# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2024

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

data_a
_database_code_depnum_ccdc_archive 'CCDC 2314346'
loop_
_audit_author_name
_audit_author_address
F
;Cambridge Crystallographic Data Centre
China
;
_audit_update_record             
;
2023-12-14 deposited with the CCDC.	2024-08-01 downloaded from the CCDC.
;
_audit_creation_date             2021-09-29
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.08.20 svn.r13c46975 for OlexSys, GUI svn.r6405)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.25(C312 H444 N4 O48 P24 Pt12)'
_chemical_formula_sum            'C78 H111 N O12 P6 Pt3'
_chemical_formula_weight         2025.76
_chemical_absolute_configuration ad
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2543 0.3332 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -5.3886 5.5592 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      cubic
_space_group_IT_number           218
_space_group_name_H-M_alt        'P -4 3 n'
_space_group_name_Hall           'P -4n 2 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'y+1/2, x+1/2, z+1/2'
'-y+1/2, -x+1/2, z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'x+1/2, z+1/2, y+1/2'
'-x+1/2, z+1/2, -y+1/2'
'-x+1/2, -z+1/2, y+1/2'
'x+1/2, -z+1/2, -y+1/2'
'z+1/2, y+1/2, x+1/2'
'z+1/2, -y+1/2, -x+1/2'
'-z+1/2, y+1/2, -x+1/2'
'-z+1/2, -y+1/2, x+1/2'

_cell_length_a                   29.1614(16)
_cell_length_b                   29.1614(16)
_cell_length_c                   29.1614(16)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     24798(4)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9844
_cell_measurement_temperature    173.00
_cell_measurement_theta_max      56.48
_cell_measurement_theta_min      2.95
_shelx_estimated_absorpt_T_max   0.637
_shelx_estimated_absorpt_T_min   0.588
_exptl_absorpt_coefficient_mu    4.950
_exptl_absorpt_correction_T_max  0.7512
_exptl_absorpt_correction_T_min  0.3604
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1433 before and 0.1043 after correction.
The Ratio of minimum to maximum transmission is 0.4798.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.085
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             8048
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0879
_diffrn_reflns_av_unetI/netI     0.0283
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            170473
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         57.243
_diffrn_reflns_theta_min         1.864
_diffrn_ambient_temperature      173.00
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE Metaljet PHOTON III'
_diffrn_measurement_method       'ω and φ shutterless scans'
_diffrn_measurement_specimen_support 'nylon loop'
_diffrn_radiation_monochromator  'Helios Multi-layer Optic'
_diffrn_radiation_probe          X-ray
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   MetalJet
_diffrn_source_current           2.86
_diffrn_source_power             0.19937059999999998
_diffrn_source_type              'Liquid Metal source'
_diffrn_source_voltage           69.71
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.880
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.996
_reflns_number_gt                7453
_reflns_number_total             8540
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (Bruker, 2019)'
_computing_data_collection       'Bruker BIS V6.2.14'
_computing_data_reduction        'SAINT V8.40B (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.879
_refine_diff_density_min         -0.941
_refine_diff_density_rms         0.086
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.159(19)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         8540
_refine_ls_number_restraints     106
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0417
_refine_ls_restrained_S_all      1.097
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0847P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1154
_refine_ls_wR_factor_ref         0.1192
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.841(19)
 0.159(19)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 C23-C22 = C24-C25 = C27-C26
 1.5 with sigma of 0.005
 P2-C23
 2.8 with sigma of 0.005
 C25-P2
 2.8 with sigma of 0.005
 C27-P2
 2.8 with sigma of 0.005
 P2-C24 \\sim P2-C22 \\sim P2-C26
 with sigma of 0.02
 O4-C8 \\sim O4A-C8
 with sigma of 0.02
 C27-C26 \\sim C24-C25 \\sim C23-C22
 with sigma of 0.02
 P2-C26 \\sim P2-C22
 with sigma of 0.02
 C26-C22 \\sim C26-C24 \\sim C24-C22
 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
O4 \\sim O4A: within 2A with sigma of 0.002 and sigma for terminal atoms of
0.004 within 2A
P2 \\sim C22 \\sim C23 \\sim C27 \\sim C26 \\sim C24 \\sim C25: within 2A with
sigma of 0.005 and sigma for terminal atoms of 0.01 within 2A
P1 \\sim C18 \\sim C20 \\sim C21 \\sim C19 \\sim C16 \\sim C17: within 2A with
sigma of 0.005 and sigma for terminal atoms of 0.01 within 2A
Uanis(O4A) \\sim Ueq, Uanis(O4) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
5. Others
 Sof(O4A)=1-FVAR(1)
 Sof(O4)=FVAR(1)
6.a Riding coordinates:
 C25(H25A,H25B,H25C)
6.b Secondary CH2 refined with riding coordinates:
 C18(H18A,H18B), C20(H20A,H20B), C22(H22A,H22B), C16(H16A,H16B), C26(H26A,
 H26B), C24(H24A,H24B)
6.c Aromatic/amide H refined with riding coordinates:
 C11(H11), C13(H13), C10(H10), C7(H7), C5(H5), C3(H3), C14(H14)
6.d Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C19(H19A,H19B,H19C), C23(H23A,H23B,H23C), C17(H17A,H17B,
 H17C), C27(H27A,H27B,H27C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.16745(2) 0.62224(2) 0.19597(2) 0.05020(13) Uani 1 1 d . . . . .
P1 P 0.14410(10) 0.58235(9) 0.25715(10) 0.0681(6) Uani 1 1 d . U . . .
P2 P 0.20764(12) 0.56690(10) 0.16221(14) 0.0892(9) Uani 1 1 d D U . . .
O1 O 0.0654(2) 0.6645(2) 0.1993(3) 0.076(2) Uani 1 1 d . . . . .
O2 O 0.1378(2) 0.6814(2) 0.2213(2) 0.0611(16) Uani 1 1 d . . . . .
N15 N -0.1245(3) 0.8755(3) 0.1245(3) 0.049(2) Uani 1 3 d S T P . .
C11 C -0.0824(3) 0.8614(3) 0.1944(3) 0.059(2) Uani 1 1 d . . . . .
H11 H -0.107325 0.873897 0.211203 0.070 Uiso 1 1 calc R U . . .
C13 C -0.0483(3) 0.8410(3) 0.1242(3) 0.058(2) Uani 1 1 d . . . . .
H13 H -0.048227 0.840969 0.091575 0.069 Uiso 1 1 calc R U . . .
C9 C -0.0089(3) 0.8239(3) 0.1957(3) 0.0535(19) Uani 1 1 d . . . . .
C12 C -0.0854(3) 0.8588(3) 0.1481(3) 0.0476(17) Uani 1 1 d . . . . .
C2 C 0.0818(3) 0.7370(3) 0.2284(3) 0.0508(17) Uani 1 1 d . . . . .
C10 C -0.0438(4) 0.8463(3) 0.2182(3) 0.062(2) Uani 1 1 d . . . . .
H10 H -0.041506 0.851529 0.250275 0.075 Uiso 1 1 calc R U . . .
C7 C 0.0449(3) 0.7579(3) 0.2065(3) 0.0529(19) Uani 1 1 d . . . . .
H7 H 0.029362 0.742054 0.182685 0.063 Uiso 1 1 calc R U . . .
C4 C 0.0891(3) 0.8039(3) 0.2779(3) 0.0487(17) Uani 1 1 d . . . . .
C6 C 0.0303(3) 0.8019(3) 0.2190(3) 0.0534(19) Uani 1 1 d . . . . .
C5 C 0.0525(3) 0.8229(3) 0.2569(3) 0.058(2) Uani 1 1 d . . . . .
H5 H 0.041182 0.851407 0.267883 0.069 Uiso 1 1 calc R U . . .
C1 C 0.0950(3) 0.6910(3) 0.2152(3) 0.0530(18) Uani 1 1 d . . . . .
C3 C 0.1039(3) 0.7610(3) 0.2636(3) 0.0542(19) Uani 1 1 d . . . . .
H3 H 0.129822 0.747521 0.278076 0.065 Uiso 1 1 calc R U . . .
C14 C -0.0113(3) 0.8232(4) 0.1483(3) 0.063(2) Uani 1 1 d . . . . .
H14 H 0.013412 0.810083 0.131550 0.076 Uiso 1 1 calc R U . . .
O3 O 0.1461(2) 0.8050(2) 0.3338(2) 0.0645(16) Uani 1 1 d . . . . .
O4A O 0.0968(10) 0.8645(6) 0.3315(9) 0.082(6) Uani 0.72(6) 1 d D U P A 2
C8 C 0.1123(3) 0.8280(3) 0.3169(3) 0.066(3) Uani 1 1 d D . . . .
C18 C 0.1120(4) 0.6193(4) 0.2966(4) 0.081(2) Uani 1 1 d . U . . .
H18A H 0.131181 0.646406 0.303505 0.097 Uiso 1 1 calc R U . . .
H18B H 0.084323 0.630371 0.280375 0.097 Uiso 1 1 calc R U . . .
C20 C 0.1905(4) 0.5593(4) 0.2918(4) 0.077(2) Uani 1 1 d . U . . .
H20A H 0.176985 0.542301 0.317916 0.093 Uiso 1 1 calc R U . . .
H20B H 0.207873 0.536972 0.273008 0.093 Uiso 1 1 calc R U . . .
C21 C 0.2232(5) 0.5942(5) 0.3101(5) 0.094(3) Uani 1 1 d . U . . .
H21A H 0.223866 0.620791 0.289636 0.142 Uiso 1 1 calc R U . . .
H21B H 0.253944 0.580766 0.312107 0.142 Uiso 1 1 calc R U . . .
H21C H 0.213229 0.603870 0.340746 0.142 Uiso 1 1 calc R U . . .
C22 C 0.1963(5) 0.5065(4) 0.1745(5) 0.100(3) Uani 1 1 d D U . . .
H22A H 0.202797 0.500598 0.207327 0.120 Uiso 1 1 calc R U . . .
H22B H 0.163363 0.500229 0.169246 0.120 Uiso 1 1 calc R U . . .
C19 C 0.0965(6) 0.5980(6) 0.3427(5) 0.110(4) Uani 1 1 d . U . . .
H19A H 0.064764 0.587282 0.340026 0.166 Uiso 1 1 calc R U . . .
H19B H 0.098454 0.621201 0.366974 0.166 Uiso 1 1 calc R U . . .
H19C H 0.116468 0.572086 0.350394 0.166 Uiso 1 1 calc R U . . .
C23 C 0.2243(6) 0.4738(3) 0.1459(5) 0.119(4) Uani 1 1 d D U . . .
H23A H 0.206480 0.445942 0.140050 0.179 Uiso 1 1 calc R U . . .
H23B H 0.252520 0.465887 0.162280 0.179 Uiso 1 1 calc R U . . .
H23C H 0.232083 0.488453 0.116621 0.179 Uiso 1 1 calc R U . . .
C16 C 0.1076(4) 0.5343(5) 0.2460(5) 0.088(3) Uani 1 1 d . U . . .
H16A H 0.127105 0.508395 0.236076 0.106 Uiso 1 1 calc R U . . .
H16B H 0.092897 0.525304 0.275219 0.106 Uiso 1 1 calc R U . . .
C17 C 0.0706(5) 0.5406(5) 0.2109(6) 0.108(4) Uani 1 1 d . U . . .
H17A H 0.084253 0.541415 0.180247 0.162 Uiso 1 1 calc R U . . .
H17B H 0.054428 0.569499 0.216763 0.162 Uiso 1 1 calc R U . . .
H17C H 0.048877 0.515040 0.212874 0.162 Uiso 1 1 calc R U . . .
C27 C 0.2893(4) 0.6138(5) 0.1833(8) 0.141(5) Uani 1 1 d D U . . .
H27A H 0.279513 0.635233 0.159320 0.212 Uiso 1 1 calc R U . . .
H27B H 0.322608 0.609545 0.181559 0.212 Uiso 1 1 calc R U . . .
H27C H 0.281181 0.626261 0.213435 0.212 Uiso 1 1 calc R U . . .
C26 C 0.2661(5) 0.5691(4) 0.1766(6) 0.118(3) Uani 1 1 d D U . . .
H26A H 0.270068 0.551278 0.205238 0.141 Uiso 1 1 calc R U . . .
H26B H 0.283043 0.552478 0.152289 0.141 Uiso 1 1 calc R U . . .
C24 C 0.2026(4) 0.5685(5) 0.1029(4) 0.113(3) Uani 1 1 d D U . . .
H24A H 0.211453 0.599526 0.092498 0.136 Uiso 1 1 calc R U . . .
H24B H 0.225185 0.546700 0.089940 0.136 Uiso 1 1 calc R U . . .
C25 C 0.1563(6) 0.5574(7) 0.0823(5) 0.155(6) Uani 1 1 d D U . . .
H25A H 0.137088 0.580995 0.096562 0.233 Uiso 1 1 d R U . . .
H25B H 0.150858 0.556965 0.049182 0.233 Uiso 1 1 d R U . . .
H25C H 0.148798 0.527375 0.095362 0.233 Uiso 1 1 d R U . . .
O4 O 0.114(2) 0.8702(8) 0.318(2) 0.080(6) Uani 0.28(6) 1 d D U P A 1


_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
Pt1 P1 2.236(2) . ?
Pt1 P2 2.224(3) . ?
Pt1 O2 2.065(7) . ?
Pt1 O3 2.098(6) 12_665 ?
P1 C18 1.833(12) . ?
P1 C20 1.817(11) . ?
P1 C16 1.789(13) . ?
P2 C22 1.828(12) . ?
P2 C26 1.757(13) . ?
P2 C24 1.737(13) . ?
O1 C1 1.249(10) . ?
O2 C1 1.291(10) . ?
N15 C12 1.417(7) . ?
N15 C12 1.417(7) 8_566 ?
N15 C12 1.417(7) 11_465 ?
C11 H11 0.9500 . ?
C11 C12 1.356(12) . ?
C11 C10 1.393(12) . ?
C13 H13 0.9500 . ?
C13 C12 1.389(12) . ?
C13 C14 1.389(13) . ?
C9 C10 1.376(13) . ?
C9 C6 1.476(11) . ?
C9 C14 1.384(12) . ?
C2 C7 1.390(11) . ?
C2 C1 1.449(12) . ?
C2 C3 1.400(11) . ?
C10 H10 0.9500 . ?
C7 H7 0.9500 . ?
C7 C6 1.399(12) . ?
C4 C5 1.350(11) . ?
C4 C3 1.387(12) . ?
C4 C8 1.500(11) . ?
C6 C5 1.420(12) . ?
C5 H5 0.9500 . ?
C3 H3 0.9500 . ?
C14 H14 0.9500 . ?
O3 C8 1.289(11) . ?
O4A C8 1.231(15) . ?
C8 O4 1.23(2) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.548(16) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.495(18) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.507(6) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.50(2) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C27 C26 1.484(6) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.510(6) . ?
C25 H25A 0.9798 . ?
C25 H25B 0.9797 . ?
C25 H25C 0.9806 . ?

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
P2 Pt1 P1 97.82(12) . . ?
O2 Pt1 P1 91.3(2) . . ?
O2 Pt1 P2 169.9(2) . . ?
O2 Pt1 O3 84.1(3) . 12_665 ?
O3 Pt1 P1 170.9(2) 12_665 . ?
O3 Pt1 P2 86.3(2) 12_665 . ?
C18 P1 Pt1 110.5(4) . . ?
C20 P1 Pt1 114.2(4) . . ?
C20 P1 C18 104.4(6) . . ?
C16 P1 Pt1 116.3(5) . . ?
C16 P1 C18 105.7(6) . . ?
C16 P1 C20 104.7(6) . . ?
C22 P2 Pt1 121.1(4) . . ?
C26 P2 Pt1 112.3(5) . . ?
C26 P2 C22 99.4(6) . . ?
C24 P2 Pt1 112.1(5) . . ?
C24 P2 C22 101.9(6) . . ?
C24 P2 C26 108.6(7) . . ?
C1 O2 Pt1 122.5(6) . . ?
C12 N15 C12 119.98(3) 11_465 . ?
C12 N15 C12 119.98(3) 8_566 . ?
C12 N15 C12 119.98(3) 11_465 8_566 ?
C12 C11 H11 118.9 . . ?
C12 C11 C10 122.1(8) . . ?
C10 C11 H11 118.9 . . ?
C12 C13 H13 120.3 . . ?
C12 C13 C14 119.4(8) . . ?
C14 C13 H13 120.3 . . ?
C10 C9 C6 123.9(8) . . ?
C10 C9 C14 116.5(8) . . ?
C14 C9 C6 119.6(8) . . ?
C11 C12 N15 121.1(7) . . ?
C11 C12 C13 118.0(7) . . ?
C13 C12 N15 120.8(8) . . ?
C7 C2 C1 119.3(8) . . ?
C7 C2 C3 118.3(8) . . ?
C3 C2 C1 122.3(8) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 C11 120.6(8) . . ?
C9 C10 H10 119.7 . . ?
C2 C7 H7 119.4 . . ?
C2 C7 C6 121.1(8) . . ?
C6 C7 H7 119.4 . . ?
C5 C4 C3 118.8(8) . . ?
C5 C4 C8 120.5(8) . . ?
C3 C4 C8 120.7(7) . . ?
C7 C6 C9 120.9(8) . . ?
C7 C6 C5 117.4(8) . . ?
C5 C6 C9 121.6(8) . . ?
C4 C5 C6 122.4(8) . . ?
C4 C5 H5 118.8 . . ?
C6 C5 H5 118.8 . . ?
O1 C1 O2 125.8(8) . . ?
O1 C1 C2 119.2(8) . . ?
O2 C1 C2 115.0(7) . . ?
C2 C3 H3 119.1 . . ?
C4 C3 C2 121.8(8) . . ?
C4 C3 H3 119.1 . . ?
C13 C14 H14 118.7 . . ?
C9 C14 C13 122.7(8) . . ?
C9 C14 H14 118.7 . . ?
C8 O3 Pt1 124.4(6) . 6_566 ?
O3 C8 C4 113.0(8) . . ?
O4A C8 C4 120.2(10) . . ?
O4A C8 O3 126.7(10) . . ?
O4 C8 C4 121(2) . . ?
O4 C8 O3 118(2) . . ?
P1 C18 H18A 108.0 . . ?
P1 C18 H18B 108.0 . . ?
H18A C18 H18B 107.2 . . ?
C19 C18 P1 117.3(9) . . ?
C19 C18 H18A 108.0 . . ?
C19 C18 H18B 108.0 . . ?
P1 C20 H20A 108.5 . . ?
P1 C20 H20B 108.5 . . ?
H20A C20 H20B 107.5 . . ?
C21 C20 P1 115.0(8) . . ?
C21 C20 H20A 108.5 . . ?
C21 C20 H20B 108.5 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
P2 C22 H22A 108.8 . . ?
P2 C22 H22B 108.8 . . ?
H22A C22 H22B 107.7 . . ?
C23 C22 P2 113.7(8) . . ?
C23 C22 H22A 108.8 . . ?
C23 C22 H22B 108.8 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
P1 C16 H16A 108.0 . . ?
P1 C16 H16B 108.0 . . ?
H16A C16 H16B 107.2 . . ?
C17 C16 P1 117.2(10) . . ?
C17 C16 H16A 108.0 . . ?
C17 C16 H16B 108.0 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
P2 C26 H26A 107.2 . . ?
P2 C26 H26B 107.2 . . ?
C27 C26 P2 120.4(9) . . ?
C27 C26 H26A 107.2 . . ?
C27 C26 H26B 107.2 . . ?
H26A C26 H26B 106.9 . . ?
P2 C24 H24A 107.9 . . ?
P2 C24 H24B 107.9 . . ?
H24A C24 H24B 107.2 . . ?
C25 C24 P2 117.8(9) . . ?
C25 C24 H24A 107.9 . . ?
C25 C24 H24B 107.9 . . ?
C24 C25 H25A 101.2 . . ?
C24 C25 H25B 122.7 . . ?
C24 C25 H25C 103.7 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 P1 C18 C19 -175.3(9) . . . . ?
Pt1 P1 C20 C21 58.2(11) . . . . ?
Pt1 P1 C16 C17 -42.1(13) . . . . ?
Pt1 P2 C22 C23 175.5(9) . . . . ?
Pt1 P2 C26 C27 -35.6(18) . . . . ?
Pt1 P2 C24 C25 -67.3(14) . . . . ?
Pt1 O2 C1 O1 10.0(13) . . . . ?
Pt1 O2 C1 C2 -170.1(6) . . . . ?
Pt1 O3 C8 C4 165.4(6) 6_566 . . . ?
Pt1 O3 C8 O4A -19(3) 6_566 . . . ?
Pt1 O3 C8 O4 16(4) 6_566 . . . ?
C9 C6 C5 C4 -178.2(9) . . . . ?
C12 N15 C12 C11 34.1(17) 8_566 . . . ?
C12 N15 C12 C11 -143.1(9) 11_465 . . . ?
C12 N15 C12 C13 39.7(16) 11_465 . . . ?
C12 N15 C12 C13 -143.1(9) 8_566 . . . ?
C12 C11 C10 C9 -6.5(16) . . . . ?
C12 C13 C14 C9 -2.4(15) . . . . ?
C2 C7 C6 C9 -180.0(8) . . . . ?
C2 C7 C6 C5 -4.3(14) . . . . ?
C10 C11 C12 N15 -178.2(10) . . . . ?
C10 C11 C12 C13 -0.9(14) . . . . ?
C10 C9 C6 C7 134.4(10) . . . . ?
C10 C9 C6 C5 -41.2(14) . . . . ?
C10 C9 C14 C13 -4.7(15) . . . . ?
C7 C2 C1 O1 -28.0(13) . . . . ?
C7 C2 C1 O2 152.1(9) . . . . ?
C7 C2 C3 C4 2.2(14) . . . . ?
C7 C6 C5 C4 6.1(14) . . . . ?
C6 C9 C10 C11 -172.2(9) . . . . ?
C6 C9 C14 C13 176.4(9) . . . . ?
C5 C4 C3 C2 -0.4(14) . . . . ?
C5 C4 C8 O3 178.8(9) . . . . ?
C5 C4 C8 O4A 3(3) . . . . ?
C5 C4 C8 O4 -33(4) . . . . ?
C1 C2 C7 C6 178.5(8) . . . . ?
C1 C2 C3 C4 -175.9(9) . . . . ?
C3 C2 C7 C6 0.3(14) . . . . ?
C3 C2 C1 O1 150.1(10) . . . . ?
C3 C2 C1 O2 -29.8(13) . . . . ?
C3 C4 C5 C6 -3.8(14) . . . . ?
C3 C4 C8 O3 0.9(14) . . . . ?
C3 C4 C8 O4A -175(2) . . . . ?
C3 C4 C8 O4 149(4) . . . . ?
C14 C13 C12 N15 -177.5(9) . . . . ?
C14 C13 C12 C11 5.2(13) . . . . ?
C14 C9 C10 C11 9.0(15) . . . . ?
C14 C9 C6 C7 -46.8(13) . . . . ?
C14 C9 C6 C5 137.6(10) . . . . ?
C8 C4 C5 C6 178.3(9) . . . . ?
C8 C4 C3 C2 177.5(9) . . . . ?
C18 P1 C20 C21 -62.6(11) . . . . ?
C18 P1 C16 C17 80.9(12) . . . . ?
C20 P1 C18 C19 -52.1(12) . . . . ?
C20 P1 C16 C17 -169.1(11) . . . . ?
C22 P2 C26 C27 -165.0(16) . . . . ?
C22 P2 C24 C25 63.7(14) . . . . ?
C16 P1 C18 C19 58.1(12) . . . . ?
C16 P1 C20 C21 -173.5(10) . . . . ?
C26 P2 C22 C23 -61.1(13) . . . . ?
C26 P2 C24 C25 167.9(12) . . . . ?
C24 P2 C22 C23 50.3(13) . . . . ?
C24 P2 C26 C27 89.0(17) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.982 -0.930 -0.768 11029.8 2658.2 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.841(19)
2 0.159(19)

####################################################################### 
# 
# 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_cu_20230904_XAJT_28_S_1_0m_sq
_database_code_depnum_ccdc_archive 'CCDC 2314347'
loop_
_audit_author_name
_audit_author_address
G
;Cambridge Crystallographic Data Centre
China
;
_audit_update_record             
;
2023-12-14 deposited with the CCDC.	2024-08-01 downloaded from the CCDC.
;
_audit_creation_method           
;FinalCif V118 by Daniel Kratzert, Freiburg 2023,
https://dkratzert.de/finalcif.html
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C744 N28 O48 P48 Pt24'
_chemical_formula_moiety         ?
_chemical_formula_weight         16264.44
_chemical_melting_point          ?
_space_group_crystal_system      trigonal
_vrf_THETM01_cu_20230904_XAJT_28_S_1_0m_sq 
;PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: Crystal diffracted very weakly, but it is already the best resultion. 
;
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3 :H'
_space_group_name_Hall           '-R 3'
_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'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   59.444(6)
_cell_length_b                   59.444(6)
_cell_length_c                   167.23(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     511754(140)
_cell_formula_units_Z            12
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9995
_cell_measurement_theta_min      2.513
_cell_measurement_theta_max      38.013
_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_recrystallization_method ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    0.633
_exptl_crystal_F_000             91632
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    4.207
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4323
_exptl_absorpt_correction_T_max  0.7500
_exptl_absorpt_process_details   
;SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      150(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_measurement_ambient_temperature_device_make 'Oxford Cryostream 800'
_diffrn_radiation_probe          x-ray
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_source_current           1.1
_diffrn_detector                 CPAD
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_detector_area_resol_mean 7.41
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            312328
_diffrn_reflns_av_unetI/netI     0.2788
_diffrn_reflns_av_R_equivalents  0.2330
_diffrn_reflns_theta_min         2.286
_diffrn_reflns_theta_max         50.667
_diffrn_reflns_theta_full        50.667
_diffrn_reflns_limit_h_min       -55
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_k_max       58
_diffrn_reflns_limit_l_min       -123
_diffrn_reflns_limit_l_max       167
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measured_fraction_theta_full 0.956
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_Laue_measured_fraction_full 0.956
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_point_group_measured_fraction_full 0.956
_reflns_number_total             114995
_reflns_number_gt                25210
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_computing_data_collection       
'Bruker BIS 8.5.0.27 Release/2023-03-20 && APEX5 2022.8-RC126'
_computing_cell_refinement       'SAINT V8.40B'
_computing_data_reduction        'SAINT V8.40B'
_computing_structure_solution    'SHELXS (G. Sheldrick)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           fullcycle
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0600P)²+1020.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_number_reflns         114995
_refine_ls_number_parameters     4896
_refine_ls_number_restraints     20773
_refine_ls_R_factor_all          0.3397
_refine_ls_R_factor_gt           0.1570
_refine_ls_wR_factor_ref         0.3856
_refine_ls_wR_factor_gt          0.3446
_refine_ls_goodness_of_fit_ref   1.608
_refine_ls_restrained_S_all      1.550
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.429
_refine_diff_density_min         -1.046
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .

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'
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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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_
_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
Pt1 Pt 0.51102(3) 0.50860(3) 0.67014(2) 0.148 Uani 1 1 d . U . . .
Pt2 Pt 0.40939(3) 0.39963(3) 0.61658(2) 0.158 Uani 1 1 d . . . . .
Pt3 Pt 0.59566(3) 0.45945(3) 0.36515(2) 0.163 Uani 1 1 d . U . . .
Pt4 Pt 0.68814(3) 0.63875(3) 0.66263(2) 0.160 Uani 1 1 d . U . . .
Pt5 Pt 0.80086(3) 0.65204(3) 0.61035(2) 0.187 Uani 1 1 d . . . . .
Pt6 Pt 0.80320(3) 0.52515(3) 0.36588(2) 0.166 Uani 1 1 d . . . . .
Pt7 Pt 0.48025(4) 0.46834(4) 0.42547(2) 0.209 Uani 1 1 d . U . . .
Pt8 Pt 0.70343(4) 0.54970(4) 0.56717(2) 0.222 Uani 1 1 d . . . . .
Pt9 Pt 0.50137(4) 0.39239(4) 0.56939(2) 0.223 Uani 1 1 d . . . . .
Pt10 Pt 0.70406(4) 0.52416(4) 0.72675(2) 0.227 Uani 1 1 d . . . . .
Pt11 Pt 0.58442(5) 0.57236(5) 0.47892(2) 0.268 Uani 1 1 d . U . . .
Pt12 Pt 0.85604(4) 0.47365(4) 0.73250(2) 0.238 Uani 1 1 d . . . . .
Pt13 Pt 0.58629(5) 0.48268(5) 0.52586(2) 0.261 Uani 1 1 d . U . . .
Pt14 Pt 0.44170(6) 0.27589(7) 0.52631(2) 0.381 Uani 1 1 d . U . . .
Pt15 Pt 0.84433(8) 0.66750(7) 0.48339(2) 0.443 Uani 1 1 d D . . . .
Pt16 Pt 0.94621(5) 0.65889(8) 0.43147(3) 0.510 Uani 1 1 d D U . . .
C1_1 C 0.4819(5) 0.4843(5) 0.65520(14) 0.118 Uani 1 1 d D U . . .
C2_1 C 0.4823(4) 0.4793(3) 0.64653(8) 0.130 Uani 1 1 d DG U . . .
C3_1 C 0.4592(3) 0.4620(3) 0.64275(12) 0.127 Uani 1 1 d DG U . . .
C4_1 C 0.4593(3) 0.4556(3) 0.63476(12) 0.139 Uani 1 1 d DG U . . .
C5_1 C 0.4826(5) 0.4665(4) 0.63056(8) 0.165 Uani 1 1 d DG U . . .
C6_1 C 0.5057(3) 0.4838(4) 0.63434(12) 0.148 Uani 1 1 d DG U . . .
C7_1 C 0.5056(3) 0.4902(3) 0.64232(12) 0.145 Uani 1 1 d DG U . . .
C8_1 C 0.4354(4) 0.4352(4) 0.63014(15) 0.146 Uani 1 1 d D U . . .
C9_1 C 0.5297(3) 0.4944(3) 0.62932(14) 0.154 Uani 1 1 d DG U . . .
C10_1 C 0.5526(5) 0.4991(4) 0.63297(8) 0.162 Uani 1 1 d DG U . . .
C11_1 C 0.5755(3) 0.5095(4) 0.62857(16) 0.172 Uani 1 1 d DG U . . .
C12_1 C 0.5754(3) 0.5152(3) 0.62050(15) 0.180 Uani 1 1 d DG U . . .
C13_1 C 0.5524(5) 0.5104(4) 0.61685(8) 0.165 Uani 1 1 d DG U . . .
C14_1 C 0.5296(3) 0.5001(4) 0.62126(15) 0.151 Uani 1 1 d DG U . . .
C15_1 C 0.5971(4) 0.5173(6) 0.60732(10) 0.194 Uani 1 1 d DG U . . .
C16_1 C 0.5838(3) 0.4907(5) 0.60590(13) 0.171 Uani 1 1 d DG U . . .
C17_1 C 0.5826(3) 0.4813(3) 0.59821(18) 0.156 Uani 1 1 d DG U . . .
C18_1 C 0.5947(4) 0.4986(6) 0.59193(10) 0.172 Uani 1 1 d DG U . . .
C19_1 C 0.6080(4) 0.5252(5) 0.59335(13) 0.168 Uani 1 1 d DG U . . .
C20_1 C 0.6093(3) 0.5345(3) 0.60104(18) 0.162 Uani 1 1 d DG U . . .
C21_1 C 0.6232(4) 0.5473(4) 0.61809(12) 0.178 Uani 1 1 d DG U . . .
C22_1 C 0.6230(4) 0.5651(5) 0.62342(14) 0.174 Uani 1 1 d DG U . . .
C23_1 C 0.6461(6) 0.5842(4) 0.62676(10) 0.190 Uani 1 1 d DG U . . .
C24_1 C 0.6694(4) 0.5856(3) 0.62477(13) 0.167 Uani 1 1 d DG U . . .
C25_1 C 0.6697(3) 0.5678(5) 0.61944(13) 0.146 Uani 1 1 d DG U . . .
C26_1 C 0.6466(6) 0.5487(4) 0.61609(10) 0.146 Uani 1 1 d DG U . . .
C27_1 C 0.6948(2) 0.6080(3) 0.62829(10) 0.153 Uani 1 1 d DG U . . .
C28_1 C 0.6944(2) 0.6174(3) 0.63588(10) 0.151 Uani 1 1 d DG U . . .
C29_1 C 0.7171(3) 0.6371(3) 0.63923(8) 0.153 Uani 1 1 d DG U . . .
C30_1 C 0.7403(2) 0.6475(3) 0.63499(8) 0.147 Uani 1 1 d DG U . . .
C31_1 C 0.7407(2) 0.6381(3) 0.62741(8) 0.137 Uani 1 1 d DG U . . .
C32_1 C 0.7180(3) 0.6184(3) 0.62406(8) 0.157 Uani 1 1 d DG U . . .
C33_1 C 0.7167(4) 0.6472(5) 0.64765(10) 0.145 Uani 1 1 d D U . . .
C34_1 C 0.7667(3) 0.6481(5) 0.62302(12) 0.148 Uani 1 1 d D U . . .
C35_1 C 0.5979(4) 0.4920(4) 0.58322(8) 0.194 Uani 1 1 d DG U . . .
C36_1 C 0.6214(3) 0.5052(3) 0.57916(9) 0.178 Uani 1 1 d DG U . . .
C37_1 C 0.6234(3) 0.4981(3) 0.57138(9) 0.167 Uani 1 1 d DG U . . .
C38_1 C 0.6019(3) 0.4778(3) 0.56767(7) 0.178 Uani 1 1 d DG U . . .
C39_1 C 0.5784(3) 0.4646(3) 0.57173(9) 0.190 Uani 1 1 d DG U . . .
C40_1 C 0.5764(3) 0.4717(3) 0.57950(9) 0.196 Uani 1 1 d DG U . . .
C41_1 C 0.6493(3) 0.5126(4) 0.56687(13) 0.199 Uani 1 1 d D U . . .
C42_1 C 0.5547(4) 0.4422(4) 0.56760(14) 0.219 Uani 1 1 d D U . . .
O1_1 O 0.5066(3) 0.5025(3) 0.65833(9) 0.112 Uani 1 1 d D U . . .
O2_1 O 0.4614(4) 0.4752(4) 0.65887(10) 0.178 Uani 1 1 d D U . . .
O3_1 O 0.4141(3) 0.4238(3) 0.63448(12) 0.162 Uani 1 1 d D U . . .
O4_1 O 0.4374(3) 0.4319(3) 0.62255(11) 0.165 Uani 1 1 d D U . . .
O5_1 O 0.6931(3) 0.6357(3) 0.65102(10) 0.152 Uani 1 1 d D U . . .
O6_1 O 0.7355(3) 0.6637(4) 0.65137(12) 0.191 Uani 1 1 d D U . . .
O7_1 O 0.7871(4) 0.6679(4) 0.62633(12) 0.213 Uani 1 1 d D U . . .
O8_1 O 0.7652(3) 0.6381(3) 0.61591(11) 0.164 Uani 1 1 d D U . . .
O9_1 O 0.6645(4) 0.5340(4) 0.57082(13) 0.215 Uani 1 1 d D U . . .
O10_1 O 0.6484(3) 0.5054(4) 0.55953(12) 0.207 Uani 1 1 d D U . . .
O11_1 O 0.5326(4) 0.4260(4) 0.57277(10) 0.236 Uani 1 1 d D U . . .
O12_1 O 0.5560(4) 0.4298(5) 0.56244(11) 0.271 Uani 1 1 d D U . . .
N1_1 N 0.5966(4) 0.5259(5) 0.61537(13) 0.196 Uani 1 1 d D U . . .
N1_3 N 0.8124(4) 0.6353(5) 0.61950(11) 0.172 Uani 1 1 d DG U . . .
C1_3 C 0.8274(4) 0.6494(3) 0.62599(17) 0.150 Uani 1 1 d DG U . . .
C2_3 C 0.8304(3) 0.6366(5) 0.63248(11) 0.162 Uani 1 1 d DG U . . .
C3_3 C 0.8185(4) 0.6097(6) 0.63248(11) 0.169 Uani 1 1 d DG U . . .
C4_3 C 0.8034(4) 0.5955(3) 0.62599(17) 0.172 Uani 1 1 d DG U . . .
C5_3 C 0.8004(3) 0.6084(5) 0.61949(11) 0.172 Uani 1 1 d DG U . . .
C6_3 C 0.8259(5) 0.6005(5) 0.63996(9) 0.158 Uani 1 1 d DG U . . .
C7_3 C 0.8061(3) 0.5755(5) 0.64178(12) 0.164 Uani 1 1 d DG U . . .
C8_3 C 0.8083(4) 0.5627(3) 0.64842(15) 0.159 Uani 1 1 d DG U . . .
C9_3 C 0.8303(5) 0.5748(5) 0.65324(9) 0.144 Uani 1 1 d DG U . . .
C10_3 C 0.8500(3) 0.5997(5) 0.65142(13) 0.165 Uani 1 1 d DG U . . .
C11_3 C 0.8478(4) 0.6126(3) 0.64478(15) 0.156 Uani 1 1 d DG U . . .
C12_3 C 0.8309(4) 0.5641(3) 0.66138(9) 0.137 Uani 1 1 d DG U . . .
C13_3 C 0.8497(3) 0.5567(4) 0.66182(10) 0.140 Uani 1 1 d DG U . . .
C14_3 C 0.8520(3) 0.5450(3) 0.66873(15) 0.133 Uani 1 1 d DG U . . .
C15_3 C 0.8356(4) 0.5407(3) 0.67518(9) 0.148 Uani 1 1 d DG U . . .
C16_3 C 0.8169(3) 0.5481(3) 0.67474(10) 0.146 Uani 1 1 d DG U . . .
C17_3 C 0.8145(3) 0.5598(3) 0.66783(15) 0.143 Uani 1 1 d DG U . . .
C18_3 C 0.7967(4) 0.5700(4) 0.66645(10) 0.154 Uani 1 1 d DG U . . .
C19_3 C 0.8071(2) 0.5963(4) 0.66490(10) 0.136 Uani 1 1 d DG U . . .
C20_3 C 0.7910(4) 0.6070(2) 0.66465(10) 0.141 Uani 1 1 d DG U . . .
C21_3 C 0.7645(4) 0.5913(4) 0.66594(10) 0.136 Uani 1 1 d DG U . . .
C22_3 C 0.7541(2) 0.5650(4) 0.66749(10) 0.132 Uani 1 1 d DG U . . .
C23_3 C 0.7702(4) 0.5543(3) 0.66774(10) 0.146 Uani 1 1 d DG U . . .
C24_3 C 0.8701(4) 0.5615(5) 0.65506(12) 0.149 Uani 1 1 d DG U . . .
C25_3 C 0.8963(5) 0.5795(4) 0.65620(10) 0.155 Uani 1 1 d DG U . . .
C26_3 C 0.9141(3) 0.5839(3) 0.65017(17) 0.159 Uani 1 1 d DG U . . .
C27_3 C 0.9058(5) 0.5705(5) 0.64299(12) 0.166 Uani 1 1 d DG U . . .
C28_3 C 0.8797(6) 0.5525(4) 0.64184(9) 0.158 Uani 1 1 d DG U . . .
C29_3 C 0.8618(3) 0.5480(3) 0.64787(16) 0.155 Uani 1 1 d DG U . . .
C30_3 C 0.8711(4) 0.5348(4) 0.66990(12) 0.140 Uani 1 1 d DG U . . .
C31_3 C 0.8933(5) 0.5484(3) 0.67456(10) 0.137 Uani 1 1 d DG U . . .
C32_3 C 0.9122(3) 0.5412(4) 0.67456(11) 0.159 Uani 1 1 d DG U . . .
C33_3 C 0.9090(4) 0.5205(4) 0.66991(13) 0.146 Uani 1 1 d DG U . . .
C34_3 C 0.8868(5) 0.5069(3) 0.66525(10) 0.153 Uani 1 1 d DG U . . .
C35_3 C 0.8679(3) 0.5141(4) 0.66524(10) 0.167 Uani 1 1 d DG U . . .
C36_3 C 0.8393(4) 0.5322(5) 0.68358(10) 0.149 Uani 1 1 d DG U . . .
C37_3 C 0.8482(3) 0.5481(3) 0.69030(17) 0.141 Uani 1 1 d DG U . . .
C38_3 C 0.8505(3) 0.5380(5) 0.69756(11) 0.174 Uani 1 1 d DG U . . .
C39_3 C 0.8439(4) 0.5121(5) 0.69811(10) 0.167 Uani 1 1 d DG U . . .
C40_3 C 0.8350(3) 0.4962(3) 0.69140(17) 0.148 Uani 1 1 d DG U . . .
C41_3 C 0.8327(3) 0.5063(5) 0.68413(11) 0.156 Uani 1 1 d DG U . . .
C42_3 C 0.8009(4) 0.5477(6) 0.68180(9) 0.180 Uani 1 1 d DG U . . .
C43_3 C 0.8002(4) 0.5682(3) 0.68552(14) 0.160 Uani 1 1 d DG U . . .
C44_3 C 0.7833(5) 0.5635(4) 0.69187(13) 0.145 Uani 1 1 d DG U . . .
C45_3 C 0.7672(3) 0.5382(6) 0.69451(9) 0.158 Uani 1 1 d DG U . . .
C46_3 C 0.7679(4) 0.5177(3) 0.69080(14) 0.189 Uani 1 1 d DG U . . .
C47_3 C 0.7848(5) 0.5224(4) 0.68444(13) 0.184 Uani 1 1 d DG U . . .
C48_3 C 0.9394(6) 0.5628(4) 0.62462(11) 0.170 Uani 1 1 d DG U . . .
C49_3 C 0.9205(3) 0.5569(3) 0.63039(16) 0.175 Uani 1 1 d DG U . . .
C50_3 C 0.9246(4) 0.5747(6) 0.63643(12) 0.175 Uani 1 1 d DG U . . .
C51_3 C 0.9476(6) 0.5983(5) 0.63668(11) 0.183 Uani 1 1 d DG U . . .
C52_3 C 0.9666(3) 0.6042(3) 0.63091(16) 0.181 Uani 1 1 d DG U . . .
N2_3 N 0.9625(4) 0.5865(5) 0.62487(11) 0.157 Uani 1 1 d DG U . . .
C53_3 C 0.7434(4) 0.6009(5) 0.66595(11) 0.161 Uani 1 1 d DG U . . .
C54_3 C 0.7523(3) 0.6273(4) 0.66700(10) 0.170 Uani 1 1 d DG U . . .
C55_3 C 0.7354(5) 0.6369(3) 0.66607(10) 0.152 Uani 1 1 d DG U . . .
N3_3 N 0.7096(4) 0.6201(5) 0.66410(9) 0.140 Uani 1 1 d DG U . . .
C56_3 C 0.7006(3) 0.5938(4) 0.66305(10) 0.147 Uani 1 1 d DG U . . .
C57_3 C 0.7175(5) 0.5842(3) 0.66398(11) 0.158 Uani 1 1 d DG U . . .
C58_3 C 0.7467(5) 0.5513(4) 0.71500(12) 0.203 Uani 1 1 d DG U . . .
C59_3 C 0.7617(3) 0.5560(3) 0.70815(17) 0.187 Uani 1 1 d DG U . . .
C60_3 C 0.7528(5) 0.5380(5) 0.70195(11) 0.181 Uani 1 1 d DG U . . .
C61_3 C 0.7289(5) 0.5154(4) 0.70259(12) 0.202 Uani 1 1 d DG U . . .
C62_3 C 0.7139(3) 0.5107(3) 0.70944(17) 0.179 Uani 1 1 d DG U . . .
N4_3 N 0.7228(5) 0.5286(5) 0.71564(11) 0.188 Uani 1 1 d DG U . . .
C63_3 C 0.8388(4) 0.4665(3) 0.71411(18) 0.210 Uani 1 1 d DG U . . .
C64_3 C 0.8382(4) 0.4768(5) 0.70671(13) 0.182 Uani 1 1 d DG U . . .
C65_3 C 0.8507(5) 0.5036(6) 0.70568(11) 0.193 Uani 1 1 d DG U . . .
C66_3 C 0.8637(4) 0.5200(3) 0.71205(18) 0.174 Uani 1 1 d DG U . . .
C67_3 C 0.8643(4) 0.5097(5) 0.71945(13) 0.209 Uani 1 1 d DG U . . .
N5_3 N 0.8518(4) 0.4829(6) 0.72048(10) 0.205 Uani 1 1 d DG U . . .
C68_3 C 0.9459(5) 0.4828(3) 0.66914(10) 0.177 Uani 1 1 d DG U . . .
C69_3 C 0.9265(3) 0.4894(4) 0.66924(11) 0.169 Uani 1 1 d DG U . . .
C70_3 C 0.9325(4) 0.5144(5) 0.67133(11) 0.165 Uani 1 1 d DG U . . .
C71_3 C 0.9579(5) 0.5328(3) 0.67332(10) 0.155 Uani 1 1 d DG U . . .
C72_3 C 0.9772(3) 0.5262(4) 0.67322(10) 0.150 Uani 1 1 d DG U . . .
N6_3 N 0.9712(4) 0.5012(5) 0.67113(10) 0.144 Uani 1 1 d DG U . . .
C1_5 C 0.7408(4) 0.5065(4) 0.7307(2) 0.240 Uani 1 1 d D U . . .
C2_5 C 0.7499(3) 0.4864(3) 0.73091(15) 0.246 Uani 1 1 d DG U . . .
C3_5 C 0.7763(2) 0.4948(2) 0.73147(15) 0.260 Uani 1 1 d DG U . . .
C4_5 C 0.7846(3) 0.4767(3) 0.73203(15) 0.266 Uani 1 1 d DG U . . .
C5_5 C 0.7665(3) 0.4503(2) 0.73203(15) 0.275 Uani 1 1 d DG U . . .
C6_5 C 0.7401(3) 0.4419(2) 0.73148(14) 0.272 Uani 1 1 d DG U . . .
C7_5 C 0.7318(2) 0.4600(3) 0.73092(14) 0.248 Uani 1 1 d DG U . . .
C8_5 C 0.8137(3) 0.4860(4) 0.7332(3) 0.267 Uani 1 1 d D U . . .
C9_5 C 0.7194(5) 0.4130(3) 0.73169(18) 0.273 Uani 1 1 d DG U . . .
C10_5 C 0.6967(6) 0.4038(5) 0.72726(15) 0.255 Uani 1 1 d DG U . . .
C11_5 C 0.6784(4) 0.3775(6) 0.72732(15) 0.257 Uani 1 1 d DG U . . .
C12_5 C 0.6827(5) 0.3603(2) 0.73181(18) 0.280 Uani 1 1 d DG U . . .
C13_5 C 0.7054(6) 0.3695(5) 0.73625(15) 0.292 Uani 1 1 d DG U . . .
C14_5 C 0.7238(4) 0.3958(6) 0.73619(15) 0.272 Uani 1 1 d DG U . . .
O1_5 O 0.7567(4) 0.5307(4) 0.72987(16) 0.262 Uani 1 1 d D U . . .
O2_5 O 0.7175(4) 0.4992(4) 0.72892(15) 0.232 Uani 1 1 d D U . . .
O3_5 O 0.8197(4) 0.4676(4) 0.73197(15) 0.242 Uani 1 1 d D U . . .
O4_5 O 0.8343(4) 0.5098(4) 0.73367(16) 0.265 Uani 1 1 d D U . . .
N1_5 N 0.666700 0.333302 0.731800 0.285 Uani 1 3 d DS TU P . .
N1_6 N 0.5247(3) 0.3765(3) 0.5715(2) 0.221 Uani 1 1 d DG U . . .
C1_6 C 0.5374(6) 0.3731(4) 0.56504(12) 0.217 Uani 1 1 d DG U . . .
C2_6 C 0.5574(5) 0.3679(4) 0.56633(17) 0.242 Uani 1 1 d DG U . . .
C3_6 C 0.5647(3) 0.3660(4) 0.5741(2) 0.246 Uani 1 1 d DG U . . .
C4_6 C 0.5520(6) 0.3694(4) 0.58055(12) 0.235 Uani 1 1 d DG U . . .
C5_6 C 0.5320(5) 0.3746(4) 0.57927(16) 0.199 Uani 1 1 d DG U . . .
C6_6 C 0.5857(4) 0.3588(4) 0.57576(18) 0.252 Uani 1 1 d DG U . . .
C7_6 C 0.5890(4) 0.3505(4) 0.58321(15) 0.238 Uani 1 1 d DG U . . .
C8_6 C 0.6084(4) 0.3441(4) 0.58432(11) 0.276 Uani 1 1 d DG U . . .
C9_6 C 0.6244(4) 0.3460(4) 0.57798(14) 0.272 Uani 1 1 d DG U . . .
C10_6 C 0.6210(4) 0.3543(5) 0.57053(11) 0.283 Uani 1 1 d DG U . . .
C11_6 C 0.6017(5) 0.3607(4) 0.56942(13) 0.274 Uani 1 1 d DG U . . .
C12_6 C 0.6456(7) 0.3388(10) 0.5792(2) 0.303 Uani 1 1 d D U . . .
C13_6 C 0.6709(10) 0.3593(4) 0.5784(2) 0.297 Uani 1 1 d D U . . .
C14_6 C 0.6791(4) 0.3883(3) 0.57752(13) 0.290 Uani 1 1 d DG U . . .
C15_6 C 0.6884(4) 0.4007(4) 0.57023(12) 0.314 Uani 1 1 d DG U . . .
C16_6 C 0.6929(4) 0.4258(4) 0.56915(10) 0.280 Uani 1 1 d DG U . . .
C17_6 C 0.6881(4) 0.4385(3) 0.57535(11) 0.268 Uani 1 1 d DG U . . .
C18_6 C 0.6789(4) 0.4260(3) 0.58265(10) 0.261 Uani 1 1 d DG U . . .
C19_6 C 0.6744(4) 0.4009(3) 0.58373(11) 0.269 Uani 1 1 d DG U . . .
C20_6 C 0.6994(4) 0.5069(3) 0.57805(13) 0.245 Uani 1 1 d DG U . . .
C21_6 C 0.6933(4) 0.4816(3) 0.57977(10) 0.278 Uani 1 1 d DG U . . .
C22_6 C 0.6881(4) 0.4640(3) 0.57360(10) 0.264 Uani 1 1 d DG U . . .
C23_6 C 0.6889(4) 0.4717(4) 0.56570(10) 0.256 Uani 1 1 d DG U . . .
C24_6 C 0.6950(4) 0.4970(4) 0.56398(12) 0.254 Uani 1 1 d DG U . . .
N2_6 N 0.7002(4) 0.5146(3) 0.57015(15) 0.243 Uani 1 1 d DG U . . .
N1_10 N 0.9077(3) 0.6406(8) 0.42941(14) 0.350 Uani 1 1 d DG U . . .
C1_10 C 0.8956(6) 0.6553(4) 0.42843(16) 0.354 Uani 1 1 d DG U . . .
C2_10 C 0.8687(7) 0.6431(7) 0.42806(16) 0.297 Uani 1 1 d DG U . . .
C3_10 C 0.8538(3) 0.6162(7) 0.42868(14) 0.294 Uani 1 1 d DG U . . .
C4_10 C 0.8659(7) 0.6015(4) 0.42966(16) 0.330 Uani 1 1 d DG U . . .
C5_10 C 0.8929(7) 0.6137(8) 0.43003(15) 0.341 Uani 1 1 d DG U . . .
C6_10 C 0.8239(3) 0.6061(6) 0.42756(15) 0.268 Uani 1 1 d DG U . . .
C7_10 C 0.8095(6) 0.5801(6) 0.42973(14) 0.261 Uani 1 1 d DG U . . .
C8_10 C 0.7826(6) 0.5667(4) 0.42886(14) 0.264 Uani 1 1 d DG U . . .
C9_10 C 0.7702(3) 0.5794(6) 0.42582(14) 0.232 Uani 1 1 d DG U . . .
C10_10 C 0.7846(6) 0.6054(6) 0.42365(13) 0.263 Uani 1 1 d DG U . . .
C11_10 C 0.8114(6) 0.6188(4) 0.42452(15) 0.278 Uani 1 1 d DG U . . .
C12_10 C 0.7400(3) 0.5669(4) 0.42586(16) 0.195 Uani 1 1 d DG U . . .
C13_10 C 0.7281(5) 0.5696(4) 0.43266(11) 0.219 Uani 1 1 d DG U . . .
C14_10 C 0.7014(5) 0.5599(4) 0.43272(11) 0.242 Uani 1 1 d DG U . . .
C15_10 C 0.6867(3) 0.5476(4) 0.42598(16) 0.239 Uani 1 1 d DG U . . .
C16_10 C 0.6986(5) 0.5450(4) 0.41918(11) 0.212 Uani 1 1 d DG U . . .
C17_10 C 0.7253(5) 0.5546(4) 0.41912(11) 0.181 Uani 1 1 d DG U . . .
C18_10 C 0.7412(4) 0.5540(5) 0.41263(10) 0.194 Uani 1 1 d DG U . . .
C19_10 C 0.7516(4) 0.5741(4) 0.40707(15) 0.206 Uani 1 1 d DG U . . .
C20_10 C 0.7634(4) 0.5718(4) 0.40019(12) 0.203 Uani 1 1 d DG U . . .
C21_10 C 0.7648(4) 0.5494(5) 0.39887(10) 0.191 Uani 1 1 d DG U . . .
C22_10 C 0.7543(4) 0.5293(4) 0.40443(15) 0.198 Uani 1 1 d DG U . . .
C23_10 C 0.7425(4) 0.5316(4) 0.41131(12) 0.209 Uani 1 1 d DG U . . .
C24_10 C 0.7425(6) 0.5824(7) 0.44074(15) 0.257 Uani 1 1 d D U . . .
C25_10 C 0.7525(9) 0.6089(7) 0.4422(2) 0.311 Uani 1 1 d D U . . .
C26_10 C 0.7691(8) 0.6228(6) 0.4486(2) 0.307 Uani 1 1 d D U . . .
C27_10 C 0.7702(8) 0.6077(7) 0.4546(2) 0.285 Uani 1 1 d D U . . .
C28_10 C 0.7596(8) 0.5813(7) 0.4536(2) 0.278 Uani 1 1 d D U . . .
C29_10 C 0.7428(7) 0.5681(5) 0.4473(2) 0.269 Uani 1 1 d D U . . .
C30_10 C 0.6852(6) 0.5629(7) 0.43936(16) 0.241 Uani 1 1 d D U . . .
C31_10 C 0.6849(7) 0.5859(6) 0.4411(2) 0.268 Uani 1 1 d D U . . .
C32_10 C 0.6665(8) 0.5852(7) 0.4466(2) 0.272 Uani 1 1 d D U . . .
C33_10 C 0.6589(7) 0.5676(7) 0.45298(17) 0.253 Uani 1 1 d D U . . .
C34_10 C 0.6566(7) 0.5440(6) 0.45086(19) 0.242 Uani 1 1 d D U . . .
C35_10 C 0.6728(7) 0.5428(6) 0.4449(2) 0.248 Uani 1 1 d D U . . .
C36_10 C 0.6570(4) 0.5376(6) 0.4248(2) 0.223 Uani 1 1 d D U . . .
C37_10 C 0.6459(6) 0.5521(5) 0.4221(2) 0.230 Uani 1 1 d D U . . .
C38_10 C 0.6186(6) 0.5414(6) 0.4229(2) 0.221 Uani 1 1 d D U . . .
C39_10 C 0.6021(4) 0.5148(6) 0.42378(19) 0.198 Uani 1 1 d D U . . .
C40_10 C 0.6132(6) 0.5009(5) 0.42690(19) 0.196 Uani 1 1 d D U . . .
C41_10 C 0.6404(6) 0.5116(6) 0.4269(2) 0.213 Uani 1 1 d D U . . .
C42_10 C 0.6850(6) 0.5360(6) 0.41118(15) 0.211 Uani 1 1 d D U . . .
C43_10 C 0.6817(7) 0.5501(5) 0.4054(2) 0.218 Uani 1 1 d D U . . .
C44_10 C 0.6640(7) 0.5370(6) 0.39914(18) 0.204 Uani 1 1 d D U . . .
C45_10 C 0.6552(6) 0.5108(6) 0.39761(14) 0.185 Uani 1 1 d D U . . .
C46_10 C 0.6588(6) 0.4962(5) 0.40362(19) 0.196 Uani 1 1 d D U . . .
C47_10 C 0.6749(7) 0.5097(6) 0.41002(17) 0.216 Uani 1 1 d D U . . .
C48_10 C 0.8054(6) 0.6236(7) 0.47463(15) 0.289 Uani 1 1 d DG U . . .
C49_10 C 0.7918(5) 0.6092(4) 0.4680(2) 0.280 Uani 1 1 d DG U . . .
C50_10 C 0.7887(5) 0.6216(6) 0.46138(14) 0.300 Uani 1 1 d DG U . . .
C51_10 C 0.7992(6) 0.6484(7) 0.46145(15) 0.307 Uani 1 1 d DG U . . .
C52_10 C 0.8128(5) 0.6628(4) 0.4681(2) 0.314 Uani 1 1 d DG U . . .
N2_10 N 0.8159(5) 0.6503(7) 0.47470(15) 0.306 Uani 1 1 d DG U . . .
C53_10 C 0.7741(6) 0.5433(6) 0.39058(13) 0.191 Uani 1 1 d D U . . .
C54_10 C 0.7825(6) 0.5615(5) 0.38432(17) 0.175 Uani 1 1 d D U . . .
C55_10 C 0.7910(5) 0.5574(5) 0.37683(15) 0.157 Uani 1 1 d D U . . .
N3_10 N 0.7951(5) 0.5362(5) 0.37669(13) 0.173 Uani 1 1 d D U . . .
C56_10 C 0.7876(7) 0.5186(6) 0.38298(19) 0.210 Uani 1 1 d D U . . .
C57_10 C 0.7733(6) 0.5193(5) 0.38957(16) 0.193 Uani 1 1 d D U . . .
C58_10 C 0.6282(4) 0.5057(5) 0.37633(10) 0.181 Uani 1 1 d DG U . . .
C59_10 C 0.6428(3) 0.5176(3) 0.38313(16) 0.142 Uani 1 1 d DG U . . .
C60_10 C 0.6413(4) 0.5026(5) 0.38972(10) 0.193 Uani 1 1 d DG U . . .
C61_10 C 0.6253(4) 0.4758(5) 0.38951(11) 0.213 Uani 1 1 d DG U . . .
C62_10 C 0.6107(3) 0.4639(3) 0.38270(16) 0.196 Uani 1 1 d DG U . . .
N4_10 N 0.6122(3) 0.4789(5) 0.37611(10) 0.165 Uani 1 1 d DG U . . .
C63_10 C 0.5300(5) 0.4682(3) 0.42449(10) 0.204 Uani 1 1 d DG U . . .
C64_10 C 0.5567(6) 0.4785(5) 0.42468(11) 0.207 Uani 1 1 d DG U . . .
C65_10 C 0.5732(3) 0.5050(6) 0.42365(11) 0.201 Uani 1 1 d DG U . . .
C66_10 C 0.5630(5) 0.5212(3) 0.42244(11) 0.207 Uani 1 1 d DG U . . .
C67_10 C 0.5363(6) 0.5110(5) 0.42225(11) 0.197 Uani 1 1 d DG U . . .
N5_10 N 0.5197(3) 0.4844(6) 0.42328(10) 0.169 Uani 1 1 d DG U . . .
C68_10 C 0.6158(5) 0.5544(5) 0.47159(12) 0.240 Uani 1 1 d DG U . . .
C69_10 C 0.6317(5) 0.5534(5) 0.46569(18) 0.215 Uani 1 1 d DG U . . .
C70_10 C 0.6410(4) 0.5718(6) 0.45959(13) 0.257 Uani 1 1 d DG U . . .
C71_10 C 0.6344(5) 0.5911(5) 0.45940(14) 0.288 Uani 1 1 d DG U . . .
C72_10 C 0.6185(5) 0.5921(5) 0.4653(2) 0.260 Uani 1 1 d DG U . . .
N6_10 N 0.6092(4) 0.5738(7) 0.47140(13) 0.255 Uani 1 1 d DG U . . .
C1_8 C 0.6505(4) 0.4739(4) 0.36398(19) 0.171 Uani 1 1 d D U . . .
C2_8 C 0.6727(4) 0.4679(4) 0.36462(18) 0.156 Uani 1 1 d D U . . .
C3_8 C 0.6975(4) 0.4895(4) 0.36429(17) 0.159 Uani 1 1 d D U . . .
C4_8 C 0.7173(3) 0.4839(4) 0.36560(16) 0.139 Uani 1 1 d D U . . .
C5_8 C 0.7123(4) 0.4585(4) 0.36557(15) 0.122 Uani 1 1 d D U . . .
C6_8 C 0.6878(4) 0.4378(3) 0.36737(17) 0.151 Uani 1 1 d D U . . .
C7_8 C 0.6681(4) 0.4425(4) 0.36493(17) 0.142 Uani 1 1 d D U . . .
C8_8 C 0.7453(4) 0.5071(4) 0.36463(19) 0.182 Uani 1 1 d D U . . .
C9_8 C 0.6827(6) 0.4102(3) 0.36891(15) 0.203 Uani 1 1 d DG U . . .
C10_8 C 0.6578(5) 0.3908(5) 0.37106(15) 0.260 Uani 1 1 d DG U . . .
C11_8 C 0.6518(3) 0.3651(4) 0.37135(15) 0.250 Uani 1 1 d DG U . . .
C12_8 C 0.6707(6) 0.3586(3) 0.36950(16) 0.209 Uani 1 1 d DG U . . .
C13_8 C 0.6956(5) 0.3779(5) 0.36736(16) 0.249 Uani 1 1 d DG U . . .
C14_8 C 0.7015(3) 0.4037(4) 0.36707(15) 0.266 Uani 1 1 d DG U . . .
O1_8 O 0.6552(4) 0.4970(4) 0.36271(14) 0.209 Uani 1 1 d D U . . .
O2_8 O 0.6273(3) 0.4563(4) 0.36464(11) 0.168 Uani 1 1 d D U . . .
O3_8 O 0.7629(3) 0.4994(3) 0.36466(12) 0.184 Uani 1 1 d D U . . .
O4_8 O 0.7527(4) 0.5323(4) 0.36553(14) 0.217 Uani 1 1 d D U . . .
N1_8 N 0.666667 0.333333 0.3701(3) 0.209 Uani 1 3 d DS TU P . .
C1_9 C 0.5044(7) 0.4942(5) 0.44046(16) 0.228 Uani 1 1 d D U . . .
C2_9 C 0.5114(6) 0.4919(5) 0.44881(12) 0.221 Uani 1 1 d D U . . .
C3_9 C 0.5252(6) 0.5153(5) 0.45308(16) 0.243 Uani 1 1 d D U . . .
C4_9 C 0.5352(6) 0.5174(5) 0.46077(16) 0.231 Uani 1 1 d D U . . .
C5_9 C 0.5263(7) 0.4946(6) 0.46518(14) 0.224 Uani 1 1 d D U . . .
C6_9 C 0.5109(6) 0.4711(5) 0.46121(16) 0.222 Uani 1 1 d D U . . .
C7_9 C 0.5021(6) 0.4693(5) 0.45331(16) 0.209 Uani 1 1 d D U . . .
C8_9 C 0.5487(6) 0.5436(5) 0.46508(17) 0.226 Uani 1 1 d D U . . .
C9_9 C 0.5007(7) 0.4464(5) 0.46594(18) 0.230 Uani 1 1 d D U . . .
C10_9 C 0.4934(8) 0.4239(7) 0.46145(14) 0.250 Uani 1 1 d D U . . .
C11_9 C 0.4824(8) 0.4001(6) 0.46542(19) 0.275 Uani 1 1 d D U . . .
C12_9 C 0.4791(8) 0.3990(5) 0.47377(19) 0.291 Uani 1 1 d D U . . .
C13_9 C 0.4852(8) 0.4211(7) 0.47821(14) 0.246 Uani 1 1 d D U . . .
C14_9 C 0.4957(7) 0.4449(6) 0.47416(18) 0.225 Uani 1 1 d D U . . .
C15_9 C 0.4747(7) 0.3728(8) 0.48621(15) 0.284 Uani 1 1 d D U . . .
C16_9 C 0.5007(6) 0.3901(7) 0.48796(18) 0.260 Uani 1 1 d D U . . .
C17_9 C 0.5080(5) 0.3931(7) 0.4960(2) 0.253 Uani 1 1 d D U . . .
C18_9 C 0.4896(7) 0.3803(7) 0.50196(14) 0.257 Uani 1 1 d D U . . .
C19_9 C 0.4639(6) 0.3621(7) 0.50012(18) 0.265 Uani 1 1 d D U . . .
C20_9 C 0.4567(6) 0.3577(7) 0.4921(2) 0.275 Uani 1 1 d D U . . .
C21_9 C 0.4452(5) 0.3506(5) 0.47497(16) 0.318 Uani 1 1 d DG U . . .
C22_9 C 0.4278(6) 0.3533(4) 0.47008(18) 0.299 Uani 1 1 d DG U . . .
C23_9 C 0.4077(5) 0.3316(7) 0.46638(14) 0.289 Uani 1 1 d DG U . . .
C24_9 C 0.4050(4) 0.3073(5) 0.46757(16) 0.299 Uani 1 1 d DG U . . .
C25_9 C 0.4224(6) 0.3045(4) 0.47245(18) 0.314 Uani 1 1 d DG U . . .
C26_9 C 0.4425(5) 0.3262(7) 0.47616(14) 0.314 Uani 1 1 d DG U . . .
C27_9 C 0.3800(4) 0.2831(4) 0.46463(15) 0.314 Uani 1 1 d DG U . . .
C28_9 C 0.3704(4) 0.2842(4) 0.45714(15) 0.320 Uani 1 1 d DG U . . .
C29_9 C 0.3499(5) 0.2619(5) 0.45382(12) 0.323 Uani 1 1 d DG U . . .
C30_9 C 0.3390(4) 0.2386(4) 0.45799(15) 0.324 Uani 1 1 d DG U . . .
C31_9 C 0.3486(5) 0.2375(4) 0.46547(15) 0.322 Uani 1 1 d DG U . . .
C32_9 C 0.3691(5) 0.2598(5) 0.46879(12) 0.312 Uani 1 1 d DG U . . .
C33_9 C 0.3343(6) 0.2623(5) 0.44648(17) 0.319 Uani 1 1 d D U . . .
C34_9 C 0.3340(6) 0.2135(5) 0.47078(18) 0.312 Uani 1 1 d D U . . .
C35_9 C 0.4966(7) 0.3791(6) 0.51076(14) 0.270 Uani 1 1 d D U . . .
C36_9 C 0.4832(7) 0.3558(5) 0.51490(17) 0.272 Uani 1 1 d D U . . .
C37_9 C 0.4920(6) 0.3545(5) 0.52251(17) 0.287 Uani 1 1 d D U . . .
C38_9 C 0.5081(7) 0.3779(5) 0.52642(16) 0.261 Uani 1 1 d D U . . .
C39_9 C 0.5198(7) 0.4018(5) 0.52249(16) 0.268 Uani 1 1 d D U . . .
C40_9 C 0.5148(7) 0.4025(5) 0.51432(16) 0.265 Uani 1 1 d D U . . .
C41_9 C 0.4742(7) 0.3301(6) 0.52747(19) 0.317 Uani 1 1 d D U . . .
C42_9 C 0.5416(6) 0.4261(5) 0.52658(17) 0.277 Uani 1 1 d D U . . .
O1_9 O 0.4903(4) 0.4696(4) 0.43662(10) 0.211 Uani 1 1 d D U . . .
O2_9 O 0.5111(5) 0.5148(5) 0.43700(11) 0.273 Uani 1 1 d D U . . .
O3_9 O 0.5600(5) 0.5644(5) 0.46050(14) 0.286 Uani 1 1 d D U . . .
O4_9 O 0.5587(5) 0.5441(5) 0.47198(13) 0.240 Uani 1 1 d D U . . .
O5_9 O 0.3487(5) 0.2820(5) 0.44141(13) 0.330 Uani 1 1 d D U . . .
O6_9 O 0.3169(5) 0.2413(4) 0.44374(17) 0.327 Uani 1 1 d D U . . .
O7_9 O 0.3171(6) 0.1906(6) 0.46781(18) 0.409 Uani 1 1 d D U . . .
O8_9 O 0.3475(5) 0.2127(5) 0.47686(16) 0.294 Uani 1 1 d D U . . .
O9_9 O 0.4552(5) 0.3118(6) 0.52319(17) 0.328 Uani 1 1 d D U . . .
O10_9 O 0.4818(6) 0.3317(6) 0.53481(18) 0.391 Uani 1 1 d D U . . .
O11_9 O 0.5515(5) 0.4506(5) 0.52218(15) 0.269 Uani 1 1 d D U . . .
O12_9 O 0.5440(6) 0.4301(6) 0.53343(14) 0.324 Uani 1 1 d D U . . .
N1_9 N 0.4678(6) 0.3759(5) 0.47819(16) 0.314 Uani 1 1 d D U . . .
N1_11 N 0.6047(7) 0.4628(6) 0.5253(2) 0.275 Uani 1 1 d D U . . .
C1_11 C 0.6007(8) 0.4446(8) 0.5311(2) 0.305 Uani 1 1 d D U . . .
C2_11 C 0.6160(9) 0.4328(8) 0.53096(19) 0.317 Uani 1 1 d D U . . .
C3_11 C 0.6235(9) 0.4293(7) 0.5234(3) 0.302 Uani 1 1 d D U . . .
C4_11 C 0.6236(8) 0.4450(8) 0.51724(18) 0.289 Uani 1 1 d D U . . .
C5_11 C 0.6105(8) 0.4588(8) 0.51754(19) 0.261 Uani 1 1 d D U . . .
C6_11 C 0.6292(6) 0.4074(5) 0.5215(2) 0.319 Uani 1 1 d DG U . . .
C7_11 C 0.6383(6) 0.4041(6) 0.51423(16) 0.330 Uani 1 1 d DG U . . .
C8_11 C 0.6472(6) 0.3866(6) 0.51354(14) 0.336 Uani 1 1 d DG U . . .
C9_11 C 0.6470(6) 0.3723(5) 0.52015(19) 0.349 Uani 1 1 d DG U . . .
C10_11 C 0.6379(6) 0.3756(6) 0.52746(15) 0.364 Uani 1 1 d DG U . . .
C11_11 C 0.6290(6) 0.3931(6) 0.52816(15) 0.325 Uani 1 1 d DG U . . .
C12_11 C 0.6594(11) 0.3550(9) 0.5199(3) 0.334 Uani 1 1 d D U . . .
C13_11 C 0.6416(6) 0.3285(11) 0.5204(3) 0.330 Uani 1 1 d D U . . .
C14_11 C 0.6118(6) 0.3152(8) 0.5206(2) 0.325 Uani 1 1 d D U . . .
C15_11 C 0.5997(6) 0.3093(9) 0.52808(19) 0.340 Uani 1 1 d D U . . .
C16_11 C 0.5728(6) 0.2988(10) 0.5284(2) 0.352 Uani 1 1 d D U . . .
C17_11 C 0.5591(5) 0.2996(9) 0.5217(2) 0.328 Uani 1 1 d D U . . .
C18_11 C 0.5728(6) 0.3071(8) 0.51458(18) 0.328 Uani 1 1 d D U . . .
C19_11 C 0.5999(6) 0.3227(7) 0.5149(2) 0.325 Uani 1 1 d D U . . .
C20_11 C 0.4890(6) 0.2838(4) 0.51753(18) 0.305 Uani 1 1 d DG U . . .
C21_11 C 0.5146(7) 0.2897(5) 0.51632(13) 0.323 Uani 1 1 d DG U . . .
C22_11 C 0.5304(4) 0.2928(5) 0.5228(2) 0.315 Uani 1 1 d DG U . . .
C23_11 C 0.5207(6) 0.2900(5) 0.53056(16) 0.318 Uani 1 1 d DG U . . .
C24_11 C 0.4952(7) 0.2841(5) 0.53177(15) 0.325 Uani 1 1 d DG U . . .
N2_11 N 0.4794(4) 0.2810(4) 0.5253(2) 0.296 Uani 1 1 d DG U . . .
C1_12 C 0.5529(2) 0.5327(4) 0.68613(14) 0.196 Uani 1 1 d D U . . .
C2_12 C 0.5691(5) 0.5254(7) 0.68066(18) 0.236 Uani 1 1 d D U . . .
C3_12 C 0.5041(4) 0.4817(2) 0.68788(14) 0.195 Uani 1 1 d D U . . .
C4_12 C 0.5100(7) 0.4833(6) 0.69694(15) 0.246 Uani 1 1 d D U . . .
C5_12 C 0.5022(4) 0.5309(4) 0.68811(14) 0.177 Uani 1 1 d D U . . .
C6_12 C 0.4725(4) 0.5162(6) 0.68729(18) 0.208 Uani 1 1 d D U . . .
P1_12 P 0.51791(18) 0.51428(17) 0.68304(5) 0.181 Uani 1 1 d D U . . .
C1_13 C 0.5373(3) 0.5594(4) 0.65674(7) 0.141 Uani 1 1 d D U . . .
C2_13 C 0.5595(4) 0.5536(4) 0.65543(13) 0.124 Uani 1 1 d D U . . .
C3_13 C 0.5516(3) 0.5760(4) 0.67369(10) 0.178 Uani 1 1 d D U . . .
C4_13 C 0.5633(5) 0.6038(4) 0.67027(17) 0.181 Uani 1 1 d D U . . .
C5_13 C 0.4972(3) 0.5566(4) 0.66813(11) 0.164 Uani 1 1 d D U . . .
C6_13 C 0.4745(4) 0.5379(4) 0.66268(15) 0.148 Uani 1 1 d D U . . .
P1_13 P 0.52525(17) 0.55090(15) 0.66724(6) 0.163 Uani 1 1 d D U . . .
C1_14 C 0.3500(3) 0.3538(5) 0.60710(12) 0.193 Uani 1 1 d D U . . .
C2_14 C 0.3384(4) 0.3525(6) 0.61546(14) 0.199 Uani 1 1 d D U . . .
C3_14 C 0.3881(5) 0.3376(4) 0.61219(13) 0.218 Uani 1 1 d D U . . .
C4_14 C 0.3704(7) 0.3136(5) 0.6070(2) 0.258 Uani 1 1 d D U . . .
C5_14 C 0.4000(4) 0.3730(5) 0.59825(9) 0.198 Uani 1 1 d D U . . .
C6_14 C 0.4261(5) 0.3737(7) 0.59900(16) 0.209 Uani 1 1 d D U . . .
P1_14 P 0.3855(2) 0.3659(2) 0.60851(6) 0.224 Uani 1 1 d D U . . .
C1_15 C 0.3993(4) 0.4503(4) 0.61709(12) 0.207 Uani 1 1 d D U . . .
C2_15 C 0.3736(5) 0.4320(5) 0.6213(2) 0.251 Uani 1 1 d D U . . .
C3_15 C 0.3825(4) 0.4212(4) 0.60166(11) 0.198 Uani 1 1 d D U . . .
C4_15 C 0.3827(6) 0.4449(5) 0.59787(18) 0.202 Uani 1 1 d D U . . .
C5_15 C 0.4390(3) 0.4540(4) 0.60544(14) 0.216 Uani 1 1 d D U . . .
C6_15 C 0.4453(7) 0.4407(6) 0.59862(19) 0.273 Uani 1 1 d D U . . .
P1_15 P 0.4068(2) 0.43075(18) 0.60995(6) 0.202 Uani 1 1 d D U . . .
C1_16 C 0.6985(3) 0.6696(3) 0.68140(13) 0.166 Uani 1 1 d D U . . .
C2_16 C 0.7279(4) 0.6812(5) 0.67998(19) 0.195 Uani 1 1 d D U . . .
C3_16 C 0.6900(4) 0.6159(3) 0.67968(14) 0.183 Uani 1 1 d D U . . .
C4_16 C 0.6905(7) 0.6177(6) 0.68890(14) 0.236 Uani 1 1 d D U . . .
C5_16 C 0.6456(2) 0.6256(4) 0.67778(15) 0.180 Uani 1 1 d D U . . .
C6_16 C 0.6277(4) 0.5977(4) 0.67479(19) 0.187 Uani 1 1 d D U . . .
P1_16 P 0.68081(17) 0.63915(17) 0.67532(5) 0.166 Uani 1 1 d D U . . .
C1_17 C 0.6914(4) 0.6929(3) 0.65381(11) 0.198 Uani 1 1 d D U . . .
C2_17 C 0.7092(5) 0.7095(4) 0.66078(16) 0.184 Uani 1 1 d D U . . .
C3_17 C 0.6484(4) 0.6676(4) 0.66565(10) 0.211 Uani 1 1 d D U . . .
C4_17 C 0.6340(6) 0.6808(6) 0.66199(18) 0.218 Uani 1 1 d D U . . .
C5_17 C 0.6452(4) 0.6413(4) 0.65017(10) 0.205 Uani 1 1 d D U . . .
C6_17 C 0.6233(4) 0.6144(4) 0.65296(16) 0.180 Uani 1 1 d D U . . .
P1_17 P 0.66828(17) 0.66079(18) 0.65837(6) 0.180 Uani 1 1 d D U . . .
C1_18 C 0.4870(5) 0.4405(4) 0.57402(11) 0.214 Uani 1 1 d D U . . .
C2_18 C 0.4707(6) 0.4248(5) 0.58124(13) 0.191 Uani 1 1 d D U . . .
C3_18 C 0.4481(3) 0.3976(4) 0.56370(14) 0.233 Uani 1 1 d D U . . .
C4_18 C 0.4403(6) 0.4166(7) 0.5600(2) 0.275 Uani 1 1 d D U . . .
C5_18 C 0.4995(4) 0.4366(4) 0.55697(10) 0.221 Uani 1 1 d D U . . .
C6_18 C 0.4924(6) 0.4187(5) 0.54964(13) 0.206 Uani 1 1 d D U . . .
P1_18 P 0.4835(2) 0.4168(2) 0.56609(7) 0.229 Uani 1 1 d D U . . .
C1_19 C 0.4372(4) 0.3438(7) 0.57358(14) 0.298 Uani 1 1 d D U . . .
C2_19 C 0.4470(6) 0.3453(7) 0.58225(15) 0.284 Uani 1 1 d D U . . .
C3_19 C 0.4791(5) 0.3311(6) 0.57060(17) 0.312 Uani 1 1 d D U . . .
C4_19 C 0.4584(7) 0.3037(5) 0.5677(3) 0.343 Uani 1 1 d D U . . .
C5_19 C 0.4557(5) 0.3445(7) 0.55694(10) 0.305 Uani 1 1 d D U . . .
C6_19 C 0.4779(6) 0.3449(8) 0.55199(18) 0.294 Uani 1 1 d D U . . .
P1_19 P 0.4673(2) 0.3539(3) 0.56751(10) 0.315 Uani 1 1 d D U . . .
C1_20 C 0.7026(6) 0.6054(5) 0.57408(11) 0.268 Uani 1 1 d D U . . .
C2_20 C 0.6937(9) 0.5861(7) 0.58104(15) 0.284 Uani 1 1 d D U . . .
C3_20 C 0.6703(4) 0.5762(6) 0.56000(16) 0.318 Uani 1 1 d D U . . .
C4_20 C 0.6521(7) 0.5744(11) 0.5669(3) 0.440 Uani 1 1 d D U . . .
C5_20 C 0.7270(5) 0.6131(5) 0.55801(16) 0.325 Uani 1 1 d D U . . .
C6_20 C 0.7413(9) 0.6017(8) 0.5533(3) 0.409 Uani 1 1 d D U . . .
P1_20 P 0.7026(3) 0.5874(2) 0.56485(8) 0.282 Uani 1 1 d D U . . .
C1_21 C 0.8359(5) 0.6503(4) 0.59353(8) 0.210 Uani 1 1 d D U . . .
C2_21 C 0.8216(6) 0.6202(4) 0.59345(19) 0.236 Uani 1 1 d D U . . .
C3_21 C 0.8585(4) 0.6524(4) 0.60962(12) 0.218 Uani 1 1 d D U . . .
C4_21 C 0.8834(5) 0.6568(7) 0.6054(2) 0.235 Uani 1 1 d D U . . .
C5_21 C 0.8600(4) 0.6996(2) 0.60286(13) 0.192 Uani 1 1 d D U . . .
C6_21 C 0.8641(5) 0.7126(5) 0.61115(15) 0.187 Uani 1 1 d D U . . .
P1_21 P 0.83878(16) 0.66354(19) 0.60390(7) 0.200 Uani 1 1 d D U . . .
C1_22 C 0.7642(5) 0.6403(4) 0.59340(12) 0.260 Uani 1 1 d D U . . .
C2_22 C 0.7468(7) 0.6142(5) 0.5978(2) 0.275 Uani 1 1 d D U . . .
C3_22 C 0.8041(4) 0.6959(4) 0.59617(16) 0.287 Uani 1 1 d D U . . .
C4_22 C 0.7884(8) 0.7035(8) 0.5905(3) 0.350 Uani 1 1 d D U . . .
C5_22 C 0.7565(4) 0.6705(5) 0.60634(17) 0.270 Uani 1 1 d D U . . .
C6_22 C 0.7709(7) 0.6986(5) 0.6097(2) 0.278 Uani 1 1 d D U . . .
P1_22 P 0.7815(3) 0.6649(2) 0.60142(8) 0.257 Uani 1 1 d D U . . .
C1_23 C 0.7554(5) 0.5761(5) 0.55411(10) 0.292 Uani 1 1 d D U . . .
C2_23 C 0.7340(6) 0.5560(8) 0.54862(17) 0.316 Uani 1 1 d D U . . .
C3_23 C 0.7551(6) 0.5416(4) 0.56710(18) 0.322 Uani 1 1 d D U . . .
C4_23 C 0.7845(6) 0.5536(8) 0.5653(3) 0.354 Uani 1 1 d D U . . .
C5_23 C 0.7679(5) 0.5958(4) 0.57086(14) 0.298 Uani 1 1 d D U . . .
C6_23 C 0.7645(7) 0.5868(7) 0.57964(15) 0.320 Uani 1 1 d D U . . .
P1_23 P 0.7456(2) 0.5666(3) 0.56477(9) 0.297 Uani 1 1 d D U . . .
C1_24 C 0.9206(5) 0.4985(4) 0.73801(14) 0.293 Uani 1 1 d D U . . .
C2_24 C 0.9246(7) 0.5257(5) 0.7361(3) 0.308 Uani 1 1 d D U . . .
C3_24 C 0.9074(5) 0.4916(5) 0.72066(11) 0.289 Uani 1 1 d D U . . .
C4_24 C 0.9339(6) 0.4930(7) 0.7192(2) 0.289 Uani 1 1 d D U . . .
C5_24 C 0.8941(6) 0.4454(3) 0.73092(18) 0.303 Uani 1 1 d D U . . .
C6_24 C 0.8757(8) 0.4256(6) 0.7247(2) 0.322 Uani 1 1 d D U . . .
P1_24 P 0.8944(2) 0.4771(2) 0.73076(9) 0.285 Uani 1 1 d D U . . .
C1_25 C 0.6485(2) 0.5306(4) 0.72385(15) 0.241 Uani 1 1 d D U . . .
C2_25 C 0.6375(5) 0.5071(5) 0.71814(19) 0.245 Uani 1 1 d D U . . .
C3_25 C 0.6908(4) 0.5537(5) 0.71176(9) 0.228 Uani 1 1 d D U . . .
C4_25 C 0.6737(6) 0.5653(6) 0.70913(18) 0.234 Uani 1 1 d D U . . .
C5_25 C 0.6974(4) 0.5796(3) 0.72758(15) 0.252 Uani 1 1 d D U . . .
C6_25 C 0.7266(5) 0.5959(5) 0.7254(3) 0.286 Uani 1 1 d D U . . .
P1_25 P 0.68483(19) 0.54692(19) 0.72279(8) 0.234 Uani 1 1 d D U . . .
C1_26 C 0.6848(6) 0.5426(5) 0.7450(2) 0.347 Uani 1 1 d D U . . .
C2_26 C 0.7129(7) 0.5604(8) 0.7480(3) 0.429 Uani 1 1 d D U . . .
C3_26 C 0.7082(5) 0.5085(6) 0.7455(2) 0.362 Uani 1 1 d D U . . .
C4_26 C 0.6894(9) 0.4894(10) 0.7519(3) 0.407 Uani 1 1 d D U . . .
C5_26 C 0.6541(4) 0.4877(5) 0.7395(2) 0.340 Uani 1 1 d D U . . .
C6_26 C 0.6514(8) 0.4671(6) 0.7334(3) 0.378 Uani 1 1 d D U . . .
P1_26 P 0.6875(3) 0.5172(3) 0.73916(8) 0.321 Uani 1 1 d D U . . .
C1_27 C 0.8371(6) 0.4809(6) 0.7494(2) 0.370 Uani 1 1 d D U . . .
C2_27 C 0.8591(8) 0.5058(6) 0.7532(2) 0.311 Uani 1 1 d D U . . .
C3_27 C 0.8797(4) 0.4691(6) 0.7517(2) 0.366 Uani 1 1 d D U . . .
C4_27 C 0.8696(9) 0.4564(10) 0.7601(2) 0.407 Uani 1 1 d D U . . .
C5_27 C 0.8260(5) 0.4263(4) 0.74834(19) 0.385 Uani 1 1 d D U . . .
C6_27 C 0.8138(10) 0.4083(6) 0.7411(2) 0.425 Uani 1 1 d D U . . .
P1_27 P 0.8504(3) 0.4604(3) 0.74538(8) 0.338 Uani 1 1 d D U . . .
C1_28 C 0.5545(4) 0.4802(4) 0.35791(9) 0.186 Uani 1 1 d D U . . .
C2_28 C 0.5778(5) 0.5080(4) 0.35827(18) 0.209 Uani 1 1 d D U . . .
C3_28 C 0.5631(4) 0.4830(4) 0.37552(9) 0.171 Uani 1 1 d D U . . .
C4_28 C 0.5398(5) 0.4875(6) 0.37656(17) 0.196 Uani 1 1 d D U . . .
C5_28 C 0.5295(3) 0.4317(3) 0.36762(12) 0.181 Uani 1 1 d D U . . .
C6_28 C 0.5273(6) 0.4181(5) 0.37561(14) 0.226 Uani 1 1 d D U . . .
P1_28 P 0.56049(18) 0.46341(19) 0.36646(5) 0.170 Uani 1 1 d D U . . .
C1_29 C 0.6123(4) 0.4541(5) 0.34633(15) 0.266 Uani 1 1 d D U . . .
C2_29 C 0.6202(7) 0.4829(5) 0.3455(2) 0.283 Uani 1 1 d D U . . .
C3_29 C 0.5549(3) 0.4311(5) 0.34797(14) 0.221 Uani 1 1 d D U . . .
C4_29 C 0.5513(5) 0.4118(7) 0.34119(18) 0.230 Uani 1 1 d D U . . .
C5_29 C 0.5813(5) 0.4049(4) 0.35536(16) 0.282 Uani 1 1 d D U . . .
C6_29 C 0.5667(9) 0.3921(6) 0.36316(19) 0.323 Uani 1 1 d D U . . .
P1_29 P 0.5848(2) 0.4379(2) 0.35368(6) 0.240 Uani 1 1 d D U . . .
C1_30 C 0.7792(4) 0.4809(3) 0.35035(17) 0.287 Uani 1 1 d D U . . .
C2_30 C 0.7806(8) 0.4630(5) 0.3568(2) 0.325 Uani 1 1 d D U . . .
C3_30 C 0.8370(3) 0.5132(5) 0.35042(15) 0.238 Uani 1 1 d D U . . .
C4_30 C 0.8361(6) 0.5043(6) 0.34170(16) 0.210 Uani 1 1 d D U . . .
C5_30 C 0.8051(5) 0.5369(4) 0.34595(16) 0.256 Uani 1 1 d D U . . .
C6_30 C 0.7795(5) 0.5375(7) 0.3464(2) 0.257 Uani 1 1 d D U . . .
P1_30 P 0.8067(2) 0.5136(2) 0.35318(6) 0.241 Uani 1 1 d D U . . .
C1_31 C 0.8655(4) 0.5339(4) 0.36948(13) 0.185 Uani 1 1 d D U . . .
C2_31 C 0.8514(6) 0.5113(5) 0.37545(18) 0.216 Uani 1 1 d D U . . .
C3_31 C 0.8487(5) 0.5675(4) 0.37785(9) 0.183 Uani 1 1 d D U . . .
C4_31 C 0.8780(5) 0.5840(8) 0.3798(2) 0.285 Uani 1 1 d D U . . .
C5_31 C 0.8634(4) 0.5761(4) 0.36057(10) 0.185 Uani 1 1 d D U . . .
C6_31 C 0.8520(6) 0.5944(5) 0.36049(17) 0.200 Uani 1 1 d D U . . .
P1_31 P 0.84577(18) 0.5502(2) 0.36823(6) 0.191 Uani 1 1 d D U . . .
C1_32 C 0.4496(3) 0.4291(2) 0.40992(16) 0.217 Uani 1 1 d D U . . .
C2_32 C 0.4660(6) 0.4158(5) 0.4100(2) 0.225 Uani 1 1 d D U . . .
C3_32 C 0.5014(3) 0.4755(4) 0.40653(13) 0.194 Uani 1 1 d D U . . .
C4_32 C 0.4958(5) 0.4726(6) 0.39745(13) 0.197 Uani 1 1 d D U . . .
C5_32 C 0.4548(4) 0.4815(4) 0.40857(15) 0.200 Uani 1 1 d D U . . .
C6_32 C 0.4708(6) 0.5110(4) 0.4099(2) 0.236 Uani 1 1 d D U . . .
P1_32 P 0.47129(18) 0.4641(2) 0.41261(5) 0.198 Uani 1 1 d D U . . .
C1_33 C 0.4281(5) 0.4189(3) 0.43500(13) 0.234 Uani 1 1 d D U . . .
C2_33 C 0.4222(7) 0.3981(5) 0.42860(17) 0.255 Uani 1 1 d D U . . .
C3_33 C 0.4134(4) 0.4484(5) 0.42367(11) 0.218 Uani 1 1 d D U . . .
C4_33 C 0.3881(5) 0.4402(7) 0.42837(18) 0.216 Uani 1 1 d D U . . .
C5_33 C 0.4399(5) 0.4724(4) 0.43907(10) 0.227 Uani 1 1 d D U . . .
C6_33 C 0.4451(7) 0.4992(5) 0.43631(19) 0.268 Uani 1 1 d D U . . .
P1_33 P 0.43967(19) 0.4518(2) 0.43053(6) 0.229 Uani 1 1 d D U . . .
C1_34 C 0.5330(7) 0.5858(6) 0.48266(15) 0.364 Uani 1 1 d D U . . .
C2_34 C 0.5374(9) 0.5923(8) 0.47371(16) 0.335 Uani 1 1 d D U . . .
C3_34 C 0.5546(6) 0.5738(6) 0.49705(11) 0.370 Uani 1 1 d D U . . .
C4_34 C 0.5282(8) 0.5675(10) 0.5007(2) 0.388 Uani 1 1 d D U . . .
C5_34 C 0.5257(6) 0.5329(4) 0.48483(18) 0.386 Uani 1 1 d D U . . .
C6_34 C 0.5289(11) 0.5169(7) 0.4915(3) 0.448 Uani 1 1 d D U . . .
P1_34 P 0.5502(3) 0.5682(3) 0.48596(8) 0.344 Uani 1 1 d D U . . .
C1_35 C 0.6154(7) 0.6322(5) 0.48937(16) 0.342 Uani 1 1 d D U . . .
C2_35 C 0.6108(11) 0.6445(7) 0.4819(2) 0.357 Uani 1 1 d D U . . .
C3_35 C 0.6457(5) 0.6122(6) 0.48076(18) 0.353 Uani 1 1 d D U . . .
C4_35 C 0.6670(6) 0.6370(8) 0.4849(3) 0.368 Uani 1 1 d D U . . .
C5_35 C 0.6155(8) 0.5850(6) 0.49537(12) 0.353 Uani 1 1 d D U . . .
C6_35 C 0.6221(11) 0.5633(8) 0.4941(2) 0.361 Uani 1 1 d D U . . .
P1_35 P 0.6141(3) 0.6014(3) 0.48599(8) 0.332 Uani 1 1 d D U . . .
C1_36 C 0.5589(9) 0.4862(7) 0.51590(16) 0.479 Uani 1 1 d D U . . .
C2_36 C 0.5538(13) 0.5033(12) 0.5101(2) 0.509 Uani 1 1 d D U . . .
C3_36 C 0.5653(9) 0.5324(5) 0.5249(2) 0.464 Uani 1 1 d D U . . .
C4_36 C 0.5800(11) 0.5442(9) 0.5170(3) 0.503 Uani 1 1 d D U . . .
C5_36 C 0.5295(5) 0.4789(7) 0.53104(19) 0.433 Uani 1 1 d D U . . .
C6_36 C 0.5313(8) 0.4814(11) 0.54018(19) 0.395 Uani 1 1 d D U . . .
P1_36 P 0.5620(4) 0.4996(5) 0.52628(11) 0.443 Uani 1 1 d D U . . .
C1_37 C 0.6340(7) 0.5448(5) 0.52299(15) 0.355 Uani 1 1 d D U . . .
C2_37 C 0.6327(10) 0.5334(8) 0.51464(15) 0.394 Uani 1 1 d D U . . .
C3_37 C 0.6498(7) 0.5097(8) 0.53081(17) 0.365 Uani 1 1 d D U . . .
C4_37 C 0.6590(9) 0.5116(11) 0.5395(2) 0.375 Uani 1 1 d D U . . .
C5_37 C 0.6224(7) 0.5315(6) 0.54025(12) 0.342 Uani 1 1 d D U . . .
C6_37 C 0.6109(9) 0.5105(8) 0.54677(17) 0.353 Uani 1 1 d D U . . .
P1_37 P 0.6229(3) 0.5173(3) 0.53029(9) 0.343 Uani 1 1 d D U . . .
C1_38 C 0.3984(7) 0.2134(7) 0.5205(2) 0.596 Uani 1 1 d D U . . .
C2_38 C 0.4061(11) 0.2253(12) 0.5121(2) 0.628 Uani 1 1 d D U . . .
C3_38 C 0.4074(7) 0.2269(9) 0.5379(2) 0.622 Uani 1 1 d D U . . .
C4_38 C 0.4259(12) 0.2464(12) 0.5442(2) 0.674 Uani 1 1 d D U . . .
C5_38 C 0.4491(6) 0.2266(9) 0.5280(3) 0.608 Uani 1 1 d D U . . .
C6_38 C 0.4393(11) 0.1999(10) 0.5319(5) 0.609 Uani 1 1 d D U . . .
P1_38 P 0.4234(4) 0.2359(4) 0.52784(16) 0.604 Uani 1 1 d D U . . .
C1_39 C 0.4016(7) 0.2940(8) 0.53646(17) 0.460 Uani 1 1 d D U . . .
C2_39 C 0.4292(9) 0.3124(11) 0.5396(3) 0.492 Uani 1 1 d D U . . .
C3_39 C 0.3807(9) 0.2418(4) 0.5289(3) 0.484 Uani 1 1 d D U . . .
C4_39 C 0.3566(8) 0.2350(9) 0.5237(4) 0.526 Uani 1 1 d D U . . .
C5_39 C 0.3899(7) 0.2873(8) 0.51898(17) 0.433 Uani 1 1 d D U . . .
C6_39 C 0.4041(10) 0.2875(11) 0.51124(18) 0.404 Uani 1 1 d D U . . .
P1_39 P 0.4042(3) 0.2773(4) 0.52730(13) 0.456 Uani 1 1 d D U . . .
C1_40 C 1.0029(6) 0.7194(4) 0.4384(3) 0.427 Uani 1 1 d D U . . .
C2_40 C 0.9840(8) 0.7269(7) 0.4423(4) 0.453 Uani 1 1 d D U . . .
C3_40 C 1.0068(5) 0.6736(5) 0.43297(15) 0.425 Uani 1 1 d D U . . .
C4_40 C 0.9948(7) 0.6439(6) 0.4324(3) 0.412 Uani 1 1 d D U . . .
C5_40 C 0.9795(7) 0.6711(7) 0.44826(13) 0.444 Uani 1 1 d D U . . .
C6_40 C 0.9497(7) 0.6554(12) 0.4495(3) 0.472 Uani 1 1 d D U . . .
P1_40 P 0.9846(3) 0.6832(4) 0.43774(11) 0.411 Uani 1 1 d D U . . .
C1_41 C 0.7842(5) 0.6627(8) 0.48600(19) 0.594 Uani 1 1 d D U . . .
C2_41 C 0.7658(8) 0.6345(9) 0.4887(4) 0.604 Uani 1 1 d D U . . .
C3_41 C 0.8291(8) 0.7089(4) 0.4935(2) 0.625 Uani 1 1 d D U . . .
C4_41 C 0.8419(15) 0.7244(7) 0.4858(3) 0.667 Uani 1 1 d D U . . .
C5_41 C 0.8085(6) 0.6562(7) 0.50076(13) 0.579 Uani 1 1 d D U . . .
C6_41 C 0.8001(13) 0.6273(7) 0.4993(3) 0.547 Uani 1 1 d D U . . .
P1_41 P 0.8163(5) 0.6739(4) 0.49100(13) 0.605 Uani 1 1 d D U . . .
C1_42 C 0.8721(8) 0.6867(8) 0.50207(10) 0.646 Uani 1 1 d D U . . .
C2_42 C 0.8538(16) 0.6570(9) 0.5032(3) 0.711 Uani 1 1 d D U . . .
C3_42 C 0.9015(6) 0.6730(7) 0.4905(2) 0.619 Uani 1 1 d D U . . .
C4_42 C 0.9205(13) 0.6831(14) 0.4976(4) 0.647 Uani 1 1 d D U . . .
C5_42 C 0.9014(6) 0.7229(4) 0.4887(2) 0.625 Uani 1 1 d D U . . .
C6_42 C 0.9112(13) 0.7255(9) 0.4800(3) 0.646 Uani 1 1 d D U . . .
P1_42 P 0.8801(5) 0.6877(4) 0.49121(11) 0.611 Uani 1 1 d D U . . .
C1_43 C 0.9569(5) 0.6963(5) 0.41761(19) 0.553 Uani 1 1 d D U . . .
C2_43 C 0.9811(8) 0.7203(6) 0.4210(3) 0.560 Uani 1 1 d D U . . .
C3_43 C 0.9953(3) 0.6795(6) 0.42152(17) 0.589 Uani 1 1 d D U . . .
C4_43 C 0.9995(9) 0.6567(10) 0.4192(2) 0.669 Uani 1 1 d D U . . .
C5_43 C 0.9445(5) 0.6420(6) 0.41413(11) 0.510 Uani 1 1 d D U . . .
C6_43 C 0.9607(7) 0.6284(7) 0.4136(3) 0.488 Uani 1 1 d D U . . .
P1_43 P 0.9596(2) 0.6685(3) 0.42172(11) 0.523 Uani 1 1 d D U . . .


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
Pt1 O1_1 2.000(15) . ?
Pt1 N6_3 2.03(18) 2_655 ?
Pt1 P1_12 2.191(9) . ?
Pt1 P1_13 2.269(8) . ?
Pt2 O4_1 2.063(16) . ?
Pt2 N2_3 2.1(3) 2_655 ?
Pt2 P1_15 2.226(9) . ?
Pt2 P1_14 2.240(10) . ?
Pt3 O2_8 1.982(17) . ?
Pt3 N4_10 2.127(13) . ?
Pt3 P1_29 2.216(10) . ?
Pt3 P1_28 2.229(8) . ?
Pt4 O5_1 1.987(17) . ?
Pt4 N3_3 2.078(12) . ?
Pt4 P1_16 2.168(9) . ?
Pt4 P1_17 2.272(8) . ?
Pt5 O8_1 2.071(17) . ?
Pt5 N1_3 2.115(12) . ?
Pt5 P1_22 2.240(11) . ?
Pt5 P1_21 2.274(9) . ?
Pt6 N3_10 2.06(2) . ?
Pt6 O3_8 2.110(16) . ?
Pt6 P1_31 2.238(9) . ?
Pt6 P1_30 2.275(10) . ?
Pt7 O1_9 1.948(17) . ?
Pt7 N5_10 2.076(14) . ?
Pt7 P1_32 2.201(9) . ?
Pt7 P1_33 2.265(9) . ?
Pt8 N2_6 2.058(14) . ?
Pt8 O9_1 2.11(2) . ?
Pt8 P1_23 2.224(11) . ?
Pt8 P1_20 2.298(11) . ?
Pt9 O11_1 2.01(2) . ?
Pt9 N1_6 2.062(14) . ?
Pt9 P1_19 2.190(12) . ?
Pt9 P1_18 2.252(10) . ?
Pt10 O2_5 2.039(19) . ?
Pt10 N4_3 2.115(13) . ?
Pt10 P1_26 2.244(13) . ?
Pt10 P1_25 2.263(10) . ?
Pt11 N6_10 1.905(15) . ?
Pt11 O4_9 1.99(2) . ?
Pt11 P1_35 2.108(15) . ?
Pt11 P1_34 2.254(13) . ?
Pt12 O3_5 2.009(18) . ?
Pt12 N5_3 2.132(14) . ?
Pt12 P1_24 2.201(11) . ?
Pt12 P1_27 2.261(13) . ?
Pt13 N1_11 1.97(3) . ?
Pt13 O11_9 2.08(3) . ?
Pt13 P1_36 2.134(19) . ?
Pt13 P1_37 2.245(14) . ?
Pt13 C1_36 2.41(4) . ?
Pt14 O9_9 1.94(3) . ?
Pt14 P1_38 2.075(19) . ?
Pt14 N2_11 2.112(19) . ?
Pt14 P1_39 2.282(17) . ?
Pt15 N2_10 2.069(17) . ?
Pt15 O8_9 2.15(3) 3_665 ?
Pt15 P1_42 2.26(2) . ?
Pt15 P1_41 2.28(2) . ?
Pt16 P1_43 1.777(17) . ?
Pt16 O5_9 1.79(2) 3_665 ?
Pt16 N1_10 2.012(14) . ?
Pt16 P1_40 2.259(16) . ?
C1_1 O2_1 1.22(2) . ?
C1_1 O1_1 1.42(2) . ?
C1_1 C2_1 1.48(2) . ?
C2_1 C3_1 1.3900 . ?
C2_1 C7_1 1.3900 . ?
C3_1 C4_1 1.3900 . ?
C4_1 C5_1 1.3900 . ?
C4_1 C8_1 1.536(10) . ?
C5_1 C6_1 1.3900 . ?
C6_1 C7_1 1.3900 . ?
C6_1 C9_1 1.493(15) . ?
C8_1 O4_1 1.30(2) . ?
C8_1 O3_1 1.32(2) . ?
C9_1 C10_1 1.3900 . ?
C9_1 C14_1 1.3900 . ?
C10_1 C11_1 1.3900 . ?
C11_1 C12_1 1.3900 . ?
C12_1 C13_1 1.3900 . ?
C12_1 N1_1 1.39(2) . ?
C13_1 C14_1 1.3900 . ?
C15_1 C20_1 1.3900 . ?
C15_1 C16_1 1.3900 . ?
C15_1 N1_1 1.45(2) . ?
C16_1 C17_1 1.3900 . ?
C17_1 C18_1 1.3900 . ?
C18_1 C19_1 1.3900 . ?
C18_1 C35_1 1.544(15) . ?
C19_1 C20_1 1.3900 . ?
C21_1 C22_1 1.3900 . ?
C21_1 C26_1 1.3900 . ?
C21_1 N1_1 1.52(2) . ?
C22_1 C23_1 1.3900 . ?
C23_1 C24_1 1.3900 . ?
C24_1 C25_1 1.3900 . ?
C24_1 C27_1 1.544(15) . ?
C25_1 C26_1 1.3900 . ?
C27_1 C28_1 1.3900 . ?
C27_1 C32_1 1.3900 . ?
C28_1 C29_1 1.3900 . ?
C29_1 C30_1 1.3900 . ?
C29_1 C33_1 1.536(8) . ?
C30_1 C31_1 1.3900 . ?
C31_1 C32_1 1.3900 . ?
C31_1 C34_1 1.533(8) . ?
C33_1 O6_1 1.226(18) . ?
C33_1 O5_1 1.340(18) . ?
C34_1 O8_1 1.31(2) . ?
C34_1 O7_1 1.32(2) . ?
C35_1 C36_1 1.3900 . ?
C35_1 C40_1 1.3900 . ?
C36_1 C37_1 1.3900 . ?
C37_1 C38_1 1.3900 . ?
C37_1 C41_1 1.535(8) . ?
C38_1 C39_1 1.3900 . ?
C39_1 C40_1 1.3900 . ?
C39_1 C42_1 1.536(8) . ?
C41_1 O10_1 1.29(2) . ?
C41_1 O9_1 1.31(2) . ?
C42_1 O12_1 1.16(2) . ?
C42_1 O11_1 1.46(2) . ?
N1_3 C1_3 1.3900 . ?
N1_3 C5_3 1.3900 . ?
C1_3 C2_3 1.3900 . ?
C2_3 C3_3 1.3900 . ?
C3_3 C4_3 1.3900 . ?
C3_3 C6_3 1.516(17) . ?
C4_3 C5_3 1.3900 . ?
C6_3 C7_3 1.3900 . ?
C6_3 C11_3 1.3900 . ?
C7_3 C8_3 1.3900 . ?
C8_3 C9_3 1.3900 . ?
C9_3 C10_3 1.3900 . ?
C9_3 C12_3 1.511(15) . ?
C10_3 C11_3 1.3900 . ?
C12_3 C13_3 1.3900 . ?
C12_3 C17_3 1.3900 . ?
C13_3 C14_3 1.3900 . ?
C13_3 C24_3 1.580(15) . ?
C14_3 C15_3 1.3900 . ?
C14_3 C30_3 1.541(14) . ?
C15_3 C16_3 1.3900 . ?
C15_3 C36_3 1.545(15) . ?
C16_3 C17_3 1.3900 . ?
C16_3 C42_3 1.507(15) . ?
C17_3 C18_3 1.475(14) . ?
C18_3 C23_3 1.3900 . ?
C18_3 C19_3 1.3900 . ?
C19_3 C20_3 1.3900 . ?
C20_3 C21_3 1.3900 . ?
C21_3 C22_3 1.3900 . ?
C21_3 C53_3 1.618(14) . ?
C22_3 C23_3 1.3900 . ?
C24_3 C25_3 1.3900 . ?
C24_3 C29_3 1.3900 . ?
C25_3 C26_3 1.3900 . ?
C26_3 C27_3 1.3900 . ?
C27_3 C28_3 1.3900 . ?
C27_3 C50_3 1.493(15) . ?
C28_3 C29_3 1.3900 . ?
C30_3 C31_3 1.3900 . ?
C30_3 C35_3 1.3900 . ?
C31_3 C32_3 1.3900 . ?
C32_3 C33_3 1.3900 . ?
C33_3 C34_3 1.3900 . ?
C33_3 C70_3 1.626(15) . ?
C34_3 C35_3 1.3900 . ?
C36_3 C37_3 1.3900 . ?
C36_3 C41_3 1.3900 . ?
C37_3 C38_3 1.3900 . ?
C38_3 C39_3 1.3900 . ?
C39_3 C40_3 1.3900 . ?
C39_3 C65_3 1.490(16) . ?
C40_3 C41_3 1.3900 . ?
C42_3 C43_3 1.3900 . ?
C42_3 C47_3 1.3900 . ?
C43_3 C44_3 1.3900 . ?
C44_3 C45_3 1.3900 . ?
C45_3 C46_3 1.3900 . ?
C45_3 C60_3 1.508(16) . ?
C46_3 C47_3 1.3900 . ?
C48_3 C49_3 1.3900 . ?
C48_3 N2_3 1.3900(11) . ?
C49_3 C50_3 1.3900 . ?
C50_3 C51_3 1.3900 . ?
C51_3 C52_3 1.3900 . ?
C52_3 N2_3 1.3900 . ?
C53_3 C54_3 1.3900 . ?
C53_3 C57_3 1.3900 . ?
C54_3 C55_3 1.3900 . ?
C55_3 N3_3 1.3900 . ?
N3_3 C56_3 1.3900 . ?
C56_3 C57_3 1.3900 . ?
C58_3 N4_3 1.3900 . ?
C58_3 C59_3 1.3900 . ?
C59_3 C60_3 1.3900 . ?
C60_3 C61_3 1.3900 . ?
C61_3 C62_3 1.3900 . ?
C62_3 N4_3 1.3900 . ?
C63_3 N5_3 1.3900 . ?
C63_3 C64_3 1.3900 . ?
C64_3 C65_3 1.3900 . ?
C65_3 C66_3 1.3900 . ?
C66_3 C67_3 1.3900 . ?
C67_3 N5_3 1.3900 . ?
C68_3 C69_3 1.3900 . ?
C68_3 N6_3 1.3900 . ?
C69_3 C70_3 1.3900 . ?
C70_3 C71_3 1.3900 . ?
C71_3 C72_3 1.3900 . ?
C72_3 N6_3 1.3900 . ?
C1_5 O2_5 1.262(13) . ?
C1_5 O1_5 1.278(14) . ?
C1_5 C2_5 1.538(8) . ?
C2_5 C3_5 1.3900 . ?
C2_5 C7_5 1.3900 . ?
C3_5 C4_5 1.3900 . ?
C4_5 C5_5 1.3900 . ?
C4_5 C8_5 1.544(8) . ?
C5_5 C6_5 1.3900 . ?
C6_5 C7_5 1.3900 . ?
C6_5 C9_5 1.536(9) . ?
C8_5 O3_5 1.325(14) . ?
C8_5 O4_5 1.333(14) . ?
C9_5 C14_5 1.3900 . ?
C9_5 C10_5 1.3900 . ?
C10_5 C11_5 1.3900 . ?
C11_5 C12_5 1.3900 . ?
C12_5 C13_5 1.3900 . ?
C12_5 N1_5 1.399(11) . ?
C13_5 C14_5 1.3900(11) . ?
N1_6 C1_6 1.3900 . ?
N1_6 C5_6 1.3900 . ?
C1_6 C2_6 1.3900 . ?
C2_6 C3_6 1.3900 . ?
C3_6 C4_6 1.3900 . ?
C3_6 C6_6 1.534(9) . ?
C4_6 C5_6 1.3900 . ?
C6_6 C7_6 1.3900 . ?
C6_6 C11_6 1.3900 . ?
C7_6 C8_6 1.3900 . ?
C8_6 C9_6 1.3900 . ?
C9_6 C10_6 1.3900 . ?
C9_6 C12_6 1.540(7) . ?
C10_6 C11_6 1.3900 . ?
C12_6 C13_6 1.389(10) . ?
C12_6 C13_6 1.50(3) 2_655 ?
C13_6 C14_6 1.542(7) . ?
C14_6 C19_6 1.3900 . ?
C14_6 C15_6 1.3900 . ?
C15_6 C16_6 1.3900 . ?
C16_6 C17_6 1.3900 . ?
C17_6 C18_6 1.3900 . ?
C17_6 C22_6 1.549(7) . ?
C18_6 C19_6 1.3900 . ?
C20_6 C21_6 1.3900 . ?
C20_6 N2_6 1.3900 . ?
C21_6 C22_6 1.3900 . ?
C22_6 C23_6 1.3900 . ?
C23_6 C24_6 1.3900 . ?
C24_6 N2_6 1.3900 . ?
N1_10 C1_10 1.3900 . ?
N1_10 C5_10 1.3900 . ?
C1_10 C2_10 1.3900 . ?
C2_10 C3_10 1.3900 . ?
C3_10 C4_10 1.3900 . ?
C3_10 C6_10 1.580(17) . ?
C4_10 C5_10 1.3900 . ?
C6_10 C7_10 1.3900 . ?
C6_10 C11_10 1.3900 . ?
C7_10 C8_10 1.3900 . ?
C8_10 C9_10 1.3900 . ?
C9_10 C10_10 1.3900 . ?
C9_10 C12_10 1.562(16) . ?
C10_10 C11_10 1.3900 . ?
C12_10 C13_10 1.3900 . ?
C12_10 C17_10 1.3900 . ?
C13_10 C14_10 1.3900 . ?
C13_10 C24_10 1.576(19) . ?
C14_10 C15_10 1.3900 . ?
C14_10 C30_10 1.535(18) . ?
C15_10 C16_10 1.3900 . ?
C15_10 C36_10 1.565(19) . ?
C16_10 C17_10 1.3900 . ?
C16_10 C42_10 1.516(18) . ?
C17_10 C18_10 1.452(15) . ?
C18_10 C23_10 1.3900 . ?
C18_10 C19_10 1.3900 . ?
C19_10 C20_10 1.3900 . ?
C20_10 C21_10 1.3900 . ?
C21_10 C22_10 1.3900 . ?
C21_10 C53_10 1.601(18) . ?
C22_10 C23_10 1.3900 . ?
C24_10 C29_10 1.398(17) . ?
C24_10 C25_10 1.399(18) . ?
C25_10 C26_10 1.404(17) . ?
C26_10 C27_10 1.380(18) . ?
C27_10 C28_10 1.378(17) . ?
C27_10 C50_10 1.502(19) . ?
C28_10 C29_10 1.394(17) . ?
C30_10 C35_10 1.394(17) . ?
C30_10 C31_10 1.408(17) . ?
C31_10 C32_10 1.417(17) . ?
C32_10 C33_10 1.400(18) . ?
C33_10 C34_10 1.385(18) . ?
C33_10 C70_10 1.634(19) . ?
C34_10 C35_10 1.416(17) . ?
C36_10 C41_10 1.400(17) . ?
C36_10 C37_10 1.400(17) . ?
C37_10 C38_10 1.420(17) . ?
C38_10 C39_10 1.392(17) . ?
C39_10 C40_10 1.392(16) . ?
C39_10 C65_10 1.510(18) . ?
C40_10 C41_10 1.411(16) . ?
C42_10 C43_10 1.353(17) . ?
C42_10 C47_10 1.378(17) . ?
C43_10 C44_10 1.414(17) . ?
C44_10 C45_10 1.396(17) . ?
C45_10 C46_10 1.412(16) . ?
C45_10 C60_10 1.504(18) . ?
C46_10 C47_10 1.393(17) . ?
C48_10 C49_10 1.3900 . ?
C48_10 N2_10 1.3900 . ?
C49_10 C50_10 1.3900 . ?
C50_10 C51_10 1.3900 . ?
C51_10 C52_10 1.3900 . ?
C52_10 N2_10 1.3900 . ?
C53_10 C54_10 1.406(16) . ?
C53_10 C57_10 1.413(17) . ?
C54_10 C55_10 1.413(16) . ?
C55_10 N3_10 1.404(16) . ?
N3_10 C56_10 1.391(16) . ?
C56_10 C57_10 1.406(17) . ?
C58_10 C59_10 1.3900 . ?
C58_10 N4_10 1.3900 . ?
C59_10 C60_10 1.3900 . ?
C60_10 C61_10 1.3900 . ?
C61_10 C62_10 1.3900 . ?
C62_10 N4_10 1.3900 . ?
C63_10 C64_10 1.3900 . ?
C63_10 N5_10 1.3900 . ?
C64_10 C65_10 1.3900 . ?
C65_10 C66_10 1.3900 . ?
C66_10 C67_10 1.3900 . ?
C67_10 N5_10 1.3900 . ?
C68_10 C69_10 1.3900 . ?
C68_10 N6_10 1.3900 . ?
C69_10 C70_10 1.3900 . ?
C70_10 C71_10 1.3900 . ?
C71_10 C72_10 1.3900 . ?
C72_10 N6_10 1.3900 . ?
C1_8 O2_8 1.251(15) . ?
C1_8 O1_8 1.272(15) . ?
C1_8 C2_8 1.535(12) . ?
C2_8 C3_8 1.392(10) . ?
C2_8 C7_8 1.395(9) . ?
C3_8 C4_8 1.393(9) . ?
C4_8 C5_8 1.388(9) . ?
C4_8 C8_8 1.550(12) . ?
C5_8 C6_8 1.388(9) . ?
C6_8 C7_8 1.395(9) . ?
C6_8 C9_8 1.533(12) . ?
C8_8 O3_8 1.330(15) . ?
C8_8 O4_8 1.343(15) . ?
C9_8 C10_8 1.3900 . ?
C9_8 C14_8 1.3900 . ?
C10_8 C11_8 1.3900 . ?
C11_8 C12_8 1.3900 . ?
C12_8 C13_8 1.3900 . ?
C12_8 N1_8 1.402(11) . ?
C13_8 C14_8 1.3900 . ?
C1_9 O2_9 1.23(2) . ?
C1_9 O1_9 1.42(2) . ?
C1_9 C2_9 1.48(2) . ?
C2_9 C7_9 1.392(10) . ?
C2_9 C3_9 1.406(10) . ?
C3_9 C4_9 1.397(10) . ?
C4_9 C5_9 1.391(10) . ?
C4_9 C8_9 1.531(13) . ?
C5_9 C6_9 1.398(10) . ?
C6_9 C7_9 1.404(9) . ?
C6_9 C9_9 1.502(17) . ?
C8_9 O4_9 1.29(2) . ?
C8_9 O3_9 1.32(2) . ?
C9_9 C14_9 1.399(10) . ?
C9_9 C10_9 1.404(10) . ?
C10_9 C11_9 1.391(10) . ?
C11_9 C12_9 1.406(10) . ?
C12_9 C13_9 1.393(10) . ?
C12_9 N1_9 1.40(2) . ?
C13_9 C14_9 1.401(10) . ?
C15_9 C16_9 1.391(10) . ?
C15_9 C20_9 1.395(10) . ?
C15_9 N1_9 1.44(2) . ?
C16_9 C17_9 1.398(10) . ?
C17_9 C18_9 1.391(10) . ?
C18_9 C19_9 1.394(10) . ?
C18_9 C35_9 1.542(17) . ?
C19_9 C20_9 1.398(10) . ?
C21_9 C22_9 1.3900 . ?
C21_9 C26_9 1.3900 . ?
C21_9 N1_9 1.53(2) . ?
C22_9 C23_9 1.3900 . ?
C23_9 C24_9 1.3900 . ?
C24_9 C25_9 1.3900 . ?
C24_9 C27_9 1.543(16) . ?
C25_9 C26_9 1.3900 . ?
C27_9 C32_9 1.3900 . ?
C27_9 C28_9 1.3900 . ?
C28_9 C29_9 1.3900 . ?
C29_9 C30_9 1.3900 . ?
C29_9 C33_9 1.543(12) . ?
C30_9 C31_9 1.3900 . ?
C31_9 C32_9 1.3900 . ?
C31_9 C34_9 1.529(12) . ?
C33_9 O6_9 1.245(19) . ?
C33_9 O5_9 1.35(2) . ?
C33_9 C6_40 1.76(6) 2_655 ?
C34_9 O8_9 1.31(2) . ?
C34_9 O7_9 1.32(2) . ?
C35_9 C36_9 1.389(10) . ?
C35_9 C40_9 1.396(10) . ?
C36_9 C37_9 1.389(10) . ?
C37_9 C38_9 1.395(10) . ?
C37_9 C41_9 1.542(12) . ?
C38_9 C39_9 1.396(10) . ?
C39_9 C40_9 1.402(10) . ?
C39_9 C42_9 1.537(12) . ?
C41_9 O10_9 1.30(2) . ?
C41_9 O9_9 1.32(2) . ?
C42_9 O12_9 1.16(2) . ?
C42_9 O11_9 1.47(2) . ?
O5_9 C6_40 1.62(5) 2_655 ?
N1_11 C5_11 1.387(10) . ?
N1_11 C1_11 1.390(10) . ?
C1_11 C2_11 1.397(10) . ?
C2_11 C3_11 1.391(10) . ?
C3_11 C4_11 1.386(10) . ?
C3_11 C6_11 1.531(13) . ?
C4_11 C5_11 1.388(10) . ?
C6_11 C11_11 1.3900 . ?
C6_11 C7_11 1.3900 . ?
C7_11 C8_11 1.3900 . ?
C8_11 C9_11 1.3900 . ?
C9_11 C10_11 1.3900 . ?
C9_11 C12_11 1.539(11) . ?
C10_11 C11_11 1.3900 . ?
C12_11 C13_11 1.390(14) . ?
C12_11 C13_11 1.55(3) 3_665 ?
C13_11 C14_11 1.540(12) . ?
C14_11 C15_11 1.391(10) . ?
C14_11 C19_11 1.397(10) . ?
C15_11 C16_11 1.395(10) . ?
C16_11 C17_11 1.391(10) . ?
C17_11 C18_11 1.392(10) . ?
C17_11 C22_11 1.552(11) . ?
C18_11 C19_11 1.403(10) . ?
C20_11 N2_11 1.3900 . ?
C20_11 C21_11 1.3900 . ?
C21_11 C22_11 1.3900 . ?
C22_11 C23_11 1.3900 . ?
C23_11 C24_11 1.3900 . ?
C24_11 N2_11 1.3900 . ?
C1_12 C2_12 1.543(8) . ?
C1_12 P1_12 1.873(7) . ?
C3_12 C4_12 1.548(8) . ?
C3_12 P1_12 1.870(7) . ?
C5_12 C6_12 1.532(8) . ?
C5_12 P1_12 1.870(7) . ?
C1_13 C2_13 1.543(8) . ?
C1_13 P1_13 1.867(7) . ?
C3_13 C4_13 1.544(8) . ?
C3_13 P1_13 1.874(7) . ?
C5_13 C6_13 1.548(8) . ?
C5_13 P1_13 1.865(7) . ?
C1_14 C2_14 1.544(8) . ?
C1_14 P1_14 1.869(7) . ?
C3_14 C4_14 1.545(8) . ?
C3_14 P1_14 1.869(7) . ?
C5_14 C6_14 1.542(8) . ?
C5_14 P1_14 1.870(7) . ?
C1_15 C2_15 1.538(8) . ?
C1_15 P1_15 1.869(7) . ?
C3_15 C4_15 1.543(8) . ?
C3_15 P1_15 1.872(7) . ?
C5_15 C6_15 1.538(8) . ?
C5_15 P1_15 1.870(7) . ?
C1_16 C2_16 1.540(8) . ?
C1_16 P1_16 1.875(7) . ?
C3_16 C4_16 1.545(8) . ?
C3_16 P1_16 1.868(7) . ?
C5_16 C6_16 1.542(8) . ?
C5_16 P1_16 1.874(7) . ?
C1_17 C2_17 1.549(8) . ?
C1_17 P1_17 1.871(7) . ?
C3_17 C4_17 1.552(8) . ?
C3_17 P1_17 1.874(7) . ?
C5_17 C6_17 1.545(8) . ?
C5_17 P1_17 1.875(7) . ?
C1_18 C2_18 1.538(8) . ?
C1_18 P1_18 1.868(7) . ?
C3_18 C4_18 1.547(8) . ?
C3_18 P1_18 1.870(7) . ?
C5_18 C6_18 1.540(8) . ?
C5_18 P1_18 1.871(7) . ?
C1_19 C2_19 1.549(8) . ?
C1_19 P1_19 1.875(7) . ?
C3_19 C4_19 1.552(8) . ?
C3_19 P1_19 1.880(7) . ?
C5_19 C6_19 1.547(8) . ?
C5_19 P1_19 1.878(7) . ?
C1_20 C2_20 1.531(8) . ?
C1_20 P1_20 1.879(7) . ?
C3_20 C4_20 1.548(8) . ?
C3_20 P1_20 1.874(7) . ?
C5_20 C6_20 1.544(8) . ?
C5_20 P1_20 1.879(7) . ?
C1_21 C2_21 1.548(8) . ?
C1_21 P1_21 1.877(7) . ?
C3_21 C4_21 1.541(8) . ?
C3_21 P1_21 1.872(7) . ?
C5_21 C6_21 1.544(8) . ?
C5_21 P1_21 1.876(7) . ?
C1_22 C2_22 1.553(8) . ?
C1_22 P1_22 1.868(7) . ?
C3_22 C4_22 1.544(8) . ?
C3_22 P1_22 1.869(7) . ?
C5_22 C6_22 1.552(8) . ?
C5_22 P1_22 1.868(7) . ?
C1_23 C2_23 1.540(8) . ?
C1_23 P1_23 1.873(7) . ?
C3_23 C4_23 1.547(8) . ?
C3_23 P1_23 1.874(7) . ?
C5_23 C6_23 1.539(8) . ?
C5_23 P1_23 1.873(7) . ?
C1_24 C2_24 1.547(8) . ?
C1_24 P1_24 1.881(7) . ?
C3_24 C4_24 1.551(8) . ?
C3_24 P1_24 1.878(7) . ?
C5_24 C6_24 1.540(8) . ?
C5_24 P1_24 1.875(7) . ?
C1_25 C2_25 1.539(8) . ?
C1_25 P1_25 1.882(7) . ?
C3_25 C4_25 1.552(8) . ?
C3_25 P1_25 1.883(7) . ?
C5_25 C6_25 1.546(8) . ?
C5_25 P1_25 1.875(7) . ?
C1_26 C2_26 1.547(9) . ?
C1_26 P1_26 1.877(8) . ?
C3_26 C4_26 1.550(8) . ?
C3_26 P1_26 1.876(8) . ?
C5_26 C6_26 1.539(8) . ?
C5_26 P1_26 1.878(8) . ?
C1_27 C2_27 1.541(9) . ?
C1_27 P1_27 1.883(8) . ?
C3_27 C4_27 1.553(8) . ?
C3_27 P1_27 1.878(7) . ?
C5_27 C6_27 1.538(8) . ?
C5_27 P1_27 1.876(8) . ?
C1_28 C2_28 1.537(8) . ?
C1_28 P1_28 1.875(7) . ?
C3_28 C4_28 1.547(8) . ?
C3_28 P1_28 1.871(7) . ?
C5_28 C6_28 1.534(8) . ?
C5_28 P1_28 1.875(7) . ?
C1_29 C2_29 1.543(8) . ?
C1_29 P1_29 1.881(7) . ?
C3_29 C4_29 1.550(8) . ?
C3_29 P1_29 1.872(7) . ?
C5_29 C6_29 1.542(8) . ?
C5_29 P1_29 1.888(7) . ?
C1_30 C2_30 1.547(8) . ?
C1_30 P1_30 1.871(7) . ?
C3_30 C4_30 1.542(8) . ?
C3_30 P1_30 1.873(7) . ?
C5_30 C6_30 1.538(8) . ?
C5_30 P1_30 1.880(7) . ?
C1_31 C2_31 1.542(8) . ?
C1_31 P1_31 1.871(7) . ?
C3_31 C4_31 1.547(8) . ?
C3_31 P1_31 1.870(7) . ?
C5_31 C6_31 1.536(8) . ?
C5_31 P1_31 1.869(7) . ?
C1_32 C2_32 1.534(8) . ?
C1_32 P1_32 1.873(7) . ?
C3_32 C4_32 1.547(8) . ?
C3_32 P1_32 1.867(7) . ?
C5_32 C6_32 1.537(8) . ?
C5_32 P1_32 1.871(7) . ?
C1_33 C2_33 1.539(8) . ?
C1_33 P1_33 1.874(7) . ?
C3_33 C4_33 1.547(8) . ?
C3_33 P1_33 1.864(7) . ?
C5_33 C6_33 1.534(8) . ?
C5_33 P1_33 1.876(7) . ?
C1_34 C2_34 1.536(8) . ?
C1_34 P1_34 1.878(7) . ?
C3_34 C4_34 1.547(8) . ?
C3_34 P1_34 1.878(7) . ?
C5_34 C6_34 1.542(8) . ?
C5_34 P1_34 1.875(8) . ?
C1_35 C2_35 1.545(8) . ?
C1_35 P1_35 1.875(7) . ?
C3_35 C4_35 1.546(8) . ?
C3_35 P1_35 1.875(7) . ?
C5_35 C6_35 1.539(8) . ?
C5_35 P1_35 1.874(7) . ?
C1_36 C2_36 1.539(8) . ?
C1_36 P1_36 1.879(7) . ?
C3_36 C4_36 1.548(8) . ?
C3_36 P1_36 1.873(8) . ?
C5_36 C6_36 1.535(8) . ?
C5_36 P1_36 1.870(8) . ?
C1_37 C2_37 1.537(8) . ?
C1_37 P1_37 1.874(7) . ?
C3_37 C4_37 1.542(8) . ?
C3_37 P1_37 1.869(7) . ?
C5_37 C6_37 1.536(8) . ?
C5_37 P1_37 1.874(7) . ?
C1_38 C2_38 1.541(8) . ?
C1_38 P1_38 1.872(8) . ?
C3_38 C4_38 1.547(9) . ?
C3_38 P1_38 1.870(8) . ?
C5_38 C6_38 1.537(8) . ?
C5_38 P1_38 1.868(8) . ?
C1_39 C2_39 1.542(8) . ?
C1_39 P1_39 1.871(8) . ?
C3_39 C4_39 1.548(8) . ?
C3_39 P1_39 1.877(8) . ?
C5_39 C6_39 1.543(8) . ?
C5_39 P1_39 1.873(8) . ?
C1_40 C2_40 1.542(8) . ?
C1_40 P1_40 1.866(8) . ?
C3_40 C4_40 1.542(8) . ?
C3_40 P1_40 1.860(7) . ?
C5_40 C6_40 1.551(8) . ?
C5_40 P1_40 1.868(8) . ?
C1_41 C2_41 1.543(8) . ?
C1_41 P1_41 1.872(8) . ?
C3_41 C4_41 1.550(9) . ?
C3_41 P1_41 1.869(8) . ?
C5_41 C6_41 1.545(8) . ?
C5_41 P1_41 1.871(8) . ?
C1_42 C2_42 1.553(8) . ?
C1_42 P1_42 1.872(7) . ?
C3_42 C4_42 1.545(9) . ?
C3_42 P1_42 1.872(8) . ?
C5_42 C6_42 1.539(8) . ?
C5_42 P1_42 1.870(8) . ?
C1_43 C2_43 1.545(9) . ?
C1_43 P1_43 1.870(7) . ?
C3_43 C4_43 1.548(8) . ?
C3_43 P1_43 1.883(7) . ?
C5_43 C6_43 1.540(8) . ?
C5_43 P1_43 1.865(8) . ?

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
O1_1 Pt1 N6_3 86(7) . 2_655 ?
O1_1 Pt1 P1_12 175.8(5) . . ?
N6_3 Pt1 P1_12 92(7) 2_655 . ?
O1_1 Pt1 P1_13 86.2(5) . . ?
N6_3 Pt1 P1_13 172(8) 2_655 . ?
P1_12 Pt1 P1_13 95.9(3) . . ?
O4_1 Pt2 N2_3 90(8) . 2_655 ?
O4_1 Pt2 P1_15 80.1(6) . . ?
N2_3 Pt2 P1_15 168(7) 2_655 . ?
O4_1 Pt2 P1_14 168.6(6) . . ?
N2_3 Pt2 P1_14 92(8) 2_655 . ?
P1_15 Pt2 P1_14 99.7(4) . . ?
O2_8 Pt3 N4_10 83.4(7) . . ?
O2_8 Pt3 P1_29 85.6(6) . . ?
N4_10 Pt3 P1_29 169.0(5) . . ?
O2_8 Pt3 P1_28 176.8(6) . . ?
N4_10 Pt3 P1_28 93.5(5) . . ?
P1_29 Pt3 P1_28 97.4(4) . . ?
O5_1 Pt4 N3_3 84.8(7) . . ?
O5_1 Pt4 P1_16 176.0(6) . . ?
N3_3 Pt4 P1_16 94.0(5) . . ?
O5_1 Pt4 P1_17 83.7(6) . . ?
N3_3 Pt4 P1_17 167.9(5) . . ?
P1_16 Pt4 P1_17 97.8(4) . . ?
O8_1 Pt5 N1_3 89.7(7) . . ?
O8_1 Pt5 P1_22 80.6(7) . . ?
N1_3 Pt5 P1_22 169.8(7) . . ?
O8_1 Pt5 P1_21 174.8(6) . . ?
N1_3 Pt5 P1_21 88.8(5) . . ?
P1_22 Pt5 P1_21 100.5(5) . . ?
N3_10 Pt6 O3_8 87.3(9) . . ?
N3_10 Pt6 P1_31 90.1(7) . . ?
O3_8 Pt6 P1_31 174.5(6) . . ?
N3_10 Pt6 P1_30 170.7(8) . . ?
O3_8 Pt6 P1_30 86.1(6) . . ?
P1_31 Pt6 P1_30 97.0(4) . . ?
O1_9 Pt7 N5_10 84.1(8) . . ?
O1_9 Pt7 P1_32 172.8(7) . . ?
N5_10 Pt7 P1_32 91.9(5) . . ?
O1_9 Pt7 P1_33 84.2(7) . . ?
N5_10 Pt7 P1_33 168.3(5) . . ?
P1_32 Pt7 P1_33 99.8(4) . . ?
N2_6 Pt8 O9_1 87.5(8) . . ?
N2_6 Pt8 P1_23 90.7(7) . . ?
O9_1 Pt8 P1_23 173.5(7) . . ?
N2_6 Pt8 P1_20 172.9(7) . . ?
O9_1 Pt8 P1_20 85.8(7) . . ?
P1_23 Pt8 P1_20 95.7(6) . . ?
O11_1 Pt9 N1_6 84.8(9) . . ?
O11_1 Pt9 P1_19 171.6(7) . . ?
N1_6 Pt9 P1_19 91.6(7) . . ?
O11_1 Pt9 P1_18 85.8(8) . . ?
N1_6 Pt9 P1_18 168.1(8) . . ?
P1_19 Pt9 P1_18 98.7(5) . . ?
O2_5 Pt10 N4_3 82.7(8) . . ?
O2_5 Pt10 P1_26 89.8(8) . . ?
N4_3 Pt10 P1_26 172.1(6) . . ?
O2_5 Pt10 P1_25 170.4(7) . . ?
N4_3 Pt10 P1_25 93.4(6) . . ?
P1_26 Pt10 P1_25 94.4(5) . . ?
N6_10 Pt11 O4_9 84.4(9) . . ?
N6_10 Pt11 P1_35 91.4(8) . . ?
O4_9 Pt11 P1_35 175.1(8) . . ?
N6_10 Pt11 P1_34 169.8(8) . . ?
O4_9 Pt11 P1_34 86.7(8) . . ?
P1_35 Pt11 P1_34 97.7(6) . . ?
O3_5 Pt12 N5_3 75.5(9) . . ?
O3_5 Pt12 P1_24 169.1(8) . . ?
N5_3 Pt12 P1_24 95.8(6) . . ?
O3_5 Pt12 P1_27 91.2(9) . . ?
N5_3 Pt12 P1_27 166.6(7) . . ?
P1_24 Pt12 P1_27 97.1(6) . . ?
N1_11 Pt13 O11_9 91.8(12) . . ?
N1_11 Pt13 P1_36 172.8(12) . . ?
O11_9 Pt13 P1_36 81.1(8) . . ?
N1_11 Pt13 P1_37 89.6(11) . . ?
O11_9 Pt13 P1_37 177.6(9) . . ?
P1_36 Pt13 P1_37 97.5(7) . . ?
N1_11 Pt13 C1_36 128.1(12) . . ?
O11_9 Pt13 C1_36 58.1(11) . . ?
P1_36 Pt13 C1_36 48.4(7) . . ?
P1_37 Pt13 C1_36 122.3(10) . . ?
O9_9 Pt14 P1_38 170.0(10) . . ?
O9_9 Pt14 N2_11 89.7(11) . . ?
P1_38 Pt14 N2_11 94.9(9) . . ?
O9_9 Pt14 P1_39 81.5(11) . . ?
P1_38 Pt14 P1_39 94.0(9) . . ?
N2_11 Pt14 P1_39 171.0(8) . . ?
N2_10 Pt15 O8_9 86.5(10) . 3_665 ?
N2_10 Pt15 P1_42 170.5(10) . . ?
O8_9 Pt15 P1_42 86.0(9) 3_665 . ?
N2_10 Pt15 P1_41 89.3(8) . . ?
O8_9 Pt15 P1_41 167.3(9) 3_665 . ?
P1_42 Pt15 P1_41 99.2(7) . . ?
P1_43 Pt16 O5_9 176.5(11) . 3_665 ?
P1_43 Pt16 N1_10 102.8(8) . . ?
O5_9 Pt16 N1_10 78.1(10) 3_665 . ?
P1_43 Pt16 P1_40 94.2(6) . . ?
O5_9 Pt16 P1_40 84.2(9) 3_665 . ?
N1_10 Pt16 P1_40 159.6(10) . . ?
O2_1 C1_1 O1_1 125(2) . . ?
O2_1 C1_1 C2_1 121(2) . . ?
O1_1 C1_1 C2_1 113.6(19) . . ?
C3_1 C2_1 C7_1 120.0 . . ?
C3_1 C2_1 C1_1 119.0(18) . . ?
C7_1 C2_1 C1_1 120.8(18) . . ?
C2_1 C3_1 C4_1 120.0 . . ?
C3_1 C4_1 C5_1 120.0 . . ?
C3_1 C4_1 C8_1 125(2) . . ?
C5_1 C4_1 C8_1 115(2) . . ?
C4_1 C5_1 C6_1 120.0 . . ?
C7_1 C6_1 C5_1 120.0 . . ?
C7_1 C6_1 C9_1 124(2) . . ?
C5_1 C6_1 C9_1 116.0(19) . . ?
C6_1 C7_1 C2_1 120.0 . . ?
O4_1 C8_1 O3_1 126.6(17) . . ?
O4_1 C8_1 C4_1 120(2) . . ?
O3_1 C8_1 C4_1 114(2) . . ?
C10_1 C9_1 C14_1 120.0 . . ?
C10_1 C9_1 C6_1 118(2) . . ?
C14_1 C9_1 C6_1 122(2) . . ?
C9_1 C10_1 C11_1 120.0 . . ?
C12_1 C11_1 C10_1 120.0 . . ?
C11_1 C12_1 C13_1 120.0 . . ?
C11_1 C12_1 N1_1 127(2) . . ?
C13_1 C12_1 N1_1 113(2) . . ?
C14_1 C13_1 C12_1 120.0 . . ?
C13_1 C14_1 C9_1 120.0 . . ?
C20_1 C15_1 C16_1 120.0 . . ?
C20_1 C15_1 N1_1 123(3) . . ?
C16_1 C15_1 N1_1 117(3) . . ?
C17_1 C16_1 C15_1 120.0 . . ?
C16_1 C17_1 C18_1 120.0 . . ?
C19_1 C18_1 C17_1 120.0 . . ?
C19_1 C18_1 C35_1 112(2) . . ?
C17_1 C18_1 C35_1 128(2) . . ?
C18_1 C19_1 C20_1 120.0 . . ?
C15_1 C20_1 C19_1 120.0 . . ?
C22_1 C21_1 C26_1 120.00(6) . . ?
C22_1 C21_1 N1_1 115(2) . . ?
C26_1 C21_1 N1_1 125(2) . . ?
C23_1 C22_1 C21_1 120.0 . . ?
C22_1 C23_1 C24_1 120.0 . . ?
C23_1 C24_1 C25_1 120.0 . . ?
C23_1 C24_1 C27_1 118(2) . . ?
C25_1 C24_1 C27_1 122(2) . . ?
C24_1 C25_1 C26_1 120.0 . . ?
C25_1 C26_1 C21_1 120.0 . . ?
C28_1 C27_1 C32_1 120.0 . . ?
C28_1 C27_1 C24_1 119.1(14) . . ?
C32_1 C27_1 C24_1 120.8(14) . . ?
C27_1 C28_1 C29_1 120.0 . . ?
C28_1 C29_1 C30_1 120.0 . . ?
C28_1 C29_1 C33_1 120.1(4) . . ?
C30_1 C29_1 C33_1 119.9(4) . . ?
C31_1 C30_1 C29_1 120.0 . . ?
C32_1 C31_1 C30_1 120.0 . . ?
C32_1 C31_1 C34_1 120.0(4) . . ?
C30_1 C31_1 C34_1 119.9(4) . . ?
C31_1 C32_1 C27_1 120.0 . . ?
O6_1 C33_1 O5_1 119.8(16) . . ?
O6_1 C33_1 C29_1 126.4(15) . . ?
O5_1 C33_1 C29_1 113.8(13) . . ?
O8_1 C34_1 O7_1 127.4(17) . . ?
O8_1 C34_1 C31_1 115.6(13) . . ?
O7_1 C34_1 C31_1 116.4(14) . . ?
C36_1 C35_1 C40_1 120.0 . . ?
C36_1 C35_1 C18_1 122.3(15) . . ?
C40_1 C35_1 C18_1 117.7(15) . . ?
C37_1 C36_1 C35_1 120.0 . . ?
C38_1 C37_1 C36_1 120.0 . . ?
C38_1 C37_1 C41_1 119.8(4) . . ?
C36_1 C37_1 C41_1 120.2(4) . . ?
C39_1 C38_1 C37_1 120.0 . . ?
C38_1 C39_1 C40_1 120.0 . . ?
C38_1 C39_1 C42_1 119.8(4) . . ?
C40_1 C39_1 C42_1 120.2(4) . . ?
C39_1 C40_1 C35_1 120.0 . . ?
O10_1 C41_1 O9_1 134(2) . . ?
O10_1 C41_1 C37_1 114.7(13) . . ?
O9_1 C41_1 C37_1 108.0(15) . . ?
O12_1 C42_1 O11_1 110(2) . . ?
O12_1 C42_1 C39_1 124.1(17) . . ?
O11_1 C42_1 C39_1 115.9(14) . . ?
C1_1 O1_1 Pt1 119.6(13) . . ?
C8_1 O4_1 Pt2 121.4(14) . . ?
C33_1 O5_1 Pt4 122.1(12) . . ?
C34_1 O8_1 Pt5 113.7(12) . . ?
C41_1 O9_1 Pt8 110.9(15) . . ?
C42_1 O11_1 Pt9 124.5(13) . . ?
C12_1 N1_1 C15_1 126(2) . . ?
C12_1 N1_1 C21_1 122(2) . . ?
C15_1 N1_1 C21_1 112(2) . . ?
C1_3 N1_3 C5_3 120.0 . . ?
C1_3 N1_3 Pt5 122.9(19) . . ?
C5_3 N1_3 Pt5 116.2(19) . . ?
N1_3 C1_3 C2_3 120.00(6) . . ?
C1_3 C2_3 C3_3 120.0 . . ?
C4_3 C3_3 C2_3 120.0 . . ?
C4_3 C3_3 C6_3 130(3) . . ?
C2_3 C3_3 C6_3 110(3) . . ?
C3_3 C4_3 C5_3 120.00(6) . . ?
C4_3 C5_3 N1_3 120.0 . . ?
C7_3 C6_3 C11_3 120.0 . . ?
C7_3 C6_3 C3_3 109(3) . . ?
C11_3 C6_3 C3_3 131(3) . . ?
C6_3 C7_3 C8_3 120.0 . . ?
C9_3 C8_3 C7_3 120.0 . . ?
C8_3 C9_3 C10_3 120.0 . . ?
C8_3 C9_3 C12_3 121(2) . . ?
C10_3 C9_3 C12_3 117(2) . . ?
C11_3 C10_3 C9_3 120.0 . . ?
C10_3 C11_3 C6_3 120.0 . . ?
C13_3 C12_3 C17_3 120.0 . . ?
C13_3 C12_3 C9_3 112(2) . . ?
C17_3 C12_3 C9_3 128(2) . . ?
C12_3 C13_3 C14_3 120.0 . . ?
C12_3 C13_3 C24_3 125(2) . . ?
C14_3 C13_3 C24_3 115(2) . . ?
C15_3 C14_3 C13_3 120.0 . . ?
C15_3 C14_3 C30_3 115(2) . . ?
C13_3 C14_3 C30_3 125(2) . . ?
C14_3 C15_3 C16_3 120.0 . . ?
C14_3 C15_3 C36_3 124(2) . . ?
C16_3 C15_3 C36_3 115(2) . . ?
C15_3 C16_3 C17_3 120.0 . . ?
C15_3 C16_3 C42_3 123(2) . . ?
C17_3 C16_3 C42_3 116(2) . . ?
C16_3 C17_3 C12_3 120.0 . . ?
C16_3 C17_3 C18_3 127(2) . . ?
C12_3 C17_3 C18_3 113(2) . . ?
C23_3 C18_3 C19_3 120.0 . . ?
C23_3 C18_3 C17_3 120.4(19) . . ?
C19_3 C18_3 C17_3 119.0(19) . . ?
C20_3 C19_3 C18_3 120.0 . . ?
C21_3 C20_3 C19_3 120.0 . . ?
C22_3 C21_3 C20_3 120.0 . . ?
C22_3 C21_3 C53_3 114.3(19) . . ?
C20_3 C21_3 C53_3 125.7(19) . . ?
C21_3 C22_3 C23_3 120.0 . . ?
C22_3 C23_3 C18_3 120.0 . . ?
C25_3 C24_3 C29_3 120.0 . . ?
C25_3 C24_3 C13_3 120(2) . . ?
C29_3 C24_3 C13_3 120(2) . . ?
C26_3 C25_3 C24_3 120.0 . . ?
C25_3 C26_3 C27_3 120.0 . . ?
C28_3 C27_3 C26_3 120.0 . . ?
C28_3 C27_3 C50_3 119(3) . . ?
C26_3 C27_3 C50_3 121(3) . . ?
C29_3 C28_3 C27_3 120.0 . . ?
C28_3 C29_3 C24_3 120.0 . . ?
C31_3 C30_3 C35_3 120.0 . . ?
C31_3 C30_3 C14_3 121(2) . . ?
C35_3 C30_3 C14_3 118.4(19) . . ?
C32_3 C31_3 C30_3 120.0 . . ?
C33_3 C32_3 C31_3 120.0 . . ?
C32_3 C33_3 C34_3 120.0 . . ?
C32_3 C33_3 C70_3 111(2) . . ?
C34_3 C33_3 C70_3 129(2) . . ?
C35_3 C34_3 C33_3 120.0 . . ?
C34_3 C35_3 C30_3 120.0 . . ?
C37_3 C36_3 C41_3 120.0 . . ?
C37_3 C36_3 C15_3 125(2) . . ?
C41_3 C36_3 C15_3 115(2) . . ?
C36_3 C37_3 C38_3 120.0 . . ?
C39_3 C38_3 C37_3 120.0 . . ?
C40_3 C39_3 C38_3 120.0 . . ?
C40_3 C39_3 C65_3 122(2) . . ?
C38_3 C39_3 C65_3 117(2) . . ?
C39_3 C40_3 C41_3 120.0 . . ?
C36_3 C41_3 C40_3 120.0 . . ?
C43_3 C42_3 C47_3 120.0 . . ?
C43_3 C42_3 C16_3 129(2) . . ?
C47_3 C42_3 C16_3 111(2) . . ?
C42_3 C43_3 C44_3 120.00(6) . . ?
C45_3 C44_3 C43_3 120.0 . . ?
C46_3 C45_3 C44_3 120.0 . . ?
C46_3 C45_3 C60_3 129(2) . . ?
C44_3 C45_3 C60_3 111(2) . . ?
C45_3 C46_3 C47_3 120.00(6) . . ?
C46_3 C47_3 C42_3 120.0 . . ?
C49_3 C48_3 N2_3 120.0 . . ?
C48_3 C49_3 C50_3 120.0 . . ?
C51_3 C50_3 C49_3 120.0 . . ?
C51_3 C50_3 C27_3 115(3) . . ?
C49_3 C50_3 C27_3 125(3) . . ?
C50_3 C51_3 C52_3 120.0 . . ?
N2_3 C52_3 C51_3 120.00(7) . . ?
C52_3 N2_3 C48_3 120.0 . . ?
C52_3 N2_3 Pt2 124.7(19) . 3_665 ?
C48_3 N2_3 Pt2 115.0(19) . 3_665 ?
C54_3 C53_3 C57_3 120.0 . . ?
C54_3 C53_3 C21_3 118(2) . . ?
C57_3 C53_3 C21_3 121.4(19) . . ?
C53_3 C54_3 C55_3 120.00(5) . . ?
N3_3 C55_3 C54_3 120.0 . . ?
C55_3 N3_3 C56_3 120.0 . . ?
C55_3 N3_3 Pt4 113.6(15) . . ?
C56_3 N3_3 Pt4 126.4(16) . . ?
C57_3 C56_3 N3_3 120.0 . . ?
C56_3 C57_3 C53_3 120.0 . . ?
N4_3 C58_3 C59_3 120.0 . . ?
C60_3 C59_3 C58_3 120.0 . . ?
C59_3 C60_3 C61_3 120.0 . . ?
C59_3 C60_3 C45_3 128(2) . . ?
C61_3 C60_3 C45_3 112(2) . . ?
C62_3 C61_3 C60_3 120.0 . . ?
C61_3 C62_3 N4_3 120.00(7) . . ?
C62_3 N4_3 C58_3 120.0 . . ?
C62_3 N4_3 Pt10 125.8(19) . . ?
C58_3 N4_3 Pt10 114.2(19) . . ?
N5_3 C63_3 C64_3 120.0 . . ?
C65_3 C64_3 C63_3 120.0 . . ?
C64_3 C65_3 C66_3 120.0 . . ?
C64_3 C65_3 C39_3 114(3) . . ?
C66_3 C65_3 C39_3 124(3) . . ?
C67_3 C66_3 C65_3 120.00(5) . . ?
C66_3 C67_3 N5_3 120.0 . . ?
C67_3 N5_3 C63_3 120.0 . . ?
C67_3 N5_3 Pt12 110(2) . . ?
C63_3 N5_3 Pt12 129.6(19) . . ?
C69_3 C68_3 N6_3 120.0 . . ?
C68_3 C69_3 C70_3 120.0 . . ?
C71_3 C70_3 C69_3 120.0 . . ?
C71_3 C70_3 C33_3 125(2) . . ?
C69_3 C70_3 C33_3 114(2) . . ?
C70_3 C71_3 C72_3 120.0 . . ?
N6_3 C72_3 C71_3 120.00(6) . . ?
C72_3 N6_3 C68_3 120.0 . . ?
C72_3 N6_3 Pt1 124.8(17) . 3_665 ?
C68_3 N6_3 Pt1 115.1(17) . 3_665 ?
O2_5 C1_5 O1_5 115(2) . . ?
O2_5 C1_5 C2_5 119.5(16) . . ?
O1_5 C1_5 C2_5 122.0(16) . . ?
C3_5 C2_5 C7_5 120.0 . . ?
C3_5 C2_5 C1_5 119.9(4) . . ?
C7_5 C2_5 C1_5 120.1(4) . . ?
C4_5 C3_5 C2_5 120.00(6) . . ?
C3_5 C4_5 C5_5 120.00(6) . . ?
C3_5 C4_5 C8_5 119.8(4) . . ?
C5_5 C4_5 C8_5 120.1(4) . . ?
C6_5 C5_5 C4_5 120.0 . . ?
C5_5 C6_5 C7_5 120.00(6) . . ?
C5_5 C6_5 C9_5 121.7(15) . . ?
C7_5 C6_5 C9_5 118.3(15) . . ?
C6_5 C7_5 C2_5 120.0 . . ?
O3_5 C8_5 O4_5 114.0(19) . . ?
O3_5 C8_5 C4_5 113.6(15) . . ?
O4_5 C8_5 C4_5 131.1(15) . . ?
C14_5 C9_5 C10_5 120.00(5) . . ?
C14_5 C9_5 C6_5 120(3) . . ?
C10_5 C9_5 C6_5 120(3) . . ?
C11_5 C10_5 C9_5 120.0 . . ?
C10_5 C11_5 C12_5 120.0 . . ?
C11_5 C12_5 C13_5 120.0 . . ?
C11_5 C12_5 N1_5 125(3) . . ?
C13_5 C12_5 N1_5 115(3) . . ?
C14_5 C13_5 C12_5 120.0 . . ?
C13_5 C14_5 C9_5 120.0 . . ?
C1_5 O2_5 Pt10 123.7(16) . . ?
C8_5 O3_5 Pt12 123.7(15) . . ?
C12_5 N1_5 C12_5 120.1(17) 3_665 . ?
C12_5 N1_5 C12_5 120.09(6) 3_665 2_655 ?
C12_5 N1_5 C12_5 119.8(17) . 2_655 ?
C1_6 N1_6 C5_6 120.0 . . ?
C1_6 N1_6 Pt9 118(2) . . ?
C5_6 N1_6 Pt9 120(2) . . ?
C2_6 C1_6 N1_6 120.0 . . ?
C1_6 C2_6 C3_6 120.0 . . ?
C4_6 C3_6 C2_6 120.0 . . ?
C4_6 C3_6 C6_6 118(3) . . ?
C2_6 C3_6 C6_6 122(3) . . ?
C3_6 C4_6 C5_6 120.0 . . ?
C4_6 C5_6 N1_6 120.0 . . ?
C7_6 C6_6 C11_6 120.0 . . ?
C7_6 C6_6 C3_6 123(2) . . ?
C11_6 C6_6 C3_6 117(2) . . ?
C6_6 C7_6 C8_6 120.0 . . ?
C9_6 C8_6 C7_6 120.0 . . ?
C8_6 C9_6 C10_6 120.0 . . ?
C8_6 C9_6 C12_6 119.9(4) . . ?
C10_6 C9_6 C12_6 120.1(4) . . ?
C11_6 C10_6 C9_6 120.0 . . ?
C10_6 C11_6 C6_6 120.0 . . ?
C13_6 C12_6 C13_6 119(2) . 2_655 ?
C13_6 C12_6 C9_6 115(4) . . ?
C13_6 C12_6 C9_6 123(4) 2_655 . ?
C12_6 C13_6 C12_6 119.4(17) . 3_665 ?
C12_6 C13_6 C14_6 126(4) . . ?
C12_6 C13_6 C14_6 114(4) 3_665 . ?
C19_6 C14_6 C15_6 120.0 . . ?
C19_6 C14_6 C13_6 119.9(4) . . ?
C15_6 C14_6 C13_6 119.7(4) . . ?
C16_6 C15_6 C14_6 120.0 . . ?
C15_6 C16_6 C17_6 120.0 . . ?
C18_6 C17_6 C16_6 120.0 . . ?
C18_6 C17_6 C22_6 119.7(4) . . ?
C16_6 C17_6 C22_6 119.2(4) . . ?
C19_6 C18_6 C17_6 120.0 . . ?
C18_6 C19_6 C14_6 120.0 . . ?
C21_6 C20_6 N2_6 120.0 . . ?
C22_6 C21_6 C20_6 120.0 . . ?
C21_6 C22_6 C23_6 120.0 . . ?
C21_6 C22_6 C17_6 119.2(5) . . ?
C23_6 C22_6 C17_6 119.0(4) . . ?
C24_6 C23_6 C22_6 120.0 . . ?
N2_6 C24_6 C23_6 120.0 . . ?
C24_6 N2_6 C20_6 120.0 . . ?
C24_6 N2_6 Pt8 117.1(11) . . ?
C20_6 N2_6 Pt8 122.2(11) . . ?
C1_10 N1_10 C5_10 120.00(5) . . ?
C1_10 N1_10 Pt16 119(3) . . ?
C5_10 N1_10 Pt16 120(3) . . ?
C2_10 C1_10 N1_10 120.00(6) . . ?
C1_10 C2_10 C3_10 120.0 . . ?
C4_10 C3_10 C2_10 120.00(5) . . ?
C4_10 C3_10 C6_10 128(3) . . ?
C2_10 C3_10 C6_10 112(3) . . ?
C3_10 C4_10 C5_10 120.0 . . ?
C4_10 C5_10 N1_10 120.0 . . ?
C7_10 C6_10 C11_10 120.0 . . ?
C7_10 C6_10 C3_10 110(3) . . ?
C11_10 C6_10 C3_10 130(3) . . ?
C8_10 C7_10 C6_10 120.0 . . ?
C7_10 C8_10 C9_10 120.0 . . ?
C10_10 C9_10 C8_10 120.00(5) . . ?
C10_10 C9_10 C12_10 117(3) . . ?
C8_10 C9_10 C12_10 123(2) . . ?
C11_10 C10_10 C9_10 120.0 . . ?
C10_10 C11_10 C6_10 120.0 . . ?
C13_10 C12_10 C17_10 120.0 . . ?
C13_10 C12_10 C9_10 119(2) . . ?
C17_10 C12_10 C9_10 121(2) . . ?
C12_10 C13_10 C14_10 120.0 . . ?
C12_10 C13_10 C24_10 125(2) . . ?
C14_10 C13_10 C24_10 115(2) . . ?
C13_10 C14_10 C15_10 120.0 . . ?
C13_10 C14_10 C30_10 127(2) . . ?
C15_10 C14_10 C30_10 112(2) . . ?
C16_10 C15_10 C14_10 120.0 . . ?
C16_10 C15_10 C36_10 113(2) . . ?
C14_10 C15_10 C36_10 127(2) . . ?
C15_10 C16_10 C17_10 120.0 . . ?
C15_10 C16_10 C42_10 123(2) . . ?
C17_10 C16_10 C42_10 116(2) . . ?
C12_10 C17_10 C16_10 120.0 . . ?
C12_10 C17_10 C18_10 112(2) . . ?
C16_10 C17_10 C18_10 128(2) . . ?
C23_10 C18_10 C19_10 120.0 . . ?
C23_10 C18_10 C17_10 119(2) . . ?
C19_10 C18_10 C17_10 120(2) . . ?
C20_10 C19_10 C18_10 120.0 . . ?
C19_10 C20_10 C21_10 120.0 . . ?
C22_10 C21_10 C20_10 120.0 . . ?
C22_10 C21_10 C53_10 116(2) . . ?
C20_10 C21_10 C53_10 123(2) . . ?
C21_10 C22_10 C23_10 120.0 . . ?
C18_10 C23_10 C22_10 120.0 . . ?
C29_10 C24_10 C25_10 114.7(19) . . ?
C29_10 C24_10 C13_10 124(3) . . ?
C25_10 C24_10 C13_10 121(3) . . ?
C24_10 C25_10 C26_10 125(2) . . ?
C27_10 C26_10 C25_10 115(2) . . ?
C28_10 C27_10 C26_10 120(2) . . ?
C28_10 C27_10 C50_10 121(3) . . ?
C26_10 C27_10 C50_10 117(3) . . ?
C27_10 C28_10 C29_10 122(2) . . ?
C28_10 C29_10 C24_10 119(2) . . ?
C35_10 C30_10 C31_10 116.1(17) . . ?
C35_10 C30_10 C14_10 118(3) . . ?
C31_10 C30_10 C14_10 125(3) . . ?
C30_10 C31_10 C32_10 119(2) . . ?
C33_10 C32_10 C31_10 119(2) . . ?
C34_10 C33_10 C32_10 113(2) . . ?
C34_10 C33_10 C70_10 126(3) . . ?
C32_10 C33_10 C70_10 113(3) . . ?
C33_10 C34_10 C35_10 121(2) . . ?
C30_10 C35_10 C34_10 120(2) . . ?
C41_10 C36_10 C37_10 118.2(17) . . ?
C41_10 C36_10 C15_10 115(3) . . ?
C37_10 C36_10 C15_10 127(3) . . ?
C36_10 C37_10 C38_10 119(2) . . ?
C39_10 C38_10 C37_10 121(2) . . ?
C38_10 C39_10 C40_10 116.0(19) . . ?
C38_10 C39_10 C65_10 117(3) . . ?
C40_10 C39_10 C65_10 124(3) . . ?
C39_10 C40_10 C41_10 121(2) . . ?
C36_10 C41_10 C40_10 120.9(19) . . ?
C43_10 C42_10 C47_10 119.2(17) . . ?
C43_10 C42_10 C16_10 129(3) . . ?
C47_10 C42_10 C16_10 112(3) . . ?
C42_10 C43_10 C44_10 119(2) . . ?
C45_10 C44_10 C43_10 121(2) . . ?
C44_10 C45_10 C46_10 117.9(17) . . ?
C44_10 C45_10 C60_10 111(3) . . ?
C46_10 C45_10 C60_10 131(3) . . ?
C47_10 C46_10 C45_10 117.7(19) . . ?
C42_10 C47_10 C46_10 123(2) . . ?
C49_10 C48_10 N2_10 120.0 . . ?
C48_10 C49_10 C50_10 120.00(7) . . ?
C49_10 C50_10 C51_10 120.0 . . ?
C49_10 C50_10 C27_10 124(3) . . ?
C51_10 C50_10 C27_10 115(3) . . ?
C52_10 C51_10 C50_10 120.0 . . ?
C51_10 C52_10 N2_10 120.00(7) . . ?
C52_10 N2_10 C48_10 120.0 . . ?
C52_10 N2_10 Pt15 126(2) . . ?
C48_10 N2_10 Pt15 111(2) . . ?
C54_10 C53_10 C57_10 120.5(17) . . ?
C54_10 C53_10 C21_10 120(2) . . ?
C57_10 C53_10 C21_10 119(2) . . ?
C53_10 C54_10 C55_10 123.4(19) . . ?
N3_10 C55_10 C54_10 113.9(18) . . ?
C56_10 N3_10 C55_10 122.0(18) . . ?
C56_10 N3_10 Pt6 118(2) . . ?
C55_10 N3_10 Pt6 118.4(19) . . ?
N3_10 C56_10 C57_10 123(2) . . ?
C56_10 C57_10 C53_10 114.1(19) . . ?
C59_10 C58_10 N4_10 120.0 . . ?
C58_10 C59_10 C60_10 120.00(6) . . ?
C61_10 C60_10 C59_10 120.0 . . ?
C61_10 C60_10 C45_10 110(2) . . ?
C59_10 C60_10 C45_10 130(2) . . ?
C60_10 C61_10 C62_10 120.0 . . ?
C61_10 C62_10 N4_10 120.00(5) . . ?
C62_10 N4_10 C58_10 120.0 . . ?
C62_10 N4_10 Pt3 118.2(17) . . ?
C58_10 N4_10 Pt3 120.7(17) . . ?
C64_10 C63_10 N5_10 120.0 . . ?
C63_10 C64_10 C65_10 120.0 . . ?
C66_10 C65_10 C64_10 120.0 . . ?
C66_10 C65_10 C39_10 123(3) . . ?
C64_10 C65_10 C39_10 117(3) . . ?
C65_10 C66_10 C67_10 120.0 . . ?
C66_10 C67_10 N5_10 120.0 . . ?
C63_10 N5_10 C67_10 120.0 . . ?
C63_10 N5_10 Pt7 116(2) . . ?
C67_10 N5_10 Pt7 123(2) . . ?
C69_10 C68_10 N6_10 120.0 . . ?
C68_10 C69_10 C70_10 120.0 . . ?
C71_10 C70_10 C69_10 120.0 . . ?
C71_10 C70_10 C33_10 126(3) . . ?
C69_10 C70_10 C33_10 114(3) . . ?
C72_10 C71_10 C70_10 120.0 . . ?
C71_10 C72_10 N6_10 120.0 . . ?
C68_10 N6_10 C72_10 120.0 . . ?
C68_10 N6_10 Pt11 119(2) . . ?
C72_10 N6_10 Pt11 121(2) . . ?
O2_8 C1_8 O1_8 118(2) . . ?
O2_8 C1_8 C2_8 120.9(18) . . ?
O1_8 C1_8 C2_8 120.9(18) . . ?
C3_8 C2_8 C7_8 123.0(16) . . ?
C3_8 C2_8 C1_8 114.7(15) . . ?
C7_8 C2_8 C1_8 122.1(16) . . ?
C2_8 C3_8 C4_8 113.9(16) . . ?
C5_8 C4_8 C3_8 120.9(16) . . ?
C5_8 C4_8 C8_8 121.2(16) . . ?
C3_8 C4_8 C8_8 115.7(16) . . ?
C4_8 C5_8 C6_8 121.7(16) . . ?
C5_8 C6_8 C7_8 111.8(15) . . ?
C5_8 C6_8 C9_8 123.1(19) . . ?
C7_8 C6_8 C9_8 121.6(19) . . ?
C2_8 C7_8 C6_8 120.0(16) . . ?
O3_8 C8_8 O4_8 120.3(19) . . ?
O3_8 C8_8 C4_8 112.1(16) . . ?
O4_8 C8_8 C4_8 125.9(18) . . ?
C10_8 C9_8 C14_8 120.00(6) . . ?
C10_8 C9_8 C6_8 119(2) . . ?
C14_8 C9_8 C6_8 120(2) . . ?
C9_8 C10_8 C11_8 120.0 . . ?
C10_8 C11_8 C12_8 120.0 . . ?
C13_8 C12_8 C11_8 120.00(5) . . ?
C13_8 C12_8 N1_8 117(2) . . ?
C11_8 C12_8 N1_8 123(2) . . ?
C12_8 C13_8 C14_8 120.0 . . ?
C13_8 C14_8 C9_8 120.00(5) . . ?
C1_8 O2_8 Pt3 128.7(16) . . ?
C8_8 O3_8 Pt6 123.6(14) . . ?
C12_8 N1_8 C12_8 119.5(9) 3_665 2_655 ?
C12_8 N1_8 C12_8 119.5(17) 3_665 . ?
C12_8 N1_8 C12_8 119.5(18) 2_655 . ?
O2_9 C1_9 O1_9 123(3) . . ?
O2_9 C1_9 C2_9 125(2) . . ?
O1_9 C1_9 C2_9 112.2(16) . . ?
C7_9 C2_9 C3_9 115.8(17) . . ?
C7_9 C2_9 C1_9 127(2) . . ?
C3_9 C2_9 C1_9 116.0(19) . . ?
C4_9 C3_9 C2_9 124.4(18) . . ?
C5_9 C4_9 C3_9 117.7(18) . . ?
C5_9 C4_9 C8_9 119(2) . . ?
C3_9 C4_9 C8_9 120(2) . . ?
C4_9 C5_9 C6_9 117.4(17) . . ?
C5_9 C6_9 C7_9 123.9(17) . . ?
C5_9 C6_9 C9_9 118(2) . . ?
C7_9 C6_9 C9_9 118(2) . . ?
C2_9 C7_9 C6_9 118.7(17) . . ?
O4_9 C8_9 O3_9 119(2) . . ?
O4_9 C8_9 C4_9 116(3) . . ?
O3_9 C8_9 C4_9 116(3) . . ?
C14_9 C9_9 C10_9 120.6(17) . . ?
C14_9 C9_9 C6_9 123(3) . . ?
C10_9 C9_9 C6_9 116(3) . . ?
C11_9 C10_9 C9_9 118.5(19) . . ?
C10_9 C11_9 C12_9 120.5(19) . . ?
C13_9 C12_9 N1_9 114(3) . . ?
C13_9 C12_9 C11_9 121.2(17) . . ?
N1_9 C12_9 C11_9 124(3) . . ?
C12_9 C13_9 C14_9 118.0(19) . . ?
C9_9 C14_9 C13_9 121.0(19) . . ?
C16_9 C15_9 C20_9 122.6(18) . . ?
C16_9 C15_9 N1_9 113(3) . . ?
C20_9 C15_9 N1_9 124(3) . . ?
C15_9 C16_9 C17_9 117.1(19) . . ?
C18_9 C17_9 C16_9 120.7(19) . . ?
C17_9 C18_9 C19_9 121.4(18) . . ?
C17_9 C18_9 C35_9 123(3) . . ?
C19_9 C18_9 C35_9 113(3) . . ?
C18_9 C19_9 C20_9 118.2(19) . . ?
C15_9 C20_9 C19_9 119(2) . . ?
C22_9 C21_9 C26_9 120.00(6) . . ?
C22_9 C21_9 N1_9 115(3) . . ?
C26_9 C21_9 N1_9 124(3) . . ?
C21_9 C22_9 C23_9 120.00(6) . . ?
C24_9 C23_9 C22_9 120.0 . . ?
C25_9 C24_9 C23_9 120.00(6) . . ?
C25_9 C24_9 C27_9 121(3) . . ?
C23_9 C24_9 C27_9 119(3) . . ?
C24_9 C25_9 C26_9 120.0 . . ?
C25_9 C26_9 C21_9 120.0 . . ?
C32_9 C27_9 C28_9 120.0 . . ?
C32_9 C27_9 C24_9 121.3(19) . . ?
C28_9 C27_9 C24_9 118.2(19) . . ?
C29_9 C28_9 C27_9 120.0 . . ?
C28_9 C29_9 C30_9 120.0 . . ?
C28_9 C29_9 C33_9 123.3(14) . . ?
C30_9 C29_9 C33_9 115.5(14) . . ?
C29_9 C30_9 C31_9 120.0 . . ?
C32_9 C31_9 C30_9 120.0 . . ?
C32_9 C31_9 C34_9 118.4(16) . . ?
C30_9 C31_9 C34_9 120.6(16) . . ?
C27_9 C32_9 C31_9 120.0 . . ?
O6_9 C33_9 O5_9 119(3) . . ?
O6_9 C33_9 C29_9 119.0(17) . . ?
O5_9 C33_9 C29_9 112.9(15) . . ?
O6_9 C33_9 C6_40 149(3) . 2_655 ?
O5_9 C33_9 C6_40 61(2) . 2_655 ?
C29_9 C33_9 C6_40 84.1(17) . 2_655 ?
O8_9 C34_9 O7_9 115(2) . . ?
O8_9 C34_9 C31_9 114(2) . . ?
O7_9 C34_9 C31_9 122(3) . . ?
C36_9 C35_9 C40_9 123.6(18) . . ?
C36_9 C35_9 C18_9 119(2) . . ?
C40_9 C35_9 C18_9 117(2) . . ?
C35_9 C36_9 C37_9 117.8(19) . . ?
C36_9 C37_9 C38_9 118(2) . . ?
C36_9 C37_9 C41_9 116(2) . . ?
C38_9 C37_9 C41_9 119(2) . . ?
C37_9 C38_9 C39_9 122.6(19) . . ?
C38_9 C39_9 C40_9 118.8(18) . . ?
C38_9 C39_9 C42_9 120.3(19) . . ?
C40_9 C39_9 C42_9 120.0(19) . . ?
C35_9 C40_9 C39_9 117.2(18) . . ?
O10_9 C41_9 O9_9 134(3) . . ?
O10_9 C41_9 C37_9 113(2) . . ?
O9_9 C41_9 C37_9 113(2) . . ?
O12_9 C42_9 O11_9 110(3) . . ?
O12_9 C42_9 C39_9 126(3) . . ?
O11_9 C42_9 C39_9 116(2) . . ?
C1_9 O1_9 Pt7 118.7(17) . . ?
C8_9 O4_9 Pt11 134(2) . . ?
C33_9 O5_9 C6_40 72(3) . 2_655 ?
C33_9 O5_9 Pt16 129.0(19) . 2_655 ?
C6_40 O5_9 Pt16 126.2(19) 2_655 2_655 ?
C34_9 O8_9 Pt15 118.2(19) . 2_655 ?
C41_9 O9_9 Pt14 118(2) . . ?
C42_9 O11_9 Pt13 118.9(17) . . ?
C12_9 N1_9 C15_9 126(3) . . ?
C12_9 N1_9 C21_9 122(3) . . ?
C15_9 N1_9 C21_9 112(2) . . ?
C5_11 N1_11 C1_11 119(2) . . ?
C5_11 N1_11 Pt13 114(3) . . ?
C1_11 N1_11 Pt13 120(3) . . ?
N1_11 C1_11 C2_11 119(2) . . ?
C3_11 C2_11 C1_11 115(2) . . ?
C4_11 C3_11 C2_11 118.0(18) . . ?
C4_11 C3_11 C6_11 119(3) . . ?
C2_11 C3_11 C6_11 122(3) . . ?
C3_11 C4_11 C5_11 124(2) . . ?
N1_11 C5_11 C4_11 113(2) . . ?
C11_11 C6_11 C7_11 120.0 . . ?
C11_11 C6_11 C3_11 115(3) . . ?
C7_11 C6_11 C3_11 124(3) . . ?
C8_11 C7_11 C6_11 120.0 . . ?
C7_11 C8_11 C9_11 120.0 . . ?
C10_11 C9_11 C8_11 120.0 . . ?
C10_11 C9_11 C12_11 118(2) . . ?
C8_11 C9_11 C12_11 121(2) . . ?
C9_11 C10_11 C11_11 120.0 . . ?
C6_11 C11_11 C10_11 120.0 . . ?
C13_11 C12_11 C9_11 114(4) . . ?
C13_11 C12_11 C13_11 107(3) . 3_665 ?
C9_11 C12_11 C13_11 138(5) . 3_665 ?
C12_11 C13_11 C14_11 128(4) . . ?
C12_11 C13_11 C12_11 132(3) . 2_655 ?
C14_11 C13_11 C12_11 100(4) . 2_655 ?
C15_11 C14_11 C19_11 115(2) . . ?
C15_11 C14_11 C13_11 118(2) . . ?
C19_11 C14_11 C13_11 117(2) . . ?
C14_11 C15_11 C16_11 118(2) . . ?
C17_11 C16_11 C15_11 121(2) . . ?
C16_11 C17_11 C18_11 115.8(18) . . ?
C16_11 C17_11 C22_11 119(2) . . ?
C18_11 C17_11 C22_11 125(2) . . ?
C17_11 C18_11 C19_11 119(2) . . ?
C14_11 C19_11 C18_11 114(2) . . ?
N2_11 C20_11 C21_11 120.0 . . ?
C22_11 C21_11 C20_11 120.0 . . ?
C21_11 C22_11 C23_11 120.0 . . ?
C21_11 C22_11 C17_11 122(2) . . ?
C23_11 C22_11 C17_11 118(2) . . ?
C24_11 C23_11 C22_11 120.0 . . ?
N2_11 C24_11 C23_11 120.0 . . ?
C24_11 N2_11 C20_11 120.0 . . ?
C24_11 N2_11 Pt14 124(2) . . ?
C20_11 N2_11 Pt14 116(2) . . ?
C2_12 C1_12 P1_12 109.9(13) . . ?
C4_12 C3_12 P1_12 113.0(14) . . ?
C6_12 C5_12 P1_12 113.2(13) . . ?
C5_12 P1_12 C3_12 106.0(5) . . ?
C5_12 P1_12 C1_12 105.5(5) . . ?
C3_12 P1_12 C1_12 105.7(5) . . ?
C5_12 P1_12 Pt1 115.1(9) . . ?
C3_12 P1_12 Pt1 108.4(9) . . ?
C1_12 P1_12 Pt1 115.4(8) . . ?
C2_13 C1_13 P1_13 109.1(11) . . ?
C4_13 C3_13 P1_13 112.8(12) . . ?
C6_13 C5_13 P1_13 110.9(12) . . ?
C5_13 P1_13 C1_13 106.4(5) . . ?
C5_13 P1_13 C3_13 106.0(5) . . ?
C1_13 P1_13 C3_13 105.7(5) . . ?
C5_13 P1_13 Pt1 108.3(8) . . ?
C1_13 P1_13 Pt1 112.5(7) . . ?
C3_13 P1_13 Pt1 117.4(8) . . ?
C2_14 C1_14 P1_14 107.2(12) . . ?
C4_14 C3_14 P1_14 108.7(13) . . ?
C6_14 C5_14 P1_14 106.0(12) . . ?
C3_14 P1_14 C1_14 106.2(5) . . ?
C3_14 P1_14 C5_14 105.7(5) . . ?
C1_14 P1_14 C5_14 105.9(5) . . ?
C3_14 P1_14 Pt2 107.9(10) . . ?
C1_14 P1_14 Pt2 120.6(9) . . ?
C5_14 P1_14 Pt2 109.6(9) . . ?
C2_15 C1_15 P1_15 108.6(13) . . ?
C4_15 C3_15 P1_15 112.1(13) . . ?
C6_15 C5_15 P1_15 109.8(13) . . ?
C1_15 P1_15 C5_15 105.7(5) . . ?
C1_15 P1_15 C3_15 105.9(5) . . ?
C5_15 P1_15 C3_15 106.0(5) . . ?
C1_15 P1_15 Pt2 109.6(9) . . ?
C5_15 P1_15 Pt2 110.2(9) . . ?
C3_15 P1_15 Pt2 118.6(8) . . ?
C2_16 C1_16 P1_16 108.2(12) . . ?
C4_16 C3_16 P1_16 110.1(13) . . ?
C6_16 C5_16 P1_16 114.3(12) . . ?
C3_16 P1_16 C5_16 105.9(5) . . ?
C3_16 P1_16 C1_16 105.7(5) . . ?
C5_16 P1_16 C1_16 105.2(5) . . ?
C3_16 P1_16 Pt4 103.9(8) . . ?
C5_16 P1_16 Pt4 113.5(9) . . ?
C1_16 P1_16 Pt4 121.5(8) . . ?
C2_17 C1_17 P1_17 105.2(12) . . ?
C4_17 C3_17 P1_17 115.0(13) . . ?
C6_17 C5_17 P1_17 113.4(12) . . ?
C1_17 P1_17 C3_17 105.4(5) . . ?
C1_17 P1_17 C5_17 105.7(5) . . ?
C3_17 P1_17 C5_17 105.2(5) . . ?
C1_17 P1_17 Pt4 112.8(9) . . ?
C3_17 P1_17 Pt4 119.1(9) . . ?
C5_17 P1_17 Pt4 107.7(8) . . ?
C2_18 C1_18 P1_18 107.5(12) . . ?
C4_18 C3_18 P1_18 107.3(13) . . ?
C6_18 C5_18 P1_18 109.6(13) . . ?
C1_18 P1_18 C3_18 106.2(5) . . ?
C1_18 P1_18 C5_18 105.9(5) . . ?
C3_18 P1_18 C5_18 105.8(5) . . ?
C1_18 P1_18 Pt9 113.7(10) . . ?
C3_18 P1_18 Pt9 114.1(10) . . ?
C5_18 P1_18 Pt9 110.5(10) . . ?
C2_19 C1_19 P1_19 102.5(13) . . ?
C4_19 C3_19 P1_19 106.7(14) . . ?
C6_19 C5_19 P1_19 108.5(14) . . ?
C1_19 P1_19 C5_19 105.3(5) . . ?
C1_19 P1_19 C3_19 105.0(5) . . ?
C5_19 P1_19 C3_19 104.9(5) . . ?
C1_19 P1_19 Pt9 119.5(12) . . ?
C5_19 P1_19 Pt9 117.1(12) . . ?
C3_19 P1_19 Pt9 103.3(12) . . ?
C2_20 C1_20 P1_20 107.2(14) . . ?
C4_20 C3_20 P1_20 104.9(15) . . ?
C6_20 C5_20 P1_20 109.0(16) . . ?
C3_20 P1_20 C5_20 105.2(5) . . ?
C3_20 P1_20 C1_20 105.4(5) . . ?
C5_20 P1_20 C1_20 104.8(5) . . ?
C3_20 P1_20 Pt8 104.2(13) . . ?
C5_20 P1_20 Pt8 120.8(10) . . ?
C1_20 P1_20 Pt8 115.1(10) . . ?
C2_21 C1_21 P1_21 112.0(13) . . ?
C4_21 C3_21 P1_21 115.0(14) . . ?
C6_21 C5_21 P1_21 109.6(12) . . ?
C3_21 P1_21 C5_21 105.7(5) . . ?
C3_21 P1_21 C1_21 105.4(5) . . ?
C5_21 P1_21 C1_21 105.2(5) . . ?
C3_21 P1_21 Pt5 110.7(9) . . ?
C5_21 P1_21 Pt5 112.7(8) . . ?
C1_21 P1_21 Pt5 116.3(9) . . ?
C2_22 C1_22 P1_22 105.9(14) . . ?
C4_22 C3_22 P1_22 109.4(15) . . ?
C6_22 C5_22 P1_22 106.9(14) . . ?
C1_22 P1_22 C5_22 106.2(5) . . ?
C1_22 P1_22 C3_22 106.1(5) . . ?
C5_22 P1_22 C3_22 106.0(5) . . ?
C1_22 P1_22 Pt5 112.8(10) . . ?
C5_22 P1_22 Pt5 110.9(12) . . ?
C3_22 P1_22 Pt5 114.2(11) . . ?
C2_23 C1_23 P1_23 108.8(15) . . ?
C4_23 C3_23 P1_23 108.2(15) . . ?
C6_23 C5_23 P1_23 106.7(14) . . ?
C5_23 P1_23 C1_23 105.6(5) . . ?
C5_23 P1_23 C3_23 105.5(5) . . ?
C1_23 P1_23 C3_23 105.5(5) . . ?
C5_23 P1_23 Pt8 115.8(11) . . ?
C1_23 P1_23 Pt8 114.6(11) . . ?
C3_23 P1_23 Pt8 108.9(12) . . ?
C2_24 C1_24 P1_24 102.3(13) . . ?
C4_24 C3_24 P1_24 110.3(14) . . ?
C6_24 C5_24 P1_24 114.1(15) . . ?
C5_24 P1_24 C3_24 105.4(5) . . ?
C5_24 P1_24 C1_24 105.0(5) . . ?
C3_24 P1_24 C1_24 104.8(5) . . ?
C5_24 P1_24 Pt12 114.4(11) . . ?
C3_24 P1_24 Pt12 109.6(11) . . ?
C1_24 P1_24 Pt12 116.6(12) . . ?
C2_25 C1_25 P1_25 105.4(13) . . ?
C4_25 C3_25 P1_25 106.2(13) . . ?
C6_25 C5_25 P1_25 107.1(13) . . ?
C5_25 P1_25 C1_25 104.8(5) . . ?
C5_25 P1_25 C3_25 105.1(5) . . ?
C1_25 P1_25 C3_25 104.4(5) . . ?
C5_25 P1_25 Pt10 115.7(10) . . ?
C1_25 P1_25 Pt10 117.1(10) . . ?
C3_25 P1_25 Pt10 108.5(10) . . ?
C2_26 C1_26 P1_26 102.5(15) . . ?
C4_26 C3_26 P1_26 104.9(15) . . ?
C6_26 C5_26 P1_26 111.5(16) . . ?
C3_26 P1_26 C1_26 105.0(5) . . ?
C3_26 P1_26 C5_26 105.1(5) . . ?
C1_26 P1_26 C5_26 105.1(5) . . ?
C3_26 P1_26 Pt10 106.6(14) . . ?
C1_26 P1_26 Pt10 122.6(14) . . ?
C5_26 P1_26 Pt10 111.0(12) . . ?
C2_27 C1_27 P1_27 109.7(14) . . ?
C4_27 C3_27 P1_27 107.0(15) . . ?
C6_27 C5_27 P1_27 112.6(17) . . ?
C5_27 P1_27 C3_27 105.0(5) . . ?
C5_27 P1_27 C1_27 104.8(5) . . ?
C3_27 P1_27 C1_27 104.7(5) . . ?
C5_27 P1_27 Pt12 121.9(11) . . ?
C3_27 P1_27 Pt12 119.3(14) . . ?
C1_27 P1_27 Pt12 98.5(14) . . ?
C2_28 C1_28 P1_28 103.6(12) . . ?
C4_28 C3_28 P1_28 113.4(12) . . ?
C6_28 C5_28 P1_28 113.8(14) . . ?
C3_28 P1_28 C5_28 106.0(5) . . ?
C3_28 P1_28 C1_28 105.3(5) . . ?
C5_28 P1_28 C1_28 105.1(5) . . ?
C3_28 P1_28 Pt3 110.9(8) . . ?
C5_28 P1_28 Pt3 114.0(9) . . ?
C1_28 P1_28 Pt3 114.7(9) . . ?
C2_29 C1_29 P1_29 109.2(14) . . ?
C4_29 C3_29 P1_29 107.4(12) . . ?
C6_29 C5_29 P1_29 112.3(15) . . ?
C3_29 P1_29 C1_29 105.4(5) . . ?
C3_29 P1_29 C5_29 104.6(5) . . ?
C1_29 P1_29 C5_29 104.1(5) . . ?
C3_29 P1_29 Pt3 122.4(9) . . ?
C1_29 P1_29 Pt3 110.0(10) . . ?
C5_29 P1_29 Pt3 108.7(10) . . ?
C2_30 C1_30 P1_30 102.5(14) . . ?
C4_30 C3_30 P1_30 111.6(13) . . ?
C6_30 C5_30 P1_30 113.7(14) . . ?
C1_30 P1_30 C3_30 105.8(5) . . ?
C1_30 P1_30 C5_30 105.3(5) . . ?
C3_30 P1_30 C5_30 104.8(5) . . ?
C1_30 P1_30 Pt6 112.7(10) . . ?
C3_30 P1_30 Pt6 117.9(10) . . ?
C5_30 P1_30 Pt6 109.3(10) . . ?
C2_31 C1_31 P1_31 108.4(13) . . ?
C4_31 C3_31 P1_31 107.3(13) . . ?
C6_31 C5_31 P1_31 109.0(12) . . ?
C5_31 P1_31 C3_31 106.1(5) . . ?
C5_31 P1_31 C1_31 105.4(5) . . ?
C3_31 P1_31 C1_31 106.2(5) . . ?
C5_31 P1_31 Pt6 114.1(8) . . ?
C3_31 P1_31 Pt6 106.3(9) . . ?
C1_31 P1_31 Pt6 117.9(9) . . ?
C2_32 C1_32 P1_32 108.0(13) . . ?
C4_32 C3_32 P1_32 112.2(12) . . ?
C6_32 C5_32 P1_32 112.4(14) . . ?
C3_32 P1_32 C5_32 105.9(5) . . ?
C3_32 P1_32 C1_32 106.0(5) . . ?
C5_32 P1_32 C1_32 105.6(5) . . ?
C3_32 P1_32 Pt7 110.9(8) . . ?
C5_32 P1_32 Pt7 116.9(9) . . ?
C1_32 P1_32 Pt7 110.8(10) . . ?
C2_33 C1_33 P1_33 112.3(14) . . ?
C4_33 C3_33 P1_33 110.6(13) . . ?
C6_33 C5_33 P1_33 112.4(14) . . ?
C3_33 P1_33 C1_33 106.3(5) . . ?
C3_33 P1_33 C5_33 105.9(5) . . ?
C1_33 P1_33 C5_33 104.8(5) . . ?
C3_33 P1_33 Pt7 118.0(9) . . ?
C1_33 P1_33 Pt7 110.9(10) . . ?
C5_33 P1_33 Pt7 110.0(10) . . ?
C2_34 C1_34 P1_34 110.6(15) . . ?
C4_34 C3_34 P1_34 108.1(15) . . ?
C6_34 C5_34 P1_34 110.5(16) . . ?
C5_34 P1_34 C1_34 105.1(5) . . ?
C5_34 P1_34 C3_34 105.0(5) . . ?
C1_34 P1_34 C3_34 104.9(5) . . ?
C5_34 P1_34 Pt11 102.9(14) . . ?
C1_34 P1_34 Pt11 120.0(12) . . ?
C3_34 P1_34 Pt11 117.3(12) . . ?
C2_35 C1_35 P1_35 106.8(15) . . ?
C4_35 C3_35 P1_35 108.7(15) . . ?
C6_35 C5_35 P1_35 114.9(15) . . ?
C5_35 P1_35 C1_35 105.4(5) . . ?
C5_35 P1_35 C3_35 105.5(5) . . ?
C1_35 P1_35 C3_35 105.2(5) . . ?
C5_35 P1_35 Pt11 106.2(14) . . ?
C1_35 P1_35 Pt11 125.5(12) . . ?
C3_35 P1_35 Pt11 107.6(13) . . ?
C2_36 C1_36 P1_36 108.2(16) . . ?
C2_36 C1_36 Pt13 149(4) . . ?
P1_36 C1_36 Pt13 58.1(11) . . ?
C4_36 C3_36 P1_36 108.6(16) . . ?
C6_36 C5_36 P1_36 111.1(17) . . ?
C5_36 P1_36 C3_36 105.9(5) . . ?
C5_36 P1_36 C1_36 105.3(5) . . ?
C3_36 P1_36 C1_36 105.2(5) . . ?
C5_36 P1_36 Pt13 115.0(17) . . ?
C3_36 P1_36 Pt13 138.0(18) . . ?
C1_36 P1_36 Pt13 73.5(16) . . ?
C2_37 C1_37 P1_37 106.8(15) . . ?
C4_37 C3_37 P1_37 110.1(15) . . ?
C6_37 C5_37 P1_37 111.5(15) . . ?
C3_37 P1_37 C1_37 105.6(5) . . ?
C3_37 P1_37 C5_37 105.8(5) . . ?
C1_37 P1_37 C5_37 105.4(5) . . ?
C3_37 P1_37 Pt13 110.3(15) . . ?
C1_37 P1_37 Pt13 110.0(13) . . ?
C5_37 P1_37 Pt13 118.8(12) . . ?
C2_38 C1_38 P1_38 108.8(17) . . ?
C4_38 C3_38 P1_38 109.1(17) . . ?
C6_38 C5_38 P1_38 111.8(17) . . ?
C5_38 P1_38 C3_38 106.0(5) . . ?
C5_38 P1_38 C1_38 105.9(5) . . ?
C3_38 P1_38 C1_38 105.8(5) . . ?
C5_38 P1_38 Pt14 107.6(19) . . ?
C3_38 P1_38 Pt14 109.8(19) . . ?
C1_38 P1_38 Pt14 120.8(15) . . ?
C2_39 C1_39 P1_39 108.2(17) . . ?
C4_39 C3_39 P1_39 106.5(16) . . ?
C6_39 C5_39 P1_39 106.9(16) . . ?
C1_39 P1_39 C5_39 105.7(5) . . ?
C1_39 P1_39 C3_39 105.5(5) . . ?
C5_39 P1_39 C3_39 105.2(5) . . ?
C1_39 P1_39 Pt14 114.8(13) . . ?
C5_39 P1_39 Pt14 124.4(13) . . ?
C3_39 P1_39 Pt14 99.1(18) . . ?
C2_40 C1_40 P1_40 105.6(15) . . ?
C4_40 C3_40 P1_40 112.7(16) . . ?
C6_40 C5_40 P1_40 106.2(16) . . ?
C5_40 C6_40 O5_9 113(2) . 3_665 ?
C5_40 C6_40 C33_9 125(4) . 3_665 ?
O5_9 C6_40 C33_9 46.8(16) 3_665 3_665 ?
C3_40 P1_40 C1_40 106.7(5) . . ?
C3_40 P1_40 C5_40 106.7(5) . . ?
C1_40 P1_40 C5_40 106.1(5) . . ?
C3_40 P1_40 Pt16 104.4(11) . . ?
C1_40 P1_40 Pt16 125.9(14) . . ?
C5_40 P1_40 Pt16 105.8(13) . . ?
C2_41 C1_41 P1_41 107.4(16) . . ?
C4_41 C3_41 P1_41 106.3(15) . . ?
C6_41 C5_41 P1_41 110.1(16) . . ?
C3_41 P1_41 C5_41 106.2(5) . . ?
C3_41 P1_41 C1_41 105.8(5) . . ?
C5_41 P1_41 C1_41 105.7(5) . . ?
C3_41 P1_41 Pt15 112.7(5) . . ?
C5_41 P1_41 Pt15 112.8(5) . . ?
C1_41 P1_41 Pt15 113.1(5) . . ?
C2_42 C1_42 P1_42 99.9(15) . . ?
C4_42 C3_42 P1_42 107.9(16) . . ?
C6_42 C5_42 P1_42 109.6(17) . . ?
C5_42 P1_42 C3_42 105.7(5) . . ?
C5_42 P1_42 C1_42 105.8(5) . . ?
C3_42 P1_42 C1_42 105.6(5) . . ?
C5_42 P1_42 Pt15 113.3(5) . . ?
C3_42 P1_42 Pt15 113.1(5) . . ?
C1_42 P1_42 Pt15 112.7(5) . . ?
C2_43 C1_43 P1_43 103.4(14) . . ?
C4_43 C3_43 P1_43 110.3(16) . . ?
C6_43 C5_43 P1_43 108.7(15) . . ?
Pt16 P1_43 C5_43 113.9(5) . . ?
Pt16 P1_43 C1_43 113.5(5) . . ?
C5_43 P1_43 C1_43 106.0(5) . . ?
Pt16 P1_43 C3_43 111.9(5) . . ?
C5_43 P1_43 C3_43 105.4(5) . . ?
C1_43 P1_43 C3_43 105.3(5) . . ?

