500 . ?
C14M C15M 1.380(11) . ?
C14M S18M 1.780(6) . ?
C15M C16M 1.389(10) . ?
C15M H15M 0.9500 . ?
C16M C17M 1.384(12) . ?
C16M C23M 1.490(12) . ?
C17M H17M 0.9500 . ?
C23M O22M 1.233(9) . ?
C23M N24M 1.331(11) . ?
C26M N25M 1.289(11) . ?
C26M C27M 1.475(10) . ?
C26M H26M 0.9500 . ?
C27M N32M 1.353(6) . ?
C27M C28M 1.375(6) . ?
C28M C29M 1.382(7) . ?
C28M H28M 0.9500 . ?
C29M C30M 1.347(7) . ?
C29M H29M 0.9500 . ?
C30M C31M 1.389(7) . ?
C30M H30M 0.9500 . ?
C31M N32M 1.333(6) . ?
C31M H31M 0.9500 . ?
N8M N9M 1.380(8) . ?
N24M N25M 1.376(9) . ?
N24M H24M 0.8800 . ?
O19M S18M 1.444(6) . ?
O20M S18M 1.436(5) . ?
O21M S18M 1.443(6) . ?
N1N C2N 1.325(6) . ?
N1N C6N 1.354(6) . ?
C2N C3N 1.396(7) . ?
C2N H2N 0.9500 . ?
C3N C4N 1.353(7) . ?
C3N H3N 0.9500 . ?
C4N C5N 1.380(7) . ?
C4N H4N 0.9500 . ?
C5N C6N 1.383(7) . ?
C5N H5N 0.9500 . ?
C6N C7N 1.435(12) . ?
C7N N8N 1.278(13) . ?
C7N H7N 0.9500 . ?
C10N O11N 1.284(9) . ?
C10N N9N 1.307(11) . ?
C10N C12N 1.486(12) . ?
C12N C17N 1.390(12) . ?
C12N C13N 1.405(12) . ?
C13N C14N 1.373(13) . ?
C13N H13N 0.9500 . ?
C14N C15N 1.385(13) . ?
C14N S18N 1.787(6) . ?
C15N C16N 1.410(12) . ?
C15N H15N 0.9500 . ?
C16N C17N 1.355(13) . ?
C16N C23N 1.476(13) . ?
C17N H17N 0.9500 . ?
C23N O22N 1.244(12) . ?
C23N N24N 1.343(13) . ?
C26N N25N 1.275(12) . ?
C26N C27N 1.437(13) . ?
C26N H26N 0.9500 . ?
C27N N32N 1.349(6) . ?
C27N C28N 1.380(6) . ?
C28N C29N 1.374(7) . ?
C28N H28N 0.9500 . ?
C29N C30N 1.351(7) . ?
C29N H29N 0.9500 . ?
C30N C31N 1.390(7) . ?
C30N H30N 0.9500 . ?
C31N N32N 1.329(6) . ?
C31N H31N 0.9500 . ?
N8N N9N 1.383(8) . ?
N24N N25N 1.378(12) . ?
O19N S18N 1.431(7) . ?
O20N S18N 1.444(7) . ?
O21N S18N 1.421(6) . ?
N1O C2O 1.323(7) . ?
N1O C6O 1.350(6) . ?
C2O C3O 1.393(7) . ?
C2O H2O 0.9500 . ?
C3O C4O 1.356(7) . ?
C3O H3O 0.9500 . ?
C4O C5O 1.382(7) . ?
C4O H4O 0.9500 . ?
C5O C6O 1.383(7) . ?
C5O H5O 0.9500 . ?
C6O C7O 1.442(13) . ?
C7O N8O 1.284(12) . ?
C7O H7O 0.9500 . ?
C10O O11O 1.265(10) . ?
C10O N9O 1.347(11) . ?
C10O C12O 1.465(11) . ?
C12O C17O 1.385(11) . ?
C12O C13O 1.395(10) . ?
C13O C14O 1.385(11) . ?
C13O H13O 0.9500 . ?
C14O C15O 1.381(11) . ?
C14O S18O 1.781(6) . ?
C15O C16O 1.391(10) . ?
C15O H15O 0.9500 . ?
C16O C17O 1.367(11) . ?
C16O C23O 1.505(11) . ?
C17O H17O 0.9500 . ?
C23O O22O 1.264(9) . ?
C23O N24O 1.343(11) . ?
C26O N25O 1.292(11) . ?
C26O C27O 1.443(11) . ?
C26O H26O 0.9500 . ?
C27O N32O 1.353(6) . ?
C27O C28O 1.385(6) . ?
C28O C29O 1.379(7) . ?
C28O H28O 0.9500 . ?
C29O C30O 1.356(7) . ?
C29O H29O 0.9500 . ?
C30O C31O 1.400(6) . ?
C30O H30O 0.9500 . ?
C31O N32O 1.322(6) . ?
C31O H31O 0.9500 . ?
N8O N9O 1.385(8) . ?
N24O N25O 1.386(9) . ?
O19O S18O 1.441(6) . ?
O20O S18O 1.452(6) . ?
O21O S18O 1.414(6) . ?
N1P C2P 1.329(6) . ?
N1P C6P 1.354(6) . ?
C2P C3P 1.391(7) . ?
C2P H2P 0.9500 . ?
C3P C4P 1.355(7) . ?
C3P H3P 0.9500 . ?
C4P C5P 1.378(7) . ?
C4P H4P 0.9500 . ?
C5P C6P 1.383(7) . ?
C5P H5P 0.9500 . ?
C6P C7P 1.399(13) . ?
C7P N8P 1.336(12) . ?
C7P H7P 0.9500 . ?
C10P O11P 1.287(11) . ?
C10P N9P 1.291(13) . ?
C10P C12P 1.475(15) . ?
C12P C17P 1.382(15) . ?
C12P C13P 1.390(13) . ?
C13P C14P 1.343(16) . ?
C13P H13P 0.9500 . ?
C14P C15P 1.400(17) . ?
C14P S18P 1.767(7) . ?
C15P C16P 1.368(15) . ?
C15P H15P 0.9500 . ?
C16P C17P 1.411(15) . ?
C16P C23P 1.471(16) . ?
C17P H17P 0.9500 . ?
C23P O22P 1.283(12) . ?
C23P N24P 1.324(14) . ?
C26P N25P 1.255(16) . ?
C26P C27P 1.382(17) . ?
C26P H26P 0.9500 . ?
C27P N32P 1.347(7) . ?
C27P C28P 1.384(7) . ?
C28P C29P 1.381(7) . ?
C28P H28P 0.9500 . ?
C29P C30P 1.348(7) . ?
C29P H29P 0.9500 . ?
C30P C31P 1.389(7) . ?
C30P H30P 0.9500 . ?
C31P N32P 1.328(7) . ?
C31P H31P 0.9500 . ?
N8P N9P 1.366(8) . ?
N24P N25P 1.386(15) . ?
O19P S18P 1.438(7) . ?
O20P S18P 1.437(7) . ?
O21P S18P 1.438(8) . ?
C1S O1S 1.2409 . ?
C1S N1S 1.3245 . ?
C1S H1S 0.9500 . ?
C2S N1S 1.4528 . ?
C2S H2S1 0.9800 . ?
C2S H2S2 0.9800 . ?
C2S H2S3 0.9800 . ?
C3S N1S 1.4561 . ?
C3S H3S1 0.9800 . ?
C3S H3S2 0.9800 . ?
C3S H3S3 0.9800 . ?
C1T O1T 1.2409 . ?
C1T N1T 1.3245 . ?
C1T H1T 0.9500 . ?
C2T N1T 1.4526 . ?
C2T H2T1 0.9800 . ?
C2T H2T2 0.9800 . ?
C2T H2T3 0.9800 . ?
C3T N1T 1.4558 . ?
C3T H3T1 0.9800 . ?
C3T H3T2 0.9800 . ?
C3T H3T3 0.9800 . ?
C4T O2T 1.2412 . ?
C4T N2T 1.3243 . ?
C4T H4T 0.9500 . ?
C5T N2T 1.4525 . ?
C5T H5T1 0.9800 . ?
C5T H5T2 0.9800 . ?
C5T H5T3 0.9800 . ?
C6T N2T 1.4565 . ?
C6T H6T1 0.9800 . ?
C6T H6T2 0.9800 . ?
C6T H6T3 0.9800 . ?
C1U O1U 1.2410 . ?
C1U N1U 1.3241 . ?
C1U H1U 0.9500 . ?
C2U N1U 1.4523 . ?
C2U H2U1 0.9800 . ?
C2U H2U2 0.9800 . ?
C2U H2U3 0.9800 . ?
C3U N1U 1.4560 . ?
C3U H3U1 0.9800 . ?
C3U H3U2 0.9800 . ?
C3U H3U3 0.9800 . ?
C4U O2U 1.2409 . ?
C4U N2U 1.3244 . ?
C4U H4U 0.9500 . ?
C5U N2U 1.4524 . ?
C5U H5U1 0.9800 . ?
C5U H5U2 0.9800 . ?
C5U H5U3 0.9800 . ?
C6U N2U 1.4558 . ?
C6U H6U1 0.9800 . ?
C6U H6U2 0.9800 . ?
C6U H6U3 0.9800 . ?
O26W O72W 1.66(4) . ?
O34W O74W 1.73(4) . ?
O38W O75W 0.88(3) . ?
O39W O77W 0.75(3) . ?
O40W O74W 1.30(4) . ?
O61W O71W 1.52(5) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N25D Cu1 O22D 79.6(2) . . ?
N25D Cu1 N8A 176.6(3) . . ?
O22D Cu1 N8A 97.6(2) . . ?
N25D Cu1 N32D 80.1(2) . . ?
O22D Cu1 N32D 159.1(2) . . ?
N8A Cu1 N32D 102.9(2) . . ?
N25D Cu1 N1A 103.1(2) . . ?
O22D Cu1 N1A 95.3(2) . . ?
N8A Cu1 N1A 75.20(19) . . ?
N32D Cu1 N1A 93.8(2) . . ?
N25D Cu1 O11A 109.0(2) . . ?
O22D Cu1 O11A 93.6(2) . . ?
N8A Cu1 O11A 72.85(18) . . ?
N32D Cu1 O11A 88.7(2) . . ?
N1A Cu1 O11A 147.68(16) . . ?
N8B Cu2 N32A 126.4(3) . . ?
N8B Cu2 N25A 138.6(3) . . ?
N32A Cu2 N25A 81.8(2) . . ?
N8B Cu2 N1B 82.3(3) . . ?
N32A Cu2 N1B 105.2(3) . . ?
N25A Cu2 N1B 122.7(3) . . ?
N8C Cu3 N25B 176.7(3) . . ?
N8C Cu3 N1C 80.4(3) . . ?
N25B Cu3 N1C 101.8(3) . . ?
N8C Cu3 O11C 78.8(2) . . ?
N25B Cu3 O11C 99.1(2) . . ?
N1C Cu3 O11C 158.4(2) . . ?
N8C Cu3 N32B 100.6(3) . . ?
N25B Cu3 N32B 76.9(3) . . ?
N1C Cu3 N32B 98.4(3) . . ?
O11C Cu3 N32B 91.1(2) . . ?
N8C Cu3 O22B 110.1(3) . . ?
N25B Cu3 O22B 72.5(2) . . ?
N1C Cu3 O22B 86.2(2) . . ?
O11C Cu3 O22B 95.4(2) . . ?
N32B Cu3 O22B 149.3(2) . . ?
N25C Cu4 O22C 79.1(2) . . ?
N25C Cu4 N8D 175.2(3) . . ?
O22C Cu4 N8D 96.4(2) . . ?
N25C Cu4 N32C 81.1(3) . . ?
O22C Cu4 N32C 159.7(2) . . ?
N8D Cu4 N32C 103.2(2) . . ?
N25C Cu4 N1D 106.3(3) . . ?
O22C Cu4 N1D 90.3(2) . . ?
N8D Cu4 N1D 75.5(2) . . ?
N32C Cu4 N1D 99.6(3) . . ?
N25C Cu4 O11D 106.0(3) . . ?
O22C Cu4 O11D 95.6(2) . . ?
N8D Cu4 O11D 72.4(2) . . ?
N32C Cu4 O11D 85.6(2) . . ?
N1D Cu4 O11D 147.73(18) . . ?
N25H Cu5 N8E 170.6(3) . . ?
N25H Cu5 N32H 78.5(3) . . ?
N8E Cu5 N32H 103.9(3) . . ?
N25H Cu5 O22H 75.6(3) . . ?
N8E Cu5 O22H 101.5(3) . . ?
N32H Cu5 O22H 154.1(3) . . ?
N25H Cu5 N1E 111.3(3) . . ?
N8E Cu5 N1E 77.2(3) . . ?
N32H Cu5 N1E 103.8(3) . . ?
O22H Cu5 N1E 86.9(3) . . ?
N25H Cu5 O11E 96.6(3) . . ?
N8E Cu5 O11E 74.3(3) . . ?
N32H Cu5 O11E 92.6(3) . . ?
O22H Cu5 O11E 89.1(3) . . ?
N1E Cu5 O11E 149.8(3) . . ?
N8F Cu6 N25E 174.1(4) . . ?
N8F Cu6 O11F 78.6(3) . . ?
N25E Cu6 O11F 95.9(3) . . ?
N8F Cu6 N1F 78.7(3) . . ?
N25E Cu6 N1F 107.0(3) . . ?
O11F Cu6 N1F 156.7(3) . . ?
N8F Cu6 N32E 103.0(4) . . ?
N25E Cu6 N32E 75.4(4) . . ?
O11F Cu6 N32E 96.3(3) . . ?
N1F Cu6 N32E 93.6(3) . . ?
N8F Cu6 O22E 108.4(3) . . ?
N25E Cu6 O22E 73.4(3) . . ?
O11F Cu6 O22E 90.9(3) . . ?
N1F Cu6 O22E 91.5(3) . . ?
N32E Cu6 O22E 148.5(3) . . ?
N8G Cu7 O11G 79.7(3) . . ?
N8G Cu7 N1G 81.1(3) . . ?
O11G Cu7 N1G 160.0(3) . . ?
N8G Cu7 N25F 178.6(3) . . ?
O11G Cu7 N25F 98.8(2) . . ?
N1G Cu7 N25F 100.4(3) . . ?
N8G Cu7 N32F 104.2(3) . . ?
O11G Cu7 N32F 89.5(3) . . ?
N1G Cu7 N32F 100.7(3) . . ?
N25F Cu7 N32F 75.6(3) . . ?
N8G Cu7 O22F 108.2(3) . . ?
O11G Cu7 O22F 89.7(2) . . ?
N1G Cu7 O22F 91.0(3) . . ?
N25F Cu7 O22F 71.8(3) . . ?
N32F Cu7 O22F 146.8(2) . . ?
N25G Cu8 N8H 177.8(3) . . ?
N25G Cu8 N32G 76.7(2) . . ?
N8H Cu8 N32G 105.5(2) . . ?
N25G Cu8 N1H 104.4(2) . . ?
N8H Cu8 N1H 76.1(2) . . ?
N32G Cu8 N1H 94.1(2) . . ?
N25G Cu8 O22G 73.4(2) . . ?
N8H Cu8 O22G 104.4(2) . . ?
N32G Cu8 O22G 149.0(2) . . ?
N1H Cu8 O22G 101.0(2) . . ?
N25G Cu8 O11H 106.3(2) . . ?
N8H Cu8 O11H 73.0(2) . . ?
N32G Cu8 O11H 97.1(2) . . ?
N1H Cu8 O11H 148.97(19) . . ?
O22G Cu8 O11H 83.7(2) . . ?
N25L Cu9 N8I 173.4(4) . . ?
N25L Cu9 N32L 82.4(6) . . ?
N8I Cu9 N32L 97.3(5) . . ?
N25L Cu9 O22L 78.0(4) . . ?
N8I Cu9 O22L 102.9(4) . . ?
N32L Cu9 O22L 159.3(5) . . ?
N25L Cu9 N1I 97.2(4) . . ?
N8I Cu9 N1I 76.2(4) . . ?
N32L Cu9 N1I 97.6(4) . . ?
O22L Cu9 N1I 91.6(3) . . ?
N25L Cu9 O11I 113.1(3) . . ?
N8I Cu9 O11I 73.4(3) . . ?
N32L Cu9 O11I 88.1(4) . . ?
O22L Cu9 O11I 93.4(3) . . ?
N1I Cu9 O11I 149.6(4) . . ?
N1J Cu10 N32I 101.6(4) . . ?
N1J Cu10 N25I 125.2(4) . . ?
N32I Cu10 N25I 81.1(3) . . ?
N1J Cu10 N8J 82.5(4) . . ?
N32I Cu10 N8J 126.2(4) . . ?
N25I Cu10 N8J 139.2(4) . . ?
N8K Cu11 N25J 173.1(3) . . ?
N8K Cu11 O11K 79.4(2) . . ?
N25J Cu11 O11K 99.4(3) . . ?
N8K Cu11 N1K 80.1(2) . . ?
N25J Cu11 N1K 102.0(3) . . ?
O11K Cu11 N1K 157.5(2) . . ?
N8K Cu11 N32J 98.2(3) . . ?
N25J Cu11 N32J 75.2(3) . . ?
O11K Cu11 N32J 98.1(3) . . ?
N1K Cu11 N32J 93.9(3) . . ?
N8K Cu11 O22J 113.3(3) . . ?
N25J Cu11 O22J 73.4(3) . . ?
O11K Cu11 O22J 90.9(2) . . ?
N1K Cu11 O22J 88.8(2) . . ?
N32J Cu11 O22J 148.4(2) . . ?
N25K Cu12 N8L 174.6(4) . . ?
N25K Cu12 N32K 80.3(4) . . ?
N8L Cu12 N32K 104.3(4) . . ?
N25K Cu12 O22K 78.2(3) . . ?
N8L Cu12 O22K 97.2(3) . . ?
N32K Cu12 O22K 158.4(4) . . ?
N25K Cu12 N1L 101.5(4) . . ?
N8L Cu12 N1L 75.3(3) . . ?
N32K Cu12 N1L 97.5(3) . . ?
O22K Cu12 N1L 89.9(3) . . ?
N25K Cu12 O11L 110.2(4) . . ?
N8L Cu12 O11L 73.2(3) . . ?
N32K Cu12 O11L 86.1(3) . . ?
O22K Cu12 O11L 98.3(3) . . ?
N1L Cu12 O11L 148.2(3) . . ?
N25P Cu13 O22P 79.0(4) . . ?
N25P Cu13 N8M 177.8(4) . . ?
O22P Cu13 N8M 99.9(3) . . ?
N25P Cu13 N32P 79.5(4) . . ?
O22P Cu13 N32P 158.3(3) . . ?
N8M Cu13 N32P 101.5(3) . . ?
N25P Cu13 N1M 106.0(3) . . ?
O22P Cu13 N1M 89.0(3) . . ?
N8M Cu13 N1M 75.8(3) . . ?
N32P Cu13 N1M 98.9(3) . . ?
N25P Cu13 O11M 105.6(3) . . ?
O22P Cu13 O11M 91.2(3) . . ?
N8M Cu13 O11M 72.4(3) . . ?
N32P Cu13 O11M 92.6(3) . . ?
N1M Cu13 O11M 147.8(3) . . ?
N8N Cu14 O11N 78.3(3) . . ?
N8N Cu14 N25M 175.0(3) . . ?
O11N Cu14 N25M 100.5(2) . . ?
N8N Cu14 N1N 80.2(3) . . ?
O11N Cu14 N1N 158.3(2) . . ?
N25M Cu14 N1N 100.6(3) . . ?
N8N Cu14 N32M 110.1(3) . . ?
O11N Cu14 N32M 97.1(3) . . ?
N25M Cu14 N32M 74.8(2) . . ?
N1N Cu14 N32M 93.1(3) . . ?
N8N Cu14 O22M 103.4(3) . . ?
O11N Cu14 O22M 90.6(3) . . ?
N25M Cu14 O22M 71.7(2) . . ?
N1N Cu14 O22M 91.4(3) . . ?
N32M Cu14 O22M 146.39(19) . . ?
N8O Cu15 N25N 170.9(3) . . ?
N8O Cu15 N1O 78.5(3) . . ?
N25N Cu15 N1O 101.0(3) . . ?
N8O Cu15 O11O 76.6(2) . . ?
N25N Cu15 O11O 103.6(3) . . ?
N1O Cu15 O11O 155.1(3) . . ?
N8O Cu15 N32N 113.0(3) . . ?
N25N Cu15 N32N 76.1(3) . . ?
N1O Cu15 N32N 100.2(3) . . ?
O11O Cu15 N32N 89.8(2) . . ?
N8O Cu15 O22N 97.7(3) . . ?
N25N Cu15 O22N 73.1(3) . . ?
N1O Cu15 O22N 92.7(3) . . ?
O11O Cu15 O22N 90.4(2) . . ?
N32N Cu15 O22N 148.4(2) . . ?
N25O Cu16 N8P 178.7(3) . . ?
N25O Cu16 N32O 78.7(2) . . ?
N8P Cu16 N32O 100.0(2) . . ?
N25O Cu16 O22O 76.4(2) . . ?
N8P Cu16 O22O 104.8(2) . . ?
N32O Cu16 O22O 154.5(2) . . ?
N25O Cu16 O11P 107.9(3) . . ?
N8P Cu16 O11P 71.9(3) . . ?
N32O Cu16 O11P 96.2(3) . . ?
O22O Cu16 O11P 86.0(2) . . ?
N25O Cu16 N1P 105.4(3) . . ?
N8P Cu16 N1P 75.0(3) . . ?
N32O Cu16 N1P 96.5(3) . . ?
O22O Cu16 N1P 95.6(2) . . ?
O11P Cu16 N1P 146.1(2) . . ?
C2A N1A C6A 118.0(5) . . ?
C2A N1A Cu1 132.6(4) . . ?
C6A N1A Cu1 109.4(4) . . ?
N1A C2A C3A 122.4(6) . . ?
N1A C2A H2A 118.8 . . ?
C3A C2A H2A 118.8 . . ?
C4A C3A C2A 119.1(6) . . ?
C4A C3A H3A 120.4 . . ?
C2A C3A H3A 120.4 . . ?
C3A C4A C5A 119.5(6) . . ?
C3A C4A H4A 120.3 . . ?
C5A C4A H4A 120.3 . . ?
C6A C5A C4A 118.3(6) . . ?
C6A C5A H5A 120.9 . . ?
C4A C5A H5A 120.9 . . ?
N1A C6A C5A 122.8(6) . . ?
N1A C6A C7A 115.9(5) . . ?
C5A C6A C7A 121.3(5) . . ?
N8A C7A C6A 117.8(6) . . ?
N8A C7A H7A 121.1 . . ?
C6A C7A H7A 121.1 . . ?
O11A C10A N9A 121.3(6) . . ?
O11A C10A C12A 121.4(6) . . ?
N9A C10A C12A 117.3(5) . . ?
C13A C12A C17A 118.9(6) . . ?
C13A C12A C10A 125.5(6) . . ?
C17A C12A C10A 115.6(6) . . ?
C12A C13A C14A 119.9(6) . . ?
C12A C13A H13A 120.0 . . ?
C14A C13A H13A 120.0 . . ?
C15A C14A C13A 120.6(6) . . ?
C15A C14A S18A 117.0(6) . . ?
C13A C14A S18A 122.0(5) . . ?
C14A C15A C16A 119.5(7) . . ?
C14A C15A H15A 120.2 . . ?
C16A C15A H15A 120.2 . . ?
C17A C16A C15A 119.1(6) . . ?
C17A C16A C23A 125.7(6) . . ?
C15A C16A C23A 115.1(6) . . ?
C16A C17A C12A 121.8(6) . . ?
C16A C17A H17A 119.1 . . ?
C12A C17A H17A 119.1 . . ?
O22A C23A N24A 124.0(6) . . ?
O22A C23A C16A 120.8(6) . . ?
N24A C23A C16A 115.2(6) . . ?
N25A C26A C27A 119.1(7) . . ?
N25A C26A H26A 120.5 . . ?
C27A C26A H26A 120.5 . . ?
N32A C27A C28A 122.8(6) . . ?
N32A C27A C26A 114.6(6) . . ?
C28A C27A C26A 122.6(6) . . ?
C27A C28A C29A 118.3(6) . . ?
C27A C28A H28A 120.8 . . ?
C29A C28A H28A 120.8 . . ?
C30A C29A C28A 120.0(6) . . ?
C30A C29A H29A 120.0 . . ?
C28A C29A H29A 120.0 . . ?
C29A C30A C31A 119.1(6) . . ?
C29A C30A H30A 120.5 . . ?
C31A C30A H30A 120.5 . . ?
N32A C31A C30A 122.0(6) . . ?
N32A C31A H31A 119.0 . . ?
C30A C31A H31A 119.0 . . ?
C31A N32A C27A 117.7(6) . . ?
C31A N32A Cu2 130.2(5) . . ?
C27A N32A Cu2 111.7(4) . . ?
C7A N8A N9A 119.2(5) . . ?
C7A N8A Cu1 121.6(5) . . ?
N9A N8A Cu1 119.1(4) . . ?
C10A N9A N8A 116.0(5) . . ?
C10A N9A H9A 122.0 . . ?
N8A N9A H9A 122.0 . . ?
C23A N24A N25A 126.9(6) . . ?
C23A N24A H24A 116.6 . . ?
N25A N24A H24A 116.6 . . ?
C26A N25A N24A 122.4(7) . . ?
C26A N25A Cu2 112.2(5) . . ?
N24A N25A Cu2 125.4(5) . . ?
C10A O11A Cu1 110.4(4) . . ?
O20A S18A O21A 113.4(5) . . ?
O20A S18A O19A 112.7(5) . . ?
O21A S18A O19A 113.3(5) . . ?
O20A S18A C14A 106.2(4) . . ?
O21A S18A C14A 104.6(4) . . ?
O19A S18A C14A 105.8(4) . . ?
C2B N1B C6B 118.0(6) . . ?
C2B N1B Cu2 132.3(5) . . ?
C6B N1B Cu2 109.5(5) . . ?
N1B C2B C3B 121.9(7) . . ?
N1B C2B H2B 119.0 . . ?
C3B C2B H2B 119.0 . . ?
C4B C3B C2B 119.4(7) . . ?
C4B C3B H3B 120.3 . . ?
C2B C3B H3B 120.3 . . ?
C3B C4B C5B 120.0(7) . . ?
C3B C4B H4B 120.0 . . ?
C5B C4B H4B 120.0 . . ?
C4B C5B C6B 118.6(7) . . ?
C4B C5B H5B 120.7 . . ?
C6B C5B H5B 120.7 . . ?
N1B C6B C5B 122.0(7) . . ?
N1B C6B C7B 116.9(7) . . ?
C5B C6B C7B 121.0(7) . . ?
N8B C7B C6B 117.4(8) . . ?
N8B C7B H7B 121.3 . . ?
C6B C7B H7B 121.3 . . ?
O11B C10B N9B 122.0(9) . . ?
O11B C10B C12B 120.7(8) . . ?
N9B C10B C12B 117.2(7) . . ?
C13B C12B C17B 116.9(9) . . ?
C13B C12B C10B 119.8(8) . . ?
C17B C12B C10B 123.3(8) . . ?
C14B C13B C12B 121.3(9) . . ?
C14B C13B H13B 119.4 . . ?
C12B C13B H13B 119.4 . . ?
C13B C14B C15B 122.7(8) . . ?
C13B C14B S18B 118.6(7) . . ?
C15B C14B S18B 118.8(8) . . ?
C14B C15B C16B 117.6(9) . . ?
C14B C15B H15B 121.2 . . ?
C16B C15B H15B 121.2 . . ?
C17B C16B C15B 119.4(8) . . ?
C17B C16B C23B 117.4(7) . . ?
C15B C16B C23B 123.2(8) . . ?
C16B C17B C12B 122.1(8) . . ?
C16B C17B H17B 119.0 . . ?
C12B C17B H17B 119.0 . . ?
O22B C23B N24B 122.3(8) . . ?
O22B C23B C16B 120.8(7) . . ?
N24B C23B C16B 116.8(7) . . ?
N25B C26B C27B 117.8(8) . . ?
N25B C26B H26B 121.1 . . ?
C27B C26B H26B 121.1 . . ?
N32B C27B C28B 122.5(6) . . ?
N32B C27B C26B 115.3(6) . . ?
C28B C27B C26B 122.2(7) . . ?
C29B C28B C27B 118.8(6) . . ?
C29B C28B H28B 120.6 . . ?
C27B C28B H28B 120.6 . . ?
C30B C29B C28B 119.1(7) . . ?
C30B C29B H29B 120.5 . . ?
C28B C29B H29B 120.5 . . ?
C29B C30B C31B 119.5(7) . . ?
C29B C30B H30B 120.2 . . ?
C31B C30B H30B 120.2 . . ?
N32B C31B C30B 122.6(7) . . ?
N32B C31B H31B 118.7 . . ?
C30B C31B H31B 118.7 . . ?
C31B N32B C27B 117.4(6) . . ?
C31B N32B Cu3 132.2(5) . . ?
C27B N32B Cu3 110.3(4) . . ?
C7B N8B N9B 120.1(8) . . ?
C7B N8B Cu2 113.5(6) . . ?
N9B N8B Cu2 126.4(6) . . ?
C10B N9B N8B 128.3(7) . . ?
C10B N9B H9B 115.8 . . ?
N8B N9B H9B 115.8 . . ?
C23B N24B N25B 114.1(6) . . ?
C26B N25B N24B 119.4(7) . . ?
C26B N25B Cu3 119.7(6) . . ?
N24B N25B Cu3 120.9(5) . . ?
C23B O22B Cu3 110.1(5) . . ?
O19B S18B O21B 114.8(9) . . ?
O19B S18B O20B 117.8(9) . . ?
O21B S18B O20B 104.4(8) . . ?
O19B S18B C14B 108.8(6) . . ?
O21B S18B C14B 105.5(6) . . ?
O20B S18B C14B 104.4(6) . . ?
C2C N1C C6C 117.9(6) . . ?
C2C N1C Cu3 130.9(5) . . ?
C6C N1C Cu3 111.1(5) . . ?
N1C C2C C3C 122.8(7) . . ?
N1C C2C H2C 118.6 . . ?
C3C C2C H2C 118.6 . . ?
C4C C3C C2C 119.1(7) . . ?
C4C C3C H3C 120.5 . . ?
C2C C3C H3C 120.5 . . ?
C3C C4C C5C 119.7(7) . . ?
C3C C4C H4C 120.1 . . ?
C5C C4C H4C 120.1 . . ?
C6C C5C C4C 118.3(7) . . ?
C6C C5C H5C 120.9 . . ?
C4C C5C H5C 120.9 . . ?
N1C C6C C5C 122.2(7) . . ?
N1C C6C C7C 114.4(6) . . ?
C5C C6C C7C 123.4(7) . . ?
N8C C7C C6C 115.6(8) . . ?
N8C C7C H7C 122.2 . . ?
C6C C7C H7C 122.2 . . ?
O11C C10C N9C 125.2(7) . . ?
O11C C10C C12C 117.7(7) . . ?
N9C C10C C12C 117.0(6) . . ?
C17C C12C C13C 120.2(7) . . ?
C17C C12C C10C 119.4(6) . . ?
C13C C12C C10C 120.4(7) . . ?
C14C C13C C12C 117.7(8) . . ?
C14C C13C H13C 121.2 . . ?
C12C C13C H13C 121.2 . . ?
C15C C14C C13C 122.1(6) . . ?
C15C C14C S18C 119.5(6) . . ?
C13C C14C S18C 118.3(6) . . ?
C14C C15C C16C 119.4(8) . . ?
C14C C15C H15C 120.3 . . ?
C16C C15C H15C 120.3 . . ?
C17C C16C C15C 119.1(7) . . ?
C17C C16C C23C 119.9(6) . . ?
C15C C16C C23C 121.0(7) . . ?
C12C C17C C16C 121.5(6) . . ?
C12C C17C H17C 119.3 . . ?
C16C C17C H17C 119.3 . . ?
O22C C23C N24C 126.0(7) . . ?
O22C C23C C16C 117.3(6) . . ?
N24C C23C C16C 116.7(6) . . ?
N25C C26C C27C 115.2(7) . . ?
N25C C26C H26C 122.4 . . ?
C27C C26C H26C 122.4 . . ?
N32C C27C C28C 121.2(6) . . ?
N32C C27C C26C 115.3(6) . . ?
C28C C27C C26C 123.5(7) . . ?
C29C C28C C27C 119.2(7) . . ?
C29C C28C H28C 120.4 . . ?
C27C C28C H28C 120.4 . . ?
C30C C29C C28C 119.6(7) . . ?
C30C C29C H29C 120.2 . . ?
C28C C29C H29C 120.2 . . ?
C29C C30C C31C 118.8(7) . . ?
C29C C30C H30C 120.6 . . ?
C31C C30C H30C 120.6 . . ?
N32C C31C C30C 122.5(6) . . ?
N32C C31C H31C 118.8 . . ?
C30C C31C H31C 118.8 . . ?
C31C N32C C27C 118.7(6) . . ?
C31C N32C Cu4 130.6(5) . . ?
C27C N32C Cu4 110.7(4) . . ?
C7C N8C N9C 122.9(8) . . ?
C7C N8C Cu3 118.4(6) . . ?
N9C N8C Cu3 118.7(5) . . ?
C10C N9C N8C 107.7(6) . . ?
C23C N24C N25C 107.6(6) . . ?
C26C N25C N24C 124.2(7) . . ?
C26C N25C Cu4 117.6(6) . . ?
N24C N25C Cu4 118.2(5) . . ?
C10C O11C Cu3 109.2(5) . . ?
C23C O22C Cu4 108.9(5) . . ?
O20C S18C O21C 116.0(6) . . ?
O20C S18C O19C 106.5(8) . . ?
O21C S18C O19C 112.6(8) . . ?
O20C S18C C14C 107.1(5) . . ?
O21C S18C C14C 108.4(4) . . ?
O19C S18C C14C 105.7(5) . . ?
C2D N1D C6D 117.6(6) . . ?
C2D N1D Cu4 132.0(4) . . ?
C6D N1D Cu4 108.5(4) . . ?
N1D C2D C3D 122.8(6) . . ?
N1D C2D H2D 118.6 . . ?
C3D C2D H2D 118.6 . . ?
C4D C3D C2D 119.2(6) . . ?
C4D C3D H3D 120.4 . . ?
C2D C3D H3D 120.4 . . ?
C3D C4D C5D 119.3(6) . . ?
C3D C4D H4D 120.4 . . ?
C5D C4D H4D 120.4 . . ?
C6D C5D C4D 118.7(6) . . ?
C6D C5D H5D 120.6 . . ?
C4D C5D H5D 120.6 . . ?
N1D C6D C5D 122.4(6) . . ?
N1D C6D C7D 115.7(6) . . ?
C5D C6D C7D 121.9(6) . . ?
N8D C7D C6D 117.0(7) . . ?
N8D C7D H7D 121.5 . . ?
C6D C7D H7D 121.5 . . ?
O11D C10D N9D 122.2(7) . . ?
O11D C10D C12D 120.9(7) . . ?
N9D C10D C12D 117.0(6) . . ?
C13D C12D C17D 119.3(8) . . ?
C13D C12D C10D 125.1(7) . . ?
C17D C12D C10D 115.5(6) . . ?
C12D C13D C14D 119.7(8) . . ?
C12D C13D H13D 120.1 . . ?
C14D C13D H13D 120.1 . . ?
C15D C14D C13D 120.4(6) . . ?
C15D C14D S18D 119.4(6) . . ?
C13D C14D S18D 120.0(6) . . ?
C16D C15D C14D 120.2(8) . . ?
C16D C15D H15D 119.9 . . ?
C14D C15D H15D 119.9 . . ?
C15D C16D C17D 118.6(7) . . ?
C15D C16D C23D 123.8(7) . . ?
C17D C16D C23D 117.6(6) . . ?
C12D C17D C16D 121.6(6) . . ?
C12D C17D H17D 119.2 . . ?
C16D C17D H17D 119.2 . . ?
O22D C23D N24D 124.5(7) . . ?
O22D C23D C16D 117.9(7) . . ?
N24D C23D C16D 117.6(6) . . ?
N25D C26D C27D 115.0(6) . . ?
N25D C26D H26D 122.5 . . ?
C27D C26D H26D 122.5 . . ?
N32D C27D C28D 122.5(6) . . ?
N32D C27D C26D 113.7(6) . . ?
C28D C27D C26D 123.7(6) . . ?
C27D C28D C29D 117.5(6) . . ?
C27D C28D H28D 121.2 . . ?
C29D C28D H28D 121.2 . . ?
C30D C29D C28D 120.6(6) . . ?
C30D C29D H29D 119.7 . . ?
C28D C29D H29D 119.7 . . ?
C29D C30D C31D 119.2(6) . . ?
C29D C30D H30D 120.4 . . ?
C31D C30D H30D 120.4 . . ?
N32D C31D C30D 121.3(6) . . ?
N32D C31D H31D 119.3 . . ?
C30D C31D H31D 119.3 . . ?
C31D N32D C27D 118.7(5) . . ?
C31D N32D Cu1 128.9(4) . . ?
C27D N32D Cu1 112.4(4) . . ?
C7D N8D N9D 118.6(6) . . ?
C7D N8D Cu4 121.0(5) . . ?
N9D N8D Cu4 120.4(4) . . ?
C10D N9D N8D 114.8(6) . . ?
C23D N24D N25D 107.6(5) . . ?
C26D N25D N24D 123.6(6) . . ?
C26D N25D Cu1 118.7(5) . . ?
N24D N25D Cu1 117.7(5) . . ?
C10D O11D Cu4 110.2(5) . . ?
C23D O22D Cu1 110.4(5) . . ?
O19D S18D O20D 116.8(5) . . ?
O19D S18D O21D 111.7(6) . . ?
O20D S18D O21D 109.5(5) . . ?
O19D S18D C14D 106.9(4) . . ?
O20D S18D C14D 106.1(4) . . ?
O21D S18D C14D 105.0(4) . . ?
C2E N1E C6E 118.2(7) . . ?
C2E N1E Cu5 129.1(6) . . ?
C6E N1E Cu5 112.0(5) . . ?
N1E C2E C3E 122.3(7) . . ?
N1E C2E H2E 118.9 . . ?
C3E C2E H2E 118.9 . . ?
C4E C3E C2E 119.1(8) . . ?
C4E C3E H3E 120.5 . . ?
C2E C3E H3E 120.5 . . ?
C3E C4E C5E 119.9(7) . . ?
C3E C4E H4E 120.1 . . ?
C5E C4E H4E 120.1 . . ?
C4E C5E C6E 118.6(7) . . ?
C4E C5E H5E 120.7 . . ?
C6E C5E H5E 120.7 . . ?
N1E C6E C5E 121.9(7) . . ?
N1E C6E C7E 114.5(7) . . ?
C5E C6E C7E 123.5(8) . . ?
N8E C7E C6E 117.5(11) . . ?
N8E C7E H7E 121.2 . . ?
C6E C7E H7E 121.2 . . ?
O11E C10E N9E 123.1(9) . . ?
O11E C10E C12E 118.3(9) . . ?
N9E C10E C12E 118.6(9) . . ?
C17E C12E C13E 117.0(9) . . ?
C17E C12E C10E 117.7(8) . . ?
C13E C12E C10E 125.2(10) . . ?
C14E C13E C12E 119.3(10) . . ?
C14E C13E H13E 120.4 . . ?
C12E C13E H13E 120.4 . . ?
C15E C14E C13E 122.3(8) . . ?
C15E C14E S18E 120.3(9) . . ?
C13E C14E S18E 117.3(9) . . ?
C14E C15E C16E 119.0(10) . . ?
C14E C15E H15E 120.5 . . ?
C16E C15E H15E 120.5 . . ?
C17E C16E C15E 119.7(10) . . ?
C17E C16E C23E 115.7(8) . . ?
C15E C16E C23E 124.5(9) . . ?
C12E C17E C16E 122.5(8) . . ?
C12E C17E H17E 118.8 . . ?
C16E C17E H17E 118.8 . . ?
O22E C23E N24E 120.4(11) . . ?
O22E C23E C16E 120.3(8) . . ?
N24E C23E C16E 119.2(9) . . ?
N25E C26E C27E 117.4(11) . . ?
N25E C26E H26E 121.3 . . ?
C27E C26E H26E 121.3 . . ?
N32E C27E C28E 121.4(7) . . ?
N32E C27E C26E 115.7(8) . . ?
C28E C27E C26E 122.8(8) . . ?
C29E C28E C27E 118.1(8) . . ?
C29E C28E H28E 120.9 . . ?
C27E C28E H28E 120.9 . . ?
C30E C29E C28E 120.6(8) . . ?
C30E C29E H29E 119.7 . . ?
C28E C29E H29E 119.7 . . ?
C29E C30E C31E 118.9(8) . . ?
C29E C30E H30E 120.6 . . ?
C31E C30E H30E 120.6 . . ?
N32E C31E C30E 121.6(8) . . ?
N32E C31E H31E 119.2 . . ?
C30E C31E H31E 119.2 . . ?
C31E N32E C27E 119.2(7) . . ?
C31E N32E Cu6 130.3(6) . . ?
C27E N32E Cu6 110.5(6) . . ?
C7E N8E N9E 122.2(10) . . ?
C7E N8E Cu5 118.6(8) . . ?
N9E N8E Cu5 119.2(7) . . ?
C10E N9E N8E 111.8(9) . . ?
C23E N24E N25E 114.3(9) . . ?
C26E N25E N24E 120.6(10) . . ?
C26E N25E Cu6 120.8(10) . . ?
N24E N25E Cu6 118.4(6) . . ?
C10E O11E Cu5 110.5(6) . . ?
C23E O22E Cu6 113.0(6) . . ?
O21E S18E O19E 118.0(8) . . ?
O21E S18E O20E 111.4(8) . . ?
O19E S18E O20E 106.8(8) . . ?
O21E S18E C14E 109.0(5) . . ?
O19E S18E C14E 106.6(6) . . ?
O20E S18E C14E 104.1(6) . . ?
C2F N1F C6F 118.6(6) . . ?
C2F N1F Cu6 130.1(5) . . ?
C6F N1F Cu6 111.4(5) . . ?
N1F C2F C3F 121.9(7) . . ?
N1F C2F H2F 119.0 . . ?
C3F C2F H2F 119.0 . . ?
C4F C3F C2F 119.7(7) . . ?
C4F C3F H3F 120.2 . . ?
C2F C3F H3F 120.2 . . ?
C3F C4F C5F 119.1(7) . . ?
C3F C4F H4F 120.5 . . ?
C5F C4F H4F 120.5 . . ?
C6F C5F C4F 118.9(7) . . ?
C6F C5F H5F 120.6 . . ?
C4F C5F H5F 120.6 . . ?
N1F C6F C5F 121.8(6) . . ?
N1F C6F C7F 113.6(7) . . ?
C5F C6F C7F 124.6(7) . . ?
N8F C7F C6F 117.3(10) . . ?
N8F C7F H7F 121.4 . . ?
C6F C7F H7F 121.4 . . ?
O11F C10F N9F 124.7(8) . . ?
O11F C10F C12F 117.5(9) . . ?
N9F C10F C12F 117.8(9) . . ?
C13F C12F C17F 119.4(8) . . ?
C13F C12F C10F 120.7(9) . . ?
C17F C12F C10F 119.9(8) . . ?
C12F C13F C14F 119.3(9) . . ?
C12F C13F H13F 120.4 . . ?
C14F C13F H13F 120.4 . . ?
C15F C14F C13F 121.1(7) . . ?
C15F C14F S18F 117.2(6) . . ?
C13F C14F S18F 121.7(7) . . ?
C14F C15F C16F 120.0(8) . . ?
C14F C15F H15F 120.0 . . ?
C16F C15F H15F 120.0 . . ?
C15F C16F C17F 119.4(9) . . ?
C15F C16F C23F 124.4(8) . . ?
C17F C16F C23F 116.2(7) . . ?
C12F C17F C16F 120.9(8) . . ?
C12F C17F H17F 119.5 . . ?
C16F C17F H17F 119.5 . . ?
O22F C23F N24F 121.0(8) . . ?
O22F C23F C16F 123.1(8) . . ?
N24F C23F C16F 115.9(7) . . ?
N25F C26F C27F 118.8(9) . . ?
N25F C26F H26F 120.6 . . ?
C27F C26F H26F 120.6 . . ?
N32F C27F C28F 122.4(7) . . ?
N32F C27F C26F 114.3(7) . . ?
C28F C27F C26F 123.3(8) . . ?
C27F C28F C29F 118.1(7) . . ?
C27F C28F H28F 120.9 . . ?
C29F C28F H28F 120.9 . . ?
C30F C29F C28F 119.9(8) . . ?
C30F C29F H29F 120.1 . . ?
C28F C29F H29F 120.1 . . ?
C29F C30F C31F 119.3(8) . . ?
C29F C30F H30F 120.4 . . ?
C31F C30F H30F 120.4 . . ?
N32F C31F C30F 122.4(8) . . ?
N32F C31F H31F 118.8 . . ?
C30F C31F H31F 118.8 . . ?
C31F N32F C27F 117.9(7) . . ?
C31F N32F Cu7 130.1(6) . . ?
C27F N32F Cu7 111.0(5) . . ?
C7F N8F N9F 123.7(10) . . ?
C7F N8F Cu6 118.9(7) . . ?
N9F N8F Cu6 117.3(7) . . ?
C10F N9F N8F 110.0(8) . . ?
N25F N24F C23F 117.2(7) . . ?
N25F N24F H24F 121.4 . . ?
C23F N24F H24F 121.4 . . ?
C26F N25F N24F 119.9(8) . . ?
C26F N25F Cu7 119.7(7) . . ?
N24F N25F Cu7 120.4(5) . . ?
C10F O11F Cu6 109.3(6) . . ?
C23F O22F Cu7 109.1(6) . . ?
O20F S18F O19F 112.4(6) . . ?
O20F S18F O21F 114.5(5) . . ?
O19F S18F O21F 112.7(6) . . ?
O20F S18F C14F 106.0(4) . . ?
O19F S18F C14F 104.6(5) . . ?
O21F S18F C14F 105.6(5) . . ?
C2G N1G C6G 118.9(7) . . ?
C2G N1G Cu7 129.4(5) . . ?
C6G N1G Cu7 111.6(5) . . ?
N1G C2G C3G 123.0(7) . . ?
N1G C2G H2G 118.5 . . ?
C3G C2G H2G 118.5 . . ?
C4G C3G C2G 117.8(8) . . ?
C4G C3G H3G 121.1 . . ?
C2G C3G H3G 121.1 . . ?
C3G C4G C5G 120.5(7) . . ?
C3G C4G H4G 119.8 . . ?
C5G C4G H4G 119.8 . . ?
C4G C5G C6G 119.0(7) . . ?
C4G C5G H5G 120.5 . . ?
C6G C5G H5G 120.5 . . ?
N1G C6G C5G 120.8(7) . . ?
N1G C6G C7G 114.2(7) . . ?
C5G C6G C7G 124.9(8) . . ?
N8G C7G C6G 116.6(9) . . ?
N8G C7G H7G 121.7 . . ?
C6G C7G H7G 121.7 . . ?
O11G C10G N9G 125.9(8) . . ?
O11G C10G C12G 115.5(7) . . ?
N9G C10G C12G 118.3(7) . . ?
C13G C12G C17G 119.7(9) . . ?
C13G C12G C10G 125.0(8) . . ?
C17G C12G C10G 115.3(7) . . ?
C14G C13G C12G 119.7(8) . . ?
C14G C13G H13G 120.2 . . ?
C12G C13G H13G 120.2 . . ?
C15G C14G C13G 120.8(7) . . ?
C15G C14G S18G 117.3(7) . . ?
C13G C14G S18G 121.8(7) . . ?
C14G C15G C16G 120.4(9) . . ?
C14G C15G H15G 119.8 . . ?
C16G C15G H15G 119.8 . . ?
C17G C16G C15G 119.3(7) . . ?
C17G C16G C23G 119.8(7) . . ?
C15G C16G C23G 120.8(8) . . ?
C16G C17G C12G 120.1(8) . . ?
C16G C17G H17G 120.0 . . ?
C12G C17G H17G 120.0 . . ?
O22G C23G N24G 124.5(7) . . ?
O22G C23G C16G 119.4(7) . . ?
N24G C23G C16G 116.0(7) . . ?
N25G C26G C27G 114.7(7) . . ?
N25G C26G H26G 122.7 . . ?
C27G C26G H26G 122.7 . . ?
N32G C27G C28G 120.2(6) . . ?
N32G C27G C26G 115.2(6) . . ?
C28G C27G C26G 124.6(7) . . ?
C27G C28G C29G 118.4(7) . . ?
C27G C28G H28G 120.8 . . ?
C29G C28G H28G 120.8 . . ?
C30G C29G C28G 120.9(7) . . ?
C30G C29G H29G 119.5 . . ?
C28G C29G H29G 119.5 . . ?
C29G C30G C31G 118.3(8) . . ?
C29G C30G H30G 120.9 . . ?
C31G C30G H30G 120.9 . . ?
N32G C31G C30G 121.9(7) . . ?
N32G C31G H31G 119.1 . . ?
C30G C31G H31G 119.1 . . ?
C31G N32G C27G 119.9(6) . . ?
C31G N32G Cu8 127.8(5) . . ?
C27G N32G Cu8 112.3(4) . . ?
C7G N8G N9G 126.1(9) . . ?
C7G N8G Cu7 116.5(7) . . ?
N9G N8G Cu7 117.4(5) . . ?
C10G N9G N8G 106.8(7) . . ?
C23G N24G N25G 110.3(7) . . ?
C26G N25G N24G 117.9(7) . . ?
C26G N25G Cu8 120.7(6) . . ?
N24G N25G Cu8 121.4(5) . . ?
C10G O11G Cu7 109.5(5) . . ?
C23G O22G Cu8 110.4(5) . . ?
O20G S18G O19G 116.9(7) . . ?
O20G S18G O21G 110.6(7) . . ?
O19G S18G O21G 110.2(7) . . ?
O20G S18G C14G 107.1(5) . . ?
O19G S18G C14G 105.9(5) . . ?
O21G S18G C14G 105.2(5) . . ?
C2H N1H C6H 118.2(6) . . ?
C2H N1H Cu8 129.8(5) . . ?
C6H N1H Cu8 112.0(4) . . ?
N1H C2H C3H 121.5(7) . . ?
N1H C2H H2H 119.2 . . ?
C3H C2H H2H 119.2 . . ?
C4H C3H C2H 119.7(7) . . ?
C4H C3H H3H 120.1 . . ?
C2H C3H H3H 120.1 . . ?
C3H C4H C5H 120.0(7) . . ?
C3H C4H H4H 120.0 . . ?
C5H C4H H4H 120.0 . . ?
C4H C5H C6H 118.2(6) . . ?
C4H C5H H5H 120.9 . . ?
C6H C5H H5H 120.9 . . ?
N1H C6H C5H 122.2(6) . . ?
N1H C6H C7H 114.6(5) . . ?
C5H C6H C7H 123.2(6) . . ?
N8H C7H C6H 117.4(6) . . ?
N8H C7H H7H 121.3 . . ?
C6H C7H H7H 121.3 . . ?
O11H C10H N9H 125.2(7) . . ?
O11H C10H C12H 119.6(7) . . ?
N9H C10H C12H 115.2(6) . . ?
C17H C12H C13H 117.0(8) . . ?
C17H C12H C10H 117.7(7) . . ?
C13H C12H C10H 125.3(7) . . ?
C14H C13H C12H 121.1(8) . . ?
C14H C13H H13H 119.4 . . ?
C12H C13H H13H 119.4 . . ?
C15H C14H C13H 122.0(7) . . ?
C15H C14H S18H 116.4(7) . . ?
C13H C14H S18H 121.6(6) . . ?
C14H C15H C16H 116.7(8) . . ?
C14H C15H H15H 121.7 . . ?
C16H C15H H15H 121.7 . . ?
C17H C16H C15H 121.1(8) . . ?
C17H C16H C23H 114.7(7) . . ?
C15H C16H C23H 124.2(8) . . ?
C16H C17H C12H 122.1(7) . . ?
C16H C17H H17H 119.0 . . ?
C12H C17H H17H 119.0 . . ?
O22H C23H N24H 123.0(8) . . ?
O22H C23H C16H 118.8(8) . . ?
N24H C23H C16H 118.2(8) . . ?
N25H C26H C27H 117.7(10) . . ?
N25H C26H H26H 121.1 . . ?
C27H C26H H26H 121.1 . . ?
N32H C27H C28H 122.6(7) . . ?
N32H C27H C26H 114.8(7) . . ?
C28H C27H C26H 122.6(8) . . ?
C29H C28H C27H 118.1(7) . . ?
C29H C28H H28H 121.0 . . ?
C27H C28H H28H 121.0 . . ?
C30H C29H C28H 119.6(7) . . ?
C30H C29H H29H 120.2 . . ?
C28H C29H H29H 120.2 . . ?
C29H C30H C31H 119.8(8) . . ?
C29H C30H H30H 120.1 . . ?
C31H C30H H30H 120.1 . . ?
N32H C31H C30H 121.9(8) . . ?
N32H C31H H31H 119.0 . . ?
C30H C31H H31H 119.0 . . ?
C31H N32H C27H 118.0(6) . . ?
C31H N32H Cu5 130.9(6) . . ?
C27H N32H Cu5 111.1(5) . . ?
C7H N8H N9H 119.0(6) . . ?
C7H N8H Cu8 119.9(5) . . ?
N9H N8H Cu8 121.2(5) . . ?
C10H N9H N8H 110.6(6) . . ?
C23H N24H N25H 110.9(8) . . ?
C26H N25H N24H 123.2(10) . . ?
C26H N25H Cu5 117.9(8) . . ?
N24H N25H Cu5 118.8(6) . . ?
C10H O11H Cu8 109.9(5) . . ?
C23H O22H Cu5 111.6(6) . . ?
O21H S18H O20H 113.6(7) . . ?
O21H S18H O19H 113.5(7) . . ?
O20H S18H O19H 110.2(7) . . ?
O21H S18H C14H 106.2(4) . . ?
O20H S18H C14H 107.1(5) . . ?
O19H S18H C14H 105.6(4) . . ?
C2I N1I C6I 118.3(7) . . ?
C2I N1I Cu9 131.9(6) . . ?
C6I N1I Cu9 109.7(6) . . ?
N1I C2I C3I 121.9(8) . . ?
N1I C2I H2I 119.0 . . ?
C3I C2I H2I 119.0 . . ?
C4I C3I C2I 119.2(8) . . ?
C4I C3I H3I 120.4 . . ?
C2I C3I H3I 120.4 . . ?
C3I C4I C5I 119.6(7) . . ?
C3I C4I H4I 120.2 . . ?
C5I C4I H4I 120.2 . . ?
C4I C5I C6I 118.5(8) . . ?
C4I C5I H5I 120.7 . . ?
C6I C5I H5I 120.7 . . ?
N1I C6I C5I 122.2(8) . . ?
N1I C6I C7I 115.7(8) . . ?
C5I C6I C7I 122.1(10) . . ?
N8I C7I C6I 117.8(14) . . ?
N8I C7I H7I 121.1 . . ?
C6I C7I H7I 121.1 . . ?
O11I C10I N9I 122.4(12) . . ?
O11I C10I C12I 119.7(10) . . ?
N9I C10I C12I 117.7(13) . . ?
C13I C12I C17I 119.3(12) . . ?
C13I C12I C10I 123.1(11) . . ?
C17I C12I C10I 117.6(12) . . ?
C12I C13I C14I 119.4(11) . . ?
C12I C13I H13I 120.3 . . ?
C14I C13I H13I 120.3 . . ?
C15I C14I C13I 121.0(11) . . ?
C15I C14I S18I 121.0(11) . . ?
C13I C14I S18I 117.9(10) . . ?
C14I C15I C16I 121.7(13) . . ?
C14I C15I H15I 119.1 . . ?
C16I C15I H15I 119.1 . . ?
C17I C16I C15I 117.4(11) . . ?
C17I C16I C23I 123.7(11) . . ?
C15I C16I C23I 118.9(11) . . ?
C16I C17I C12I 121.0(12) . . ?
C16I C17I H17I 119.5 . . ?
C12I C17I H17I 119.5 . . ?
O22I C23I N24I 123.6(10) . . ?
O22I C23I C16I 118.9(10) . . ?
N24I C23I C16I 117.3(9) . . ?
N25I C26I C27I 118.7(10) . . ?
N25I C26I H26I 120.7 . . ?
C27I C26I H26I 120.7 . . ?
N32I C27I C28I 122.9(7) . . ?
N32I C27I C26I 114.9(8) . . ?
C28I C27I C26I 122.2(8) . . ?
C29I C28I C27I 118.2(7) . . ?
C29I C28I H28I 120.9 . . ?
C27I C28I H28I 120.9 . . ?
C30I C29I C28I 120.1(7) . . ?
C30I C29I H29I 120.0 . . ?
C28I C29I H29I 120.0 . . ?
C29I C30I C31I 119.3(7) . . ?
C29I C30I H30I 120.3 . . ?
C31I C30I H30I 120.3 . . ?
N32I C31I C30I 122.3(7) . . ?
N32I C31I H31I 118.8 . . ?
C30I C31I H31I 118.8 . . ?
C31I N32I C27I 117.0(7) . . ?
C31I N32I Cu10 132.0(6) . . ?
C27I N32I Cu10 110.8(5) . . ?
C7I N8I N9I 120.5(13) . . ?
C7I N8I Cu9 120.0(11) . . ?
N9I N8I Cu9 119.3(7) . . ?
C10I N9I N8I 115.5(11) . . ?
C23I N24I N25I 128.1(9) . . ?
C23I N24I H24I 116.0 . . ?
N25I N24I H24I 116.0 . . ?
C26I N25I N24I 122.5(10) . . ?
C26I N25I Cu10 114.3(8) . . ?
N24I N25I Cu10 123.2(6) . . ?
C10I O11I Cu9 109.3(7) . . ?
O21I S18I O19I 113.4(11) . . ?
O21I S18I O20I 111.3(11) . . ?
O19I S18I O20I 111.4(10) . . ?
O21I S18I C14I 107.2(8) . . ?
O19I S18I C14I 106.9(8) . . ?
O20I S18I C14I 106.3(8) . . ?
C2J N1J C6J 118.3(7) . . ?
C2J N1J Cu10 132.0(7) . . ?
C6J N1J Cu10 109.6(7) . . ?
N1J C2J C3J 121.8(8) . . ?
N1J C2J H2J 119.1 . . ?
C3J C2J H2J 119.1 . . ?
C4J C3J C2J 119.3(8) . . ?
C4J C3J H3J 120.3 . . ?
C2J C3J H3J 120.3 . . ?
C3J C4J C5J 119.4(8) . . ?
C3J C4J H4J 120.3 . . ?
C5J C4J H4J 120.3 . . ?
C6J C5J C4J 119.3(8) . . ?
C6J C5J H5J 120.4 . . ?
C4J C5J H5J 120.4 . . ?
N1J C6J C5J 121.9(8) . . ?
N1J C6J C7J 119.9(9) . . ?
C5J C6J C7J 118.2(10) . . ?
N8J C7J C6J 116.4(12) . . ?
N8J C7J H7J 121.8 . . ?
C6J C7J H7J 121.8 . . ?
O11J C10J N9J 122.6(13) . . ?
O11J C10J C12J 116.6(11) . . ?
N9J C10J C12J 119.9(9) . . ?
C17J C12J C13J 115.7(11) . . ?
C17J C12J C10J 123.5(10) . . ?
C13J C12J C10J 120.8(9) . . ?
C14J C13J C12J 120.9(9) . . ?
C14J C13J H13J 119.6 . . ?
C12J C13J H13J 119.6 . . ?
C15J C14J C13J 121.6(8) . . ?
C15J C14J S18J 119.5(9) . . ?
C13J C14J S18J 118.8(8) . . ?
C14J C15J C16J 119.4(11) . . ?
C14J C15J H15J 120.3 . . ?
C16J C15J H15J 120.3 . . ?
C17J C16J C15J 119.6(9) . . ?
C17J C16J C23J 116.5(8) . . ?
C15J C16J C23J 123.9(10) . . ?
C16J C17J C12J 122.7(9) . . ?
C16J C17J H17J 118.7 . . ?
C12J C17J H17J 118.7 . . ?
O22J C23J N24J 121.8(8) . . ?
O22J C23J C16J 118.8(9) . . ?
N24J C23J C16J 119.5(8) . . ?
N25J C26J C27J 118.4(8) . . ?
N25J C26J H26J 120.8 . . ?
C27J C26J H26J 120.8 . . ?
N32J C27J C28J 122.0(6) . . ?
N32J C27J C26J 115.1(6) . . ?
C28J C27J C26J 122.9(6) . . ?
C29J C28J C27J 119.1(6) . . ?
C29J C28J H28J 120.4 . . ?
C27J C28J H28J 120.4 . . ?
C30J C29J C28J 119.2(7) . . ?
C30J C29J H29J 120.4 . . ?
C28J C29J H29J 120.4 . . ?
C29J C30J C31J 119.2(7) . . ?
C29J C30J H30J 120.4 . . ?
C31J C30J H30J 120.4 . . ?
N32J C31J C30J 122.8(6) . . ?
N32J C31J H31J 118.6 . . ?
C30J C31J H31J 118.6 . . ?
C31J N32J C27J 117.6(6) . . ?
C31J N32J Cu11 131.0(4) . . ?
C27J N32J Cu11 111.2(5) . . ?
C7J N8J N9J 119.8(11) . . ?
C7J N8J Cu10 111.5(9) . . ?
N9J N8J Cu10 128.7(7) . . ?
C10J N9J N8J 131.4(10) . . ?
C10J N9J H9J 114.3 . . ?
N8J N9J H9J 114.3 . . ?
C23J N24J N25J 115.6(7) . . ?
C26J N25J N24J 121.5(8) . . ?
C26J N25J Cu11 119.9(6) . . ?
N24J N25J Cu11 118.7(6) . . ?
C23J O22J Cu11 110.6(6) . . ?
O20J S18J O19J 116.5(9) . . ?
O20J S18J O21J 111.0(8) . . ?
O19J S18J O21J 112.2(8) . . ?
O20J S18J C14J 103.0(6) . . ?
O19J S18J C14J 106.4(5) . . ?
O21J S18J C14J 106.7(6) . . ?
C2K N1K C6K 118.2(6) . . ?
C2K N1K Cu11 130.7(5) . . ?
C6K N1K Cu11 111.0(4) . . ?
N1K C2K C3K 122.9(6) . . ?
N1K C2K H2K 118.6 . . ?
C3K C2K H2K 118.6 . . ?
C4K C3K C2K 118.4(7) . . ?
C4K C3K H3K 120.8 . . ?
C2K C3K H3K 120.8 . . ?
C3K C4K C5K 120.0(7) . . ?
C3K C4K H4K 120.0 . . ?
C5K C4K H4K 120.0 . . ?
C6K C5K C4K 118.8(6) . . ?
C6K C5K H5K 120.6 . . ?
C4K C5K H5K 120.6 . . ?
N1K C6K C5K 121.6(6) . . ?
N1K C6K C7K 113.6(6) . . ?
C5K C6K C7K 124.4(6) . . ?
N8K C7K C6K 116.6(7) . . ?
N8K C7K H7K 121.7 . . ?
C6K C7K H7K 121.7 . . ?
O11K C10K N9K 124.5(8) . . ?
O11K C10K C12K 118.4(7) . . ?
N9K C10K C12K 117.0(7) . . ?
C17K C12K C13K 118.8(8) . . ?
C17K C12K C10K 119.6(7) . . ?
C13K C12K C10K 121.6(8) . . ?
C14K C13K C12K 119.0(8) . . ?
C14K C13K H13K 120.5 . . ?
C12K C13K H13K 120.5 . . ?
C15K C14K C13K 121.6(7) . . ?
C15K C14K S18K 121.1(7) . . ?
C13K C14K S18K 117.2(7) . . ?
C14K C15K C16K 119.3(8) . . ?
C14K C15K H15K 120.3 . . ?
C16K C15K H15K 120.3 . . ?
C17K C16K C15K 119.1(8) . . ?
C17K C16K C23K 119.2(8) . . ?
C15K C16K C23K 121.7(8) . . ?
C16K C17K C12K 122.1(8) . . ?
C16K C17K H17K 119.0 . . ?
C12K C17K H17K 119.0 . . ?
O22K C23K N24K 122.5(9) . . ?
O22K C23K C16K 118.1(8) . . ?
N24K C23K C16K 119.4(9) . . ?
N25K C26K C27K 116.8(12) . . ?
N25K C26K H26K 121.6 . . ?
C27K C26K H26K 121.6 . . ?
N32K C27K C28K 121.8(8) . . ?
N32K C27K C26K 112.7(8) . . ?
C28K C27K C26K 125.4(10) . . ?
C27K C28K C29K 119.3(8) . . ?
C27K C28K H28K 120.4 . . ?
C29K C28K H28K 120.4 . . ?
C30K C29K C28K 118.8(8) . . ?
C30K C29K H29K 120.6 . . ?
C28K C29K H29K 120.6 . . ?
C29K C30K C31K 119.4(8) . . ?
C29K C30K H30K 120.3 . . ?
C31K C30K H30K 120.3 . . ?
N32K C31K C30K 122.7(8) . . ?
N32K C31K H31K 118.7 . . ?
C30K C31K H31K 118.7 . . ?
C31K N32K C27K 117.9(7) . . ?
C31K N32K Cu12 129.5(7) . . ?
C27K N32K Cu12 112.6(6) . . ?
C7K N8K N9K 124.0(7) . . ?
C7K N8K Cu11 118.0(6) . . ?
N9K N8K Cu11 117.9(5) . . ?
C10K N9K N8K 108.7(6) . . ?
C23K N24K N25K 110.2(9) . . ?
C26K N25K N24K 123.4(11) . . ?
C26K N25K Cu12 117.4(9) . . ?
N24K N25K Cu12 119.0(6) . . ?
C10K O11K Cu11 109.3(5) . . ?
C23K O22K Cu12 109.8(6) . . ?
O19K S18K O20K 114.6(6) . . ?
O19K S18K O21K 112.0(5) . . ?
O20K S18K O21K 112.6(6) . . ?
O19K S18K C14K 105.4(5) . . ?
O20K S18K C14K 105.6(5) . . ?
O21K S18K C14K 105.7(5) . . ?
C2L N1L C6L 117.1(7) . . ?
C2L N1L Cu12 132.3(7) . . ?
C6L N1L Cu12 109.7(5) . . ?
N1L C2L C3L 122.8(8) . . ?
N1L C2L H2L 118.6 . . ?
C3L C2L H2L 118.6 . . ?
C4L C3L C2L 119.9(8) . . ?
C4L C3L H3L 120.1 . . ?
C2L C3L H3L 120.1 . . ?
C3L C4L C5L 118.7(8) . . ?
C3L C4L H4L 120.7 . . ?
C5L C4L H4L 120.7 . . ?
C6L C5L C4L 118.9(8) . . ?
C6L C5L H5L 120.6 . . ?
C4L C5L H5L 120.6 . . ?
N1L C6L C5L 122.5(7) . . ?
N1L C6L C7L 113.4(9) . . ?
C5L C6L C7L 124.0(9) . . ?
N8L C7L C6L 120.1(11) . . ?
N8L C7L H7L 120.0 . . ?
C6L C7L H7L 120.0 . . ?
O11L C10L N9L 123.0(8) . . ?
O11L C10L C12L 120.0(10) . . ?
N9L C10L C12L 116.7(9) . . ?
C17L C12L C13L 120.0(9) . . ?
C17L C12L C10L 116.5(9) . . ?
C13L C12L C10L 123.5(10) . . ?
C14L C13L C12L 117.8(10) . . ?
C14L C13L H13L 121.1 . . ?
C12L C13L H13L 121.1 . . ?
C15L C14L C13L 122.5(9) . . ?
C15L C14L S18L 119.4(7) . . ?
C13L C14L S18L 118.0(8) . . ?
C14L C15L C16L 118.6(9) . . ?
C14L C15L H15L 120.7 . . ?
C16L C15L H15L 120.7 . . ?
C17L C16L C15L 119.7(11) . . ?
C17L C16L C23L 117.8(10) . . ?
C15L C16L C23L 122.4(9) . . ?
C16L C17L C12L 121.3(10) . . ?
C16L C17L H17L 119.3 . . ?
C12L C17L H17L 119.3 . . ?
O22L C23L N24L 122.7(13) . . ?
O22L C23L C16L 117.5(9) . . ?
N24L C23L C16L 119.9(12) . . ?
N25L C26L C27L 117.9(18) . . ?
N25L C26L H26L 121.1 . . ?
C27L C26L H26L 121.1 . . ?
N32L C27L C28L 121.8(9) . . ?
N32L C27L C26L 116.2(12) . . ?
C28L C27L C26L 122.0(13) . . ?
C29L C28L C27L 117.7(9) . . ?
C29L C28L H28L 121.1 . . ?
C27L C28L H28L 121.1 . . ?
C30L C29L C28L 120.9(9) . . ?
C30L C29L H29L 119.5 . . ?
C28L C29L H29L 119.5 . . ?
C29L C30L C31L 118.4(9) . . ?
C29L C30L H30L 120.8 . . ?
C31L C30L H30L 120.8 . . ?
N32L C31L C30L 121.9(9) . . ?
N32L C31L H31L 119.1 . . ?
C30L C31L H31L 119.1 . . ?
C31L N32L C27L 119.1(8) . . ?
C31L N32L Cu9 131.9(10) . . ?
C27L N32L Cu9 108.9(9) . . ?
C7L N8L N9L 119.3(10) . . ?
C7L N8L Cu12 119.6(7) . . ?
N9L N8L Cu12 120.8(7) . . ?
C10L N9L N8L 112.7(9) . . ?
C23L N24L N25L 110.2(12) . . ?
C26L N25L N24L 128.2(16) . . ?
C26L N25L Cu9 114.0(14) . . ?
N24L N25L Cu9 117.5(8) . . ?
C10L O11L Cu12 110.1(7) . . ?
C23L O22L Cu9 111.2(7) . . ?
O21L S18L O19L 111.3(5) . . ?
O21L S18L O20L 112.8(6) . . ?
O19L S18L O20L 114.1(6) . . ?
O21L S18L C14L 105.7(5) . . ?
O19L S18L C14L 105.1(5) . . ?
O20L S18L C14L 107.0(5) . . ?
C2M N1M C6M 118.6(7) . . ?
C2M N1M Cu13 131.0(6) . . ?
C6M N1M Cu13 110.2(5) . . ?
N1M C2M C3M 121.9(8) . . ?
N1M C2M H2M 119.0 . . ?
C3M C2M H2M 119.0 . . ?
C4M C3M C2M 119.1(8) . . ?
C4M C3M H3M 120.5 . . ?
C2M C3M H3M 120.5 . . ?
C3M C4M C5M 120.0(8) . . ?
C3M C4M H4M 120.0 . . ?
C5M C4M H4M 120.0 . . ?
C6M C5M C4M 118.3(8) . . ?
C6M C5M H5M 120.8 . . ?
C4M C5M H5M 120.8 . . ?
N1M C6M C5M 121.9(7) . . ?
N1M C6M C7M 115.8(7) . . ?
C5M C6M C7M 121.9(8) . . ?
N8M C7M C6M 116.9(10) . . ?
N8M C7M H7M 121.5 . . ?
C6M C7M H7M 121.5 . . ?
O11M C10M N9M 120.6(8) . . ?
O11M C10M C12M 122.1(8) . . ?
N9M C10M C12M 117.3(7) . . ?
C17M C12M C13M 119.5(8) . . ?
C17M C12M C10M 115.9(7) . . ?
C13M C12M C10M 124.7(8) . . ?
C14M C13M C12M 118.8(8) . . ?
C14M C13M H13M 120.6 . . ?
C12M C13M H13M 120.6 . . ?
C15M C14M C13M 121.2(6) . . ?
C15M C14M S18M 119.9(6) . . ?
C13M C14M S18M 118.9(6) . . ?
C14M C15M C16M 119.7(8) . . ?
C14M C15M H15M 120.1 . . ?
C16M C15M H15M 120.1 . . ?
C17M C16M C15M 119.4(8) . . ?
C17M C16M C23M 115.7(6) . . ?
C15M C16M C23M 124.9(8) . . ?
C16M C17M C12M 121.4(7) . . ?
C16M C17M H17M 119.3 . . ?
C12M C17M H17M 119.3 . . ?
O22M C23M N24M 121.5(8) . . ?
O22M C23M C16M 121.5(8) . . ?
N24M C23M C16M 117.0(6) . . ?
N25M C26M C27M 117.0(6) . . ?
N25M C26M H26M 121.5 . . ?
C27M C26M H26M 121.5 . . ?
N32M C27M C28M 123.2(6) . . ?
N32M C27M C26M 115.2(6) . . ?
C28M C27M C26M 121.6(6) . . ?
C27M C28M C29M 118.5(6) . . ?
C27M C28M H28M 120.7 . . ?
C29M C28M H28M 120.7 . . ?
C30M C29M C28M 119.1(7) . . ?
C30M C29M H29M 120.4 . . ?
C28M C29M H29M 120.4 . . ?
C29M C30M C31M 119.5(7) . . ?
C29M C30M H30M 120.2 . . ?
C31M C30M H30M 120.2 . . ?
N32M C31M C30M 122.9(7) . . ?
N32M C31M H31M 118.6 . . ?
C30M C31M H31M 118.6 . . ?
C31M N32M C27M 116.7(6) . . ?
C31M N32M Cu14 132.2(5) . . ?
C27M N32M Cu14 111.1(4) . . ?
C7M N8M N9M 118.0(8) . . ?
C7M N8M Cu13 121.1(7) . . ?
N9M N8M Cu13 120.8(6) . . ?
C10M N9M N8M 114.8(7) . . ?
C23M N24M N25M 117.1(6) . . ?
C23M N24M H24M 121.5 . . ?
N25M N24M H24M 121.5 . . ?
C26M N25M N24M 118.3(6) . . ?
C26M N25M Cu14 122.0(5) . . ?
N24M N25M Cu14 119.8(5) . . ?
C10M O11M Cu13 111.0(6) . . ?
C23M O22M Cu14 109.8(6) . . ?
O20M S18M O21M 111.1(5) . . ?
O20M S18M O19M 114.3(4) . . ?
O21M S18M O19M 113.1(5) . . ?
O20M S18M C14M 106.6(4) . . ?
O21M S18M C14M 105.9(4) . . ?
O19M S18M C14M 105.0(4) . . ?
C2N N1N C6N 118.6(6) . . ?
C2N N1N Cu14 130.0(5) . . ?
C6N N1N Cu14 111.4(5) . . ?
N1N C2N C3N 122.5(7) . . ?
N1N C2N H2N 118.7 . . ?
C3N C2N H2N 118.7 . . ?
C4N C3N C2N 118.5(7) . . ?
C4N C3N H3N 120.8 . . ?
C2N C3N H3N 120.8 . . ?
C3N C4N C5N 120.1(7) . . ?
C3N C4N H4N 119.9 . . ?
C5N C4N H4N 119.9 . . ?
C4N C5N C6N 118.7(7) . . ?
C4N C5N H5N 120.7 . . ?
C6N C5N H5N 120.7 . . ?
N1N C6N C5N 121.5(7) . . ?
N1N C6N C7N 115.0(7) . . ?
C5N C6N C7N 123.5(7) . . ?
N8N C7N C6N 115.0(8) . . ?
N8N C7N H7N 122.5 . . ?
C6N C7N H7N 122.5 . . ?
O11N C10N N9N 124.8(8) . . ?
O11N C10N C12N 118.6(8) . . ?
N9N C10N C12N 116.5(7) . . ?
C17N C12N C13N 118.6(8) . . ?
C17N C12N C10N 119.5(7) . . ?
C13N C12N C10N 121.8(8) . . ?
C14N C13N C12N 119.7(9) . . ?
C14N C13N H13N 120.2 . . ?
C12N C13N H13N 120.2 . . ?
C13N C14N C15N 120.7(7) . . ?
C13N C14N S18N 121.1(7) . . ?
C15N C14N S18N 118.2(7) . . ?
C14N C15N C16N 120.1(8) . . ?
C14N C15N H15N 120.0 . . ?
C16N C15N H15N 120.0 . . ?
C17N C16N C15N 118.5(8) . . ?
C17N C16N C23N 117.8(8) . . ?
C15N C16N C23N 123.6(9) . . ?
C16N C17N C12N 122.5(7) . . ?
C16N C17N H17N 118.8 . . ?
C12N C17N H17N 118.8 . . ?
O22N C23N N24N 122.7(9) . . ?
O22N C23N C16N 119.0(9) . . ?
N24N C23N C16N 118.3(9) . . ?
N25N C26N C27N 118.1(9) . . ?
N25N C26N H26N 120.9 . . ?
C27N C26N H26N 120.9 . . ?
N32N C27N C28N 121.8(6) . . ?
N32N C27N C26N 114.2(7) . . ?
C28N C27N C26N 124.0(7) . . ?
C29N C28N C27N 119.0(7) . . ?
C29N C28N H28N 120.5 . . ?
C27N C28N H28N 120.5 . . ?
C30N C29N C28N 119.6(7) . . ?
C30N C29N H29N 120.2 . . ?
C28N C29N H29N 120.2 . . ?
C29N C30N C31N 118.9(7) . . ?
C29N C30N H30N 120.5 . . ?
C31N C30N H30N 120.5 . . ?
N32N C31N C30N 122.6(7) . . ?
N32N C31N H31N 118.7 . . ?
C30N C31N H31N 118.7 . . ?
C31N N32N C27N 118.0(6) . . ?
C31N N32N Cu15 129.4(5) . . ?
C27N N32N Cu15 112.6(5) . . ?
C7N N8N N9N 123.4(7) . . ?
C7N N8N Cu14 118.3(6) . . ?
N9N N8N Cu14 118.3(5) . . ?
C10N N9N N8N 107.6(6) . . ?
C23N N24N N25N 113.3(8) . . ?
C26N N25N N24N 121.4(9) . . ?
C26N N25N Cu15 118.8(7) . . ?
N24N N25N Cu15 119.8(6) . . ?
C10N O11N Cu14 110.9(6) . . ?
C23N O22N Cu15 110.9(7) . . ?
O21N S18N O19N 114.4(6) . . ?
O21N S18N O20N 113.3(6) . . ?
O19N S18N O20N 111.2(6) . . ?
O21N S18N C14N 106.0(4) . . ?
O19N S18N C14N 106.5(4) . . ?
O20N S18N C14N 104.7(4) . . ?
C2O N1O C6O 118.8(7) . . ?
C2O N1O Cu15 129.4(6) . . ?
C6O N1O Cu15 111.8(5) . . ?
N1O C2O C3O 123.0(8) . . ?
N1O C2O H2O 118.5 . . ?
C3O C2O H2O 118.5 . . ?
C4O C3O C2O 117.9(8) . . ?
C4O C3O H3O 121.1 . . ?
C2O C3O H3O 121.1 . . ?
C3O C4O C5O 120.3(7) . . ?
C3O C4O H4O 119.9 . . ?
C5O C4O H4O 119.9 . . ?
C4O C5O C6O 118.8(7) . . ?
C4O C5O H5O 120.6 . . ?
C6O C5O H5O 120.6 . . ?
N1O C6O C5O 121.2(7) . . ?
N1O C6O C7O 114.7(7) . . ?
C5O C6O C7O 124.0(8) . . ?
N8O C7O C6O 115.2(9) . . ?
N8O C7O H7O 122.4 . . ?
C6O C7O H7O 122.4 . . ?
O11O C10O N9O 123.6(8) . . ?
O11O C10O C12O 119.1(7) . . ?
N9O C10O C12O 117.2(7) . . ?
C17O C12O C13O 117.8(7) . . ?
C17O C12O C10O 116.6(6) . . ?
C13O C12O C10O 125.5(7) . . ?
C14O C13O C12O 119.5(7) . . ?
C14O C13O H13O 120.3 . . ?
C12O C13O H13O 120.3 . . ?
C15O C14O C13O 121.4(6) . . ?
C15O C14O S18O 119.6(6) . . ?
C13O C14O S18O 119.0(5) . . ?
C14O C15O C16O 119.6(7) . . ?
C14O C15O H15O 120.2 . . ?
C16O C15O H15O 120.2 . . ?
C17O C16O C15O 118.3(7) . . ?
C17O C16O C23O 117.6(6) . . ?
C15O C16O C23O 124.1(7) . . ?
C16O C17O C12O 123.4(7) . . ?
C16O C17O H17O 118.3 . . ?
C12O C17O H17O 118.3 . . ?
O22O C23O N24O 125.4(7) . . ?
O22O C23O C16O 118.1(7) . . ?
N24O C23O C16O 116.4(6) . . ?
N25O C26O C27O 115.3(7) . . ?
N25O C26O H26O 122.3 . . ?
C27O C26O H26O 122.3 . . ?
N32O C27O C28O 121.5(6) . . ?
N32O C27O C26O 114.6(6) . . ?
C28O C27O C26O 123.9(6) . . ?
C29O C28O C27O 118.7(6) . . ?
C29O C28O H28O 120.7 . . ?
C27O C28O H28O 120.7 . . ?
C30O C29O C28O 119.7(6) . . ?
C30O C29O H29O 120.1 . . ?
C28O C29O H29O 120.1 . . ?
C29O C30O C31O 119.2(6) . . ?
C29O C30O H30O 120.4 . . ?
C31O C30O H30O 120.4 . . ?
N32O C31O C30O 121.6(6) . . ?
N32O C31O H31O 119.2 . . ?
C30O C31O H31O 119.2 . . ?
C31O N32O C27O 119.2(6) . . ?
C31O N32O Cu16 128.7(5) . . ?
C27O N32O Cu16 112.1(4) . . ?
C7O N8O N9O 120.4(8) . . ?
C7O N8O Cu15 119.7(7) . . ?
N9O N8O Cu15 119.9(5) . . ?
C10O N9O N8O 109.3(7) . . ?
C23O N24O N25O 107.1(6) . . ?
C26O N25O N24O 120.6(7) . . ?
C26O N25O Cu16 118.9(6) . . ?
N24O N25O Cu16 120.5(5) . . ?
C10O O11O Cu15 110.5(5) . . ?
C23O O22O Cu16 110.5(5) . . ?
O21O S18O O19O 114.3(5) . . ?
O21O S18O O20O 112.1(5) . . ?
O19O S18O O20O 111.4(5) . . ?
O21O S18O C14O 107.2(4) . . ?
O19O S18O C14O 105.2(4) . . ?
O20O S18O C14O 105.9(4) . . ?
C2P N1P C6P 117.6(6) . . ?
C2P N1P Cu16 130.9(5) . . ?
C6P N1P Cu16 111.5(5) . . ?
N1P C2P C3P 123.1(7) . . ?
N1P C2P H2P 118.5 . . ?
C3P C2P H2P 118.5 . . ?
C4P C3P C2P 118.7(8) . . ?
C4P C3P H3P 120.6 . . ?
C2P C3P H3P 120.6 . . ?
C3P C4P C5P 119.7(7) . . ?
C3P C4P H4P 120.2 . . ?
C5P C4P H4P 120.2 . . ?
C4P C5P C6P 118.8(7) . . ?
C4P C5P H5P 120.6 . . ?
C6P C5P H5P 120.6 . . ?
N1P C6P C5P 122.1(7) . . ?
N1P C6P C7P 115.5(7) . . ?
C5P C6P C7P 122.4(7) . . ?
N8P C7P C6P 118.9(8) . . ?
N8P C7P H7P 120.5 . . ?
C6P C7P H7P 120.5 . . ?
O11P C10P N9P 122.6(10) . . ?
O11P C10P C12P 117.8(9) . . ?
N9P C10P C12P 119.6(8) . . ?
C17P C12P C13P 115.7(11) . . ?
C17P C12P C10P 119.6(8) . . ?
C13P C12P C10P 124.7(11) . . ?
C14P C13P C12P 124.3(12) . . ?
C14P C13P H13P 117.8 . . ?
C12P C13P H13P 117.8 . . ?
C13P C14P C15P 119.0(8) . . ?
C13P C14P S18P 121.5(9) . . ?
C15P C14P S18P 119.3(9) . . ?
C16P C15P C14P 119.9(12) . . ?
C16P C15P H15P 120.0 . . ?
C14P C15P H15P 120.0 . . ?
C15P C16P C17P 119.0(12) . . ?
C15P C16P C23P 124.9(11) . . ?
C17P C16P C23P 116.1(9) . . ?
C12P C17P C16P 122.0(9) . . ?
C12P C17P H17P 119.0 . . ?
C16P C17P H17P 119.0 . . ?
O22P C23P N24P 123.0(11) . . ?
O22P C23P C16P 117.4(10) . . ?
N24P C23P C16P 119.6(9) . . ?
N25P C26P C27P 118.5(12) . . ?
N25P C26P H26P 120.7 . . ?
C27P C26P H26P 120.7 . . ?
N32P C27P C26P 113.8(9) . . ?
N32P C27P C28P 120.4(8) . . ?
C26P C27P C28P 125.7(9) . . ?
C29P C28P C27P 119.2(8) . . ?
C29P C28P H28P 120.4 . . ?
C27P C28P H28P 120.4 . . ?
C30P C29P C28P 120.0(8) . . ?
C30P C29P H29P 120.0 . . ?
C28P C29P H29P 120.0 . . ?
C29P C30P C31P 118.8(8) . . ?
C29P C30P H30P 120.6 . . ?
C31P C30P H30P 120.6 . . ?
N32P C31P C30P 121.8(8) . . ?
N32P C31P H31P 119.1 . . ?
C30P C31P H31P 119.1 . . ?
C31P N32P C27P 119.8(7) . . ?
C31P N32P Cu13 128.4(6) . . ?
C27P N32P Cu13 111.7(6) . . ?
C7P N8P N9P 120.1(8) . . ?
C7P N8P Cu16 118.7(7) . . ?
N9P N8P Cu16 121.1(6) . . ?
C10P N9P N8P 112.6(8) . . ?
C23P N24P N25P 109.6(9) . . ?
C26P N25P N24P 126.7(11) . . ?
C26P N25P Cu13 116.4(10) . . ?
N24P N25P Cu13 116.9(7) . . ?
C10P O11P Cu16 111.5(7) . . ?
C23P O22P Cu13 111.2(7) . . ?
O20P S18P O19P 112.6(7) . . ?
O20P S18P O21P 110.4(7) . . ?
O19P S18P O21P 112.7(6) . . ?
O20P S18P C14P 106.4(5) . . ?
O19P S18P C14P 106.3(5) . . ?
O21P S18P C14P 108.1(6) . . ?
O1S C1S N1S 124.1 . . ?
O1S C1S H1S 117.9 . . ?
N1S C1S H1S 117.9 . . ?
N1S C2S H2S1 109.5 . . ?
N1S C2S H2S2 109.5 . . ?
H2S1 C2S H2S2 109.5 . . ?
N1S C2S H2S3 109.5 . . ?
H2S1 C2S H2S3 109.5 . . ?
H2S2 C2S H2S3 109.5 . . ?
N1S C3S H3S1 109.5 . . ?
N1S C3S H3S2 109.5 . . ?
H3S1 C3S H3S2 109.5 . . ?
N1S C3S H3S3 109.5 . . ?
H3S1 C3S H3S3 109.5 . . ?
H3S2 C3S H3S3 109.5 . . ?
C1S N1S C2S 121.1 . . ?
C1S N1S C3S 121.8 . . ?
C2S N1S C3S 117.0 . . ?
O1T C1T N1T 124.1 . . ?
O1T C1T H1T 117.9 . . ?
N1T C1T H1T 117.9 . . ?
N1T C2T H2T1 109.5 . . ?
N1T C2T H2T2 109.5 . . ?
H2T1 C2T H2T2 109.5 . . ?
N1T C2T H2T3 109.5 . . ?
H2T1 C2T H2T3 109.5 . . ?
H2T2 C2T H2T3 109.5 . . ?
N1T C3T H3T1 109.5 . . ?
N1T C3T H3T2 109.5 . . ?
H3T1 C3T H3T2 109.5 . . ?
N1T C3T H3T3 109.5 . . ?
H3T1 C3T H3T3 109.5 . . ?
H3T2 C3T H3T3 109.5 . . ?
C1T N1T C2T 121.1 . . ?
C1T N1T C3T 121.8 . . ?
C2T N1T C3T 117.0 . . ?
O2T C4T N2T 124.1 . . ?
O2T C4T H4T 117.9 . . ?
N2T C4T H4T 117.9 . . ?
N2T C5T H5T1 109.5 . . ?
N2T C5T H5T2 109.5 . . ?
H5T1 C5T H5T2 109.5 . . ?
N2T C5T H5T3 109.5 . . ?
H5T1 C5T H5T3 109.5 . . ?
H5T2 C5T H5T3 109.5 . . ?
N2T C6T H6T1 109.5 . . ?
N2T C6T H6T2 109.5 . . ?
H6T1 C6T H6T2 109.5 . . ?
N2T C6T H6T3 109.5 . . ?
H6T1 C6T H6T3 109.5 . . ?
H6T2 C6T H6T3 109.5 . . ?
C4T N2T C5T 121.1 . . ?
C4T N2T C6T 121.8 . . ?
C5T N2T C6T 117.1 . . ?
O1U C1U N1U 124.1 . . ?
O1U C1U H1U 117.9 . . ?
N1U C1U H1U 117.9 . . ?
N1U C2U H2U1 109.5 . . ?
N1U C2U H2U2 109.5 . . ?
H2U1 C2U H2U2 109.5 . . ?
N1U C2U H2U3 109.5 . . ?
H2U1 C2U H2U3 109.5 . . ?
H2U2 C2U H2U3 109.5 . . ?
N1U C3U H3U1 109.5 . . ?
N1U C3U H3U2 109.5 . . ?
H3U1 C3U H3U2 109.5 . . ?
N1U C3U H3U3 109.5 . . ?
H3U1 C3U H3U3 109.5 . . ?
H3U2 C3U H3U3 109.5 . . ?
C1U N1U C2U 121.1 . . ?
C1U N1U C3U 121.8 . . ?
C2U N1U C3U 117.1 . . ?
O2U C4U N2U 124.1 . . ?
O2U C4U H4U 117.9 . . ?
N2U C4U H4U 117.9 . . ?
N2U C5U H5U1 109.5 . . ?
N2U C5U H5U2 109.5 . . ?
H5U1 C5U H5U2 109.5 . . ?
N2U C5U H5U3 109.5 . . ?
H5U1 C5U H5U3 109.5 . . ?
H5U2 C5U H5U3 109.5 . . ?
N2U C6U H6U1 109.5 . . ?
N2U C6U H6U2 109.5 . . ?
H6U1 C6U H6U2 109.5 . . ?
N2U C6U H6U3 109.5 . . ?
H6U1 C6U H6U3 109.5 . . ?
H6U2 C6U H6U3 109.5 . . ?
C4U N2U C5U 121.1 . . ?
C4U N2U C6U 121.8 . . ?
C5U N2U C6U 117.0 . . ?
O40W O74W O34W 121(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6A N1A C2A C3A -0.3(7) . . . . ?
Cu1 N1A C2A C3A -178.2(6) . . . . ?
N1A C2A C3A C4A -0.5(9) . . . . ?
C2A C3A C4A C5A 0.1(14) . . . . ?
C3A C4A C5A C6A 0.9(15) . . . . ?
C2A N1A C6A C5A 1.4(11) . . . . ?
Cu1 N1A C6A C5A 179.8(7) . . . . ?
C2A N1A C6A C7A -178.3(6) . . . . ?
Cu1 N1A C6A C7A 0.0(8) . . . . ?
C4A C5A C6A N1A -1.8(14) . . . . ?
C4A C5A C6A C7A 178.0(9) . . . . ?
N1A C6A C7A N8A 1.9(11) . . . . ?
C5A C6A C7A N8A -177.8(8) . . . . ?
O11A C10A C12A C13A -177.4(6) . . . . ?
N9A C10A C12A C13A 5.6(6) . . . . ?
O11A C10A C12A C17A 2.3(6) . . . . ?
N9A C10A C12A C17A -174.6(6) . . . . ?
C17A C12A C13A C14A 0.3(8) . . . . ?
C10A C12A C13A C14A 180.0(6) . . . . ?
C12A C13A C14A C15A -0.2(11) . . . . ?
C12A C13A C14A S18A 172.3(5) . . . . ?
C13A C14A C15A C16A -0.1(12) . . . . ?
S18A C14A C15A C16A -173.0(6) . . . . ?
C14A C15A C16A C17A 0.3(12) . . . . ?
C14A C15A C16A C23A 177.0(7) . . . . ?
C15A C16A C17A C12A -0.2(10) . . . . ?
C23A C16A C17A C12A -176.5(6) . . . . ?
C13A C12A C17A C16A 0.0(8) . . . . ?
C10A C12A C17A C16A -179.8(5) . . . . ?
C17A C16A C23A O22A 153.5(8) . . . . ?
C15A C16A C23A O22A -22.9(11) . . . . ?
C17A C16A C23A N24A -24.8(11) . . . . ?
C15A C16A C23A N24A 158.8(7) . . . . ?
N25A C26A C27A N32A -1.0(8) . . . . ?
N25A C26A C27A C28A 179.8(8) . . . . ?
N32A C27A C28A C29A 1.3(10) . . . . ?
C26A C27A C28A C29A -179.5(7) . . . . ?
C27A C28A C29A C30A -2.2(13) . . . . ?
C28A C29A C30A C31A 1.9(15) . . . . ?
C29A C30A C31A N32A -0.8(15) . . . . ?
C30A C31A N32A C27A -0.1(13) . . . . ?
C30A C31A N32A Cu2 172.7(7) . . . . ?
C28A C27A N32A C31A -0.2(10) . . . . ?
C26A C27A N32A C31A -179.4(6) . . . . ?
C28A C27A N32A Cu2 -174.3(5) . . . . ?
C26A C27A N32A Cu2 6.5(6) . . . . ?
C6A C7A N8A N9A 179.2(6) . . . . ?
C6A C7A N8A Cu1 -3.2(10) . . . . ?
O11A C10A N9A N8A -0.5(9) . . . . ?
C12A C10A N9A N8A 176.5(5) . . . . ?
C7A N8A N9A C10A -177.2(6) . . . . ?
Cu1 N8A N9A C10A 5.2(8) . . . . ?
O22A C23A N24A N25A -0.8(13) . . . . ?
C16A C23A N24A N25A 177.4(7) . . . . ?
C27A C26A N25A N24A 176.4(6) . . . . ?
C27A C26A N25A Cu2 -5.1(8) . . . . ?
C23A N24A N25A C26A 7.3(12) . . . . ?
C23A N24A N25A Cu2 -171.1(6) . . . . ?
N9A C10A O11A Cu1 -3.6(8) . . . . ?
C12A C10A O11A Cu1 179.6(3) . . . . ?
C15A C14A S18A O20A -32.9(9) . . . . ?
C13A C14A S18A O20A 154.3(7) . . . . ?
C15A C14A S18A O21A -153.0(7) . . . . ?
C13A C14A S18A O21A 34.2(8) . . . . ?
C15A C14A S18A O19A 87.1(8) . . . . ?
C13A C14A S18A O19A -85.7(8) . . . . ?
C6B N1B C2B C3B 0.4(7) . . . . ?
Cu2 N1B C2B C3B 175.1(6) . . . . ?
N1B C2B C3B C4B -0.4(9) . . . . ?
C2B C3B C4B C5B 1.6(14) . . . . ?
C3B C4B C5B C6B -2.8(16) . . . . ?
C2B N1B C6B C5B -1.8(11) . . . . ?
Cu2 N1B C6B C5B -177.6(7) . . . . ?
C2B N1B C6B C7B -179.2(6) . . . . ?
Cu2 N1B C6B C7B 5.0(9) . . . . ?
C4B C5B C6B N1B 2.9(14) . . . . ?
C4B C5B C6B C7B -179.7(9) . . . . ?
N1B C6B C7B N8B -0.5(12) . . . . ?
C5B C6B C7B N8B -177.9(8) . . . . ?
O11B C10B C12B C13B -25.9(7) . . . . ?
N9B C10B C12B C13B 155.8(6) . . . . ?
O11B C10B C12B C17B 154.1(8) . . . . ?
N9B C10B C12B C17B -24.2(7) . . . . ?
C17B C12B C13B C14B -0.1(8) . . . . ?
C10B C12B C13B C14B 180.0(6) . . . . ?
C12B C13B C14B C15B -1.5(12) . . . . ?
C12B C13B C14B S18B 178.4(5) . . . . ?
C13B C14B C15B C16B 2.0(13) . . . . ?
S18B C14B C15B C16B -177.8(6) . . . . ?
C14B C15B C16B C17B -1.1(11) . . . . ?
C14B C15B C16B C23B 177.8(7) . . . . ?
C15B C16B C17B C12B -0.4(10) . . . . ?
C23B C16B C17B C12B -179.3(6) . . . . ?
C13B C12B C17B C16B 1.0(8) . . . . ?
C10B C12B C17B C16B -179.1(5) . . . . ?
C17B C16B C23B O22B 10.6(10) . . . . ?
C15B C16B C23B O22B -168.3(7) . . . . ?
C17B C16B C23B N24B -170.6(7) . . . . ?
C15B C16B C23B N24B 10.5(10) . . . . ?
N25B C26B C27B N32B -0.1(8) . . . . ?
N25B C26B C27B C28B 180.0(7) . . . . ?
N32B C27B C28B C29B -0.6(10) . . . . ?
C26B C27B C28B C29B 179.4(7) . . . . ?
C27B C28B C29B C30B 0.7(13) . . . . ?
C28B C29B C30B C31B 0.6(16) . . . . ?
C29B C30B C31B N32B -2.0(16) . . . . ?
C30B C31B N32B C27B 2.1(13) . . . . ?
C30B C31B N32B Cu3 178.8(7) . . . . ?
C28B C27B N32B C31B -0.8(10) . . . . ?
C26B C27B N32B C31B 179.2(6) . . . . ?
C28B C27B N32B Cu3 -178.2(5) . . . . ?
C26B C27B N32B Cu3 1.9(6) . . . . ?
C6B C7B N8B N9B 177.9(7) . . . . ?
C6B C7B N8B Cu2 -4.5(10) . . . . ?
O11B C10B N9B N8B -1.7(13) . . . . ?
C12B C10B N9B N8B 176.6(6) . . . . ?
C7B N8B N9B C10B 24.9(12) . . . . ?
Cu2 N8B N9B C10B -152.3(6) . . . . ?
O22B C23B N24B N25B 0.3(10) . . . . ?
C16B C23B N24B N25B -178.5(6) . . . . ?
C27B C26B N25B N24B 179.6(5) . . . . ?
C27B C26B N25B Cu3 -2.2(8) . . . . ?
C23B N24B N25B C26B 179.3(7) . . . . ?
C23B N24B N25B Cu3 1.0(9) . . . . ?
N24B C23B O22B Cu3 -1.2(9) . . . . ?
C16B C23B O22B Cu3 177.5(5) . . . . ?
C13B C14B S18B O19B 179.1(10) . . . . ?
C15B C14B S18B O19B -1.1(12) . . . . ?
C13B C14B S18B O21B -57.2(11) . . . . ?
C15B C14B S18B O21B 122.6(10) . . . . ?
C13B C14B S18B O20B 52.5(10) . . . . ?
C15B C14B S18B O20B -127.6(10) . . . . ?
C6C N1C C2C C3C 0.2(8) . . . . ?
Cu3 N1C C2C C3C 178.8(7) . . . . ?
N1C C2C C3C C4C -0.2(10) . . . . ?
C2C C3C C4C C5C 1.9(17) . . . . ?
C3C C4C C5C C6C -3.5(19) . . . . ?
C2C N1C C6C C5C -1.9(13) . . . . ?
Cu3 N1C C6C C5C 179.2(9) . . . . ?
C2C N1C C6C C7C 177.4(7) . . . . ?
Cu3 N1C C6C C7C -1.5(10) . . . . ?
C4C C5C C6C N1C 3.6(17) . . . . ?
C4C C5C C6C C7C -175.7(11) . . . . ?
N1C C6C C7C N8C -0.7(13) . . . . ?
C5C C6C C7C N8C 178.6(10) . . . . ?
O11C C10C C12C C17C -13.9(7) . . . . ?
N9C C10C C12C C17C 165.0(7) . . . . ?
O11C C10C C12C C13C 164.7(6) . . . . ?
N9C C10C C12C C13C -16.3(6) . . . . ?
C17C C12C C13C C14C -2.0(8) . . . . ?
C10C C12C C13C C14C 179.3(5) . . . . ?
C12C C13C C14C C15C 0.5(11) . . . . ?
C12C C13C C14C S18C -178.1(5) . . . . ?
C13C C14C C15C C16C 0.4(13) . . . . ?
S18C C14C C15C C16C 179.1(6) . . . . ?
C14C C15C C16C C17C 0.1(12) . . . . ?
C14C C15C C16C C23C -178.0(7) . . . . ?
C13C C12C C17C C16C 2.6(9) . . . . ?
C10C C12C C17C C16C -178.7(6) . . . . ?
C15C C16C C17C C12C -1.6(11) . . . . ?
C23C C16C C17C C12C 176.5(6) . . . . ?
C17C C16C C23C O22C 2.2(11) . . . . ?
C15C C16C C23C O22C -179.8(7) . . . . ?
C17C C16C C23C N24C -176.9(7) . . . . ?
C15C C16C C23C N24C 1.1(11) . . . . ?
N25C C26C C27C N32C 1.9(8) . . . . ?
N25C C26C C27C C28C -178.8(9) . . . . ?
N32C C27C C28C C29C -1.2(12) . . . . ?
C26C C27C C28C C29C 179.6(8) . . . . ?
C27C C28C C29C C30C 1.1(15) . . . . ?
C28C C29C C30C C31C -1.3(16) . . . . ?
C29C C30C C31C N32C 1.7(15) . . . . ?
C30C C31C N32C C27C -1.8(13) . . . . ?
C30C C31C N32C Cu4 178.4(7) . . . . ?
C28C C27C N32C C31C 1.6(11) . . . . ?
C26C C27C N32C C31C -179.2(7) . . . . ?
C28C C27C N32C Cu4 -178.6(6) . . . . ?
C26C C27C N32C Cu4 0.7(6) . . . . ?
C6C C7C N8C N9C 179.5(8) . . . . ?
C6C C7C N8C Cu3 2.8(12) . . . . ?
O11C C10C N9C N8C 1.3(11) . . . . ?
C12C C10C N9C N8C -177.5(5) . . . . ?
C7C N8C N9C C10C 177.3(8) . . . . ?
Cu3 N8C N9C C10C -6.1(9) . . . . ?
O22C C23C N24C N25C 0.5(11) . . . . ?
C16C C23C N24C N25C 179.6(7) . . . . ?
C27C C26C N25C N24C 178.5(7) . . . . ?
C27C C26C N25C Cu4 -3.8(10) . . . . ?
C23C N24C N25C C26C -179.6(9) . . . . ?
C23C N24C N25C Cu4 2.7(9) . . . . ?
N9C C10C O11C Cu3 3.4(9) . . . . ?
C12C C10C O11C Cu3 -177.7(3) . . . . ?
N24C C23C O22C Cu4 -3.2(10) . . . . ?
C16C C23C O22C Cu4 177.8(5) . . . . ?
C15C C14C S18C O20C -29.0(10) . . . . ?
C13C C14C S18C O20C 149.7(9) . . . . ?
C15C C14C S18C O21C -154.8(8) . . . . ?
C13C C14C S18C O21C 23.9(9) . . . . ?
C15C C14C S18C O19C 84.3(11) . . . . ?
C13C C14C S18C O19C -97.0(10) . . . . ?
C6D N1D C2D C3D 0.1(7) . . . . ?
Cu4 N1D C2D C3D -162.0(6) . . . . ?
N1D C2D C3D C4D 0.3(8) . . . . ?
C2D C3D C4D C5D -0.3(12) . . . . ?
C3D C4D C5D C6D 0.1(13) . . . . ?
C2D N1D C6D C5D -0.4(10) . . . . ?
Cu4 N1D C6D C5D 165.7(6) . . . . ?
C2D N1D C6D C7D 178.6(5) . . . . ?
Cu4 N1D C6D C7D -15.4(7) . . . . ?
C4D C5D C6D N1D 0.3(12) . . . . ?
C4D C5D C6D C7D -178.6(7) . . . . ?
N1D C6D C7D N8D 9.0(10) . . . . ?
C5D C6D C7D N8D -172.0(7) . . . . ?
O11D C10D C12D C13D -163.5(6) . . . . ?
N9D C10D C12D C13D 16.7(6) . . . . ?
O11D C10D C12D C17D 14.2(7) . . . . ?
N9D C10D C12D C17D -165.6(6) . . . . ?
C17D C12D C13D C14D 2.9(7) . . . . ?
C10D C12D C13D C14D -179.5(5) . . . . ?
C12D C13D C14D C15D 0.8(10) . . . . ?
C12D C13D C14D S18D -174.9(4) . . . . ?
C13D C14D C15D C16D -2.8(12) . . . . ?
S18D C14D C15D C16D 172.9(6) . . . . ?
C14D C15D C16D C17D 1.1(11) . . . . ?
C14D C15D C16D C23D 180.0(7) . . . . ?
C13D C12D C17D C16D -4.7(8) . . . . ?
C10D C12D C17D C16D 177.5(5) . . . . ?
C15D C16D C17D C12D 2.7(10) . . . . ?
C23D C16D C17D C12D -176.3(6) . . . . ?
C15D C16D C23D O22D 171.8(7) . . . . ?
C17D C16D C23D O22D -9.2(10) . . . . ?
C15D C16D C23D N24D -7.0(11) . . . . ?
C17D C16D C23D N24D 172.0(6) . . . . ?
N25D C26D C27D N32D -4.2(7) . . . . ?
N25D C26D C27D C28D 175.7(7) . . . . ?
N32D C27D C28D C29D 0.4(10) . . . . ?
C26D C27D C28D C29D -179.4(7) . . . . ?
C27D C28D C29D C30D -1.3(14) . . . . ?
C28D C29D C30D C31D 2.0(16) . . . . ?
C29D C30D C31D N32D -1.9(16) . . . . ?
C30D C31D N32D C27D 1.0(13) . . . . ?
C30D C31D N32D Cu1 178.0(8) . . . . ?
C28D C27D N32D C31D -0.2(10) . . . . ?
C26D C27D N32D C31D 179.6(6) . . . . ?
C28D C27D N32D Cu1 -177.7(5) . . . . ?
C26D C27D N32D Cu1 2.2(6) . . . . ?
C6D C7D N8D N9D -179.2(6) . . . . ?
C6D C7D N8D Cu4 4.4(9) . . . . ?
O11D C10D N9D N8D 0.7(9) . . . . ?
C12D C10D N9D N8D -179.5(4) . . . . ?
C7D N8D N9D C10D -173.2(6) . . . . ?
Cu4 N8D N9D C10D 3.2(8) . . . . ?
O22D C23D N24D N25D 3.7(10) . . . . ?
C16D C23D N24D N25D -177.6(6) . . . . ?
C27D C26D N25D N24D -178.1(5) . . . . ?
C27D C26D N25D Cu1 4.3(7) . . . . ?
C23D N24D N25D C26D 176.8(7) . . . . ?
C23D N24D N25D Cu1 -5.5(7) . . . . ?
N9D C10D O11D Cu4 -3.5(8) . . . . ?
C12D C10D O11D Cu4 176.7(3) . . . . ?
N24D C23D O22D Cu1 -0.2(9) . . . . ?
C16D C23D O22D Cu1 -179.0(5) . . . . ?
C15D C14D S18D O19D -79.3(8) . . . . ?
C13D C14D S18D O19D 96.5(8) . . . . ?
C15D C14D S18D O20D 155.4(7) . . . . ?
C13D C14D S18D O20D -28.9(8) . . . . ?
C15D C14D S18D O21D 39.5(8) . . . . ?
C13D C14D S18D O21D -144.8(7) . . . . ?
C6E N1E C2E C3E -0.8(7) . . . . ?
Cu5 N1E C2E C3E 169.2(6) . . . . ?
N1E C2E C3E C4E 1.3(9) . . . . ?
C2E C3E C4E C5E -0.7(13) . . . . ?
C3E C4E C5E C6E -0.3(14) . . . . ?
C2E N1E C6E C5E -0.2(11) . . . . ?
Cu5 N1E C6E C5E -171.9(7) . . . . ?
C2E N1E C6E C7E 176.0(6) . . . . ?
Cu5 N1E C6E C7E 4.3(9) . . . . ?
C4E C5E C6E N1E 0.7(13) . . . . ?
C4E C5E C6E C7E -175.1(9) . . . . ?
N1E C6E C7E N8E -5.0(13) . . . . ?
C5E C6E C7E N8E 171.1(9) . . . . ?
O11E C10E C12E C17E -10.3(7) . . . . ?
N9E C10E C12E C17E 172.9(8) . . . . ?
O11E C10E C12E C13E 171.9(7) . . . . ?
N9E C10E C12E C13E -4.9(7) . . . . ?
C17E C12E C13E C14E 1.6(8) . . . . ?
C10E C12E C13E C14E 179.4(6) . . . . ?
C12E C13E C14E C15E 1.8(12) . . . . ?
C12E C13E C14E S18E 179.8(5) . . . . ?
C13E C14E C15E C16E -3.2(14) . . . . ?
S18E C14E C15E C16E 178.9(7) . . . . ?
C14E C15E C16E C17E 1.1(13) . . . . ?
C14E C15E C16E C23E 177.6(8) . . . . ?
C13E C12E C17E C16E -3.8(9) . . . . ?
C10E C12E C17E C16E 178.3(6) . . . . ?
C15E C16E C17E C12E 2.5(11) . . . . ?
C23E C16E C17E C12E -174.3(7) . . . . ?
C17E C16E C23E O22E 8.9(12) . . . . ?
C15E C16E C23E O22E -167.8(8) . . . . ?
C17E C16E C23E N24E -172.7(7) . . . . ?
C15E C16E C23E N24E 10.6(13) . . . . ?
N25E C26E C27E N32E -3.6(10) . . . . ?
N25E C26E C27E C28E 176.1(10) . . . . ?
N32E C27E C28E C29E 0.1(14) . . . . ?
C26E C27E C28E C29E -179.5(10) . . . . ?
C27E C28E C29E C30E -2(2) . . . . ?
C28E C29E C30E C31E 1(2) . . . . ?
C29E C30E C31E N32E 0(2) . . . . ?
C30E C31E N32E C27E -2(2) . . . . ?
C30E C31E N32E Cu6 178.3(10) . . . . ?
C28E C27E N32E C31E 1.6(15) . . . . ?
C26E C27E N32E C31E -178.8(9) . . . . ?
C28E C27E N32E Cu6 -178.5(7) . . . . ?
C26E C27E N32E Cu6 1.1(7) . . . . ?
C6E C7E N8E N9E -177.0(8) . . . . ?
C6E C7E N8E Cu5 3.1(12) . . . . ?
O11E C10E N9E N8E 2.3(12) . . . . ?
C12E C10E N9E N8E 178.9(6) . . . . ?
C7E N8E N9E C10E 170.0(9) . . . . ?
Cu5 N8E N9E C10E -10.2(10) . . . . ?
O22E C23E N24E N25E 1.2(13) . . . . ?
C16E C23E N24E N25E -177.2(7) . . . . ?
C27E C26E N25E N24E -180.0(7) . . . . ?
C27E C26E N25E Cu6 4.5(11) . . . . ?
C23E N24E N25E C26E 178.3(9) . . . . ?
C23E N24E N25E Cu6 -6.1(11) . . . . ?
N9E C10E O11E Cu5 5.4(10) . . . . ?
C12E C10E O11E Cu5 -171.2(3) . . . . ?
N24E C23E O22E Cu6 3.5(10) . . . . ?
C16E C23E O22E Cu6 -178.1(6) . . . . ?
C15E C14E S18E O21E -115.8(10) . . . . ?
C13E C14E S18E O21E 66.2(10) . . . . ?
C15E C14E S18E O19E 115.9(11) . . . . ?
C13E C14E S18E O19E -62.1(10) . . . . ?
C15E C14E S18E O20E 3.2(12) . . . . ?
C13E C14E S18E O20E -174.8(10) . . . . ?
C6F N1F C2F C3F -0.1(8) . . . . ?
Cu6 N1F C2F C3F -179.7(7) . . . . ?
N1F C2F C3F C4F -1.5(10) . . . . ?
C2F C3F C4F C5F 1.8(16) . . . . ?
C3F C4F C5F C6F -0.6(19) . . . . ?
C2F N1F C6F C5F 1.4(14) . . . . ?
Cu6 N1F C6F C5F -179.0(10) . . . . ?
C2F N1F C6F C7F -177.5(8) . . . . ?
Cu6 N1F C6F C7F 2.1(12) . . . . ?
C4F C5F C6F N1F -1.0(18) . . . . ?
C4F C5F C6F C7F 177.7(12) . . . . ?
N1F C6F C7F N8F -0.4(17) . . . . ?
C5F C6F C7F N8F -179.2(12) . . . . ?
O11F C10F C12F C13F -165.2(7) . . . . ?
N9F C10F C12F C13F 15.6(8) . . . . ?
O11F C10F C12F C17F 15.1(8) . . . . ?
N9F C10F C12F C17F -164.1(9) . . . . ?
C17F C12F C13F C14F -1.2(8) . . . . ?
C10F C12F C13F C14F 179.1(6) . . . . ?
C12F C13F C14F C15F 1.2(12) . . . . ?
C12F C13F C14F S18F 179.3(5) . . . . ?
C13F C14F C15F C16F -1.2(14) . . . . ?
S18F C14F C15F C16F -179.4(7) . . . . ?
C14F C15F C16F C17F 1.1(13) . . . . ?
C14F C15F C16F C23F 179.9(8) . . . . ?
C13F C12F C17F C16F 1.2(10) . . . . ?
C10F C12F C17F C16F -179.1(6) . . . . ?
C15F C16F C17F C12F -1.2(12) . . . . ?
C23F C16F C17F C12F 180.0(7) . . . . ?
C15F C16F C23F O22F 173.6(8) . . . . ?
C17F C16F C23F O22F -7.5(12) . . . . ?
C15F C16F C23F N24F -3.9(12) . . . . ?
C17F C16F C23F N24F 174.9(7) . . . . ?
N25F C26F C27F N32F -9.6(8) . . . . ?
N25F C26F C27F C28F 171.8(8) . . . . ?
N32F C27F C28F C29F 4.3(11) . . . . ?
C26F C27F C28F C29F -177.2(7) . . . . ?
C27F C28F C29F C30F -2.3(15) . . . . ?
C28F C29F C30F C31F 0.0(18) . . . . ?
C29F C30F C31F N32F 0.6(19) . . . . ?
C30F C31F N32F C27F 1.2(16) . . . . ?
C30F C31F N32F Cu7 168.5(8) . . . . ?
C28F C27F N32F C31F -3.7(12) . . . . ?
C26F C27F N32F C31F 177.7(7) . . . . ?
C28F C27F N32F Cu7 -173.4(5) . . . . ?
C26F C27F N32F Cu7 8.0(6) . . . . ?
C6F C7F N8F N9F 175.8(10) . . . . ?
C6F C7F N8F Cu6 -1.9(17) . . . . ?
O11F C10F N9F N8F 0.1(14) . . . . ?
C12F C10F N9F N8F 179.2(7) . . . . ?
C7F N8F N9F C10F -177.3(12) . . . . ?
Cu6 N8F N9F C10F 0.5(12) . . . . ?
O22F C23F N24F N25F 3.4(11) . . . . ?
C16F C23F N24F N25F -179.1(7) . . . . ?
C27F C26F N25F N24F -175.4(6) . . . . ?
C27F C26F N25F Cu7 6.0(9) . . . . ?
C23F N24F N25F C26F 173.3(7) . . . . ?
C23F N24F N25F Cu7 -8.2(9) . . . . ?
N9F C10F O11F Cu6 -0.6(12) . . . . ?
C12F C10F O11F Cu6 -179.7(4) . . . . ?
N24F C23F O22F Cu7 1.9(9) . . . . ?
C16F C23F O22F Cu7 -175.5(6) . . . . ?
C15F C14F S18F O20F 164.8(8) . . . . ?
C13F C14F S18F O20F -13.4(9) . . . . ?
C15F C14F S18F O19F -76.2(9) . . . . ?
C13F C14F S18F O19F 105.6(8) . . . . ?
C15F C14F S18F O21F 43.0(9) . . . . ?
C13F C14F S18F O21F -135.2(8) . . . . ?
C6G N1G C2G C3G -0.3(8) . . . . ?
Cu7 N1G C2G C3G -179.3(8) . . . . ?
N1G C2G C3G C4G 0.2(10) . . . . ?
C2G C3G C4G C5G -0.2(17) . . . . ?
C3G C4G C5G C6G 0(2) . . . . ?
C2G N1G C6G C5G 0.4(14) . . . . ?
Cu7 N1G C6G C5G 179.5(9) . . . . ?
C2G N1G C6G C7G 177.9(8) . . . . ?
Cu7 N1G C6G C7G -3.0(11) . . . . ?
C4G C5G C6G N1G -0.3(18) . . . . ?
C4G C5G C6G C7G -177.5(12) . . . . ?
N1G C6G C7G N8G 1.3(15) . . . . ?
C5G C6G C7G N8G 178.6(11) . . . . ?
O11G C10G C12G C13G -163.8(7) . . . . ?
N9G C10G C12G C13G 9.8(7) . . . . ?
O11G C10G C12G C17G 15.5(7) . . . . ?
N9G C10G C12G C17G -170.8(7) . . . . ?
C17G C12G C13G C14G -0.4(9) . . . . ?
C10G C12G C13G C14G 179.0(6) . . . . ?
C12G C13G C14G C15G 2.3(12) . . . . ?
C12G C13G C14G S18G -175.8(5) . . . . ?
C13G C14G C15G C16G -2.2(14) . . . . ?
S18G C14G C15G C16G 176.0(7) . . . . ?
C14G C15G C16G C17G 0.2(13) . . . . ?
C14G C15G C16G C23G -176.8(8) . . . . ?
C15G C16G C17G C12G 1.8(11) . . . . ?
C23G C16G C17G C12G 178.7(6) . . . . ?
C13G C12G C17G C16G -1.7(9) . . . . ?
C10G C12G C17G C16G 178.9(6) . . . . ?
C17G C16G C23G O22G -13.4(11) . . . . ?
C15G C16G C23G O22G 163.5(7) . . . . ?
C17G C16G C23G N24G 168.2(7) . . . . ?
C15G C16G C23G N24G -14.9(11) . . . . ?
N25G C26G C27G N32G -0.5(7) . . . . ?
N25G C26G C27G C28G 178.1(7) . . . . ?
N32G C27G C28G C29G -0.4(10) . . . . ?
C26G C27G C28G C29G -179.0(7) . . . . ?
C27G C28G C29G C30G -5.0(15) . . . . ?
C28G C29G C30G C31G 5.3(18) . . . . ?
C29G C30G C31G N32G -0.1(17) . . . . ?
C30G C31G N32G C27G -5.2(13) . . . . ?
C30G C31G N32G Cu8 173.6(8) . . . . ?
C28G C27G N32G C31G 5.5(10) . . . . ?
C26G C27G N32G C31G -175.9(6) . . . . ?
C28G C27G N32G Cu8 -173.5(5) . . . . ?
C26G C27G N32G Cu8 5.1(6) . . . . ?
C6G C7G N8G N9G -179.6(9) . . . . ?
C6G C7G N8G Cu7 1.3(13) . . . . ?
O11G C10G N9G N8G -5.5(11) . . . . ?
C12G C10G N9G N8G -178.4(5) . . . . ?
C7G N8G N9G C10G 179.7(9) . . . . ?
Cu7 N8G N9G C10G -1.2(9) . . . . ?
O22G C23G N24G N25G -2.4(11) . . . . ?
C16G C23G N24G N25G 175.9(6) . . . . ?
C27G C26G N25G N24G 174.3(5) . . . . ?
C27G C26G N25G Cu8 -5.2(8) . . . . ?
C23G N24G N25G C26G -176.8(7) . . . . ?
C23G N24G N25G Cu8 2.7(8) . . . . ?
N9G C10G O11G Cu7 8.9(10) . . . . ?
C12G C10G O11G Cu7 -178.1(3) . . . . ?
N24G C23G O22G Cu8 1.1(9) . . . . ?
C16G C23G O22G Cu8 -177.1(5) . . . . ?
C15G C14G S18G O20G 169.4(9) . . . . ?
C13G C14G S18G O20G -12.4(11) . . . . ?
C15G C14G S18G O19G -65.1(10) . . . . ?
C13G C14G S18G O19G 113.1(10) . . . . ?
C15G C14G S18G O21G 51.6(10) . . . . ?
C13G C14G S18G O21G -130.2(9) . . . . ?
C6H N1H C2H C3H 0.2(6) . . . . ?
Cu8 N1H C2H C3H 179.2(5) . . . . ?
N1H C2H C3H C4H -0.6(8) . . . . ?
C2H C3H C4H C5H 0.9(12) . . . . ?
C3H C4H C5H C6H -0.9(13) . . . . ?
C2H N1H C6H C5H -0.2(9) . . . . ?
Cu8 N1H C6H C5H -179.4(6) . . . . ?
C2H N1H C6H C7H -179.5(5) . . . . ?
Cu8 N1H C6H C7H 1.4(7) . . . . ?
C4H C5H C6H N1H 0.5(12) . . . . ?
C4H C5H C6H C7H 179.7(8) . . . . ?
N1H C6H C7H N8H 0.3(10) . . . . ?
C5H C6H C7H N8H -179.0(7) . . . . ?
O11H C10H C12H C17H -6.3(6) . . . . ?
N9H C10H C12H C17H 175.5(6) . . . . ?
O11H C10H C12H C13H 174.5(6) . . . . ?
N9H C10H C12H C13H -3.7(6) . . . . ?
C17H C12H C13H C14H 2.0(7) . . . . ?
C10H C12H C13H C14H -178.7(6) . . . . ?
C12H C13H C14H C15H -1.9(11) . . . . ?
C12H C13H C14H S18H 177.9(5) . . . . ?
C13H C14H C15H C16H 1.3(12) . . . . ?
S18H C14H C15H C16H -178.5(6) . . . . ?
C14H C15H C16H C17H -0.9(11) . . . . ?
C14H C15H C16H C23H 178.3(7) . . . . ?
C15H C16H C17H C12H 1.2(11) . . . . ?
C23H C16H C17H C12H -178.1(6) . . . . ?
C13H C12H C17H C16H -1.7(9) . . . . ?
C10H C12H C17H C16H 179.0(6) . . . . ?
C17H C16H C23H O22H 7.7(11) . . . . ?
C15H C16H C23H O22H -171.6(8) . . . . ?
C17H C16H C23H N24H -173.8(7) . . . . ?
C15H C16H C23H N24H 6.9(12) . . . . ?
N25H C26H C27H N32H -2.5(9) . . . . ?
N25H C26H C27H C28H 177.9(9) . . . . ?
N32H C27H C28H C29H -0.2(12) . . . . ?
C26H C27H C28H C29H 179.3(8) . . . . ?
C27H C28H C29H C30H 0.9(17) . . . . ?
C28H C29H C30H C31H -1(2) . . . . ?
C29H C30H C31H N32H 1(2) . . . . ?
C30H C31H N32H C27H -0.3(17) . . . . ?
C30H C31H N32H Cu5 177.8(9) . . . . ?
C28H C27H N32H C31H -0.1(12) . . . . ?
C26H C27H N32H C31H -179.6(8) . . . . ?
C28H C27H N32H Cu5 -178.5(6) . . . . ?
C26H C27H N32H Cu5 1.9(6) . . . . ?
C6H C7H N8H N9H 178.9(6) . . . . ?
C6H C7H N8H Cu8 -2.1(9) . . . . ?
O11H C10H N9H N8H -0.6(9) . . . . ?
C12H C10H N9H N8H 177.4(4) . . . . ?
C7H N8H N9H C10H -178.7(6) . . . . ?
Cu8 N8H N9H C10H 2.4(8) . . . . ?
O22H C23H N24H N25H -0.6(12) . . . . ?
C16H C23H N24H N25H -179.0(7) . . . . ?
C27H C26H N25H N24H -179.0(7) . . . . ?
C27H C26H N25H Cu5 1.7(10) . . . . ?
C23H N24H N25H C26H 179.6(8) . . . . ?
C23H N24H N25H Cu5 -1.1(9) . . . . ?
N9H C10H O11H Cu8 -1.1(8) . . . . ?
C12H C10H O11H Cu8 -179.0(3) . . . . ?
N24H C23H O22H Cu5 1.8(11) . . . . ?
C16H C23H O22H Cu5 -179.8(5) . . . . ?
C15H C14H S18H O21H 54.5(9) . . . . ?
C13H C14H S18H O21H -125.3(8) . . . . ?
C15H C14H S18H O20H 176.2(8) . . . . ?
C13H C14H S18H O20H -3.6(9) . . . . ?
C15H C14H S18H O19H -66.3(9) . . . . ?
C13H C14H S18H O19H 113.8(8) . . . . ?
C6I N1I C2I C3I 0.9(8) . . . . ?
Cu9 N1I C2I C3I -176.3(8) . . . . ?
N1I C2I C3I C4I 1.7(11) . . . . ?
C2I C3I C4I C5I -4.0(19) . . . . ?
C3I C4I C5I C6I 4(2) . . . . ?
C2I N1I C6I C5I -1.1(16) . . . . ?
Cu9 N1I C6I C5I 176.7(11) . . . . ?
C2I N1I C6I C7I 179.7(8) . . . . ?
Cu9 N1I C6I C7I -2.5(12) . . . . ?
C4I C5I C6I N1I -1(2) . . . . ?
C4I C5I C6I C7I 177.9(13) . . . . ?
N1I C6I C7I N8I -2.5(17) . . . . ?
C5I C6I C7I N8I 178.3(12) . . . . ?
O11I C10I C12I C13I -163.0(9) . . . . ?
N9I C10I C12I C13I 12.1(9) . . . . ?
O11I C10I C12I C17I 17.7(10) . . . . ?
N9I C10I C12I C17I -167.1(10) . . . . ?
C17I C12I C13I C14I -1.0(10) . . . . ?
C10I C12I C13I C14I 179.7(8) . . . . ?
C12I C13I C14I C15I -2.3(16) . . . . ?
C12I C13I C14I S18I -179.7(7) . . . . ?
C13I C14I C15I C16I 4(2) . . . . ?
S18I C14I C15I C16I -178.2(10) . . . . ?
C14I C15I C16I C17I -3.2(18) . . . . ?
C14I C15I C16I C23I 176.1(11) . . . . ?
C15I C16I C17I C12I -0.1(15) . . . . ?
C23I C16I C17I C12I -179.4(8) . . . . ?
C13I C12I C17I C16I 2.1(11) . . . . ?
C10I C12I C17I C16I -178.6(7) . . . . ?
C17I C16I C23I O22I 150.9(11) . . . . ?
C15I C16I C23I O22I -28.4(15) . . . . ?
C17I C16I C23I N24I -24.9(15) . . . . ?
C15I C16I C23I N24I 155.8(10) . . . . ?
N25I C26I C27I N32I 3.0(10) . . . . ?
N25I C26I C27I C28I -177.8(10) . . . . ?
N32I C27I C28I C29I -1.5(11) . . . . ?
C26I C27I C28I C29I 179.3(7) . . . . ?
C27I C28I C29I C30I 0.8(13) . . . . ?
C28I C29I C30I C31I -1.2(15) . . . . ?
C29I C30I C31I N32I 2.5(18) . . . . ?
C30I C31I N32I C27I -3.1(17) . . . . ?
C30I C31I N32I Cu10 -178.7(9) . . . . ?
C28I C27I N32I C31I 2.7(13) . . . . ?
C26I C27I N32I C31I -178.1(8) . . . . ?
C28I C27I N32I Cu10 179.2(6) . . . . ?
C26I C27I N32I Cu10 -1.6(8) . . . . ?
C6I C7I N8I N9I -176.6(10) . . . . ?
C6I C7I N8I Cu9 7.2(15) . . . . ?
O11I C10I N9I N8I 1.9(17) . . . . ?
C12I C10I N9I N8I -173.2(8) . . . . ?
C7I N8I N9I C10I -176.4(11) . . . . ?
Cu9 N8I N9I C10I -0.1(14) . . . . ?
O22I C23I N24I N25I 1.3(17) . . . . ?
C16I C23I N24I N25I 176.9(9) . . . . ?
C27I C26I N25I N24I 177.6(7) . . . . ?
C27I C26I N25I Cu10 -2.7(11) . . . . ?
C23I N24I N25I C26I 15.2(16) . . . . ?
C23I N24I N25I Cu10 -164.5(8) . . . . ?
N9I C10I O11I Cu9 -2.4(13) . . . . ?
C12I C10I O11I Cu9 172.6(5) . . . . ?
C15I C14I S18I O21I 146.1(14) . . . . ?
C13I C14I S18I O21I -36.4(15) . . . . ?
C15I C14I S18I O19I 24.3(15) . . . . ?
C13I C14I S18I O19I -158.3(12) . . . . ?
C15I C14I S18I O20I -94.8(15) . . . . ?
C13I C14I S18I O20I 82.6(14) . . . . ?
C6J N1J C2J C3J -0.1(8) . . . . ?
Cu10 N1J C2J C3J 178.7(8) . . . . ?
N1J C2J C3J C4J 0.3(10) . . . . ?
C2J C3J C4J C5J -0.3(16) . . . . ?
C3J C4J C5J C6J 0.2(18) . . . . ?
C2J N1J C6J C5J -0.1(14) . . . . ?
Cu10 N1J C6J C5J -179.1(9) . . . . ?
C2J N1J C6J C7J -179.8(8) . . . . ?
Cu10 N1J C6J C7J 1.2(13) . . . . ?
C4J C5J C6J N1J 0.0(17) . . . . ?
C4J C5J C6J C7J 179.7(11) . . . . ?
N1J C6J C7J N8J 0.5(16) . . . . ?
C5J C6J C7J N8J -179.2(10) . . . . ?
O11J C10J C12J C17J 149.7(10) . . . . ?
N9J C10J C12J C17J -20.1(9) . . . . ?
O11J C10J C12J C13J -31.9(9) . . . . ?
N9J C10J C12J C13J 158.3(8) . . . . ?
C17J C12J C13J C14J -1.6(8) . . . . ?
C10J C12J C13J C14J 179.9(6) . . . . ?
C12J C13J C14J C15J -0.7(12) . . . . ?
C12J C13J C14J S18J -178.7(5) . . . . ?
C13J C14J C15J C16J 1.6(14) . . . . ?
S18J C14J C15J C16J 179.6(7) . . . . ?
C14J C15J C16J C17J -0.1(13) . . . . ?
C14J C15J C16J C23J 179.9(8) . . . . ?
C15J C16J C17J C12J -2.4(13) . . . . ?
C23J C16J C17J C12J 177.6(7) . . . . ?
C13J C12J C17J C16J 3.1(10) . . . . ?
C10J C12J C17J C16J -178.4(6) . . . . ?
C17J C16J C23J O22J 5.7(13) . . . . ?
C15J C16J C23J O22J -174.3(9) . . . . ?
C17J C16J C23J N24J -173.4(8) . . . . ?
C15J C16J C23J N24J 6.6(14) . . . . ?
N25J C26J C27J N32J 4.5(8) . . . . ?
N25J C26J C27J C28J -175.9(8) . . . . ?
N32J C27J C28J C29J -2.2(10) . . . . ?
C26J C27J C28J C29J 178.3(7) . . . . ?
C27J C28J C29J C30J 1.9(13) . . . . ?
C28J C29J C30J C31J -1.5(16) . . . . ?
C29J C30J C31J N32J 1.5(16) . . . . ?
C30J C31J N32J C27J -1.7(14) . . . . ?
C30J C31J N32J Cu11 -177.1(7) . . . . ?
C28J C27J N32J C31J 2.1(11) . . . . ?
C26J C27J N32J C31J -178.4(7) . . . . ?
C28J C27J N32J Cu11 178.4(5) . . . . ?
C26J C27J N32J Cu11 -2.1(6) . . . . ?
C6J C7J N8J N9J 178.9(9) . . . . ?
C6J C7J N8J Cu10 -2.0(13) . . . . ?
O11J C10J N9J N8J 2.8(17) . . . . ?
C12J C10J N9J N8J 172.0(8) . . . . ?
C7J N8J N9J C10J 17.4(16) . . . . ?
Cu10 N8J N9J C10J -161.6(8) . . . . ?
O22J C23J N24J N25J -0.9(14) . . . . ?
C16J C23J N24J N25J 178.2(8) . . . . ?
C27J C26J N25J N24J 174.5(7) . . . . ?
C27J C26J N25J Cu11 -4.9(9) . . . . ?
C23J N24J N25J C26J -178.3(8) . . . . ?
C23J N24J N25J Cu11 1.1(11) . . . . ?
N24J C23J O22J Cu11 0.2(11) . . . . ?
C16J C23J O22J Cu11 -178.9(6) . . . . ?
C15J C14J S18J O20J 129.9(11) . . . . ?
C13J C14J S18J O20J -52.0(11) . . . . ?
C15J C14J S18J O19J -107.0(10) . . . . ?
C13J C14J S18J O19J 71.1(11) . . . . ?
C15J C14J S18J O21J 13.0(11) . . . . ?
C13J C14J S18J O21J -168.9(9) . . . . ?
C6K N1K C2K C3K -1.7(7) . . . . ?
Cu11 N1K C2K C3K -179.0(6) . . . . ?
N1K C2K C3K C4K 1.1(8) . . . . ?
C2K C3K C4K C5K -1.3(13) . . . . ?
C3K C4K C5K C6K 2.1(14) . . . . ?
C2K N1K C6K C5K 2.6(11) . . . . ?
Cu11 N1K C6K C5K -179.6(7) . . . . ?
C2K N1K C6K C7K 175.9(6) . . . . ?
Cu11 N1K C6K C7K -6.3(8) . . . . ?
C4K C5K C6K N1K -2.8(14) . . . . ?
C4K C5K C6K C7K -175.4(9) . . . . ?
N1K C6K C7K N8K 1.2(11) . . . . ?
C5K C6K C7K N8K 174.3(8) . . . . ?
O11K C10K C12K C17K -3.5(7) . . . . ?
N9K C10K C12K C17K 172.4(7) . . . . ?
O11K C10K C12K C13K 175.2(6) . . . . ?
N9K C10K C12K C13K -8.9(7) . . . . ?
C17K C12K C13K C14K -1.5(8) . . . . ?
C10K C12K C13K C14K 179.8(6) . . . . ?
C12K C13K C14K C15K 0.1(12) . . . . ?
C12K C13K C14K S18K 179.4(5) . . . . ?
C13K C14K C15K C16K 0.1(14) . . . . ?
S18K C14K C15K C16K -179.2(7) . . . . ?
C14K C15K C16K C17K 1.3(13) . . . . ?
C14K C15K C16K C23K -178.8(8) . . . . ?
C15K C16K C17K C12K -2.9(13) . . . . ?
C23K C16K C17K C12K 177.3(7) . . . . ?
C13K C12K C17K C16K 3.0(10) . . . . ?
C10K C12K C17K C16K -178.3(6) . . . . ?
C17K C16K C23K O22K -3.4(13) . . . . ?
C15K C16K C23K O22K 176.8(8) . . . . ?
C17K C16K C23K N24K 175.2(9) . . . . ?
C15K C16K C23K N24K -4.6(14) . . . . ?
N25K C26K C27K N32K 1.7(10) . . . . ?
N25K C26K C27K C28K -179.2(11) . . . . ?
N32K C27K C28K C29K -1.5(14) . . . . ?
C26K C27K C28K C29K 179.5(10) . . . . ?
C27K C28K C29K C30K 0.7(18) . . . . ?
C28K C29K C30K C31K -1(2) . . . . ?
C29K C30K C31K N32K 3(2) . . . . ?
C30K C31K N32K C27K -3.9(17) . . . . ?
C30K C31K N32K Cu12 177.6(9) . . . . ?
C28K C27K N32K C31K 3.0(13) . . . . ?
C26K C27K N32K C31K -177.8(8) . . . . ?
C28K C27K N32K Cu12 -178.2(7) . . . . ?
C26K C27K N32K Cu12 1.0(7) . . . . ?
C6K C7K N8K N9K -177.8(7) . . . . ?
C6K C7K N8K Cu11 5.2(10) . . . . ?
O11K C10K N9K N8K 2.5(11) . . . . ?
C12K C10K N9K N8K -173.1(5) . . . . ?
C7K N8K N9K C10K 177.1(8) . . . . ?
Cu11 N8K N9K C10K -5.8(8) . . . . ?
O22K C23K N24K N25K 0.8(14) . . . . ?
C16K C23K N24K N25K -177.7(8) . . . . ?
C27K C26K N25K N24K 180.0(8) . . . . ?
C27K C26K N25K Cu12 -3.9(12) . . . . ?
C23K N24K N25K C26K 178.9(10) . . . . ?
C23K N24K N25K Cu12 2.8(12) . . . . ?
N9K C10K O11K Cu11 1.6(9) . . . . ?
C12K C10K O11K Cu11 177.2(3) . . . . ?
N24K C23K O22K Cu12 -3.5(12) . . . . ?
C16K C23K O22K Cu12 175.1(6) . . . . ?
C15K C14K S18K O19K 126.3(9) . . . . ?
C13K C14K S18K O19K -53.0(8) . . . . ?
C15K C14K S18K O20K 4.6(10) . . . . ?
C13K C14K S18K O20K -174.7(8) . . . . ?
C15K C14K S18K O21K -115.0(9) . . . . ?
C13K C14K S18K O21K 65.7(8) . . . . ?
C6L N1L C2L C3L -0.4(8) . . . . ?
Cu12 N1L C2L C3L -167.7(7) . . . . ?
N1L C2L C3L C4L -0.2(10) . . . . ?
C2L C3L C4L C5L 2.5(16) . . . . ?
C3L C4L C5L C6L -4.2(18) . . . . ?
C2L N1L C6L C5L -1.4(13) . . . . ?
Cu12 N1L C6L C5L 168.6(8) . . . . ?
C2L N1L C6L C7L 178.2(7) . . . . ?
Cu12 N1L C6L C7L -11.7(10) . . . . ?
C4L C5L C6L N1L 3.8(16) . . . . ?
C4L C5L C6L C7L -175.8(10) . . . . ?
N1L C6L C7L N8L 3.8(14) . . . . ?
C5L C6L C7L N8L -176.5(10) . . . . ?
O11L C10L C12L C17L 10.1(8) . . . . ?
N9L C10L C12L C17L -165.2(8) . . . . ?
O11L C10L C12L C13L -167.2(7) . . . . ?
N9L C10L C12L C13L 17.4(7) . . . . ?
C17L C12L C13L C14L 4.0(8) . . . . ?
C10L C12L C13L C14L -178.7(6) . . . . ?
C12L C13L C14L C15L -1.4(12) . . . . ?
C12L C13L C14L S18L -177.6(5) . . . . ?
C13L C14L C15L C16L -0.6(14) . . . . ?
S18L C14L C15L C16L 175.5(7) . . . . ?
C14L C15L C16L C17L 0.1(13) . . . . ?
C14L C15L C16L C23L 176.7(8) . . . . ?
C15L C16L C17L C12L 2.5(12) . . . . ?
C23L C16L C17L C12L -174.3(7) . . . . ?
C13L C12L C17L C16L -4.6(10) . . . . ?
C10L C12L C17L C16L 177.9(6) . . . . ?
C17L C16L C23L O22L -13.6(12) . . . . ?
C15L C16L C23L O22L 169.7(8) . . . . ?
C17L C16L C23L N24L 166.8(8) . . . . ?
C15L C16L C23L N24L -9.8(13) . . . . ?
N25L C26L C27L N32L -6.4(11) . . . . ?
N25L C26L C27L C28L 174.3(11) . . . . ?
N32L C27L C28L C29L 0.6(16) . . . . ?
C26L C27L C28L C29L 179.9(12) . . . . ?
C27L C28L C29L C30L 2(3) . . . . ?
C28L C29L C30L C31L -3(3) . . . . ?
C29L C30L C31L N32L 1(3) . . . . ?
C30L C31L N32L C27L 2(2) . . . . ?
C30L C31L N32L Cu9 178.3(13) . . . . ?
C28L C27L N32L C31L -2.5(17) . . . . ?
C26L C27L N32L C31L 178.2(11) . . . . ?
C28L C27L N32L Cu9 -179.9(8) . . . . ?
C26L C27L N32L Cu9 0.7(8) . . . . ?
C6L C7L N8L N9L -178.2(8) . . . . ?
C6L C7L N8L Cu12 8.2(13) . . . . ?
O11L C10L N9L N8L 4.4(12) . . . . ?
C12L C10L N9L N8L 179.6(6) . . . . ?
C7L N8L N9L C10L -175.7(8) . . . . ?
Cu12 N8L N9L C10L -2.1(10) . . . . ?
O22L C23L N24L N25L 4.3(13) . . . . ?
C16L C23L N24L N25L -176.2(8) . . . . ?
C27L C26L N25L N24L -177.3(8) . . . . ?
C27L C26L N25L Cu9 8.8(11) . . . . ?
C23L N24L N25L C26L 179.2(10) . . . . ?
C23L N24L N25L Cu9 -7.0(11) . . . . ?
N9L C10L O11L Cu12 -4.2(10) . . . . ?
C12L C10L O11L Cu12 -179.2(4) . . . . ?
N24L C23L O22L Cu9 0.2(11) . . . . ?
C16L C23L O22L Cu9 -179.3(6) . . . . ?
C15L C14L S18L O21L 39.7(10) . . . . ?
C13L C14L S18L O21L -144.0(7) . . . . ?
C15L C14L S18L O19L -78.2(9) . . . . ?
C13L C14L S18L O19L 98.1(8) . . . . ?
C15L C14L S18L O20L 160.1(9) . . . . ?
C13L C14L S18L O20L -23.6(9) . . . . ?
C6M N1M C2M C3M -1.8(8) . . . . ?
Cu13 N1M C2M C3M 173.8(7) . . . . ?
N1M C2M C3M C4M -1.2(10) . . . . ?
C2M C3M C4M C5M 3.8(17) . . . . ?
C3M C4M C5M C6M -3.3(18) . . . . ?
C2M N1M C6M C5M 2.2(13) . . . . ?
Cu13 N1M C6M C5M -174.3(8) . . . . ?
C2M N1M C6M C7M 176.0(7) . . . . ?
Cu13 N1M C6M C7M -0.5(11) . . . . ?
C4M C5M C6M N1M 0.3(16) . . . . ?
C4M C5M C6M C7M -173.1(10) . . . . ?
N1M C6M C7M N8M -1.4(15) . . . . ?
C5M C6M C7M N8M 172.4(10) . . . . ?
O11M C10M C12M C17M -3.6(8) . . . . ?
N9M C10M C12M C17M 175.1(8) . . . . ?
O11M C10M C12M C13M 176.5(8) . . . . ?
N9M C10M C12M C13M -4.8(7) . . . . ?
C17M C12M C13M C14M 0.5(8) . . . . ?
C10M C12M C13M C14M -179.6(6) . . . . ?
C12M C13M C14M C15M 0.4(10) . . . . ?
C12M C13M C14M S18M -178.1(4) . . . . ?
C13M C14M C15M C16M -1.9(12) . . . . ?
S18M C14M C15M C16M 176.7(6) . . . . ?
C14M C15M C16M C17M 2.4(12) . . . . ?
C14M C15M C16M C23M -178.2(8) . . . . ?
C15M C16M C17M C12M -1.5(12) . . . . ?
C23M C16M C17M C12M 179.0(7) . . . . ?
C13M C12M C17M C16M 0.1(10) . . . . ?
C10M C12M C17M C16M -179.8(6) . . . . ?
C17M C16M C23M O22M 13.8(12) . . . . ?
C15M C16M C23M O22M -165.6(8) . . . . ?
C17M C16M C23M N24M -164.3(7) . . . . ?
C15M C16M C23M N24M 16.2(12) . . . . ?
N25M C26M C27M N32M 3.0(8) . . . . ?
N25M C26M C27M C28M -177.4(7) . . . . ?
N32M C27M C28M C29M -2.2(11) . . . . ?
C26M C27M C28M C29M 178.3(8) . . . . ?
C27M C28M C29M C30M 2.1(16) . . . . ?
C28M C29M C30M C31M -2(2) . . . . ?
C29M C30M C31M N32M 2(2) . . . . ?
C30M C31M N32M C27M -2.1(18) . . . . ?
C30M C31M N32M Cu14 -177.9(10) . . . . ?
C28M C27M N32M C31M 2.2(12) . . . . ?
C26M C27M N32M C31M -178.3(8) . . . . ?
C28M C27M N32M Cu14 178.8(5) . . . . ?
C26M C27M N32M Cu14 -1.6(6) . . . . ?
C6M C7M N8M N9M -178.8(9) . . . . ?
C6M C7M N8M Cu13 2.9(13) . . . . ?
O11M C10M N9M N8M 1.3(13) . . . . ?
C12M C10M N9M N8M -177.3(6) . . . . ?
C7M N8M N9M C10M 176.2(9) . . . . ?
Cu13 N8M N9M C10M -5.4(11) . . . . ?
O22M C23M N24M N25M 0.4(12) . . . . ?
C16M C23M N24M N25M 178.6(6) . . . . ?
C27M C26M N25M N24M 176.7(5) . . . . ?
C27M C26M N25M Cu14 -3.1(8) . . . . ?
C23M N24M N25M C26M 176.4(7) . . . . ?
C23M N24M N25M Cu14 -3.8(9) . . . . ?
N9M C10M O11M Cu13 2.5(11) . . . . ?
C12M C10M O11M Cu13 -178.9(4) . . . . ?
N24M C23M O22M Cu14 2.4(10) . . . . ?
C16M C23M O22M Cu14 -175.6(6) . . . . ?
C15M C14M S18M O20M -164.7(7) . . . . ?
C13M C14M S18M O20M 13.9(7) . . . . ?
C15M C14M S18M O21M 76.8(8) . . . . ?
C13M C14M S18M O21M -104.6(7) . . . . ?
C15M C14M S18M O19M -43.1(7) . . . . ?
C13M C14M S18M O19M 135.5(6) . . . . ?
C6N N1N C2N C3N 0.1(9) . . . . ?
Cu14 N1N C2N C3N 179.4(8) . . . . ?
N1N C2N C3N C4N -0.9(11) . . . . ?
C2N C3N C4N C5N 0(2) . . . . ?
C3N C4N C5N C6N 2(2) . . . . ?
C2N N1N C6N C5N 1.6(16) . . . . ?
Cu14 N1N C6N C5N -177.8(11) . . . . ?
C2N N1N C6N C7N -177.3(9) . . . . ?
Cu14 N1N C6N C7N 3.2(13) . . . . ?
C4N C5N C6N N1N -3(2) . . . . ?
C4N C5N C6N C7N 176.4(14) . . . . ?
N1N C6N C7N N8N -1.7(16) . . . . ?
C5N C6N C7N N8N 179.4(13) . . . . ?
O11N C10N C12N C17N 6.6(7) . . . . ?
N9N C10N C12N C17N -176.9(8) . . . . ?
O11N C10N C12N C13N -174.9(7) . . . . ?
N9N C10N C12N C13N 1.7(7) . . . . ?
C17N C12N C13N C14N -1.0(8) . . . . ?
C10N C12N C13N C14N -179.5(6) . . . . ?
C12N C13N C14N C15N -0.6(11) . . . . ?
C12N C13N C14N S18N -178.2(5) . . . . ?
C13N C14N C15N C16N 1.1(14) . . . . ?
S18N C14N C15N C16N 178.8(7) . . . . ?
C14N C15N C16N C17N 0.0(13) . . . . ?
C14N C15N C16N C23N -177.4(8) . . . . ?
C15N C16N C17N C12N -1.7(12) . . . . ?
C23N C16N C17N C12N 175.9(7) . . . . ?
C13N C12N C17N C16N 2.2(10) . . . . ?
C10N C12N C17N C16N -179.3(6) . . . . ?
C17N C16N C23N O22N -1.0(13) . . . . ?
C15N C16N C23N O22N 176.4(9) . . . . ?
C17N C16N C23N N24N 179.2(8) . . . . ?
C15N C16N C23N N24N -3.4(13) . . . . ?
N25N C26N C27N N32N -2.3(8) . . . . ?
N25N C26N C27N C28N 178.8(8) . . . . ?
N32N C27N C28N C29N 2.7(10) . . . . ?
C26N C27N C28N C29N -178.6(7) . . . . ?
C27N C28N C29N C30N -1.7(13) . . . . ?
C28N C29N C30N C31N 1.6(14) . . . . ?
C29N C30N C31N N32N -2.5(14) . . . . ?
C30N C31N N32N C27N 3.3(12) . . . . ?
C30N C31N N32N Cu15 -178.5(7) . . . . ?
C28N C27N N32N C31N -3.4(10) . . . . ?
C26N C27N N32N C31N 177.7(6) . . . . ?
C28N C27N N32N Cu15 178.1(5) . . . . ?
C26N C27N N32N Cu15 -0.7(6) . . . . ?
C6N C7N N8N N9N 177.6(10) . . . . ?
C6N C7N N8N Cu14 -0.9(14) . . . . ?
O11N C10N N9N N8N -1.6(12) . . . . ?
C12N C10N N9N N8N -177.8(6) . . . . ?
C7N N8N N9N C10N -178.1(10) . . . . ?
Cu14 N8N N9N C10N 0.4(10) . . . . ?
O22N C23N N24N N25N -1.7(13) . . . . ?
C16N C23N N24N N25N 178.1(8) . . . . ?
C27N C26N N25N N24N -175.2(7) . . . . ?
C27N C26N N25N Cu15 4.6(9) . . . . ?
C23N N24N N25N C26N 177.2(8) . . . . ?
C23N N24N N25N Cu15 -2.6(11) . . . . ?
N9N C10N O11N Cu14 1.9(10) . . . . ?
C12N C10N O11N Cu14 178.1(3) . . . . ?
N24N C23N O22N Cu15 4.4(11) . . . . ?
C16N C23N O22N Cu15 -175.4(6) . . . . ?
C13N C14N S18N O21N -125.1(8) . . . . ?
C15N C14N S18N O21N 57.2(10) . . . . ?
C13N C14N S18N O19N 112.8(8) . . . . ?
C15N C14N S18N O19N -65.0(9) . . . . ?
C13N C14N S18N O20N -5.1(9) . . . . ?
C15N C14N S18N O20N 177.2(8) . . . . ?
C6O N1O C2O C3O 0.6(8) . . . . ?
Cu15 N1O C2O C3O -175.6(8) . . . . ?
N1O C2O C3O C4O -1.5(11) . . . . ?
C2O C3O C4O C5O 1.2(19) . . . . ?
C3O C4O C5O C6O 0(2) . . . . ?
C2O N1O C6O C5O 0.6(15) . . . . ?
Cu15 N1O C6O C5O 177.5(10) . . . . ?
C2O N1O C6O C7O -175.6(8) . . . . ?
Cu15 N1O C6O C7O 1.3(11) . . . . ?
C4O C5O C6O N1O -1(2) . . . . ?
C4O C5O C6O C7O 174.9(12) . . . . ?
N1O C6O C7O N8O 1.6(14) . . . . ?
C5O C6O C7O N8O -174.5(11) . . . . ?
O11O C10O C12O C17O 11.1(7) . . . . ?
N9O C10O C12O C17O -173.0(7) . . . . ?
O11O C10O C12O C13O -168.4(7) . . . . ?
N9O C10O C12O C13O 7.4(7) . . . . ?
C17O C12O C13O C14O 0.1(8) . . . . ?
C10O C12O C13O C14O 179.7(5) . . . . ?
C12O C13O C14O C15O 0.6(10) . . . . ?
C12O C13O C14O S18O -176.9(4) . . . . ?
C13O C14O C15O C16O -1.4(12) . . . . ?
S18O C14O C15O C16O 176.1(6) . . . . ?
C14O C15O C16O C17O 1.4(12) . . . . ?
C14O C15O C16O C23O -177.8(7) . . . . ?
C15O C16O C17O C12O -0.7(12) . . . . ?
C23O C16O C17O C12O 178.5(7) . . . . ?
C13O C12O C17O C16O -0.1(10) . . . . ?
C10O C12O C17O C16O -179.7(6) . . . . ?
C17O C16O C23O O22O -10.3(12) . . . . ?
C15O C16O C23O O22O 168.9(8) . . . . ?
C17O C16O C23O N24O 173.8(8) . . . . ?
C15O C16O C23O N24O -7.0(12) . . . . ?
N25O C26O C27O N32O 1.5(8) . . . . ?
N25O C26O C27O C28O -179.7(8) . . . . ?
N32O C27O C28O C29O -2.1(11) . . . . ?
C26O C27O C28O C29O 179.2(7) . . . . ?
C27O C28O C29O C30O 0.5(14) . . . . ?
C28O C29O C30O C31O -0.7(16) . . . . ?
C29O C30O C31O N32O 2.7(16) . . . . ?
C30O C31O N32O C27O -4.3(14) . . . . ?
C30O C31O N32O Cu16 175.3(7) . . . . ?
C28O C27O N32O C31O 4.0(11) . . . . ?
C26O C27O N32O C31O -177.2(7) . . . . ?
C28O C27O N32O Cu16 -175.7(5) . . . . ?
C26O C27O N32O Cu16 3.2(6) . . . . ?
C6O C7O N8O N9O 178.3(8) . . . . ?
C6O C7O N8O Cu15 -4.1(13) . . . . ?
O11O C10O N9O N8O -2.8(11) . . . . ?
C12O C10O N9O N8O -178.5(5) . . . . ?
C7O N8O N9O C10O 177.6(8) . . . . ?
Cu15 N8O N9O C10O 0.0(9) . . . . ?
O22O C23O N24O N25O 0.1(12) . . . . ?
C16O C23O N24O N25O 175.6(7) . . . . ?
C27O C26O N25O N24O 175.0(6) . . . . ?
C27O C26O N25O Cu16 -6.0(9) . . . . ?
C23O N24O N25O C26O 179.8(8) . . . . ?
C23O N24O N25O Cu16 0.7(9) . . . . ?
N9O C10O O11O Cu15 4.0(9) . . . . ?
C12O C10O O11O Cu15 179.6(3) . . . . ?
N24O C23O O22O Cu16 -0.8(11) . . . . ?
C16O C23O O22O Cu16 -176.2(6) . . . . ?
C15O C14O S18O O21O -154.8(7) . . . . ?
C13O C14O S18O O21O 22.8(8) . . . . ?
C15O C14O S18O O19O 83.2(8) . . . . ?
C13O C14O S18O O19O -99.3(7) . . . . ?
C15O C14O S18O O20O -34.9(8) . . . . ?
C13O C14O S18O O20O 142.7(6) . . . . ?
C6P N1P C2P C3P -0.2(7) . . . . ?
Cu16 N1P C2P C3P 178.9(6) . . . . ?
N1P C2P C3P C4P -1.8(9) . . . . ?
C2P C3P C4P C5P 2.0(14) . . . . ?
C3P C4P C5P C6P -0.4(15) . . . . ?
C2P N1P C6P C5P 1.8(11) . . . . ?
Cu16 N1P C6P C5P -177.4(7) . . . . ?
C2P N1P C6P C7P -176.6(6) . . . . ?
Cu16 N1P C6P C7P 4.2(9) . . . . ?
C4P C5P C6P N1P -1.6(14) . . . . ?
C4P C5P C6P C7P 176.8(9) . . . . ?
N1P C6P C7P N8P 0.2(11) . . . . ?
C5P C6P C7P N8P -178.3(8) . . . . ?
O11P C10P C12P C17P -5.6(7) . . . . ?
N9P C10P C12P C17P 176.5(8) . . . . ?
O11P C10P C12P C13P 174.3(7) . . . . ?
N9P C10P C12P C13P -3.6(7) . . . . ?
C17P C12P C13P C14P 0.5(9) . . . . ?
C10P C12P C13P C14P -179.4(7) . . . . ?
C12P C13P C14P C15P 0.0(12) . . . . ?
C12P C13P C14P S18P 174.4(5) . . . . ?
C13P C14P C15P C16P -0.4(15) . . . . ?
S18P C14P C15P C16P -175.0(7) . . . . ?
C14P C15P C16P C17P 0.3(14) . . . . ?
C14P C15P C16P C23P -179.5(9) . . . . ?
C13P C12P C17P C16P -0.6(10) . . . . ?
C10P C12P C17P C16P 179.3(6) . . . . ?
C15P C16P C17P C12P 0.2(13) . . . . ?
C23P C16P C17P C12P -180.0(7) . . . . ?
C15P C16P C23P O22P -171.5(9) . . . . ?
C17P C16P C23P O22P 8.7(12) . . . . ?
C15P C16P C23P N24P 8.2(14) . . . . ?
C17P C16P C23P N24P -171.6(9) . . . . ?
N25P C26P C27P N32P -1.5(11) . . . . ?
N25P C26P C27P C28P 178.7(12) . . . . ?
N32P C27P C28P C29P -0.4(16) . . . . ?
C26P C27P C28P C29P 179.5(11) . . . . ?
C27P C28P C29P C30P 1(2) . . . . ?
C28P C29P C30P C31P 0(3) . . . . ?
C29P C30P C31P N32P -2(3) . . . . ?
C30P C31P N32P C27P 2(2) . . . . ?
C30P C31P N32P Cu13 178.4(12) . . . . ?
C26P C27P N32P C31P 179.2(10) . . . . ?
C28P C27P N32P C31P -0.9(15) . . . . ?
C26P C27P N32P Cu13 2.2(8) . . . . ?
C28P C27P N32P Cu13 -177.9(8) . . . . ?
C6P C7P N8P N9P 177.1(7) . . . . ?
C6P C7P N8P Cu16 -5.2(10) . . . . ?
O11P C10P N9P N8P -2.8(11) . . . . ?
C12P C10P N9P N8P 175.1(5) . . . . ?
C7P N8P N9P C10P -176.9(7) . . . . ?
Cu16 N8P N9P C10P 5.5(9) . . . . ?
O22P C23P N24P N25P -2.8(14) . . . . ?
C16P C23P N24P N25P 177.5(8) . . . . ?
C27P C26P N25P N24P 178.8(9) . . . . ?
C27P C26P N25P Cu13 -0.1(13) . . . . ?
C23P N24P N25P C26P 178.9(11) . . . . ?
C23P N24P N25P Cu13 -2.3(11) . . . . ?
N9P C10P O11P Cu16 -0.8(10) . . . . ?
C12P C10P O11P Cu16 -178.6(3) . . . . ?
N24P C23P O22P Cu13 6.1(12) . . . . ?
C16P C23P O22P Cu13 -174.1(6) . . . . ?
C13P C14P S18P O20P -73.6(9) . . . . ?
C15P C14P S18P O20P 100.9(10) . . . . ?
C13P C14P S18P O19P 46.7(10) . . . . ?
C15P C14P S18P O19P -138.9(9) . . . . ?
C13P C14P S18P O21P 167.8(8) . . . . ?
C15P C14P S18P O21P -17.7(11) . . . . ?
O1S C1S N1S C2S -0.1 . . . . ?
O1S C1S N1S C3S 179.8 . . . . ?
O1T C1T N1T C2T -0.1 . . . . ?
O1T C1T N1T C3T 179.8 . . . . ?
O2T C4T N2T C5T -0.1 . . . . ?
O2T C4T N2T C6T 179.8 . . . . ?
O1U C1U N1U C2U -0.1 . . . . ?
O1U C1U N1U C3U 179.8 . . . . ?
O2U C4U N2U C5U -0.1 . . . . ?
O2U C4U N2U C6U 179.8 . . . . ?

_refine_diff_density_max         1.448
_refine_diff_density_min         -2.213
_refine_diff_density_rms         0.130

_shelxl_version_number           2013-4


