# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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. 
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data_p63_sq
_database_code_depnum_ccdc_archive 'CCDC 2360627'
_audit_update_record             
;
2025-03-18 deposited with the CCDC.	2025-03-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C112 H128 N40 Pd4, (O40 Si Mo12), 8(N O3), 74 (H2 O)'
_chemical_formula_sum            'C112 H276 Mo12 N40 O138 Pd4 Si'
_chemical_formula_weight         5996.68

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      hexagonal
_space_group_IT_number           173
_space_group_name_H-M_alt        'P 63'
_space_group_name_Hall           'P 6c'

_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, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'

_cell_length_a                   55.438(4)
_cell_length_b                   55.438(4)
_cell_length_c                   34.467(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     91736(13)
_cell_formula_units_Z            18
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    9992
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      20.45

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.954
_exptl_crystal_F_000             54612
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    1.187
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5834
_exptl_absorpt_correction_T_max  0.7446
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            284618
_diffrn_reflns_av_unetI/netI     0.1007
_diffrn_reflns_av_R_equivalents  0.1551
_diffrn_reflns_limit_h_min       -48
_diffrn_reflns_limit_h_max       48
_diffrn_reflns_limit_k_min       -48
_diffrn_reflns_limit_k_max       46
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.182
_diffrn_reflns_theta_max         17.999
_diffrn_reflns_theta_full        17.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             41961
_reflns_number_gt                27259
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.951
_reflns_Friedel_fraction_max     0.997
_reflns_Friedel_fraction_full    0.997

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1492P)²+1609.0101P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.57(8)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         41961
_refine_ls_number_parameters     4560
_refine_ls_number_restraints     11704
_refine_ls_R_factor_all          0.1389
_refine_ls_R_factor_gt           0.0935
_refine_ls_wR_factor_ref         0.2746
_refine_ls_wR_factor_gt          0.2345
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      0.982
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.5167(6) -0.2229(4) 0.4957(8) 0.067(5) Uiso 1 1 d D U . . .
Mo4 Mo 0.80367(13) -0.00992(14) 0.68866(18) 0.0744(17) Uani 1 1 d . U . . .
Mo7 Mo 0.79065(13) -0.07059(12) 0.72910(17) 0.0643(15) Uani 1 1 d . U . . .
Mo8 Mo 0.88910(13) 0.05773(13) 0.8147(2) 0.0775(13) Uani 1 1 d . U . . .
Mo22 Mo 0.80598(13) -0.03072(15) 0.86103(18) 0.0796(17) Uani 1 1 d . U . . .
Mo25 Mo 0.76899(12) -0.03036(13) 0.77351(17) 0.0662(16) Uani 1 1 d . U . . .
Mo28 Mo 0.82866(15) -0.07015(13) 0.81668(16) 0.0752(17) Uani 1 1 d . U . . .
O28 O 0.6047(6) 0.1638(7) 0.4992(11) 0.061(3) Uani 1 1 d D U . . .
Mo29 Mo 0.87919(14) 0.01518(15) 0.68594(18) 0.0761(17) Uani 1 1 d . U . . .
Mo31 Mo 0.85358(15) 0.05694(13) 0.73573(19) 0.0814(17) Uani 1 1 d D U . . .
Mo35 Mo 0.86604(13) -0.04612(13) 0.72306(18) 0.0689(16) Uani 1 1 d . U . . .
Mo39 Mo 0.82077(13) 0.03552(13) 0.8212(2) 0.0775(13) Uani 1 1 d D U . . .
Mo3 Mo 0.60956(10) 0.16530(11) 0.44890(16) 0.0499(13) Uani 1 1 d . U . . .
Mo6 Mo 0.71194(11) 0.24552(11) 0.54327(16) 0.0602(14) Uani 1 1 d . U . . .
Mo9 Mo 0.50122(11) -0.22329(12) 0.45141(18) 0.0634(15) Uani 1 1 d . U . . .
Mo10 Mo 0.69814(12) 0.13493(12) 0.49123(16) 0.0659(15) Uani 1 1 d . U . . .
Mo12 Mo 0.73658(11) 0.23429(13) 0.45008(16) 0.0752(17) Uani 1 1 d . U . . .
Mo13 Mo 0.73730(11) 0.19513(11) 0.53722(17) 0.0611(15) Uani 1 1 d . U . . .
Mo14 Mo 0.43589(12) -0.16134(14) 0.44809(16) 0.0714(16) Uani 1 1 d . U . . .
Mo16 Mo 0.47262(12) -0.12444(13) 0.53695(18) 0.0740(16) Uani 1 1 d . U . . .
Mo17 Mo 0.67646(11) 0.14745(12) 0.57528(15) 0.0585(14) Uani 1 1 d . U . . .
Mo18 Mo 0.53339(13) -0.10448(13) 0.49207(17) 0.0760(16) Uani 1 1 d . U . . .
Mo24 Mo 0.67630(11) 0.21824(12) 0.40638(16) 0.0592(14) Uani 1 1 d . U . . .
Mo21 Mo 0.41986(12) -0.19952(13) 0.54029(18) 0.0769(16) Uani 1 1 d . U . . .
Mo23 Mo 0.44959(12) -0.20775(12) 0.40707(16) 0.0646(15) Uani 1 1 d . U . . .
Mo27 Mo 0.46692(13) -0.21243(14) 0.58154(18) 0.0897(19) Uani 1 1 d . U . . .
Mo30 Mo 0.63192(13) 0.11991(13) 0.4431(2) 0.0909(18) Uani 1 1 d . U . . .
Mo32 Mo 0.65089(14) 0.19723(12) 0.58022(18) 0.0783(17) Uani 1 1 d . U . . .
Mo33 Mo 0.65246(11) 0.23200(11) 0.49984(16) 0.0575(14) Uani 1 1 d . U . . .
Mo34 Mo 0.61014(11) 0.13056(12) 0.52766(18) 0.0709(16) Uani 1 1 d . U . . .
Mo36 Mo 0.54914(12) -0.15584(13) 0.4486(2) 0.0844(17) Uani 1 1 d . U . . .
Mo37 Mo 0.70060(14) 0.17387(13) 0.40371(17) 0.0770(16) Uani 1 1 d . U . . .
Mo38 Mo 0.51883(13) -0.13851(14) 0.57682(17) 0.0809(17) Uani 1 1 d . U . . .
Mo40 Mo 0.43385(12) -0.24572(12) 0.50044(17) 0.0672(15) Uani 1 1 d . U . . .
Mo41 Mo 0.49645(13) -0.14038(14) 0.40418(17) 0.0844(18) Uani 1 1 d . U . . .
Mo42 Mo 0.91253(12) 0.01365(12) 0.76593(17) 0.0604(15) Uani 1 1 d . U . . .
Mo44 Mo 0.53358(13) -0.19043(15) 0.53239(18) 0.0879(17) Uani 1 1 d D U . . .
Mo45 Mo 0.87449(12) -0.00919(12) 0.85835(15) 0.0596(15) Uani 1 1 d . U . . .
O2 O 0.9459(8) 0.0257(8) 0.7764(11) 0.064(6) Uani 1 1 d . U . . .
O4 O 0.7901(8) -0.0481(7) 0.6854(9) 0.066(4) Uani 1 1 d D U . . .
O7 O 0.8724(8) -0.0706(8) 0.6984(11) 0.073(7) Uani 1 1 d . U . . .
O8 O 0.8374(8) -0.0233(8) 0.8134(10) 0.056(3) Uani 1 1 d . U . . .
O3 O 0.9048(8) -0.0219(8) 0.7436(11) 0.063(4) Uani 1 1 d . U . . .
O5 O 0.8558(8) -0.0582(7) 0.7752(11) 0.061(4) Uani 1 1 d . U . . .
O6 O 0.7915(8) -0.0022(7) 0.6498(10) 0.083(7) Uani 1 1 d D U . . .
O9 O 0.8493(8) 0.0235(8) 0.7792(11) 0.062(3) Uani 1 1 d . U . . .
Si10 Si 0.6738(3) 0.1824(3) 0.4928(5) 0.046(2) Uani 1 1 d . U . . .
O10 O 0.8417(8) -0.0168(8) 0.8832(10) 0.069(4) Uani 1 1 d . U . . .
O11 O 0.8261(8) -0.0617(8) 0.7079(10) 0.062(4) Uani 1 1 d . U . . .
O12 O 0.8644(7) -0.0065(8) 0.7446(10) 0.055(3) Uani 1 1 d . U . . .
O13 O 0.7609(8) -0.0654(8) 0.7513(11) 0.068(4) Uani 1 1 d . U . . .
O14 O 0.7397(8) -0.0358(9) 0.7835(12) 0.078(6) Uani 1 1 d . U . . .
O15 O 0.7823(9) -0.0385(10) 0.8990(11) 0.093(7) Uani 1 1 d . U . . .
O16 O 0.8044(8) 0.0476(8) 0.8551(12) 0.083(7) Uani 1 1 d . U . . .
O17 O 0.7790(8) -0.0398(8) 0.8220(11) 0.067(4) Uani 1 1 d . U . . .
O18 O 0.9162(8) 0.0874(8) 0.8397(13) 0.075(7) Uani 1 1 d . U . . .
O21 O 0.8983(8) -0.0041(8) 0.8136(11) 0.060(4) Uani 1 1 d . U . . .
O23 O 0.8279(9) -0.1009(8) 0.8262(11) 0.082(7) Uani 1 1 d . U . . .
O24 O 0.7710(8) -0.0182(8) 0.7238(11) 0.069(4) Uani 1 1 d . U . . .
O27 O 0.8143(7) -0.0209(7) 0.7496(10) 0.056(3) Uani 1 1 d . U . . .
O30 O 0.9072(8) 0.0445(8) 0.7830(11) 0.064(4) Uani 1 1 d . U . . .
O32 O 0.8754(8) 0.0455(8) 0.7104(11) 0.071(4) Uani 1 1 d . U . . .
O33 O 0.8599(9) -0.0489(8) 0.8496(10) 0.067(4) Uani 1 1 d . U . . .
O34 O 0.8423(8) -0.0025(8) 0.6717(11) 0.071(4) Uani 1 1 d . U . . .
O36 O 0.8847(8) 0.0775(7) 0.7719(11) 0.076(4) Uani 1 1 d . U . . .
O37 O 0.8320(8) 0.0599(8) 0.7770(7) 0.080(4) Uani 1 1 d D U . . .
O38 O 0.6363(9) 0.1957(8) 0.6204(12) 0.082(7) Uani 1 1 d . U . . .
O40 O 0.5060(8) -0.0980(8) 0.5091(11) 0.073(3) Uani 1 1 d . U . . .
O42 O 0.5794(8) -0.1401(8) 0.4264(12) 0.084(7) Uani 1 1 d . U . . .
O41 O 0.5512(8) -0.1255(8) 0.4742(11) 0.076(4) Uani 1 1 d . U . . .
O43 O 0.5619(8) -0.0698(8) 0.4813(11) 0.082(7) Uani 1 1 d . U . . .
O44 O 0.4585(8) -0.1065(8) 0.5564(11) 0.076(6) Uani 1 1 d . U . . .
O49 O 0.4565(8) -0.1338(8) 0.4875(11) 0.071(4) Uani 1 1 d . U . . .
O51 O 0.4729(8) -0.1769(8) 0.3770(10) 0.073(4) Uani 1 1 d . U . . .
O52 O 0.5523(8) -0.1962(9) 0.5644(11) 0.089(8) Uani 1 1 d . U . . .
O48 O 0.5135(8) -0.1141(8) 0.4473(11) 0.074(4) Uani 1 1 d . U . . .
O50 O 0.5354(8) -0.1929(8) 0.4277(12) 0.076(4) Uani 1 1 d . U . . .
O19 O 0.8816(8) 0.0268(8) 0.8526(11) 0.064(4) Uani 1 1 d . U . . .
O20 O 0.8976(8) -0.0040(9) 0.8927(11) 0.070(7) Uani 1 1 d . U . . .
O22 O 0.8001(8) -0.0757(8) 0.7787(11) 0.067(4) Uani 1 1 d . U . . .
O25 O 0.7687(8) -0.1047(8) 0.7113(11) 0.070(7) Uani 1 1 d . U . . .
O26 O 0.8165(8) 0.0076(9) 0.8538(11) 0.071(4) Uani 1 1 d . U . . .
O29 O 0.8601(9) 0.0862(8) 0.7068(13) 0.085(7) Uani 1 1 d . U . . .
O31 O 0.8891(10) 0.0240(11) 0.6339(10) 0.083(7) Uani 1 1 d . U . . .
O35 O 0.9134(8) 0.0269(8) 0.7111(11) 0.068(4) Uani 1 1 d . U . . .
O39 O 0.7893(8) 0.0062(8) 0.7867(11) 0.069(4) Uani 1 1 d . U . . .
O45 O 0.4966(8) -0.1225(8) 0.5789(11) 0.076(3) Uani 1 1 d . U . . .
O46 O 0.5255(8) -0.1498(8) 0.4154(11) 0.077(4) Uani 1 1 d . U . . .
O47 O 0.4639(8) -0.1384(9) 0.4094(11) 0.078(4) Uani 1 1 d . U . . .
O54 O 0.5017(7) -0.2509(8) 0.4301(10) 0.065(7) Uani 1 1 d . U . . .
O55 O 0.4975(7) -0.1435(8) 0.5191(10) 0.065(3) Uani 1 1 d . U . . .
O56 O 0.4589(7) -0.2011(7) 0.5191(10) 0.061(3) Uani 1 1 d . U . . .
O57 O 0.4314(8) -0.2297(8) 0.3712(10) 0.065(6) Uani 1 1 d . U . . .
O58 O 0.4786(7) -0.2160(8) 0.4171(10) 0.064(4) Uani 1 1 d . U . . .
O59 O 0.5107(7) -0.1820(8) 0.4827(10) 0.065(3) Uani 1 1 d . U . . .
O60 O 0.4669(7) -0.2428(8) 0.4826(11) 0.066(4) Uani 1 1 d . U . . .
O61 O 0.4074(7) -0.2346(8) 0.5206(11) 0.071(4) Uani 1 1 d . U . . .
O62 O 0.5078(9) -0.1223(9) 0.3593(11) 0.093(8) Uani 1 1 d . U . . .
O63 O 0.4124(8) -0.1515(9) 0.4339(11) 0.080(6) Uani 1 1 d . U . . .
O64 O 0.4176(8) -0.1861(8) 0.4901(11) 0.067(4) Uani 1 1 d . U . . .
O65 O 0.4327(7) -0.2295(8) 0.4511(11) 0.062(4) Uani 1 1 d . U . . .
O66 O 0.4440(8) -0.2479(8) 0.5508(11) 0.076(4) Uani 1 1 d . U . . .
O67 O 0.3886(8) -0.2044(8) 0.5566(12) 0.085(7) Uani 1 1 d . U . . .
O68 O 0.4649(9) -0.2274(10) 0.6249(11) 0.096(8) Uani 1 1 d . U . . .
O69 O 0.5612(7) -0.1679(6) 0.4943(9) 0.090(4) Uani 1 1 d D U . . .
O70 O 0.4977(6) -0.2113(6) 0.5609(9) 0.081(4) Uani 1 1 d D U . . .
O71 O 0.5355(9) -0.1286(9) 0.6213(12) 0.086(7) Uani 1 1 d . U . . .
O72 O 0.4339(8) -0.2071(8) 0.5828(11) 0.081(4) Uani 1 1 d . U . . .
O74 O 0.5433(8) -0.1060(8) 0.5461(11) 0.078(4) Uani 1 1 d . U . . .
O75 O 0.4718(7) -0.1728(8) 0.4504(10) 0.060(3) Uani 1 1 d . U . . .
O76 O 0.4264(8) -0.1910(8) 0.4102(10) 0.069(4) Uani 1 1 d . U . . .
Si77 Si 0.4842(4) -0.1754(4) 0.4933(5) 0.056(2) Uani 1 1 d . U . . .
Si78 Si 0.8405(4) -0.0078(4) 0.7722(5) 0.049(2) Uani 1 1 d . U . . .
O80 O 0.8050(9) -0.0670(9) 0.8524(11) 0.076(4) Uani 1 1 d . U . . .
O81 O 0.6707(8) 0.1297(8) 0.6202(11) 0.069(7) Uani 1 1 d . U . . .
O82 O 0.7166(7) 0.1715(8) 0.5804(11) 0.062(4) Uani 1 1 d . U . . .
O83 O 0.6715(7) 0.2064(7) 0.5186(10) 0.053(2) Uani 1 1 d . U . . .
O84 O 0.6865(8) 0.2295(8) 0.5862(11) 0.069(4) Uani 1 1 d . U . . .
O85 O 0.6853(7) 0.1240(8) 0.5441(11) 0.066(4) Uani 1 1 d . U . . .
O86 O 0.6397(7) 0.1280(8) 0.5511(11) 0.062(4) Uani 1 1 d . U . . .
O87 O 0.7275(7) 0.2492(8) 0.4920(10) 0.062(4) Uani 1 1 d . U . . .
O88 O 0.7701(8) 0.2572(9) 0.4371(12) 0.090(7) Uani 1 1 d . U . . .
O89 O 0.7383(8) 0.2781(8) 0.5592(11) 0.068(7) Uani 1 1 d . U . . .
O90 O 0.7696(7) 0.2099(7) 0.5577(11) 0.066(6) Uani 1 1 d . U . . .
O91 O 0.5834(7) 0.1099(8) 0.5536(12) 0.085(7) Uani 1 1 d . U . . .
O92 O 0.5832(7) 0.1650(7) 0.4267(10) 0.052(6) Uani 1 1 d . U . . .
O93 O 0.6395(8) 0.2203(7) 0.5514(10) 0.064(3) Uani 1 1 d . U . . .
O95 O 0.6076(8) 0.1325(8) 0.4232(12) 0.073(4) Uani 1 1 d . U . . .
O96 O 0.6427(7) 0.1572(7) 0.4796(10) 0.056(3) Uani 1 1 d . U . . .
O97 O 0.6386(7) 0.2538(7) 0.4940(10) 0.058(6) Uani 1 1 d . U . . .
O98 O 0.6407(7) 0.1899(7) 0.4166(10) 0.056(4) Uani 1 1 d . U . . .
O99 O 0.6596(8) 0.1441(8) 0.4110(12) 0.075(4) Uani 1 1 d . U . . .
O100 O 0.6236(8) 0.1659(8) 0.5561(10) 0.065(4) Uani 1 1 d . U . . .
O101 O 0.6698(7) 0.1754(8) 0.5885(10) 0.062(4) Uani 1 1 d . U . . .
O102 O 0.7256(7) 0.2218(7) 0.5534(10) 0.059(4) Uani 1 1 d . U . . .
O103 O 0.7081(10) 0.1616(9) 0.3631(11) 0.088(7) Uani 1 1 d . U . . .
O105 O 0.7332(7) 0.1641(8) 0.5113(11) 0.065(4) Uani 1 1 d . U . . .
O106 O 0.6600(8) 0.1170(8) 0.4683(11) 0.077(4) Uani 1 1 d . U . . .
O107 O 0.6897(7) 0.1972(7) 0.4516(10) 0.055(3) Uani 1 1 d . U . . .
O108 O 0.6911(7) 0.1686(7) 0.5156(10) 0.052(2) Uani 1 1 d . U . . .
O111 O 0.6187(8) 0.0887(8) 0.4241(14) 0.100(7) Uani 1 1 d . U . . .
O112 O 0.7446(7) 0.2134(8) 0.4888(10) 0.063(4) Uani 1 1 d . U . . .
O113 O 0.7095(8) 0.1575(8) 0.4465(11) 0.069(4) Uani 1 1 d . U . . .
O114 O 0.7179(7) 0.2446(8) 0.4145(10) 0.065(4) Uani 1 1 d . U . . .
O115 O 0.6717(7) 0.2358(8) 0.3691(10) 0.061(6) Uani 1 1 d . U . . .
O116 O 0.6881(8) 0.1954(8) 0.3745(10) 0.069(3) Uani 1 1 d . U . . .
O117 O 0.7072(9) 0.1089(9) 0.4790(11) 0.082(7) Uani 1 1 d . U . . .
O118 O 0.6705(7) 0.2339(7) 0.4512(10) 0.056(4) Uani 1 1 d . U . . .
O119 O 0.6081(8) 0.1050(8) 0.4887(12) 0.081(4) Uani 1 1 d . U . . .
O120 O 0.5366(7) -0.1568(6) 0.5558(9) 0.083(4) Uani 1 1 d D U . . .
O121 O 0.4443(8) -0.1624(8) 0.5494(11) 0.071(4) Uani 1 1 d . U . . .
O122 O 0.8790(8) -0.0197(9) 0.6801(11) 0.073(4) Uani 1 1 d . U . . .
O123 O 0.8568(8) 0.0578(8) 0.8364(12) 0.073(4) Uani 1 1 d . U . . .
O125 O 0.6218(7) 0.1985(7) 0.4790(10) 0.055(3) Uani 1 1 d . U . . .
O126 O 0.6883(7) 0.2581(7) 0.5226(10) 0.061(4) Uani 1 1 d . U . . .
O127 O 0.4111(8) -0.2798(8) 0.4956(11) 0.072(6) Uani 1 1 d . U . . .
O128 O 0.8237(9) 0.0281(8) 0.7113(11) 0.075(4) Uani 1 1 d . U . . .
O200 O 0.4899(8) -0.1718(8) 0.5892(11) 0.078(4) Uani 1 1 d . U . . .
O251 O 0.7339(8) 0.2089(9) 0.4087(10) 0.075(4) Uani 1 1 d . U . . .
N1_1 N 0.8886(9) 0.1643(7) 0.8712(11) 0.094(5) Uani 1 1 d G U . . .
C2_1 C 0.8639(8) 0.1409(9) 0.8599(10) 0.087(6) Uani 1 1 d G U . . .
H2_1 H 0.852893 0.142389 0.839917 0.104 Uiso 1 1 calc R U . . .
C3_1 C 0.8554(6) 0.1154(7) 0.8776(10) 0.087(5) Uani 1 1 d DG U . . .
H3_1 H 0.838552 0.099427 0.869851 0.105 Uiso 1 1 calc R U . . .
C4_1 C 0.8716(7) 0.1133(7) 0.9068(10) 0.0829(18) Uani 1 1 d G U . . .
C5_1 C 0.8962(7) 0.1367(8) 0.9182(10) 0.091(6) Uani 1 1 d DG U . . .
H5_1 H 0.907263 0.135206 0.938130 0.109 Uiso 1 1 calc R U . . .
C6_1 C 0.9047(7) 0.1622(7) 0.9004(12) 0.091(6) Uani 1 1 d G U . . .
H6_1 H 0.921605 0.178169 0.908196 0.109 Uiso 1 1 calc R U . . .
N13_1 N 0.7549(6) -0.0125(8) 0.9781(11) 0.0829(18) Uani 1 1 d G U . . .
C14_1 C 0.7767(9) -0.0156(7) 0.9922(10) 0.0829(18) Uani 1 1 d G U . . .
H14_1 H 0.773064 -0.029978 1.010193 0.100 Uiso 1 1 calc R U . . .
C15_1 C 0.8038(7) 0.0024(9) 0.9800(12) 0.0829(18) Uani 1 1 d G U . . .
H15_1 H 0.818687 0.000336 0.989583 0.100 Uiso 1 1 calc R U . . .
C16_1 C 0.8091(6) 0.0235(8) 0.9537(12) 0.0829(18) Uani 1 1 d G U . . .
C17_1 C 0.7873(9) 0.0266(7) 0.9396(10) 0.0829(18) Uani 1 1 d G U . . .
H17_1 H 0.790894 0.041028 0.921614 0.100 Uiso 1 1 calc R U . . .
C18_1 C 0.7602(7) 0.0086(9) 0.9518(11) 0.0829(18) Uani 1 1 d G U . . .
H18_1 H 0.745270 0.010714 0.942224 0.100 Uiso 1 1 calc R U . . .
C7_1 C 0.8372(6) 0.0415(7) 0.9428(11) 0.0829(18) Uani 1 1 d G U . . .
N8_1 N 0.8417(7) 0.0657(9) 0.9246(11) 0.0829(18) Uani 1 1 d G U . . .
C9_1 C 0.8686(8) 0.0863(7) 0.9150(10) 0.083(4) Uani 1 1 d DG U . . .
N10_1 N 0.8910(6) 0.0827(8) 0.9238(11) 0.0829(18) Uani 1 1 d G U . . .
C11_1 C 0.8865(7) 0.0584(9) 0.9421(11) 0.0829(18) Uani 1 1 d G U . . .
N12_1 N 0.8596(9) 0.0378(7) 0.9516(10) 0.0829(18) Uani 1 1 d G U . . .
N19_1 N 0.9492(7) 0.0400(9) 0.9481(11) 0.076(5) Uani 1 1 d G U . . .
C20_1 C 0.9258(9) 0.0242(7) 0.9708(10) 0.078(4) Uani 1 1 d G U . . .
H20_1 H 0.924619 0.009498 0.986361 0.094 Uiso 1 1 calc R U . . .
C21_1 C 0.9040(7) 0.0298(9) 0.9708(11) 0.0829(18) Uani 1 1 d G U . . .
H21_1 H 0.887952 0.018973 0.986329 0.100 Uiso 1 1 calc R U . . .
C22_1 C 0.9056(7) 0.0513(10) 0.9481(13) 0.082(4) Uani 1 1 d G U . . .
C23_1 C 0.9291(9) 0.0672(8) 0.9253(11) 0.080(5) Uani 1 1 d G U . . .
H23_1 H 0.930197 0.081838 0.909798 0.097 Uiso 1 1 calc R U . . .
C24_1 C 0.9508(7) 0.0615(8) 0.9254(10) 0.077(5) Uani 1 1 d G U . . .
H24_1 H 0.966864 0.072364 0.909830 0.093 Uiso 1 1 calc R U . . .
C25_1 C 0.9696(11) 0.0290(12) 0.9511(16) 0.073(5) Uani 1 1 d D U . . .
H25A_1 H 0.959745 0.008351 0.950681 0.088 Uiso 1 1 calc R U . . .
H25B_1 H 0.981240 0.035849 0.974700 0.088 Uiso 1 1 calc R U . . .
C26_1 C 0.9869(6) 0.0415(7) 0.9139(8) 0.062(6) Uani 1 1 d G U . . .
C27_1 C 1.0132(6) 0.0652(6) 0.9151(9) 0.053(7) Uani 1 1 d DG U . . .
H27_1 H 1.020448 0.074607 0.939018 0.064 Uiso 1 1 calc R U . . .
C28_1 C 1.0289(6) 0.0751(6) 0.8814(11) 0.049(7) Uani 1 1 d G U . . .
H28_1 H 1.046811 0.091228 0.882185 0.059 Uiso 1 1 calc R U . . .
C29_1 C 1.0183(7) 0.0613(8) 0.8464(9) 0.054(6) Uani 1 1 d G U . . .
C30_1 C 0.9920(8) 0.0376(7) 0.8452(8) 0.057(7) Uani 1 1 d G U . . .
H30_1 H 0.984770 0.028168 0.821327 0.068 Uiso 1 1 calc R U . . .
C31_1 C 0.9764(6) 0.0277(6) 0.8790(9) 0.057(7) Uani 1 1 d DG U . . .
H31_1 H 0.958405 0.011547 0.878161 0.068 Uiso 1 1 calc R U . . .
C32_1 C 1.0347(12) 0.0792(12) 0.8091(16) 0.062(6) Uani 1 1 d . U . . .
H32A_1 H 1.051228 0.096978 0.816780 0.074 Uiso 1 1 calc R U . . .
H32B_1 H 1.040616 0.068688 0.792208 0.074 Uiso 1 1 calc R U . . .
N33_1 N 1.0137(7) 0.0842(7) 0.7892(10) 0.059(5) Uani 1 1 d G U . . .
C34_1 C 1.0043(7) 0.0999(7) 0.8087(8) 0.063(5) Uani 1 1 d G U . . .
H34_1 H 1.009721 0.105379 0.834840 0.075 Uiso 1 1 calc R U . . .
C35_1 C 0.9870(8) 0.1076(7) 0.7899(11) 0.062(5) Uani 1 1 d G U . . .
H35_1 H 0.980622 0.118402 0.803223 0.074 Uiso 1 1 calc R U . . .
C36_1 C 0.9791(7) 0.0996(8) 0.7517(11) 0.066(4) Uani 1 1 d G U . . .
C37_1 C 0.9884(8) 0.0839(8) 0.7322(8) 0.063(5) Uani 1 1 d G U . . .
H37_1 H 0.983012 0.078438 0.706094 0.075 Uiso 1 1 calc R U . . .
C38_1 C 1.0057(7) 0.0762(7) 0.7510(10) 0.063(5) Uani 1 1 d G U . . .
H38_1 H 1.012111 0.065415 0.737711 0.075 Uiso 1 1 calc R U . . .
C39_1 C 0.9586(7) 0.1030(8) 0.7349(10) 0.069(3) Uani 1 1 d G U . . .
N40_1 N 0.9489(7) 0.1175(8) 0.7568(7) 0.071(4) Uani 1 1 d G U . . .
C41_1 C 0.9310(7) 0.1253(7) 0.7402(10) 0.075(4) Uani 1 1 d G U . . .
N42_1 N 0.9228(7) 0.1187(8) 0.7017(10) 0.071(4) Uani 1 1 d G U . . .
C43_1 C 0.9325(7) 0.1041(8) 0.6799(7) 0.069(3) Uani 1 1 d G U . . .
N44_1 N 0.9504(7) 0.0963(7) 0.6965(10) 0.069(3) Uani 1 1 d G U . . .
N45_1 N 0.9122(9) 0.1801(8) 0.7992(12) 0.093(4) Uani 1 1 d G U . . .
C46_1 C 0.8968(7) 0.1656(9) 0.7669(12) 0.090(5) Uani 1 1 d G U . . .
H46_1 H 0.881898 0.168021 0.758125 0.108 Uiso 1 1 calc R U . . .
C47_1 C 0.9031(9) 0.1475(9) 0.7474(10) 0.086(4) Uani 1 1 d G U . . .
H47_1 H 0.892545 0.137543 0.725362 0.103 Uiso 1 1 calc R U . . .
C48_1 C 0.9249(9) 0.1439(8) 0.7603(12) 0.0829(18) Uani 1 1 d G U . . .
C49_1 C 0.9403(8) 0.1584(9) 0.7926(12) 0.082(5) Uani 1 1 d G U . . .
H49_1 H 0.955203 0.155957 0.801380 0.098 Uiso 1 1 calc R U . . .
C50_1 C 0.9340(8) 0.1765(8) 0.8121(10) 0.085(5) Uani 1 1 d G U . . .
H50_1 H 0.944557 0.186435 0.834143 0.102 Uiso 1 1 calc R U . . .
N51_1 N 0.9141(8) 0.0892(8) 0.5630(8) 0.0829(18) Uani 1 1 d G U . . .
C52_1 C 0.9351(8) 0.0857(8) 0.5791(11) 0.076(5) Uani 1 1 d G U . . .
H52_1 H 0.945377 0.079999 0.563154 0.091 Uiso 1 1 calc R U . . .
C53_1 C 0.9412(8) 0.0906(9) 0.6184(11) 0.075(5) Uani 1 1 d G U . . .
H53_1 H 0.955586 0.088188 0.629354 0.090 Uiso 1 1 calc R U . . .
C54_1 C 0.9262(9) 0.0989(10) 0.6416(8) 0.071(5) Uani 1 1 d G U . . .
C55_1 C 0.9051(8) 0.1024(9) 0.6256(10) 0.073(5) Uani 1 1 d G U . . .
H55_1 H 0.894867 0.108059 0.641469 0.088 Uiso 1 1 calc R U . . .
C56_1 C 0.8991(7) 0.0975(8) 0.5862(11) 0.075(5) Uani 1 1 d G U . . .
H56_1 H 0.884657 0.099870 0.575269 0.090 Uiso 1 1 calc R U . . .
N1_2 N 0.6845(6) -0.0983(10) 0.6086(13) 0.094(5) Uani 1 1 d G U . . .
C2_2 C 0.6931(7) -0.1173(7) 0.5989(13) 0.096(6) Uani 1 1 d G U . . .
H2_2 H 0.679642 -0.135839 0.592085 0.115 Uiso 1 1 calc R U . . .
C3_2 C 0.7212(7) -0.1090(6) 0.5990(13) 0.092(6) Uani 1 1 d DG U . . .
H3_2 H 0.727055 -0.121910 0.592411 0.110 Uiso 1 1 calc R U . . .
C4_2 C 0.7408(6) -0.0818(7) 0.6090(13) 0.088(6) Uani 1 1 d G U . . .
C5_2 C 0.7323(7) -0.0629(7) 0.6187(13) 0.090(6) Uani 1 1 d DG U . . .
H5_2 H 0.745713 -0.044299 0.625431 0.108 Uiso 1 1 calc R U . . .
C6_2 C 0.7041(8) -0.0712(9) 0.6185(13) 0.092(6) Uani 1 1 d G U . . .
H6_2 H 0.698300 -0.058228 0.625106 0.110 Uiso 1 1 calc R U . . .
C7_2 C 0.7694(5) -0.0716(8) 0.5963(10) 0.084(5) Uani 1 1 d DG U . . .
N8_2 N 0.7775(7) -0.0898(6) 0.6116(9) 0.081(5) Uani 1 1 d DG U . . .
C9_2 C 0.8056(9) -0.0815(7) 0.6143(10) 0.079(5) Uani 1 1 d G U . . .
N10_2 N 0.8256(6) -0.0551(8) 0.6018(11) 0.077(5) Uani 1 1 d G U . . .
C11_2 C 0.8175(7) -0.0370(6) 0.5866(10) 0.078(5) Uani 1 1 d DG U . . .
N12_2 N 0.7894(8) -0.0453(7) 0.5838(10) 0.077(6) Uani 1 1 d DG U . . .
N13_2 N 0.8724(7) 0.0397(6) 0.5392(10) 0.071(5) Uani 1 1 d G U . . .
C14_2 C 0.8442(7) 0.0307(7) 0.5415(10) 0.074(6) Uani 1 1 d G U . . .
H14_2 H 0.837050 0.041530 0.530142 0.089 Uiso 1 1 calc R U . . .
C15_2 C 0.8263(6) 0.0059(7) 0.5603(11) 0.074(6) Uani 1 1 d DG U . . .
H15_2 H 0.806928 -0.000232 0.561832 0.088 Uiso 1 1 calc R U . . .
C16_2 C 0.8367(6) -0.0099(6) 0.5769(10) 0.075(5) Uani 1 1 d G U . . .
C17_2 C 0.8650(6) -0.0009(7) 0.5747(10) 0.073(6) Uani 1 1 d DG U . . .
H17_2 H 0.872057 -0.011687 0.586000 0.088 Uiso 1 1 calc R U . . .
C18_2 C 0.8828(5) 0.0239(8) 0.5558(11) 0.073(6) Uani 1 1 d G U . . .
H18_2 H 0.902180 0.030075 0.554311 0.088 Uiso 1 1 calc R U . . .
N19_2 N 0.8368(7) -0.1311(7) 0.6423(10) 0.079(6) Uani 1 1 d G U . . .
C20_2 C 0.8083(6) -0.1420(7) 0.6383(11) 0.082(6) Uani 1 1 d DG U . . .
H20_2 H 0.795860 -0.161166 0.643435 0.098 Uiso 1 1 calc R U . . .
C21_2 C 0.7979(7) -0.1249(10) 0.6267(11) 0.080(6) Uani 1 1 d G U . . .
H21_2 H 0.778406 -0.132390 0.623954 0.096 Uiso 1 1 calc R U . . .
C22_2 C 0.8161(10) -0.0969(10) 0.6192(12) 0.080(5) Uani 1 1 d G U . . .
C23_2 C 0.8446(9) -0.0859(7) 0.6232(12) 0.080(6) Uani 1 1 d G U . . .
H23_2 H 0.857072 -0.066786 0.618033 0.096 Uiso 1 1 calc R U . . .
C24_2 C 0.8550(6) -0.1030(7) 0.6348(11) 0.081(6) Uani 1 1 d DG U . . .
H24_2 H 0.874526 -0.095562 0.637514 0.097 Uiso 1 1 calc R U . . .
C25_2 C 0.8475(11) -0.1471(10) 0.6618(13) 0.086(6) Uani 1 1 d D U . . .
H25A_2 H 0.867830 -0.134962 0.665449 0.103 Uiso 1 1 calc R U . . .
H25B_2 H 0.844727 -0.162551 0.644420 0.103 Uiso 1 1 calc R U . . .
C26_2 C 0.8346(8) -0.1594(7) 0.7007(10) 0.085(7) Uani 1 1 d DG U . . .
C27_2 C 0.8164(8) -0.1878(7) 0.7051(11) 0.085(8) Uani 1 1 d DG U . . .
H27_2 H 0.813604 -0.200166 0.684225 0.102 Uiso 1 1 calc R U . . .
C28_2 C 0.8023(7) -0.1981(7) 0.7399(13) 0.087(7) Uani 1 1 d G U . . .
H28_2 H 0.789853 -0.217541 0.742846 0.104 Uiso 1 1 calc R U . . .
C29_2 C 0.8064(8) -0.1800(10) 0.7704(10) 0.085(7) Uani 1 1 d G U . . .
C30_2 C 0.8246(9) -0.1516(9) 0.7660(10) 0.079(8) Uani 1 1 d G U . . .
H30_2 H 0.827456 -0.139273 0.786841 0.095 Uiso 1 1 calc R U . . .
C31_2 C 0.8388(8) -0.1413(7) 0.7312(12) 0.083(7) Uani 1 1 d DG U . . .
H31_2 H 0.851208 -0.121897 0.728220 0.100 Uiso 1 1 calc R U . . .
C32_2 C 0.7895(13) -0.1911(15) 0.807(2) 0.085(6) Uani 1 1 d . U . . .
H32A_2 H 0.777623 -0.211588 0.805688 0.102 Uiso 1 1 calc R U . . .
H32B_2 H 0.801890 -0.186211 0.829845 0.102 Uiso 1 1 calc R U . . .
N33_2 N 0.7720(7) -0.1775(8) 0.8094(13) 0.084(6) Uani 1 1 d G U . . .
C34_2 C 0.7736(7) -0.1625(9) 0.8425(11) 0.085(6) Uani 1 1 d G U . . .
H34_2 H 0.784406 -0.162161 0.864045 0.102 Uiso 1 1 calc R U . . .
C35_2 C 0.7592(9) -0.1479(8) 0.8441(11) 0.085(6) Uani 1 1 d G U . . .
H35_2 H 0.760288 -0.137577 0.866655 0.102 Uiso 1 1 calc R U . . .
C36_2 C 0.7434(8) -0.1483(8) 0.8125(14) 0.083(5) Uani 1 1 d G U . . .
C37_2 C 0.7418(8) -0.1634(9) 0.7795(11) 0.083(6) Uani 1 1 d G U . . .
H37_2 H 0.730998 -0.163687 0.757920 0.100 Uiso 1 1 calc R U . . .
C38_2 C 0.7562(8) -0.1780(8) 0.7779(10) 0.084(6) Uani 1 1 d G U . . .
H38_2 H 0.755118 -0.188270 0.755309 0.101 Uiso 1 1 calc R U . . .
C39_2 C 0.7316(7) -0.1312(8) 0.8156(13) 0.084(5) Uani 1 1 d G U . . .
N40_2 N 0.7312(8) -0.1161(9) 0.8476(9) 0.087(5) Uani 1 1 d G U . . .
C41_2 C 0.7183(8) -0.1001(8) 0.8450(11) 0.089(5) Uani 1 1 d G U . . .
N42_2 N 0.7059(8) -0.0992(8) 0.8105(13) 0.089(6) Uani 1 1 d G U . . .
C43_2 C 0.7063(8) -0.1143(9) 0.7785(10) 0.084(5) Uani 1 1 d G U . . .
N44_2 N 0.7192(8) -0.1303(8) 0.7811(10) 0.084(5) Uani 1 1 d G U . . .
N45_2 N 0.7138(8) -0.0616(9) 0.9432(12) 0.106(6) Uani 1 1 d G U . . .
C46_2 C 0.7229(8) -0.0809(10) 0.9465(11) 0.106(6) Uani 1 1 d G U . . .
H46_2 H 0.727293 -0.085137 0.971216 0.127 Uiso 1 1 calc R U . . .
C47_2 C 0.7254(8) -0.0939(8) 0.9135(16) 0.098(6) Uani 1 1 d G U . . .
H47_2 H 0.731515 -0.107028 0.915680 0.118 Uiso 1 1 calc R U . . .
C48_2 C 0.7189(9) -0.0876(9) 0.8773(12) 0.095(6) Uani 1 1 d G U . . .
C49_2 C 0.7098(9) -0.0684(10) 0.8740(11) 0.096(6) Uani 1 1 d G U . . .
H49_2 H 0.705407 -0.064141 0.849279 0.115 Uiso 1 1 calc R U . . .
C50_2 C 0.7073(8) -0.0554(8) 0.9070(15) 0.103(6) Uani 1 1 d G U . . .
H50_2 H 0.701186 -0.042248 0.904814 0.124 Uiso 1 1 calc R U . . .
N51_2 N 0.6604(8) -0.1146(10) 0.6807(10) 0.092(6) Uani 1 1 d G U . . .
C52_2 C 0.6638(8) -0.1376(8) 0.6865(12) 0.093(7) Uani 1 1 d G U . . .
H52_2 H 0.655320 -0.152936 0.669149 0.111 Uiso 1 1 calc R U . . .
C53_2 C 0.6794(9) -0.1381(8) 0.7176(13) 0.092(7) Uani 1 1 d G U . . .
H53_2 H 0.681716 -0.153767 0.721571 0.111 Uiso 1 1 calc R U . . .
C54_2 C 0.6918(8) -0.1156(10) 0.7429(11) 0.089(6) Uani 1 1 d G U . . .
C55_2 C 0.6885(8) -0.0926(8) 0.7371(12) 0.091(6) Uani 1 1 d G U . . .
H55_2 H 0.696930 -0.077214 0.754445 0.109 Uiso 1 1 calc R U . . .
C56_2 C 0.6728(9) -0.0921(8) 0.7060(13) 0.094(7) Uani 1 1 d G U . . .
H56_2 H 0.670534 -0.076382 0.702023 0.112 Uiso 1 1 calc R U . . .
N1_3 N 0.5747(7) 0.1556(8) 0.7020(7) 0.063(5) Uani 1 1 d G U . . .
C2_3 C 0.5632(7) 0.1310(6) 0.6807(10) 0.065(6) Uani 1 1 d G U . . .
H2_3 H 0.558489 0.113916 0.693158 0.078 Uiso 1 1 calc R U . . .
C3_3 C 0.5584(8) 0.1314(6) 0.6412(10) 0.060(6) Uani 1 1 d G U . . .
H3_3 H 0.550564 0.114632 0.626594 0.072 Uiso 1 1 calc R U . . .
C4_3 C 0.5653(8) 0.1564(8) 0.6229(7) 0.061(6) Uani 1 1 d G U . . .
C5_3 C 0.5768(8) 0.1810(6) 0.6443(10) 0.061(6) Uani 1 1 d G U . . .
H5_3 H 0.581474 0.198042 0.631809 0.073 Uiso 1 1 calc R U . . .
C6_3 C 0.5815(7) 0.1805(6) 0.6838(10) 0.063(6) Uani 1 1 d G U . . .
H6_3 H 0.589398 0.197326 0.698374 0.075 Uiso 1 1 calc R U . . .
N13_3 N 0.5838(7) 0.2631(6) 0.4763(10) 0.062(6) Uani 1 1 d DG U . . .
C14_3 C 0.5912(7) 0.2640(6) 0.5150(10) 0.063(6) Uani 1 1 d G U . . .
H14_3 H 0.600083 0.281246 0.528465 0.075 Uiso 1 1 calc R U . . .
C15_3 C 0.5855(8) 0.2396(8) 0.5341(8) 0.061(6) Uani 1 1 d G U . . .
H15_3 H 0.590510 0.240208 0.560582 0.073 Uiso 1 1 calc R U . . .
C16_3 C 0.5724(8) 0.2143(6) 0.5145(10) 0.063(5) Uani 1 1 d G U . . .
C17_3 C 0.5650(7) 0.2134(6) 0.4757(11) 0.062(6) Uani 1 1 d G U . . .
H17_3 H 0.556076 0.196147 0.462282 0.074 Uiso 1 1 calc R U . . .
C18_3 C 0.5707(7) 0.2378(7) 0.4566(8) 0.064(6) Uani 1 1 d G U . . .
H18_3 H 0.565649 0.237185 0.430164 0.077 Uiso 1 1 calc R U . . .
N19_3 N 0.4938(6) 0.0680(4) 0.4525(8) 0.100(6) Uani 1 1 d DG U . . .
C20_3 C 0.4979(7) 0.0942(6) 0.4436(8) 0.091(7) Uani 1 1 d G U . . .
H20_3 H 0.490361 0.096936 0.420299 0.109 Uiso 1 1 calc R U . . .
C21_3 C 0.5129(8) 0.1164(4) 0.4687(11) 0.083(6) Uani 1 1 d G U . . .
H21_3 H 0.515655 0.134302 0.462572 0.099 Uiso 1 1 calc R U . . .
C22_3 C 0.5239(8) 0.1124(6) 0.5027(10) 0.077(6) Uani 1 1 d G U . . .
C23_3 C 0.5198(8) 0.0861(8) 0.5116(8) 0.085(7) Uani 1 1 d G U . . .
H23_3 H 0.527360 0.083389 0.534860 0.102 Uiso 1 1 calc R U . . .
C24_3 C 0.5048(8) 0.0639(5) 0.4865(9) 0.088(7) Uani 1 1 d G U . . .
H24_3 H 0.502066 0.046022 0.492587 0.106 Uiso 1 1 calc R U . . .
C7_3 C 0.5631(7) 0.1590(7) 0.5829(7) 0.061(5) Uani 1 1 d G U . . .
N8_3 N 0.5457(7) 0.1349(5) 0.5622(10) 0.065(6) Uani 1 1 d G U . . .
C9_3 C 0.5372(6) 0.1368(6) 0.5250(10) 0.067(6) Uani 1 1 d G U . . .
N10_3 N 0.5460(6) 0.1627(8) 0.5085(7) 0.068(6) Uani 1 1 d DG U . . .
C11_3 C 0.5633(6) 0.1868(5) 0.5292(10) 0.063(6) Uani 1 1 d G U . . .
N12_3 N 0.5719(6) 0.1849(6) 0.5664(10) 0.059(5) Uani 1 1 d G U . . .
C26_3 C 0.6053(8) 0.2903(8) 0.4187(9) 0.066(6) Uani 1 1 d G U . . .
C27_3 C 0.5901(6) 0.2866(8) 0.3849(12) 0.066(6) Uani 1 1 d G U . . .
H27_3 H 0.572833 0.286217 0.385914 0.079 Uiso 1 1 calc R U . . .
C28_3 C 0.6004(8) 0.2835(8) 0.3495(9) 0.070(6) Uani 1 1 d G U . . .
H28_3 H 0.590029 0.280999 0.326402 0.084 Uiso 1 1 calc R U . . .
C29_3 C 0.6257(8) 0.2841(8) 0.3480(9) 0.068(6) Uani 1 1 d G U . . .
C30_3 C 0.6408(6) 0.2877(7) 0.3818(12) 0.068(6) Uani 1 1 d G U . . .
H30_3 H 0.658136 0.288140 0.380750 0.081 Uiso 1 1 calc R U . . .
C31_3 C 0.6306(8) 0.2908(8) 0.4171(9) 0.065(6) Uani 1 1 d G U . . .
H31_3 H 0.640940 0.293359 0.440262 0.078 Uiso 1 1 calc R U . . .
N33_3 N 0.6306(9) 0.2455(6) 0.3146(11) 0.082(5) Uani 1 1 d G U . . .
C34_3 C 0.6475(7) 0.2372(8) 0.2962(11) 0.087(6) Uani 1 1 d G U . . .
H34_3 H 0.663068 0.250257 0.281335 0.104 Uiso 1 1 calc R U . . .
C35_3 C 0.6418(9) 0.2099(9) 0.2995(12) 0.088(6) Uani 1 1 d G U . . .
H35_3 H 0.653415 0.204203 0.286904 0.105 Uiso 1 1 calc R U . . .
C36_3 C 0.6191(10) 0.1908(7) 0.3212(13) 0.089(5) Uani 1 1 d G U . . .
C37_3 C 0.6021(8) 0.1991(8) 0.3396(11) 0.087(6) Uani 1 1 d G U . . .
H37_3 H 0.586610 0.186059 0.354477 0.105 Uiso 1 1 calc R U . . .
C38_3 C 0.6079(8) 0.2264(9) 0.3363(11) 0.086(6) Uani 1 1 d G U . . .
H38_3 H 0.596263 0.232114 0.348908 0.103 Uiso 1 1 calc R U . . .
C39_3 C 0.6135(10) 0.1630(7) 0.3229(12) 0.093(5) Uani 1 1 d G U . . .
N40_3 N 0.5884(8) 0.1418(10) 0.3374(11) 0.097(5) Uani 1 1 d G U . . .
C41_3 C 0.5844(8) 0.1151(8) 0.3418(11) 0.100(5) Uani 1 1 d G U . . .
N42_3 N 0.6055(10) 0.1096(7) 0.3316(12) 0.102(6) Uani 1 1 d G U . . .
C43_3 C 0.6306(8) 0.1309(10) 0.3171(12) 0.101(5) Uani 1 1 d G U . . .
N44_3 N 0.6346(7) 0.1576(8) 0.3127(11) 0.097(5) Uani 1 1 d G U . . .
N51_3 N 0.5055(5) 0.0558(6) 0.3807(8) 0.118(6) Uani 1 1 d DG U . . .
C52_3 C 0.5084(6) 0.0788(8) 0.3604(10) 0.108(7) Uani 1 1 d G U . . .
H52_3 H 0.492384 0.079996 0.353928 0.129 Uiso 1 1 calc R U . . .
C53_3 C 0.5347(9) 0.0999(6) 0.3497(11) 0.103(6) Uani 1 1 d G U . . .
H53_3 H 0.536700 0.115646 0.335828 0.123 Uiso 1 1 calc R U . . .
C54_3 C 0.5581(5) 0.0981(7) 0.3592(12) 0.102(6) Uani 1 1 d G U . . .
C55_3 C 0.5552(6) 0.0752(9) 0.3795(13) 0.109(7) Uani 1 1 d G U . . .
H55_3 H 0.571205 0.073918 0.386011 0.130 Uiso 1 1 calc R U . . .
C56_3 C 0.5289(8) 0.0540(7) 0.3903(9) 0.120(7) Uani 1 1 d G U . . .
H56_3 H 0.526888 0.038268 0.404112 0.144 Uiso 1 1 calc R U . . .
C25_3 C 0.5923(12) 0.2900(9) 0.4555(16) 0.064(6) Uani 1 1 d D U . . .
H25A_3 H 0.575764 0.291931 0.450808 0.076 Uiso 1 1 calc R U . . .
H25B_3 H 0.605605 0.305818 0.471656 0.076 Uiso 1 1 calc R U . . .
N1_4 N 0.5972(7) -0.2493(8) 0.4688(11) 0.084(5) Uani 1 1 d G U . . .
C2_4 C 0.5709(9) -0.2695(8) 0.4563(10) 0.085(7) Uani 1 1 d G U . . .
H2_4 H 0.568998 -0.280501 0.434139 0.102 Uiso 1 1 calc R U . . .
C3_4 C 0.5473(6) -0.2736(7) 0.4762(12) 0.085(7) Uani 1 1 d G U . . .
H3_4 H 0.529331 -0.287350 0.467606 0.101 Uiso 1 1 calc R U . . .
C4_4 C 0.5500(7) -0.2575(9) 0.5086(12) 0.084(6) Uani 1 1 d DG U . . .
C5_4 C 0.5763(9) -0.2373(8) 0.5211(10) 0.086(6) Uani 1 1 d G U . . .
H5_4 H 0.578211 -0.226322 0.543293 0.103 Uiso 1 1 calc R U . . .
C6_4 C 0.5999(6) -0.2333(7) 0.5013(12) 0.088(7) Uani 1 1 d G U . . .
H6_4 H 0.617878 -0.219473 0.509827 0.105 Uiso 1 1 calc R U . . .
C7_4 C 0.5275(6) -0.2609(6) 0.5706(10) 0.085(6) Uani 1 1 d G U . . .
N8_4 N 0.5273(6) -0.2701(7) 0.5330(10) 0.088(6) Uani 1 1 d DG U . . .
C9_4 C 0.5025(8) -0.2834(6) 0.5122(7) 0.079(7) Uani 1 1 d G U . . .
N10_4 N 0.4779(5) -0.2875(5) 0.5290(10) 0.079(6) Uani 1 1 d DG U . . .
C11_4 C 0.4782(6) -0.2783(7) 0.5665(10) 0.079(7) Uani 1 1 d G U . . .
N12_4 N 0.5029(8) -0.2650(7) 0.5874(8) 0.084(6) Uani 1 1 d G U . . .
N13_4 N 0.5064(9) -0.2471(8) 0.7061(8) 0.095(6) Uani 1 1 d G U . . .
C14_4 C 0.5310(7) -0.2356(8) 0.6848(11) 0.093(8) Uani 1 1 d G U . . .
H14_4 H 0.548202 -0.223373 0.696958 0.111 Uiso 1 1 calc R U . . .
C15_4 C 0.5303(7) -0.2421(9) 0.6457(11) 0.090(7) Uani 1 1 d G U . . .
H15_4 H 0.547083 -0.234296 0.631163 0.108 Uiso 1 1 calc R U . . .
C16_4 C 0.5050(9) -0.2601(9) 0.6279(8) 0.084(6) Uani 1 1 d G U . . .
C17_4 C 0.4805(7) -0.2715(8) 0.6492(11) 0.087(7) Uani 1 1 d G U . . .
H17_4 H 0.463226 -0.283813 0.637020 0.105 Uiso 1 1 calc R U . . .
C18_4 C 0.4811(7) -0.2651(8) 0.6883(11) 0.090(8) Uani 1 1 d G U . . .
H18_4 H 0.464343 -0.272890 0.702815 0.108 Uiso 1 1 calc R U . . .
N19_4 N 0.4026(10) -0.3448(9) 0.4765(14) 0.063(7) Uani 1 1 d . U . . .
C20_4 C 0.4275(12) -0.3329(12) 0.4552(17) 0.066(8) Uani 1 1 d . U . . .
H20_4 H 0.427727 -0.336874 0.428414 0.079 Uiso 1 1 calc R U . . .
C21_4 C 0.4521(13) -0.3148(12) 0.4751(17) 0.066(7) Uani 1 1 d . U . . .
H21_4 H 0.469730 -0.306500 0.462658 0.080 Uiso 1 1 calc R U . . .
C22_4 C 0.4496(12) -0.3098(12) 0.5110(17) 0.068(7) Uani 1 1 d . U . . .
C23_4 C 0.4257(12) -0.3223(11) 0.5329(17) 0.061(7) Uani 1 1 d . U . . .
H23_4 H 0.425855 -0.319490 0.560075 0.074 Uiso 1 1 calc R U . . .
C24_4 C 0.4025(13) -0.3384(12) 0.5135(17) 0.065(8) Uani 1 1 d . U . . .
H24_4 H 0.385145 -0.345560 0.526612 0.079 Uiso 1 1 calc R U . . .
C25_4 C 0.3738(11) -0.3624(11) 0.4537(15) 0.057(7) Uani 1 1 d . U . . .
H25A_4 H 0.369448 -0.381956 0.451234 0.068 Uiso 1 1 calc R U . . .
H25B_4 H 0.358665 -0.362249 0.468698 0.068 Uiso 1 1 calc R U . . .
C26_4 C 0.3752(11) -0.3511(11) 0.4160(16) 0.057(6) Uani 1 1 d . U . . .
C27_4 C 0.3785(11) -0.3620(11) 0.3811(16) 0.057(7) Uani 1 1 d . U . . .
H27_4 H 0.378104 -0.379340 0.381676 0.069 Uiso 1 1 calc R U . . .
C28_4 C 0.3821(11) -0.3490(11) 0.3460(16) 0.058(6) Uani 1 1 d . U . . .
H28_4 H 0.382838 -0.357722 0.322679 0.069 Uiso 1 1 calc R U . . .
C29_4 C 0.3845(11) -0.3245(12) 0.3450(16) 0.057(6) Uani 1 1 d . U . . .
C30_4 C 0.3796(11) -0.3125(11) 0.3801(15) 0.057(6) Uani 1 1 d . U . . .
H30_4 H 0.378897 -0.295756 0.378539 0.069 Uiso 1 1 calc R U . . .
C31_4 C 0.3759(11) -0.3258(11) 0.4156(16) 0.058(6) Uani 1 1 d . U . . .
H31_4 H 0.373942 -0.317755 0.438918 0.069 Uiso 1 1 calc R U . . .
C32_4 C 0.3938(12) -0.3087(11) 0.3072(15) 0.059(7) Uani 1 1 d . U . . .
H32A_4 H 0.380396 -0.302916 0.298747 0.071 Uiso 1 1 calc R U . . .
H32B_4 H 0.395087 -0.320537 0.286719 0.071 Uiso 1 1 calc R U . . .
N33_4 N 0.4227(10) -0.2829(9) 0.3147(13) 0.060(6) Uani 1 1 d . U . . .
C34_4 C 0.4328(13) -0.2539(12) 0.3014(16) 0.065(6) Uani 1 1 d . U . . .
H34_4 H 0.419850 -0.248568 0.292860 0.077 Uiso 1 1 calc R U . . .
C35_4 C 0.4589(13) -0.2359(13) 0.3014(17) 0.069(6) Uani 1 1 d . U . . .
H35_4 H 0.465275 -0.219750 0.285760 0.082 Uiso 1 1 calc R U . . .
C36_4 C 0.4788(13) -0.2390(12) 0.3237(17) 0.071(6) Uani 1 1 d . U . . .
C37_4 C 0.4694(13) -0.2677(12) 0.3368(16) 0.068(6) Uani 1 1 d . U . . .
H37_4 H 0.482671 -0.271729 0.347962 0.081 Uiso 1 1 calc R U . . .
C38_4 C 0.4423(12) -0.2887(12) 0.3334(16) 0.065(6) Uani 1 1 d . U . . .
H38_4 H 0.436565 -0.306727 0.343355 0.078 Uiso 1 1 calc R U . . .
C39_4 C 0.5055(6) -0.2199(7) 0.3270(11) 0.076(5) Uani 1 1 d G U . . .
N40_4 N 0.5133(7) -0.1924(8) 0.3189(11) 0.077(5) Uani 1 1 d G U . . .
C41_4 C 0.5405(8) -0.1714(6) 0.3254(11) 0.084(5) Uani 1 1 d G U . . .
N42_4 N 0.5600(6) -0.1779(7) 0.3399(11) 0.083(6) Uani 1 1 d G U . . .
C43_4 C 0.5522(7) -0.2054(9) 0.3480(11) 0.086(5) Uani 1 1 d G U . . .
N44_4 N 0.5249(8) -0.2264(6) 0.3416(11) 0.079(5) Uani 1 1 d G U . . .
N45_4 N 0.5659(12) -0.0916(11) 0.2901(16) 0.093(5) Uani 1 1 d . U . . .
C46_4 C 0.5432(14) -0.1131(13) 0.269(2) 0.090(7) Uani 1 1 d . U . . .
H46_4 H 0.534187 -0.109653 0.247609 0.108 Uiso 1 1 calc R U . . .
C47_4 C 0.5356(14) -0.1411(14) 0.283(2) 0.086(6) Uani 1 1 d . U . . .
H47_4 H 0.521203 -0.156917 0.269890 0.103 Uiso 1 1 calc R U . . .
C48_4 C 0.5482(14) -0.1447(14) 0.313(2) 0.085(6) Uani 1 1 d . U . . .
C49_4 C 0.5703(14) -0.1210(14) 0.334(2) 0.091(7) Uani 1 1 d . U . . .
H49_4 H 0.577815 -0.124719 0.356316 0.109 Uiso 1 1 calc R U . . .
C50_4 C 0.5800(14) -0.0955(14) 0.324(2) 0.094(7) Uani 1 1 d . U . . .
H50_4 H 0.595064 -0.080427 0.336668 0.112 Uiso 1 1 calc R U . . .
N51_4 N 0.6078(11) -0.2252(12) 0.3916(17) 0.092(5) Uani 1 1 d . U . . .
C52_4 C 0.5872(14) -0.2454(15) 0.366(2) 0.093(6) Uani 1 1 d . U . . .
H52_4 H 0.587475 -0.261448 0.357111 0.112 Uiso 1 1 calc R U . . .
C53_4 C 0.5655(14) -0.2384(15) 0.3551(19) 0.090(6) Uani 1 1 d . U . . .
H53_4 H 0.550049 -0.250480 0.339359 0.108 Uiso 1 1 calc R U . . .
C54_4 C 0.5688(14) -0.2142(15) 0.368(2) 0.090(6) Uani 1 1 d . U . . .
C55_4 C 0.5912(13) -0.1915(14) 0.3926(19) 0.089(6) Uani 1 1 d . U . . .
H55_4 H 0.592421 -0.174248 0.398830 0.107 Uiso 1 1 calc R U . . .
C56_4 C 0.6106(13) -0.2002(14) 0.405(2) 0.092(6) Uani 1 1 d . U . . .
H56_4 H 0.625404 -0.188770 0.421906 0.110 Uiso 1 1 calc R U . . .
N1_5 N 0.5576(7) 0.0044(7) 0.5848(9) 0.088(6) Uani 1 1 d G U . . .
C2_5 C 0.5709(6) -0.0054(8) 0.5607(12) 0.092(7) Uani 1 1 d G U . . .
H2_5 H 0.589031 -0.002033 0.567036 0.111 Uiso 1 1 calc R U . . .
C3_5 C 0.5578(9) -0.0201(8) 0.5272(11) 0.090(6) Uani 1 1 d G U . . .
H3_5 H 0.566838 -0.026821 0.510745 0.107 Uiso 1 1 calc R U . . .
C4_5 C 0.5313(9) -0.0250(8) 0.5179(10) 0.091(6) Uani 1 1 d G U . . .
C5_5 C 0.5180(6) -0.0152(9) 0.5421(13) 0.090(7) Uani 1 1 d G U . . .
H5_5 H 0.499884 -0.018558 0.535696 0.108 Uiso 1 1 calc R U . . .
C6_5 C 0.5312(7) -0.0005(8) 0.5755(11) 0.091(7) Uani 1 1 d G U . . .
H6_5 H 0.522076 0.006230 0.591986 0.109 Uiso 1 1 calc R U . . .
C7_5 C 0.5172(8) -0.0388(8) 0.4881(10) 0.089(6) Uani 1 1 d G U . . .
N8_5 N 0.5305(5) -0.0407(8) 0.4550(13) 0.090(6) Uani 1 1 d G U . . .
C9_5 C 0.5149(8) -0.0547(8) 0.4225(10) 0.088(6) Uani 1 1 d G U . . .
N10_5 N 0.4861(8) -0.0669(8) 0.4231(10) 0.086(6) Uani 1 1 d G U . . .
C11_5 C 0.4728(5) -0.0651(8) 0.4562(12) 0.088(6) Uani 1 1 d G U . . .
N12_5 N 0.4883(8) -0.0510(8) 0.4887(10) 0.088(6) Uani 1 1 d G U . . .
N13_5 N 0.5567(8) -0.0493(8) 0.3183(10) 0.088(5) Uani 1 1 d G U . . .
C14_5 C 0.5714(6) -0.0440(8) 0.3528(13) 0.088(7) Uani 1 1 d G U . . .
H14_5 H 0.590348 -0.039547 0.352418 0.105 Uiso 1 1 calc R U . . .
C15_5 C 0.5585(9) -0.0453(9) 0.3879(10) 0.088(7) Uani 1 1 d G U . . .
H15_5 H 0.568582 -0.041670 0.411507 0.106 Uiso 1 1 calc R U . . .
C16_5 C 0.5308(9) -0.0518(9) 0.3885(10) 0.086(6) Uani 1 1 d G U . . .
C17_5 C 0.5160(6) -0.0571(9) 0.3540(13) 0.088(6) Uani 1 1 d G U . . .
H17_5 H 0.497121 -0.061528 0.354345 0.105 Uiso 1 1 calc R U . . .
C18_5 C 0.5290(8) -0.0558(8) 0.3189(10) 0.089(6) Uani 1 1 d G U . . .
H18_5 H 0.518886 -0.059406 0.295256 0.107 Uiso 1 1 calc R U . . .
N19_5 N 0.3861(6) -0.1057(8) 0.4540(13) 0.090(7) Uani 1 1 d DG U . . .
C20_5 C 0.4007(8) -0.1054(8) 0.4210(10) 0.092(7) Uani 1 1 d G U . . .
H20_5 H 0.390871 -0.114304 0.397915 0.110 Uiso 1 1 calc R U . . .
C21_5 C 0.4296(8) -0.0922(9) 0.4218(11) 0.091(7) Uani 1 1 d G U . . .
H21_5 H 0.439541 -0.092048 0.399278 0.109 Uiso 1 1 calc R U . . .
C22_5 C 0.4439(6) -0.0792(8) 0.4556(14) 0.088(6) Uani 1 1 d G U . . .
C23_5 C 0.4293(8) -0.0795(8) 0.4885(11) 0.089(7) Uani 1 1 d G U . . .
H23_5 H 0.439150 -0.070635 0.511615 0.106 Uiso 1 1 calc R U . . .
C24_5 C 0.4004(8) -0.0927(9) 0.4877(10) 0.091(7) Uani 1 1 d G U . . .
H24_5 H 0.390480 -0.092892 0.510253 0.110 Uiso 1 1 calc R U . . .
C25_5 C 0.3557(8) -0.1236(13) 0.454(2) 0.092(7) Uani 1 1 d D U . . .
H25A_5 H 0.349992 -0.136880 0.431912 0.110 Uiso 1 1 calc R U . . .
H25B_5 H 0.346854 -0.111988 0.450202 0.110 Uiso 1 1 calc R U . . .
C26_5 C 0.3455(9) -0.1403(9) 0.4941(10) 0.095(7) Uani 1 1 d G U . . .
C27_5 C 0.3558(8) -0.1584(9) 0.4997(12) 0.094(7) Uani 1 1 d G U . . .
H27_5 H 0.365856 -0.161120 0.479548 0.113 Uiso 1 1 calc R U . . .
C28_5 C 0.3513(9) -0.1723(8) 0.5348(14) 0.096(7) Uani 1 1 d G U . . .
H28_5 H 0.358382 -0.184650 0.538602 0.115 Uiso 1 1 calc R U . . .
C29_5 C 0.3366(9) -0.1683(9) 0.5642(10) 0.095(7) Uani 1 1 d DG U . . .
C30_5 C 0.3263(8) -0.1502(9) 0.5586(12) 0.097(7) Uani 1 1 d G U . . .
H30_5 H 0.316262 -0.147476 0.578755 0.117 Uiso 1 1 calc R U . . .
C31_5 C 0.3308(9) -0.1363(8) 0.5235(14) 0.095(7) Uani 1 1 d G U . . .
H31_5 H 0.323735 -0.123946 0.519701 0.114 Uiso 1 1 calc R U . . .
C32_5 C 0.6345(14) 0.2744(13) 0.3138(18) 0.082(5) Uani 1 1 d . U . . .
H32A_5 H 0.654528 0.287664 0.309437 0.099 Uiso 1 1 calc R U . . .
H32B_5 H 0.624311 0.275654 0.291030 0.099 Uiso 1 1 calc R U . . .
N33_5 N 0.3625(7) -0.1704(9) 0.6190(11) 0.094(6) Uani 1 1 d G U . . .
C34_5 C 0.3723(9) -0.1880(7) 0.6305(11) 0.092(7) Uani 1 1 d G U . . .
H34_5 H 0.359953 -0.207495 0.631586 0.110 Uiso 1 1 calc R U . . .
C35_5 C 0.4002(10) -0.1770(10) 0.6403(11) 0.092(7) Uani 1 1 d G U . . .
H35_5 H 0.406871 -0.188980 0.648160 0.111 Uiso 1 1 calc R U . . .
C36_5 C 0.4183(7) -0.1484(10) 0.6387(11) 0.092(6) Uani 1 1 d G U . . .
C37_5 C 0.4085(9) -0.1308(7) 0.6272(11) 0.092(6) Uani 1 1 d G U . . .
H37_5 H 0.420833 -0.111212 0.626110 0.111 Uiso 1 1 calc R U . . .
C38_5 C 0.3806(9) -0.1418(9) 0.6174(11) 0.093(7) Uani 1 1 d G U . . .
H38_5 H 0.373914 -0.129727 0.609536 0.112 Uiso 1 1 calc R U . . .
C39_5 C 0.4434(6) -0.1379(9) 0.6555(11) 0.092(6) Uani 1 1 d G U . . .
N40_5 N 0.4637(9) -0.1099(8) 0.6567(11) 0.091(6) Uani 1 1 d G U . . .
C41_5 C 0.4907(8) -0.1020(6) 0.6681(11) 0.091(6) Uani 1 1 d G U . . .
N42_5 N 0.4974(6) -0.1222(9) 0.6783(11) 0.091(6) Uani 1 1 d G U . . .
C43_5 C 0.4772(9) -0.1502(8) 0.6771(11) 0.093(6) Uani 1 1 d G U . . .
N44_5 N 0.4502(8) -0.1581(6) 0.6657(11) 0.093(6) Uani 1 1 d G U . . .
N51_5 N 0.5491(7) -0.0210(6) 0.6561(11) 0.094(6) Uani 1 1 d G U . . .
C52_5 C 0.5576(6) -0.0408(8) 0.6545(11) 0.091(7) Uani 1 1 d G U . . .
H52_5 H 0.576574 -0.035066 0.649678 0.109 Uiso 1 1 calc R U . . .
C53_5 C 0.5383(10) -0.0688(7) 0.6599(12) 0.092(6) Uani 1 1 d G U . . .
H53_5 H 0.544091 -0.082268 0.658740 0.110 Uiso 1 1 calc R U . . .
C54_5 C 0.5105(8) -0.0771(6) 0.6669(11) 0.091(6) Uani 1 1 d G U . . .
C55_5 C 0.5020(6) -0.0574(9) 0.6685(12) 0.093(6) Uani 1 1 d G U . . .
H55_5 H 0.483049 -0.063107 0.673312 0.111 Uiso 1 1 calc R U . . .
C56_5 C 0.5213(8) -0.0294(8) 0.6631(12) 0.092(7) Uani 1 1 d G U . . .
H56_5 H 0.515532 -0.015905 0.664251 0.111 Uiso 1 1 calc R U . . .
N43_5 N 0.4973(9) -0.2081(7) 0.7266(10) 0.097(5) Uani 1 1 d DG U . . .
C44_5 C 0.4706(8) -0.2143(6) 0.7157(11) 0.097(6) Uani 1 1 d G U . . .
H44_5 H 0.455470 -0.232813 0.718430 0.116 Uiso 1 1 calc R U . . .
C45_5 C 0.4661(7) -0.1936(9) 0.7009(12) 0.096(6) Uani 1 1 d G U . . .
H45_5 H 0.447932 -0.197893 0.693401 0.115 Uiso 1 1 calc R U . . .
C46_5 C 0.4883(10) -0.1666(7) 0.6969(12) 0.096(6) Uani 1 1 d G U . . .
C47_5 C 0.5150(8) -0.1603(6) 0.7078(12) 0.097(7) Uani 1 1 d G U . . .
H47_5 H 0.530139 -0.141846 0.705119 0.116 Uiso 1 1 calc R U . . .
C48_5 C 0.5195(7) -0.1811(9) 0.7227(11) 0.096(7) Uani 1 1 d G U . . .
H48_5 H 0.537678 -0.176765 0.730149 0.115 Uiso 1 1 calc R U . . .
N45_6 N 0.6857(8) 0.1066(8) 0.2783(12) 0.111(5) Uani 1 1 d G U . . .
C46_6 C 0.6681(9) 0.0930(7) 0.3094(12) 0.110(6) Uani 1 1 d G U . . .
H46_6 H 0.668024 0.077373 0.320924 0.132 Uiso 1 1 calc R U . . .
C47_6 C 0.6507(8) 0.1022(10) 0.3236(11) 0.107(5) Uani 1 1 d G U . . .
H47_6 H 0.638681 0.092945 0.344844 0.128 Uiso 1 1 calc R U . . .
C48_6 C 0.6509(9) 0.1251(10) 0.3067(14) 0.105(5) Uani 1 1 d G U . . .
C49_6 C 0.6685(10) 0.1387(8) 0.2757(14) 0.106(5) Uani 1 1 d G U . . .
H49_6 H 0.668593 0.154339 0.264143 0.127 Uiso 1 1 calc R U . . .
C50_6 C 0.6859(9) 0.1295(8) 0.2615(11) 0.109(5) Uani 1 1 d G U . . .
H50_6 H 0.697937 0.138767 0.240222 0.130 Uiso 1 1 calc R U . . .
C32_6 C 0.3334(13) -0.1794(13) 0.6016(12) 0.098(7) Uani 1 1 d D U . . .
H32A_6 H 0.322236 -0.200026 0.600434 0.117 Uiso 1 1 calc R U . . .
H32B_6 H 0.323431 -0.172720 0.618296 0.117 Uiso 1 1 calc R U . . .
N1_7 N 0.7841(9) 0.1128(8) 0.5809(9) 0.078(5) Uani 1 1 d G U . . .
C2_7 C 0.8058(7) 0.1398(8) 0.5752(10) 0.080(7) Uani 1 1 d G U . . .
H2_7 H 0.819980 0.148528 0.594232 0.096 Uiso 1 1 calc R U . . .
C3_7 C 0.8067(8) 0.1542(6) 0.5417(12) 0.081(6) Uani 1 1 d G U . . .
H3_7 H 0.821485 0.172741 0.537833 0.098 Uiso 1 1 calc R U . . .
C4_7 C 0.7859(9) 0.1415(9) 0.5139(9) 0.082(6) Uani 1 1 d G U . . .
C5_7 C 0.7642(8) 0.1144(9) 0.5195(11) 0.085(6) Uani 1 1 d G U . . .
H5_7 H 0.750052 0.105745 0.500472 0.102 Uiso 1 1 calc R U . . .
C6_7 C 0.7634(7) 0.1000(6) 0.5530(13) 0.084(7) Uani 1 1 d G U . . .
H6_7 H 0.748547 0.081531 0.556871 0.101 Uiso 1 1 calc R U . . .
C7_7 C 0.7697(7) 0.1421(6) 0.4517(13) 0.081(6) Uani 1 1 d G U . . .
N8_7 N 0.7837(8) 0.1554(8) 0.4856(10) 0.082(5) Uani 1 1 d G U . . .
C9_7 C 0.7989(7) 0.1843(9) 0.4872(9) 0.075(6) Uani 1 1 d G U . . .
N10_7 N 0.8000(7) 0.2000(6) 0.4550(12) 0.083(5) Uani 1 1 d G U . . .
C11_7 C 0.7861(8) 0.1867(8) 0.4212(10) 0.082(6) Uani 1 1 d G U . . .
N12_7 N 0.7709(7) 0.1578(9) 0.4195(10) 0.090(6) Uani 1 1 d G U . . .
N13_7 N 0.7377(8) 0.1208(8) 0.3122(10) 0.107(6) Uani 1 1 d G U . . .
C14_7 C 0.7286(8) 0.1045(7) 0.3455(13) 0.103(8) Uani 1 1 d G U . . .
H14_7 H 0.714149 0.085643 0.343922 0.124 Uiso 1 1 calc R U . . .
C15_7 C 0.7406(10) 0.1159(10) 0.3812(10) 0.102(7) Uani 1 1 d G U . . .
H15_7 H 0.734374 0.104785 0.403960 0.123 Uiso 1 1 calc R U . . .
C16_7 C 0.7617(9) 0.1436(11) 0.3835(11) 0.095(6) Uani 1 1 d G U . . .
C17_7 C 0.7708(8) 0.1598(7) 0.3502(15) 0.106(7) Uani 1 1 d G U . . .
H17_7 H 0.785246 0.178735 0.351832 0.127 Uiso 1 1 calc R U . . .
C18_7 C 0.7588(9) 0.1485(8) 0.3146(11) 0.105(8) Uani 1 1 d G U . . .
H18_7 H 0.765022 0.159593 0.291793 0.126 Uiso 1 1 calc R U . . .
N19_7 N 0.8457(7) 0.2874(6) 0.4572(12) 0.0731(17) Uani 1 1 d G U . . .
C20_7 C 0.8482(7) 0.2715(8) 0.4865(10) 0.081(6) Uani 1 1 d G U . . .
H20_7 H 0.860095 0.280439 0.507948 0.097 Uiso 1 1 calc R U . . .
C21_7 C 0.8332(9) 0.2426(8) 0.4843(11) 0.079(6) Uani 1 1 d G U . . .
H21_7 H 0.834895 0.231779 0.504354 0.095 Uiso 1 1 calc R U . . .
C22_7 C 0.8157(8) 0.2296(6) 0.4529(13) 0.080(5) Uani 1 1 d G U . . .
C23_7 C 0.8132(8) 0.2454(8) 0.4237(10) 0.081(6) Uani 1 1 d G U . . .
H23_7 H 0.801285 0.236524 0.402205 0.097 Uiso 1 1 calc R U . . .
C24_7 C 0.8282(8) 0.2743(8) 0.4258(10) 0.079(6) Uani 1 1 d G U . . .
H24_7 H 0.826485 0.285185 0.405798 0.095 Uiso 1 1 calc R U . . .
C25_7 C 0.8593(14) 0.3173(13) 0.4598(18) 0.078(5) Uani 1 1 d . U . . .
H25A_7 H 0.855056 0.324866 0.436430 0.094 Uiso 1 1 calc R U . . .
H25B_7 H 0.879772 0.325162 0.461044 0.094 Uiso 1 1 calc R U . . .
C26_7 C 0.8484(9) 0.3261(8) 0.4991(9) 0.072(6) Uani 1 1 d G U . . .
C27_7 C 0.8652(6) 0.3399(7) 0.5308(12) 0.074(7) Uani 1 1 d G U . . .
H27_7 H 0.884892 0.349233 0.528345 0.089 Uiso 1 1 calc R U . . .
C28_7 C 0.8532(8) 0.3401(8) 0.5661(10) 0.075(6) Uani 1 1 d G U . . .
H28_7 H 0.864619 0.349564 0.587745 0.090 Uiso 1 1 calc R U . . .
C29_7 C 0.8243(9) 0.3265(8) 0.5697(9) 0.075(6) Uani 1 1 d G U . . .
C30_7 C 0.8075(6) 0.3126(8) 0.5380(13) 0.074(6) Uani 1 1 d G U . . .
H30_7 H 0.787850 0.303301 0.540501 0.089 Uiso 1 1 calc R U . . .
C31_7 C 0.8196(8) 0.3124(7) 0.5027(10) 0.069(7) Uani 1 1 d G U . . .
H31_7 H 0.808122 0.302969 0.481101 0.083 Uiso 1 1 calc R U . . .
C32_7 C 0.8170(11) 0.3305(9) 0.6056(17) 0.076(5) Uani 1 1 d D U . . .
H32A_7 H 0.833661 0.339534 0.622505 0.091 Uiso 1 1 calc R U . . .
H32B_7 H 0.808888 0.342817 0.604019 0.091 Uiso 1 1 calc R U . . .
N33_7 N 0.7962(8) 0.3031(6) 0.6223(10) 0.0731(17) Uani 1 1 d DG U . . .
C34_7 C 0.7684(8) 0.2927(8) 0.6323(10) 0.075(4) Uani 1 1 d G U . . .
H34_7 H 0.760811 0.304655 0.632471 0.090 Uiso 1 1 calc R U . . .
C35_7 C 0.7519(6) 0.2647(8) 0.6421(11) 0.073(4) Uani 1 1 d G U . . .
H35_7 H 0.732893 0.257635 0.648878 0.088 Uiso 1 1 calc R U . . .
C36_7 C 0.7630(8) 0.2472(6) 0.6418(11) 0.0731(17) Uani 1 1 d G U . . .
C37_7 C 0.7908(9) 0.2576(8) 0.6318(11) 0.072(4) Uani 1 1 d G U . . .
H37_7 H 0.798440 0.245595 0.631676 0.087 Uiso 1 1 calc R U . . .
C38_7 C 0.8074(6) 0.2855(8) 0.6221(11) 0.074(4) Uani 1 1 d G U . . .
H38_7 H 0.826358 0.292615 0.615269 0.088 Uiso 1 1 calc R U . . .
C39_7 C 0.7459(7) 0.2200(6) 0.6570(10) 0.072(4) Uani 1 1 d G U . . .
N40_7 N 0.7186(8) 0.2109(7) 0.6681(11) 0.072(4) Uani 1 1 d G U . . .
C41_7 C 0.7011(6) 0.1832(8) 0.6782(10) 0.072(4) Uani 1 1 d G U . . .
N42_7 N 0.7109(7) 0.1646(5) 0.6773(11) 0.0731(17) Uani 1 1 d G U . . .
C43_7 C 0.7383(8) 0.1736(7) 0.6662(11) 0.0731(17) Uani 1 1 d G U . . .
N44_7 N 0.7557(6) 0.2013(8) 0.6561(10) 0.0731(17) Uani 1 1 d G U . . .
N45_7 N 0.6258(6) 0.1637(8) 0.7272(10) 0.0731(17) Uani 1 1 d G U . . .
C46_7 C 0.6446(8) 0.1909(7) 0.7163(11) 0.0731(17) Uani 1 1 d G U . . .
H46_7 H 0.640053 0.205127 0.719979 0.088 Uiso 1 1 calc R U . . .
C47_7 C 0.6701(7) 0.1973(6) 0.7001(11) 0.0731(17) Uani 1 1 d G U . . .
H47_7 H 0.682926 0.215911 0.692609 0.088 Uiso 1 1 calc R U . . .
C48_7 C 0.6768(6) 0.1765(9) 0.6947(11) 0.0731(17) Uani 1 1 d G U . . .
C49_7 C 0.6580(8) 0.1493(7) 0.7056(11) 0.0731(17) Uani 1 1 d G U . . .
H49_7 H 0.662581 0.135023 0.701977 0.088 Uiso 1 1 calc R U . . .
C50_7 C 0.6325(7) 0.1428(6) 0.7219(11) 0.0731(17) Uani 1 1 d G U . . .
H50_7 H 0.619707 0.124239 0.729347 0.088 Uiso 1 1 calc R U . . .
N51_7 N 0.7645(8) 0.1155(7) 0.6515(10) 0.0731(17) Uani 1 1 d G U . . .
C52_7 C 0.7837(6) 0.1429(8) 0.6608(11) 0.074(4) Uani 1 1 d G U . . .
H52_7 H 0.803018 0.148882 0.661701 0.088 Uiso 1 1 calc R U . . .
C53_7 C 0.7746(8) 0.1617(6) 0.6689(11) 0.074(4) Uani 1 1 d G U . . .
H53_7 H 0.787761 0.180437 0.675315 0.089 Uiso 1 1 calc R U . . .
C54_7 C 0.7464(9) 0.1530(8) 0.6676(11) 0.0731(17) Uani 1 1 d G U . . .
C55_7 C 0.7272(6) 0.1255(9) 0.6583(11) 0.073(4) Uani 1 1 d G U . . .
H55_7 H 0.707898 0.119587 0.657424 0.088 Uiso 1 1 calc R U . . .
C56_7 C 0.7363(7) 0.1068(6) 0.6502(11) 0.072(4) Uani 1 1 d G U . . .
H56_7 H 0.723155 0.088031 0.643809 0.087 Uiso 1 1 calc R U . . .
Pd1_8 Pd 0.57483(13) 0.02074(13) 0.63800(18) 0.091(2) Uani 1 1 d . U . . .
C1_8 C 0.5643(9) 0.0256(12) 0.7199(17) 0.109(7) Uani 1 1 d D U . . .
H1A_8 H 0.563654 0.041895 0.729806 0.164 Uiso 1 1 calc R U . . .
H1B_8 H 0.563867 0.014105 0.741744 0.164 Uiso 1 1 calc R U . . .
H1C_8 H 0.548159 0.014707 0.703116 0.164 Uiso 1 1 calc R U . . .
C2_8 C 0.6086(11) 0.0242(11) 0.7163(18) 0.109(7) Uani 1 1 d D U . . .
H2A_8 H 0.607143 0.008506 0.701288 0.164 Uiso 1 1 calc R U . . .
H2B_8 H 0.601474 0.017868 0.742624 0.164 Uiso 1 1 calc R U . . .
H2C_8 H 0.628115 0.038979 0.717688 0.164 Uiso 1 1 calc R U . . .
N3_8 N 0.5913(8) 0.0354(8) 0.6965(11) 0.109(7) Uani 1 1 d D U . . .
C4_8 C 0.6073(11) 0.0668(8) 0.6919(12) 0.111(8) Uani 1 1 d D U . . .
H4A_8 H 0.594348 0.074173 0.693106 0.134 Uiso 1 1 calc R U . . .
H4B_8 H 0.621074 0.075318 0.713034 0.134 Uiso 1 1 calc R U . . .
C5_8 C 0.6220(8) 0.0738(11) 0.6531(12) 0.111(9) Uani 1 1 d D U . . .
H5A_8 H 0.633915 0.094210 0.650638 0.133 Uiso 1 1 calc R U . . .
H5B_8 H 0.634088 0.065391 0.651430 0.133 Uiso 1 1 calc R U . . .
N6_8 N 0.6013(8) 0.0630(9) 0.6205(10) 0.110(8) Uani 1 1 d D U . . .
C7_8 C 0.5808(11) 0.0737(13) 0.6194(18) 0.113(10) Uani 1 1 d D U . . .
H7A_8 H 0.587466 0.089341 0.601156 0.170 Uiso 1 1 calc R U . . .
H7B_8 H 0.579216 0.080067 0.645373 0.170 Uiso 1 1 calc R U . . .
H7C_8 H 0.562462 0.058765 0.611036 0.170 Uiso 1 1 calc R U . . .
C8_8 C 0.6132(12) 0.0678(13) 0.5795(12) 0.122(14) Uani 1 1 d D U . . .
H8A_8 H 0.611261 0.050377 0.569383 0.183 Uiso 1 1 calc R U . . .
H8B_8 H 0.632992 0.082078 0.580178 0.183 Uiso 1 1 calc R U . . .
H8C_8 H 0.603128 0.074000 0.562746 0.183 Uiso 1 1 calc R U . . .
Pd1_9 Pd 0.62962(12) -0.23886(13) 0.4306(2) 0.102(2) Uani 1 1 d D U . . .
C1_9 C 0.6208(10) -0.2893(10) 0.4887(18) 0.107(5) Uani 1 1 d D U . . .
H1A_9 H 0.601959 -0.292360 0.484513 0.160 Uiso 1 1 calc R U . . .
H1B_9 H 0.625004 -0.287043 0.516541 0.160 Uiso 1 1 calc R U . . .
H1C_9 H 0.621783 -0.305400 0.478988 0.160 Uiso 1 1 calc R U . . .
C2_9 C 0.6593(12) -0.2384(10) 0.4944(17) 0.107(5) Uani 1 1 d D U . . .
H2A_9 H 0.677976 -0.226685 0.483708 0.160 Uiso 1 1 calc R U . . .
H2B_9 H 0.660682 -0.245682 0.519741 0.160 Uiso 1 1 calc R U . . .
H2C_9 H 0.650113 -0.227316 0.497560 0.160 Uiso 1 1 calc R U . . .
N3_9 N 0.6422(9) -0.2627(9) 0.4668(12) 0.107(5) Uani 1 1 d D U . . .
C4_9 C 0.6612(11) -0.2673(10) 0.4395(14) 0.113(7) Uani 1 1 d D U . . .
H4A_9 H 0.674487 -0.270261 0.455040 0.136 Uiso 1 1 calc R U . . .
H4B_9 H 0.649720 -0.284472 0.424132 0.136 Uiso 1 1 calc R U . . .
C5_9 C 0.6771(9) -0.2434(11) 0.4122(15) 0.115(7) Uani 1 1 d D U . . .
H5A_9 H 0.686077 -0.249165 0.392237 0.138 Uiso 1 1 calc R U . . .
H5B_9 H 0.692071 -0.227752 0.426919 0.138 Uiso 1 1 calc R U . . .
N6_9 N 0.6594(8) -0.2333(7) 0.3921(11) 0.111(6) Uani 1 1 d D U . . .
C7_9 C 0.6765(10) -0.2032(9) 0.3791(18) 0.116(12) Uani 1 1 d D U . . .
H7A_9 H 0.686336 -0.202306 0.355013 0.175 Uiso 1 1 calc R U . . .
H7B_9 H 0.690052 -0.192329 0.399269 0.175 Uiso 1 1 calc R U . . .
H7C_9 H 0.664130 -0.195635 0.374553 0.175 Uiso 1 1 calc R U . . .
C8_9 C 0.6464(11) -0.2490(11) 0.3545(12) 0.117(12) Uani 1 1 d D U . . .
H8A_9 H 0.631817 -0.245084 0.346088 0.175 Uiso 1 1 calc R U . . .
H8B_9 H 0.638298 -0.269019 0.358883 0.175 Uiso 1 1 calc R U . . .
H8C_9 H 0.660795 -0.242870 0.334399 0.175 Uiso 1 1 calc R U . . .
Pd1_10 Pd 0.90053(11) 0.07416(13) 0.50726(14) 0.0765(17) Uani 1 1 d D U . . .
C1_10 C 0.8573(6) 0.0380(10) 0.4461(17) 0.091(13) Uani 1 1 d D U . . .
H1A_10 H 0.849419 0.050238 0.442505 0.137 Uiso 1 1 calc R U . . .
H1B_10 H 0.848864 0.026217 0.468902 0.137 Uiso 1 1 calc R U . . .
H1C_10 H 0.853512 0.026311 0.423064 0.137 Uiso 1 1 calc R U . . .
C2_10 C 0.9037(11) 0.0392(10) 0.4486(18) 0.093(11) Uani 1 1 d D U . . .
H2A_10 H 0.892381 0.022564 0.432844 0.139 Uiso 1 1 calc R U . . .
H2B_10 H 0.906368 0.033634 0.474476 0.139 Uiso 1 1 calc R U . . .
H2C_10 H 0.921850 0.050632 0.436147 0.139 Uiso 1 1 calc R U . . .
N3_10 N 0.8890(6) 0.0559(6) 0.4521(9) 0.071(6) Uani 1 1 d D U . . .
C4_10 C 0.9011(8) 0.0817(8) 0.4263(13) 0.085(8) Uani 1 1 d D U . . .
H4A_10 H 0.899702 0.076257 0.398672 0.102 Uiso 1 1 calc R U . . .
H4B_10 H 0.890608 0.091669 0.429970 0.102 Uiso 1 1 calc R U . . .
C5_10 C 0.9311(7) 0.1003(10) 0.4372(11) 0.082(8) Uani 1 1 d D U . . .
H5A_10 H 0.939953 0.116602 0.419646 0.098 Uiso 1 1 calc R U . . .
H5B_10 H 0.941380 0.090039 0.435345 0.098 Uiso 1 1 calc R U . . .
N6_10 N 0.9315(6) 0.1097(6) 0.4784(10) 0.084(7) Uani 1 1 d D U . . .
C7_10 C 0.9236(11) 0.1321(11) 0.4832(17) 0.093(10) Uani 1 1 d D U . . .
H7A_10 H 0.917714 0.135715 0.458171 0.140 Uiso 1 1 calc R U . . .
H7B_10 H 0.939803 0.149243 0.492714 0.140 Uiso 1 1 calc R U . . .
H7C_10 H 0.908357 0.125858 0.501950 0.140 Uiso 1 1 calc R U . . .
C8_10 C 0.9586(9) 0.1200(13) 0.5002(15) 0.096(11) Uani 1 1 d D U . . .
H8A_10 H 0.973664 0.124339 0.481718 0.143 Uiso 1 1 calc R U . . .
H8B_10 H 0.956913 0.105571 0.518215 0.143 Uiso 1 1 calc R U . . .
H8C_10 H 0.962824 0.136858 0.514815 0.143 Uiso 1 1 calc R U . . .
Pd1_11 Pd 0.50414(14) -0.23372(12) 0.75825(16) 0.104(2) Uani 1 1 d D U . . .
C1_11 C 0.5219(11) -0.1908(9) 0.8255(18) 0.105(14) Uani 1 1 d D U . . .
H1A_11 H 0.530844 -0.179475 0.802380 0.158 Uiso 1 1 calc R U . . .
H1B_11 H 0.535967 -0.191922 0.841396 0.158 Uiso 1 1 calc R U . . .
H1C_11 H 0.513241 -0.182172 0.840567 0.158 Uiso 1 1 calc R U . . .
C2_11 C 0.4710(9) -0.2217(11) 0.8115(17) 0.101(10) Uani 1 1 d D U . . .
H2A_11 H 0.473673 -0.203023 0.815522 0.151 Uiso 1 1 calc R U . . .
H2B_11 H 0.458956 -0.234175 0.831982 0.151 Uiso 1 1 calc R U . . .
H2C_11 H 0.462363 -0.228790 0.786175 0.151 Uiso 1 1 calc R U . . .
N3_11 N 0.4995(9) -0.2203(7) 0.8130(12) 0.097(6) Uani 1 1 d D U . . .
C4_11 C 0.4989(11) -0.2419(10) 0.8412(13) 0.098(8) Uani 1 1 d D U . . .
H4A_11 H 0.502497 -0.234406 0.867908 0.117 Uiso 1 1 calc R U . . .
H4B_11 H 0.480310 -0.258958 0.840609 0.117 Uiso 1 1 calc R U . . .
C5_11 C 0.5206(11) -0.2487(11) 0.8294(11) 0.100(7) Uani 1 1 d D U . . .
H5A_11 H 0.519715 -0.263311 0.846877 0.121 Uiso 1 1 calc R U . . .
H5B_11 H 0.539188 -0.231917 0.832572 0.121 Uiso 1 1 calc R U . . .
N6_11 N 0.5174(9) -0.2588(8) 0.7877(11) 0.104(5) Uani 1 1 d D U . . .
C7_11 C 0.4926(10) -0.2879(10) 0.7823(15) 0.104(6) Uani 1 1 d D U . . .
H7A_11 H 0.475314 -0.287269 0.785479 0.156 Uiso 1 1 calc R U . . .
H7B_11 H 0.493263 -0.300419 0.801736 0.156 Uiso 1 1 calc R U . . .
H7C_11 H 0.493136 -0.294642 0.756265 0.156 Uiso 1 1 calc R U . . .
C8_11 C 0.5425(10) -0.2602(12) 0.7730(15) 0.104(6) Uani 1 1 d D U . . .
H8A_11 H 0.539223 -0.266935 0.746184 0.156 Uiso 1 1 calc R U . . .
H8B_11 H 0.545541 -0.272871 0.789363 0.156 Uiso 1 1 calc R U . . .
H8C_11 H 0.559056 -0.241524 0.773963 0.156 Uiso 1 1 calc R U . . .
Pd1_12 Pd 0.77989(14) 0.09232(14) 0.63151(17) 0.086(2) Uani 1 1 d . U . . .
C1_12 C 0.7773(11) 0.0484(11) 0.5819(15) 0.105(11) Uani 1 1 d D U . . .
H1A_12 H 0.782443 0.057114 0.556194 0.157 Uiso 1 1 calc R U . . .
H1B_12 H 0.758551 0.044615 0.588560 0.157 Uiso 1 1 calc R U . . .
H1C_12 H 0.777670 0.030926 0.581612 0.157 Uiso 1 1 calc R U . . .
C2_12 C 0.8263(10) 0.0890(12) 0.5943(17) 0.111(12) Uani 1 1 d D U . . .
H2A_12 H 0.826403 0.085190 0.566589 0.166 Uiso 1 1 calc R U . . .
H2B_12 H 0.841088 0.087380 0.607439 0.166 Uiso 1 1 calc R U . . .
H2C_12 H 0.829487 0.107964 0.597753 0.166 Uiso 1 1 calc R U . . .
N3_12 N 0.7980(9) 0.0680(9) 0.6119(11) 0.094(5) Uani 1 1 d D U . . .
C4_12 C 0.8013(11) 0.0526(12) 0.6465(12) 0.099(7) Uani 1 1 d D U . . .
H4A_12 H 0.800039 0.035070 0.637621 0.119 Uiso 1 1 calc R U . . .
H4B_12 H 0.819795 0.064314 0.658558 0.119 Uiso 1 1 calc R U . . .
C5_12 C 0.7790(11) 0.0464(9) 0.6755(14) 0.101(7) Uani 1 1 d D U . . .
H5A_12 H 0.783116 0.039411 0.699576 0.122 Uiso 1 1 calc R U . . .
H5B_12 H 0.761000 0.031544 0.665221 0.122 Uiso 1 1 calc R U . . .
N6_12 N 0.7765(9) 0.0719(9) 0.6851(11) 0.099(6) Uani 1 1 d D U . . .
C7_12 C 0.8008(10) 0.0939(10) 0.7080(16) 0.097(10) Uani 1 1 d D U . . .
H7A_12 H 0.818288 0.097051 0.696337 0.146 Uiso 1 1 calc R U . . .
H7B_12 H 0.799695 0.087664 0.734874 0.146 Uiso 1 1 calc R U . . .
H7C_12 H 0.800283 0.111312 0.707595 0.146 Uiso 1 1 calc R U . . .
C8_12 C 0.7510(10) 0.0649(12) 0.7101(18) 0.115(11) Uani 1 1 d D U . . .
H8A_12 H 0.734319 0.056991 0.693708 0.173 Uiso 1 1 calc R U . . .
H8B_12 H 0.753538 0.081928 0.722542 0.173 Uiso 1 1 calc R U . . .
H8C_12 H 0.748799 0.051368 0.730055 0.173 Uiso 1 1 calc R U . . .
Pd1_13 Pd 0.59099(11) 0.15796(10) 0.75593(14) 0.0616(14) Uani 1 1 d . U . . .
C1_13 C 0.6362(9) 0.1950(8) 0.8152(15) 0.064(4) Uani 1 1 d D U . . .
H1A_13 H 0.638739 0.205105 0.790846 0.096 Uiso 1 1 calc R U . . .
H1B_13 H 0.652427 0.192830 0.819943 0.096 Uiso 1 1 calc R U . . .
H1C_13 H 0.634087 0.205420 0.836627 0.096 Uiso 1 1 calc R U . . .
C2_13 C 0.6179(11) 0.1435(9) 0.8175(15) 0.064(4) Uani 1 1 d D U . . .
H2A_13 H 0.606759 0.130849 0.838468 0.096 Uiso 1 1 calc R U . . .
H2B_13 H 0.637720 0.152099 0.823985 0.096 Uiso 1 1 calc R U . . .
H2C_13 H 0.614232 0.132897 0.793300 0.096 Uiso 1 1 calc R U . . .
N3_13 N 0.6100(7) 0.1662(7) 0.8124(11) 0.064(4) Uani 1 1 d D U . . .
C4_13 C 0.5885(8) 0.1641(10) 0.8420(11) 0.068(6) Uani 1 1 d D U . . .
H4A_13 H 0.590864 0.156128 0.866443 0.082 Uiso 1 1 calc R U . . .
H4B_13 H 0.591631 0.182919 0.847645 0.082 Uiso 1 1 calc R U . . .
C5_13 C 0.5599(8) 0.1464(10) 0.8276(11) 0.077(7) Uani 1 1 d D U . . .
H5A_13 H 0.547284 0.149692 0.844330 0.093 Uiso 1 1 calc R U . . .
H5B_13 H 0.554872 0.126739 0.831047 0.093 Uiso 1 1 calc R U . . .
N6_13 N 0.5542(7) 0.1503(8) 0.7862(10) 0.073(6) Uani 1 1 d D U . . .
C7_13 C 0.5490(12) 0.1741(9) 0.7778(15) 0.082(9) Uani 1 1 d D U . . .
H7A_13 H 0.566589 0.191781 0.779241 0.123 Uiso 1 1 calc R U . . .
H7B_13 H 0.535914 0.174043 0.796996 0.123 Uiso 1 1 calc R U . . .
H7C_13 H 0.541038 0.171787 0.751775 0.123 Uiso 1 1 calc R U . . .
C8_13 C 0.5277(10) 0.1253(9) 0.7703(15) 0.095(12) Uani 1 1 d D U . . .
H8A_13 H 0.521101 0.131045 0.747760 0.143 Uiso 1 1 calc R U . . .
H8B_13 H 0.513312 0.118035 0.790459 0.143 Uiso 1 1 calc R U . . .
H8C_13 H 0.531817 0.110669 0.762586 0.143 Uiso 1 1 calc R U . . .
Pd1_14 Pd 0.90261(17) 0.20057(15) 0.8385(2) 0.127(2) Uani 1 1 d . U . . .
C1_14 C 0.9514(11) 0.2488(15) 0.804(2) 0.135(6) Uani 1 1 d D U . . .
H1A_14 H 0.953699 0.232788 0.798337 0.202 Uiso 1 1 calc R U . . .
H1B_14 H 0.959742 0.256466 0.829659 0.202 Uiso 1 1 calc R U . . .
H1C_14 H 0.960748 0.263148 0.784326 0.202 Uiso 1 1 calc R U . . .
C2_14 C 0.9091(14) 0.2341(15) 0.7636(16) 0.135(6) Uani 1 1 d D U . . .
H2A_14 H 0.924570 0.243765 0.745358 0.202 Uiso 1 1 calc R U . . .
H2B_14 H 0.895926 0.240860 0.760410 0.202 Uiso 1 1 calc R U . . .
H2C_14 H 0.899530 0.213993 0.758368 0.202 Uiso 1 1 calc R U . . .
N3_14 N 0.9203(10) 0.2396(10) 0.8052(13) 0.135(6) Uani 1 1 d D U . . .
C4_14 C 0.9136(12) 0.2579(10) 0.8295(16) 0.140(7) Uani 1 1 d D U . . .
H4A_14 H 0.908955 0.269264 0.812190 0.168 Uiso 1 1 calc R U . . .
H4B_14 H 0.930357 0.270863 0.844583 0.168 Uiso 1 1 calc R U . . .
C5_14 C 0.8897(11) 0.2419(12) 0.8573(15) 0.139(6) Uani 1 1 d D U . . .
H5A_14 H 0.888007 0.255301 0.874513 0.167 Uiso 1 1 calc R U . . .
H5B_14 H 0.872189 0.231871 0.842201 0.167 Uiso 1 1 calc R U . . .
N6_14 N 0.8930(10) 0.2213(10) 0.8818(12) 0.140(6) Uani 1 1 d D U . . .
C7_14 C 0.8656(11) 0.2010(11) 0.9015(19) 0.140(6) Uani 1 1 d D U . . .
H7A_14 H 0.850775 0.192582 0.881995 0.210 Uiso 1 1 calc R U . . .
H7B_14 H 0.860827 0.210928 0.920735 0.210 Uiso 1 1 calc R U . . .
H7C_14 H 0.867542 0.186282 0.914440 0.210 Uiso 1 1 calc R U . . .
C8_14 C 0.9148(12) 0.2361(13) 0.9136(17) 0.140(6) Uani 1 1 d D U . . .
H8A_14 H 0.933376 0.242074 0.903258 0.210 Uiso 1 1 calc R U . . .
H8B_14 H 0.910923 0.223372 0.935400 0.210 Uiso 1 1 calc R U . . .
H8C_14 H 0.913926 0.252492 0.922554 0.210 Uiso 1 1 calc R U . . .
Pd1_16 Pd 0.47329(16) 0.03419(13) 0.4172(2) 0.154(3) Uani 1 1 d D U . . .
C1_16 C 0.4409(12) 0.0359(11) 0.4817(15) 0.181(8) Uani 1 1 d D U . . .
H1A_16 H 0.450516 0.054059 0.468675 0.272 Uiso 1 1 calc R U . . .
H1B_16 H 0.450349 0.036914 0.506128 0.272 Uiso 1 1 calc R U . . .
H1C_16 H 0.421568 0.030891 0.486960 0.272 Uiso 1 1 calc R U . . .
C2_16 C 0.4490(12) -0.0038(11) 0.4815(14) 0.181(8) Uani 1 1 d D U . . .
H2A_16 H 0.432136 -0.018945 0.493242 0.272 Uiso 1 1 calc R U . . .
H2B_16 H 0.461682 0.008057 0.501914 0.272 Uiso 1 1 calc R U . . .
H2C_16 H 0.458282 -0.011716 0.466019 0.272 Uiso 1 1 calc R U . . .
N3_16 N 0.4413(5) 0.0136(6) 0.4551(8) 0.181(8) Uani 1 1 d D U . . .
C4_16 C 0.4163(9) -0.0014(13) 0.4286(15) 0.184(9) Uani 1 1 d D U . . .
H4A_16 H 0.399994 -0.015018 0.443845 0.221 Uiso 1 1 calc R U . . .
H4B_16 H 0.411803 0.012162 0.416991 0.221 Uiso 1 1 calc R U . . .
C5_16 C 0.4223(8) -0.0164(11) 0.3969(16) 0.185(10) Uani 1 1 d D U . . .
H5A_16 H 0.409180 -0.020278 0.375154 0.222 Uiso 1 1 calc R U . . .
H5B_16 H 0.419258 -0.034433 0.406933 0.222 Uiso 1 1 calc R U . . .
N6_16 N 0.4523(6) 0.0010(4) 0.3822(8) 0.175(9) Uani 1 1 d D U . . .
C7_16 C 0.4517(14) 0.0115(11) 0.3415(10) 0.179(14) Uani 1 1 d D U . . .
H7A_16 H 0.467824 0.013776 0.326745 0.269 Uiso 1 1 calc R U . . .
H7B_16 H 0.452329 0.029437 0.343247 0.269 Uiso 1 1 calc R U . . .
H7C_16 H 0.434524 -0.002032 0.328306 0.269 Uiso 1 1 calc R U . . .
C8_16 C 0.4671(12) -0.0156(10) 0.3811(19) 0.180(11) Uani 1 1 d D U . . .
H8A_16 H 0.454575 -0.034164 0.370589 0.270 Uiso 1 1 calc R U . . .
H8B_16 H 0.472790 -0.017270 0.407403 0.270 Uiso 1 1 calc R U . . .
H8C_16 H 0.483662 -0.006037 0.364512 0.270 Uiso 1 1 calc R U . . .
Pd1_17 Pd 0.71907(16) 0.10111(16) 0.2636(2) 0.132(2) Uani 1 1 d D U . . .
C1_17 C 0.7471(14) 0.0736(12) 0.2802(15) 0.145(12) Uani 1 1 d D U . . .
H1A_17 H 0.731760 0.071976 0.296204 0.218 Uiso 1 1 calc R U . . .
H1B_17 H 0.763554 0.079206 0.296524 0.218 Uiso 1 1 calc R U . . .
H1C_17 H 0.741650 0.055656 0.267988 0.218 Uiso 1 1 calc R U . . .
C2_17 C 0.7847(10) 0.1187(12) 0.2525(19) 0.154(14) Uani 1 1 d D U . . .
H2A_17 H 0.796674 0.110353 0.252013 0.230 Uiso 1 1 calc R U . . .
H2B_17 H 0.787402 0.128693 0.276981 0.230 Uiso 1 1 calc R U . . .
H2C_17 H 0.789669 0.131791 0.230765 0.230 Uiso 1 1 calc R U . . .
N3_17 N 0.7540(7) 0.0957(9) 0.2487(12) 0.139(6) Uani 1 1 d D U . . .
C4_17 C 0.7462(10) 0.0830(13) 0.2079(13) 0.140(8) Uani 1 1 d D U . . .
H4A_17 H 0.751034 0.097751 0.188301 0.168 Uiso 1 1 calc R U . . .
H4B_17 H 0.756325 0.072970 0.201603 0.168 Uiso 1 1 calc R U . . .
C5_17 C 0.7154(10) 0.0632(10) 0.2084(18) 0.138(7) Uani 1 1 d D U . . .
H5A_17 H 0.710562 0.050479 0.230824 0.166 Uiso 1 1 calc R U . . .
H5B_17 H 0.709904 0.051821 0.184414 0.166 Uiso 1 1 calc R U . . .
N6_17 N 0.6996(8) 0.0790(8) 0.2110(11) 0.137(6) Uani 1 1 d D U . . .
C7_17 C 0.6687(9) 0.0594(12) 0.218(2) 0.144(12) Uani 1 1 d D U . . .
H7A_17 H 0.657778 0.064894 0.201896 0.217 Uiso 1 1 calc R U . . .
H7B_17 H 0.664471 0.060436 0.245615 0.217 Uiso 1 1 calc R U . . .
H7C_17 H 0.663957 0.040312 0.211937 0.217 Uiso 1 1 calc R U . . .
C8_17 C 0.7008(14) 0.0956(13) 0.1753(16) 0.142(12) Uani 1 1 d D U . . .
H8A_17 H 0.704925 0.087713 0.152468 0.212 Uiso 1 1 calc R U . . .
H8B_17 H 0.715465 0.115021 0.178617 0.212 Uiso 1 1 calc R U . . .
H8C_17 H 0.682832 0.094650 0.171758 0.212 Uiso 1 1 calc R U . . .
Pd1_18 Pd 0.57828(13) -0.05047(13) 0.27290(19) 0.0995(19) Uani 1 1 d . U . . .
C1_18 C 0.6097(12) 0.0082(12) 0.2826(16) 0.122(12) Uani 1 1 d D U . . .
H1A_18 H 0.619551 0.027301 0.272517 0.183 Uiso 1 1 calc R U . . .
H1B_18 H 0.622708 0.001241 0.285174 0.183 Uiso 1 1 calc R U . . .
H1C_18 H 0.601665 0.008032 0.308004 0.183 Uiso 1 1 calc R U . . .
C2_18 C 0.5633(11) -0.0032(13) 0.2586(18) 0.119(10) Uani 1 1 d D U . . .
H2A_18 H 0.570119 0.014124 0.273271 0.178 Uiso 1 1 calc R U . . .
H2B_18 H 0.547381 -0.018342 0.272188 0.178 Uiso 1 1 calc R U . . .
H2C_18 H 0.557367 -0.000889 0.232683 0.178 Uiso 1 1 calc R U . . .
N3_18 N 0.5865(10) -0.0103(9) 0.2547(13) 0.119(6) Uani 1 1 d D U . . .
C4_18 C 0.5966(13) -0.0069(11) 0.2123(13) 0.127(8) Uani 1 1 d D U . . .
H4A_18 H 0.580424 -0.016806 0.194701 0.153 Uiso 1 1 calc R U . . .
H4B_18 H 0.606661 0.013057 0.205139 0.153 Uiso 1 1 calc R U . . .
C5_18 C 0.6155(10) -0.0188(8) 0.2087(18) 0.126(8) Uani 1 1 d D U . . .
H5A_18 H 0.631700 -0.008799 0.226227 0.152 Uiso 1 1 calc R U . . .
H5B_18 H 0.622516 -0.016568 0.181756 0.152 Uiso 1 1 calc R U . . .
N6_18 N 0.5994(10) -0.0497(8) 0.2194(14) 0.119(7) Uani 1 1 d D U . . .
C7_18 C 0.5785(12) -0.0675(12) 0.1884(18) 0.127(13) Uani 1 1 d D U . . .
H7A_18 H 0.586269 -0.060212 0.162678 0.191 Uiso 1 1 calc R U . . .
H7B_18 H 0.561230 -0.067108 0.191964 0.191 Uiso 1 1 calc R U . . .
H7C_18 H 0.574687 -0.086776 0.190592 0.191 Uiso 1 1 calc R U . . .
C8_18 C 0.6180(12) -0.0618(12) 0.2290(19) 0.124(10) Uani 1 1 d D U . . .
H8A_18 H 0.619570 -0.071469 0.206160 0.187 Uiso 1 1 calc R U . . .
H8B_18 H 0.609823 -0.074995 0.250510 0.187 Uiso 1 1 calc R U . . .
H8C_18 H 0.636488 -0.046726 0.236401 0.187 Uiso 1 1 calc R U . . .
Pd1_19 Pd 0.64581(13) -0.11340(16) 0.62774(18) 0.093(2) Uani 1 1 d . U . . .
C1_19 C 0.6475(12) -0.1172(14) 0.5399(19) 0.135(15) Uani 1 1 d D U . . .
H1A_19 H 0.648635 -0.133419 0.548678 0.202 Uiso 1 1 calc R U . . .
H1B_19 H 0.666178 -0.101919 0.533769 0.202 Uiso 1 1 calc R U . . .
H1C_19 H 0.635747 -0.122191 0.516652 0.202 Uiso 1 1 calc R U . . .
C2_19 C 0.6460(12) -0.0765(9) 0.569(2) 0.127(14) Uani 1 1 d D U . . .
H2A_19 H 0.641013 -0.072075 0.544074 0.190 Uiso 1 1 calc R U . . .
H2B_19 H 0.666336 -0.066564 0.571992 0.190 Uiso 1 1 calc R U . . .
H2C_19 H 0.637913 -0.070720 0.590068 0.190 Uiso 1 1 calc R U . . .
N3_19 N 0.6347(8) -0.1081(9) 0.5721(12) 0.113(8) Uani 1 1 d D U . . .
C4_19 C 0.6029(8) -0.1250(12) 0.5715(14) 0.117(10) Uani 1 1 d D U . . .
H4A_19 H 0.595414 -0.112134 0.571264 0.141 Uiso 1 1 calc R U . . .
H4B_19 H 0.596730 -0.136238 0.547426 0.141 Uiso 1 1 calc R U . . .
C5_19 C 0.5917(10) -0.1437(11) 0.6055(12) 0.116(9) Uani 1 1 d D U . . .
H5A_19 H 0.592247 -0.160911 0.599571 0.139 Uiso 1 1 calc R U . . .
H5B_19 H 0.571909 -0.149047 0.608509 0.139 Uiso 1 1 calc R U . . .
N6_19 N 0.6060(9) -0.1327(10) 0.6441(11) 0.107(7) Uani 1 1 d D U . . .
C7_19 C 0.6009(12) -0.1106(11) 0.6621(17) 0.109(11) Uani 1 1 d D U . . .
H7A_19 H 0.598856 -0.099574 0.641453 0.163 Uiso 1 1 calc R U . . .
H7B_19 H 0.616613 -0.098418 0.678732 0.163 Uiso 1 1 calc R U . . .
H7C_19 H 0.583764 -0.119689 0.677580 0.163 Uiso 1 1 calc R U . . .
C8_19 C 0.5963(13) -0.1560(11) 0.6745(15) 0.118(13) Uani 1 1 d D U . . .
H8A_19 H 0.582118 -0.173609 0.663049 0.177 Uiso 1 1 calc R U . . .
H8B_19 H 0.588463 -0.151414 0.696836 0.177 Uiso 1 1 calc R U . . .
H8C_19 H 0.612246 -0.157790 0.682876 0.177 Uiso 1 1 calc R U . . .
Pd1_20 Pd 0.71507(14) -0.03981(17) 0.9939(2) 0.149(3) Uani 1 1 d D U . . .
C1_20 C 0.7228(13) 0.0132(12) 1.0252(19) 0.161(12) Uani 1 1 d D U . . .
H1A_20 H 0.743011 0.023750 1.021335 0.242 Uiso 1 1 calc R U . . .
H1B_20 H 0.717546 0.022429 1.045015 0.242 Uiso 1 1 calc R U . . .
H1C_20 H 0.713372 0.012312 1.000797 0.242 Uiso 1 1 calc R U . . .
C2_20 C 0.7358(12) -0.0159(15) 1.0669(19) 0.163(13) Uani 1 1 d D U . . .
H2A_20 H 0.739051 -0.031313 1.060939 0.244 Uiso 1 1 calc R U . . .
H2B_20 H 0.728977 -0.017743 1.093546 0.244 Uiso 1 1 calc R U . . .
H2C_20 H 0.753318 0.001833 1.064145 0.244 Uiso 1 1 calc R U . . .
N3_20 N 0.7141(9) -0.0164(10) 1.0387(13) 0.158(9) Uani 1 1 d D U . . .
C4_20 C 0.6861(10) -0.0282(12) 1.060(2) 0.164(10) Uani 1 1 d D U . . .
H4A_20 H 0.675987 -0.018806 1.050450 0.197 Uiso 1 1 calc R U . . .
H4B_20 H 0.689220 -0.024839 1.088090 0.197 Uiso 1 1 calc R U . . .
C5_20 C 0.6688(14) -0.0598(13) 1.0516(18) 0.166(9) Uani 1 1 d D U . . .
H5A_20 H 0.672838 -0.070007 1.071830 0.199 Uiso 1 1 calc R U . . .
H5B_20 H 0.648761 -0.065872 1.052909 0.199 Uiso 1 1 calc R U . . .
N6_20 N 0.6757(7) -0.0670(10) 1.0114(14) 0.166(7) Uani 1 1 d D U . . .
C7_20 C 0.6734(15) -0.0957(16) 1.0187(19) 0.166(7) Uani 1 1 d D U . . .
H7A_20 H 0.663556 -0.103439 1.043215 0.248 Uiso 1 1 calc R U . . .
H7B_20 H 0.692106 -0.093289 1.020187 0.248 Uiso 1 1 calc R U . . .
H7C_20 H 0.663070 -0.108351 0.997399 0.248 Uiso 1 1 calc R U . . .
C8_20 C 0.6492(13) -0.0749(15) 0.9873(19) 0.166(7) Uani 1 1 d D U . . .
H8A_20 H 0.653207 -0.060361 0.968104 0.248 Uiso 1 1 calc R U . . .
H8B_20 H 0.634244 -0.076875 1.004576 0.248 Uiso 1 1 calc R U . . .
H8C_20 H 0.643220 -0.092654 0.973968 0.248 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1 Mo9 1.75(3) . ?
O1 Mo44 2.01(3) . ?
Mo4 O6 1.65(4) . ?
Mo4 O4 1.86(4) . ?
Mo4 O128 1.99(4) . ?
Mo4 O24 2.03(4) . ?
Mo4 O34 2.05(4) . ?
Mo4 O27 2.34(4) . ?
Mo7 O25 1.77(4) . ?
Mo7 O22 1.85(4) . ?
Mo7 O11 1.92(4) . ?
Mo7 O13 1.96(4) . ?
Mo7 O4 1.97(4) . ?
Mo7 O27 2.49(4) . ?
Mo8 O18 1.80(4) . ?
Mo8 O30 1.86(4) . ?
Mo8 O36 1.93(4) . ?
Mo8 O123 1.94(4) . ?
Mo8 O19 2.03(4) . ?
Mo8 O9 2.40(4) . ?
Mo22 O15 1.75(4) . ?
Mo22 O17 1.88(4) . ?
Mo22 O10 1.89(4) . ?
Mo22 O26 1.92(4) . ?
Mo22 O80 2.01(4) . ?
Mo22 O8 2.28(4) . ?
Mo25 O14 1.54(4) . ?
Mo25 O39 1.82(4) . ?
Mo25 O24 1.82(4) . ?
Mo25 O17 1.91(4) . ?
Mo25 O13 1.92(4) . ?
Mo25 O27 2.44(4) . ?
Mo28 O23 1.72(4) . ?
Mo28 O80 1.87(4) . ?
Mo28 O33 1.91(4) . ?
Mo28 O5 1.94(4) . ?
Mo28 O22 1.95(4) . ?
Mo28 O8 2.40(4) . ?
O28 Mo3 1.75(4) . ?
O28 O125 1.81(5) . ?
O28 Mo34 2.24(3) . ?
Mo29 O34 1.84(4) . ?
Mo29 O31 1.87(3) . ?
Mo29 O35 1.88(4) . ?
Mo29 O122 1.94(4) . ?
Mo29 O32 1.98(4) . ?
Mo29 O12 2.29(3) . ?
Mo31 O29 1.78(4) . ?
Mo31 O128 1.83(4) . ?
Mo31 O32 1.84(4) . ?
Mo31 O37 1.92(2) . ?
Mo31 O36 1.97(4) . ?
Mo31 O9 2.30(4) . ?
Mo35 O7 1.78(4) . ?
Mo35 O5 1.90(4) . ?
Mo35 O122 1.95(4) . ?
Mo35 O11 2.00(4) . ?
Mo35 O3 2.01(4) . ?
Mo35 O12 2.36(4) . ?
Mo39 O16 1.80(4) . ?
Mo39 O123 1.82(4) . ?
Mo39 O26 1.83(4) . ?
Mo39 O37 1.92(3) . ?
Mo39 O39 2.06(4) . ?
Mo39 O9 2.47(4) . ?
Mo3 O92 1.64(3) . ?
Mo3 O125 1.92(3) . ?
Mo3 O98 1.93(4) . ?
Mo3 O95 1.98(4) . ?
Mo3 O96 2.35(3) . ?
Mo6 O89 1.75(4) . ?
Mo6 O102 1.85(4) . ?
Mo6 O126 1.90(3) . ?
Mo6 O84 1.93(4) . ?
Mo6 O87 1.93(4) . ?
Mo6 O83 2.36(3) . ?
Mo9 O54 1.71(4) . ?
Mo9 O58 1.91(3) . ?
Mo9 O60 1.97(4) . ?
Mo9 O50 1.98(4) . ?
Mo9 O59 2.34(4) . ?
Mo10 O117 1.80(4) . ?
Mo10 O113 1.89(4) . ?
Mo10 O105 1.93(4) . ?
Mo10 O85 1.94(4) . ?
Mo10 O106 1.99(4) . ?
Mo10 O108 2.25(3) . ?
Mo12 O88 1.71(4) . ?
Mo12 O87 1.86(4) . ?
Mo12 O114 1.87(4) . ?
Mo12 O112 1.96(4) . ?
Mo12 O251 1.96(4) . ?
Mo12 O107 2.38(3) . ?
Mo13 O90 1.70(3) . ?
Mo13 O105 1.85(4) . ?
Mo13 O112 1.89(4) . ?
Mo13 O82 1.94(4) . ?
Mo13 O102 1.97(4) . ?
Mo13 O108 2.35(3) . ?
Mo14 O63 1.71(4) . ?
Mo14 O64 1.90(4) . ?
Mo14 O49 1.93(4) . ?
Mo14 O76 1.95(4) . ?
Mo14 O47 1.96(4) . ?
Mo14 O75 2.37(3) . ?
Mo16 O44 1.68(4) . ?
Mo16 O49 1.87(4) . ?
Mo16 O45 1.93(4) . ?
Mo16 O121 1.94(4) . ?
Mo16 O40 1.95(4) . ?
Mo16 O55 2.20(4) . ?
Mo17 O81 1.78(4) . ?
Mo17 O101 1.82(4) . ?
Mo17 O85 1.93(4) . ?
Mo17 O82 1.95(3) . ?
Mo17 O86 1.95(3) . ?
Mo17 O108 2.31(3) . ?
Mo18 O43 1.81(4) . ?
Mo18 O48 1.82(4) . ?
Mo18 O40 1.82(4) . ?
Mo18 O74 1.96(4) . ?
Mo18 O41 1.97(4) . ?
Mo18 O55 2.28(4) . ?
Mo24 O115 1.71(4) . ?
Mo24 O98 1.84(3) . ?
Mo24 O118 1.88(4) . ?
Mo24 O116 2.02(4) . ?
Mo24 O114 2.04(4) . ?
Mo24 O107 2.28(3) . ?
Mo21 O67 1.71(4) . ?
Mo21 O72 1.80(4) . ?
Mo21 O61 1.84(4) . ?
Mo21 O121 1.84(4) . ?
Mo21 O64 1.91(4) . ?
Mo21 O56 2.33(4) . ?
Mo23 O57 1.67(4) . ?
Mo23 O51 1.86(4) . ?
Mo23 O65 1.87(4) . ?
Mo23 O58 1.91(4) . ?
Mo23 O76 1.93(4) . ?
Mo23 O75 2.26(4) . ?
Mo27 O68 1.69(4) . ?
Mo27 O70 1.82(3) . ?
Mo27 O200 1.98(4) . ?
Mo27 O72 2.00(4) . ?
Mo27 O66 2.02(4) . ?
Mo27 O56 2.35(3) . ?
Mo30 O111 1.64(4) . ?
Mo30 O99 1.82(4) . ?
Mo30 O106 1.86(4) . ?
Mo30 O95 1.93(4) . ?
Mo30 O119 1.95(4) . ?
Mo30 O96 2.23(3) . ?
Mo32 O38 1.58(4) . ?
Mo32 O100 1.84(4) . ?
Mo32 O84 1.90(4) . ?
Mo32 O93 1.96(4) . ?
Mo32 O101 1.98(4) . ?
Mo32 O83 2.34(3) . ?
Mo33 O97 1.73(3) . ?
Mo33 O93 1.90(4) . ?
Mo33 O125 1.92(3) . ?
Mo33 O118 1.93(4) . ?
Mo33 O126 1.95(3) . ?
Mo33 O83 2.25(3) . ?
Mo34 O91 1.62(4) . ?
Mo34 O86 1.90(3) . ?
Mo34 O119 1.91(4) . ?
Mo34 O100 1.97(4) . ?
Mo34 O96 2.35(4) . ?
Mo36 O42 1.64(4) . ?
Mo36 O41 1.85(4) . ?
Mo36 O46 1.89(4) . ?
Mo36 O50 1.94(4) . ?
Mo36 O69 1.96(4) . ?
Mo36 O59 2.22(4) . ?
Mo37 O103 1.70(4) . ?
Mo37 O251 1.90(4) . ?
Mo37 O113 1.92(4) . ?
Mo37 O116 1.93(4) . ?
Mo37 O99 2.05(4) . ?
Mo37 O107 2.35(3) . ?
Mo38 O71 1.73(4) . ?
Mo38 O200 1.79(4) . ?
Mo38 O45 1.84(4) . ?
Mo38 O120 1.88(3) . ?
Mo38 O74 1.94(4) . ?
Mo38 O55 2.26(3) . ?
Mo40 O127 1.68(4) . ?
Mo40 O66 1.85(4) . ?
Mo40 O60 1.86(4) . ?
Mo40 O65 1.94(4) . ?
Mo40 O61 1.98(4) . ?
Mo40 O56 2.24(4) . ?
Mo41 O62 1.78(4) . ?
Mo41 O47 1.87(4) . ?
Mo41 O48 1.96(4) . ?
Mo41 O46 1.96(4) . ?
Mo41 O51 2.01(4) . ?
Mo41 O75 2.27(4) . ?
Mo42 O2 1.66(4) . ?
Mo42 O21 1.87(4) . ?
Mo42 O3 1.95(4) . ?
Mo42 O30 1.96(4) . ?
Mo42 O35 2.02(4) . ?
Mo42 O12 2.44(4) . ?
Mo44 O52 1.65(4) . ?
Mo44 O69 1.93(3) . ?
Mo44 O120 1.96(3) . ?
Mo44 O70 1.99(3) . ?
Mo44 O59 2.31(3) . ?
Mo45 O20 1.66(4) . ?
Mo45 O19 1.84(4) . ?
Mo45 O10 1.86(4) . ?
Mo45 O33 1.95(4) . ?
Mo45 O21 1.96(4) . ?
Mo45 O8 2.37(4) . ?
O8 Si78 1.62(4) . ?
O9 Si78 1.57(4) . ?
Si10 O96 1.65(4) . ?
Si10 O107 1.65(4) . ?
Si10 O83 1.66(4) . ?
Si10 O108 1.69(4) . ?
O12 Si78 1.60(4) . ?
O27 Si78 1.48(4) . ?
O55 Si77 1.78(4) . ?
O56 Si77 1.67(4) . ?
O59 Si77 1.72(4) . ?
O75 Si77 1.67(4) . ?
N1_1 C2_1 1.3900 . ?
N1_1 C6_1 1.3900 . ?
N1_1 Pd1_14 2.09(3) . ?
C2_1 C3_1 1.3900 . ?
C2_1 H2_1 0.9500 . ?
C3_1 C4_1 1.3900 . ?
C3_1 H3_1 0.9500 . ?
C4_1 C5_1 1.3900 . ?
C4_1 C9_1 1.45(4) . ?
C5_1 C6_1 1.3900 . ?
C5_1 H5_1 0.9500 . ?
C6_1 H6_1 0.9500 . ?
N13_1 C14_1 1.3900 . ?
N13_1 C18_1 1.3900 . ?
N13_1 Pd1_20 2.03(3) . ?
C14_1 C15_1 1.3900 . ?
C14_1 H14_1 0.9500 . ?
C15_1 C16_1 1.3900 . ?
C15_1 H15_1 0.9500 . ?
C16_1 C17_1 1.3900 . ?
C16_1 C7_1 1.42(4) . ?
C17_1 C18_1 1.3900 . ?
C17_1 H17_1 0.9500 . ?
C18_1 H18_1 0.9500 . ?
C7_1 N8_1 1.3900 . ?
C7_1 N12_1 1.3900 . ?
N8_1 C9_1 1.3900 . ?
C9_1 N10_1 1.3900 . ?
N10_1 C11_1 1.3900 . ?
C11_1 C22_1 1.32(4) . ?
C11_1 N12_1 1.3900 . ?
N19_1 C20_1 1.3900 . ?
N19_1 C24_1 1.3900 . ?
N19_1 C25_1 1.54(6) . ?
C20_1 C21_1 1.3900 . ?
C20_1 H20_1 0.9500 . ?
C21_1 C22_1 1.3900 . ?
C21_1 H21_1 0.9500 . ?
C22_1 C23_1 1.3900 . ?
C23_1 C24_1 1.3900 . ?
C23_1 H23_1 0.9500 . ?
C24_1 H24_1 0.9500 . ?
C25_1 C26_1 1.54(6) . ?
C25_1 H25A_1 0.9900 . ?
C25_1 H25B_1 0.9900 . ?
C26_1 C27_1 1.3900 . ?
C26_1 C31_1 1.3900 . ?
C27_1 C28_1 1.3900 . ?
C27_1 H27_1 0.9500 . ?
C28_1 C29_1 1.3900 . ?
C28_1 H28_1 0.9500 . ?
C29_1 C30_1 1.3900 . ?
C29_1 C32_1 1.60(6) . ?
C30_1 C31_1 1.3900 . ?
C30_1 H30_1 0.9500 . ?
C31_1 H31_1 0.9500 . ?
C32_1 N33_1 1.49(6) . ?
C32_1 H32A_1 0.9900 . ?
C32_1 H32B_1 0.9900 . ?
N33_1 C34_1 1.3900 . ?
N33_1 C38_1 1.3900 . ?
C34_1 C35_1 1.3900 . ?
C34_1 H34_1 0.9500 . ?
C35_1 C36_1 1.3900 . ?
C35_1 H35_1 0.9500 . ?
C36_1 C39_1 1.37(4) . ?
C36_1 C37_1 1.3900 . ?
C37_1 C38_1 1.3900 . ?
C37_1 H37_1 0.9500 . ?
C38_1 H38_1 0.9500 . ?
C39_1 N40_1 1.3900 . ?
C39_1 N44_1 1.3900 . ?
N40_1 C41_1 1.3900 . ?
C41_1 N42_1 1.3900 . ?
C41_1 C48_1 1.42(4) . ?
N42_1 C43_1 1.3900 . ?
C43_1 C54_1 1.36(3) . ?
C43_1 N44_1 1.3900 . ?
N45_1 C46_1 1.3900 . ?
N45_1 C50_1 1.3900 . ?
N45_1 Pd1_14 2.00(3) . ?
C46_1 C47_1 1.3900 . ?
C46_1 H46_1 0.9500 . ?
C47_1 C48_1 1.3900 . ?
C47_1 H47_1 0.9500 . ?
C48_1 C49_1 1.3900 . ?
C49_1 C50_1 1.3900 . ?
C49_1 H49_1 0.9500 . ?
C50_1 H50_1 0.9500 . ?
N51_1 C52_1 1.3900 . ?
N51_1 C56_1 1.3900 . ?
N51_1 Pd1_10 2.08(3) . ?
C52_1 C53_1 1.3900 . ?
C52_1 H52_1 0.9500 . ?
C53_1 C54_1 1.3900 . ?
C53_1 H53_1 0.9500 . ?
C54_1 C55_1 1.3900 . ?
C55_1 C56_1 1.3900 . ?
C55_1 H55_1 0.9500 . ?
C56_1 H56_1 0.9500 . ?
N1_2 C2_2 1.3900 . ?
N1_2 C6_2 1.3900 . ?
N1_2 Pd1_19 1.99(3) . ?
C2_2 C3_2 1.3900 . ?
C2_2 H2_2 0.9500 . ?
C3_2 C4_2 1.3900 . ?
C3_2 H3_2 0.9500 . ?
C4_2 C5_2 1.3900 . ?
C4_2 C7_2 1.46(4) . ?
C5_2 C6_2 1.3900 . ?
C5_2 H5_2 0.9500 . ?
C6_2 H6_2 0.9500 . ?
C7_2 N8_2 1.3900 . ?
C7_2 N12_2 1.3900 . ?
N8_2 C9_2 1.3900 . ?
C9_2 C22_2 1.26(4) . ?
C9_2 N10_2 1.3900 . ?
N10_2 C11_2 1.3900 . ?
C11_2 C16_2 1.38(4) . ?
C11_2 N12_2 1.3900 . ?
N13_2 C14_2 1.3900 . ?
N13_2 C18_2 1.3900 . ?
N13_2 Pd1_10 2.08(3) . ?
C14_2 C15_2 1.3900 . ?
C14_2 H14_2 0.9500 . ?
C15_2 C16_2 1.3900 . ?
C15_2 H15_2 0.9500 . ?
C16_2 C17_2 1.3900 . ?
C17_2 C18_2 1.3900 . ?
C17_2 H17_2 0.9500 . ?
C18_2 H18_2 0.9500 . ?
N19_2 C20_2 1.3900 . ?
N19_2 C24_2 1.3900 . ?
N19_2 C25_2 1.46(6) . ?
C20_2 C21_2 1.3900 . ?
C20_2 H20_2 0.9500 . ?
C21_2 C22_2 1.3900 . ?
C21_2 H21_2 0.9500 . ?
C22_2 C23_2 1.3900 . ?
C23_2 C24_2 1.3900 . ?
C23_2 H23_2 0.9500 . ?
C24_2 H24_2 0.9500 . ?
C25_2 C26_2 1.51(3) . ?
C25_2 H25A_2 0.9900 . ?
C25_2 H25B_2 0.9900 . ?
C26_2 C27_2 1.3900 . ?
C26_2 C31_2 1.3900 . ?
C27_2 C28_2 1.3900 . ?
C27_2 H27_2 0.9500 . ?
C28_2 C29_2 1.3900 . ?
C28_2 H28_2 0.9500 . ?
C29_2 C30_2 1.3900 . ?
C29_2 C32_2 1.51(7) . ?
C30_2 C31_2 1.3900 . ?
C30_2 H30_2 0.9500 . ?
C31_2 H31_2 0.9500 . ?
C32_2 N33_2 1.50(6) . ?
C32_2 H32A_2 0.9900 . ?
C32_2 H32B_2 0.9900 . ?
N33_2 C34_2 1.3900 . ?
N33_2 C38_2 1.3900 . ?
C34_2 C35_2 1.3900 . ?
C34_2 H34_2 0.9500 . ?
C35_2 C36_2 1.3900 . ?
C35_2 H35_2 0.9500 . ?
C36_2 C37_2 1.3900 . ?
C36_2 C39_2 1.40(4) . ?
C37_2 C38_2 1.3900 . ?
C37_2 H37_2 0.9500 . ?
C38_2 H38_2 0.9500 . ?
C39_2 N40_2 1.3900 . ?
C39_2 N44_2 1.3900 . ?
N40_2 C41_2 1.3900 . ?
C41_2 C48_2 1.30(4) . ?
C41_2 N42_2 1.3900 . ?
N42_2 C43_2 1.3900 . ?
C43_2 N44_2 1.3900 . ?
C43_2 C54_2 1.45(4) . ?
N45_2 C46_2 1.3900 . ?
N45_2 C50_2 1.3900 . ?
N45_2 Pd1_20 2.10(3) . ?
C46_2 C47_2 1.3900 . ?
C46_2 H46_2 0.9500 . ?
C47_2 C48_2 1.3900 . ?
C47_2 H47_2 0.9500 . ?
C48_2 C49_2 1.3900 . ?
C49_2 C50_2 1.3900 . ?
C49_2 H49_2 0.9500 . ?
C50_2 H50_2 0.9500 . ?
N51_2 C52_2 1.3900 . ?
N51_2 C56_2 1.3900 . ?
N51_2 Pd1_19 2.01(3) . ?
C52_2 C53_2 1.3900 . ?
C52_2 H52_2 0.9500 . ?
C53_2 C54_2 1.3900 . ?
C53_2 H53_2 0.9500 . ?
C54_2 C55_2 1.3900 . ?
C55_2 C56_2 1.3900 . ?
C55_2 H55_2 0.9500 . ?
C56_2 H56_2 0.9500 . ?
N1_3 C2_3 1.3900 . ?
N1_3 C6_3 1.3900 . ?
N1_3 Pd1_13 2.04(3) . ?
C2_3 C3_3 1.3900 . ?
C2_3 H2_3 0.9500 . ?
C3_3 C4_3 1.3900 . ?
C3_3 H3_3 0.9500 . ?
C4_3 C5_3 1.3900 . ?
C4_3 C7_3 1.40(3) . ?
C5_3 C6_3 1.3900 . ?
C5_3 H5_3 0.9500 . ?
C6_3 H6_3 0.9500 . ?
N13_3 C14_3 1.3900 . ?
N13_3 C18_3 1.3900 . ?
N13_3 C25_3 1.50(3) . ?
C14_3 C15_3 1.3900 . ?
C14_3 H14_3 0.9500 . ?
C15_3 C16_3 1.3900 . ?
C15_3 H15_3 0.9500 . ?
C16_3 C17_3 1.3900 . ?
C16_3 C11_3 1.44(3) . ?
C17_3 C18_3 1.3900 . ?
C17_3 H17_3 0.9500 . ?
C18_3 H18_3 0.9500 . ?
N19_3 C20_3 1.3900 . ?
N19_3 C24_3 1.3900 . ?
N19_3 Pd1_16 2.036(12) . ?
C20_3 C21_3 1.3900 . ?
C20_3 H20_3 0.9500 . ?
C21_3 C22_3 1.3900 . ?
C21_3 H21_3 0.9500 . ?
C22_3 C23_3 1.3900 . ?
C22_3 C9_3 1.40(3) . ?
C23_3 C24_3 1.3900 . ?
C23_3 H23_3 0.9500 . ?
C24_3 H24_3 0.9500 . ?
C7_3 N8_3 1.3900 . ?
C7_3 N12_3 1.3900 . ?
N8_3 C9_3 1.3900 . ?
C9_3 N10_3 1.3900 . ?
N10_3 C11_3 1.3900 . ?
C11_3 N12_3 1.3900 . ?
C26_3 C27_3 1.3900 . ?
C26_3 C31_3 1.3900 . ?
C26_3 C25_3 1.45(6) . ?
C27_3 C28_3 1.3900 . ?
C27_3 H27_3 0.9500 . ?
C28_3 C29_3 1.3900 . ?
C28_3 H28_3 0.9500 . ?
C29_3 C30_3 1.3900 . ?
C29_3 C32_5 1.47(6) . ?
C30_3 C31_3 1.3900 . ?
C30_3 H30_3 0.9500 . ?
C31_3 H31_3 0.9500 . ?
N33_3 C34_3 1.3900 . ?
N33_3 C38_3 1.3900 . ?
N33_3 C32_5 1.50(6) . ?
C34_3 C35_3 1.3900 . ?
C34_3 H34_3 0.9500 . ?
C35_3 C36_3 1.3900 . ?
C35_3 H35_3 0.9500 . ?
C36_3 C37_3 1.3900 . ?
C36_3 C39_3 1.41(4) . ?
C37_3 C38_3 1.3900 . ?
C37_3 H37_3 0.9500 . ?
C38_3 H38_3 0.9500 . ?
C39_3 N40_3 1.3900 . ?
C39_3 N44_3 1.3900 . ?
N40_3 C41_3 1.3900 . ?
C41_3 N42_3 1.3900 . ?
C41_3 C54_3 1.41(4) . ?
N42_3 C43_3 1.3900 . ?
C43_3 C48_6 1.36(4) . ?
C43_3 N44_3 1.3900 . ?
N51_3 C52_3 1.3900 . ?
N51_3 C56_3 1.3900 . ?
N51_3 Pd1_16 2.016(13) . ?
C52_3 C53_3 1.3900 . ?
C52_3 H52_3 0.9500 . ?
C53_3 C54_3 1.3900 . ?
C53_3 H53_3 0.9500 . ?
C54_3 C55_3 1.3900 . ?
C55_3 C56_3 1.3900 . ?
C55_3 H55_3 0.9500 . ?
C56_3 H56_3 0.9500 . ?
C25_3 H25A_3 0.9900 . ?
C25_3 H25B_3 0.9900 . ?
N1_4 C2_4 1.3900 . ?
N1_4 C6_4 1.3900 . ?
N1_4 Pd1_9 2.06(3) . ?
C2_4 C3_4 1.3900 . ?
C2_4 H2_4 0.9500 . ?
C3_4 C4_4 1.3900 . ?
C3_4 H3_4 0.9500 . ?
C4_4 N8_4 1.38(3) . ?
C4_4 C5_4 1.3900 . ?
C5_4 C6_4 1.3900 . ?
C5_4 H5_4 0.9500 . ?
C6_4 H6_4 0.9500 . ?
C7_4 N8_4 1.3900 . ?
C7_4 N12_4 1.3900 . ?
N8_4 C9_4 1.3900 . ?
C9_4 N10_4 1.3900 . ?
N10_4 C11_4 1.3900 . ?
N10_4 C22_4 1.56(6) . ?
C11_4 N12_4 1.3900 . ?
N12_4 C16_4 1.42(4) . ?
N13_4 C14_4 1.3900 . ?
N13_4 C18_4 1.3900 . ?
N13_4 Pd1_11 1.97(3) . ?
C14_4 C15_4 1.3900 . ?
C14_4 H14_4 0.9500 . ?
C15_4 C16_4 1.3900 . ?
C15_4 H15_4 0.9500 . ?
C16_4 C17_4 1.3900 . ?
C17_4 C18_4 1.3900 . ?
C17_4 H17_4 0.9500 . ?
C18_4 H18_4 0.9500 . ?
N19_4 C24_4 1.33(6) . ?
N19_4 C20_4 1.40(6) . ?
N19_4 C25_4 1.60(7) . ?
C20_4 C21_4 1.40(7) . ?
C20_4 H20_4 0.9500 . ?
C21_4 C22_4 1.29(7) . ?
C21_4 H21_4 0.9500 . ?
C22_4 C23_4 1.37(7) . ?
C23_4 C24_4 1.32(7) . ?
C23_4 H23_4 0.9500 . ?
C24_4 H24_4 0.9500 . ?
C25_4 C26_4 1.43(7) . ?
C25_4 H25A_4 0.9900 . ?
C25_4 H25B_4 0.9900 . ?
C26_4 C31_4 1.38(7) . ?
C26_4 C27_4 1.40(7) . ?
C27_4 C28_4 1.37(6) . ?
C27_4 H27_4 0.9500 . ?
C28_4 C29_4 1.29(6) . ?
C28_4 H28_4 0.9500 . ?
C29_4 C30_4 1.47(7) . ?
C29_4 C32_4 1.51(7) . ?
C30_4 C31_4 1.39(6) . ?
C30_4 H30_4 0.9500 . ?
C31_4 H31_4 0.9500 . ?
C32_4 N33_4 1.55(7) . ?
C32_4 H32A_4 0.9900 . ?
C32_4 H32B_4 0.9900 . ?
N33_4 C38_4 1.43(6) . ?
N33_4 C34_4 1.49(6) . ?
C34_4 C35_4 1.28(7) . ?
C34_4 H34_4 0.9500 . ?
C35_4 C36_4 1.42(7) . ?
C35_4 H35_4 0.9500 . ?
C36_4 C39_4 1.32(6) . ?
C36_4 C37_4 1.48(7) . ?
C37_4 C38_4 1.37(7) . ?
C37_4 H37_4 0.9500 . ?
C38_4 H38_4 0.9500 . ?
C39_4 N40_4 1.3900 . ?
C39_4 N44_4 1.3900 . ?
N40_4 C41_4 1.3900 . ?
C41_4 N42_4 1.3900 . ?
C41_4 C48_4 1.39(7) . ?
N42_4 C43_4 1.3900 . ?
C43_4 N44_4 1.3900 . ?
C43_4 C54_4 1.43(7) . ?
N45_4 C46_4 1.43(8) . ?
N45_4 C50_4 1.47(8) . ?
N45_4 Pd1_18 2.11(5) . ?
C46_4 C47_4 1.47(8) . ?
C46_4 H46_4 0.9500 . ?
C47_4 C48_4 1.31(8) . ?
C47_4 H47_4 0.9500 . ?
C48_4 C49_4 1.47(9) . ?
C49_4 C50_4 1.28(7) . ?
C49_4 H49_4 0.9500 . ?
C50_4 H50_4 0.9500 . ?
N51_4 C56_4 1.39(8) . ?
N51_4 C52_4 1.43(8) . ?
N51_4 Pd1_9 2.19(5) . ?
C52_4 C53_4 1.49(8) . ?
C52_4 H52_4 0.9500 . ?
C53_4 C54_4 1.34(8) . ?
C53_4 H53_4 0.9500 . ?
C54_4 C55_4 1.50(9) . ?
C55_4 C56_4 1.44(8) . ?
C55_4 H55_4 0.9500 . ?
C56_4 H56_4 0.9500 . ?
N1_5 C2_5 1.3900 . ?
N1_5 C6_5 1.3900 . ?
N1_5 Pd1_8 2.06(3) . ?
C2_5 C3_5 1.3900 . ?
C2_5 H2_5 0.9500 . ?
C3_5 C4_5 1.3900 . ?
C3_5 H3_5 0.9500 . ?
C4_5 C7_5 1.29(4) . ?
C4_5 C5_5 1.3900 . ?
C5_5 C6_5 1.3900 . ?
C5_5 H5_5 0.9500 . ?
C6_5 H6_5 0.9500 . ?
C7_5 N8_5 1.3900 . ?
C7_5 N12_5 1.3900 . ?
N8_5 C9_5 1.3900 . ?
C9_5 N10_5 1.3900 . ?
C9_5 C16_5 1.43(4) . ?
N10_5 C11_5 1.3900 . ?
C11_5 C22_5 1.39(4) . ?
C11_5 N12_5 1.3900 . ?
N13_5 C14_5 1.3900 . ?
N13_5 C18_5 1.3900 . ?
N13_5 Pd1_18 1.99(3) . ?
C14_5 C15_5 1.3900 . ?
C14_5 H14_5 0.9500 . ?
C15_5 C16_5 1.3900 . ?
C15_5 H15_5 0.9500 . ?
C16_5 C17_5 1.3900 . ?
C17_5 C18_5 1.3900 . ?
C17_5 H17_5 0.9500 . ?
C18_5 H18_5 0.9500 . ?
N19_5 C20_5 1.3900 . ?
N19_5 C24_5 1.3900 . ?
N19_5 C25_5 1.47(3) . ?
C20_5 C21_5 1.3900 . ?
C20_5 H20_5 0.9500 . ?
C21_5 C22_5 1.3900 . ?
C21_5 H21_5 0.9500 . ?
C22_5 C23_5 1.3900 . ?
C23_5 C24_5 1.3900 . ?
C23_5 H23_5 0.9500 . ?
C24_5 H24_5 0.9500 . ?
C25_5 C26_5 1.61(7) . ?
C25_5 H25A_5 0.9900 . ?
C25_5 H25B_5 0.9900 . ?
C26_5 C27_5 1.3900 . ?
C26_5 C31_5 1.3900 . ?
C27_5 C28_5 1.3900 . ?
C27_5 H27_5 0.9500 . ?
C28_5 C29_5 1.3900 . ?
C28_5 H28_5 0.9500 . ?
C29_5 C30_5 1.3900 . ?
C29_5 C32_6 1.402(17) . ?
C30_5 C31_5 1.3900 . ?
C30_5 H30_5 0.9500 . ?
C31_5 H31_5 0.9500 . ?
C32_5 H32A_5 0.9900 . ?
C32_5 H32B_5 0.9900 . ?
N33_5 C34_5 1.3900 . ?
N33_5 C38_5 1.3900 . ?
N33_5 C32_6 1.55(7) . ?
C34_5 C35_5 1.3900 . ?
C34_5 H34_5 0.9500 . ?
C35_5 C36_5 1.3900 . ?
C35_5 H35_5 0.9500 . ?
C36_5 C39_5 1.34(4) . ?
C36_5 C37_5 1.3900 . ?
C37_5 C38_5 1.3900 . ?
C37_5 H37_5 0.9500 . ?
C38_5 H38_5 0.9500 . ?
C39_5 N40_5 1.3900 . ?
C39_5 N44_5 1.3900 . ?
N40_5 C41_5 1.3900 . ?
C41_5 C54_5 1.26(4) . ?
C41_5 N42_5 1.3900 . ?
N42_5 C43_5 1.3900 . ?
C43_5 N44_5 1.3900 . ?
C43_5 C46_5 1.50(4) . ?
N51_5 C52_5 1.3900 . ?
N51_5 C56_5 1.3900 . ?
N51_5 Pd1_8 2.12(3) . ?
C52_5 C53_5 1.3900 . ?
C52_5 H52_5 0.9500 . ?
C53_5 C54_5 1.3900 . ?
C53_5 H53_5 0.9500 . ?
C54_5 C55_5 1.3900 . ?
C55_5 C56_5 1.3900 . ?
C55_5 H55_5 0.9500 . ?
C56_5 H56_5 0.9500 . ?
N43_5 C44_5 1.3900 . ?
N43_5 C48_5 1.3900 . ?
N43_5 Pd1_11 1.97(2) . ?
C44_5 C45_5 1.3900 . ?
C44_5 H44_5 0.9500 . ?
C45_5 C46_5 1.3900 . ?
C45_5 H45_5 0.9500 . ?
C46_5 C47_5 1.3900 . ?
C47_5 C48_5 1.3900 . ?
C47_5 H47_5 0.9500 . ?
C48_5 H48_5 0.9500 . ?
N45_6 C46_6 1.3900 . ?
N45_6 C50_6 1.3900 . ?
N45_6 Pd1_17 2.08(3) . ?
C46_6 C47_6 1.3900 . ?
C46_6 H46_6 0.9500 . ?
C47_6 C48_6 1.3900 . ?
C47_6 H47_6 0.9500 . ?
C48_6 C49_6 1.3900 . ?
C49_6 C50_6 1.3900 . ?
C49_6 H49_6 0.9500 . ?
C50_6 H50_6 0.9500 . ?
C32_6 H32A_6 0.9900 . ?
C32_6 H32B_6 0.9900 . ?
N1_7 C2_7 1.3900 . ?
N1_7 C6_7 1.3900 . ?
N1_7 Pd1_12 2.03(3) . ?
C2_7 C3_7 1.3900 . ?
C2_7 H2_7 0.9500 . ?
C3_7 C4_7 1.3900 . ?
C3_7 H3_7 0.9500 . ?
C4_7 N8_7 1.29(4) . ?
C4_7 C5_7 1.3900 . ?
C5_7 C6_7 1.3900 . ?
C5_7 H5_7 0.9500 . ?
C6_7 H6_7 0.9500 . ?
C7_7 N8_7 1.3900 . ?
C7_7 N12_7 1.3900 . ?
N8_7 C9_7 1.3900 . ?
C9_7 N10_7 1.3900 . ?
N10_7 C11_7 1.3900 . ?
N10_7 C22_7 1.42(4) . ?
C11_7 N12_7 1.3900 . ?
N12_7 C16_7 1.42(4) . ?
N13_7 C14_7 1.3900 . ?
N13_7 C18_7 1.3900 . ?
N13_7 Pd1_17 1.99(3) . ?
C14_7 C15_7 1.3900 . ?
C14_7 H14_7 0.9500 . ?
C15_7 C16_7 1.3900 . ?
C15_7 H15_7 0.9500 . ?
C16_7 C17_7 1.3900 . ?
C17_7 C18_7 1.3900 . ?
C17_7 H17_7 0.9500 . ?
C18_7 H18_7 0.9500 . ?
N19_7 C20_7 1.3900 . ?
N19_7 C24_7 1.3900 . ?
N19_7 C25_7 1.44(6) . ?
C20_7 C21_7 1.3900 . ?
C20_7 H20_7 0.9500 . ?
C21_7 C22_7 1.3900 . ?
C21_7 H21_7 0.9500 . ?
C22_7 C23_7 1.3900 . ?
C23_7 C24_7 1.3900 . ?
C23_7 H23_7 0.9500 . ?
C24_7 H24_7 0.9500 . ?
C25_7 C26_7 1.66(6) . ?
C25_7 H25A_7 0.9900 . ?
C25_7 H25B_7 0.9900 . ?
C26_7 C27_7 1.3900 . ?
C26_7 C31_7 1.3900 . ?
C27_7 C28_7 1.3900 . ?
C27_7 H27_7 0.9500 . ?
C28_7 C29_7 1.3900 . ?
C28_7 H28_7 0.9500 . ?
C29_7 C32_7 1.36(6) . ?
C29_7 C30_7 1.3900 . ?
C30_7 C31_7 1.3900 . ?
C30_7 H30_7 0.9500 . ?
C31_7 H31_7 0.9500 . ?
C32_7 N33_7 1.49(3) . ?
C32_7 H32A_7 0.9900 . ?
C32_7 H32B_7 0.9900 . ?
N33_7 C34_7 1.3900 . ?
N33_7 C38_7 1.3900 . ?
C34_7 C35_7 1.3900 . ?
C34_7 H34_7 0.9500 . ?
C35_7 C36_7 1.3900 . ?
C35_7 H35_7 0.9500 . ?
C36_7 C37_7 1.3900 . ?
C36_7 C39_7 1.42(4) . ?
C37_7 C38_7 1.3900 . ?
C37_7 H37_7 0.9500 . ?
C38_7 H38_7 0.9500 . ?
C39_7 N40_7 1.3900 . ?
C39_7 N44_7 1.3900 . ?
N40_7 C41_7 1.3900 . ?
C41_7 C48_7 1.33(3) . ?
C41_7 N42_7 1.3900 . ?
N42_7 C43_7 1.3900 . ?
C43_7 N44_7 1.3900 . ?
C43_7 C54_7 1.43(3) . ?
N45_7 C50_7 1.3900 . ?
N45_7 C46_7 1.3900 . ?
N45_7 Pd1_13 2.05(3) . ?
C46_7 C47_7 1.3900 . ?
C46_7 H46_7 0.9500 . ?
C47_7 C48_7 1.3900 . ?
C47_7 H47_7 0.9500 . ?
C48_7 C49_7 1.3900 . ?
C49_7 C50_7 1.3900 . ?
C49_7 H49_7 0.9500 . ?
C50_7 H50_7 0.9500 . ?
N51_7 C52_7 1.3900 . ?
N51_7 C56_7 1.3900 . ?
N51_7 Pd1_12 1.99(3) . ?
C52_7 C53_7 1.3900 . ?
C52_7 H52_7 0.9500 . ?
C53_7 C54_7 1.3900 . ?
C53_7 H53_7 0.9500 . ?
C54_7 C55_7 1.3900 . ?
C55_7 C56_7 1.3900 . ?
C55_7 H55_7 0.9500 . ?
C56_7 H56_7 0.9500 . ?
Pd1_8 N6_8 2.14(4) . ?
Pd1_8 N3_8 2.20(4) . ?
C1_8 N3_8 1.54(2) . ?
C1_8 H1A_8 0.9800 . ?
C1_8 H1B_8 0.9800 . ?
C1_8 H1C_8 0.9800 . ?
C2_8 N3_8 1.54(2) . ?
C2_8 H2A_8 0.9800 . ?
C2_8 H2B_8 0.9800 . ?
C2_8 H2C_8 0.9800 . ?
N3_8 C4_8 1.51(2) . ?
C4_8 C5_8 1.51(2) . ?
C4_8 H4A_8 0.9900 . ?
C4_8 H4B_8 0.9900 . ?
C5_8 N6_8 1.50(2) . ?
C5_8 H5A_8 0.9900 . ?
C5_8 H5B_8 0.9900 . ?
N6_8 C8_8 1.53(2) . ?
N6_8 C7_8 1.53(2) . ?
C7_8 H7A_8 0.9800 . ?
C7_8 H7B_8 0.9800 . ?
C7_8 H7C_8 0.9800 . ?
C8_8 H8A_8 0.9800 . ?
C8_8 H8B_8 0.9800 . ?
C8_8 H8C_8 0.9800 . ?
Pd1_9 N6_9 2.02(4) . ?
Pd1_9 N3_9 2.17(4) . ?
C1_9 N3_9 1.55(2) . ?
C1_9 H1A_9 0.9800 . ?
C1_9 H1B_9 0.9800 . ?
C1_9 H1C_9 0.9800 . ?
C2_9 N3_9 1.53(2) . ?
C2_9 H2A_9 0.9800 . ?
C2_9 H2B_9 0.9800 . ?
C2_9 H2C_9 0.9800 . ?
N3_9 C4_9 1.53(2) . ?
C4_9 C5_9 1.50(3) . ?
C4_9 H4A_9 0.9900 . ?
C4_9 H4B_9 0.9900 . ?
C5_9 N6_9 1.52(2) . ?
C5_9 H5A_9 0.9900 . ?
C5_9 H5B_9 0.9900 . ?
N6_9 C7_9 1.52(2) . ?
N6_9 C8_9 1.52(2) . ?
C7_9 H7A_9 0.9800 . ?
C7_9 H7B_9 0.9800 . ?
C7_9 H7C_9 0.9800 . ?
C8_9 H8A_9 0.9800 . ?
C8_9 H8B_9 0.9800 . ?
C8_9 H8C_9 0.9800 . ?
Pd1_10 N3_10 2.10(3) . ?
Pd1_10 N6_10 2.11(3) . ?
C1_10 N3_10 1.54(2) . ?
C1_10 H1A_10 0.9800 . ?
C1_10 H1B_10 0.9800 . ?
C1_10 H1C_10 0.9800 . ?
C2_10 N3_10 1.51(2) . ?
C2_10 H2A_10 0.9800 . ?
C2_10 H2B_10 0.9800 . ?
C2_10 H2C_10 0.9800 . ?
N3_10 C4_10 1.53(2) . ?
C4_10 C5_10 1.50(2) . ?
C4_10 H4A_10 0.9900 . ?
C4_10 H4B_10 0.9900 . ?
C5_10 N6_10 1.51(2) . ?
C5_10 H5A_10 0.9900 . ?
C5_10 H5B_10 0.9900 . ?
N6_10 C8_10 1.51(2) . ?
N6_10 C7_10 1.52(2) . ?
C7_10 H7A_10 0.9800 . ?
C7_10 H7B_10 0.9800 . ?
C7_10 H7C_10 0.9800 . ?
C8_10 H8A_10 0.9800 . ?
C8_10 H8B_10 0.9800 . ?
C8_10 H8C_10 0.9800 . ?
Pd1_11 N3_11 2.09(4) . ?
Pd1_11 N6_11 2.13(4) . ?
C1_11 N3_11 1.54(2) . ?
C1_11 H1A_11 0.9800 . ?
C1_11 H1B_11 0.9800 . ?
C1_11 H1C_11 0.9800 . ?
C2_11 N3_11 1.54(2) . ?
C2_11 H2A_11 0.9800 . ?
C2_11 H2B_11 0.9800 . ?
C2_11 H2C_11 0.9800 . ?
N3_11 C4_11 1.53(2) . ?
C4_11 C5_11 1.49(3) . ?
C4_11 H4A_11 0.9900 . ?
C4_11 H4B_11 0.9900 . ?
C5_11 N6_11 1.52(2) . ?
C5_11 H5A_11 0.9900 . ?
C5_11 H5B_11 0.9900 . ?
N6_11 C8_11 1.52(2) . ?
N6_11 C7_11 1.52(2) . ?
C7_11 H7A_11 0.9800 . ?
C7_11 H7B_11 0.9800 . ?
C7_11 H7C_11 0.9800 . ?
C8_11 H8A_11 0.9800 . ?
C8_11 H8B_11 0.9800 . ?
C8_11 H8C_11 0.9800 . ?
Pd1_12 N6_12 2.13(4) . ?
Pd1_12 N3_12 2.15(4) . ?
C1_12 N3_12 1.52(2) . ?
C1_12 H1A_12 0.9800 . ?
C1_12 H1B_12 0.9800 . ?
C1_12 H1C_12 0.9800 . ?
C2_12 N3_12 1.54(2) . ?
C2_12 H2A_12 0.9800 . ?
C2_12 H2B_12 0.9800 . ?
C2_12 H2C_12 0.9800 . ?
N3_12 C4_12 1.53(2) . ?
C4_12 C5_12 1.49(3) . ?
C4_12 H4A_12 0.9900 . ?
C4_12 H4B_12 0.9900 . ?
C5_12 N6_12 1.52(2) . ?
C5_12 H5A_12 0.9900 . ?
C5_12 H5B_12 0.9900 . ?
N6_12 C7_12 1.51(3) . ?
N6_12 C8_12 1.53(2) . ?
C7_12 H7A_12 0.9800 . ?
C7_12 H7B_12 0.9800 . ?
C7_12 H7C_12 0.9800 . ?
C8_12 H8A_12 0.9800 . ?
C8_12 H8B_12 0.9800 . ?
C8_12 H8C_12 0.9800 . ?
Pd1_13 N6_13 2.14(4) . ?
Pd1_13 N3_13 2.15(4) . ?
C1_13 N3_13 1.53(2) . ?
C1_13 H1A_13 0.9800 . ?
C1_13 H1B_13 0.9800 . ?
C1_13 H1C_13 0.9800 . ?
C2_13 N3_13 1.54(2) . ?
C2_13 H2A_13 0.9800 . ?
C2_13 H2B_13 0.9800 . ?
C2_13 H2C_13 0.9800 . ?
N3_13 C4_13 1.53(2) . ?
C4_13 C5_13 1.47(3) . ?
C4_13 H4A_13 0.9900 . ?
C4_13 H4B_13 0.9900 . ?
C5_13 N6_13 1.50(2) . ?
C5_13 H5A_13 0.9900 . ?
C5_13 H5B_13 0.9900 . ?
N6_13 C7_13 1.51(2) . ?
N6_13 C8_13 1.53(2) . ?
C7_13 H7A_13 0.9800 . ?
C7_13 H7B_13 0.9800 . ?
C7_13 H7C_13 0.9800 . ?
C8_13 H8A_13 0.9800 . ?
C8_13 H8B_13 0.9800 . ?
C8_13 H8C_13 0.9800 . ?
Pd1_14 N6_14 2.11(5) . ?
Pd1_14 N3_14 2.20(5) . ?
C1_14 N3_14 1.54(2) . ?
C1_14 H1A_14 0.9800 . ?
C1_14 H1B_14 0.9800 . ?
C1_14 H1C_14 0.9800 . ?
C2_14 N3_14 1.53(3) . ?
C2_14 H2A_14 0.9800 . ?
C2_14 H2B_14 0.9800 . ?
C2_14 H2C_14 0.9800 . ?
N3_14 C4_14 1.50(2) . ?
C4_14 C5_14 1.51(2) . ?
C4_14 H4A_14 0.9900 . ?
C4_14 H4B_14 0.9900 . ?
C5_14 N6_14 1.51(2) . ?
C5_14 H5A_14 0.9900 . ?
C5_14 H5B_14 0.9900 . ?
N6_14 C7_14 1.53(2) . ?
N6_14 C8_14 1.53(3) . ?
C7_14 H7A_14 0.9800 . ?
C7_14 H7B_14 0.9800 . ?
C7_14 H7C_14 0.9800 . ?
C8_14 H8A_14 0.9800 . ?
C8_14 H8B_14 0.9800 . ?
C8_14 H8C_14 0.9800 . ?
Pd1_16 N6_16 2.014(13) . ?
Pd1_16 N3_16 2.033(13) . ?
C1_16 N3_16 1.55(2) . ?
C1_16 H1A_16 0.9800 . ?
C1_16 H1B_16 0.9800 . ?
C1_16 H1C_16 0.9800 . ?
C2_16 N3_16 1.54(2) . ?
C2_16 H2A_16 0.9800 . ?
C2_16 H2B_16 0.9800 . ?
C2_16 H2C_16 0.9800 . ?
N3_16 C4_16 1.51(2) . ?
C4_16 C5_16 1.50(3) . ?
C4_16 H4A_16 0.9900 . ?
C4_16 H4B_16 0.9900 . ?
C5_16 N6_16 1.54(2) . ?
C5_16 H5A_16 0.9900 . ?
C5_16 H5B_16 0.9900 . ?
N6_16 C8_16 1.51(2) . ?
N6_16 C7_16 1.52(2) . ?
C7_16 H7A_16 0.9800 . ?
C7_16 H7B_16 0.9800 . ?
C7_16 H7C_16 0.9800 . ?
C8_16 H8A_16 0.9800 . ?
C8_16 H8B_16 0.9800 . ?
C8_16 H8C_16 0.9800 . ?
Pd1_17 N6_17 2.15(3) . ?
Pd1_17 N3_17 2.17(3) . ?
C1_17 N3_17 1.53(2) . ?
C1_17 H1A_17 0.9800 . ?
C1_17 H1B_17 0.9800 . ?
C1_17 H1C_17 0.9800 . ?
C2_17 N3_17 1.54(2) . ?
C2_17 H2A_17 0.9800 . ?
C2_17 H2B_17 0.9800 . ?
C2_17 H2C_17 0.9800 . ?
N3_17 C4_17 1.53(2) . ?
C4_17 C5_17 1.50(3) . ?
C4_17 H4A_17 0.9900 . ?
C4_17 H4B_17 0.9900 . ?
C5_17 N6_17 1.52(2) . ?
C5_17 H5A_17 0.9900 . ?
C5_17 H5B_17 0.9900 . ?
N6_17 C8_17 1.52(2) . ?
N6_17 C7_17 1.52(2) . ?
C7_17 H7A_17 0.9800 . ?
C7_17 H7B_17 0.9800 . ?
C7_17 H7C_17 0.9800 . ?
C8_17 H8A_17 0.9800 . ?
C8_17 H8B_17 0.9800 . ?
C8_17 H8C_17 0.9800 . ?
Pd1_18 N3_18 2.13(4) . ?
Pd1_18 N6_18 2.18(4) . ?
C1_18 N3_18 1.52(2) . ?
C1_18 H1A_18 0.9800 . ?
C1_18 H1B_18 0.9800 . ?
C1_18 H1C_18 0.9800 . ?
C2_18 N3_18 1.53(2) . ?
C2_18 H2A_18 0.9800 . ?
C2_18 H2B_18 0.9800 . ?
C2_18 H2C_18 0.9800 . ?
N3_18 C4_18 1.54(2) . ?
C4_18 C5_18 1.50(3) . ?
C4_18 H4A_18 0.9900 . ?
C4_18 H4B_18 0.9900 . ?
C5_18 N6_18 1.53(2) . ?
C5_18 H5A_18 0.9900 . ?
C5_18 H5B_18 0.9900 . ?
N6_18 C8_18 1.52(2) . ?
N6_18 C7_18 1.52(2) . ?
C7_18 H7A_18 0.9800 . ?
C7_18 H7B_18 0.9800 . ?
C7_18 H7C_18 0.9800 . ?
C8_18 H8A_18 0.9800 . ?
C8_18 H8B_18 0.9800 . ?
C8_18 H8C_18 0.9800 . ?
Pd1_19 N6_19 1.99(4) . ?
Pd1_19 N3_19 2.08(4) . ?
C1_19 N3_19 1.53(2) . ?
C1_19 H1A_19 0.9800 . ?
C1_19 H1B_19 0.9800 . ?
C1_19 H1C_19 0.9800 . ?
C2_19 N3_19 1.54(2) . ?
C2_19 H2A_19 0.9800 . ?
C2_19 H2B_19 0.9800 . ?
C2_19 H2C_19 0.9800 . ?
N3_19 C4_19 1.53(2) . ?
C4_19 C5_19 1.48(3) . ?
C4_19 H4A_19 0.9900 . ?
C4_19 H4B_19 0.9900 . ?
C5_19 N6_19 1.51(2) . ?
C5_19 H5A_19 0.9900 . ?
C5_19 H5B_19 0.9900 . ?
N6_19 C7_19 1.52(3) . ?
N6_19 C8_19 1.54(2) . ?
C7_19 H7A_19 0.9800 . ?
C7_19 H7B_19 0.9800 . ?
C7_19 H7C_19 0.9800 . ?
C8_19 H8A_19 0.9800 . ?
C8_19 H8B_19 0.9800 . ?
C8_19 H8C_19 0.9800 . ?
Pd1_20 N6_20 2.03(3) . ?
Pd1_20 N3_20 2.03(3) . ?
C1_20 N3_20 1.54(2) . ?
C1_20 H1A_20 0.9800 . ?
C1_20 H1B_20 0.9800 . ?
C1_20 H1C_20 0.9800 . ?
C2_20 N3_20 1.53(3) . ?
C2_20 H2A_20 0.9800 . ?
C2_20 H2B_20 0.9800 . ?
C2_20 H2C_20 0.9800 . ?
N3_20 C4_20 1.53(2) . ?
C4_20 C5_20 1.55(3) . ?
C4_20 H4A_20 0.9900 . ?
C4_20 H4B_20 0.9900 . ?
C5_20 N6_20 1.54(5) . ?
C5_20 H5A_20 0.9900 . ?
C5_20 H5B_20 0.9900 . ?
N6_20 C8_20 1.55(5) . ?
N6_20 C7_20 1.55(5) . ?
C7_20 H7A_20 0.9800 . ?
C7_20 H7B_20 0.9800 . ?
C7_20 H7C_20 0.9800 . ?
C8_20 H8A_20 0.9800 . ?
C8_20 H8B_20 0.9800 . ?
C8_20 H8C_20 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Mo9 O1 Mo44 124.4(12) . . ?
O6 Mo4 O4 105.2(16) . . ?
O6 Mo4 O128 97.3(16) . . ?
O4 Mo4 O128 157.5(16) . . ?
O6 Mo4 O24 96.2(17) . . ?
O4 Mo4 O24 88.4(16) . . ?
O128 Mo4 O24 88.1(17) . . ?
O6 Mo4 O34 103.8(17) . . ?
O4 Mo4 O34 89.9(17) . . ?
O128 Mo4 O34 85.8(17) . . ?
O24 Mo4 O34 159.6(15) . . ?
O6 Mo4 O27 169.7(16) . . ?
O4 Mo4 O27 76.7(14) . . ?
O128 Mo4 O27 81.0(14) . . ?
O24 Mo4 O27 73.6(14) . . ?
O34 Mo4 O27 86.2(14) . . ?
O25 Mo7 O22 104.6(17) . . ?
O25 Mo7 O11 102.1(17) . . ?
O22 Mo7 O11 93.3(17) . . ?
O25 Mo7 O13 96.5(17) . . ?
O22 Mo7 O13 89.3(17) . . ?
O11 Mo7 O13 159.9(16) . . ?
O25 Mo7 O4 101.1(16) . . ?
O22 Mo7 O4 154.3(15) . . ?
O11 Mo7 O4 83.3(15) . . ?
O13 Mo7 O4 85.8(15) . . ?
O25 Mo7 O27 169.0(16) . . ?
O22 Mo7 O27 82.8(14) . . ?
O11 Mo7 O27 85.3(14) . . ?
O13 Mo7 O27 75.2(14) . . ?
O4 Mo7 O27 71.5(12) . . ?
O18 Mo8 O30 105.9(18) . . ?
O18 Mo8 O36 97.5(18) . . ?
O30 Mo8 O36 91.3(16) . . ?
O18 Mo8 O123 99.3(17) . . ?
O30 Mo8 O123 154.8(17) . . ?
O36 Mo8 O123 85.1(17) . . ?
O18 Mo8 O19 100.9(18) . . ?
O30 Mo8 O19 88.3(16) . . ?
O36 Mo8 O19 161.0(16) . . ?
O123 Mo8 O19 87.2(16) . . ?
O18 Mo8 O9 169.4(15) . . ?
O30 Mo8 O9 81.6(15) . . ?
O36 Mo8 O9 74.5(14) . . ?
O123 Mo8 O9 73.4(15) . . ?
O19 Mo8 O9 86.6(14) . . ?
O15 Mo22 O17 94.1(18) . . ?
O15 Mo22 O10 107.7(18) . . ?
O17 Mo22 O10 158.0(16) . . ?
O15 Mo22 O26 98(2) . . ?
O17 Mo22 O26 87.9(17) . . ?
O10 Mo22 O26 85.6(17) . . ?
O15 Mo22 O80 103(2) . . ?
O17 Mo22 O80 90.4(16) . . ?
O10 Mo22 O80 88.0(17) . . ?
O26 Mo22 O80 158.7(16) . . ?
O15 Mo22 O8 175.6(18) . . ?
O17 Mo22 O8 88.1(14) . . ?
O10 Mo22 O8 70.5(14) . . ?
O26 Mo22 O8 85.6(15) . . ?
O80 Mo22 O8 73.1(15) . . ?
O14 Mo25 O39 100(2) . . ?
O14 Mo25 O24 98(2) . . ?
O39 Mo25 O24 86.2(18) . . ?
O14 Mo25 O17 100.0(19) . . ?
O39 Mo25 O17 89.0(17) . . ?
O24 Mo25 O17 161.4(17) . . ?
O14 Mo25 O13 102(2) . . ?
O39 Mo25 O13 158.1(17) . . ?
O24 Mo25 O13 86.5(17) . . ?
O17 Mo25 O13 91.4(16) . . ?
O14 Mo25 O27 173.1(18) . . ?
O39 Mo25 O27 81.1(15) . . ?
O24 Mo25 O27 74.7(15) . . ?
O17 Mo25 O27 86.8(14) . . ?
O13 Mo25 O27 77.0(14) . . ?
O23 Mo28 O80 107.2(19) . . ?
O23 Mo28 O33 93.8(18) . . ?
O80 Mo28 O33 90.6(17) . . ?
O23 Mo28 O5 96.3(17) . . ?
O80 Mo28 O5 156.3(16) . . ?
O33 Mo28 O5 85.3(16) . . ?
O23 Mo28 O22 110.7(18) . . ?
O80 Mo28 O22 84.7(16) . . ?
O33 Mo28 O22 155.4(16) . . ?
O5 Mo28 O22 89.4(16) . . ?
O23 Mo28 O8 167.9(17) . . ?
O80 Mo28 O8 72.6(15) . . ?
O33 Mo28 O8 74.2(14) . . ?
O5 Mo28 O8 83.9(13) . . ?
O22 Mo28 O8 81.3(14) . . ?
Mo3 O28 O125 65.2(17) . . ?
Mo3 O28 Mo34 113.1(16) . . ?
O125 O28 Mo34 146.3(18) . . ?
O34 Mo29 O31 89.3(19) . . ?
O34 Mo29 O35 165.4(16) . . ?
O31 Mo29 O35 103.7(18) . . ?
O34 Mo29 O122 89.5(17) . . ?
O31 Mo29 O122 90.8(19) . . ?
O35 Mo29 O122 83.8(17) . . ?
O34 Mo29 O32 90.3(17) . . ?
O31 Mo29 O32 109.2(19) . . ?
O35 Mo29 O32 91.6(17) . . ?
O122 Mo29 O32 160.0(15) . . ?
O34 Mo29 O12 86.8(14) . . ?
O31 Mo29 O12 165.6(19) . . ?
O35 Mo29 O12 79.0(14) . . ?
O122 Mo29 O12 75.2(14) . . ?
O32 Mo29 O12 84.7(14) . . ?
O29 Mo31 O128 102.7(19) . . ?
O29 Mo31 O32 100.3(18) . . ?
O128 Mo31 O32 87.0(18) . . ?
O29 Mo31 O37 100.8(17) . . ?
O128 Mo31 O37 94.8(18) . . ?
O32 Mo31 O37 157.8(15) . . ?
O29 Mo31 O36 96.1(18) . . ?
O128 Mo31 O36 161.1(16) . . ?
O32 Mo31 O36 87.9(17) . . ?
O37 Mo31 O36 83.3(17) . . ?
O29 Mo31 O9 172.1(18) . . ?
O128 Mo31 O9 85.0(15) . . ?
O32 Mo31 O9 81.5(14) . . ?
O37 Mo31 O9 76.6(14) . . ?
O36 Mo31 O9 76.2(14) . . ?
O7 Mo35 O5 108.7(17) . . ?
O7 Mo35 O122 94.1(17) . . ?
O5 Mo35 O122 156.1(16) . . ?
O7 Mo35 O11 98.3(17) . . ?
O5 Mo35 O11 91.4(16) . . ?
O122 Mo35 O11 92.2(16) . . ?
O7 Mo35 O3 97.2(17) . . ?
O5 Mo35 O3 86.2(16) . . ?
O122 Mo35 O3 84.0(16) . . ?
O11 Mo35 O3 164.3(15) . . ?
O7 Mo35 O12 166.8(15) . . ?
O5 Mo35 O12 83.5(13) . . ?
O122 Mo35 O12 73.2(15) . . ?
O11 Mo35 O12 86.2(14) . . ?
O3 Mo35 O12 78.0(14) . . ?
O16 Mo39 O123 98.3(18) . . ?
O16 Mo39 O26 92.3(18) . . ?
O123 Mo39 O26 91.7(18) . . ?
O16 Mo39 O37 107.4(17) . . ?
O123 Mo39 O37 83.7(18) . . ?
O26 Mo39 O37 160.2(16) . . ?
O16 Mo39 O39 106.5(17) . . ?
O123 Mo39 O39 155.1(17) . . ?
O26 Mo39 O39 89.2(17) . . ?
O37 Mo39 O39 87.1(16) . . ?
O16 Mo39 O9 172.0(16) . . ?
O123 Mo39 O9 73.6(15) . . ?
O26 Mo39 O9 87.7(14) . . ?
O37 Mo39 O9 72.5(13) . . ?
O39 Mo39 O9 81.5(14) . . ?
O92 Mo3 O28 110.3(15) . . ?
O92 Mo3 O125 98.5(16) . . ?
O28 Mo3 O125 58.8(16) . . ?
O92 Mo3 O98 102.4(15) . . ?
O28 Mo3 O98 131.9(15) . . ?
O125 Mo3 O98 82.6(15) . . ?
O92 Mo3 O95 98.2(17) . . ?
O28 Mo3 O95 117.6(17) . . ?
O125 Mo3 O95 163.0(15) . . ?
O98 Mo3 O95 90.5(16) . . ?
O92 Mo3 O96 169.9(15) . . ?
O28 Mo3 O96 70.2(12) . . ?
O125 Mo3 O96 90.3(13) . . ?
O98 Mo3 O96 83.4(13) . . ?
O95 Mo3 O96 73.4(14) . . ?
O89 Mo6 O102 104.3(16) . . ?
O89 Mo6 O126 96.4(16) . . ?
O102 Mo6 O126 158.8(15) . . ?
O89 Mo6 O84 106.0(17) . . ?
O102 Mo6 O84 89.6(16) . . ?
O126 Mo6 O84 88.7(16) . . ?
O89 Mo6 O87 94.6(17) . . ?
O102 Mo6 O87 85.9(15) . . ?
O126 Mo6 O87 88.3(15) . . ?
O84 Mo6 O87 159.4(16) . . ?
O89 Mo6 O83 168.4(15) . . ?
O102 Mo6 O83 87.3(14) . . ?
O126 Mo6 O83 72.0(13) . . ?
O84 Mo6 O83 73.4(14) . . ?
O87 Mo6 O83 86.3(13) . . ?
O54 Mo9 O1 99.0(14) . . ?
O54 Mo9 O58 103.2(16) . . ?
O1 Mo9 O58 155.7(15) . . ?
O54 Mo9 O60 100.7(17) . . ?
O1 Mo9 O60 82.2(14) . . ?
O58 Mo9 O60 84.2(15) . . ?
O54 Mo9 O50 98.5(17) . . ?
O1 Mo9 O50 95.4(14) . . ?
O58 Mo9 O50 90.8(16) . . ?
O60 Mo9 O50 160.8(17) . . ?
O54 Mo9 O59 167.7(15) . . ?
O1 Mo9 O59 73.6(11) . . ?
O58 Mo9 O59 85.9(14) . . ?
O60 Mo9 O59 88.2(14) . . ?
O50 Mo9 O59 72.9(15) . . ?
O117 Mo10 O113 102.0(17) . . ?
O117 Mo10 O105 100.7(17) . . ?
O113 Mo10 O105 82.8(16) . . ?
O117 Mo10 O85 100.0(17) . . ?
O113 Mo10 O85 157.6(16) . . ?
O105 Mo10 O85 89.1(15) . . ?
O117 Mo10 O106 99.1(17) . . ?
O113 Mo10 O106 85.7(16) . . ?
O105 Mo10 O106 158.8(15) . . ?
O85 Mo10 O106 94.8(16) . . ?
O117 Mo10 O108 170.4(15) . . ?
O113 Mo10 O108 83.8(14) . . ?
O105 Mo10 O108 72.2(13) . . ?
O85 Mo10 O108 73.8(14) . . ?
O106 Mo10 O108 88.9(13) . . ?
O88 Mo12 O87 108.0(19) . . ?
O88 Mo12 O114 99.4(18) . . ?
O87 Mo12 O114 93.4(15) . . ?
O88 Mo12 O112 97.7(17) . . ?
O87 Mo12 O112 85.8(15) . . ?
O114 Mo12 O112 162.2(15) . . ?
O88 Mo12 O251 90.5(19) . . ?
O87 Mo12 O251 161.5(16) . . ?
O114 Mo12 O251 83.6(16) . . ?
O112 Mo12 O251 91.6(15) . . ?
O88 Mo12 O107 164.6(18) . . ?
O87 Mo12 O107 86.9(14) . . ?
O114 Mo12 O107 75.3(14) . . ?
O112 Mo12 O107 87.0(13) . . ?
O251 Mo12 O107 74.7(14) . . ?
O90 Mo13 O105 104.9(17) . . ?
O90 Mo13 O112 102.6(16) . . ?
O105 Mo13 O112 88.1(16) . . ?
O90 Mo13 O82 97.5(16) . . ?
O105 Mo13 O82 89.2(16) . . ?
O112 Mo13 O82 159.8(14) . . ?
O90 Mo13 O102 100.6(16) . . ?
O105 Mo13 O102 154.4(15) . . ?
O112 Mo13 O102 84.8(15) . . ?
O82 Mo13 O102 89.2(15) . . ?
O90 Mo13 O108 170.7(15) . . ?
O105 Mo13 O108 71.2(14) . . ?
O112 Mo13 O108 85.9(13) . . ?
O82 Mo13 O108 74.3(13) . . ?
O102 Mo13 O108 83.9(13) . . ?
O63 Mo14 O64 103.3(18) . . ?
O63 Mo14 O49 100.9(17) . . ?
O64 Mo14 O49 85.8(16) . . ?
O63 Mo14 O76 98.6(17) . . ?
O64 Mo14 O76 94.5(16) . . ?
O49 Mo14 O76 159.9(15) . . ?
O63 Mo14 O47 94.7(18) . . ?
O64 Mo14 O47 162.0(15) . . ?
O49 Mo14 O47 90.2(16) . . ?
O76 Mo14 O47 83.4(17) . . ?
O63 Mo14 O75 165.0(16) . . ?
O64 Mo14 O75 89.9(13) . . ?
O49 Mo14 O75 86.9(14) . . ?
O76 Mo14 O75 72.9(14) . . ?
O47 Mo14 O75 72.4(14) . . ?
O44 Mo16 O49 102.9(17) . . ?
O44 Mo16 O45 100.5(18) . . ?
O49 Mo16 O45 156.5(17) . . ?
O44 Mo16 O121 100.9(18) . . ?
O49 Mo16 O121 83.4(17) . . ?
O45 Mo16 O121 93.2(16) . . ?
O44 Mo16 O40 107.4(18) . . ?
O49 Mo16 O40 84.4(16) . . ?
O45 Mo16 O40 87.6(16) . . ?
O121 Mo16 O40 151.0(17) . . ?
O44 Mo16 O55 169.4(15) . . ?
O49 Mo16 O55 86.6(15) . . ?
O45 Mo16 O55 69.9(15) . . ?
O121 Mo16 O55 84.5(15) . . ?
O40 Mo16 O55 68.6(15) . . ?
O81 Mo17 O101 101.4(17) . . ?
O81 Mo17 O85 98.4(17) . . ?
O101 Mo17 O85 160.1(16) . . ?
O81 Mo17 O82 97.3(16) . . ?
O101 Mo17 O82 92.5(16) . . ?
O85 Mo17 O82 85.6(16) . . ?
O81 Mo17 O86 102.6(16) . . ?
O101 Mo17 O86 88.7(16) . . ?
O85 Mo17 O86 86.3(16) . . ?
O82 Mo17 O86 159.5(15) . . ?
O81 Mo17 O108 168.5(15) . . ?
O101 Mo17 O108 87.7(14) . . ?
O85 Mo17 O108 72.7(14) . . ?
O82 Mo17 O108 75.1(13) . . ?
O86 Mo17 O108 84.5(14) . . ?
O43 Mo18 O48 102.5(17) . . ?
O43 Mo18 O40 103.1(18) . . ?
O48 Mo18 O40 83.6(17) . . ?
O43 Mo18 O74 97.3(17) . . ?
O48 Mo18 O74 160.0(17) . . ?
O40 Mo18 O74 89.0(17) . . ?
O43 Mo18 O41 97.8(18) . . ?
O48 Mo18 O41 88.3(17) . . ?
O40 Mo18 O41 158.8(17) . . ?
O74 Mo18 O41 92.1(17) . . ?
O43 Mo18 O55 166.6(16) . . ?
O48 Mo18 O55 87.4(15) . . ?
O40 Mo18 O55 68.7(15) . . ?
O74 Mo18 O55 72.6(15) . . ?
O41 Mo18 O55 91.4(14) . . ?
O115 Mo24 O98 103.3(16) . . ?
O115 Mo24 O118 104.4(16) . . ?
O98 Mo24 O118 83.0(15) . . ?
O115 Mo24 O116 97.8(16) . . ?
O98 Mo24 O116 96.6(16) . . ?
O118 Mo24 O116 157.4(15) . . ?
O115 Mo24 O114 97.5(16) . . ?
O98 Mo24 O114 158.6(15) . . ?
O118 Mo24 O114 87.2(15) . . ?
O116 Mo24 O114 85.3(16) . . ?
O115 Mo24 O107 170.2(15) . . ?
O98 Mo24 O107 85.2(14) . . ?
O118 Mo24 O107 81.3(13) . . ?
O116 Mo24 O107 76.1(13) . . ?
O114 Mo24 O107 74.5(13) . . ?
O67 Mo21 O72 102.5(19) . . ?
O67 Mo21 O61 98.0(18) . . ?
O72 Mo21 O61 91.8(18) . . ?
O67 Mo21 O121 104.0(18) . . ?
O72 Mo21 O121 87.7(17) . . ?
O61 Mo21 O121 157.6(17) . . ?
O67 Mo21 O64 95.8(18) . . ?
O72 Mo21 O64 161.0(17) . . ?
O61 Mo21 O64 90.9(16) . . ?
O121 Mo21 O64 82.7(16) . . ?
O67 Mo21 O56 170.2(17) . . ?
O72 Mo21 O56 74.3(16) . . ?
O61 Mo21 O56 73.1(15) . . ?
O121 Mo21 O56 85.2(15) . . ?
O64 Mo21 O56 88.5(13) . . ?
O57 Mo23 O51 98.3(17) . . ?
O57 Mo23 O65 101.8(17) . . ?
O51 Mo23 O65 159.8(17) . . ?
O57 Mo23 O58 103.5(17) . . ?
O51 Mo23 O58 92.4(16) . . ?
O65 Mo23 O58 84.8(15) . . ?
O57 Mo23 O76 95.0(17) . . ?
O51 Mo23 O76 85.0(17) . . ?
O65 Mo23 O76 91.4(16) . . ?
O58 Mo23 O76 161.6(16) . . ?
O57 Mo23 O75 169.4(15) . . ?
O51 Mo23 O75 75.5(15) . . ?
O65 Mo23 O75 84.3(15) . . ?
O58 Mo23 O75 85.6(14) . . ?
O76 Mo23 O75 76.1(14) . . ?
O68 Mo27 O70 101(2) . . ?
O68 Mo27 O200 106.8(19) . . ?
O70 Mo27 O200 87.4(15) . . ?
O68 Mo27 O72 102(2) . . ?
O70 Mo27 O72 156.5(15) . . ?
O200 Mo27 O72 86.7(16) . . ?
O68 Mo27 O66 97.6(19) . . ?
O70 Mo27 O66 87.2(15) . . ?
O200 Mo27 O66 155.6(15) . . ?
O72 Mo27 O66 88.8(16) . . ?
O68 Mo27 O56 166.1(17) . . ?
O70 Mo27 O56 86.2(14) . . ?
O200 Mo27 O56 85.2(14) . . ?
O72 Mo27 O56 70.7(14) . . ?
O66 Mo27 O56 70.7(14) . . ?
O111 Mo30 O99 108(2) . . ?
O111 Mo30 O106 92.7(18) . . ?
O99 Mo30 O106 85.0(17) . . ?
O111 Mo30 O95 102.3(18) . . ?
O99 Mo30 O95 90.1(17) . . ?
O106 Mo30 O95 165.0(16) . . ?
O111 Mo30 O119 91(2) . . ?
O99 Mo30 O119 160.7(17) . . ?
O106 Mo30 O119 90.4(17) . . ?
O95 Mo30 O119 89.6(17) . . ?
O111 Mo30 O96 167(2) . . ?
O99 Mo30 O96 85.5(15) . . ?
O106 Mo30 O96 88.3(14) . . ?
O95 Mo30 O96 77.2(14) . . ?
O119 Mo30 O96 75.6(14) . . ?
O38 Mo32 O100 101(2) . . ?
O38 Mo32 O84 103(2) . . ?
O100 Mo32 O84 156.5(16) . . ?
O38 Mo32 O93 98.9(18) . . ?
O100 Mo32 O93 90.3(15) . . ?
O84 Mo32 O93 87.8(16) . . ?
O38 Mo32 O101 104.9(18) . . ?
O100 Mo32 O101 85.7(15) . . ?
O84 Mo32 O101 86.6(15) . . ?
O93 Mo32 O101 156.3(15) . . ?
O38 Mo32 O83 169.6(17) . . ?
O100 Mo32 O83 82.9(14) . . ?
O84 Mo32 O83 74.3(14) . . ?
O93 Mo32 O83 71.3(13) . . ?
O101 Mo32 O83 85.0(13) . . ?
O97 Mo33 O93 97.1(16) . . ?
O97 Mo33 O125 98.3(15) . . ?
O93 Mo33 O125 91.1(15) . . ?
O97 Mo33 O118 105.0(16) . . ?
O93 Mo33 O118 157.9(15) . . ?
O125 Mo33 O118 84.9(15) . . ?
O97 Mo33 O126 99.9(15) . . ?
O93 Mo33 O126 87.0(16) . . ?
O125 Mo33 O126 161.9(15) . . ?
O118 Mo33 O126 90.1(15) . . ?
O97 Mo33 O83 169.7(14) . . ?
O93 Mo33 O83 74.5(14) . . ?
O125 Mo33 O83 88.0(13) . . ?
O118 Mo33 O83 83.7(13) . . ?
O126 Mo33 O83 74.1(14) . . ?
O91 Mo34 O86 103.5(17) . . ?
O91 Mo34 O119 100(2) . . ?
O86 Mo34 O119 88.6(16) . . ?
O91 Mo34 O100 101(2) . . ?
O86 Mo34 O100 87.2(15) . . ?
O119 Mo34 O100 159.5(17) . . ?
O91 Mo34 O28 111.9(16) . . ?
O86 Mo34 O28 136.6(14) . . ?
O119 Mo34 O28 108.7(15) . . ?
O100 Mo34 O28 62.6(14) . . ?
O91 Mo34 O96 168.5(16) . . ?
O86 Mo34 O96 85.7(14) . . ?
O119 Mo34 O96 73.4(15) . . ?
O100 Mo34 O96 86.3(14) . . ?
O28 Mo34 O96 63.3(11) . . ?
O42 Mo36 O41 99.1(19) . . ?
O42 Mo36 O46 103.8(18) . . ?
O41 Mo36 O46 82.0(17) . . ?
O42 Mo36 O50 98.3(18) . . ?
O41 Mo36 O50 162.4(16) . . ?
O46 Mo36 O50 91.3(17) . . ?
O42 Mo36 O69 97.0(16) . . ?
O41 Mo36 O69 92.9(15) . . ?
O46 Mo36 O69 159.0(15) . . ?
O50 Mo36 O69 87.6(15) . . ?
O42 Mo36 O59 169.9(17) . . ?
O41 Mo36 O59 86.8(15) . . ?
O46 Mo36 O59 85.0(14) . . ?
O50 Mo36 O59 76.4(15) . . ?
O69 Mo36 O59 74.4(12) . . ?
O103 Mo37 O251 100(2) . . ?
O103 Mo37 O113 105.8(17) . . ?
O251 Mo37 O113 93.7(16) . . ?
O103 Mo37 O116 93.0(17) . . ?
O251 Mo37 O116 83.2(16) . . ?
O113 Mo37 O116 161.1(15) . . ?
O103 Mo37 O99 100.1(19) . . ?
O251 Mo37 O99 158.4(15) . . ?
O113 Mo37 O99 88.2(16) . . ?
O116 Mo37 O99 88.1(16) . . ?
O103 Mo37 O107 168.6(16) . . ?
O251 Mo37 O107 76.2(14) . . ?
O113 Mo37 O107 85.3(14) . . ?
O116 Mo37 O107 75.9(13) . . ?
O99 Mo37 O107 82.5(13) . . ?
O71 Mo38 O200 100.3(18) . . ?
O71 Mo38 O45 101(2) . . ?
O200 Mo38 O45 90.9(18) . . ?
O71 Mo38 O120 99.8(19) . . ?
O200 Mo38 O120 88.8(17) . . ?
O45 Mo38 O120 158.8(16) . . ?
O71 Mo38 O74 100.0(18) . . ?
O200 Mo38 O74 159.7(16) . . ?
O45 Mo38 O74 84.3(17) . . ?
O120 Mo38 O74 88.7(16) . . ?
O71 Mo38 O55 169.1(18) . . ?
O200 Mo38 O55 86.5(15) . . ?
O45 Mo38 O55 70.0(15) . . ?
O120 Mo38 O55 88.8(15) . . ?
O74 Mo38 O55 73.4(14) . . ?
O127 Mo40 O66 95.9(18) . . ?
O127 Mo40 O60 102.6(18) . . ?
O66 Mo40 O60 89.9(17) . . ?
O127 Mo40 O65 104.7(17) . . ?
O66 Mo40 O65 159.4(17) . . ?
O60 Mo40 O65 85.9(15) . . ?
O127 Mo40 O61 97.4(17) . . ?
O66 Mo40 O61 89.2(17) . . ?
O60 Mo40 O61 159.9(16) . . ?
O65 Mo40 O61 87.9(15) . . ?
O127 Mo40 O56 167.2(17) . . ?
O66 Mo40 O56 76.2(15) . . ?
O60 Mo40 O56 87.7(15) . . ?
O65 Mo40 O56 83.5(14) . . ?
O61 Mo40 O56 72.6(14) . . ?
O62 Mo41 O47 97.5(19) . . ?
O62 Mo41 O48 109.7(18) . . ?
O47 Mo41 O48 90.3(17) . . ?
O62 Mo41 O46 102.4(19) . . ?
O47 Mo41 O46 160.0(16) . . ?
O48 Mo41 O46 83.9(16) . . ?
O62 Mo41 O51 91.7(17) . . ?
O47 Mo41 O51 86.7(17) . . ?
O48 Mo41 O51 158.6(15) . . ?
O46 Mo41 O51 91.8(17) . . ?
O62 Mo41 O75 163.2(16) . . ?
O47 Mo41 O75 76.2(15) . . ?
O48 Mo41 O75 86.1(14) . . ?
O46 Mo41 O75 84.3(14) . . ?
O51 Mo41 O75 72.5(14) . . ?
O2 Mo42 O21 96.5(17) . . ?
O2 Mo42 O3 97.5(17) . . ?
O21 Mo42 O3 89.6(16) . . ?
O2 Mo42 O30 102.0(17) . . ?
O21 Mo42 O30 89.3(16) . . ?
O3 Mo42 O30 160.5(16) . . ?
O2 Mo42 O35 103.7(17) . . ?
O21 Mo42 O35 159.8(16) . . ?
O3 Mo42 O35 87.1(16) . . ?
O30 Mo42 O35 87.2(16) . . ?
O2 Mo42 O12 173.8(16) . . ?
O21 Mo42 O12 86.9(14) . . ?
O3 Mo42 O12 77.3(14) . . ?
O30 Mo42 O12 83.2(14) . . ?
O35 Mo42 O12 73.0(14) . . ?
O52 Mo44 O69 102.0(19) . . ?
O52 Mo44 O120 98.4(19) . . ?
O69 Mo44 O120 90.1(9) . . ?
O52 Mo44 O70 95.6(18) . . ?
O69 Mo44 O70 162.4(16) . . ?
O120 Mo44 O70 86.3(9) . . ?
O52 Mo44 O1 107.5(17) . . ?
O69 Mo44 O1 90.9(9) . . ?
O120 Mo44 O1 153.3(14) . . ?
O70 Mo44 O1 84.7(8) . . ?
O52 Mo44 O59 174.0(18) . . ?
O69 Mo44 O59 72.8(14) . . ?
O120 Mo44 O59 84.7(14) . . ?
O70 Mo44 O59 89.7(13) . . ?
O1 Mo44 O59 70.1(12) . . ?
O20 Mo45 O19 99.3(19) . . ?
O20 Mo45 O10 107.0(18) . . ?
O19 Mo45 O10 87.1(17) . . ?
O20 Mo45 O33 98.9(18) . . ?
O19 Mo45 O33 161.6(16) . . ?
O10 Mo45 O33 90.4(17) . . ?
O20 Mo45 O21 97.6(17) . . ?
O19 Mo45 O21 89.8(16) . . ?
O10 Mo45 O21 155.4(16) . . ?
O33 Mo45 O21 84.9(16) . . ?
O20 Mo45 O8 171.5(17) . . ?
O19 Mo45 O8 88.1(15) . . ?
O10 Mo45 O8 68.7(14) . . ?
O33 Mo45 O8 74.0(14) . . ?
O21 Mo45 O8 86.8(14) . . ?
Mo4 O4 Mo7 123.3(16) . . ?
Si78 O8 Mo22 127(2) . . ?
Si78 O8 Mo45 123(2) . . ?
Mo22 O8 Mo45 92.7(13) . . ?
Si78 O8 Mo28 122(2) . . ?
Mo22 O8 Mo28 92.8(13) . . ?
Mo45 O8 Mo28 89.9(12) . . ?
Mo42 O3 Mo35 115.9(17) . . ?
Mo35 O5 Mo28 149(2) . . ?
Si78 O9 Mo31 130(2) . . ?
Si78 O9 Mo8 127(2) . . ?
Mo31 O9 Mo8 90.6(13) . . ?
Si78 O9 Mo39 120(2) . . ?
Mo31 O9 Mo39 89.2(12) . . ?
Mo8 O9 Mo39 87.0(12) . . ?
O96 Si10 O107 104.7(19) . . ?
O96 Si10 O83 111.1(19) . . ?
O107 Si10 O83 107.5(19) . . ?
O96 Si10 O108 109.5(19) . . ?
O107 Si10 O108 110.0(18) . . ?
O83 Si10 O108 113.7(19) . . ?
Mo45 O10 Mo22 128(2) . . ?
Mo7 O11 Mo35 141(2) . . ?
Si78 O12 Mo29 128.2(19) . . ?
Si78 O12 Mo35 124(2) . . ?
Mo29 O12 Mo35 92.3(13) . . ?
Si78 O12 Mo42 122(2) . . ?
Mo29 O12 Mo42 90.1(12) . . ?
Mo35 O12 Mo42 88.8(11) . . ?
Mo25 O13 Mo7 121(2) . . ?
Mo22 O17 Mo25 148(2) . . ?
Mo42 O21 Mo45 148(2) . . ?
Mo25 O24 Mo4 121.8(19) . . ?
Si78 O27 Mo4 131(2) . . ?
Si78 O27 Mo25 125(2) . . ?
Mo4 O27 Mo25 89.6(12) . . ?
Si78 O27 Mo7 123(2) . . ?
Mo4 O27 Mo7 88.4(12) . . ?
Mo25 O27 Mo7 86.7(12) . . ?
Mo8 O30 Mo42 150(2) . . ?
Mo31 O32 Mo29 149(2) . . ?
Mo28 O33 Mo45 121.8(19) . . ?
Mo29 O34 Mo4 143(2) . . ?
Mo8 O36 Mo31 118.6(18) . . ?
Mo31 O37 Mo39 122(2) . . ?
Mo18 O40 Mo16 126(2) . . ?
Mo36 O41 Mo18 150(2) . . ?
Mo16 O49 Mo14 150(2) . . ?
Mo23 O51 Mo41 117.9(19) . . ?
Mo18 O48 Mo41 149(2) . . ?
Mo36 O50 Mo9 117(2) . . ?
Mo45 O19 Mo8 146(2) . . ?
Mo7 O22 Mo28 150(2) . . ?
Mo39 O26 Mo22 149(2) . . ?
Mo29 O35 Mo42 117.9(19) . . ?
Mo25 O39 Mo39 146(2) . . ?
Mo38 O45 Mo16 123(2) . . ?
Mo36 O46 Mo41 154(2) . . ?
Mo41 O47 Mo14 120.2(19) . . ?
Si77 O55 Mo16 124.8(19) . . ?
Si77 O55 Mo38 119.5(19) . . ?
Mo16 O55 Mo38 96.4(14) . . ?
Si77 O55 Mo18 118.0(19) . . ?
Mo16 O55 Mo18 96.8(14) . . ?
Mo38 O55 Mo18 95.0(13) . . ?
Si77 O56 Mo40 126(2) . . ?
Si77 O56 Mo21 122(2) . . ?
Mo40 O56 Mo21 93.2(13) . . ?
Si77 O56 Mo27 121.7(19) . . ?
Mo40 O56 Mo27 93.6(13) . . ?
Mo21 O56 Mo27 91.5(13) . . ?
Mo9 O58 Mo23 152(2) . . ?
Si77 O59 Mo36 128(2) . . ?
Si77 O59 Mo44 119.9(19) . . ?
Mo36 O59 Mo44 94.6(13) . . ?
Si77 O59 Mo9 120(2) . . ?
Mo36 O59 Mo9 93.9(14) . . ?
Mo44 O59 Mo9 91.2(13) . . ?
Mo40 O60 Mo9 150(2) . . ?
Mo21 O61 Mo40 121.0(19) . . ?
Mo14 O64 Mo21 149(2) . . ?
Mo23 O65 Mo40 153(2) . . ?
Mo40 O66 Mo27 120(2) . . ?
Mo44 O69 Mo36 118.2(18) . . ?
Mo27 O70 Mo44 149.3(19) . . ?
Mo21 O72 Mo27 123(2) . . ?
Mo38 O74 Mo18 118.6(19) . . ?
Si77 O75 Mo23 126(2) . . ?
Si77 O75 Mo41 125(2) . . ?
Mo23 O75 Mo41 94.0(13) . . ?
Si77 O75 Mo14 119.3(19) . . ?
Mo23 O75 Mo14 92.1(12) . . ?
Mo41 O75 Mo14 91.1(12) . . ?
Mo23 O76 Mo14 118.6(18) . . ?
O56 Si77 O75 109.8(19) . . ?
O56 Si77 O59 112(2) . . ?
O75 Si77 O59 105.2(19) . . ?
O56 Si77 O55 110(2) . . ?
O75 Si77 O55 109.8(19) . . ?
O59 Si77 O55 110.2(19) . . ?
O27 Si78 O9 108(2) . . ?
O27 Si78 O12 107(2) . . ?
O9 Si78 O12 104(2) . . ?
O27 Si78 O8 112(2) . . ?
O9 Si78 O8 110(2) . . ?
O12 Si78 O8 114(2) . . ?
Mo28 O80 Mo22 121(2) . . ?
Mo13 O82 Mo17 118.7(18) . . ?
Si10 O83 Mo33 127.0(19) . . ?
Si10 O83 Mo32 122.6(19) . . ?
Mo33 O83 Mo32 93.7(12) . . ?
Si10 O83 Mo6 120.7(18) . . ?
Mo33 O83 Mo6 93.1(12) . . ?
Mo32 O83 Mo6 90.5(12) . . ?
Mo32 O84 Mo6 121.8(19) . . ?
Mo17 O85 Mo10 119.3(18) . . ?
Mo34 O86 Mo17 147(2) . . ?
Mo12 O87 Mo6 151(2) . . ?
Mo33 O93 Mo32 120.5(18) . . ?
Mo30 O95 Mo3 116.5(18) . . ?
Si10 O96 Mo30 128.5(19) . . ?
Si10 O96 Mo3 123.2(19) . . ?
Mo30 O96 Mo3 92.9(12) . . ?
Si10 O96 Mo34 119.1(19) . . ?
Mo30 O96 Mo34 92.8(13) . . ?
Mo3 O96 Mo34 90.5(12) . . ?
Mo24 O98 Mo3 156(2) . . ?
Mo30 O99 Mo37 149(2) . . ?
Mo32 O100 Mo34 153(2) . . ?
Mo17 O101 Mo32 152(2) . . ?
Mo6 O102 Mo13 152(2) . . ?
Mo13 O105 Mo10 123.7(19) . . ?
Mo30 O106 Mo10 150(2) . . ?
Si10 O107 Mo24 127.6(18) . . ?
Si10 O107 Mo37 123.3(19) . . ?
Mo24 O107 Mo37 92.4(12) . . ?
Si10 O107 Mo12 121.8(18) . . ?
Mo24 O107 Mo12 92.1(12) . . ?
Mo37 O107 Mo12 89.4(11) . . ?
Si10 O108 Mo10 125.1(18) . . ?
Si10 O108 Mo17 120.8(18) . . ?
Mo10 O108 Mo17 94.2(12) . . ?
Si10 O108 Mo13 123.5(19) . . ?
Mo10 O108 Mo13 92.8(12) . . ?
Mo17 O108 Mo13 91.8(12) . . ?
Mo13 O112 Mo12 150(2) . . ?
Mo10 O113 Mo37 150(2) . . ?
Mo12 O114 Mo24 118.1(18) . . ?
Mo37 O116 Mo24 115.7(17) . . ?
Mo24 O118 Mo33 154(2) . . ?
Mo34 O119 Mo30 118(2) . . ?
Mo38 O120 Mo44 148.6(18) . . ?
Mo21 O121 Mo16 157(2) . . ?
Mo29 O122 Mo35 119(2) . . ?
Mo39 O123 Mo8 126(2) . . ?
O28 O125 Mo3 56.0(15) . . ?
O28 O125 Mo33 129(2) . . ?
Mo3 O125 Mo33 147.9(19) . . ?
Mo6 O126 Mo33 120.8(18) . . ?
Mo31 O128 Mo4 152(2) . . ?
Mo38 O200 Mo27 152(3) . . ?
Mo37 O251 Mo12 119.1(19) . . ?
C2_1 N1_1 C6_1 120.0 . . ?
C2_1 N1_1 Pd1_14 118(2) . . ?
C6_1 N1_1 Pd1_14 122(2) . . ?
N1_1 C2_1 C3_1 120.0 . . ?
N1_1 C2_1 H2_1 120.0 . . ?
C3_1 C2_1 H2_1 120.0 . . ?
C2_1 C3_1 C4_1 120.0 . . ?
C2_1 C3_1 H3_1 120.0 . . ?
C4_1 C3_1 H3_1 120.0 . . ?
C5_1 C4_1 C3_1 120.0 . . ?
C5_1 C4_1 C9_1 117.3(14) . . ?
C3_1 C4_1 C9_1 118.9(14) . . ?
C6_1 C5_1 C4_1 120.0 . . ?
C6_1 C5_1 H5_1 120.0 . . ?
C4_1 C5_1 H5_1 120.0 . . ?
C5_1 C6_1 N1_1 120.0 . . ?
C5_1 C6_1 H6_1 120.0 . . ?
N1_1 C6_1 H6_1 120.0 . . ?
C14_1 N13_1 C18_1 120.0 . . ?
C14_1 N13_1 Pd1_20 120(2) . . ?
C18_1 N13_1 Pd1_20 120(2) . . ?
C15_1 C14_1 N13_1 120.0 . . ?
C15_1 C14_1 H14_1 120.0 . . ?
N13_1 C14_1 H14_1 120.0 . . ?
C14_1 C15_1 C16_1 120.0 . . ?
C14_1 C15_1 H15_1 120.0 . . ?
C16_1 C15_1 H15_1 120.0 . . ?
C17_1 C16_1 C15_1 120.0 . . ?
C17_1 C16_1 C7_1 123(4) . . ?
C15_1 C16_1 C7_1 117(4) . . ?
C18_1 C17_1 C16_1 120.0 . . ?
C18_1 C17_1 H17_1 120.0 . . ?
C16_1 C17_1 H17_1 120.0 . . ?
C17_1 C18_1 N13_1 120.0 . . ?
C17_1 C18_1 H18_1 120.0 . . ?
N13_1 C18_1 H18_1 120.0 . . ?
N8_1 C7_1 N12_1 120.0 . . ?
N8_1 C7_1 C16_1 114(4) . . ?
N12_1 C7_1 C16_1 126(4) . . ?
C7_1 N8_1 C9_1 120.0 . . ?
N10_1 C9_1 N8_1 120.0 . . ?
N10_1 C9_1 C4_1 123(3) . . ?
N8_1 C9_1 C4_1 115(3) . . ?
C9_1 N10_1 C11_1 120.0 . . ?
C22_1 C11_1 N12_1 114(4) . . ?
C22_1 C11_1 N10_1 125(4) . . ?
N12_1 C11_1 N10_1 120.0 . . ?
C11_1 N12_1 C7_1 120.0 . . ?
C20_1 N19_1 C24_1 120.0 . . ?
C20_1 N19_1 C25_1 111(4) . . ?
C24_1 N19_1 C25_1 129(4) . . ?
N19_1 C20_1 C21_1 120.0 . . ?
N19_1 C20_1 H20_1 120.0 . . ?
C21_1 C20_1 H20_1 120.0 . . ?
C22_1 C21_1 C20_1 120.0 . . ?
C22_1 C21_1 H21_1 120.0 . . ?
C20_1 C21_1 H21_1 120.0 . . ?
C11_1 C22_1 C21_1 129(4) . . ?
C11_1 C22_1 C23_1 111(4) . . ?
C21_1 C22_1 C23_1 120.0 . . ?
C22_1 C23_1 C24_1 120.0 . . ?
C22_1 C23_1 H23_1 120.0 . . ?
C24_1 C23_1 H23_1 120.0 . . ?
C23_1 C24_1 N19_1 120.0 . . ?
C23_1 C24_1 H24_1 120.0 . . ?
N19_1 C24_1 H24_1 120.0 . . ?
N19_1 C25_1 C26_1 101(4) . . ?
N19_1 C25_1 H25A_1 111.7 . . ?
C26_1 C25_1 H25A_1 111.7 . . ?
N19_1 C25_1 H25B_1 111.7 . . ?
C26_1 C25_1 H25B_1 111.7 . . ?
H25A_1 C25_1 H25B_1 109.4 . . ?
C27_1 C26_1 C31_1 120.0 . . ?
C27_1 C26_1 C25_1 121.6(13) . . ?
C31_1 C26_1 C25_1 118.3(13) . . ?
C26_1 C27_1 C28_1 120.0 . . ?
C26_1 C27_1 H27_1 120.0 . . ?
C28_1 C27_1 H27_1 120.0 . . ?
C27_1 C28_1 C29_1 120.0 . . ?
C27_1 C28_1 H28_1 120.0 . . ?
C29_1 C28_1 H28_1 120.0 . . ?
C30_1 C29_1 C28_1 120.0 . . ?
C30_1 C29_1 C32_1 124(3) . . ?
C28_1 C29_1 C32_1 114(3) . . ?
C31_1 C30_1 C29_1 120.0 . . ?
C31_1 C30_1 H30_1 120.0 . . ?
C29_1 C30_1 H30_1 120.0 . . ?
C30_1 C31_1 C26_1 120.0 . . ?
C30_1 C31_1 H31_1 120.0 . . ?
C26_1 C31_1 H31_1 120.0 . . ?
N33_1 C32_1 C29_1 103(4) . . ?
N33_1 C32_1 H32A_1 111.1 . . ?
C29_1 C32_1 H32A_1 111.1 . . ?
N33_1 C32_1 H32B_1 111.1 . . ?
C29_1 C32_1 H32B_1 111.1 . . ?
H32A_1 C32_1 H32B_1 109.1 . . ?
C34_1 N33_1 C38_1 120.0 . . ?
C34_1 N33_1 C32_1 118(3) . . ?
C38_1 N33_1 C32_1 122(3) . . ?
N33_1 C34_1 C35_1 120.0 . . ?
N33_1 C34_1 H34_1 120.0 . . ?
C35_1 C34_1 H34_1 120.0 . . ?
C34_1 C35_1 C36_1 120.0 . . ?
C34_1 C35_1 H35_1 120.0 . . ?
C36_1 C35_1 H35_1 120.0 . . ?
C39_1 C36_1 C37_1 118(3) . . ?
C39_1 C36_1 C35_1 121(3) . . ?
C37_1 C36_1 C35_1 120.0 . . ?
C36_1 C37_1 C38_1 120.0 . . ?
C36_1 C37_1 H37_1 120.0 . . ?
C38_1 C37_1 H37_1 120.0 . . ?
C37_1 C38_1 N33_1 120.0 . . ?
C37_1 C38_1 H38_1 120.0 . . ?
N33_1 C38_1 H38_1 120.0 . . ?
C36_1 C39_1 N40_1 116(3) . . ?
C36_1 C39_1 N44_1 124(3) . . ?
N40_1 C39_1 N44_1 120.0 . . ?
C39_1 N40_1 C41_1 120.0 . . ?
N40_1 C41_1 N42_1 120.0 . . ?
N40_1 C41_1 C48_1 120(3) . . ?
N42_1 C41_1 C48_1 120(3) . . ?
C41_1 N42_1 C43_1 120.0 . . ?
C54_1 C43_1 N44_1 119(3) . . ?
C54_1 C43_1 N42_1 121(3) . . ?
N44_1 C43_1 N42_1 120.0 . . ?
C43_1 N44_1 C39_1 120.0 . . ?
C46_1 N45_1 C50_1 120.0 . . ?
C46_1 N45_1 Pd1_14 127(3) . . ?
C50_1 N45_1 Pd1_14 111(3) . . ?
N45_1 C46_1 C47_1 120.0 . . ?
N45_1 C46_1 H46_1 120.0 . . ?
C47_1 C46_1 H46_1 120.0 . . ?
C48_1 C47_1 C46_1 120.0 . . ?
C48_1 C47_1 H47_1 120.0 . . ?
C46_1 C47_1 H47_1 120.0 . . ?
C47_1 C48_1 C49_1 120.0 . . ?
C47_1 C48_1 C41_1 119(4) . . ?
C49_1 C48_1 C41_1 121(4) . . ?
C50_1 C49_1 C48_1 120.0 . . ?
C50_1 C49_1 H49_1 120.0 . . ?
C48_1 C49_1 H49_1 120.0 . . ?
C49_1 C50_1 N45_1 120.0 . . ?
C49_1 C50_1 H50_1 120.0 . . ?
N45_1 C50_1 H50_1 120.0 . . ?
C52_1 N51_1 C56_1 120.0 . . ?
C52_1 N51_1 Pd1_10 118(2) . . ?
C56_1 N51_1 Pd1_10 121(2) . . ?
C53_1 C52_1 N51_1 120.0 . . ?
C53_1 C52_1 H52_1 120.0 . . ?
N51_1 C52_1 H52_1 120.0 . . ?
C52_1 C53_1 C54_1 120.0 . . ?
C52_1 C53_1 H53_1 120.0 . . ?
C54_1 C53_1 H53_1 120.0 . . ?
C43_1 C54_1 C55_1 120(3) . . ?
C43_1 C54_1 C53_1 120(3) . . ?
C55_1 C54_1 C53_1 120.0 . . ?
C54_1 C55_1 C56_1 120.0 . . ?
C54_1 C55_1 H55_1 120.0 . . ?
C56_1 C55_1 H55_1 120.0 . . ?
C55_1 C56_1 N51_1 120.0 . . ?
C55_1 C56_1 H56_1 120.0 . . ?
N51_1 C56_1 H56_1 120.0 . . ?
C2_2 N1_2 C6_2 120.0 . . ?
C2_2 N1_2 Pd1_19 118(2) . . ?
C6_2 N1_2 Pd1_19 118(2) . . ?
C3_2 C2_2 N1_2 120.0 . . ?
C3_2 C2_2 H2_2 120.0 . . ?
N1_2 C2_2 H2_2 120.0 . . ?
C2_2 C3_2 C4_2 120.0 . . ?
C2_2 C3_2 H3_2 120.0 . . ?
C4_2 C3_2 H3_2 120.0 . . ?
C5_2 C4_2 C3_2 120.0 . . ?
C5_2 C4_2 C7_2 119.7(14) . . ?
C3_2 C4_2 C7_2 117.1(14) . . ?
C4_2 C5_2 C6_2 120.0 . . ?
C4_2 C5_2 H5_2 120.0 . . ?
C6_2 C5_2 H5_2 120.0 . . ?
C5_2 C6_2 N1_2 120.0 . . ?
C5_2 C6_2 H6_2 120.0 . . ?
N1_2 C6_2 H6_2 120.0 . . ?
N8_2 C7_2 N12_2 120.0 . . ?
N8_2 C7_2 C4_2 107(3) . . ?
N12_2 C7_2 C4_2 130(2) . . ?
C7_2 N8_2 C9_2 120.0 . . ?
C22_2 C9_2 N10_2 111(4) . . ?
C22_2 C9_2 N8_2 127(4) . . ?
N10_2 C9_2 N8_2 120.0 . . ?
C9_2 N10_2 C11_2 120.0 . . ?
C16_2 C11_2 N12_2 118(2) . . ?
C16_2 C11_2 N10_2 122(2) . . ?
N12_2 C11_2 N10_2 120.0 . . ?
C11_2 N12_2 C7_2 120.0 . . ?
C14_2 N13_2 C18_2 120.0 . . ?
C14_2 N13_2 Pd1_10 123.5(18) . . ?
C18_2 N13_2 Pd1_10 116.2(18) . . ?
C15_2 C14_2 N13_2 120.0 . . ?
C15_2 C14_2 H14_2 120.0 . . ?
N13_2 C14_2 H14_2 120.0 . . ?
C16_2 C15_2 C14_2 120.0 . . ?
C16_2 C15_2 H15_2 120.0 . . ?
C14_2 C15_2 H15_2 120.0 . . ?
C11_2 C16_2 C15_2 116.9(14) . . ?
C11_2 C16_2 C17_2 121.2(14) . . ?
C15_2 C16_2 C17_2 120.0 . . ?
C18_2 C17_2 C16_2 120.0 . . ?
C18_2 C17_2 H17_2 120.0 . . ?
C16_2 C17_2 H17_2 120.0 . . ?
C17_2 C18_2 N13_2 120.0 . . ?
C17_2 C18_2 H18_2 120.0 . . ?
N13_2 C18_2 H18_2 120.0 . . ?
C20_2 N19_2 C24_2 120.0 . . ?
C20_2 N19_2 C25_2 120.1(14) . . ?
C24_2 N19_2 C25_2 118.7(14) . . ?
N19_2 C20_2 C21_2 120.0 . . ?
N19_2 C20_2 H20_2 120.0 . . ?
C21_2 C20_2 H20_2 120.0 . . ?
C22_2 C21_2 C20_2 120.0 . . ?
C22_2 C21_2 H21_2 120.0 . . ?
C20_2 C21_2 H21_2 120.0 . . ?
C9_2 C22_2 C21_2 117(4) . . ?
C9_2 C22_2 C23_2 122(4) . . ?
C21_2 C22_2 C23_2 120.0 . . ?
C24_2 C23_2 C22_2 120.0 . . ?
C24_2 C23_2 H23_2 120.0 . . ?
C22_2 C23_2 H23_2 120.0 . . ?
C23_2 C24_2 N19_2 120.0 . . ?
C23_2 C24_2 H24_2 120.0 . . ?
N19_2 C24_2 H24_2 120.0 . . ?
N19_2 C25_2 C26_2 116(4) . . ?
N19_2 C25_2 H25A_2 108.3 . . ?
C26_2 C25_2 H25A_2 108.3 . . ?
N19_2 C25_2 H25B_2 108.3 . . ?
C26_2 C25_2 H25B_2 108.3 . . ?
H25A_2 C25_2 H25B_2 107.4 . . ?
C27_2 C26_2 C31_2 120.0 . . ?
C27_2 C26_2 C25_2 121.1(13) . . ?
C31_2 C26_2 C25_2 118.4(14) . . ?
C26_2 C27_2 C28_2 120.0 . . ?
C26_2 C27_2 H27_2 120.0 . . ?
C28_2 C27_2 H27_2 120.0 . . ?
C27_2 C28_2 C29_2 120.0 . . ?
C27_2 C28_2 H28_2 120.0 . . ?
C29_2 C28_2 H28_2 120.0 . . ?
C30_2 C29_2 C28_2 120.0 . . ?
C30_2 C29_2 C32_2 120(4) . . ?
C28_2 C29_2 C32_2 120(4) . . ?
C31_2 C30_2 C29_2 120.0 . . ?
C31_2 C30_2 H30_2 120.0 . . ?
C29_2 C30_2 H30_2 120.0 . . ?
C30_2 C31_2 C26_2 120.0 . . ?
C30_2 C31_2 H31_2 120.0 . . ?
C26_2 C31_2 H31_2 120.0 . . ?
N33_2 C32_2 C29_2 106(5) . . ?
N33_2 C32_2 H32A_2 110.6 . . ?
C29_2 C32_2 H32A_2 110.6 . . ?
N33_2 C32_2 H32B_2 110.6 . . ?
C29_2 C32_2 H32B_2 110.6 . . ?
H32A_2 C32_2 H32B_2 108.7 . . ?
C34_2 N33_2 C38_2 120.0 . . ?
C34_2 N33_2 C32_2 119(4) . . ?
C38_2 N33_2 C32_2 121(4) . . ?
C35_2 C34_2 N33_2 120.0 . . ?
C35_2 C34_2 H34_2 120.0 . . ?
N33_2 C34_2 H34_2 120.0 . . ?
C34_2 C35_2 C36_2 120.0 . . ?
C34_2 C35_2 H35_2 120.0 . . ?
C36_2 C35_2 H35_2 120.0 . . ?
C37_2 C36_2 C35_2 120.0 . . ?
C37_2 C36_2 C39_2 124(4) . . ?
C35_2 C36_2 C39_2 116(4) . . ?
C36_2 C37_2 C38_2 120.0 . . ?
C36_2 C37_2 H37_2 120.0 . . ?
C38_2 C37_2 H37_2 120.0 . . ?
C37_2 C38_2 N33_2 120.0 . . ?
C37_2 C38_2 H38_2 120.0 . . ?
N33_2 C38_2 H38_2 120.0 . . ?
N40_2 C39_2 N44_2 120.0 . . ?
N40_2 C39_2 C36_2 128(4) . . ?
N44_2 C39_2 C36_2 112(4) . . ?
C41_2 N40_2 C39_2 120.0 . . ?
C48_2 C41_2 N40_2 114(4) . . ?
C48_2 C41_2 N42_2 126(4) . . ?
N40_2 C41_2 N42_2 120.0 . . ?
C43_2 N42_2 C41_2 120.0 . . ?
N42_2 C43_2 N44_2 120.0 . . ?
N42_2 C43_2 C54_2 122(4) . . ?
N44_2 C43_2 C54_2 118(4) . . ?
C43_2 N44_2 C39_2 120.0 . . ?
C46_2 N45_2 C50_2 120.0 . . ?
C46_2 N45_2 Pd1_20 117(3) . . ?
C50_2 N45_2 Pd1_20 123(3) . . ?
N45_2 C46_2 C47_2 120.0 . . ?
N45_2 C46_2 H46_2 120.0 . . ?
C47_2 C46_2 H46_2 120.0 . . ?
C48_2 C47_2 C46_2 120.0 . . ?
C48_2 C47_2 H47_2 120.0 . . ?
C46_2 C47_2 H47_2 120.0 . . ?
C41_2 C48_2 C49_2 115(4) . . ?
C41_2 C48_2 C47_2 125(4) . . ?
C49_2 C48_2 C47_2 120.0 . . ?
C48_2 C49_2 C50_2 120.0 . . ?
C48_2 C49_2 H49_2 120.0 . . ?
C50_2 C49_2 H49_2 120.0 . . ?
C49_2 C50_2 N45_2 120.0 . . ?
C49_2 C50_2 H50_2 120.0 . . ?
N45_2 C50_2 H50_2 120.0 . . ?
C52_2 N51_2 C56_2 120.0 . . ?
C52_2 N51_2 Pd1_19 114(3) . . ?
C56_2 N51_2 Pd1_19 125(3) . . ?
N51_2 C52_2 C53_2 120.0 . . ?
N51_2 C52_2 H52_2 120.0 . . ?
C53_2 C52_2 H52_2 120.0 . . ?
C52_2 C53_2 C54_2 120.0 . . ?
C52_2 C53_2 H53_2 120.0 . . ?
C54_2 C53_2 H53_2 120.0 . . ?
C55_2 C54_2 C53_2 120.0 . . ?
C55_2 C54_2 C43_2 114(4) . . ?
C53_2 C54_2 C43_2 126(4) . . ?
C54_2 C55_2 C56_2 120.0 . . ?
C54_2 C55_2 H55_2 120.0 . . ?
C56_2 C55_2 H55_2 120.0 . . ?
C55_2 C56_2 N51_2 120.0 . . ?
C55_2 C56_2 H56_2 120.0 . . ?
N51_2 C56_2 H56_2 120.0 . . ?
C2_3 N1_3 C6_3 120.0 . . ?
C2_3 N1_3 Pd1_13 121(2) . . ?
C6_3 N1_3 Pd1_13 117(2) . . ?
N1_3 C2_3 C3_3 120.0 . . ?
N1_3 C2_3 H2_3 120.0 . . ?
C3_3 C2_3 H2_3 120.0 . . ?
C2_3 C3_3 C4_3 120.0 . . ?
C2_3 C3_3 H3_3 120.0 . . ?
C4_3 C3_3 H3_3 120.0 . . ?
C5_3 C4_3 C3_3 120.0 . . ?
C5_3 C4_3 C7_3 116(3) . . ?
C3_3 C4_3 C7_3 124(3) . . ?
C4_3 C5_3 C6_3 120.0 . . ?
C4_3 C5_3 H5_3 120.0 . . ?
C6_3 C5_3 H5_3 120.0 . . ?
C5_3 C6_3 N1_3 120.0 . . ?
C5_3 C6_3 H6_3 120.0 . . ?
N1_3 C6_3 H6_3 120.0 . . ?
C14_3 N13_3 C18_3 120.0 . . ?
C14_3 N13_3 C25_3 119(3) . . ?
C18_3 N13_3 C25_3 121(3) . . ?
N13_3 C14_3 C15_3 120.0 . . ?
N13_3 C14_3 H14_3 120.0 . . ?
C15_3 C14_3 H14_3 120.0 . . ?
C16_3 C15_3 C14_3 120.0 . . ?
C16_3 C15_3 H15_3 120.0 . . ?
C14_3 C15_3 H15_3 120.0 . . ?
C17_3 C16_3 C15_3 120.0 . . ?
C17_3 C16_3 C11_3 111(3) . . ?
C15_3 C16_3 C11_3 129(3) . . ?
C16_3 C17_3 C18_3 120.0 . . ?
C16_3 C17_3 H17_3 120.0 . . ?
C18_3 C17_3 H17_3 120.0 . . ?
C17_3 C18_3 N13_3 120.0 . . ?
C17_3 C18_3 H18_3 120.0 . . ?
N13_3 C18_3 H18_3 120.0 . . ?
C20_3 N19_3 C24_3 120.0 . . ?
C20_3 N19_3 Pd1_16 123.6(19) . . ?
C24_3 N19_3 Pd1_16 116.4(19) . . ?
N19_3 C20_3 C21_3 120.0 . . ?
N19_3 C20_3 H20_3 120.0 . . ?
C21_3 C20_3 H20_3 120.0 . . ?
C22_3 C21_3 C20_3 120.0 . . ?
C22_3 C21_3 H21_3 120.0 . . ?
C20_3 C21_3 H21_3 120.0 . . ?
C23_3 C22_3 C21_3 120.0 . . ?
C23_3 C22_3 C9_3 128(3) . . ?
C21_3 C22_3 C9_3 112(3) . . ?
C22_3 C23_3 C24_3 120.0 . . ?
C22_3 C23_3 H23_3 120.0 . . ?
C24_3 C23_3 H23_3 120.0 . . ?
C23_3 C24_3 N19_3 120.0 . . ?
C23_3 C24_3 H24_3 120.0 . . ?
N19_3 C24_3 H24_3 120.0 . . ?
N8_3 C7_3 N12_3 120.0 . . ?
N8_3 C7_3 C4_3 118(3) . . ?
N12_3 C7_3 C4_3 120(3) . . ?
C7_3 N8_3 C9_3 120.0 . . ?
N8_3 C9_3 N10_3 120.0 . . ?
N8_3 C9_3 C22_3 118(3) . . ?
N10_3 C9_3 C22_3 121(3) . . ?
C11_3 N10_3 C9_3 120.0 . . ?
N12_3 C11_3 N10_3 120.0 . . ?
N12_3 C11_3 C16_3 117(3) . . ?
N10_3 C11_3 C16_3 123(3) . . ?
C11_3 N12_3 C7_3 120.0 . . ?
C27_3 C26_3 C31_3 120.0 . . ?
C27_3 C26_3 C25_3 118(4) . . ?
C31_3 C26_3 C25_3 121(3) . . ?
C26_3 C27_3 C28_3 120.0 . . ?
C26_3 C27_3 H27_3 120.0 . . ?
C28_3 C27_3 H27_3 120.0 . . ?
C27_3 C28_3 C29_3 120.0 . . ?
C27_3 C28_3 H28_3 120.0 . . ?
C29_3 C28_3 H28_3 120.0 . . ?
C30_3 C29_3 C28_3 120.0 . . ?
C30_3 C29_3 C32_5 116(4) . . ?
C28_3 C29_3 C32_5 122(4) . . ?
C29_3 C30_3 C31_3 120.0 . . ?
C29_3 C30_3 H30_3 120.0 . . ?
C31_3 C30_3 H30_3 120.0 . . ?
C30_3 C31_3 C26_3 120.0 . . ?
C30_3 C31_3 H31_3 120.0 . . ?
C26_3 C31_3 H31_3 120.0 . . ?
C34_3 N33_3 C38_3 120.0 . . ?
C34_3 N33_3 C32_5 126(4) . . ?
C38_3 N33_3 C32_5 114(4) . . ?
C35_3 C34_3 N33_3 120.0 . . ?
C35_3 C34_3 H34_3 120.0 . . ?
N33_3 C34_3 H34_3 120.0 . . ?
C34_3 C35_3 C36_3 120.0 . . ?
C34_3 C35_3 H35_3 120.0 . . ?
C36_3 C35_3 H35_3 120.0 . . ?
C35_3 C36_3 C37_3 120.0 . . ?
C35_3 C36_3 C39_3 118(4) . . ?
C37_3 C36_3 C39_3 122(4) . . ?
C38_3 C37_3 C36_3 120.0 . . ?
C38_3 C37_3 H37_3 120.0 . . ?
C36_3 C37_3 H37_3 120.0 . . ?
C37_3 C38_3 N33_3 120.0 . . ?
C37_3 C38_3 H38_3 120.0 . . ?
N33_3 C38_3 H38_3 120.0 . . ?
N40_3 C39_3 N44_3 120.0 . . ?
N40_3 C39_3 C36_3 121(4) . . ?
N44_3 C39_3 C36_3 118(4) . . ?
C41_3 N40_3 C39_3 120.0 . . ?
N40_3 C41_3 N42_3 120.0 . . ?
N40_3 C41_3 C54_3 108(4) . . ?
N42_3 C41_3 C54_3 131(4) . . ?
C43_3 N42_3 C41_3 120.0 . . ?
C48_6 C43_3 N44_3 121(4) . . ?
C48_6 C43_3 N42_3 119(4) . . ?
N44_3 C43_3 N42_3 120.0 . . ?
C43_3 N44_3 C39_3 120.0 . . ?
C52_3 N51_3 C56_3 120.0 . . ?
C52_3 N51_3 Pd1_16 121(2) . . ?
C56_3 N51_3 Pd1_16 113(2) . . ?
C53_3 C52_3 N51_3 120.0 . . ?
C53_3 C52_3 H52_3 120.0 . . ?
N51_3 C52_3 H52_3 120.0 . . ?
C52_3 C53_3 C54_3 120.0 . . ?
C52_3 C53_3 H53_3 120.0 . . ?
C54_3 C53_3 H53_3 120.0 . . ?
C53_3 C54_3 C55_3 120.0 . . ?
C53_3 C54_3 C41_3 123(4) . . ?
C55_3 C54_3 C41_3 116(4) . . ?
C56_3 C55_3 C54_3 120.0 . . ?
C56_3 C55_3 H55_3 120.0 . . ?
C54_3 C55_3 H55_3 120.0 . . ?
C55_3 C56_3 N51_3 120.0 . . ?
C55_3 C56_3 H56_3 120.0 . . ?
N51_3 C56_3 H56_3 120.0 . . ?
C26_3 C25_3 N13_3 110(4) . . ?
C26_3 C25_3 H25A_3 109.7 . . ?
N13_3 C25_3 H25A_3 109.7 . . ?
C26_3 C25_3 H25B_3 109.7 . . ?
N13_3 C25_3 H25B_3 109.7 . . ?
H25A_3 C25_3 H25B_3 108.2 . . ?
C2_4 N1_4 C6_4 120.0 . . ?
C2_4 N1_4 Pd1_9 116(2) . . ?
C6_4 N1_4 Pd1_9 122(2) . . ?
C3_4 C2_4 N1_4 120.0 . . ?
C3_4 C2_4 H2_4 120.0 . . ?
N1_4 C2_4 H2_4 120.0 . . ?
C2_4 C3_4 C4_4 120.0 . . ?
C2_4 C3_4 H3_4 120.0 . . ?
C4_4 C3_4 H3_4 120.0 . . ?
N8_4 C4_4 C3_4 113(3) . . ?
N8_4 C4_4 C5_4 123(4) . . ?
C3_4 C4_4 C5_4 120.0 . . ?
C4_4 C5_4 C6_4 120.0 . . ?
C4_4 C5_4 H5_4 120.0 . . ?
C6_4 C5_4 H5_4 120.0 . . ?
C5_4 C6_4 N1_4 120.0 . . ?
C5_4 C6_4 H6_4 120.0 . . ?
N1_4 C6_4 H6_4 120.0 . . ?
N8_4 C7_4 N12_4 120.0 . . ?
C4_4 N8_4 C7_4 123(3) . . ?
C4_4 N8_4 C9_4 111(3) . . ?
C7_4 N8_4 C9_4 120.0 . . ?
N8_4 C9_4 N10_4 120.0 . . ?
C11_4 N10_4 C9_4 120.0 . . ?
C11_4 N10_4 C22_4 119(3) . . ?
C9_4 N10_4 C22_4 119(4) . . ?
N12_4 C11_4 N10_4 120.0 . . ?
C11_4 N12_4 C7_4 120.0 . . ?
C11_4 N12_4 C16_4 125(3) . . ?
C7_4 N12_4 C16_4 114(3) . . ?
C14_4 N13_4 C18_4 120.0 . . ?
C14_4 N13_4 Pd1_11 123(2) . . ?
C18_4 N13_4 Pd1_11 116(2) . . ?
N13_4 C14_4 C15_4 120.0 . . ?
N13_4 C14_4 H14_4 120.0 . . ?
C15_4 C14_4 H14_4 120.0 . . ?
C14_4 C15_4 C16_4 120.0 . . ?
C14_4 C15_4 H15_4 120.0 . . ?
C16_4 C15_4 H15_4 120.0 . . ?
C17_4 C16_4 C15_4 120.0 . . ?
C17_4 C16_4 N12_4 118(3) . . ?
C15_4 C16_4 N12_4 122(3) . . ?
C18_4 C17_4 C16_4 120.0 . . ?
C18_4 C17_4 H17_4 120.0 . . ?
C16_4 C17_4 H17_4 120.0 . . ?
C17_4 C18_4 N13_4 120.0 . . ?
C17_4 C18_4 H18_4 120.0 . . ?
N13_4 C18_4 H18_4 120.0 . . ?
C24_4 N19_4 C20_4 121(5) . . ?
C24_4 N19_4 C25_4 120(5) . . ?
C20_4 N19_4 C25_4 119(5) . . ?
N19_4 C20_4 C21_4 117(5) . . ?
N19_4 C20_4 H20_4 121.4 . . ?
C21_4 C20_4 H20_4 121.4 . . ?
C22_4 C21_4 C20_4 117(6) . . ?
C22_4 C21_4 H21_4 121.5 . . ?
C20_4 C21_4 H21_4 121.5 . . ?
C21_4 C22_4 C23_4 127(6) . . ?
C21_4 C22_4 N10_4 112(5) . . ?
C23_4 C22_4 N10_4 121(5) . . ?
C24_4 C23_4 C22_4 116(6) . . ?
C24_4 C23_4 H23_4 122.2 . . ?
C22_4 C23_4 H23_4 122.2 . . ?
C23_4 C24_4 N19_4 122(6) . . ?
C23_4 C24_4 H24_4 118.9 . . ?
N19_4 C24_4 H24_4 118.9 . . ?
C26_4 C25_4 N19_4 111(4) . . ?
C26_4 C25_4 H25A_4 109.4 . . ?
N19_4 C25_4 H25A_4 109.4 . . ?
C26_4 C25_4 H25B_4 109.4 . . ?
N19_4 C25_4 H25B_4 109.4 . . ?
H25A_4 C25_4 H25B_4 108.0 . . ?
C31_4 C26_4 C27_4 119(5) . . ?
C31_4 C26_4 C25_4 115(5) . . ?
C27_4 C26_4 C25_4 126(5) . . ?
C28_4 C27_4 C26_4 123(5) . . ?
C28_4 C27_4 H27_4 118.5 . . ?
C26_4 C27_4 H27_4 118.5 . . ?
C29_4 C28_4 C27_4 119(6) . . ?
C29_4 C28_4 H28_4 120.4 . . ?
C27_4 C28_4 H28_4 120.4 . . ?
C28_4 C29_4 C30_4 121(5) . . ?
C28_4 C29_4 C32_4 117(5) . . ?
C30_4 C29_4 C32_4 122(5) . . ?
C31_4 C30_4 C29_4 120(5) . . ?
C31_4 C30_4 H30_4 120.1 . . ?
C29_4 C30_4 H30_4 120.1 . . ?
C26_4 C31_4 C30_4 118(5) . . ?
C26_4 C31_4 H31_4 121.1 . . ?
C30_4 C31_4 H31_4 121.1 . . ?
C29_4 C32_4 N33_4 107(4) . . ?
C29_4 C32_4 H32A_4 110.4 . . ?
N33_4 C32_4 H32A_4 110.4 . . ?
C29_4 C32_4 H32B_4 110.4 . . ?
N33_4 C32_4 H32B_4 110.4 . . ?
H32A_4 C32_4 H32B_4 108.6 . . ?
C38_4 N33_4 C34_4 118(5) . . ?
C38_4 N33_4 C32_4 115(4) . . ?
C34_4 N33_4 C32_4 127(4) . . ?
C35_4 C34_4 N33_4 121(5) . . ?
C35_4 C34_4 H34_4 119.7 . . ?
N33_4 C34_4 H34_4 119.7 . . ?
C34_4 C35_4 C36_4 123(6) . . ?
C34_4 C35_4 H35_4 118.4 . . ?
C36_4 C35_4 H35_4 118.4 . . ?
C39_4 C36_4 C35_4 125(5) . . ?
C39_4 C36_4 C37_4 119(5) . . ?
C35_4 C36_4 C37_4 115(6) . . ?
C38_4 C37_4 C36_4 122(5) . . ?
C38_4 C37_4 H37_4 118.9 . . ?
C36_4 C37_4 H37_4 118.9 . . ?
C37_4 C38_4 N33_4 119(5) . . ?
C37_4 C38_4 H38_4 120.6 . . ?
N33_4 C38_4 H38_4 120.6 . . ?
C36_4 C39_4 N40_4 118(4) . . ?
C36_4 C39_4 N44_4 122(4) . . ?
N40_4 C39_4 N44_4 120.0 . . ?
C39_4 N40_4 C41_4 120.0 . . ?
N40_4 C41_4 N42_4 120.0 . . ?
N40_4 C41_4 C48_4 118(4) . . ?
N42_4 C41_4 C48_4 122(4) . . ?
C43_4 N42_4 C41_4 120.0 . . ?
N42_4 C43_4 N44_4 120.0 . . ?
N42_4 C43_4 C54_4 125(4) . . ?
N44_4 C43_4 C54_4 114(4) . . ?
C43_4 N44_4 C39_4 120.0 . . ?
C46_4 N45_4 C50_4 127(5) . . ?
C46_4 N45_4 Pd1_18 115(4) . . ?
C50_4 N45_4 Pd1_18 118(5) . . ?
N45_4 C46_4 C47_4 112(6) . . ?
N45_4 C46_4 H46_4 124.0 . . ?
C47_4 C46_4 H46_4 124.0 . . ?
C48_4 C47_4 C46_4 122(7) . . ?
C48_4 C47_4 H47_4 119.2 . . ?
C46_4 C47_4 H47_4 119.2 . . ?
C47_4 C48_4 C41_4 121(7) . . ?
C47_4 C48_4 C49_4 122(6) . . ?
C41_4 C48_4 C49_4 118(6) . . ?
C50_4 C49_4 C48_4 123(7) . . ?
C50_4 C49_4 H49_4 118.3 . . ?
C48_4 C49_4 H49_4 118.3 . . ?
C49_4 C50_4 N45_4 115(7) . . ?
C49_4 C50_4 H50_4 122.7 . . ?
N45_4 C50_4 H50_4 122.7 . . ?
C56_4 N51_4 C52_4 129(6) . . ?
C56_4 N51_4 Pd1_9 110(5) . . ?
C52_4 N51_4 Pd1_9 118(4) . . ?
N51_4 C52_4 C53_4 113(6) . . ?
N51_4 C52_4 H52_4 123.7 . . ?
C53_4 C52_4 H52_4 123.7 . . ?
C54_4 C53_4 C52_4 117(7) . . ?
C54_4 C53_4 H53_4 121.7 . . ?
C52_4 C53_4 H53_4 121.7 . . ?
C53_4 C54_4 C43_4 113(6) . . ?
C53_4 C54_4 C55_4 132(7) . . ?
C43_4 C54_4 C55_4 113(6) . . ?
C56_4 C55_4 C54_4 109(6) . . ?
C56_4 C55_4 H55_4 125.6 . . ?
C54_4 C55_4 H55_4 125.6 . . ?
N51_4 C56_4 C55_4 120(7) . . ?
N51_4 C56_4 H56_4 119.8 . . ?
C55_4 C56_4 H56_4 119.8 . . ?
C2_5 N1_5 C6_5 120.0 . . ?
C2_5 N1_5 Pd1_8 119(2) . . ?
C6_5 N1_5 Pd1_8 120(2) . . ?
C3_5 C2_5 N1_5 120.0 . . ?
C3_5 C2_5 H2_5 120.0 . . ?
N1_5 C2_5 H2_5 120.0 . . ?
C2_5 C3_5 C4_5 120.0 . . ?
C2_5 C3_5 H3_5 120.0 . . ?
C4_5 C3_5 H3_5 120.0 . . ?
C7_5 C4_5 C5_5 115(4) . . ?
C7_5 C4_5 C3_5 125(4) . . ?
C5_5 C4_5 C3_5 120.0 . . ?
C4_5 C5_5 C6_5 120.0 . . ?
C4_5 C5_5 H5_5 120.0 . . ?
C6_5 C5_5 H5_5 120.0 . . ?
C5_5 C6_5 N1_5 120.0 . . ?
C5_5 C6_5 H6_5 120.0 . . ?
N1_5 C6_5 H6_5 120.0 . . ?
C4_5 C7_5 N8_5 121(4) . . ?
C4_5 C7_5 N12_5 119(4) . . ?
N8_5 C7_5 N12_5 120.0 . . ?
C7_5 N8_5 C9_5 120.0 . . ?
N8_5 C9_5 N10_5 120.0 . . ?
N8_5 C9_5 C16_5 115(3) . . ?
N10_5 C9_5 C16_5 124(3) . . ?
C11_5 N10_5 C9_5 120.0 . . ?
C22_5 C11_5 N12_5 123(3) . . ?
C22_5 C11_5 N10_5 117(3) . . ?
N12_5 C11_5 N10_5 120.0 . . ?
C11_5 N12_5 C7_5 120.0 . . ?
C14_5 N13_5 C18_5 120.0 . . ?
C14_5 N13_5 Pd1_18 112(2) . . ?
C18_5 N13_5 Pd1_18 127(2) . . ?
N13_5 C14_5 C15_5 120.0 . . ?
N13_5 C14_5 H14_5 120.0 . . ?
C15_5 C14_5 H14_5 120.0 . . ?
C14_5 C15_5 C16_5 120.0 . . ?
C14_5 C15_5 H15_5 120.0 . . ?
C16_5 C15_5 H15_5 120.0 . . ?
C17_5 C16_5 C15_5 120.0 . . ?
C17_5 C16_5 C9_5 115(4) . . ?
C15_5 C16_5 C9_5 125(4) . . ?
C18_5 C17_5 C16_5 120.0 . . ?
C18_5 C17_5 H17_5 120.0 . . ?
C16_5 C17_5 H17_5 120.0 . . ?
C17_5 C18_5 N13_5 120.0 . . ?
C17_5 C18_5 H18_5 120.0 . . ?
N13_5 C18_5 H18_5 120.0 . . ?
C20_5 N19_5 C24_5 120.0 . . ?
C20_5 N19_5 C25_5 118(4) . . ?
C24_5 N19_5 C25_5 121(4) . . ?
C21_5 C20_5 N19_5 120.0 . . ?
C21_5 C20_5 H20_5 120.0 . . ?
N19_5 C20_5 H20_5 120.0 . . ?
C22_5 C21_5 C20_5 120.0 . . ?
C22_5 C21_5 H21_5 120.0 . . ?
C20_5 C21_5 H21_5 120.0 . . ?
C11_5 C22_5 C21_5 120(4) . . ?
C11_5 C22_5 C23_5 120(4) . . ?
C21_5 C22_5 C23_5 120.0 . . ?
C24_5 C23_5 C22_5 120.0 . . ?
C24_5 C23_5 H23_5 120.0 . . ?
C22_5 C23_5 H23_5 120.0 . . ?
C23_5 C24_5 N19_5 120.0 . . ?
C23_5 C24_5 H24_5 120.0 . . ?
N19_5 C24_5 H24_5 120.0 . . ?
N19_5 C25_5 C26_5 110(5) . . ?
N19_5 C25_5 H25A_5 109.7 . . ?
C26_5 C25_5 H25A_5 109.7 . . ?
N19_5 C25_5 H25B_5 109.7 . . ?
C26_5 C25_5 H25B_5 109.7 . . ?
H25A_5 C25_5 H25B_5 108.2 . . ?
C27_5 C26_5 C31_5 120.0 . . ?
C27_5 C26_5 C25_5 113(4) . . ?
C31_5 C26_5 C25_5 127(4) . . ?
C28_5 C27_5 C26_5 120.0 . . ?
C28_5 C27_5 H27_5 120.0 . . ?
C26_5 C27_5 H27_5 120.0 . . ?
C27_5 C28_5 C29_5 120.0 . . ?
C27_5 C28_5 H28_5 120.0 . . ?
C29_5 C28_5 H28_5 120.0 . . ?
C30_5 C29_5 C28_5 120.0 . . ?
C30_5 C29_5 C32_6 116(5) . . ?
C28_5 C29_5 C32_6 124(5) . . ?
C29_5 C30_5 C31_5 120.0 . . ?
C29_5 C30_5 H30_5 120.0 . . ?
C31_5 C30_5 H30_5 120.0 . . ?
C30_5 C31_5 C26_5 120.0 . . ?
C30_5 C31_5 H31_5 120.0 . . ?
C26_5 C31_5 H31_5 120.0 . . ?
C29_3 C32_5 N33_3 118(5) . . ?
C29_3 C32_5 H32A_5 107.7 . . ?
N33_3 C32_5 H32A_5 107.7 . . ?
C29_3 C32_5 H32B_5 107.7 . . ?
N33_3 C32_5 H32B_5 107.7 . . ?
H32A_5 C32_5 H32B_5 107.1 . . ?
C34_5 N33_5 C38_5 120.0 . . ?
C34_5 N33_5 C32_6 126(4) . . ?
C38_5 N33_5 C32_6 113(4) . . ?
C35_5 C34_5 N33_5 120.0 . . ?
C35_5 C34_5 H34_5 120.0 . . ?
N33_5 C34_5 H34_5 120.0 . . ?
C34_5 C35_5 C36_5 120.0 . . ?
C34_5 C35_5 H35_5 120.0 . . ?
C36_5 C35_5 H35_5 120.0 . . ?
C39_5 C36_5 C37_5 120(4) . . ?
C39_5 C36_5 C35_5 118(4) . . ?
C37_5 C36_5 C35_5 120.0 . . ?
C36_5 C37_5 C38_5 120.0 . . ?
C36_5 C37_5 H37_5 120.0 . . ?
C38_5 C37_5 H37_5 120.0 . . ?
C37_5 C38_5 N33_5 120.0 . . ?
C37_5 C38_5 H38_5 120.0 . . ?
N33_5 C38_5 H38_5 120.0 . . ?
C36_5 C39_5 N40_5 125(4) . . ?
C36_5 C39_5 N44_5 114(4) . . ?
N40_5 C39_5 N44_5 120.0 . . ?
C41_5 N40_5 C39_5 120.0 . . ?
C54_5 C41_5 N40_5 123(4) . . ?
C54_5 C41_5 N42_5 117(4) . . ?
N40_5 C41_5 N42_5 120.0 . . ?
C43_5 N42_5 C41_5 120.0 . . ?
N42_5 C43_5 N44_5 120.0 . . ?
N42_5 C43_5 C46_5 108(3) . . ?
N44_5 C43_5 C46_5 130(3) . . ?
C43_5 N44_5 C39_5 120.0 . . ?
C52_5 N51_5 C56_5 120.0 . . ?
C52_5 N51_5 Pd1_8 123(2) . . ?
C56_5 N51_5 Pd1_8 116(2) . . ?
N51_5 C52_5 C53_5 120.0 . . ?
N51_5 C52_5 H52_5 120.0 . . ?
C53_5 C52_5 H52_5 120.0 . . ?
C54_5 C53_5 C52_5 120.0 . . ?
C54_5 C53_5 H53_5 120.0 . . ?
C52_5 C53_5 H53_5 120.0 . . ?
C41_5 C54_5 C53_5 126(4) . . ?
C41_5 C54_5 C55_5 114(4) . . ?
C53_5 C54_5 C55_5 120.0 . . ?
C56_5 C55_5 C54_5 120.0 . . ?
C56_5 C55_5 H55_5 120.0 . . ?
C54_5 C55_5 H55_5 120.0 . . ?
C55_5 C56_5 N51_5 120.0 . . ?
C55_5 C56_5 H56_5 120.0 . . ?
N51_5 C56_5 H56_5 120.0 . . ?
C44_5 N43_5 C48_5 120.0 . . ?
C44_5 N43_5 Pd1_11 122(3) . . ?
C48_5 N43_5 Pd1_11 116(2) . . ?
C45_5 C44_5 N43_5 120.0 . . ?
C45_5 C44_5 H44_5 120.0 . . ?
N43_5 C44_5 H44_5 120.0 . . ?
C46_5 C45_5 C44_5 120.0 . . ?
C46_5 C45_5 H45_5 120.0 . . ?
C44_5 C45_5 H45_5 120.0 . . ?
C45_5 C46_5 C47_5 120.0 . . ?
C45_5 C46_5 C43_5 107(3) . . ?
C47_5 C46_5 C43_5 133(3) . . ?
C48_5 C47_5 C46_5 120.0 . . ?
C48_5 C47_5 H47_5 120.0 . . ?
C46_5 C47_5 H47_5 120.0 . . ?
C47_5 C48_5 N43_5 120.0 . . ?
C47_5 C48_5 H48_5 120.0 . . ?
N43_5 C48_5 H48_5 120.0 . . ?
C46_6 N45_6 C50_6 120.0 . . ?
C46_6 N45_6 Pd1_17 123(2) . . ?
C50_6 N45_6 Pd1_17 115(2) . . ?
N45_6 C46_6 C47_6 120.0 . . ?
N45_6 C46_6 H46_6 120.0 . . ?
C47_6 C46_6 H46_6 120.0 . . ?
C48_6 C47_6 C46_6 120.0 . . ?
C48_6 C47_6 H47_6 120.0 . . ?
C46_6 C47_6 H47_6 120.0 . . ?
C43_3 C48_6 C47_6 118(4) . . ?
C43_3 C48_6 C49_6 121(4) . . ?
C47_6 C48_6 C49_6 120.0 . . ?
C48_6 C49_6 C50_6 120.0 . . ?
C48_6 C49_6 H49_6 120.0 . . ?
C50_6 C49_6 H49_6 120.0 . . ?
N45_6 C50_6 C49_6 120.0 . . ?
N45_6 C50_6 H50_6 120.0 . . ?
C49_6 C50_6 H50_6 120.0 . . ?
C29_5 C32_6 N33_5 109(4) . . ?
C29_5 C32_6 H32A_6 109.8 . . ?
N33_5 C32_6 H32A_6 109.8 . . ?
C29_5 C32_6 H32B_6 109.8 . . ?
N33_5 C32_6 H32B_6 109.8 . . ?
H32A_6 C32_6 H32B_6 108.3 . . ?
C2_7 N1_7 C6_7 120.0 . . ?
C2_7 N1_7 Pd1_12 121(3) . . ?
C6_7 N1_7 Pd1_12 118(2) . . ?
N1_7 C2_7 C3_7 120.0 . . ?
N1_7 C2_7 H2_7 120.0 . . ?
C3_7 C2_7 H2_7 120.0 . . ?
C4_7 C3_7 C2_7 120.0 . . ?
C4_7 C3_7 H3_7 120.0 . . ?
C2_7 C3_7 H3_7 120.0 . . ?
N8_7 C4_7 C3_7 122(4) . . ?
N8_7 C4_7 C5_7 118(4) . . ?
C3_7 C4_7 C5_7 120.0 . . ?
C4_7 C5_7 C6_7 120.0 . . ?
C4_7 C5_7 H5_7 120.0 . . ?
C6_7 C5_7 H5_7 120.0 . . ?
C5_7 C6_7 N1_7 120.0 . . ?
C5_7 C6_7 H6_7 120.0 . . ?
N1_7 C6_7 H6_7 120.0 . . ?
N8_7 C7_7 N12_7 120.0 . . ?
C4_7 N8_7 C9_7 118(4) . . ?
C4_7 N8_7 C7_7 121(4) . . ?
C9_7 N8_7 C7_7 120.0 . . ?
N8_7 C9_7 N10_7 120.0 . . ?
C11_7 N10_7 C9_7 120.0 . . ?
C11_7 N10_7 C22_7 115(4) . . ?
C9_7 N10_7 C22_7 125(4) . . ?
N10_7 C11_7 N12_7 120.0 . . ?
C11_7 N12_7 C7_7 120.0 . . ?
C11_7 N12_7 C16_7 121(4) . . ?
C7_7 N12_7 C16_7 117(4) . . ?
C14_7 N13_7 C18_7 120.0 . . ?
C14_7 N13_7 Pd1_17 115(2) . . ?
C18_7 N13_7 Pd1_17 125(2) . . ?
C15_7 C14_7 N13_7 120.0 . . ?
C15_7 C14_7 H14_7 120.0 . . ?
N13_7 C14_7 H14_7 120.0 . . ?
C14_7 C15_7 C16_7 120.0 . . ?
C14_7 C15_7 H15_7 120.0 . . ?
C16_7 C15_7 H15_7 120.0 . . ?
C17_7 C16_7 C15_7 120.00(6) . . ?
C17_7 C16_7 N12_7 117(4) . . ?
C15_7 C16_7 N12_7 122(4) . . ?
C16_7 C17_7 C18_7 120.0 . . ?
C16_7 C17_7 H17_7 120.0 . . ?
C18_7 C17_7 H17_7 120.0 . . ?
C17_7 C18_7 N13_7 120.0 . . ?
C17_7 C18_7 H18_7 120.0 . . ?
N13_7 C18_7 H18_7 120.0 . . ?
C20_7 N19_7 C24_7 120.0 . . ?
C20_7 N19_7 C25_7 121(4) . . ?
C24_7 N19_7 C25_7 118(4) . . ?
N19_7 C20_7 C21_7 120.0 . . ?
N19_7 C20_7 H20_7 120.0 . . ?
C21_7 C20_7 H20_7 120.0 . . ?
C20_7 C21_7 C22_7 120.0 . . ?
C20_7 C21_7 H21_7 120.0 . . ?
C22_7 C21_7 H21_7 120.0 . . ?
C23_7 C22_7 C21_7 120.0 . . ?
C23_7 C22_7 N10_7 125(3) . . ?
C21_7 C22_7 N10_7 115(3) . . ?
C22_7 C23_7 C24_7 120.0 . . ?
C22_7 C23_7 H23_7 120.0 . . ?
C24_7 C23_7 H23_7 120.0 . . ?
C23_7 C24_7 N19_7 120.0 . . ?
C23_7 C24_7 H24_7 120.0 . . ?
N19_7 C24_7 H24_7 120.0 . . ?
N19_7 C25_7 C26_7 109(4) . . ?
N19_7 C25_7 H25A_7 109.8 . . ?
C26_7 C25_7 H25A_7 109.8 . . ?
N19_7 C25_7 H25B_7 109.8 . . ?
C26_7 C25_7 H25B_7 109.8 . . ?
H25A_7 C25_7 H25B_7 108.3 . . ?
C27_7 C26_7 C31_7 120.0 . . ?
C27_7 C26_7 C25_7 124(4) . . ?
C31_7 C26_7 C25_7 114(4) . . ?
C28_7 C27_7 C26_7 120.0 . . ?
C28_7 C27_7 H27_7 120.0 . . ?
C26_7 C27_7 H27_7 120.0 . . ?
C27_7 C28_7 C29_7 120.0 . . ?
C27_7 C28_7 H28_7 120.0 . . ?
C29_7 C28_7 H28_7 120.0 . . ?
C32_7 C29_7 C28_7 110(4) . . ?
C32_7 C29_7 C30_7 129(4) . . ?
C28_7 C29_7 C30_7 120.0 . . ?
C31_7 C30_7 C29_7 120.0 . . ?
C31_7 C30_7 H30_7 120.0 . . ?
C29_7 C30_7 H30_7 120.0 . . ?
C30_7 C31_7 C26_7 120.0 . . ?
C30_7 C31_7 H31_7 120.0 . . ?
C26_7 C31_7 H31_7 120.0 . . ?
N33_7 C32_7 C29_7 109(4) . . ?
N33_7 C32_7 H32A_7 109.9 . . ?
C29_7 C32_7 H32A_7 109.9 . . ?
N33_7 C32_7 H32B_7 109.9 . . ?
C29_7 C32_7 H32B_7 109.9 . . ?
H32A_7 C32_7 H32B_7 108.3 . . ?
C32_7 N33_7 C34_7 131(3) . . ?
C32_7 N33_7 C38_7 109(3) . . ?
C34_7 N33_7 C38_7 120.0 . . ?
C35_7 C34_7 N33_7 120.0 . . ?
C35_7 C34_7 H34_7 120.0 . . ?
N33_7 C34_7 H34_7 120.0 . . ?
C36_7 C35_7 C34_7 120.0 . . ?
C36_7 C35_7 H35_7 120.0 . . ?
C34_7 C35_7 H35_7 120.0 . . ?
C35_7 C36_7 C37_7 120.0 . . ?
C35_7 C36_7 C39_7 116(3) . . ?
C37_7 C36_7 C39_7 123(3) . . ?
C36_7 C37_7 C38_7 120.0 . . ?
C36_7 C37_7 H37_7 120.0 . . ?
C38_7 C37_7 H37_7 120.0 . . ?
C37_7 C38_7 N33_7 120.0 . . ?
C37_7 C38_7 H38_7 120.0 . . ?
N33_7 C38_7 H38_7 120.0 . . ?
N40_7 C39_7 N44_7 120.0 . . ?
N40_7 C39_7 C36_7 121(3) . . ?
N44_7 C39_7 C36_7 119(3) . . ?
C41_7 N40_7 C39_7 120.0 . . ?
C48_7 C41_7 N40_7 118(3) . . ?
C48_7 C41_7 N42_7 121(3) . . ?
N40_7 C41_7 N42_7 120.0 . . ?
C43_7 N42_7 C41_7 120.0 . . ?
N42_7 C43_7 N44_7 120.0 . . ?
N42_7 C43_7 C54_7 115(3) . . ?
N44_7 C43_7 C54_7 125(3) . . ?
C43_7 N44_7 C39_7 120.0 . . ?
C50_7 N45_7 C46_7 120.0 . . ?
C50_7 N45_7 Pd1_13 124(2) . . ?
C46_7 N45_7 Pd1_13 116(2) . . ?
C47_7 C46_7 N45_7 120.0 . . ?
C47_7 C46_7 H46_7 120.0 . . ?
N45_7 C46_7 H46_7 120.0 . . ?
C48_7 C47_7 C46_7 120.0 . . ?
C48_7 C47_7 H47_7 120.0 . . ?
C46_7 C47_7 H47_7 120.0 . . ?
C41_7 C48_7 C47_7 118(3) . . ?
C41_7 C48_7 C49_7 122(3) . . ?
C47_7 C48_7 C49_7 120.0 . . ?
C50_7 C49_7 C48_7 120.0 . . ?
C50_7 C49_7 H49_7 120.0 . . ?
C48_7 C49_7 H49_7 120.0 . . ?
C49_7 C50_7 N45_7 120.0 . . ?
C49_7 C50_7 H50_7 120.0 . . ?
N45_7 C50_7 H50_7 120.0 . . ?
C52_7 N51_7 C56_7 120.0 . . ?
C52_7 N51_7 Pd1_12 117(2) . . ?
C56_7 N51_7 Pd1_12 123(2) . . ?
N51_7 C52_7 C53_7 120.0 . . ?
N51_7 C52_7 H52_7 120.0 . . ?
C53_7 C52_7 H52_7 120.0 . . ?
C54_7 C53_7 C52_7 120.0 . . ?
C54_7 C53_7 H53_7 120.0 . . ?
C52_7 C53_7 H53_7 120.0 . . ?
C53_7 C54_7 C55_7 120.0 . . ?
C53_7 C54_7 C43_7 118(3) . . ?
C55_7 C54_7 C43_7 120(3) . . ?
C56_7 C55_7 C54_7 120.0 . . ?
C56_7 C55_7 H55_7 120.0 . . ?
C54_7 C55_7 H55_7 120.0 . . ?
C55_7 C56_7 N51_7 120.0 . . ?
C55_7 C56_7 H56_7 120.0 . . ?
N51_7 C56_7 H56_7 120.0 . . ?
N1_5 Pd1_8 N51_5 82.6(15) . . ?
N1_5 Pd1_8 N6_8 98.2(14) . . ?
N51_5 Pd1_8 N6_8 179.0(14) . . ?
N1_5 Pd1_8 N3_8 176.1(15) . . ?
N51_5 Pd1_8 N3_8 93.6(14) . . ?
N6_8 Pd1_8 N3_8 85.6(12) . . ?
N3_8 C1_8 H1A_8 109.5 . . ?
N3_8 C1_8 H1B_8 109.5 . . ?
H1A_8 C1_8 H1B_8 109.5 . . ?
N3_8 C1_8 H1C_8 109.5 . . ?
H1A_8 C1_8 H1C_8 109.5 . . ?
H1B_8 C1_8 H1C_8 109.5 . . ?
N3_8 C2_8 H2A_8 109.5 . . ?
N3_8 C2_8 H2B_8 109.5 . . ?
H2A_8 C2_8 H2B_8 109.5 . . ?
N3_8 C2_8 H2C_8 109.5 . . ?
H2A_8 C2_8 H2C_8 109.5 . . ?
H2B_8 C2_8 H2C_8 109.5 . . ?
C4_8 N3_8 C1_8 112(3) . . ?
C4_8 N3_8 C2_8 113(3) . . ?
C1_8 N3_8 C2_8 109(3) . . ?
C4_8 N3_8 Pd1_8 103(2) . . ?
C1_8 N3_8 Pd1_8 102(3) . . ?
C2_8 N3_8 Pd1_8 119(3) . . ?
C5_8 C4_8 N3_8 109(3) . . ?
C5_8 C4_8 H4A_8 109.9 . . ?
N3_8 C4_8 H4A_8 109.9 . . ?
C5_8 C4_8 H4B_8 109.9 . . ?
N3_8 C4_8 H4B_8 109.9 . . ?
H4A_8 C4_8 H4B_8 108.3 . . ?
N6_8 C5_8 C4_8 111(3) . . ?
N6_8 C5_8 H5A_8 109.5 . . ?
C4_8 C5_8 H5A_8 109.5 . . ?
N6_8 C5_8 H5B_8 109.5 . . ?
C4_8 C5_8 H5B_8 109.5 . . ?
H5A_8 C5_8 H5B_8 108.1 . . ?
C5_8 N6_8 C8_8 116(3) . . ?
C5_8 N6_8 C7_8 116(3) . . ?
C8_8 N6_8 C7_8 105(3) . . ?
C5_8 N6_8 Pd1_8 101(2) . . ?
C8_8 N6_8 Pd1_8 117(3) . . ?
C7_8 N6_8 Pd1_8 101(3) . . ?
N6_8 C7_8 H7A_8 109.5 . . ?
N6_8 C7_8 H7B_8 109.5 . . ?
H7A_8 C7_8 H7B_8 109.5 . . ?
N6_8 C7_8 H7C_8 109.5 . . ?
H7A_8 C7_8 H7C_8 109.5 . . ?
H7B_8 C7_8 H7C_8 109.5 . . ?
N6_8 C8_8 H8A_8 109.5 . . ?
N6_8 C8_8 H8B_8 109.5 . . ?
H8A_8 C8_8 H8B_8 109.5 . . ?
N6_8 C8_8 H8C_8 109.5 . . ?
H8A_8 C8_8 H8C_8 109.5 . . ?
H8B_8 C8_8 H8C_8 109.5 . . ?
N6_9 Pd1_9 N1_4 173.4(16) . . ?
N6_9 Pd1_9 N3_9 89.1(13) . . ?
N1_4 Pd1_9 N3_9 87.8(14) . . ?
N6_9 Pd1_9 N51_4 95.5(17) . . ?
N1_4 Pd1_9 N51_4 86.2(17) . . ?
N3_9 Pd1_9 N51_4 166(2) . . ?
N3_9 C1_9 H1A_9 109.5 . . ?
N3_9 C1_9 H1B_9 109.5 . . ?
H1A_9 C1_9 H1B_9 109.5 . . ?
N3_9 C1_9 H1C_9 109.5 . . ?
H1A_9 C1_9 H1C_9 109.5 . . ?
H1B_9 C1_9 H1C_9 109.5 . . ?
N3_9 C2_9 H2A_9 109.5 . . ?
N3_9 C2_9 H2B_9 109.5 . . ?
H2A_9 C2_9 H2B_9 109.5 . . ?
N3_9 C2_9 H2C_9 109.5 . . ?
H2A_9 C2_9 H2C_9 109.5 . . ?
H2B_9 C2_9 H2C_9 109.5 . . ?
C4_9 N3_9 C2_9 111(3) . . ?
C4_9 N3_9 C1_9 114(3) . . ?
C2_9 N3_9 C1_9 112(3) . . ?
C4_9 N3_9 Pd1_9 102(2) . . ?
C2_9 N3_9 Pd1_9 94(3) . . ?
C1_9 N3_9 Pd1_9 122(3) . . ?
C5_9 C4_9 N3_9 113(3) . . ?
C5_9 C4_9 H4A_9 109.0 . . ?
N3_9 C4_9 H4A_9 109.0 . . ?
C5_9 C4_9 H4B_9 109.0 . . ?
N3_9 C4_9 H4B_9 109.0 . . ?
H4A_9 C4_9 H4B_9 107.8 . . ?
C4_9 C5_9 N6_9 114(3) . . ?
C4_9 C5_9 H5A_9 108.7 . . ?
N6_9 C5_9 H5A_9 108.7 . . ?
C4_9 C5_9 H5B_9 108.7 . . ?
N6_9 C5_9 H5B_9 108.7 . . ?
H5A_9 C5_9 H5B_9 107.6 . . ?
C7_9 N6_9 C5_9 112(3) . . ?
C7_9 N6_9 C8_9 103(3) . . ?
C5_9 N6_9 C8_9 113(3) . . ?
C7_9 N6_9 Pd1_9 112(3) . . ?
C5_9 N6_9 Pd1_9 106(2) . . ?
C8_9 N6_9 Pd1_9 111(3) . . ?
N6_9 C7_9 H7A_9 109.5 . . ?
N6_9 C7_9 H7B_9 109.5 . . ?
H7A_9 C7_9 H7B_9 109.5 . . ?
N6_9 C7_9 H7C_9 109.5 . . ?
H7A_9 C7_9 H7C_9 109.5 . . ?
H7B_9 C7_9 H7C_9 109.5 . . ?
N6_9 C8_9 H8A_9 109.5 . . ?
N6_9 C8_9 H8B_9 109.5 . . ?
H8A_9 C8_9 H8B_9 109.5 . . ?
N6_9 C8_9 H8C_9 109.5 . . ?
H8A_9 C8_9 H8C_9 109.5 . . ?
H8B_9 C8_9 H8C_9 109.5 . . ?
N13_2 Pd1_10 N51_1 80.3(15) . . ?
N13_2 Pd1_10 N3_10 97.5(13) . . ?
N51_1 Pd1_10 N3_10 173.0(16) . . ?
N13_2 Pd1_10 N6_10 175.2(14) . . ?
N51_1 Pd1_10 N6_10 95.7(14) . . ?
N3_10 Pd1_10 N6_10 86.1(12) . . ?
N3_10 C1_10 H1A_10 109.5 . . ?
N3_10 C1_10 H1B_10 109.5 . . ?
H1A_10 C1_10 H1B_10 109.5 . . ?
N3_10 C1_10 H1C_10 109.5 . . ?
H1A_10 C1_10 H1C_10 109.5 . . ?
H1B_10 C1_10 H1C_10 109.5 . . ?
N3_10 C2_10 H2A_10 109.5 . . ?
N3_10 C2_10 H2B_10 109.5 . . ?
H2A_10 C2_10 H2B_10 109.5 . . ?
N3_10 C2_10 H2C_10 109.5 . . ?
H2A_10 C2_10 H2C_10 109.5 . . ?
H2B_10 C2_10 H2C_10 109.5 . . ?
C2_10 N3_10 C4_10 114(2) . . ?
C2_10 N3_10 C1_10 113(3) . . ?
C4_10 N3_10 C1_10 111(2) . . ?
C2_10 N3_10 Pd1_10 104(3) . . ?
C4_10 N3_10 Pd1_10 101(2) . . ?
C1_10 N3_10 Pd1_10 114(3) . . ?
C5_10 C4_10 N3_10 108(3) . . ?
C5_10 C4_10 H4A_10 110.0 . . ?
N3_10 C4_10 H4A_10 110.0 . . ?
C5_10 C4_10 H4B_10 110.0 . . ?
N3_10 C4_10 H4B_10 110.0 . . ?
H4A_10 C4_10 H4B_10 108.4 . . ?
C4_10 C5_10 N6_10 107(3) . . ?
C4_10 C5_10 H5A_10 110.3 . . ?
N6_10 C5_10 H5A_10 110.3 . . ?
C4_10 C5_10 H5B_10 110.3 . . ?
N6_10 C5_10 H5B_10 110.3 . . ?
H5A_10 C5_10 H5B_10 108.6 . . ?
C5_10 N6_10 C8_10 116(3) . . ?
C5_10 N6_10 C7_10 115(3) . . ?
C8_10 N6_10 C7_10 106(3) . . ?
C5_10 N6_10 Pd1_10 105(2) . . ?
C8_10 N6_10 Pd1_10 108(3) . . ?
C7_10 N6_10 Pd1_10 106(3) . . ?
N6_10 C7_10 H7A_10 109.5 . . ?
N6_10 C7_10 H7B_10 109.5 . . ?
H7A_10 C7_10 H7B_10 109.5 . . ?
N6_10 C7_10 H7C_10 109.5 . . ?
H7A_10 C7_10 H7C_10 109.5 . . ?
H7B_10 C7_10 H7C_10 109.5 . . ?
N6_10 C8_10 H8A_10 109.5 . . ?
N6_10 C8_10 H8B_10 109.5 . . ?
H8A_10 C8_10 H8B_10 109.5 . . ?
N6_10 C8_10 H8C_10 109.5 . . ?
H8A_10 C8_10 H8C_10 109.5 . . ?
H8B_10 C8_10 H8C_10 109.5 . . ?
N43_5 Pd1_11 N13_4 80.7(17) . . ?
N43_5 Pd1_11 N3_11 98.0(15) . . ?
N13_4 Pd1_11 N3_11 176.9(18) . . ?
N43_5 Pd1_11 N6_11 171.3(18) . . ?
N13_4 Pd1_11 N6_11 94.7(16) . . ?
N3_11 Pd1_11 N6_11 86.9(13) . . ?
N3_11 C1_11 H1A_11 109.5 . . ?
N3_11 C1_11 H1B_11 109.5 . . ?
H1A_11 C1_11 H1B_11 109.5 . . ?
N3_11 C1_11 H1C_11 109.5 . . ?
H1A_11 C1_11 H1C_11 109.5 . . ?
H1B_11 C1_11 H1C_11 109.5 . . ?
N3_11 C2_11 H2A_11 109.5 . . ?
N3_11 C2_11 H2B_11 109.5 . . ?
H2A_11 C2_11 H2B_11 109.5 . . ?
N3_11 C2_11 H2C_11 109.5 . . ?
H2A_11 C2_11 H2C_11 109.5 . . ?
H2B_11 C2_11 H2C_11 109.5 . . ?
C4_11 N3_11 C1_11 110(3) . . ?
C4_11 N3_11 C2_11 111(3) . . ?
C1_11 N3_11 C2_11 109(3) . . ?
C4_11 N3_11 Pd1_11 105(2) . . ?
C1_11 N3_11 Pd1_11 117(3) . . ?
C2_11 N3_11 Pd1_11 105(3) . . ?
C5_11 C4_11 N3_11 109(3) . . ?
C5_11 C4_11 H4A_11 109.9 . . ?
N3_11 C4_11 H4A_11 109.9 . . ?
C5_11 C4_11 H4B_11 109.9 . . ?
N3_11 C4_11 H4B_11 109.9 . . ?
H4A_11 C4_11 H4B_11 108.3 . . ?
C4_11 C5_11 N6_11 113(3) . . ?
C4_11 C5_11 H5A_11 109.0 . . ?
N6_11 C5_11 H5A_11 109.0 . . ?
C4_11 C5_11 H5B_11 109.0 . . ?
N6_11 C5_11 H5B_11 109.0 . . ?
H5A_11 C5_11 H5B_11 107.8 . . ?
C8_11 N6_11 C7_11 106(3) . . ?
C8_11 N6_11 C5_11 113(3) . . ?
C7_11 N6_11 C5_11 113(3) . . ?
C8_11 N6_11 Pd1_11 120(3) . . ?
C7_11 N6_11 Pd1_11 102(3) . . ?
C5_11 N6_11 Pd1_11 103(2) . . ?
N6_11 C7_11 H7A_11 109.5 . . ?
N6_11 C7_11 H7B_11 109.5 . . ?
H7A_11 C7_11 H7B_11 109.5 . . ?
N6_11 C7_11 H7C_11 109.5 . . ?
H7A_11 C7_11 H7C_11 109.5 . . ?
H7B_11 C7_11 H7C_11 109.5 . . ?
N6_11 C8_11 H8A_11 109.5 . . ?
N6_11 C8_11 H8B_11 109.5 . . ?
H8A_11 C8_11 H8B_11 109.5 . . ?
N6_11 C8_11 H8C_11 109.5 . . ?
H8A_11 C8_11 H8C_11 109.5 . . ?
H8B_11 C8_11 H8C_11 109.5 . . ?
N51_7 Pd1_12 N1_7 84.5(14) . . ?
N51_7 Pd1_12 N6_12 95.2(14) . . ?
N1_7 Pd1_12 N6_12 178(2) . . ?
N51_7 Pd1_12 N3_12 177.4(18) . . ?
N1_7 Pd1_12 N3_12 96.8(13) . . ?
N6_12 Pd1_12 N3_12 83.4(12) . . ?
N3_12 C1_12 H1A_12 109.5 . . ?
N3_12 C1_12 H1B_12 109.5 . . ?
H1A_12 C1_12 H1B_12 109.5 . . ?
N3_12 C1_12 H1C_12 109.5 . . ?
H1A_12 C1_12 H1C_12 109.5 . . ?
H1B_12 C1_12 H1C_12 109.5 . . ?
N3_12 C2_12 H2A_12 109.5 . . ?
N3_12 C2_12 H2B_12 109.5 . . ?
H2A_12 C2_12 H2B_12 109.5 . . ?
N3_12 C2_12 H2C_12 109.5 . . ?
H2A_12 C2_12 H2C_12 109.5 . . ?
H2B_12 C2_12 H2C_12 109.5 . . ?
C1_12 N3_12 C4_12 113(3) . . ?
C1_12 N3_12 C2_12 113(3) . . ?
C4_12 N3_12 C2_12 112(3) . . ?
C1_12 N3_12 Pd1_12 104(3) . . ?
C4_12 N3_12 Pd1_12 109(2) . . ?
C2_12 N3_12 Pd1_12 106(3) . . ?
C5_12 C4_12 N3_12 110(3) . . ?
C5_12 C4_12 H4A_12 109.7 . . ?
N3_12 C4_12 H4A_12 109.7 . . ?
C5_12 C4_12 H4B_12 109.7 . . ?
N3_12 C4_12 H4B_12 109.7 . . ?
H4A_12 C4_12 H4B_12 108.2 . . ?
C4_12 C5_12 N6_12 112(3) . . ?
C4_12 C5_12 H5A_12 109.1 . . ?
N6_12 C5_12 H5A_12 109.1 . . ?
C4_12 C5_12 H5B_12 109.1 . . ?
N6_12 C5_12 H5B_12 109.1 . . ?
H5A_12 C5_12 H5B_12 107.8 . . ?
C7_12 N6_12 C5_12 114(3) . . ?
C7_12 N6_12 C8_12 104(3) . . ?
C5_12 N6_12 C8_12 113(3) . . ?
C7_12 N6_12 Pd1_12 102(3) . . ?
C5_12 N6_12 Pd1_12 106(2) . . ?
C8_12 N6_12 Pd1_12 117(3) . . ?
N6_12 C7_12 H7A_12 109.5 . . ?
N6_12 C7_12 H7B_12 109.5 . . ?
H7A_12 C7_12 H7B_12 109.5 . . ?
N6_12 C7_12 H7C_12 109.5 . . ?
H7A_12 C7_12 H7C_12 109.5 . . ?
H7B_12 C7_12 H7C_12 109.5 . . ?
N6_12 C8_12 H8A_12 109.5 . . ?
N6_12 C8_12 H8B_12 109.5 . . ?
H8A_12 C8_12 H8B_12 109.5 . . ?
N6_12 C8_12 H8C_12 109.5 . . ?
H8A_12 C8_12 H8C_12 109.5 . . ?
H8B_12 C8_12 H8C_12 109.5 . . ?
N1_3 Pd1_13 N45_7 85.6(14) . . ?
N1_3 Pd1_13 N6_13 94.9(13) . . ?
N45_7 Pd1_13 N6_13 177.7(15) . . ?
N1_3 Pd1_13 N3_13 172.5(14) . . ?
N45_7 Pd1_13 N3_13 94.5(13) . . ?
N6_13 Pd1_13 N3_13 85.3(11) . . ?
N3_13 C1_13 H1A_13 109.5 . . ?
N3_13 C1_13 H1B_13 109.5 . . ?
H1A_13 C1_13 H1B_13 109.5 . . ?
N3_13 C1_13 H1C_13 109.5 . . ?
H1A_13 C1_13 H1C_13 109.5 . . ?
H1B_13 C1_13 H1C_13 109.5 . . ?
N3_13 C2_13 H2A_13 109.5 . . ?
N3_13 C2_13 H2B_13 109.5 . . ?
H2A_13 C2_13 H2B_13 109.5 . . ?
N3_13 C2_13 H2C_13 109.5 . . ?
H2A_13 C2_13 H2C_13 109.5 . . ?
H2B_13 C2_13 H2C_13 109.5 . . ?
C4_13 N3_13 C1_13 110(3) . . ?
C4_13 N3_13 C2_13 113(3) . . ?
C1_13 N3_13 C2_13 110(3) . . ?
C4_13 N3_13 Pd1_13 108(2) . . ?
C1_13 N3_13 Pd1_13 113(3) . . ?
C2_13 N3_13 Pd1_13 104(3) . . ?
C5_13 C4_13 N3_13 112(3) . . ?
C5_13 C4_13 H4A_13 109.3 . . ?
N3_13 C4_13 H4A_13 109.3 . . ?
C5_13 C4_13 H4B_13 109.3 . . ?
N3_13 C4_13 H4B_13 109.3 . . ?
H4A_13 C4_13 H4B_13 108.0 . . ?
C4_13 C5_13 N6_13 117(3) . . ?
C4_13 C5_13 H5A_13 108.0 . . ?
N6_13 C5_13 H5A_13 108.0 . . ?
C4_13 C5_13 H5B_13 108.0 . . ?
N6_13 C5_13 H5B_13 108.0 . . ?
H5A_13 C5_13 H5B_13 107.2 . . ?
C5_13 N6_13 C7_13 117(3) . . ?
C5_13 N6_13 C8_13 113(3) . . ?
C7_13 N6_13 C8_13 102(3) . . ?
C5_13 N6_13 Pd1_13 104(2) . . ?
C7_13 N6_13 Pd1_13 108(3) . . ?
C8_13 N6_13 Pd1_13 113(3) . . ?
N6_13 C7_13 H7A_13 109.5 . . ?
N6_13 C7_13 H7B_13 109.5 . . ?
H7A_13 C7_13 H7B_13 109.5 . . ?
N6_13 C7_13 H7C_13 109.5 . . ?
H7A_13 C7_13 H7C_13 109.5 . . ?
H7B_13 C7_13 H7C_13 109.5 . . ?
N6_13 C8_13 H8A_13 109.5 . . ?
N6_13 C8_13 H8B_13 109.5 . . ?
H8A_13 C8_13 H8B_13 109.5 . . ?
N6_13 C8_13 H8C_13 109.5 . . ?
H8A_13 C8_13 H8C_13 109.5 . . ?
H8B_13 C8_13 H8C_13 109.5 . . ?
N45_1 Pd1_14 N1_1 84.1(15) . . ?
N45_1 Pd1_14 N6_14 177.5(18) . . ?
N1_1 Pd1_14 N6_14 93.9(15) . . ?
N45_1 Pd1_14 N3_14 95.2(16) . . ?
N1_1 Pd1_14 N3_14 176.1(19) . . ?
N6_14 Pd1_14 N3_14 86.7(14) . . ?
N3_14 C1_14 H1A_14 109.5 . . ?
N3_14 C1_14 H1B_14 109.5 . . ?
H1A_14 C1_14 H1B_14 109.5 . . ?
N3_14 C1_14 H1C_14 109.5 . . ?
H1A_14 C1_14 H1C_14 109.5 . . ?
H1B_14 C1_14 H1C_14 109.5 . . ?
N3_14 C2_14 H2A_14 109.5 . . ?
N3_14 C2_14 H2B_14 109.5 . . ?
H2A_14 C2_14 H2B_14 109.5 . . ?
N3_14 C2_14 H2C_14 109.5 . . ?
H2A_14 C2_14 H2C_14 109.5 . . ?
H2B_14 C2_14 H2C_14 109.5 . . ?
C4_14 N3_14 C2_14 116(3) . . ?
C4_14 N3_14 C1_14 114(3) . . ?
C2_14 N3_14 C1_14 109(3) . . ?
C4_14 N3_14 Pd1_14 104(2) . . ?
C2_14 N3_14 Pd1_14 111(4) . . ?
C1_14 N3_14 Pd1_14 102(4) . . ?
N3_14 C4_14 C5_14 113(3) . . ?
N3_14 C4_14 H4A_14 108.9 . . ?
C5_14 C4_14 H4A_14 108.9 . . ?
N3_14 C4_14 H4B_14 108.9 . . ?
C5_14 C4_14 H4B_14 108.9 . . ?
H4A_14 C4_14 H4B_14 107.7 . . ?
N6_14 C5_14 C4_14 113(3) . . ?
N6_14 C5_14 H5A_14 108.9 . . ?
C4_14 C5_14 H5A_14 108.9 . . ?
N6_14 C5_14 H5B_14 108.9 . . ?
C4_14 C5_14 H5B_14 108.9 . . ?
H5A_14 C5_14 H5B_14 107.7 . . ?
C5_14 N6_14 C7_14 111(2) . . ?
C5_14 N6_14 C8_14 111(2) . . ?
C7_14 N6_14 C8_14 108(2) . . ?
C5_14 N6_14 Pd1_14 100(3) . . ?
C7_14 N6_14 Pd1_14 110(4) . . ?
C8_14 N6_14 Pd1_14 117(4) . . ?
N6_14 C7_14 H7A_14 109.5 . . ?
N6_14 C7_14 H7B_14 109.5 . . ?
H7A_14 C7_14 H7B_14 109.5 . . ?
N6_14 C7_14 H7C_14 109.5 . . ?
H7A_14 C7_14 H7C_14 109.5 . . ?
H7B_14 C7_14 H7C_14 109.5 . . ?
N6_14 C8_14 H8A_14 109.5 . . ?
N6_14 C8_14 H8B_14 109.5 . . ?
H8A_14 C8_14 H8B_14 109.5 . . ?
N6_14 C8_14 H8C_14 109.5 . . ?
H8A_14 C8_14 H8C_14 109.5 . . ?
H8B_14 C8_14 H8C_14 109.5 . . ?
N6_16 Pd1_16 N51_3 95.9(8) . . ?
N6_16 Pd1_16 N3_16 85.9(8) . . ?
N51_3 Pd1_16 N3_16 178.1(9) . . ?
N6_16 Pd1_16 N19_3 178.7(10) . . ?
N51_3 Pd1_16 N19_3 84.5(9) . . ?
N3_16 Pd1_16 N19_3 93.6(8) . . ?
N3_16 C1_16 H1A_16 109.5 . . ?
N3_16 C1_16 H1B_16 109.5 . . ?
H1A_16 C1_16 H1B_16 109.5 . . ?
N3_16 C1_16 H1C_16 109.5 . . ?
H1A_16 C1_16 H1C_16 109.5 . . ?
H1B_16 C1_16 H1C_16 109.5 . . ?
N3_16 C2_16 H2A_16 109.5 . . ?
N3_16 C2_16 H2B_16 109.5 . . ?
H2A_16 C2_16 H2B_16 109.5 . . ?
N3_16 C2_16 H2C_16 109.5 . . ?
H2A_16 C2_16 H2C_16 109.5 . . ?
H2B_16 C2_16 H2C_16 109.5 . . ?
C4_16 N3_16 C2_16 119(3) . . ?
C4_16 N3_16 C1_16 115(3) . . ?
C2_16 N3_16 C1_16 106(3) . . ?
C4_16 N3_16 Pd1_16 103(2) . . ?
C2_16 N3_16 Pd1_16 107(2) . . ?
C1_16 N3_16 Pd1_16 106.7(19) . . ?
C5_16 C4_16 N3_16 110(3) . . ?
C5_16 C4_16 H4A_16 109.6 . . ?
N3_16 C4_16 H4A_16 109.6 . . ?
C5_16 C4_16 H4B_16 109.6 . . ?
N3_16 C4_16 H4B_16 109.6 . . ?
H4A_16 C4_16 H4B_16 108.1 . . ?
C4_16 C5_16 N6_16 111(3) . . ?
C4_16 C5_16 H5A_16 109.4 . . ?
N6_16 C5_16 H5A_16 109.4 . . ?
C4_16 C5_16 H5B_16 109.4 . . ?
N6_16 C5_16 H5B_16 109.4 . . ?
H5A_16 C5_16 H5B_16 108.0 . . ?
C8_16 N6_16 C7_16 109(3) . . ?
C8_16 N6_16 C5_16 112(3) . . ?
C7_16 N6_16 C5_16 109(3) . . ?
C8_16 N6_16 Pd1_16 109(2) . . ?
C7_16 N6_16 Pd1_16 108.5(19) . . ?
C5_16 N6_16 Pd1_16 108.9(18) . . ?
N6_16 C7_16 H7A_16 109.5 . . ?
N6_16 C7_16 H7B_16 109.5 . . ?
H7A_16 C7_16 H7B_16 109.5 . . ?
N6_16 C7_16 H7C_16 109.5 . . ?
H7A_16 C7_16 H7C_16 109.5 . . ?
H7B_16 C7_16 H7C_16 109.5 . . ?
N6_16 C8_16 H8A_16 109.5 . . ?
N6_16 C8_16 H8B_16 109.5 . . ?
H8A_16 C8_16 H8B_16 109.5 . . ?
N6_16 C8_16 H8C_16 109.5 . . ?
H8A_16 C8_16 H8C_16 109.5 . . ?
H8B_16 C8_16 H8C_16 109.5 . . ?
N13_7 Pd1_17 N45_6 88.2(16) . . ?
N13_7 Pd1_17 N6_17 178.2(14) . . ?
N45_6 Pd1_17 N6_17 93.4(15) . . ?
N13_7 Pd1_17 N3_17 91.2(15) . . ?
N45_6 Pd1_17 N3_17 179.4(17) . . ?
N6_17 Pd1_17 N3_17 87.2(13) . . ?
N3_17 C1_17 H1A_17 109.5 . . ?
N3_17 C1_17 H1B_17 109.5 . . ?
H1A_17 C1_17 H1B_17 109.5 . . ?
N3_17 C1_17 H1C_17 109.5 . . ?
H1A_17 C1_17 H1C_17 109.5 . . ?
H1B_17 C1_17 H1C_17 109.5 . . ?
N3_17 C2_17 H2A_17 109.5 . . ?
N3_17 C2_17 H2B_17 109.5 . . ?
H2A_17 C2_17 H2B_17 109.5 . . ?
N3_17 C2_17 H2C_17 109.5 . . ?
H2A_17 C2_17 H2C_17 109.5 . . ?
H2B_17 C2_17 H2C_17 109.5 . . ?
C1_17 N3_17 C4_17 113(3) . . ?
C1_17 N3_17 C2_17 110(3) . . ?
C4_17 N3_17 C2_17 114(3) . . ?
C1_17 N3_17 Pd1_17 93(3) . . ?
C4_17 N3_17 Pd1_17 102(2) . . ?
C2_17 N3_17 Pd1_17 124(3) . . ?
C5_17 C4_17 N3_17 106(3) . . ?
C5_17 C4_17 H4A_17 110.4 . . ?
N3_17 C4_17 H4A_17 110.4 . . ?
C5_17 C4_17 H4B_17 110.4 . . ?
N3_17 C4_17 H4B_17 110.4 . . ?
H4A_17 C4_17 H4B_17 108.6 . . ?
C4_17 C5_17 N6_17 111(3) . . ?
C4_17 C5_17 H5A_17 109.5 . . ?
N6_17 C5_17 H5A_17 109.5 . . ?
C4_17 C5_17 H5B_17 109.5 . . ?
N6_17 C5_17 H5B_17 109.5 . . ?
H5A_17 C5_17 H5B_17 108.1 . . ?
C8_17 N6_17 C7_17 105(3) . . ?
C8_17 N6_17 C5_17 116(3) . . ?
C7_17 N6_17 C5_17 111(3) . . ?
C8_17 N6_17 Pd1_17 119(3) . . ?
C7_17 N6_17 Pd1_17 109(3) . . ?
C5_17 N6_17 Pd1_17 96(2) . . ?
N6_17 C7_17 H7A_17 109.5 . . ?
N6_17 C7_17 H7B_17 109.5 . . ?
H7A_17 C7_17 H7B_17 109.5 . . ?
N6_17 C7_17 H7C_17 109.5 . . ?
H7A_17 C7_17 H7C_17 109.5 . . ?
H7B_17 C7_17 H7C_17 109.5 . . ?
N6_17 C8_17 H8A_17 109.5 . . ?
N6_17 C8_17 H8B_17 109.5 . . ?
H8A_17 C8_17 H8B_17 109.5 . . ?
N6_17 C8_17 H8C_17 109.5 . . ?
H8A_17 C8_17 H8C_17 109.5 . . ?
H8B_17 C8_17 H8C_17 109.5 . . ?
N13_5 Pd1_18 N45_4 86.5(18) . . ?
N13_5 Pd1_18 N3_18 90.8(15) . . ?
N45_4 Pd1_18 N3_18 174(2) . . ?
N13_5 Pd1_18 N6_18 173.3(17) . . ?
N45_4 Pd1_18 N6_18 98.0(18) . . ?
N3_18 Pd1_18 N6_18 84.2(13) . . ?
N3_18 C1_18 H1A_18 109.5 . . ?
N3_18 C1_18 H1B_18 109.5 . . ?
H1A_18 C1_18 H1B_18 109.5 . . ?
N3_18 C1_18 H1C_18 109.5 . . ?
H1A_18 C1_18 H1C_18 109.5 . . ?
H1B_18 C1_18 H1C_18 109.5 . . ?
N3_18 C2_18 H2A_18 109.5 . . ?
N3_18 C2_18 H2B_18 109.5 . . ?
H2A_18 C2_18 H2B_18 109.5 . . ?
N3_18 C2_18 H2C_18 109.5 . . ?
H2A_18 C2_18 H2C_18 109.5 . . ?
H2B_18 C2_18 H2C_18 109.5 . . ?
C1_18 N3_18 C2_18 108(3) . . ?
C1_18 N3_18 C4_18 113(3) . . ?
C2_18 N3_18 C4_18 111(3) . . ?
C1_18 N3_18 Pd1_18 101(3) . . ?
C2_18 N3_18 Pd1_18 118(3) . . ?
C4_18 N3_18 Pd1_18 106(2) . . ?
C5_18 C4_18 N3_18 108(3) . . ?
C5_18 C4_18 H4A_18 110.0 . . ?
N3_18 C4_18 H4A_18 110.0 . . ?
C5_18 C4_18 H4B_18 110.0 . . ?
N3_18 C4_18 H4B_18 110.0 . . ?
H4A_18 C4_18 H4B_18 108.4 . . ?
C4_18 C5_18 N6_18 109(3) . . ?
C4_18 C5_18 H5A_18 109.8 . . ?
N6_18 C5_18 H5A_18 109.8 . . ?
C4_18 C5_18 H5B_18 109.8 . . ?
N6_18 C5_18 H5B_18 109.8 . . ?
H5A_18 C5_18 H5B_18 108.3 . . ?
C8_18 N6_18 C7_18 109(3) . . ?
C8_18 N6_18 C5_18 114(3) . . ?
C7_18 N6_18 C5_18 113(3) . . ?
C8_18 N6_18 Pd1_18 107(4) . . ?
C7_18 N6_18 Pd1_18 111(4) . . ?
C5_18 N6_18 Pd1_18 103(3) . . ?
N6_18 C7_18 H7A_18 109.5 . . ?
N6_18 C7_18 H7B_18 109.5 . . ?
H7A_18 C7_18 H7B_18 109.5 . . ?
N6_18 C7_18 H7C_18 109.5 . . ?
H7A_18 C7_18 H7C_18 109.5 . . ?
H7B_18 C7_18 H7C_18 109.5 . . ?
N6_18 C8_18 H8A_18 109.5 . . ?
N6_18 C8_18 H8B_18 109.5 . . ?
H8A_18 C8_18 H8B_18 109.5 . . ?
N6_18 C8_18 H8C_18 109.5 . . ?
H8A_18 C8_18 H8C_18 109.5 . . ?
H8B_18 C8_18 H8C_18 109.5 . . ?
N1_2 Pd1_19 N6_19 173(2) . . ?
N1_2 Pd1_19 N51_2 87.0(16) . . ?
N6_19 Pd1_19 N51_2 94.7(16) . . ?
N1_2 Pd1_19 N3_19 88.2(16) . . ?
N6_19 Pd1_19 N3_19 90.6(14) . . ?
N51_2 Pd1_19 N3_19 173.7(17) . . ?
N3_19 C1_19 H1A_19 109.5 . . ?
N3_19 C1_19 H1B_19 109.5 . . ?
H1A_19 C1_19 H1B_19 109.5 . . ?
N3_19 C1_19 H1C_19 109.5 . . ?
H1A_19 C1_19 H1C_19 109.5 . . ?
H1B_19 C1_19 H1C_19 109.5 . . ?
N3_19 C2_19 H2A_19 109.5 . . ?
N3_19 C2_19 H2B_19 109.5 . . ?
H2A_19 C2_19 H2B_19 109.5 . . ?
N3_19 C2_19 H2C_19 109.5 . . ?
H2A_19 C2_19 H2C_19 109.5 . . ?
H2B_19 C2_19 H2C_19 109.5 . . ?
C4_19 N3_19 C1_19 112(3) . . ?
C4_19 N3_19 C2_19 113(3) . . ?
C1_19 N3_19 C2_19 110(3) . . ?
C4_19 N3_19 Pd1_19 105(2) . . ?
C1_19 N3_19 Pd1_19 114(4) . . ?
C2_19 N3_19 Pd1_19 104(3) . . ?
C5_19 C4_19 N3_19 112(3) . . ?
C5_19 C4_19 H4A_19 109.2 . . ?
N3_19 C4_19 H4A_19 109.2 . . ?
C5_19 C4_19 H4B_19 109.2 . . ?
N3_19 C4_19 H4B_19 109.2 . . ?
H4A_19 C4_19 H4B_19 107.9 . . ?
C4_19 C5_19 N6_19 117(3) . . ?
C4_19 C5_19 H5A_19 107.9 . . ?
N6_19 C5_19 H5A_19 107.9 . . ?
C4_19 C5_19 H5B_19 107.9 . . ?
N6_19 C5_19 H5B_19 107.9 . . ?
H5A_19 C5_19 H5B_19 107.2 . . ?
C5_19 N6_19 C7_19 114(3) . . ?
C5_19 N6_19 C8_19 112(3) . . ?
C7_19 N6_19 C8_19 106(3) . . ?
C5_19 N6_19 Pd1_19 101(2) . . ?
C7_19 N6_19 Pd1_19 107(3) . . ?
C8_19 N6_19 Pd1_19 118(4) . . ?
N6_19 C7_19 H7A_19 109.5 . . ?
N6_19 C7_19 H7B_19 109.5 . . ?
H7A_19 C7_19 H7B_19 109.5 . . ?
N6_19 C7_19 H7C_19 109.5 . . ?
H7A_19 C7_19 H7C_19 109.5 . . ?
H7B_19 C7_19 H7C_19 109.5 . . ?
N6_19 C8_19 H8A_19 109.5 . . ?
N6_19 C8_19 H8B_19 109.5 . . ?
H8A_19 C8_19 H8B_19 109.5 . . ?
N6_19 C8_19 H8C_19 109.5 . . ?
H8A_19 C8_19 H8C_19 109.5 . . ?
H8B_19 C8_19 H8C_19 109.5 . . ?
N13_1 Pd1_20 N6_20 178.1(19) . . ?
N13_1 Pd1_20 N3_20 95.3(16) . . ?
N6_20 Pd1_20 N3_20 83.4(18) . . ?
N13_1 Pd1_20 N45_2 85.3(14) . . ?
N6_20 Pd1_20 N45_2 96.2(17) . . ?
N3_20 Pd1_20 N45_2 173(2) . . ?
N3_20 C1_20 H1A_20 109.5 . . ?
N3_20 C1_20 H1B_20 109.5 . . ?
H1A_20 C1_20 H1B_20 109.5 . . ?
N3_20 C1_20 H1C_20 109.5 . . ?
H1A_20 C1_20 H1C_20 109.5 . . ?
H1B_20 C1_20 H1C_20 109.5 . . ?
N3_20 C2_20 H2A_20 109.5 . . ?
N3_20 C2_20 H2B_20 109.5 . . ?
H2A_20 C2_20 H2B_20 109.5 . . ?
N3_20 C2_20 H2C_20 109.5 . . ?
H2A_20 C2_20 H2C_20 109.5 . . ?
H2B_20 C2_20 H2C_20 109.5 . . ?
C2_20 N3_20 C4_20 109(3) . . ?
C2_20 N3_20 C1_20 110(3) . . ?
C4_20 N3_20 C1_20 108(3) . . ?
C2_20 N3_20 Pd1_20 103(4) . . ?
C4_20 N3_20 Pd1_20 116(3) . . ?
C1_20 N3_20 Pd1_20 111(4) . . ?
N3_20 C4_20 C5_20 108(5) . . ?
N3_20 C4_20 H4A_20 110.0 . . ?
C5_20 C4_20 H4A_20 110.0 . . ?
N3_20 C4_20 H4B_20 110.0 . . ?
C5_20 C4_20 H4B_20 110.0 . . ?
H4A_20 C4_20 H4B_20 108.4 . . ?
N6_20 C5_20 C4_20 111(5) . . ?
N6_20 C5_20 H5A_20 109.3 . . ?
C4_20 C5_20 H5A_20 109.3 . . ?
N6_20 C5_20 H5B_20 109.3 . . ?
C4_20 C5_20 H5B_20 109.3 . . ?
H5A_20 C5_20 H5B_20 108.0 . . ?
C5_20 N6_20 C8_20 104(3) . . ?
C5_20 N6_20 C7_20 102(3) . . ?
C8_20 N6_20 C7_20 102(3) . . ?
C5_20 N6_20 Pd1_20 113(3) . . ?
C8_20 N6_20 Pd1_20 125(4) . . ?
C7_20 N6_20 Pd1_20 108(4) . . ?
N6_20 C7_20 H7A_20 109.5 . . ?
N6_20 C7_20 H7B_20 109.5 . . ?
H7A_20 C7_20 H7B_20 109.5 . . ?
N6_20 C7_20 H7C_20 109.5 . . ?
H7A_20 C7_20 H7C_20 109.5 . . ?
H7B_20 C7_20 H7C_20 109.5 . . ?
N6_20 C8_20 H8A_20 109.5 . . ?
N6_20 C8_20 H8B_20 109.5 . . ?
H8A_20 C8_20 H8B_20 109.5 . . ?
N6_20 C8_20 H8C_20 109.5 . . ?
H8A_20 C8_20 H8C_20 109.5 . . ?
H8B_20 C8_20 H8C_20 109.5 . . ?

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
O125 O28 Mo3 O92 -87.7(19) . . . . ?
Mo34 O28 Mo3 O92 129.2(16) . . . . ?
Mo34 O28 Mo3 O125 -143(2) . . . . ?
O125 O28 Mo3 O98 42(2) . . . . ?
Mo34 O28 Mo3 O98 -101(2) . . . . ?
O125 O28 Mo3 O95 160.9(17) . . . . ?
Mo34 O28 Mo3 O95 18(2) . . . . ?
O125 O28 Mo3 O96 102.9(16) . . . . ?
Mo34 O28 Mo3 O96 -40.1(13) . . . . ?
Mo44 O1 Mo9 O54 162.3(19) . . . . ?
Mo44 O1 Mo9 O58 -41(4) . . . . ?
Mo44 O1 Mo9 O60 -98.0(19) . . . . ?
Mo44 O1 Mo9 O50 63(2) . . . . ?
Mo44 O1 Mo9 O59 -7.6(16) . . . . ?
O6 Mo4 O4 Mo7 -166(2) . . . . ?
O128 Mo4 O4 Mo7 12(6) . . . . ?
O24 Mo4 O4 Mo7 -70(2) . . . . ?
O34 Mo4 O4 Mo7 90(2) . . . . ?
O27 Mo4 O4 Mo7 4(2) . . . . ?
O20 Mo45 O10 Mo22 -168(3) . . . . ?
O19 Mo45 O10 Mo22 93(3) . . . . ?
O33 Mo45 O10 Mo22 -69(3) . . . . ?
O21 Mo45 O10 Mo22 10(6) . . . . ?
O8 Mo45 O10 Mo22 4(2) . . . . ?
O15 Mo22 O10 Mo45 172(3) . . . . ?
O17 Mo22 O10 Mo45 -18(6) . . . . ?
O26 Mo22 O10 Mo45 -91(3) . . . . ?
O80 Mo22 O10 Mo45 69(3) . . . . ?
O8 Mo22 O10 Mo45 -4(2) . . . . ?
O15 Mo22 O17 Mo25 136(4) . . . . ?
O10 Mo22 O17 Mo25 -35(7) . . . . ?
O26 Mo22 O17 Mo25 37(4) . . . . ?
O80 Mo22 O17 Mo25 -121(4) . . . . ?
O8 Mo22 O17 Mo25 -48(4) . . . . ?
O2 Mo42 O21 Mo45 128(4) . . . . ?
O3 Mo42 O21 Mo45 -135(4) . . . . ?
O30 Mo42 O21 Mo45 26(4) . . . . ?
O35 Mo42 O21 Mo45 -54(7) . . . . ?
O12 Mo42 O21 Mo45 -58(4) . . . . ?
O14 Mo25 O24 Mo4 -174(3) . . . . ?
O39 Mo25 O24 Mo4 86(2) . . . . ?
O17 Mo25 O24 Mo4 11(7) . . . . ?
O13 Mo25 O24 Mo4 -73(2) . . . . ?
O27 Mo25 O24 Mo4 4(2) . . . . ?
O18 Mo8 O30 Mo42 126(4) . . . . ?
O36 Mo8 O30 Mo42 -136(4) . . . . ?
O123 Mo8 O30 Mo42 -55(7) . . . . ?
O19 Mo8 O30 Mo42 25(4) . . . . ?
O9 Mo8 O30 Mo42 -62(4) . . . . ?
O29 Mo31 O32 Mo29 -130(4) . . . . ?
O128 Mo31 O32 Mo29 -27(4) . . . . ?
O37 Mo31 O32 Mo29 68(7) . . . . ?
O36 Mo31 O32 Mo29 134(4) . . . . ?
O9 Mo31 O32 Mo29 58(4) . . . . ?
O31 Mo29 O34 Mo4 -143(4) . . . . ?
O35 Mo29 O34 Mo4 64(9) . . . . ?
O122 Mo29 O34 Mo4 126(3) . . . . ?
O32 Mo29 O34 Mo4 -34(3) . . . . ?
O12 Mo29 O34 Mo4 51(3) . . . . ?
O43 Mo18 O40 Mo16 -165(2) . . . . ?
O48 Mo18 O40 Mo16 94(2) . . . . ?
O74 Mo18 O40 Mo16 -68(2) . . . . ?
O41 Mo18 O40 Mo16 26(6) . . . . ?
O55 Mo18 O40 Mo16 4.1(19) . . . . ?
O42 Mo36 O41 Mo18 140(4) . . . . ?
O46 Mo36 O41 Mo18 37(4) . . . . ?
O50 Mo36 O41 Mo18 -31(9) . . . . ?
O69 Mo36 O41 Mo18 -122(4) . . . . ?
O59 Mo36 O41 Mo18 -48(4) . . . . ?
O44 Mo16 O49 Mo14 -126(4) . . . . ?
O45 Mo16 O49 Mo14 56(7) . . . . ?
O121 Mo16 O49 Mo14 -27(4) . . . . ?
O40 Mo16 O49 Mo14 127(5) . . . . ?
O55 Mo16 O49 Mo14 58(4) . . . . ?
O57 Mo23 O51 Mo41 170(2) . . . . ?
O65 Mo23 O51 Mo41 -5(6) . . . . ?
O58 Mo23 O51 Mo41 -86(2) . . . . ?
O76 Mo23 O51 Mo41 76(2) . . . . ?
O75 Mo23 O51 Mo41 -1.0(18) . . . . ?
O43 Mo18 O48 Mo41 125(4) . . . . ?
O40 Mo18 O48 Mo41 -133(4) . . . . ?
O74 Mo18 O48 Mo41 -64(8) . . . . ?
O41 Mo18 O48 Mo41 27(4) . . . . ?
O55 Mo18 O48 Mo41 -64(4) . . . . ?
O20 Mo45 O19 Mo8 131(4) . . . . ?
O10 Mo45 O19 Mo8 -122(4) . . . . ?
O33 Mo45 O19 Mo8 -39(8) . . . . ?
O21 Mo45 O19 Mo8 34(4) . . . . ?
O8 Mo45 O19 Mo8 -53(4) . . . . ?
O25 Mo7 O22 Mo28 121(4) . . . . ?
O11 Mo7 O22 Mo28 18(4) . . . . ?
O13 Mo7 O22 Mo28 -142(4) . . . . ?
O4 Mo7 O22 Mo28 -64(6) . . . . ?
O27 Mo7 O22 Mo28 -67(4) . . . . ?
O16 Mo39 O26 Mo22 134(4) . . . . ?
O123 Mo39 O26 Mo22 -127(4) . . . . ?
O37 Mo39 O26 Mo22 -51(8) . . . . ?
O39 Mo39 O26 Mo22 28(4) . . . . ?
O9 Mo39 O26 Mo22 -54(4) . . . . ?
O34 Mo29 O35 Mo42 -14(8) . . . . ?
O31 Mo29 O35 Mo42 -166(2) . . . . ?
O122 Mo29 O35 Mo42 -77(2) . . . . ?
O32 Mo29 O35 Mo42 84(2) . . . . ?
O12 Mo29 O35 Mo42 -0.6(19) . . . . ?
O14 Mo25 O39 Mo39 121(4) . . . . ?
O24 Mo25 O39 Mo39 -141(4) . . . . ?
O17 Mo25 O39 Mo39 21(4) . . . . ?
O13 Mo25 O39 Mo39 -71(6) . . . . ?
O27 Mo25 O39 Mo39 -66(4) . . . . ?
O71 Mo38 O45 Mo16 178(2) . . . . ?
O200 Mo38 O45 Mo16 -81(3) . . . . ?
O120 Mo38 O45 Mo16 8(6) . . . . ?
O74 Mo38 O45 Mo16 79(2) . . . . ?
O55 Mo38 O45 Mo16 5(2) . . . . ?
O42 Mo36 O46 Mo41 -137(5) . . . . ?
O41 Mo36 O46 Mo41 -39(5) . . . . ?
O50 Mo36 O46 Mo41 124(5) . . . . ?
O69 Mo36 O46 Mo41 38(8) . . . . ?
O59 Mo36 O46 Mo41 48(5) . . . . ?
O62 Mo41 O47 Mo14 167(2) . . . . ?
O48 Mo41 O47 Mo14 -83(2) . . . . ?
O46 Mo41 O47 Mo14 -10(7) . . . . ?
O51 Mo41 O47 Mo14 76(2) . . . . ?
O75 Mo41 O47 Mo14 3(2) . . . . ?
O127 Mo40 O60 Mo9 136(4) . . . . ?
O66 Mo40 O60 Mo9 -128(5) . . . . ?
O65 Mo40 O60 Mo9 32(4) . . . . ?
O61 Mo40 O60 Mo9 -40(8) . . . . ?
O56 Mo40 O60 Mo9 -52(4) . . . . ?
O67 Mo21 O61 Mo40 -174(2) . . . . ?
O72 Mo21 O61 Mo40 -71(2) . . . . ?
O121 Mo21 O61 Mo40 17(6) . . . . ?
O64 Mo21 O61 Mo40 90(2) . . . . ?
O56 Mo21 O61 Mo40 1.7(18) . . . . ?
O57 Mo23 O65 Mo40 128(5) . . . . ?
O51 Mo23 O65 Mo40 -57(8) . . . . ?
O58 Mo23 O65 Mo40 25(5) . . . . ?
O76 Mo23 O65 Mo40 -137(5) . . . . ?
O75 Mo23 O65 Mo40 -61(5) . . . . ?
O127 Mo40 O66 Mo27 -169(2) . . . . ?
O60 Mo40 O66 Mo27 88(2) . . . . ?
O65 Mo40 O66 Mo27 10(6) . . . . ?
O61 Mo40 O66 Mo27 -71(2) . . . . ?
O56 Mo40 O66 Mo27 1(2) . . . . ?
O68 Mo27 O70 Mo44 -136(4) . . . . ?
O200 Mo27 O70 Mo44 -29(4) . . . . ?
O72 Mo27 O70 Mo44 46(6) . . . . ?
O66 Mo27 O70 Mo44 127(4) . . . . ?
O56 Mo27 O70 Mo44 56(3) . . . . ?
O67 Mo21 O72 Mo27 168(2) . . . . ?
O61 Mo21 O72 Mo27 69(2) . . . . ?
O121 Mo21 O72 Mo27 -88(2) . . . . ?
O64 Mo21 O72 Mo27 -29(7) . . . . ?
O56 Mo21 O72 Mo27 -3(2) . . . . ?
Mo40 O56 Si77 O75 58(3) . . . . ?
Mo21 O56 Si77 O75 -65(3) . . . . ?
Mo27 O56 Si77 O75 180(2) . . . . ?
Mo40 O56 Si77 O59 -59(3) . . . . ?
Mo21 O56 Si77 O59 178.6(19) . . . . ?
Mo27 O56 Si77 O59 63(3) . . . . ?
Mo40 O56 Si77 O55 178.4(19) . . . . ?
Mo21 O56 Si77 O55 56(3) . . . . ?
Mo27 O56 Si77 O55 -59(3) . . . . ?
Mo23 O75 Si77 O56 -55(3) . . . . ?
Mo41 O75 Si77 O56 177(2) . . . . ?
Mo14 O75 Si77 O56 62(3) . . . . ?
Mo23 O75 Si77 O59 66(3) . . . . ?
Mo41 O75 Si77 O59 -62(3) . . . . ?
Mo14 O75 Si77 O59 -176.9(19) . . . . ?
Mo23 O75 Si77 O55 -175(2) . . . . ?
Mo41 O75 Si77 O55 57(3) . . . . ?
Mo14 O75 Si77 O55 -58(3) . . . . ?
Mo36 O59 Si77 O56 179(2) . . . . ?
Mo44 O59 Si77 O56 -57(3) . . . . ?
Mo9 O59 Si77 O56 55(3) . . . . ?
Mo36 O59 Si77 O75 59(3) . . . . ?
Mo44 O59 Si77 O75 -176(2) . . . . ?
Mo9 O59 Si77 O75 -65(2) . . . . ?
Mo36 O59 Si77 O55 -59(3) . . . . ?
Mo44 O59 Si77 O55 66(3) . . . . ?
Mo9 O59 Si77 O55 177.1(18) . . . . ?
Mo16 O55 Si77 O56 -60(3) . . . . ?
Mo38 O55 Si77 O56 64(3) . . . . ?
Mo18 O55 Si77 O56 178.2(18) . . . . ?
Mo16 O55 Si77 O75 61(3) . . . . ?
Mo38 O55 Si77 O75 -175.5(19) . . . . ?
Mo18 O55 Si77 O75 -61(2) . . . . ?
Mo16 O55 Si77 O59 177(2) . . . . ?
Mo38 O55 Si77 O59 -60(3) . . . . ?
Mo18 O55 Si77 O59 54(2) . . . . ?
Mo4 O27 Si78 O9 58(3) . . . . ?
Mo25 O27 Si78 O9 -69(3) . . . . ?
Mo7 O27 Si78 O9 179(2) . . . . ?
Mo4 O27 Si78 O12 -54(3) . . . . ?
Mo25 O27 Si78 O12 179(2) . . . . ?
Mo7 O27 Si78 O12 67(3) . . . . ?
Mo4 O27 Si78 O8 -180(2) . . . . ?
Mo25 O27 Si78 O8 53(3) . . . . ?
Mo7 O27 Si78 O8 -59(3) . . . . ?
Mo31 O9 Si78 O27 -50(3) . . . . ?
Mo8 O9 Si78 O27 179(2) . . . . ?
Mo39 O9 Si78 O27 67(3) . . . . ?
Mo31 O9 Si78 O12 64(3) . . . . ?
Mo8 O9 Si78 O12 -67(3) . . . . ?
Mo39 O9 Si78 O12 -179(2) . . . . ?
Mo31 O9 Si78 O8 -174(2) . . . . ?
Mo8 O9 Si78 O8 55(3) . . . . ?
Mo39 O9 Si78 O8 -56(3) . . . . ?
Mo29 O12 Si78 O27 59(3) . . . . ?
Mo35 O12 Si78 O27 -67(3) . . . . ?
Mo42 O12 Si78 O27 179(2) . . . . ?
Mo29 O12 Si78 O9 -55(3) . . . . ?
Mo35 O12 Si78 O9 178(2) . . . . ?
Mo42 O12 Si78 O9 65(3) . . . . ?
Mo29 O12 Si78 O8 -176(2) . . . . ?
Mo35 O12 Si78 O8 58(3) . . . . ?
Mo42 O12 Si78 O8 -56(3) . . . . ?
Mo22 O8 Si78 O27 -56(3) . . . . ?
Mo45 O8 Si78 O27 179(2) . . . . ?
Mo28 O8 Si78 O27 65(3) . . . . ?
Mo22 O8 Si78 O9 64(3) . . . . ?
Mo45 O8 Si78 O9 -60(3) . . . . ?
Mo28 O8 Si78 O9 -174(2) . . . . ?
Mo22 O8 Si78 O12 -179(2) . . . . ?
Mo45 O8 Si78 O12 57(3) . . . . ?
Mo28 O8 Si78 O12 -57(3) . . . . ?
O23 Mo28 O80 Mo22 165(2) . . . . ?
O33 Mo28 O80 Mo22 71(2) . . . . ?
O5 Mo28 O80 Mo22 -9(6) . . . . ?
O22 Mo28 O80 Mo22 -85(2) . . . . ?
O8 Mo28 O80 Mo22 -2.0(19) . . . . ?
O96 Si10 O83 Mo33 -59(3) . . . . ?
O107 Si10 O83 Mo33 55(3) . . . . ?
O108 Si10 O83 Mo33 177(2) . . . . ?
O96 Si10 O83 Mo32 66(3) . . . . ?
O107 Si10 O83 Mo32 -179.8(18) . . . . ?
O108 Si10 O83 Mo32 -58(3) . . . . ?
O96 Si10 O83 Mo6 179.2(18) . . . . ?
O107 Si10 O83 Mo6 -67(2) . . . . ?
O108 Si10 O83 Mo6 55(3) . . . . ?
O38 Mo32 O84 Mo6 -170(2) . . . . ?
O100 Mo32 O84 Mo6 14(5) . . . . ?
O93 Mo32 O84 Mo6 -71(2) . . . . ?
O101 Mo32 O84 Mo6 86(2) . . . . ?
O83 Mo32 O84 Mo6 -0.2(19) . . . . ?
O91 Mo34 O86 Mo17 -124(4) . . . . ?
O119 Mo34 O86 Mo17 136(4) . . . . ?
O100 Mo34 O86 Mo17 -24(4) . . . . ?
O28 Mo34 O86 Mo17 20(5) . . . . ?
O96 Mo34 O86 Mo17 63(4) . . . . ?
O88 Mo12 O87 Mo6 -132(4) . . . . ?
O114 Mo12 O87 Mo6 127(4) . . . . ?
O112 Mo12 O87 Mo6 -35(4) . . . . ?
O251 Mo12 O87 Mo6 47(7) . . . . ?
O107 Mo12 O87 Mo6 52(4) . . . . ?
O107 Si10 O96 Mo30 62(3) . . . . ?
O83 Si10 O96 Mo30 178(2) . . . . ?
O108 Si10 O96 Mo30 -56(3) . . . . ?
O107 Si10 O96 Mo3 -65(3) . . . . ?
O83 Si10 O96 Mo3 51(3) . . . . ?
O108 Si10 O96 Mo3 177.4(19) . . . . ?
O107 Si10 O96 Mo34 -176.8(18) . . . . ?
O83 Si10 O96 Mo34 -61(2) . . . . ?
O108 Si10 O96 Mo34 65(2) . . . . ?
O115 Mo24 O98 Mo3 -137(5) . . . . ?
O118 Mo24 O98 Mo3 -34(5) . . . . ?
O116 Mo24 O98 Mo3 123(5) . . . . ?
O114 Mo24 O98 Mo3 29(8) . . . . ?
O107 Mo24 O98 Mo3 48(5) . . . . ?
O111 Mo30 O99 Mo37 -123(4) . . . . ?
O106 Mo30 O99 Mo37 -32(4) . . . . ?
O95 Mo30 O99 Mo37 134(4) . . . . ?
O119 Mo30 O99 Mo37 44(7) . . . . ?
O96 Mo30 O99 Mo37 56(4) . . . . ?
O38 Mo32 O100 Mo34 -129(4) . . . . ?
O84 Mo32 O100 Mo34 46(7) . . . . ?
O93 Mo32 O100 Mo34 132(4) . . . . ?
O101 Mo32 O100 Mo34 -25(4) . . . . ?
O83 Mo32 O100 Mo34 61(4) . . . . ?
O81 Mo17 O101 Mo32 -128(4) . . . . ?
O85 Mo17 O101 Mo32 50(7) . . . . ?
O82 Mo17 O101 Mo32 134(4) . . . . ?
O86 Mo17 O101 Mo32 -26(4) . . . . ?
O108 Mo17 O101 Mo32 59(4) . . . . ?
O89 Mo6 O102 Mo13 -120(4) . . . . ?
O126 Mo6 O102 Mo13 48(7) . . . . ?
O84 Mo6 O102 Mo13 133(4) . . . . ?
O87 Mo6 O102 Mo13 -27(4) . . . . ?
O83 Mo6 O102 Mo13 60(4) . . . . ?
O90 Mo13 O105 Mo10 167(2) . . . . ?
O112 Mo13 O105 Mo10 -90(2) . . . . ?
O82 Mo13 O105 Mo10 70(2) . . . . ?
O102 Mo13 O105 Mo10 -17(5) . . . . ?
O108 Mo13 O105 Mo10 -4.1(19) . . . . ?
O111 Mo30 O106 Mo10 154(5) . . . . ?
O99 Mo30 O106 Mo10 46(4) . . . . ?
O95 Mo30 O106 Mo10 -25(10) . . . . ?
O119 Mo30 O106 Mo10 -115(4) . . . . ?
O96 Mo30 O106 Mo10 -39(4) . . . . ?
O96 Si10 O107 Mo24 60(3) . . . . ?
O83 Si10 O107 Mo24 -58(3) . . . . ?
O108 Si10 O107 Mo24 178(2) . . . . ?
O96 Si10 O107 Mo37 -64(2) . . . . ?
O83 Si10 O107 Mo37 177.5(18) . . . . ?
O108 Si10 O107 Mo37 53(3) . . . . ?
O96 Si10 O107 Mo12 -177.4(18) . . . . ?
O83 Si10 O107 Mo12 64(2) . . . . ?
O108 Si10 O107 Mo12 -60(3) . . . . ?
O96 Si10 O108 Mo10 54(3) . . . . ?
O107 Si10 O108 Mo10 -61(3) . . . . ?
O83 Si10 O108 Mo10 178.8(19) . . . . ?
O96 Si10 O108 Mo17 -68(2) . . . . ?
O107 Si10 O108 Mo17 177.8(19) . . . . ?
O83 Si10 O108 Mo17 57(3) . . . . ?
O96 Si10 O108 Mo13 176.4(19) . . . . ?
O107 Si10 O108 Mo13 62(3) . . . . ?
O83 Si10 O108 Mo13 -59(3) . . . . ?
O90 Mo13 O112 Mo12 -129(4) . . . . ?
O105 Mo13 O112 Mo12 126(4) . . . . ?
O82 Mo13 O112 Mo12 44(8) . . . . ?
O102 Mo13 O112 Mo12 -29(4) . . . . ?
O108 Mo13 O112 Mo12 55(4) . . . . ?
O117 Mo10 O113 Mo37 122(4) . . . . ?
O105 Mo10 O113 Mo37 -139(4) . . . . ?
O85 Mo10 O113 Mo37 -69(7) . . . . ?
O106 Mo10 O113 Mo37 23(4) . . . . ?
O108 Mo10 O113 Mo37 -66(4) . . . . ?
O88 Mo12 O114 Mo24 165(2) . . . . ?
O87 Mo12 O114 Mo24 -86(2) . . . . ?
O112 Mo12 O114 Mo24 1(7) . . . . ?
O251 Mo12 O114 Mo24 76(2) . . . . ?
O107 Mo12 O114 Mo24 0.0(17) . . . . ?
O115 Mo24 O118 Mo33 124(4) . . . . ?
O98 Mo24 O118 Mo33 22(4) . . . . ?
O116 Mo24 O118 Mo33 -68(6) . . . . ?
O114 Mo24 O118 Mo33 -139(4) . . . . ?
O107 Mo24 O118 Mo33 -64(4) . . . . ?
O71 Mo38 O120 Mo44 126(4) . . . . ?
O200 Mo38 O120 Mo44 25(4) . . . . ?
O45 Mo38 O120 Mo44 -64(6) . . . . ?
O74 Mo38 O120 Mo44 -135(4) . . . . ?
O55 Mo38 O120 Mo44 -61(4) . . . . ?
O67 Mo21 O121 Mo16 -127(5) . . . . ?
O72 Mo21 O121 Mo16 131(6) . . . . ?
O61 Mo21 O121 Mo16 42(8) . . . . ?
O64 Mo21 O121 Mo16 -33(5) . . . . ?
O56 Mo21 O121 Mo16 56(5) . . . . ?
O16 Mo39 O123 Mo8 179(3) . . . . ?
O26 Mo39 O123 Mo8 86(3) . . . . ?
O37 Mo39 O123 Mo8 -74(3) . . . . ?
O39 Mo39 O123 Mo8 -6(6) . . . . ?
O9 Mo39 O123 Mo8 -1(2) . . . . ?
Mo34 O28 O125 Mo3 95(4) . . . . ?
Mo3 O28 O125 Mo33 -140(3) . . . . ?
Mo34 O28 O125 Mo33 -45(5) . . . . ?
O29 Mo31 O128 Mo4 132(5) . . . . ?
O32 Mo31 O128 Mo4 32(5) . . . . ?
O37 Mo31 O128 Mo4 -125(5) . . . . ?
O36 Mo31 O128 Mo4 -42(9) . . . . ?
O9 Mo31 O128 Mo4 -49(5) . . . . ?
O71 Mo38 O200 Mo27 -124(4) . . . . ?
O45 Mo38 O200 Mo27 135(4) . . . . ?
O120 Mo38 O200 Mo27 -24(4) . . . . ?
O74 Mo38 O200 Mo27 59(8) . . . . ?
O55 Mo38 O200 Mo27 65(4) . . . . ?
C6_1 N1_1 C2_1 C3_1 0.0 . . . . ?
Pd1_14 N1_1 C2_1 C3_1 172(2) . . . . ?
N1_1 C2_1 C3_1 C4_1 0.0 . . . . ?
C2_1 C3_1 C4_1 C5_1 0.0 . . . . ?
C2_1 C3_1 C4_1 C9_1 -158(3) . . . . ?
C3_1 C4_1 C5_1 C6_1 0.0 . . . . ?
C9_1 C4_1 C5_1 C6_1 158(3) . . . . ?
C4_1 C5_1 C6_1 N1_1 0.0 . . . . ?
C2_1 N1_1 C6_1 C5_1 0.0 . . . . ?
Pd1_14 N1_1 C6_1 C5_1 -172(2) . . . . ?
C18_1 N13_1 C14_1 C15_1 0.0 . . . . ?
Pd1_20 N13_1 C14_1 C15_1 177(2) . . . . ?
N13_1 C14_1 C15_1 C16_1 0.0 . . . . ?
C14_1 C15_1 C16_1 C17_1 0.0 . . . . ?
C14_1 C15_1 C16_1 C7_1 179(4) . . . . ?
C15_1 C16_1 C17_1 C18_1 0.0 . . . . ?
C7_1 C16_1 C17_1 C18_1 -179(4) . . . . ?
C16_1 C17_1 C18_1 N13_1 0.0 . . . . ?
C14_1 N13_1 C18_1 C17_1 0.0 . . . . ?
Pd1_20 N13_1 C18_1 C17_1 -177(2) . . . . ?
C17_1 C16_1 C7_1 N8_1 14(4) . . . . ?
C15_1 C16_1 C7_1 N8_1 -165(2) . . . . ?
C17_1 C16_1 C7_1 N12_1 -171(2) . . . . ?
C15_1 C16_1 C7_1 N12_1 10(4) . . . . ?
N12_1 C7_1 N8_1 C9_1 0.0 . . . . ?
C16_1 C7_1 N8_1 C9_1 175(3) . . . . ?
C7_1 N8_1 C9_1 N10_1 0.0 . . . . ?
C7_1 N8_1 C9_1 C4_1 -163(3) . . . . ?
C5_1 C4_1 C9_1 N10_1 -18(4) . . . . ?
C3_1 C4_1 C9_1 N10_1 141(2) . . . . ?
C5_1 C4_1 C9_1 N8_1 145(2) . . . . ?
C3_1 C4_1 C9_1 N8_1 -57(3) . . . . ?
N8_1 C9_1 N10_1 C11_1 0.0 . . . . ?
C4_1 C9_1 N10_1 C11_1 161(3) . . . . ?
C9_1 N10_1 C11_1 C22_1 172(4) . . . . ?
C9_1 N10_1 C11_1 N12_1 0.0 . . . . ?
C22_1 C11_1 N12_1 C7_1 -173(4) . . . . ?
N10_1 C11_1 N12_1 C7_1 0.0 . . . . ?
N8_1 C7_1 N12_1 C11_1 0.0 . . . . ?
C16_1 C7_1 N12_1 C11_1 -174(4) . . . . ?
C24_1 N19_1 C20_1 C21_1 0.0 . . . . ?
C25_1 N19_1 C20_1 C21_1 -177(3) . . . . ?
N19_1 C20_1 C21_1 C22_1 0.0 . . . . ?
N12_1 C11_1 C22_1 C21_1 -18(4) . . . . ?
N10_1 C11_1 C22_1 C21_1 170(2) . . . . ?
N12_1 C11_1 C22_1 C23_1 157(2) . . . . ?
N10_1 C11_1 C22_1 C23_1 -15(4) . . . . ?
C20_1 C21_1 C22_1 C11_1 175(4) . . . . ?
C20_1 C21_1 C22_1 C23_1 0.0 . . . . ?
C11_1 C22_1 C23_1 C24_1 -176(4) . . . . ?
C21_1 C22_1 C23_1 C24_1 0.0 . . . . ?
C22_1 C23_1 C24_1 N19_1 0.0 . . . . ?
C20_1 N19_1 C24_1 C23_1 0.0 . . . . ?
C25_1 N19_1 C24_1 C23_1 176(4) . . . . ?
C20_1 N19_1 C25_1 C26_1 160(2) . . . . ?
C24_1 N19_1 C25_1 C26_1 -17(4) . . . . ?
N19_1 C25_1 C26_1 C27_1 101(3) . . . . ?
N19_1 C25_1 C26_1 C31_1 -82(4) . . . . ?
C31_1 C26_1 C27_1 C28_1 0.0 . . . . ?
C25_1 C26_1 C27_1 C28_1 177(4) . . . . ?
C26_1 C27_1 C28_1 C29_1 0.0 . . . . ?
C27_1 C28_1 C29_1 C30_1 0.0 . . . . ?
C27_1 C28_1 C29_1 C32_1 165(4) . . . . ?
C28_1 C29_1 C30_1 C31_1 0.0 . . . . ?
C32_1 C29_1 C30_1 C31_1 -163(4) . . . . ?
C29_1 C30_1 C31_1 C26_1 0.0 . . . . ?
C27_1 C26_1 C31_1 C30_1 0.0 . . . . ?
C25_1 C26_1 C31_1 C30_1 -177(4) . . . . ?
C30_1 C29_1 C32_1 N33_1 50(5) . . . . ?
C28_1 C29_1 C32_1 N33_1 -114(4) . . . . ?
C29_1 C32_1 N33_1 C34_1 64(4) . . . . ?
C29_1 C32_1 N33_1 C38_1 -123(3) . . . . ?
C38_1 N33_1 C34_1 C35_1 0.0 . . . . ?
C32_1 N33_1 C34_1 C35_1 173(4) . . . . ?
N33_1 C34_1 C35_1 C36_1 0.0 . . . . ?
C34_1 C35_1 C36_1 C39_1 169(4) . . . . ?
C34_1 C35_1 C36_1 C37_1 0.0 . . . . ?
C39_1 C36_1 C37_1 C38_1 -169(4) . . . . ?
C35_1 C36_1 C37_1 C38_1 0.0 . . . . ?
C36_1 C37_1 C38_1 N33_1 0.0 . . . . ?
C34_1 N33_1 C38_1 C37_1 0.0 . . . . ?
C32_1 N33_1 C38_1 C37_1 -173(4) . . . . ?
C37_1 C36_1 C39_1 N40_1 176.3(19) . . . . ?
C35_1 C36_1 C39_1 N40_1 7(4) . . . . ?
C37_1 C36_1 C39_1 N44_1 -13(4) . . . . ?
C35_1 C36_1 C39_1 N44_1 178(2) . . . . ?
C36_1 C39_1 N40_1 C41_1 171(3) . . . . ?
N44_1 C39_1 N40_1 C41_1 0.0 . . . . ?
C39_1 N40_1 C41_1 N42_1 0.0 . . . . ?
C39_1 N40_1 C41_1 C48_1 -170(4) . . . . ?
N40_1 C41_1 N42_1 C43_1 0.0 . . . . ?
C48_1 C41_1 N42_1 C43_1 170(4) . . . . ?
C41_1 N42_1 C43_1 C54_1 -176(4) . . . . ?
C41_1 N42_1 C43_1 N44_1 0.0 . . . . ?
C54_1 C43_1 N44_1 C39_1 176(4) . . . . ?
N42_1 C43_1 N44_1 C39_1 0.0 . . . . ?
C36_1 C39_1 N44_1 C43_1 -170(4) . . . . ?
N40_1 C39_1 N44_1 C43_1 0.0 . . . . ?
C50_1 N45_1 C46_1 C47_1 0.0 . . . . ?
Pd1_14 N45_1 C46_1 C47_1 -166(3) . . . . ?
N45_1 C46_1 C47_1 C48_1 0.0 . . . . ?
C46_1 C47_1 C48_1 C49_1 0.0 . . . . ?
C46_1 C47_1 C48_1 C41_1 180(4) . . . . ?
N40_1 C41_1 C48_1 C47_1 -168(2) . . . . ?
N42_1 C41_1 C48_1 C47_1 23(4) . . . . ?
N40_1 C41_1 C48_1 C49_1 12(4) . . . . ?
N42_1 C41_1 C48_1 C49_1 -158(2) . . . . ?
C47_1 C48_1 C49_1 C50_1 0.0 . . . . ?
C41_1 C48_1 C49_1 C50_1 -180(4) . . . . ?
C48_1 C49_1 C50_1 N45_1 0.0 . . . . ?
C46_1 N45_1 C50_1 C49_1 0.0 . . . . ?
Pd1_14 N45_1 C50_1 C49_1 168(3) . . . . ?
C56_1 N51_1 C52_1 C53_1 0.0 . . . . ?
Pd1_10 N51_1 C52_1 C53_1 -168(3) . . . . ?
N51_1 C52_1 C53_1 C54_1 0.0 . . . . ?
N44_1 C43_1 C54_1 C55_1 170(2) . . . . ?
N42_1 C43_1 C54_1 C55_1 -14(4) . . . . ?
N44_1 C43_1 C54_1 C53_1 -11(4) . . . . ?
N42_1 C43_1 C54_1 C53_1 164(2) . . . . ?
C52_1 C53_1 C54_1 C43_1 -179(4) . . . . ?
C52_1 C53_1 C54_1 C55_1 0.0 . . . . ?
C43_1 C54_1 C55_1 C56_1 179(4) . . . . ?
C53_1 C54_1 C55_1 C56_1 0.0 . . . . ?
C54_1 C55_1 C56_1 N51_1 0.0 . . . . ?
C52_1 N51_1 C56_1 C55_1 0.0 . . . . ?
Pd1_10 N51_1 C56_1 C55_1 168(3) . . . . ?
C6_2 N1_2 C2_2 C3_2 0.0 . . . . ?
Pd1_19 N1_2 C2_2 C3_2 -157(3) . . . . ?
N1_2 C2_2 C3_2 C4_2 0.0 . . . . ?
C2_2 C3_2 C4_2 C5_2 0.0 . . . . ?
C2_2 C3_2 C4_2 C7_2 -160(4) . . . . ?
C3_2 C4_2 C5_2 C6_2 0.0 . . . . ?
C7_2 C4_2 C5_2 C6_2 159(4) . . . . ?
C4_2 C5_2 C6_2 N1_2 0.0 . . . . ?
C2_2 N1_2 C6_2 C5_2 0.0 . . . . ?
Pd1_19 N1_2 C6_2 C5_2 157(3) . . . . ?
C5_2 C4_2 C7_2 N8_2 143(2) . . . . ?
C3_2 C4_2 C7_2 N8_2 -57(3) . . . . ?
C5_2 C4_2 C7_2 N12_2 -16(4) . . . . ?
C3_2 C4_2 C7_2 N12_2 144(2) . . . . ?
N12_2 C7_2 N8_2 C9_2 0.0 . . . . ?
C4_2 C7_2 N8_2 C9_2 -161(3) . . . . ?
C7_2 N8_2 C9_2 C22_2 -163(4) . . . . ?
C7_2 N8_2 C9_2 N10_2 0.0 . . . . ?
C22_2 C9_2 N10_2 C11_2 166(3) . . . . ?
N8_2 C9_2 N10_2 C11_2 0.0 . . . . ?
C9_2 N10_2 C11_2 C16_2 174(3) . . . . ?
C9_2 N10_2 C11_2 N12_2 0.0 . . . . ?
C16_2 C11_2 N12_2 C7_2 -175(3) . . . . ?
N10_2 C11_2 N12_2 C7_2 0.0 . . . . ?
N8_2 C7_2 N12_2 C11_2 0.0 . . . . ?
C4_2 C7_2 N12_2 C11_2 156(4) . . . . ?
C18_2 N13_2 C14_2 C15_2 0.0 . . . . ?
Pd1_10 N13_2 C14_2 C15_2 174(2) . . . . ?
N13_2 C14_2 C15_2 C16_2 0.0 . . . . ?
N12_2 C11_2 C16_2 C15_2 -8(3) . . . . ?
N10_2 C11_2 C16_2 C15_2 177.3(19) . . . . ?
N12_2 C11_2 C16_2 C17_2 -173(2) . . . . ?
N10_2 C11_2 C16_2 C17_2 13(3) . . . . ?
C14_2 C15_2 C16_2 C11_2 -165(3) . . . . ?
C14_2 C15_2 C16_2 C17_2 0.0 . . . . ?
C11_2 C16_2 C17_2 C18_2 164(3) . . . . ?
C15_2 C16_2 C17_2 C18_2 0.0 . . . . ?
C16_2 C17_2 C18_2 N13_2 0.0 . . . . ?
C14_2 N13_2 C18_2 C17_2 0.0 . . . . ?
Pd1_10 N13_2 C18_2 C17_2 -174(2) . . . . ?
C24_2 N19_2 C20_2 C21_2 0.0 . . . . ?
C25_2 N19_2 C20_2 C21_2 167(4) . . . . ?
N19_2 C20_2 C21_2 C22_2 0.0 . . . . ?
N10_2 C9_2 C22_2 C21_2 -172(2) . . . . ?
N8_2 C9_2 C22_2 C21_2 -7(5) . . . . ?
N10_2 C9_2 C22_2 C23_2 19(4) . . . . ?
N8_2 C9_2 C22_2 C23_2 -177(2) . . . . ?
C20_2 C21_2 C22_2 C9_2 -170(4) . . . . ?
C20_2 C21_2 C22_2 C23_2 0.0 . . . . ?
C9_2 C22_2 C23_2 C24_2 169(4) . . . . ?
C21_2 C22_2 C23_2 C24_2 0.0 . . . . ?
C22_2 C23_2 C24_2 N19_2 0.0 . . . . ?
C20_2 N19_2 C24_2 C23_2 0.0 . . . . ?
C25_2 N19_2 C24_2 C23_2 -168(4) . . . . ?
C20_2 N19_2 C25_2 C26_2 -49(4) . . . . ?
C24_2 N19_2 C25_2 C26_2 118(3) . . . . ?
N19_2 C25_2 C26_2 C27_2 107(3) . . . . ?
N19_2 C25_2 C26_2 C31_2 -65(4) . . . . ?
C31_2 C26_2 C27_2 C28_2 0.0 . . . . ?
C25_2 C26_2 C27_2 C28_2 -172(4) . . . . ?
C26_2 C27_2 C28_2 C29_2 0.0 . . . . ?
C27_2 C28_2 C29_2 C30_2 0.0 . . . . ?
C27_2 C28_2 C29_2 C32_2 176(4) . . . . ?
C28_2 C29_2 C30_2 C31_2 0.0 . . . . ?
C32_2 C29_2 C30_2 C31_2 -176(4) . . . . ?
C29_2 C30_2 C31_2 C26_2 0.0 . . . . ?
C27_2 C26_2 C31_2 C30_2 0.0 . . . . ?
C25_2 C26_2 C31_2 C30_2 173(4) . . . . ?
C30_2 C29_2 C32_2 N33_2 60(5) . . . . ?
C28_2 C29_2 C32_2 N33_2 -115(4) . . . . ?
C29_2 C32_2 N33_2 C34_2 -124(4) . . . . ?
C29_2 C32_2 N33_2 C38_2 51(6) . . . . ?
C38_2 N33_2 C34_2 C35_2 0.0 . . . . ?
C32_2 N33_2 C34_2 C35_2 175(4) . . . . ?
N33_2 C34_2 C35_2 C36_2 0.0 . . . . ?
C34_2 C35_2 C36_2 C37_2 0.0 . . . . ?
C34_2 C35_2 C36_2 C39_2 -175(4) . . . . ?
C35_2 C36_2 C37_2 C38_2 0.0 . . . . ?
C39_2 C36_2 C37_2 C38_2 174(4) . . . . ?
C36_2 C37_2 C38_2 N33_2 0.0 . . . . ?
C34_2 N33_2 C38_2 C37_2 0.0 . . . . ?
C32_2 N33_2 C38_2 C37_2 -175(5) . . . . ?
C37_2 C36_2 C39_2 N40_2 178(2) . . . . ?
C35_2 C36_2 C39_2 N40_2 -8(4) . . . . ?
C37_2 C36_2 C39_2 N44_2 -2(4) . . . . ?
C35_2 C36_2 C39_2 N44_2 172(2) . . . . ?
N44_2 C39_2 N40_2 C41_2 0.0 . . . . ?
C36_2 C39_2 N40_2 C41_2 -180(4) . . . . ?
C39_2 N40_2 C41_2 C48_2 178(4) . . . . ?
C39_2 N40_2 C41_2 N42_2 0.0 . . . . ?
C48_2 C41_2 N42_2 C43_2 -178(5) . . . . ?
N40_2 C41_2 N42_2 C43_2 0.0 . . . . ?
C41_2 N42_2 C43_2 N44_2 0.0 . . . . ?
C41_2 N42_2 C43_2 C54_2 175(4) . . . . ?
N42_2 C43_2 N44_2 C39_2 0.0 . . . . ?
C54_2 C43_2 N44_2 C39_2 -175(4) . . . . ?
N40_2 C39_2 N44_2 C43_2 0.0 . . . . ?
C36_2 C39_2 N44_2 C43_2 180(4) . . . . ?
C50_2 N45_2 C46_2 C47_2 0.0 . . . . ?
Pd1_20 N45_2 C46_2 C47_2 -173(3) . . . . ?
N45_2 C46_2 C47_2 C48_2 0.0 . . . . ?
N40_2 C41_2 C48_2 C49_2 171(2) . . . . ?
N42_2 C41_2 C48_2 C49_2 -11(5) . . . . ?
N40_2 C41_2 C48_2 C47_2 -14(4) . . . . ?
N42_2 C41_2 C48_2 C47_2 164(3) . . . . ?
C46_2 C47_2 C48_2 C41_2 -174(4) . . . . ?
C46_2 C47_2 C48_2 C49_2 0.0 . . . . ?
C41_2 C48_2 C49_2 C50_2 175(4) . . . . ?
C47_2 C48_2 C49_2 C50_2 0.0 . . . . ?
C48_2 C49_2 C50_2 N45_2 0.0 . . . . ?
C46_2 N45_2 C50_2 C49_2 0.0 . . . . ?
Pd1_20 N45_2 C50_2 C49_2 173(3) . . . . ?
C56_2 N51_2 C52_2 C53_2 0.0 . . . . ?
Pd1_19 N51_2 C52_2 C53_2 165(3) . . . . ?
N51_2 C52_2 C53_2 C54_2 0.0 . . . . ?
C52_2 C53_2 C54_2 C55_2 0.0 . . . . ?
C52_2 C53_2 C54_2 C43_2 174(4) . . . . ?
N42_2 C43_2 C54_2 C55_2 27(4) . . . . ?
N44_2 C43_2 C54_2 C55_2 -158(2) . . . . ?
N42_2 C43_2 C54_2 C53_2 -147(3) . . . . ?
N44_2 C43_2 C54_2 C53_2 28(4) . . . . ?
C53_2 C54_2 C55_2 C56_2 0.0 . . . . ?
C43_2 C54_2 C55_2 C56_2 -174(4) . . . . ?
C54_2 C55_2 C56_2 N51_2 0.0 . . . . ?
C52_2 N51_2 C56_2 C55_2 0.0 . . . . ?
Pd1_19 N51_2 C56_2 C55_2 -164(3) . . . . ?
C6_3 N1_3 C2_3 C3_3 0.0 . . . . ?
Pd1_13 N1_3 C2_3 C3_3 -164(2) . . . . ?
N1_3 C2_3 C3_3 C4_3 0.0 . . . . ?
C2_3 C3_3 C4_3 C5_3 0.0 . . . . ?
C2_3 C3_3 C4_3 C7_3 175(4) . . . . ?
C3_3 C4_3 C5_3 C6_3 0.0 . . . . ?
C7_3 C4_3 C5_3 C6_3 -176(3) . . . . ?
C4_3 C5_3 C6_3 N1_3 0.0 . . . . ?
C2_3 N1_3 C6_3 C5_3 0.0 . . . . ?
Pd1_13 N1_3 C6_3 C5_3 165(2) . . . . ?
C18_3 N13_3 C14_3 C15_3 0.0 . . . . ?
C25_3 N13_3 C14_3 C15_3 -175(4) . . . . ?
N13_3 C14_3 C15_3 C16_3 0.0 . . . . ?
C14_3 C15_3 C16_3 C17_3 0.0 . . . . ?
C14_3 C15_3 C16_3 C11_3 -176(4) . . . . ?
C15_3 C16_3 C17_3 C18_3 0.0 . . . . ?
C11_3 C16_3 C17_3 C18_3 177(3) . . . . ?
C16_3 C17_3 C18_3 N13_3 0.0 . . . . ?
C14_3 N13_3 C18_3 C17_3 0.0 . . . . ?
C25_3 N13_3 C18_3 C17_3 175(4) . . . . ?
C24_3 N19_3 C20_3 C21_3 0.0 . . . . ?
Pd1_16 N19_3 C20_3 C21_3 -178(2) . . . . ?
N19_3 C20_3 C21_3 C22_3 0.0 . . . . ?
C20_3 C21_3 C22_3 C23_3 0.0 . . . . ?
C20_3 C21_3 C22_3 C9_3 -177(3) . . . . ?
C21_3 C22_3 C23_3 C24_3 0.0 . . . . ?
C9_3 C22_3 C23_3 C24_3 177(4) . . . . ?
C22_3 C23_3 C24_3 N19_3 0.0 . . . . ?
C20_3 N19_3 C24_3 C23_3 0.0 . . . . ?
Pd1_16 N19_3 C24_3 C23_3 178(2) . . . . ?
C5_3 C4_3 C7_3 N8_3 -164.5(19) . . . . ?
C3_3 C4_3 C7_3 N8_3 20(4) . . . . ?
C5_3 C4_3 C7_3 N12_3 -1(4) . . . . ?
C3_3 C4_3 C7_3 N12_3 -176(2) . . . . ?
N12_3 C7_3 N8_3 C9_3 0.0 . . . . ?
C4_3 C7_3 N8_3 C9_3 164(3) . . . . ?
C7_3 N8_3 C9_3 N10_3 0.0 . . . . ?
C7_3 N8_3 C9_3 C22_3 169(3) . . . . ?
C23_3 C22_3 C9_3 N8_3 -6(4) . . . . ?
C21_3 C22_3 C9_3 N8_3 171.2(18) . . . . ?
C23_3 C22_3 C9_3 N10_3 163(2) . . . . ?
C21_3 C22_3 C9_3 N10_3 -20(3) . . . . ?
N8_3 C9_3 N10_3 C11_3 0.0 . . . . ?
C22_3 C9_3 N10_3 C11_3 -169(3) . . . . ?
C9_3 N10_3 C11_3 N12_3 0.0 . . . . ?
C9_3 N10_3 C11_3 C16_3 -178(3) . . . . ?
C17_3 C16_3 C11_3 N12_3 173.5(17) . . . . ?
C15_3 C16_3 C11_3 N12_3 -10(4) . . . . ?
C17_3 C16_3 C11_3 N10_3 -9(3) . . . . ?
C15_3 C16_3 C11_3 N10_3 168(2) . . . . ?
N10_3 C11_3 N12_3 C7_3 0.0 . . . . ?
C16_3 C11_3 N12_3 C7_3 178(3) . . . . ?
N8_3 C7_3 N12_3 C11_3 0.0 . . . . ?
C4_3 C7_3 N12_3 C11_3 -163(3) . . . . ?
C31_3 C26_3 C27_3 C28_3 0.0 . . . . ?
C25_3 C26_3 C27_3 C28_3 -172(4) . . . . ?
C26_3 C27_3 C28_3 C29_3 0.0 . . . . ?
C27_3 C28_3 C29_3 C30_3 0.0 . . . . ?
C27_3 C28_3 C29_3 C32_5 165(4) . . . . ?
C28_3 C29_3 C30_3 C31_3 0.0 . . . . ?
C32_5 C29_3 C30_3 C31_3 -166(4) . . . . ?
C29_3 C30_3 C31_3 C26_3 0.0 . . . . ?
C27_3 C26_3 C31_3 C30_3 0.0 . . . . ?
C25_3 C26_3 C31_3 C30_3 172(4) . . . . ?
C38_3 N33_3 C34_3 C35_3 0.0 . . . . ?
C32_5 N33_3 C34_3 C35_3 179(4) . . . . ?
N33_3 C34_3 C35_3 C36_3 0.0 . . . . ?
C34_3 C35_3 C36_3 C37_3 0.0 . . . . ?
C34_3 C35_3 C36_3 C39_3 178(4) . . . . ?
C35_3 C36_3 C37_3 C38_3 0.0 . . . . ?
C39_3 C36_3 C37_3 C38_3 -178(4) . . . . ?
C36_3 C37_3 C38_3 N33_3 0.0 . . . . ?
C34_3 N33_3 C38_3 C37_3 0.0 . . . . ?
C32_5 N33_3 C38_3 C37_3 -179(4) . . . . ?
C35_3 C36_3 C39_3 N40_3 -167(2) . . . . ?
C37_3 C36_3 C39_3 N40_3 11(4) . . . . ?
C35_3 C36_3 C39_3 N44_3 18(4) . . . . ?
C37_3 C36_3 C39_3 N44_3 -164(2) . . . . ?
N44_3 C39_3 N40_3 C41_3 0.0 . . . . ?
C36_3 C39_3 N40_3 C41_3 -174(4) . . . . ?
C39_3 N40_3 C41_3 N42_3 0.0 . . . . ?
C39_3 N40_3 C41_3 C54_3 176(4) . . . . ?
N40_3 C41_3 N42_3 C43_3 0.0 . . . . ?
C54_3 C41_3 N42_3 C43_3 -175(4) . . . . ?
C41_3 N42_3 C43_3 C48_6 -179(4) . . . . ?
C41_3 N42_3 C43_3 N44_3 0.0 . . . . ?
C48_6 C43_3 N44_3 C39_3 179(4) . . . . ?
N42_3 C43_3 N44_3 C39_3 0.0 . . . . ?
N40_3 C39_3 N44_3 C43_3 0.0 . . . . ?
C36_3 C39_3 N44_3 C43_3 175(4) . . . . ?
C56_3 N51_3 C52_3 C53_3 0.0 . . . . ?
Pd1_16 N51_3 C52_3 C53_3 152(2) . . . . ?
N51_3 C52_3 C53_3 C54_3 0.0 . . . . ?
C52_3 C53_3 C54_3 C55_3 0.0 . . . . ?
C52_3 C53_3 C54_3 C41_3 165(4) . . . . ?
N40_3 C41_3 C54_3 C53_3 39(3) . . . . ?
N42_3 C41_3 C54_3 C53_3 -145(3) . . . . ?
N40_3 C41_3 C54_3 C55_3 -155(2) . . . . ?
N42_3 C41_3 C54_3 C55_3 21(5) . . . . ?
C53_3 C54_3 C55_3 C56_3 0.0 . . . . ?
C41_3 C54_3 C55_3 C56_3 -166(3) . . . . ?
C54_3 C55_3 C56_3 N51_3 0.0 . . . . ?
C52_3 N51_3 C56_3 C55_3 0.0 . . . . ?
Pd1_16 N51_3 C56_3 C55_3 -154.0(19) . . . . ?
C27_3 C26_3 C25_3 N13_3 106(4) . . . . ?
C31_3 C26_3 C25_3 N13_3 -66(5) . . . . ?
C14_3 N13_3 C25_3 C26_3 131(4) . . . . ?
C18_3 N13_3 C25_3 C26_3 -44(5) . . . . ?
C6_4 N1_4 C2_4 C3_4 0.0 . . . . ?
Pd1_9 N1_4 C2_4 C3_4 -166(2) . . . . ?
N1_4 C2_4 C3_4 C4_4 0.0 . . . . ?
C2_4 C3_4 C4_4 N8_4 -157(3) . . . . ?
C2_4 C3_4 C4_4 C5_4 0.0 . . . . ?
N8_4 C4_4 C5_4 C6_4 155(3) . . . . ?
C3_4 C4_4 C5_4 C6_4 0.0 . . . . ?
C4_4 C5_4 C6_4 N1_4 0.0 . . . . ?
C2_4 N1_4 C6_4 C5_4 0.0 . . . . ?
Pd1_9 N1_4 C6_4 C5_4 166(2) . . . . ?
C3_4 C4_4 N8_4 C7_4 167(2) . . . . ?
C5_4 C4_4 N8_4 C7_4 10(4) . . . . ?
C3_4 C4_4 N8_4 C9_4 -40(3) . . . . ?
C5_4 C4_4 N8_4 C9_4 164(2) . . . . ?
N12_4 C7_4 N8_4 C4_4 151(2) . . . . ?
N12_4 C7_4 N8_4 C9_4 0.0 . . . . ?
C4_4 N8_4 C9_4 N10_4 -154(3) . . . . ?
C7_4 N8_4 C9_4 N10_4 0.0 . . . . ?
N8_4 C9_4 N10_4 C11_4 0.0 . . . . ?
N8_4 C9_4 N10_4 C22_4 -161(3) . . . . ?
C9_4 N10_4 C11_4 N12_4 0.0 . . . . ?
C22_4 N10_4 C11_4 N12_4 161(3) . . . . ?
N10_4 C11_4 N12_4 C7_4 0.0 . . . . ?
N10_4 C11_4 N12_4 C16_4 -166(4) . . . . ?
N8_4 C7_4 N12_4 C11_4 0.0 . . . . ?
N8_4 C7_4 N12_4 C16_4 167(3) . . . . ?
C18_4 N13_4 C14_4 C15_4 0.0 . . . . ?
Pd1_11 N13_4 C14_4 C15_4 -168(3) . . . . ?
N13_4 C14_4 C15_4 C16_4 0.0 . . . . ?
C14_4 C15_4 C16_4 C17_4 0.0 . . . . ?
C14_4 C15_4 C16_4 N12_4 173(4) . . . . ?
C11_4 N12_4 C16_4 C17_4 6(4) . . . . ?
C7_4 N12_4 C16_4 C17_4 -160(2) . . . . ?
C11_4 N12_4 C16_4 C15_4 -167(2) . . . . ?
C7_4 N12_4 C16_4 C15_4 26(4) . . . . ?
C15_4 C16_4 C17_4 C18_4 0.0 . . . . ?
N12_4 C16_4 C17_4 C18_4 -173(4) . . . . ?
C16_4 C17_4 C18_4 N13_4 0.0 . . . . ?
C14_4 N13_4 C18_4 C17_4 0.0 . . . . ?
Pd1_11 N13_4 C18_4 C17_4 169(3) . . . . ?
C24_4 N19_4 C20_4 C21_4 2(8) . . . . ?
C25_4 N19_4 C20_4 C21_4 172(5) . . . . ?
N19_4 C20_4 C21_4 C22_4 -2(8) . . . . ?
C20_4 C21_4 C22_4 C23_4 6(9) . . . . ?
C20_4 C21_4 C22_4 N10_4 -175(4) . . . . ?
C11_4 N10_4 C22_4 C21_4 175(4) . . . . ?
C9_4 N10_4 C22_4 C21_4 -24(6) . . . . ?
C11_4 N10_4 C22_4 C23_4 -6(6) . . . . ?
C9_4 N10_4 C22_4 C23_4 155(4) . . . . ?
C21_4 C22_4 C23_4 C24_4 -9(9) . . . . ?
N10_4 C22_4 C23_4 C24_4 172(5) . . . . ?
C22_4 C23_4 C24_4 N19_4 8(8) . . . . ?
C20_4 N19_4 C24_4 C23_4 -5(8) . . . . ?
C25_4 N19_4 C24_4 C23_4 -175(5) . . . . ?
C24_4 N19_4 C25_4 C26_4 136(5) . . . . ?
C20_4 N19_4 C25_4 C26_4 -34(7) . . . . ?
N19_4 C25_4 C26_4 C31_4 -71(6) . . . . ?
N19_4 C25_4 C26_4 C27_4 103(6) . . . . ?
C31_4 C26_4 C27_4 C28_4 0(8) . . . . ?
C25_4 C26_4 C27_4 C28_4 -174(6) . . . . ?
C26_4 C27_4 C28_4 C29_4 5(9) . . . . ?
C27_4 C28_4 C29_4 C30_4 -8(8) . . . . ?
C27_4 C28_4 C29_4 C32_4 169(5) . . . . ?
C28_4 C29_4 C30_4 C31_4 8(8) . . . . ?
C32_4 C29_4 C30_4 C31_4 -168(5) . . . . ?
C27_4 C26_4 C31_4 C30_4 1(8) . . . . ?
C25_4 C26_4 C31_4 C30_4 175(5) . . . . ?
C29_4 C30_4 C31_4 C26_4 -4(8) . . . . ?
C28_4 C29_4 C32_4 N33_4 -114(6) . . . . ?
C30_4 C29_4 C32_4 N33_4 63(6) . . . . ?
C29_4 C32_4 N33_4 C38_4 50(6) . . . . ?
C29_4 C32_4 N33_4 C34_4 -137(5) . . . . ?
C38_4 N33_4 C34_4 C35_4 10(8) . . . . ?
C32_4 N33_4 C34_4 C35_4 -163(5) . . . . ?
N33_4 C34_4 C35_4 C36_4 -19(9) . . . . ?
C34_4 C35_4 C36_4 C39_4 -174(6) . . . . ?
C34_4 C35_4 C36_4 C37_4 19(9) . . . . ?
C39_4 C36_4 C37_4 C38_4 -178(5) . . . . ?
C35_4 C36_4 C37_4 C38_4 -11(8) . . . . ?
C36_4 C37_4 C38_4 N33_4 3(8) . . . . ?
C34_4 N33_4 C38_4 C37_4 -3(7) . . . . ?
C32_4 N33_4 C38_4 C37_4 172(5) . . . . ?
C35_4 C36_4 C39_4 N40_4 21(7) . . . . ?
C37_4 C36_4 C39_4 N40_4 -172(4) . . . . ?
C35_4 C36_4 C39_4 N44_4 -165(5) . . . . ?
C37_4 C36_4 C39_4 N44_4 2(7) . . . . ?
C36_4 C39_4 N40_4 C41_4 174(4) . . . . ?
N44_4 C39_4 N40_4 C41_4 0.0 . . . . ?
C39_4 N40_4 C41_4 N42_4 0.0 . . . . ?
C39_4 N40_4 C41_4 C48_4 172(5) . . . . ?
N40_4 C41_4 N42_4 C43_4 0.0 . . . . ?
C48_4 C41_4 N42_4 C43_4 -172(5) . . . . ?
C41_4 N42_4 C43_4 N44_4 0.0 . . . . ?
C41_4 N42_4 C43_4 C54_4 -170(5) . . . . ?
N42_4 C43_4 N44_4 C39_4 0.0 . . . . ?
C54_4 C43_4 N44_4 C39_4 171(4) . . . . ?
C36_4 C39_4 N44_4 C43_4 -174(5) . . . . ?
N40_4 C39_4 N44_4 C43_4 0.0 . . . . ?
C50_4 N45_4 C46_4 C47_4 -2(9) . . . . ?
Pd1_18 N45_4 C46_4 C47_4 -179(4) . . . . ?
N45_4 C46_4 C47_4 C48_4 2(9) . . . . ?
C46_4 C47_4 C48_4 C41_4 180(5) . . . . ?
C46_4 C47_4 C48_4 C49_4 1(10) . . . . ?
N40_4 C41_4 C48_4 C47_4 -28(8) . . . . ?
N42_4 C41_4 C48_4 C47_4 144(5) . . . . ?
N40_4 C41_4 C48_4 C49_4 151(5) . . . . ?
N42_4 C41_4 C48_4 C49_4 -37(7) . . . . ?
C47_4 C48_4 C49_4 C50_4 -5(11) . . . . ?
C41_4 C48_4 C49_4 C50_4 177(6) . . . . ?
C48_4 C49_4 C50_4 N45_4 4(10) . . . . ?
C46_4 N45_4 C50_4 C49_4 -1(9) . . . . ?
Pd1_18 N45_4 C50_4 C49_4 176(5) . . . . ?
C56_4 N51_4 C52_4 C53_4 -4(9) . . . . ?
Pd1_9 N51_4 C52_4 C53_4 153(4) . . . . ?
N51_4 C52_4 C53_4 C54_4 3(8) . . . . ?
C52_4 C53_4 C54_4 C43_4 163(5) . . . . ?
C52_4 C53_4 C54_4 C55_4 1(10) . . . . ?
N42_4 C43_4 C54_4 C53_4 -145(4) . . . . ?
N44_4 C43_4 C54_4 C53_4 45(6) . . . . ?
N42_4 C43_4 C54_4 C55_4 20(7) . . . . ?
N44_4 C43_4 C54_4 C55_4 -150(4) . . . . ?
C53_4 C54_4 C55_4 C56_4 -6(10) . . . . ?
C43_4 C54_4 C55_4 C56_4 -167(5) . . . . ?
C52_4 N51_4 C56_4 C55_4 0(10) . . . . ?
Pd1_9 N51_4 C56_4 C55_4 -159(4) . . . . ?
C54_4 C55_4 C56_4 N51_4 5(8) . . . . ?
C6_5 N1_5 C2_5 C3_5 0.0 . . . . ?
Pd1_8 N1_5 C2_5 C3_5 171(3) . . . . ?
N1_5 C2_5 C3_5 C4_5 0.0 . . . . ?
C2_5 C3_5 C4_5 C7_5 -179(4) . . . . ?
C2_5 C3_5 C4_5 C5_5 0.0 . . . . ?
C7_5 C4_5 C5_5 C6_5 179(4) . . . . ?
C3_5 C4_5 C5_5 C6_5 0.0 . . . . ?
C4_5 C5_5 C6_5 N1_5 0.0 . . . . ?
C2_5 N1_5 C6_5 C5_5 0.0 . . . . ?
Pd1_8 N1_5 C6_5 C5_5 -171(3) . . . . ?
C5_5 C4_5 C7_5 N8_5 155(2) . . . . ?
C3_5 C4_5 C7_5 N8_5 -26(5) . . . . ?
C5_5 C4_5 C7_5 N12_5 -22(4) . . . . ?
C3_5 C4_5 C7_5 N12_5 157(3) . . . . ?
C4_5 C7_5 N8_5 C9_5 -177(4) . . . . ?
N12_5 C7_5 N8_5 C9_5 0.0 . . . . ?
C7_5 N8_5 C9_5 N10_5 0.0 . . . . ?
C7_5 N8_5 C9_5 C16_5 171(4) . . . . ?
N8_5 C9_5 N10_5 C11_5 0.0 . . . . ?
C16_5 C9_5 N10_5 C11_5 -170(4) . . . . ?
C9_5 N10_5 C11_5 C22_5 -176(4) . . . . ?
C9_5 N10_5 C11_5 N12_5 0.0 . . . . ?
C22_5 C11_5 N12_5 C7_5 176(4) . . . . ?
N10_5 C11_5 N12_5 C7_5 0.0 . . . . ?
C4_5 C7_5 N12_5 C11_5 178(4) . . . . ?
N8_5 C7_5 N12_5 C11_5 0.0 . . . . ?
C18_5 N13_5 C14_5 C15_5 0.0 . . . . ?
Pd1_18 N13_5 C14_5 C15_5 -173(3) . . . . ?
N13_5 C14_5 C15_5 C16_5 0.0 . . . . ?
C14_5 C15_5 C16_5 C17_5 0.0 . . . . ?
C14_5 C15_5 C16_5 C9_5 178(4) . . . . ?
N8_5 C9_5 C16_5 C17_5 -158(2) . . . . ?
N10_5 C9_5 C16_5 C17_5 12(4) . . . . ?
N8_5 C9_5 C16_5 C15_5 24(4) . . . . ?
N10_5 C9_5 C16_5 C15_5 -166(2) . . . . ?
C15_5 C16_5 C17_5 C18_5 0.0 . . . . ?
C9_5 C16_5 C17_5 C18_5 -178(4) . . . . ?
C16_5 C17_5 C18_5 N13_5 0.0 . . . . ?
C14_5 N13_5 C18_5 C17_5 0.0 . . . . ?
Pd1_18 N13_5 C18_5 C17_5 172(3) . . . . ?
C24_5 N19_5 C20_5 C21_5 0.0 . . . . ?
C25_5 N19_5 C20_5 C21_5 -170(5) . . . . ?
N19_5 C20_5 C21_5 C22_5 0.0 . . . . ?
N12_5 C11_5 C22_5 C21_5 178(2) . . . . ?
N10_5 C11_5 C22_5 C21_5 -6(4) . . . . ?
N12_5 C11_5 C22_5 C23_5 1(5) . . . . ?
N10_5 C11_5 C22_5 C23_5 176(2) . . . . ?
C20_5 C21_5 C22_5 C11_5 -177(4) . . . . ?
C20_5 C21_5 C22_5 C23_5 0.0 . . . . ?
C11_5 C22_5 C23_5 C24_5 177(4) . . . . ?
C21_5 C22_5 C23_5 C24_5 0.0 . . . . ?
C22_5 C23_5 C24_5 N19_5 0.0 . . . . ?
C20_5 N19_5 C24_5 C23_5 0.0 . . . . ?
C25_5 N19_5 C24_5 C23_5 170(5) . . . . ?
C20_5 N19_5 C25_5 C26_5 135(4) . . . . ?
C24_5 N19_5 C25_5 C26_5 -35(6) . . . . ?
N19_5 C25_5 C26_5 C27_5 -63(5) . . . . ?
N19_5 C25_5 C26_5 C31_5 110(5) . . . . ?
C31_5 C26_5 C27_5 C28_5 0.0 . . . . ?
C25_5 C26_5 C27_5 C28_5 173(3) . . . . ?
C26_5 C27_5 C28_5 C29_5 0.0 . . . . ?
C27_5 C28_5 C29_5 C30_5 0.0 . . . . ?
C27_5 C28_5 C29_5 C32_6 -174(5) . . . . ?
C28_5 C29_5 C30_5 C31_5 0.0 . . . . ?
C32_6 C29_5 C30_5 C31_5 174(4) . . . . ?
C29_5 C30_5 C31_5 C26_5 0.0 . . . . ?
C27_5 C26_5 C31_5 C30_5 0.0 . . . . ?
C25_5 C26_5 C31_5 C30_5 -172(4) . . . . ?
C30_3 C29_3 C32_5 N33_3 67(6) . . . . ?
C28_3 C29_3 C32_5 N33_3 -99(5) . . . . ?
C34_3 N33_3 C32_5 C29_3 -149(4) . . . . ?
C38_3 N33_3 C32_5 C29_3 31(6) . . . . ?
C38_5 N33_5 C34_5 C35_5 0.0 . . . . ?
C32_6 N33_5 C34_5 C35_5 171(4) . . . . ?
N33_5 C34_5 C35_5 C36_5 0.0 . . . . ?
C34_5 C35_5 C36_5 C39_5 167(4) . . . . ?
C34_5 C35_5 C36_5 C37_5 0.0 . . . . ?
C39_5 C36_5 C37_5 C38_5 -167(4) . . . . ?
C35_5 C36_5 C37_5 C38_5 0.0 . . . . ?
C36_5 C37_5 C38_5 N33_5 0.0 . . . . ?
C34_5 N33_5 C38_5 C37_5 0.0 . . . . ?
C32_6 N33_5 C38_5 C37_5 -172(4) . . . . ?
C37_5 C36_5 C39_5 N40_5 -12(5) . . . . ?
C35_5 C36_5 C39_5 N40_5 -179(2) . . . . ?
C37_5 C36_5 C39_5 N44_5 179(2) . . . . ?
C35_5 C36_5 C39_5 N44_5 12(4) . . . . ?
C36_5 C39_5 N40_5 C41_5 -168(4) . . . . ?
N44_5 C39_5 N40_5 C41_5 0.0 . . . . ?
C39_5 N40_5 C41_5 C54_5 174(4) . . . . ?
C39_5 N40_5 C41_5 N42_5 0.0 . . . . ?
C54_5 C41_5 N42_5 C43_5 -174(4) . . . . ?
N40_5 C41_5 N42_5 C43_5 0.0 . . . . ?
C41_5 N42_5 C43_5 N44_5 0.0 . . . . ?
C41_5 N42_5 C43_5 C46_5 -169(3) . . . . ?
N42_5 C43_5 N44_5 C39_5 0.0 . . . . ?
C46_5 C43_5 N44_5 C39_5 166(4) . . . . ?
C36_5 C39_5 N44_5 C43_5 169(4) . . . . ?
N40_5 C39_5 N44_5 C43_5 0.0 . . . . ?
C56_5 N51_5 C52_5 C53_5 0.0 . . . . ?
Pd1_8 N51_5 C52_5 C53_5 -168(3) . . . . ?
N51_5 C52_5 C53_5 C54_5 0.0 . . . . ?
N40_5 C41_5 C54_5 C53_5 -148(3) . . . . ?
N42_5 C41_5 C54_5 C53_5 26(4) . . . . ?
N40_5 C41_5 C54_5 C55_5 25(4) . . . . ?
N42_5 C41_5 C54_5 C55_5 -161(2) . . . . ?
C52_5 C53_5 C54_5 C41_5 172(4) . . . . ?
C52_5 C53_5 C54_5 C55_5 0.0 . . . . ?
C41_5 C54_5 C55_5 C56_5 -173(4) . . . . ?
C53_5 C54_5 C55_5 C56_5 0.0 . . . . ?
C54_5 C55_5 C56_5 N51_5 0.0 . . . . ?
C52_5 N51_5 C56_5 C55_5 0.0 . . . . ?
Pd1_8 N51_5 C56_5 C55_5 169(2) . . . . ?
C48_5 N43_5 C44_5 C45_5 0.0 . . . . ?
Pd1_11 N43_5 C44_5 C45_5 166(3) . . . . ?
N43_5 C44_5 C45_5 C46_5 0.0 . . . . ?
C44_5 C45_5 C46_5 C47_5 0.0 . . . . ?
C44_5 C45_5 C46_5 C43_5 175(3) . . . . ?
N42_5 C43_5 C46_5 C45_5 170(2) . . . . ?
N44_5 C43_5 C46_5 C45_5 3(4) . . . . ?
N42_5 C43_5 C46_5 C47_5 -16(4) . . . . ?
N44_5 C43_5 C46_5 C47_5 177(3) . . . . ?
C45_5 C46_5 C47_5 C48_5 0.0 . . . . ?
C43_5 C46_5 C47_5 C48_5 -173(4) . . . . ?
C46_5 C47_5 C48_5 N43_5 0.0 . . . . ?
C44_5 N43_5 C48_5 C47_5 0.0 . . . . ?
Pd1_11 N43_5 C48_5 C47_5 -167(3) . . . . ?
C50_6 N45_6 C46_6 C47_6 0.0 . . . . ?
Pd1_17 N45_6 C46_6 C47_6 165(3) . . . . ?
N45_6 C46_6 C47_6 C48_6 0.0 . . . . ?
N44_3 C43_3 C48_6 C47_6 157(2) . . . . ?
N42_3 C43_3 C48_6 C47_6 -24(4) . . . . ?
N44_3 C43_3 C48_6 C49_6 -33(4) . . . . ?
N42_3 C43_3 C48_6 C49_6 146(3) . . . . ?
C46_6 C47_6 C48_6 C43_3 170(4) . . . . ?
C46_6 C47_6 C48_6 C49_6 0.0 . . . . ?
C43_3 C48_6 C49_6 C50_6 -169(4) . . . . ?
C47_6 C48_6 C49_6 C50_6 0.0 . . . . ?
C46_6 N45_6 C50_6 C49_6 0.0 . . . . ?
Pd1_17 N45_6 C50_6 C49_6 -166(3) . . . . ?
C48_6 C49_6 C50_6 N45_6 0.0 . . . . ?
C30_5 C29_5 C32_6 N33_5 -119(4) . . . . ?
C28_5 C29_5 C32_6 N33_5 55(6) . . . . ?
C34_5 N33_5 C32_6 C29_5 -119(5) . . . . ?
C38_5 N33_5 C32_6 C29_5 52(6) . . . . ?
C6_7 N1_7 C2_7 C3_7 0.0 . . . . ?
Pd1_12 N1_7 C2_7 C3_7 -174(2) . . . . ?
N1_7 C2_7 C3_7 C4_7 0.0 . . . . ?
C2_7 C3_7 C4_7 N8_7 169(4) . . . . ?
C2_7 C3_7 C4_7 C5_7 0.0 . . . . ?
N8_7 C4_7 C5_7 C6_7 -170(4) . . . . ?
C3_7 C4_7 C5_7 C6_7 0.0 . . . . ?
C4_7 C5_7 C6_7 N1_7 0.0 . . . . ?
C2_7 N1_7 C6_7 C5_7 0.0 . . . . ?
Pd1_12 N1_7 C6_7 C5_7 174(2) . . . . ?
C3_7 C4_7 N8_7 C9_7 -13(4) . . . . ?
C5_7 C4_7 N8_7 C9_7 157(2) . . . . ?
C3_7 C4_7 N8_7 C7_7 158(2) . . . . ?
C5_7 C4_7 N8_7 C7_7 -32(4) . . . . ?
N12_7 C7_7 N8_7 C4_7 -171(4) . . . . ?
N12_7 C7_7 N8_7 C9_7 0.0 . . . . ?
C4_7 N8_7 C9_7 N10_7 171(3) . . . . ?
C7_7 N8_7 C9_7 N10_7 0.0 . . . . ?
N8_7 C9_7 N10_7 C11_7 0.0 . . . . ?
N8_7 C9_7 N10_7 C22_7 -178(4) . . . . ?
C9_7 N10_7 C11_7 N12_7 0.0 . . . . ?
C22_7 N10_7 C11_7 N12_7 178(3) . . . . ?
N10_7 C11_7 N12_7 C7_7 0.0 . . . . ?
N10_7 C11_7 N12_7 C16_7 -166(4) . . . . ?
N8_7 C7_7 N12_7 C11_7 0.0 . . . . ?
N8_7 C7_7 N12_7 C16_7 166(4) . . . . ?
C18_7 N13_7 C14_7 C15_7 0.0 . . . . ?
Pd1_17 N13_7 C14_7 C15_7 178(3) . . . . ?
N13_7 C14_7 C15_7 C16_7 0.0 . . . . ?
C14_7 C15_7 C16_7 C17_7 0.0 . . . . ?
C14_7 C15_7 C16_7 N12_7 167(4) . . . . ?
C11_7 N12_7 C16_7 C17_7 6(4) . . . . ?
C7_7 N12_7 C16_7 C17_7 -160(2) . . . . ?
C11_7 N12_7 C16_7 C15_7 -162(2) . . . . ?
C7_7 N12_7 C16_7 C15_7 32(4) . . . . ?
C15_7 C16_7 C17_7 C18_7 0.0 . . . . ?
N12_7 C16_7 C17_7 C18_7 -168(4) . . . . ?
C16_7 C17_7 C18_7 N13_7 0.0 . . . . ?
C14_7 N13_7 C18_7 C17_7 0.0 . . . . ?
Pd1_17 N13_7 C18_7 C17_7 -178(3) . . . . ?
C24_7 N19_7 C20_7 C21_7 0.0 . . . . ?
C25_7 N19_7 C20_7 C21_7 176(4) . . . . ?
N19_7 C20_7 C21_7 C22_7 0.0 . . . . ?
C20_7 C21_7 C22_7 C23_7 0.0 . . . . ?
C20_7 C21_7 C22_7 N10_7 -176(3) . . . . ?
C11_7 N10_7 C22_7 C23_7 14(4) . . . . ?
C9_7 N10_7 C22_7 C23_7 -168(2) . . . . ?
C11_7 N10_7 C22_7 C21_7 -170.1(19) . . . . ?
C9_7 N10_7 C22_7 C21_7 8(4) . . . . ?
C21_7 C22_7 C23_7 C24_7 0.0 . . . . ?
N10_7 C22_7 C23_7 C24_7 176(4) . . . . ?
C22_7 C23_7 C24_7 N19_7 0.0 . . . . ?
C20_7 N19_7 C24_7 C23_7 0.0 . . . . ?
C25_7 N19_7 C24_7 C23_7 -176(4) . . . . ?
C20_7 N19_7 C25_7 C26_7 -59(5) . . . . ?
C24_7 N19_7 C25_7 C26_7 117(4) . . . . ?
N19_7 C25_7 C26_7 C27_7 114(4) . . . . ?
N19_7 C25_7 C26_7 C31_7 -50(5) . . . . ?
C31_7 C26_7 C27_7 C28_7 0.0 . . . . ?
C25_7 C26_7 C27_7 C28_7 -163(4) . . . . ?
C26_7 C27_7 C28_7 C29_7 0.0 . . . . ?
C27_7 C28_7 C29_7 C32_7 -177(4) . . . . ?
C27_7 C28_7 C29_7 C30_7 0.0 . . . . ?
C32_7 C29_7 C30_7 C31_7 176(4) . . . . ?
C28_7 C29_7 C30_7 C31_7 0.0 . . . . ?
C29_7 C30_7 C31_7 C26_7 0.0 . . . . ?
C27_7 C26_7 C31_7 C30_7 0.0 . . . . ?
C25_7 C26_7 C31_7 C30_7 165(3) . . . . ?
C28_7 C29_7 C32_7 N33_7 -130(4) . . . . ?
C30_7 C29_7 C32_7 N33_7 54(6) . . . . ?
C29_7 C32_7 N33_7 C34_7 -115(4) . . . . ?
C29_7 C32_7 N33_7 C38_7 56(5) . . . . ?
C32_7 N33_7 C34_7 C35_7 170(5) . . . . ?
C38_7 N33_7 C34_7 C35_7 0.0 . . . . ?
N33_7 C34_7 C35_7 C36_7 0.0 . . . . ?
C34_7 C35_7 C36_7 C37_7 0.0 . . . . ?
C34_7 C35_7 C36_7 C39_7 172(4) . . . . ?
C35_7 C36_7 C37_7 C38_7 0.0 . . . . ?
C39_7 C36_7 C37_7 C38_7 -171(4) . . . . ?
C36_7 C37_7 C38_7 N33_7 0.0 . . . . ?
C32_7 N33_7 C38_7 C37_7 -172(4) . . . . ?
C34_7 N33_7 C38_7 C37_7 0.0 . . . . ?
C35_7 C36_7 C39_7 N40_7 6(4) . . . . ?
C37_7 C36_7 C39_7 N40_7 177(2) . . . . ?
C35_7 C36_7 C39_7 N44_7 178(2) . . . . ?
C37_7 C36_7 C39_7 N44_7 -11(4) . . . . ?
N44_7 C39_7 N40_7 C41_7 0.0 . . . . ?
C36_7 C39_7 N40_7 C41_7 172(4) . . . . ?
C39_7 N40_7 C41_7 C48_7 169(4) . . . . ?
C39_7 N40_7 C41_7 N42_7 0.0 . . . . ?
C48_7 C41_7 N42_7 C43_7 -169(4) . . . . ?
N40_7 C41_7 N42_7 C43_7 0.0 . . . . ?
C41_7 N42_7 C43_7 N44_7 0.0 . . . . ?
C41_7 N42_7 C43_7 C54_7 178(3) . . . . ?
N42_7 C43_7 N44_7 C39_7 0.0 . . . . ?
C54_7 C43_7 N44_7 C39_7 -178(4) . . . . ?
N40_7 C39_7 N44_7 C43_7 0.0 . . . . ?
C36_7 C39_7 N44_7 C43_7 -172(4) . . . . ?
C50_7 N45_7 C46_7 C47_7 0.0 . . . . ?
Pd1_13 N45_7 C46_7 C47_7 174(2) . . . . ?
N45_7 C46_7 C47_7 C48_7 0.0 . . . . ?
N40_7 C41_7 C48_7 C47_7 1(4) . . . . ?
N42_7 C41_7 C48_7 C47_7 170(2) . . . . ?
N40_7 C41_7 C48_7 C49_7 180(2) . . . . ?
N42_7 C41_7 C48_7 C49_7 -11(4) . . . . ?
C46_7 C47_7 C48_7 C41_7 178(4) . . . . ?
C46_7 C47_7 C48_7 C49_7 0.0 . . . . ?
C41_7 C48_7 C49_7 C50_7 -178(4) . . . . ?
C47_7 C48_7 C49_7 C50_7 0.0 . . . . ?
C48_7 C49_7 C50_7 N45_7 0.0 . . . . ?
C46_7 N45_7 C50_7 C49_7 0.0 . . . . ?
Pd1_13 N45_7 C50_7 C49_7 -173(3) . . . . ?
C56_7 N51_7 C52_7 C53_7 0.0 . . . . ?
Pd1_12 N51_7 C52_7 C53_7 170(2) . . . . ?
N51_7 C52_7 C53_7 C54_7 0.0 . . . . ?
C52_7 C53_7 C54_7 C55_7 0.0 . . . . ?
C52_7 C53_7 C54_7 C43_7 -164(3) . . . . ?
N42_7 C43_7 C54_7 C53_7 -160(2) . . . . ?
N44_7 C43_7 C54_7 C53_7 17(4) . . . . ?
N42_7 C43_7 C54_7 C55_7 35(3) . . . . ?
N44_7 C43_7 C54_7 C55_7 -147(2) . . . . ?
C53_7 C54_7 C55_7 C56_7 0.0 . . . . ?
C43_7 C54_7 C55_7 C56_7 164(3) . . . . ?
C54_7 C55_7 C56_7 N51_7 0.0 . . . . ?
C52_7 N51_7 C56_7 C55_7 0.0 . . . . ?
Pd1_12 N51_7 C56_7 C55_7 -169(3) . . . . ?
C1_8 N3_8 C4_8 C5_8 -147(4) . . . . ?
C2_8 N3_8 C4_8 C5_8 90(5) . . . . ?
Pd1_8 N3_8 C4_8 C5_8 -39(4) . . . . ?
N3_8 C4_8 C5_8 N6_8 64(5) . . . . ?
C4_8 C5_8 N6_8 C8_8 -178(4) . . . . ?
C4_8 C5_8 N6_8 C7_8 58(5) . . . . ?
C4_8 C5_8 N6_8 Pd1_8 -50(4) . . . . ?
C2_9 N3_9 C4_9 C5_9 -65(5) . . . . ?
C1_9 N3_9 C4_9 C5_9 167(5) . . . . ?
Pd1_9 N3_9 C4_9 C5_9 34(4) . . . . ?
N3_9 C4_9 C5_9 N6_9 -48(6) . . . . ?
C4_9 C5_9 N6_9 C7_9 156(4) . . . . ?
C4_9 C5_9 N6_9 C8_9 -88(5) . . . . ?
C4_9 C5_9 N6_9 Pd1_9 33(5) . . . . ?
C2_10 N3_10 C4_10 C5_10 -60(5) . . . . ?
C1_10 N3_10 C4_10 C5_10 172(4) . . . . ?
Pd1_10 N3_10 C4_10 C5_10 51(3) . . . . ?
N3_10 C4_10 C5_10 N6_10 -64(4) . . . . ?
C4_10 C5_10 N6_10 C8_10 159(4) . . . . ?
C4_10 C5_10 N6_10 C7_10 -76(4) . . . . ?
C4_10 C5_10 N6_10 Pd1_10 40(4) . . . . ?
C1_11 N3_11 C4_11 C5_11 -84(5) . . . . ?
C2_11 N3_11 C4_11 C5_11 155(4) . . . . ?
Pd1_11 N3_11 C4_11 C5_11 42(4) . . . . ?
N3_11 C4_11 C5_11 N6_11 -56(5) . . . . ?
C4_11 C5_11 N6_11 C8_11 168(4) . . . . ?
C4_11 C5_11 N6_11 C7_11 -72(5) . . . . ?
C4_11 C5_11 N6_11 Pd1_11 37(4) . . . . ?
C1_12 N3_12 C4_12 C5_12 -85(5) . . . . ?
C2_12 N3_12 C4_12 C5_12 147(5) . . . . ?
Pd1_12 N3_12 C4_12 C5_12 30(5) . . . . ?
N3_12 C4_12 C5_12 N6_12 -49(6) . . . . ?
C4_12 C5_12 N6_12 C7_12 -70(5) . . . . ?
C4_12 C5_12 N6_12 C8_12 171(5) . . . . ?
C4_12 C5_12 N6_12 Pd1_12 42(5) . . . . ?
C1_13 N3_13 C4_13 C5_13 147(4) . . . . ?
C2_13 N3_13 C4_13 C5_13 -90(5) . . . . ?
Pd1_13 N3_13 C4_13 C5_13 24(4) . . . . ?
N3_13 C4_13 C5_13 N6_13 -43(5) . . . . ?
C4_13 C5_13 N6_13 C7_13 -82(5) . . . . ?
C4_13 C5_13 N6_13 C8_13 160(4) . . . . ?
C4_13 C5_13 N6_13 Pd1_13 37(4) . . . . ?
C2_14 N3_14 C4_14 C5_14 100(6) . . . . ?
C1_14 N3_14 C4_14 C5_14 -132(5) . . . . ?
Pd1_14 N3_14 C4_14 C5_14 -22(5) . . . . ?
N3_14 C4_14 C5_14 N6_14 52(6) . . . . ?
C4_14 C5_14 N6_14 C7_14 -166(5) . . . . ?
C4_14 C5_14 N6_14 C8_14 75(6) . . . . ?
C4_14 C5_14 N6_14 Pd1_14 -50(4) . . . . ?
C2_16 N3_16 C4_16 C5_16 -69(6) . . . . ?
C1_16 N3_16 C4_16 C5_16 164(4) . . . . ?
Pd1_16 N3_16 C4_16 C5_16 49(5) . . . . ?
N3_16 C4_16 C5_16 N6_16 -39(7) . . . . ?
C4_16 C5_16 N6_16 C8_16 130(5) . . . . ?
C4_16 C5_16 N6_16 C7_16 -109(5) . . . . ?
C4_16 C5_16 N6_16 Pd1_16 9(5) . . . . ?
C1_17 N3_17 C4_17 C5_17 60(5) . . . . ?
C2_17 N3_17 C4_17 C5_17 -175(4) . . . . ?
Pd1_17 N3_17 C4_17 C5_17 -39(4) . . . . ?
N3_17 C4_17 C5_17 N6_17 70(5) . . . . ?
C4_17 C5_17 N6_17 C8_17 69(5) . . . . ?
C4_17 C5_17 N6_17 C7_17 -170(4) . . . . ?
C4_17 C5_17 N6_17 Pd1_17 -57(4) . . . . ?
C1_18 N3_18 C4_18 C5_18 69(5) . . . . ?
C2_18 N3_18 C4_18 C5_18 -170(4) . . . . ?
Pd1_18 N3_18 C4_18 C5_18 -40(4) . . . . ?
N3_18 C4_18 C5_18 N6_18 60(5) . . . . ?
C4_18 C5_18 N6_18 C8_18 -162(5) . . . . ?
C4_18 C5_18 N6_18 C7_18 73(6) . . . . ?
C4_18 C5_18 N6_18 Pd1_18 -47(4) . . . . ?
C1_19 N3_19 C4_19 C5_19 111(6) . . . . ?
C2_19 N3_19 C4_19 C5_19 -125(5) . . . . ?
Pd1_19 N3_19 C4_19 C5_19 -13(5) . . . . ?
N3_19 C4_19 C5_19 N6_19 39(7) . . . . ?
C4_19 C5_19 N6_19 C7_19 72(6) . . . . ?
C4_19 C5_19 N6_19 C8_19 -168(5) . . . . ?
C4_19 C5_19 N6_19 Pd1_19 -42(5) . . . . ?
C2_20 N3_20 C4_20 C5_20 -95(6) . . . . ?
C1_20 N3_20 C4_20 C5_20 146(6) . . . . ?
Pd1_20 N3_20 C4_20 C5_20 21(6) . . . . ?
N3_20 C4_20 C5_20 N6_20 -31(6) . . . . ?
C4_20 C5_20 N6_20 C8_20 -109(7) . . . . ?
C4_20 C5_20 N6_20 C7_20 145(6) . . . . ?
C4_20 C5_20 N6_20 Pd1_20 28(5) . . . . ?

_refine_diff_density_max         2.333
_refine_diff_density_min         -1.156
_refine_diff_density_rms         0.147


# start Validation Reply Form
_vrf_THETM01_p63_sq              
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: The crystals of this giant supramolecular host-guest complex seem to 
diffract weekly in nature, due to a large amount of amorphous solvents and 
highly-disordered counterions existing in the unit cell. There was just no
 significant diffraction intensity at high angles.
;
_vrf_PLAT090_p63_sq              
;
PROBLEM: Poor Data / Parameter Ratio (Zmax > 18) ........ 4.68 Note 
RESPONSE: Due to the reason described above, the crystal data quality is poor
 despite many attempts.
;
_vrf_PLAT342_p63_sq              
;
PROBLEM: Low Bond Precision on C-C Bonds ............... 0.06184 Ang. 
RESPONSE: Due to the reason described above, the resolution of the data is poor, 
resulting in low bond precision on C-C bonds.
;
# end Validation Reply Form


####################################################################### 
# 
# 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_output_sq_s
_database_code_depnum_ccdc_archive 'CCDC 2380035'
loop_
_audit_author_name
_audit_author_address
'Lixuan Cai'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2025-02-25 deposited with the CCDC.	2025-03-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C112 H128 N32 Pd4,  W10 O32, 8(N O3), 95.5(H2 O) '
_chemical_formula_sum            'C112 H319 N40 O151.50 Pd4 W10'
_chemical_formula_weight         6915.15

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0032 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0032 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -1.0623 0.9681 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.6782 6.5990 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      tetragonal
_space_group_IT_number           88
_space_group_name_H-M_alt        'I 41/a'
_space_group_name_Hall           '-I 4ad'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-y+3/4, x+1/4, z+1/4'
'y+3/4, -x+3/4, z+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-y+5/4, x+3/4, z+3/4'
'y+5/4, -x+5/4, z+5/4'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'y-3/4, -x-1/4, -z-1/4'
'-y-3/4, x-3/4, -z-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'x, y+1/2, -z'
'y-1/4, -x+1/4, -z+1/4'
'-y-1/4, x-1/4, -z-1/4'

_cell_length_a                   57.774(8)
_cell_length_b                   57.774(8)
_cell_length_c                   36.483(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     121774(42)
_cell_formula_units_Z            16
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    241430
_cell_measurement_theta_min      0.39
_cell_measurement_theta_max      25.84

_exptl_crystal_description       sheet
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.509
_exptl_crystal_F_000             54512
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_exptl_absorpt_coefficient_mu    3.736
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4396
_exptl_absorpt_correction_T_max  0.7444
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.68875
_diffrn_radiation_type           Synchrotron
_diffrn_source                   'SSRF BL17B Beamline'
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            31850
_diffrn_reflns_av_unetI/netI     0.0470
_diffrn_reflns_av_R_equivalents  0.09
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_h_max       67
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_theta_min         0.966
_diffrn_reflns_theta_max         20.142
_diffrn_reflns_theta_full        20.142
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             31850
_reflns_number_gt                20091
_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       SSRF_BL17B
_computing_cell_refinement       HKL-3000
_computing_data_reduction        HKL-3000
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_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           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         31850
_refine_ls_number_parameters     1643
_refine_ls_number_restraints     1917
_refine_ls_R_factor_all          0.1046
_refine_ls_R_factor_gt           0.0762
_refine_ls_wR_factor_ref         0.2908
_refine_ls_wR_factor_gt          0.2604
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
N13 N 0.6553(3) 0.3981(3) 0.5341(5) 0.201(10) Uani 1 1 d G . . . .
C14 C 0.6380(4) 0.4049(3) 0.5582(6) 0.194(10) Uani 1 1 d G . . . .
H14 H 0.633906 0.420779 0.560144 0.233 Uiso 1 1 calc R U . . .
C15 C 0.6266(3) 0.3885(4) 0.5795(4) 0.182(10) Uani 1 1 d G . . . .
H15 H 0.614795 0.393157 0.595987 0.219 Uiso 1 1 calc R U . . .
C16 C 0.6326(3) 0.3653(4) 0.5767(5) 0.165(8) Uani 1 1 d G . . . .
C17 C 0.6499(3) 0.3584(3) 0.5526(5) 0.188(10) Uani 1 1 d G . . . .
H17 H 0.654028 0.342542 0.550633 0.226 Uiso 1 1 calc R U . . .
C18 C 0.6613(2) 0.3748(4) 0.5313(4) 0.156(8) Uani 1 1 d G . . . .
H18 H 0.673140 0.370163 0.514790 0.187 Uiso 1 1 calc R U . . .
N1_1 N 0.6162(3) 0.2384(2) 0.5937(4) 0.148(6) Uani 1 1 d G U . . .
C2_1 C 0.6334(2) 0.2539(3) 0.5835(4) 0.168(8) Uani 1 1 d G U . . .
H2_1 H 0.646971 0.248411 0.571615 0.202 Uiso 1 1 calc R U . . .
C3_1 C 0.6308(3) 0.2773(3) 0.5909(5) 0.173(8) Uani 1 1 d G U . . .
H3_1 H 0.642603 0.287916 0.583959 0.208 Uiso 1 1 calc R U . . .
C4_1 C 0.6110(3) 0.2853(2) 0.6083(5) 0.153(6) Uani 1 1 d G U . . .
C5_1 C 0.5937(3) 0.2698(3) 0.6185(4) 0.162(7) Uani 1 1 d G U . . .
H5_1 H 0.580146 0.275227 0.630384 0.194 Uiso 1 1 calc R U . . .
C6_1 C 0.5963(2) 0.2463(3) 0.6111(4) 0.152(7) Uani 1 1 d G U . . .
H6_1 H 0.584514 0.235722 0.618042 0.183 Uiso 1 1 calc R U . . .
C7_1 C 0.6113(5) 0.3099(6) 0.6146(8) 0.147(6) Uani 1 1 d . U . . .
N8_1 N 0.6211(4) 0.3242(4) 0.5922(6) 0.159(6) Uani 1 1 d . U . . .
C9_1 C 0.6196(5) 0.3486(5) 0.6003(8) 0.144(6) Uani 1 1 d . U . . .
N10_1 N 0.6090(4) 0.3552(4) 0.6301(6) 0.145(6) Uani 1 1 d . U . . .
N12_1 N 0.5969(4) 0.3169(4) 0.6410(5) 0.144(5) Uani 1 1 d . U . . .
C11_1 C 0.5988(6) 0.3415(6) 0.6499(9) 0.162(7) Uani 1 1 d . U . . .
N19_1 N 0.5637(4) 0.3606(4) 0.7462(6) 0.147(6) Uani 1 1 d . U . . .
C20_1 C 0.5613(5) 0.3390(5) 0.7370(8) 0.156(7) Uani 1 1 d . U . . .
H20_1 H 0.553154 0.328389 0.752127 0.187 Uiso 1 1 calc R U . . .
C21_1 C 0.5716(5) 0.3316(4) 0.7025(8) 0.154(7) Uani 1 1 d . U . . .
H21_1 H 0.569128 0.316426 0.693439 0.185 Uiso 1 1 calc R U . . .
C22_1 C 0.5849(5) 0.3469(5) 0.6834(8) 0.146(6) Uani 1 1 d . U . . .
C23_1 C 0.5868(5) 0.3680(5) 0.6950(8) 0.156(7) Uani 1 1 d . U . . .
H23_1 H 0.596143 0.378951 0.682423 0.187 Uiso 1 1 calc R U . . .
C24_1 C 0.5742(6) 0.3745(5) 0.7276(8) 0.164(8) Uani 1 1 d . U . . .
H24_1 H 0.574115 0.390299 0.734853 0.197 Uiso 1 1 calc R U . . .
C25_1 C 0.5525(5) 0.3692(4) 0.7816(8) 0.166(7) Uani 1 1 d . U . . .
H25A_1 H 0.536477 0.374521 0.776598 0.199 Uiso 1 1 calc R U . . .
H25B_1 H 0.561378 0.382380 0.791632 0.199 Uiso 1 1 calc R U . . .
C26_1 C 0.5521(3) 0.3490(2) 0.8097(4) 0.144(6) Uani 1 1 d G U . . .
C27_1 C 0.5322(2) 0.3377(3) 0.8215(5) 0.175(8) Uani 1 1 d G U . . .
H27_1 H 0.517461 0.342315 0.812483 0.210 Uiso 1 1 calc R U . . .
C28_1 C 0.5338(2) 0.3196(3) 0.8464(5) 0.169(8) Uani 1 1 d G U . . .
H28_1 H 0.520268 0.311821 0.854461 0.203 Uiso 1 1 calc R U . . .
C29_1 C 0.5554(3) 0.3128(2) 0.8596(4) 0.146(6) Uani 1 1 d G U . . .
C30_1 C 0.5753(2) 0.3241(3) 0.8478(5) 0.150(7) Uani 1 1 d G U . . .
H30_1 H 0.589981 0.319515 0.856791 0.181 Uiso 1 1 calc R U . . .
C31_1 C 0.5736(3) 0.3423(3) 0.8229(5) 0.163(7) Uani 1 1 d G U . . .
H31_1 H 0.587175 0.350010 0.814814 0.196 Uiso 1 1 calc R U . . .
C32_1 C 0.5578(4) 0.2924(4) 0.8853(7) 0.147(6) Uani 1 1 d . U . . .
H32A_1 H 0.562827 0.297970 0.909689 0.176 Uiso 1 1 calc R U . . .
H32B_1 H 0.542635 0.284697 0.888095 0.176 Uiso 1 1 calc R U . . .
N33_1 N 0.5748(3) 0.2759(3) 0.8709(5) 0.120(4) Uani 1 1 d . U . . .
C34_1 C 0.5956(4) 0.2740(4) 0.8836(6) 0.122(6) Uani 1 1 d . U . . .
H34_1 H 0.598933 0.282457 0.905259 0.147 Uiso 1 1 calc R U . . .
C35_1 C 0.6132(4) 0.2611(3) 0.8694(6) 0.109(5) Uani 1 1 d . U . . .
H35_1 H 0.627416 0.258836 0.881850 0.130 Uiso 1 1 calc R U . . .
C36_1 C 0.6087(3) 0.2519(4) 0.8359(6) 0.116(5) Uani 1 1 d D U . . .
C37_1 C 0.5854(4) 0.2533(4) 0.8185(6) 0.129(6) Uani 1 1 d . U . . .
H37_1 H 0.581995 0.245364 0.796324 0.155 Uiso 1 1 calc R U . . .
C38_1 C 0.5687(4) 0.2671(4) 0.8366(7) 0.136(6) Uani 1 1 d . U . . .
H38_1 H 0.554020 0.270163 0.826001 0.163 Uiso 1 1 calc R U . . .
C39_1 C 0.6274(3) 0.2399(3) 0.8146(6) 0.104(4) Uani 1 1 d D U . . .
N40_1 N 0.6472(3) 0.2373(3) 0.8316(4) 0.107(4) Uani 1 1 d . U . . .
C41_1 C 0.6629(4) 0.2274(4) 0.8124(6) 0.116(5) Uani 1 1 d . U . . .
N42_1 N 0.6609(3) 0.2205(3) 0.7771(5) 0.117(4) Uani 1 1 d . U . . .
C43_1 C 0.6398(3) 0.2246(3) 0.7617(5) 0.106(4) Uani 1 1 d D U . . .
N44_1 N 0.6214(3) 0.2334(2) 0.7805(5) 0.106(4) Uani 1 1 d . U . . .
N45_1 N 0.6272(3) 0.2051(3) 0.6504(5) 0.136(6) Uani 1 1 d . U . . .
C46_1 C 0.6106(4) 0.2059(4) 0.6756(7) 0.148(7) Uani 1 1 d . U . . .
H46_1 H 0.595202 0.202193 0.668834 0.178 Uiso 1 1 calc R U . . .
C47_1 C 0.6150(4) 0.2118(4) 0.7096(6) 0.139(7) Uani 1 1 d . U . . .
H47_1 H 0.602496 0.211501 0.726469 0.167 Uiso 1 1 calc R U . . .
C48_1 C 0.6355(4) 0.2180(4) 0.7223(5) 0.118(5) Uani 1 1 d D U . . .
C49_1 C 0.6535(4) 0.2168(4) 0.6987(5) 0.116(5) Uani 1 1 d . U . . .
H49_1 H 0.668776 0.219199 0.707660 0.139 Uiso 1 1 calc R U . . .
C50_1 C 0.6500(4) 0.2118(4) 0.6598(6) 0.130(6) Uani 1 1 d . U . . .
H50_1 H 0.662129 0.212933 0.642205 0.156 Uiso 1 1 calc R U . . .
N51_1 N 0.7264(3) 0.2115(3) 0.8649(4) 0.105(4) Uani 1 1 d . U . . .
C52_1 C 0.7240(3) 0.2104(3) 0.8274(5) 0.101(5) Uani 1 1 d . U . . .
H52_1 H 0.736969 0.205695 0.813296 0.121 Uiso 1 1 calc R U . . .
C53_1 C 0.7044(3) 0.2154(3) 0.8099(5) 0.101(4) Uani 1 1 d . U . . .
H53_1 H 0.703550 0.213873 0.783989 0.121 Uiso 1 1 calc R U . . .
C54_1 C 0.6853(3) 0.2230(4) 0.8297(5) 0.112(5) Uani 1 1 d . U . . .
C55_1 C 0.6868(4) 0.2264(4) 0.8663(5) 0.123(6) Uani 1 1 d . U . . .
H55_1 H 0.674243 0.232675 0.879869 0.147 Uiso 1 1 calc R U . . .
C56_1 C 0.7078(4) 0.2204(4) 0.8837(5) 0.116(5) Uani 1 1 d . U . . .
H56_1 H 0.709133 0.222484 0.909406 0.139 Uiso 1 1 calc R U . . .
N1_2 N 0.6944(3) 0.4212(3) 0.5562(3) 0.150(6) Uani 1 1 d G U . . .
C2_2 C 0.7131(3) 0.4066(3) 0.5618(3) 0.162(8) Uani 1 1 d G U . . .
H2_2 H 0.718083 0.396482 0.542857 0.194 Uiso 1 1 calc R U . . .
C3_2 C 0.7247(2) 0.4068(3) 0.5953(4) 0.146(7) Uani 1 1 d G U . . .
H3_2 H 0.737478 0.396769 0.599163 0.175 Uiso 1 1 calc R U . . .
C4_2 C 0.7174(2) 0.4216(3) 0.6230(3) 0.120(5) Uani 1 1 d G U . . .
C5_2 C 0.6986(3) 0.4362(2) 0.6174(4) 0.129(6) Uani 1 1 d G U . . .
H5_2 H 0.693697 0.446298 0.636350 0.155 Uiso 1 1 calc R U . . .
C6_2 C 0.6871(2) 0.4360(3) 0.5839(4) 0.151(7) Uani 1 1 d G U . . .
H6_2 H 0.674302 0.446011 0.580045 0.181 Uiso 1 1 calc R U . . .
N13_2 N 0.83288(14) 0.3888(2) 0.6904(3) 0.108(4) Uani 1 1 d G U . . .
C14_2 C 0.82643(18) 0.4056(2) 0.7159(3) 0.118(5) Uani 1 1 d G U . . .
H14_2 H 0.837240 0.410740 0.733692 0.142 Uiso 1 1 calc R U . . .
C15_2 C 0.8042(2) 0.41468(19) 0.7152(3) 0.105(5) Uani 1 1 d G U . . .
H15_2 H 0.799767 0.426096 0.732620 0.126 Uiso 1 1 calc R U . . .
C16_2 C 0.78836(15) 0.4071(2) 0.6892(3) 0.108(4) Uani 1 1 d DG U . . .
C17_2 C 0.79480(18) 0.3904(2) 0.6637(3) 0.110(5) Uani 1 1 d G U . . .
H17_2 H 0.783995 0.385194 0.645888 0.132 Uiso 1 1 calc R U . . .
C18_2 C 0.8171(2) 0.38126(19) 0.6643(3) 0.116(5) Uani 1 1 d G U . . .
H18_2 H 0.821468 0.369838 0.646959 0.139 Uiso 1 1 calc R U . . .
C19_2 C 0.7638(3) 0.4163(3) 0.6881(5) 0.099(4) Uani 1 1 d D U . . .
N20_2 N 0.7554(3) 0.4276(3) 0.7170(4) 0.106(4) Uani 1 1 d . U . . .
C21_2 C 0.7334(4) 0.4345(3) 0.7143(6) 0.109(5) Uani 1 1 d . U . . .
N22_2 N 0.7207(3) 0.4334(3) 0.6862(5) 0.115(4) Uani 1 1 d . U . . .
C23_2 C 0.7303(4) 0.4238(4) 0.6577(6) 0.115(5) Uani 1 1 d . U . . .
N24_2 N 0.7514(3) 0.4142(3) 0.6570(4) 0.114(4) Uani 1 1 d . U . . .
N25_2 N 0.7043(3) 0.4600(3) 0.8133(4) 0.109(4) Uani 1 1 d . U . . .
C26_2 C 0.6935(4) 0.4612(4) 0.7798(5) 0.111(5) Uani 1 1 d . U . . .
H26_2 H 0.678573 0.468014 0.779144 0.133 Uiso 1 1 calc R U . . .
C27_2 C 0.7020(4) 0.4540(3) 0.7488(5) 0.109(5) Uani 1 1 d . U . . .
H27_2 H 0.693318 0.454880 0.726705 0.130 Uiso 1 1 calc R U . . .
C28_2 C 0.7239(3) 0.4451(3) 0.7495(5) 0.101(4) Uani 1 1 d . U . . .
C29_2 C 0.7360(4) 0.4461(4) 0.7802(5) 0.114(5) Uani 1 1 d . U . . .
H29_2 H 0.751969 0.442204 0.779577 0.137 Uiso 1 1 calc R U . . .
C30_2 C 0.7263(4) 0.4526(4) 0.8131(6) 0.121(6) Uani 1 1 d . U . . .
H30_2 H 0.734983 0.451881 0.835180 0.146 Uiso 1 1 calc R U . . .
C31_2 C 0.6943(4) 0.4673(4) 0.8464(5) 0.130(5) Uani 1 1 d . U . . .
H31A_2 H 0.677320 0.465239 0.844680 0.156 Uiso 1 1 calc R U . . .
H31B_2 H 0.697314 0.484087 0.849289 0.156 Uiso 1 1 calc R U . . .
C32_2 C 0.7024(2) 0.4556(2) 0.8789(3) 0.116(5) Uani 1 1 d G U . . .
C33_2 C 0.7164(2) 0.46532(17) 0.9057(4) 0.120(5) Uani 1 1 d G U . . .
H33_2 H 0.720074 0.481342 0.904769 0.143 Uiso 1 1 calc R U . . .
C34_2 C 0.7250(2) 0.4516(2) 0.9339(3) 0.116(5) Uani 1 1 d G U . . .
H34_2 H 0.734621 0.458317 0.952241 0.139 Uiso 1 1 calc R U . . .
C35_2 C 0.7197(2) 0.4282(2) 0.9353(3) 0.110(4) Uani 1 1 d G U . . .
C36_2 C 0.7057(2) 0.41845(17) 0.9084(4) 0.111(5) Uani 1 1 d G U . . .
H36_2 H 0.701986 0.402435 0.909350 0.133 Uiso 1 1 calc R U . . .
C37_2 C 0.69702(19) 0.4321(2) 0.8802(3) 0.114(5) Uani 1 1 d G U . . .
H37_2 H 0.687438 0.425460 0.861878 0.137 Uiso 1 1 calc R U . . .
C38_2 C 0.7320(3) 0.4132(3) 0.9635(5) 0.111(5) Uani 1 1 d . U . . .
H38A_2 H 0.742465 0.422944 0.978405 0.133 Uiso 1 1 calc R U . . .
H38B_2 H 0.720410 0.406143 0.980106 0.133 Uiso 1 1 calc R U . . .
N39_2 N 0.7457(3) 0.3945(3) 0.9448(4) 0.113(4) Uani 1 1 d . U . . .
C40_2 C 0.7625(4) 0.4022(4) 0.9171(6) 0.129(6) Uani 1 1 d . U . . .
H40_2 H 0.766547 0.418100 0.914454 0.155 Uiso 1 1 calc R U . . .
C41_2 C 0.7724(4) 0.3851(3) 0.8949(5) 0.111(5) Uani 1 1 d . U . . .
H41_2 H 0.782892 0.389417 0.876126 0.133 Uiso 1 1 calc R U . . .
C42_2 C 0.7671(3) 0.3621(4) 0.8999(5) 0.107(5) Uani 1 1 d . U . . .
C43_2 C 0.7526(4) 0.3551(4) 0.9300(5) 0.114(5) Uani 1 1 d . U . . .
H43_2 H 0.750738 0.339132 0.935444 0.137 Uiso 1 1 calc R U . . .
C44_2 C 0.7417(4) 0.3714(3) 0.9508(5) 0.111(5) Uani 1 1 d . U . . .
H44_2 H 0.731201 0.366682 0.969446 0.133 Uiso 1 1 calc R U . . .
C45_2 C 0.7785(3) 0.3442(3) 0.8774(5) 0.098(4) Uani 1 1 d . U . . .
N46_2 N 0.7931(3) 0.3522(3) 0.8534(4) 0.102(4) Uani 1 1 d . U . . .
C47_2 C 0.7998(3) 0.3344(3) 0.8285(5) 0.098(4) Uani 1 1 d . U . . .
N48_2 N 0.7944(3) 0.3131(3) 0.8294(4) 0.099(4) Uani 1 1 d . U . . .
C49_2 C 0.7793(3) 0.3085(3) 0.8585(5) 0.096(4) Uani 1 1 d . U . . .
N50_2 N 0.7718(3) 0.3225(3) 0.8829(4) 0.100(4) Uani 1 1 d . U . . .
N51_2 N 0.8447(3) 0.3564(3) 0.7408(4) 0.110(4) Uani 1 1 d . U . . .
C52_2 C 0.8300(3) 0.3378(4) 0.7381(6) 0.111(5) Uani 1 1 d . U . . .
H52_2 H 0.830045 0.329286 0.715845 0.133 Uiso 1 1 calc R U . . .
C53_2 C 0.8159(3) 0.3309(3) 0.7644(5) 0.100(5) Uani 1 1 d . U . . .
H53_2 H 0.806161 0.317908 0.760394 0.120 Uiso 1 1 calc R U . . .
C54_2 C 0.8152(3) 0.3424(3) 0.7977(5) 0.097(4) Uani 1 1 d . U . . .
C55_2 C 0.8297(3) 0.3619(3) 0.8024(5) 0.098(4) Uani 1 1 d . U . . .
H55_2 H 0.830317 0.369386 0.825569 0.117 Uiso 1 1 calc R U . . .
C56_2 C 0.8437(4) 0.3704(4) 0.7728(6) 0.133(6) Uani 1 1 d . U . . .
H56_2 H 0.851750 0.384644 0.774443 0.160 Uiso 1 1 calc R U . . .
N57_2 N 0.76527(19) 0.23673(15) 0.8789(3) 0.103(4) Uani 1 1 d G U . . .
C58_2 C 0.7589(2) 0.2538(2) 0.9038(3) 0.117(5) Uani 1 1 d G U . . .
H58_2 H 0.751461 0.249617 0.926111 0.140 Uiso 1 1 calc R U . . .
C59_2 C 0.7633(2) 0.27692(18) 0.8961(3) 0.114(5) Uani 1 1 d G U . . .
H59_2 H 0.758936 0.288570 0.913123 0.136 Uiso 1 1 calc R U . . .
C60_2 C 0.7742(2) 0.28301(15) 0.8635(3) 0.112(5) Uani 1 1 d G U . . .
C61_2 C 0.7806(2) 0.2660(2) 0.8386(3) 0.111(5) Uani 1 1 d G U . . .
H61_2 H 0.787959 0.270125 0.816292 0.133 Uiso 1 1 calc R U . . .
C62_2 C 0.7761(2) 0.24282(18) 0.8463(3) 0.109(5) Uani 1 1 d G U . . .
H62_2 H 0.780484 0.231173 0.829280 0.131 Uiso 1 1 calc R U . . .
N1_3 N 0.7869(3) 0.1975(3) 0.9189(5) 0.120(4) Uani 1 1 d D U . . .
Pd1_3 Pd 0.75607(3) 0.20392(3) 0.89177(4) 0.1075(5) Uani 1 1 d . U . . .
C2_3 C 0.7972(5) 0.2129(4) 0.9444(6) 0.162(8) Uani 1 1 d D U . . .
H2A_3 H 0.812897 0.216730 0.936370 0.195 Uiso 1 1 calc R U . . .
H2B_3 H 0.797735 0.205597 0.968570 0.195 Uiso 1 1 calc R U . . .
H2C_3 H 0.787909 0.227114 0.945745 0.195 Uiso 1 1 calc R U . . .
Pd2_3 Pd 0.86208(3) 0.37038(3) 0.69842(5) 0.1207(6) Uani 1 1 d . U . . .
C3_3 C 0.8059(4) 0.1931(5) 0.8934(7) 0.156(8) Uani 1 1 d . U . . .
H3A_3 H 0.802090 0.179835 0.877828 0.234 Uiso 1 1 calc R U . . .
H3AB_3 H 0.820110 0.189823 0.907147 0.234 Uiso 1 1 calc R U . . .
H3AC_3 H 0.808344 0.206819 0.877950 0.234 Uiso 1 1 calc R U . . .
Pd3_3 Pd 0.67611(5) 0.41990(5) 0.50846(6) 0.1850(10) Uani 1 1 d D U . . .
C4_3 C 0.7809(5) 0.1733(4) 0.9420(7) 0.150(6) Uani 1 1 d . U . . .
H4A_3 H 0.795556 0.165637 0.949133 0.180 Uiso 1 1 calc R U . . .
H4AB_3 H 0.772421 0.177298 0.964663 0.180 Uiso 1 1 calc R U . . .
Pd4_3 Pd 0.62125(4) 0.20306(4) 0.59512(6) 0.1543(8) Uani 1 1 d . U . . .
C5_3 C 0.7675(5) 0.1577(4) 0.9212(8) 0.156(7) Uani 1 1 d . U . . .
H5A_3 H 0.762494 0.144473 0.936588 0.187 Uiso 1 1 calc R U . . .
H5AB_3 H 0.776611 0.151582 0.900338 0.187 Uiso 1 1 calc R U . . .
N6_3 N 0.7461(3) 0.1711(3) 0.9070(5) 0.128(5) Uani 1 1 d D U . . .
C7_3 C 0.7357(5) 0.1592(4) 0.8769(6) 0.171(9) Uani 1 1 d D U . . .
H7A_3 H 0.732060 0.143322 0.884130 0.205 Uiso 1 1 calc R U . . .
H7B_3 H 0.746396 0.159056 0.856058 0.205 Uiso 1 1 calc R U . . .
H7C_3 H 0.721387 0.167224 0.869784 0.205 Uiso 1 1 calc R U . . .
C8_3 C 0.7275(4) 0.1704(4) 0.9363(7) 0.158(8) Uani 1 1 d . U . . .
H8A_3 H 0.716704 0.183293 0.932663 0.237 Uiso 1 1 calc R U . . .
H8AB_3 H 0.734666 0.171704 0.960561 0.237 Uiso 1 1 calc R U . . .
H8AC_3 H 0.719033 0.155720 0.934667 0.237 Uiso 1 1 calc R U . . .
N9_3 N 0.6234(3) 0.1681(4) 0.5951(6) 0.168(6) Uani 1 1 d D U . . .
C10_3 C 0.6438(4) 0.1594(4) 0.6159(7) 0.183(9) Uani 1 1 d D U . . .
H10A_3 H 0.643292 0.165398 0.640991 0.274 Uiso 1 1 calc R U . . .
H10B_3 H 0.658044 0.164577 0.603887 0.274 Uiso 1 1 calc R U . . .
H10C_3 H 0.643434 0.142427 0.616477 0.274 Uiso 1 1 calc R U . . .
C11_3 C 0.6033(5) 0.1581(5) 0.6151(9) 0.225(11) Uani 1 1 d D U . . .
H11A_3 H 0.590924 0.169650 0.616815 0.338 Uiso 1 1 calc R U . . .
H11B_3 H 0.608115 0.153478 0.639776 0.338 Uiso 1 1 calc R U . . .
H11C_3 H 0.597547 0.144476 0.601817 0.338 Uiso 1 1 calc R U . . .
C12_3 C 0.6235(5) 0.1614(6) 0.5572(7) 0.207(9) Uani 1 1 d D U . . .
H12A_3 H 0.639665 0.161147 0.548416 0.248 Uiso 1 1 calc R U . . .
H12B_3 H 0.617354 0.145406 0.555344 0.248 Uiso 1 1 calc R U . . .
C13_3 C 0.6103(6) 0.1759(6) 0.5340(9) 0.202(9) Uani 1 1 d . U . . .
H13A_3 H 0.593714 0.172087 0.536880 0.242 Uiso 1 1 calc R U . . .
H13B_3 H 0.614626 0.172691 0.508205 0.242 Uiso 1 1 calc R U . . .
N14_3 N 0.6135(4) 0.2002(5) 0.5410(6) 0.180(7) Uani 1 1 d D U . . .
C15_3 C 0.5920(5) 0.2100(7) 0.5275(9) 0.248(14) Uani 1 1 d D U . . .
H15A_3 H 0.594701 0.226001 0.519758 0.372 Uiso 1 1 calc R U . . .
H15B_3 H 0.580386 0.209676 0.546998 0.372 Uiso 1 1 calc R U . . .
H15C_3 H 0.586548 0.200872 0.506568 0.372 Uiso 1 1 calc R U . . .
C16_3 C 0.6326(5) 0.2075(5) 0.5189(7) 0.204(10) Uani 1 1 d D U . . .
H16A_3 H 0.646137 0.197977 0.524464 0.245 Uiso 1 1 calc R U . . .
H16B_3 H 0.636066 0.223780 0.524099 0.245 Uiso 1 1 calc R U . . .
H16C_3 H 0.628544 0.205800 0.492928 0.245 Uiso 1 1 calc R U . . .
N17_3 N 0.8915(3) 0.3511(3) 0.7056(5) 0.130(5) Uani 1 1 d D U . . .
C18_3 C 0.9017(4) 0.3569(4) 0.7444(6) 0.154(7) Uani 1 1 d D U . . .
H18A_3 H 0.915880 0.366082 0.741481 0.232 Uiso 1 1 calc R U . . .
H18B_3 H 0.905375 0.342499 0.757377 0.232 Uiso 1 1 calc R U . . .
H18C_3 H 0.890367 0.365769 0.758555 0.232 Uiso 1 1 calc R U . . .
C19_3 C 0.8875(4) 0.3258(4) 0.7060(8) 0.175(9) Uani 1 1 d D U . . .
H19A_3 H 0.881942 0.320775 0.681859 0.262 Uiso 1 1 calc R U . . .
H19B_3 H 0.875908 0.321955 0.724630 0.262 Uiso 1 1 calc R U . . .
H19C_3 H 0.902042 0.317797 0.711670 0.262 Uiso 1 1 calc R U . . .
C20_3 C 0.9083(4) 0.3564(4) 0.6777(6) 0.185(8) Uani 1 1 d D U . . .
H20A_3 H 0.923566 0.358750 0.689513 0.222 Uiso 1 1 calc R U . . .
H20B_3 H 0.909704 0.342987 0.660958 0.222 Uiso 1 1 calc R U . . .
C21_3 C 0.9028(3) 0.3763(4) 0.6569(6) 0.173(8) Uani 1 1 d D U . . .
H21A_3 H 0.908037 0.373641 0.631387 0.208 Uiso 1 1 calc R U . . .
H21B_3 H 0.911896 0.389438 0.666682 0.208 Uiso 1 1 calc R U . . .
N22_3 N 0.8787(3) 0.3833(3) 0.6556(5) 0.141(5) Uani 1 1 d D U . . .
C23_3 C 0.8773(4) 0.4098(3) 0.6524(7) 0.209(12) Uani 1 1 d D U . . .
H23A_3 H 0.891352 0.415564 0.640381 0.314 Uiso 1 1 calc R U . . .
H23B_3 H 0.876056 0.416574 0.676918 0.314 Uiso 1 1 calc R U . . .
H23C_3 H 0.863740 0.414049 0.637832 0.314 Uiso 1 1 calc R U . . .
C24_3 C 0.8677(4) 0.3743(5) 0.6198(6) 0.249(14) Uani 1 1 d D U . . .
H24A_3 H 0.857290 0.361380 0.625317 0.373 Uiso 1 1 calc R U . . .
H24B_3 H 0.879946 0.369006 0.603156 0.373 Uiso 1 1 calc R U . . .
H24C_3 H 0.858936 0.386791 0.608050 0.373 Uiso 1 1 calc R U . . .
N25_3 N 0.6576(4) 0.4190(5) 0.4598(6) 0.288(13) Uani 1 1 d D U . . .
C26_3 C 0.6310(4) 0.4218(8) 0.4693(8) 0.36(2) Uani 1 1 d D U . . .
H26A_3 H 0.628915 0.434959 0.485940 0.545 Uiso 1 1 calc R U . . .
H26B_3 H 0.625308 0.407670 0.481040 0.545 Uiso 1 1 calc R U . . .
H26C_3 H 0.622221 0.424597 0.446665 0.545 Uiso 1 1 calc R U . . .
C27_3 C 0.6598(8) 0.3970(5) 0.4397(7) 0.347(18) Uani 1 1 d D U . . .
H27A_3 H 0.648307 0.385933 0.448955 0.521 Uiso 1 1 calc R U . . .
H27B_3 H 0.675350 0.390713 0.443222 0.521 Uiso 1 1 calc R U . . .
H27C_3 H 0.657063 0.399709 0.413515 0.521 Uiso 1 1 calc R U . . .
C28_3 C 0.6654(5) 0.4391(6) 0.4400(8) 0.318(14) Uani 1 1 d D U . . .
H28A_3 H 0.658430 0.453265 0.450434 0.382 Uiso 1 1 calc R U . . .
H28B_3 H 0.661027 0.437935 0.413884 0.382 Uiso 1 1 calc R U . . .
C29_3 C 0.6907(5) 0.4398(6) 0.4438(6) 0.300(12) Uani 1 1 d D U . . .
H29A_3 H 0.697578 0.425153 0.434691 0.360 Uiso 1 1 calc R U . . .
H29B_3 H 0.697143 0.452753 0.429386 0.360 Uiso 1 1 calc R U . . .
N30_3 N 0.6960(4) 0.4428(4) 0.4823(6) 0.256(10) Uani 1 1 d D U . . .
C31_3 C 0.6916(7) 0.4684(3) 0.4935(9) 0.361(18) Uani 1 1 d D U . . .
H31A_3 H 0.706413 0.476140 0.498007 0.541 Uiso 1 1 calc R U . . .
H31B_3 H 0.682208 0.468796 0.515889 0.541 Uiso 1 1 calc R U . . .
H31C_3 H 0.683340 0.476379 0.473738 0.541 Uiso 1 1 calc R U . . .
C32_3 C 0.7224(4) 0.4394(7) 0.4883(9) 0.345(19) Uani 1 1 d D U . . .
H32A_3 H 0.725941 0.422794 0.489608 0.517 Uiso 1 1 calc R U . . .
H32B_3 H 0.727068 0.446851 0.511279 0.517 Uiso 1 1 calc R U . . .
H32C_3 H 0.730967 0.446319 0.467859 0.517 Uiso 1 1 calc R U . . .
W1_4 W 0.74916(2) 0.37167(2) 0.78137(3) 0.1235(3) Uani 1 1 d . U . . .
O1_4 O 0.7738(3) 0.3887(3) 0.7889(4) 0.144(4) Uani 1 1 d . U . . .
W2_4 W 0.69332(2) 0.38355(2) 0.78417(3) 0.1162(3) Uani 1 1 d . U . . .
O2_4 O 0.7258(2) 0.3938(2) 0.7897(3) 0.119(3) Uani 1 1 d . U . . .
W3_4 W 0.71608(2) 0.35986(2) 0.71071(2) 0.1201(3) Uani 1 1 d . U . . .
O3_4 O 0.7417(2) 0.3605(2) 0.8298(3) 0.110(3) Uani 1 1 d . U . . .
W4_4 W 0.73720(2) 0.31756(2) 0.76062(2) 0.1093(3) Uani 1 1 d . U . . .
O4_4 O 0.7598(2) 0.3405(2) 0.7714(3) 0.118(3) Uani 1 1 d . U . . .
W5_4 W 0.71398(2) 0.34146(2) 0.83403(2) 0.1032(3) Uani 1 1 d . U . . .
O5_4 O 0.7433(2) 0.3752(2) 0.7301(3) 0.124(3) Uani 1 1 d . U . . .
W6_4 W 0.63859(2) 0.34866(2) 0.76866(2) 0.1110(3) Uani 1 1 d . U . . .
O6_4 O 0.6795(2) 0.4095(2) 0.7934(4) 0.124(3) Uani 1 1 d . U . . .
W7_4 W 0.66099(2) 0.32568(2) 0.69512(2) 0.1160(3) Uani 1 1 d . U . . .
O7_4 O 0.6976(3) 0.3854(2) 0.7324(3) 0.122(3) Uani 1 1 d . U . . .
W8_4 W 0.65947(2) 0.30614(2) 0.81793(2) 0.1009(3) Uani 1 1 d . U . . .
O8_4 O 0.6953(2) 0.3692(2) 0.8309(3) 0.104(3) Uani 1 1 d . U . . .
W9_4 W 0.68231(2) 0.28295(2) 0.74354(2) 0.1073(3) Uani 1 1 d . U . . .
O9_4 O 0.7164(2) 0.3515(2) 0.7729(3) 0.107(2) Uani 1 1 d . U . . .
W10_4 W 0.62652(2) 0.29469(2) 0.74663(3) 0.1151(3) Uani 1 1 d . U . . .
O11_4 O 0.7312(2) 0.3167(2) 0.8133(3) 0.100(3) Uani 1 1 d . U . . .
O12_4 O 0.7561(2) 0.2964(3) 0.7532(3) 0.120(3) Uani 1 1 d . U . . .
O13_4 O 0.7334(2) 0.3311(2) 0.7129(3) 0.114(3) Uani 1 1 d . U . . .
O14_4 O 0.7181(3) 0.3696(3) 0.6655(4) 0.147(4) Uani 1 1 d . U . . .
O15_4 O 0.6671(2) 0.3650(2) 0.7756(3) 0.110(3) Uani 1 1 d . U . . .
O16_4 O 0.6879(2) 0.3437(2) 0.7059(3) 0.110(3) Uani 1 1 d . U . . .
O17_4 O 0.6869(2) 0.32465(19) 0.8217(3) 0.101(3) Uani 1 1 d . U . . .
O18_4 O 0.7087(2) 0.3014(2) 0.7534(3) 0.101(3) Uani 1 1 d . U . . .
O19_4 O 0.65590(19) 0.29784(19) 0.8617(3) 0.095(3) Uani 1 1 d . U . . .
O20_4 O 0.67783(19) 0.28164(19) 0.7951(3) 0.096(2) Uani 1 1 d . U . . .
O21_4 O 0.6424(2) 0.3349(2) 0.8155(3) 0.103(3) Uani 1 1 d . U . . .
O22_4 O 0.6593(2) 0.3161(2) 0.7574(3) 0.105(2) Uani 1 1 d . U . . .
O23_4 O 0.6209(2) 0.3712(2) 0.7785(4) 0.120(3) Uani 1 1 d . U . . .
O24_4 O 0.6433(2) 0.3504(2) 0.7172(3) 0.117(3) Uani 1 1 d . U . . .
O25_4 O 0.6795(2) 0.2971(2) 0.6966(3) 0.107(3) Uani 1 1 d . U . . .
O26_4 O 0.6582(2) 0.3320(3) 0.6500(3) 0.132(4) Uani 1 1 d . U . . .
O27_4 O 0.6345(2) 0.3058(2) 0.6990(3) 0.116(3) Uani 1 1 d . U . . .
O28_4 O 0.6007(2) 0.2799(3) 0.7401(4) 0.129(4) Uani 1 1 d . U . . .
O29_4 O 0.6514(2) 0.2724(2) 0.7389(3) 0.110(3) Uani 1 1 d . U . . .
O30_4 O 0.6952(2) 0.2567(2) 0.7340(3) 0.111(3) Uani 1 1 d . U . . .
O31_4 O 0.63176(19) 0.29017(19) 0.7986(3) 0.099(2) Uani 1 1 d . U . . .
O32_4 O 0.6154(2) 0.3255(2) 0.7578(3) 0.110(3) Uani 1 1 d . U . . .
O10_4 O 0.7163(2) 0.3364(2) 0.8805(3) 0.107(3) Uani 1 1 d . U . . .
N1_5 N 0.7245(6) 0.4832(6) 0.5896(9) 0.58(4) Uiso 1 1 d D U . . .
O2_5 O 0.7361(7) 0.4714(7) 0.5680(11) 0.38(2) Uiso 1 1 d D U . . .
O4_5 O 0.7102(8) 0.4975(8) 0.5781(15) 0.48(3) Uiso 1 1 d D U . . .
O3_5 O 0.7270(15) 0.4803(14) 0.6231(9) 0.87(6) Uiso 1 1 d D U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
N13 C14 1.3900 . ?
N13 C18 1.3900 . ?
N13 Pd3_3 1.977(15) . ?
C14 C15 1.3900 . ?
C14 H14 0.9500 . ?
C15 C16 1.3900 . ?
C15 H15 0.9500 . ?
C16 C17 1.3900 . ?
C16 C9_1 1.49(3) . ?
C17 C18 1.3900 . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
N1_1 C2_1 1.3900 . ?
N1_1 C6_1 1.3900 . ?
N1_1 Pd4_3 2.061(12) . ?
C2_1 C3_1 1.3900 . ?
C2_1 H2_1 0.9500 . ?
C3_1 C4_1 1.3900 . ?
C3_1 H3_1 0.9500 . ?
C4_1 C5_1 1.3900 . ?
C4_1 C7_1 1.44(3) . ?
C5_1 C6_1 1.3900 . ?
C5_1 H5_1 0.9500 . ?
C6_1 H6_1 0.9500 . ?
C7_1 N8_1 1.29(3) . ?
C7_1 N12_1 1.33(3) . ?
N8_1 C9_1 1.44(3) . ?
C9_1 N10_1 1.30(3) . ?
N10_1 C11_1 1.22(3) . ?
N12_1 C11_1 1.46(3) . ?
C11_1 C22_1 1.49(4) . ?
N19_1 C24_1 1.21(3) . ?
N19_1 C20_1 1.30(3) . ?
N19_1 C25_1 1.53(3) . ?
C20_1 C21_1 1.46(3) . ?
C20_1 H20_1 0.9500 . ?
C21_1 C22_1 1.36(3) . ?
C21_1 H21_1 0.9500 . ?
C22_1 C23_1 1.30(3) . ?
C23_1 C24_1 1.44(3) . ?
C23_1 H23_1 0.9500 . ?
C24_1 H24_1 0.9500 . ?
C25_1 C26_1 1.55(3) . ?
C25_1 H25A_1 0.9900 . ?
C25_1 H25B_1 0.9900 . ?
C26_1 C27_1 1.3900 . ?
C26_1 C31_1 1.3900 . ?
C27_1 C28_1 1.3900 . ?
C27_1 H27_1 0.9500 . ?
C28_1 C29_1 1.3900 . ?
C28_1 H28_1 0.9500 . ?
C29_1 C30_1 1.3900 . ?
C29_1 C32_1 1.51(3) . ?
C30_1 C31_1 1.3900 . ?
C30_1 H30_1 0.9500 . ?
C31_1 H31_1 0.9500 . ?
C32_1 N33_1 1.47(3) . ?
C32_1 H32A_1 0.9900 . ?
C32_1 H32B_1 0.9900 . ?
N33_1 C34_1 1.29(3) . ?
N33_1 C38_1 1.40(3) . ?
C34_1 C35_1 1.36(3) . ?
C34_1 H34_1 0.9500 . ?
C35_1 C36_1 1.36(3) . ?
C35_1 H35_1 0.9500 . ?
C36_1 C37_1 1.49(3) . ?
C36_1 C39_1 1.505(16) . ?
C37_1 C38_1 1.42(3) . ?
C37_1 H37_1 0.9500 . ?
C38_1 H38_1 0.9500 . ?
C39_1 N40_1 1.31(2) . ?
C39_1 N44_1 1.34(2) . ?
N40_1 C41_1 1.28(2) . ?
C41_1 N42_1 1.35(2) . ?
C41_1 C54_1 1.46(3) . ?
N42_1 C43_1 1.36(2) . ?
C43_1 N44_1 1.36(2) . ?
C43_1 C48_1 1.510(16) . ?
N45_1 C46_1 1.33(3) . ?
N45_1 C50_1 1.42(3) . ?
N45_1 Pd4_3 2.049(18) . ?
C46_1 C47_1 1.31(3) . ?
C46_1 H46_1 0.9500 . ?
C47_1 C48_1 1.32(3) . ?
C47_1 H47_1 0.9500 . ?
C48_1 C49_1 1.35(3) . ?
C49_1 C50_1 1.46(3) . ?
C49_1 H49_1 0.9500 . ?
C50_1 H50_1 0.9500 . ?
N51_1 C56_1 1.37(2) . ?
N51_1 C52_1 1.37(2) . ?
N51_1 Pd1_3 2.022(16) . ?
C52_1 C53_1 1.33(2) . ?
C52_1 H52_1 0.9500 . ?
C53_1 C54_1 1.39(2) . ?
C53_1 H53_1 0.9500 . ?
C54_1 C55_1 1.35(2) . ?
C55_1 C56_1 1.41(3) . ?
C55_1 H55_1 0.9500 . ?
C56_1 H56_1 0.9500 . ?
N1_2 C2_2 1.3900 . ?
N1_2 C6_2 1.3900 . ?
N1_2 Pd3_3 2.036(10) . ?
C2_2 C3_2 1.3900 . ?
C2_2 H2_2 0.9500 . ?
C3_2 C4_2 1.3900 . ?
C3_2 H3_2 0.9500 . ?
C4_2 C5_2 1.3900 . ?
C4_2 C23_2 1.47(2) . ?
C5_2 C6_2 1.3900 . ?
C5_2 H5_2 0.9500 . ?
C6_2 H6_2 0.9500 . ?
N13_2 C14_2 1.3900 . ?
N13_2 C18_2 1.3900 . ?
N13_2 Pd2_3 2.017(8) . ?
C14_2 C15_2 1.3900 . ?
C14_2 H14_2 0.9500 . ?
C15_2 C16_2 1.3900 . ?
C15_2 H15_2 0.9500 . ?
C16_2 C17_2 1.3900 . ?
C16_2 C19_2 1.515(15) . ?
C17_2 C18_2 1.3900 . ?
C17_2 H17_2 0.9500 . ?
C18_2 H18_2 0.9500 . ?
C19_2 N20_2 1.33(2) . ?
C19_2 N24_2 1.35(2) . ?
N20_2 C21_2 1.34(2) . ?
C21_2 N22_2 1.26(2) . ?
C21_2 C28_2 1.52(3) . ?
N22_2 C23_2 1.30(2) . ?
C23_2 N24_2 1.34(2) . ?
N25_2 C30_2 1.34(2) . ?
N25_2 C26_2 1.37(2) . ?
N25_2 C31_2 1.40(2) . ?
C26_2 C27_2 1.30(2) . ?
C26_2 H26_2 0.9500 . ?
C27_2 C28_2 1.37(2) . ?
C27_2 H27_2 0.9500 . ?
C28_2 C29_2 1.32(2) . ?
C29_2 C30_2 1.38(2) . ?
C29_2 H29_2 0.9500 . ?
C30_2 H30_2 0.9500 . ?
C31_2 C32_2 1.44(2) . ?
C31_2 H31A_2 0.9900 . ?
C31_2 H31B_2 0.9900 . ?
C32_2 C33_2 1.3900 . ?
C32_2 C37_2 1.3900 . ?
C33_2 C34_2 1.3900 . ?
C33_2 H33_2 0.9500 . ?
C34_2 C35_2 1.3900 . ?
C34_2 H34_2 0.9500 . ?
C35_2 C36_2 1.3900 . ?
C35_2 C38_2 1.52(2) . ?
C36_2 C37_2 1.3900 . ?
C36_2 H36_2 0.9500 . ?
C37_2 H37_2 0.9500 . ?
C38_2 N39_2 1.50(2) . ?
C38_2 H38A_2 0.9900 . ?
C38_2 H38B_2 0.9900 . ?
N39_2 C44_2 1.37(2) . ?
N39_2 C40_2 1.47(2) . ?
C40_2 C41_2 1.40(3) . ?
C40_2 H40_2 0.9500 . ?
C41_2 C42_2 1.37(3) . ?
C41_2 H41_2 0.9500 . ?
C42_2 C43_2 1.44(2) . ?
C42_2 C45_2 1.48(3) . ?
C43_2 C44_2 1.36(2) . ?
C43_2 H43_2 0.9500 . ?
C44_2 H44_2 0.9500 . ?
C45_2 N46_2 1.30(2) . ?
C45_2 N50_2 1.32(2) . ?
N46_2 C47_2 1.42(2) . ?
C47_2 N48_2 1.27(2) . ?
C47_2 C54_2 1.51(2) . ?
N48_2 C49_2 1.40(2) . ?
C49_2 N50_2 1.28(2) . ?
C49_2 C60_2 1.51(2) . ?
N51_2 C52_2 1.37(2) . ?
N51_2 C56_2 1.42(2) . ?
N51_2 Pd2_3 2.011(14) . ?
C52_2 C53_2 1.32(2) . ?
C52_2 H52_2 0.9500 . ?
C53_2 C54_2 1.39(2) . ?
C53_2 H53_2 0.9500 . ?
C54_2 C55_2 1.41(2) . ?
C55_2 C56_2 1.44(2) . ?
C55_2 H55_2 0.9500 . ?
C56_2 H56_2 0.9500 . ?
N57_2 C58_2 1.3900 . ?
N57_2 C62_2 1.3900 . ?
N57_2 Pd1_3 2.024(8) . ?
C58_2 C59_2 1.3900 . ?
C58_2 H58_2 0.9500 . ?
C59_2 C60_2 1.3900 . ?
C59_2 H59_2 0.9500 . ?
C60_2 C61_2 1.3900 . ?
C61_2 C62_2 1.3900 . ?
C61_2 H61_2 0.9500 . ?
C62_2 H62_2 0.9500 . ?
N1_3 C2_3 1.416(16) . ?
N1_3 C3_3 1.46(2) . ?
N1_3 C4_3 1.67(3) . ?
N1_3 Pd1_3 2.073(16) . ?
Pd1_3 N6_3 2.056(16) . ?
C2_3 H2A_3 0.9800 . ?
C2_3 H2B_3 0.9800 . ?
C2_3 H2C_3 0.9800 . ?
Pd2_3 N22_3 1.978(15) . ?
Pd2_3 N17_3 2.048(16) . ?
C3_3 H3A_3 0.9800 . ?
C3_3 H3AB_3 0.9800 . ?
C3_3 H3AC_3 0.9800 . ?
Pd3_3 N30_3 2.00(2) . ?
Pd3_3 N25_3 2.08(2) . ?
C4_3 C5_3 1.41(3) . ?
C4_3 H4A_3 0.9900 . ?
C4_3 H4AB_3 0.9900 . ?
Pd4_3 N9_3 2.02(2) . ?
Pd4_3 N14_3 2.03(2) . ?
C5_3 N6_3 1.55(3) . ?
C5_3 H5A_3 0.9900 . ?
C5_3 H5AB_3 0.9900 . ?
N6_3 C7_3 1.428(16) . ?
N6_3 C8_3 1.52(3) . ?
C7_3 H7A_3 0.9800 . ?
C7_3 H7B_3 0.9800 . ?
C7_3 H7C_3 0.9800 . ?
C8_3 H8A_3 0.9800 . ?
C8_3 H8AB_3 0.9800 . ?
C8_3 H8AC_3 0.9800 . ?
N9_3 C12_3 1.434(17) . ?
N9_3 C11_3 1.49(2) . ?
N9_3 C10_3 1.49(2) . ?
C10_3 H10A_3 0.9800 . ?
C10_3 H10B_3 0.9800 . ?
C10_3 H10C_3 0.9800 . ?
C11_3 H11A_3 0.9800 . ?
C11_3 H11B_3 0.9800 . ?
C11_3 H11C_3 0.9800 . ?
C12_3 C13_3 1.42(4) . ?
C12_3 H12A_3 0.9900 . ?
C12_3 H12B_3 0.9900 . ?
C13_3 N14_3 1.44(4) . ?
C13_3 H13A_3 0.9900 . ?
C13_3 H13B_3 0.9900 . ?
N14_3 C16_3 1.431(18) . ?
N14_3 C15_3 1.45(3) . ?
C15_3 H15A_3 0.9800 . ?
C15_3 H15B_3 0.9800 . ?
C15_3 H15C_3 0.9800 . ?
C16_3 H16A_3 0.9800 . ?
C16_3 H16B_3 0.9800 . ?
C16_3 H16C_3 0.9800 . ?
N17_3 C20_3 1.443(17) . ?
N17_3 C19_3 1.48(2) . ?
N17_3 C18_3 1.57(2) . ?
C18_3 H18A_3 0.9800 . ?
C18_3 H18B_3 0.9800 . ?
C18_3 H18C_3 0.9800 . ?
C19_3 H19A_3 0.9800 . ?
C19_3 H19B_3 0.9800 . ?
C19_3 H19C_3 0.9800 . ?
C20_3 C21_3 1.42(2) . ?
C20_3 H20A_3 0.9900 . ?
C20_3 H20B_3 0.9900 . ?
C21_3 N22_3 1.452(18) . ?
C21_3 H21A_3 0.9900 . ?
C21_3 H21B_3 0.9900 . ?
N22_3 C23_3 1.535(17) . ?
N22_3 C24_3 1.544(18) . ?
C23_3 H23A_3 0.9800 . ?
C23_3 H23B_3 0.9800 . ?
C23_3 H23C_3 0.9800 . ?
C24_3 H24A_3 0.9800 . ?
C24_3 H24B_3 0.9800 . ?
C24_3 H24C_3 0.9800 . ?
N25_3 C28_3 1.44(2) . ?
N25_3 C27_3 1.47(3) . ?
N25_3 C26_3 1.58(3) . ?
C26_3 H26A_3 0.9800 . ?
C26_3 H26B_3 0.9800 . ?
C26_3 H26C_3 0.9800 . ?
C27_3 H27A_3 0.9800 . ?
C27_3 H27B_3 0.9800 . ?
C27_3 H27C_3 0.9800 . ?
C28_3 C29_3 1.468(17) . ?
C28_3 H28A_3 0.9900 . ?
C28_3 H28B_3 0.9900 . ?
C29_3 N30_3 1.45(2) . ?
C29_3 H29A_3 0.9900 . ?
C29_3 H29B_3 0.9900 . ?
N30_3 C32_3 1.553(19) . ?
N30_3 C31_3 1.557(19) . ?
C31_3 H31A_3 0.9800 . ?
C31_3 H31B_3 0.9800 . ?
C31_3 H31C_3 0.9800 . ?
C32_3 H32A_3 0.9800 . ?
C32_3 H32B_3 0.9800 . ?
C32_3 H32C_3 0.9800 . ?
W1_4 O1_4 1.751(14) . ?
W1_4 O2_4 1.883(14) . ?
W1_4 O5_4 1.910(13) . ?
W1_4 O3_4 1.928(12) . ?
W1_4 O4_4 1.940(14) . ?
W1_4 O9_4 2.244(12) . ?
W2_4 O6_4 1.733(14) . ?
W2_4 O15_4 1.879(12) . ?
W2_4 O8_4 1.898(12) . ?
W2_4 O7_4 1.907(13) . ?
W2_4 O2_4 1.979(13) . ?
W2_4 O9_4 2.320(13) . ?
W3_4 O14_4 1.746(14) . ?
W3_4 O16_4 1.884(12) . ?
W3_4 O5_4 1.939(13) . ?
W3_4 O13_4 1.943(14) . ?
W3_4 O7_4 1.986(14) . ?
W3_4 O9_4 2.319(11) . ?
O3_4 W5_4 1.951(12) . ?
W4_4 O12_4 1.662(13) . ?
W4_4 O4_4 1.900(13) . ?
W4_4 O18_4 1.912(11) . ?
W4_4 O13_4 1.921(13) . ?
W4_4 O11_4 1.952(11) . ?
W4_4 O9_4 2.342(13) . ?
W5_4 O10_4 1.724(12) . ?
W5_4 O17_4 1.897(11) . ?
W5_4 O11_4 1.902(11) . ?
W5_4 O8_4 1.938(12) . ?
W5_4 O9_4 2.310(11) . ?
W6_4 O23_4 1.691(13) . ?
W6_4 O21_4 1.897(12) . ?
W6_4 O24_4 1.900(12) . ?
W6_4 O15_4 1.918(12) . ?
W6_4 O32_4 1.932(12) . ?
W6_4 O22_4 2.268(12) . ?
W7_4 O26_4 1.693(13) . ?
W7_4 O16_4 1.913(12) . ?
W7_4 O27_4 1.919(12) . ?
W7_4 O24_4 1.934(13) . ?
W7_4 O25_4 1.968(13) . ?
W7_4 O22_4 2.339(11) . ?
W8_4 O19_4 1.681(11) . ?
W8_4 O17_4 1.915(11) . ?
W8_4 O21_4 1.931(11) . ?
W8_4 O20_4 1.955(11) . ?
W8_4 O31_4 1.977(11) . ?
W8_4 O22_4 2.284(11) . ?
W9_4 O30_4 1.724(12) . ?
W9_4 O18_4 1.894(11) . ?
W9_4 O29_4 1.896(12) . ?
W9_4 O20_4 1.901(11) . ?
W9_4 O25_4 1.903(13) . ?
W9_4 O22_4 2.384(12) . ?
W10_4 O28_4 1.736(13) . ?
W10_4 O27_4 1.909(13) . ?
W10_4 O32_4 1.937(12) . ?
W10_4 O31_4 1.939(12) . ?
W10_4 O29_4 1.951(13) . ?
W10_4 O22_4 2.298(12) . ?
N1_5 O2_5 1.237(15) . ?
N1_5 O4_5 1.241(15) . ?
N1_5 O3_5 1.242(15) . ?

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
C14 N13 C18 120.0 . . ?
C14 N13 Pd3_3 123.8(14) . . ?
C18 N13 Pd3_3 115.5(14) . . ?
N13 C14 C15 120.0 . . ?
N13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C16 C15 C14 120.0 . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C16 C17 120.0 . . ?
C15 C16 C9_1 117(2) . . ?
C17 C16 C9_1 123(2) . . ?
C18 C17 C16 120.0 . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C18 N13 120.0 . . ?
C17 C18 H18 120.0 . . ?
N13 C18 H18 120.0 . . ?
C2_1 N1_1 C6_1 120.0 . . ?
C2_1 N1_1 Pd4_3 122.8(10) . . ?
C6_1 N1_1 Pd4_3 115.7(11) . . ?
N1_1 C2_1 C3_1 120.0 . . ?
N1_1 C2_1 H2_1 120.0 . . ?
C3_1 C2_1 H2_1 120.0 . . ?
C2_1 C3_1 C4_1 120.0 . . ?
C2_1 C3_1 H3_1 120.0 . . ?
C4_1 C3_1 H3_1 120.0 . . ?
C5_1 C4_1 C3_1 120.0 . . ?
C5_1 C4_1 C7_1 127.0(19) . . ?
C3_1 C4_1 C7_1 113.0(19) . . ?
C6_1 C5_1 C4_1 120.0 . . ?
C6_1 C5_1 H5_1 120.0 . . ?
C4_1 C5_1 H5_1 120.0 . . ?
C5_1 C6_1 N1_1 120.0 . . ?
C5_1 C6_1 H6_1 120.0 . . ?
N1_1 C6_1 H6_1 120.0 . . ?
N8_1 C7_1 N12_1 122(3) . . ?
N8_1 C7_1 C4_1 122(3) . . ?
N12_1 C7_1 C4_1 114(3) . . ?
C7_1 N8_1 C9_1 118(3) . . ?
N10_1 C9_1 N8_1 119(3) . . ?
N10_1 C9_1 C16 122(3) . . ?
N8_1 C9_1 C16 119(3) . . ?
C11_1 N10_1 C9_1 122(3) . . ?
C7_1 N12_1 C11_1 114(3) . . ?
N10_1 C11_1 N12_1 122(3) . . ?
N10_1 C11_1 C22_1 128(3) . . ?
N12_1 C11_1 C22_1 110(3) . . ?
C24_1 N19_1 C20_1 123(3) . . ?
C24_1 N19_1 C25_1 118(3) . . ?
C20_1 N19_1 C25_1 119(3) . . ?
N19_1 C20_1 C21_1 117(3) . . ?
N19_1 C20_1 H20_1 121.3 . . ?
C21_1 C20_1 H20_1 121.3 . . ?
C22_1 C21_1 C20_1 119(3) . . ?
C22_1 C21_1 H21_1 120.5 . . ?
C20_1 C21_1 H21_1 120.5 . . ?
C23_1 C22_1 C21_1 119(3) . . ?
C23_1 C22_1 C11_1 115(3) . . ?
C21_1 C22_1 C11_1 126(3) . . ?
C22_1 C23_1 C24_1 118(3) . . ?
C22_1 C23_1 H23_1 121.0 . . ?
C24_1 C23_1 H23_1 121.0 . . ?
N19_1 C24_1 C23_1 123(3) . . ?
N19_1 C24_1 H24_1 118.6 . . ?
C23_1 C24_1 H24_1 118.6 . . ?
N19_1 C25_1 C26_1 108.8(19) . . ?
N19_1 C25_1 H25A_1 109.9 . . ?
C26_1 C25_1 H25A_1 109.9 . . ?
N19_1 C25_1 H25B_1 109.9 . . ?
C26_1 C25_1 H25B_1 109.9 . . ?
H25A_1 C25_1 H25B_1 108.3 . . ?
C27_1 C26_1 C31_1 120.0 . . ?
C27_1 C26_1 C25_1 124.8(17) . . ?
C31_1 C26_1 C25_1 115.2(17) . . ?
C26_1 C27_1 C28_1 120.0 . . ?
C26_1 C27_1 H27_1 120.0 . . ?
C28_1 C27_1 H27_1 120.0 . . ?
C29_1 C28_1 C27_1 120.0 . . ?
C29_1 C28_1 H28_1 120.0 . . ?
C27_1 C28_1 H28_1 120.0 . . ?
C28_1 C29_1 C30_1 120.0 . . ?
C28_1 C29_1 C32_1 121.1(15) . . ?
C30_1 C29_1 C32_1 118.8(15) . . ?
C31_1 C30_1 C29_1 120.0 . . ?
C31_1 C30_1 H30_1 120.0 . . ?
C29_1 C30_1 H30_1 120.0 . . ?
C30_1 C31_1 C26_1 120.0 . . ?
C30_1 C31_1 H31_1 120.0 . . ?
C26_1 C31_1 H31_1 120.0 . . ?
N33_1 C32_1 C29_1 110.4(19) . . ?
N33_1 C32_1 H32A_1 109.6 . . ?
C29_1 C32_1 H32A_1 109.6 . . ?
N33_1 C32_1 H32B_1 109.6 . . ?
C29_1 C32_1 H32B_1 109.6 . . ?
H32A_1 C32_1 H32B_1 108.1 . . ?
C34_1 N33_1 C38_1 122(2) . . ?
C34_1 N33_1 C32_1 123(2) . . ?
C38_1 N33_1 C32_1 113(2) . . ?
N33_1 C34_1 C35_1 127(2) . . ?
N33_1 C34_1 H34_1 116.4 . . ?
C35_1 C34_1 H34_1 116.4 . . ?
C36_1 C35_1 C34_1 114(2) . . ?
C36_1 C35_1 H35_1 122.8 . . ?
C34_1 C35_1 H35_1 122.8 . . ?
C35_1 C36_1 C37_1 122.5(18) . . ?
C35_1 C36_1 C39_1 120.7(19) . . ?
C37_1 C36_1 C39_1 116.8(19) . . ?
C38_1 C37_1 C36_1 116(2) . . ?
C38_1 C37_1 H37_1 121.8 . . ?
C36_1 C37_1 H37_1 121.8 . . ?
N33_1 C38_1 C37_1 117(2) . . ?
N33_1 C38_1 H38_1 121.6 . . ?
C37_1 C38_1 H38_1 121.6 . . ?
N40_1 C39_1 N44_1 129.0(17) . . ?
N40_1 C39_1 C36_1 115.7(19) . . ?
N44_1 C39_1 C36_1 115.3(19) . . ?
C41_1 N40_1 C39_1 114.1(18) . . ?
N40_1 C41_1 N42_1 126(2) . . ?
N40_1 C41_1 C54_1 117.9(19) . . ?
N42_1 C41_1 C54_1 115.8(18) . . ?
C41_1 N42_1 C43_1 114.6(17) . . ?
N44_1 C43_1 N42_1 123.8(16) . . ?
N44_1 C43_1 C48_1 116.4(18) . . ?
N42_1 C43_1 C48_1 119.7(17) . . ?
C39_1 N44_1 C43_1 111.8(16) . . ?
C46_1 N45_1 C50_1 119.6(19) . . ?
C46_1 N45_1 Pd4_3 124.2(17) . . ?
C50_1 N45_1 Pd4_3 114.2(16) . . ?
C47_1 C46_1 N45_1 122(2) . . ?
C47_1 C46_1 H46_1 119.2 . . ?
N45_1 C46_1 H46_1 119.2 . . ?
C46_1 C47_1 C48_1 125(2) . . ?
C46_1 C47_1 H47_1 117.4 . . ?
C48_1 C47_1 H47_1 117.4 . . ?
C47_1 C48_1 C49_1 116.9(19) . . ?
C47_1 C48_1 C43_1 123(2) . . ?
C49_1 C48_1 C43_1 119.4(18) . . ?
C48_1 C49_1 C50_1 121.5(19) . . ?
C48_1 C49_1 H49_1 119.3 . . ?
C50_1 C49_1 H49_1 119.3 . . ?
N45_1 C50_1 C49_1 115(2) . . ?
N45_1 C50_1 H50_1 122.7 . . ?
C49_1 C50_1 H50_1 122.7 . . ?
C56_1 N51_1 C52_1 115.7(17) . . ?
C56_1 N51_1 Pd1_3 120.1(13) . . ?
C52_1 N51_1 Pd1_3 124.0(12) . . ?
C53_1 C52_1 N51_1 123.7(18) . . ?
C53_1 C52_1 H52_1 118.1 . . ?
N51_1 C52_1 H52_1 118.1 . . ?
C52_1 C53_1 C54_1 119.5(19) . . ?
C52_1 C53_1 H53_1 120.3 . . ?
C54_1 C53_1 H53_1 120.3 . . ?
C55_1 C54_1 C53_1 121(2) . . ?
C55_1 C54_1 C41_1 117.3(19) . . ?
C53_1 C54_1 C41_1 122.1(18) . . ?
C54_1 C55_1 C56_1 117(2) . . ?
C54_1 C55_1 H55_1 121.3 . . ?
C56_1 C55_1 H55_1 121.3 . . ?
N51_1 C56_1 C55_1 122.8(18) . . ?
N51_1 C56_1 H56_1 118.6 . . ?
C55_1 C56_1 H56_1 118.6 . . ?
C2_2 N1_2 C6_2 120.0 . . ?
C2_2 N1_2 Pd3_3 120.6(10) . . ?
C6_2 N1_2 Pd3_3 119.3(10) . . ?
C3_2 C2_2 N1_2 120.0 . . ?
C3_2 C2_2 H2_2 120.0 . . ?
N1_2 C2_2 H2_2 120.0 . . ?
C2_2 C3_2 C4_2 120.0 . . ?
C2_2 C3_2 H3_2 120.0 . . ?
C4_2 C3_2 H3_2 120.0 . . ?
C5_2 C4_2 C3_2 120.0 . . ?
C5_2 C4_2 C23_2 117.9(14) . . ?
C3_2 C4_2 C23_2 121.9(14) . . ?
C4_2 C5_2 C6_2 120.0 . . ?
C4_2 C5_2 H5_2 120.0 . . ?
C6_2 C5_2 H5_2 120.0 . . ?
C5_2 C6_2 N1_2 120.0 . . ?
C5_2 C6_2 H6_2 120.0 . . ?
N1_2 C6_2 H6_2 120.0 . . ?
C14_2 N13_2 C18_2 120.0 . . ?
C14_2 N13_2 Pd2_3 119.7(7) . . ?
C18_2 N13_2 Pd2_3 118.8(7) . . ?
N13_2 C14_2 C15_2 120.0 . . ?
N13_2 C14_2 H14_2 120.0 . . ?
C15_2 C14_2 H14_2 120.0 . . ?
C16_2 C15_2 C14_2 120.0 . . ?
C16_2 C15_2 H15_2 120.0 . . ?
C14_2 C15_2 H15_2 120.0 . . ?
C17_2 C16_2 C15_2 120.0 . . ?
C17_2 C16_2 C19_2 118.5(11) . . ?
C15_2 C16_2 C19_2 121.5(11) . . ?
C16_2 C17_2 C18_2 120.0 . . ?
C16_2 C17_2 H17_2 120.0 . . ?
C18_2 C17_2 H17_2 120.0 . . ?
C17_2 C18_2 N13_2 120.0 . . ?
C17_2 C18_2 H18_2 120.0 . . ?
N13_2 C18_2 H18_2 120.0 . . ?
N20_2 C19_2 N24_2 121.0(15) . . ?
N20_2 C19_2 C16_2 119.5(16) . . ?
N24_2 C19_2 C16_2 119.3(16) . . ?
C19_2 N20_2 C21_2 115.7(17) . . ?
N22_2 C21_2 N20_2 127(2) . . ?
N22_2 C21_2 C28_2 119.7(19) . . ?
N20_2 C21_2 C28_2 113.6(18) . . ?
C21_2 N22_2 C23_2 115(2) . . ?
N22_2 C23_2 N24_2 125(2) . . ?
N22_2 C23_2 C4_2 120.6(19) . . ?
N24_2 C23_2 C4_2 114.0(18) . . ?
C23_2 N24_2 C19_2 115.7(17) . . ?
C30_2 N25_2 C26_2 116.0(18) . . ?
C30_2 N25_2 C31_2 119.4(18) . . ?
C26_2 N25_2 C31_2 124.5(18) . . ?
C27_2 C26_2 N25_2 126(2) . . ?
C27_2 C26_2 H26_2 116.9 . . ?
N25_2 C26_2 H26_2 116.9 . . ?
C26_2 C27_2 C28_2 117(2) . . ?
C26_2 C27_2 H27_2 121.5 . . ?
C28_2 C27_2 H27_2 121.5 . . ?
C29_2 C28_2 C27_2 119(2) . . ?
C29_2 C28_2 C21_2 122.8(19) . . ?
C27_2 C28_2 C21_2 118.0(18) . . ?
C28_2 C29_2 C30_2 122(2) . . ?
C28_2 C29_2 H29_2 118.8 . . ?
C30_2 C29_2 H29_2 118.8 . . ?
N25_2 C30_2 C29_2 119(2) . . ?
N25_2 C30_2 H30_2 120.7 . . ?
C29_2 C30_2 H30_2 120.7 . . ?
N25_2 C31_2 C32_2 115.5(18) . . ?
N25_2 C31_2 H31A_2 108.4 . . ?
C32_2 C31_2 H31A_2 108.4 . . ?
N25_2 C31_2 H31B_2 108.4 . . ?
C32_2 C31_2 H31B_2 108.4 . . ?
H31A_2 C31_2 H31B_2 107.5 . . ?
C33_2 C32_2 C37_2 120.0 . . ?
C33_2 C32_2 C31_2 125.2(14) . . ?
C37_2 C32_2 C31_2 114.5(13) . . ?
C32_2 C33_2 C34_2 120.0 . . ?
C32_2 C33_2 H33_2 120.0 . . ?
C34_2 C33_2 H33_2 120.0 . . ?
C33_2 C34_2 C35_2 120.0 . . ?
C33_2 C34_2 H34_2 120.0 . . ?
C35_2 C34_2 H34_2 120.0 . . ?
C36_2 C35_2 C34_2 120.0 . . ?
C36_2 C35_2 C38_2 121.2(11) . . ?
C34_2 C35_2 C38_2 118.3(11) . . ?
C35_2 C36_2 C37_2 120.0 . . ?
C35_2 C36_2 H36_2 120.0 . . ?
C37_2 C36_2 H36_2 120.0 . . ?
C36_2 C37_2 C32_2 120.0 . . ?
C36_2 C37_2 H37_2 120.0 . . ?
C32_2 C37_2 H37_2 120.0 . . ?
N39_2 C38_2 C35_2 110.4(14) . . ?
N39_2 C38_2 H38A_2 109.6 . . ?
C35_2 C38_2 H38A_2 109.6 . . ?
N39_2 C38_2 H38B_2 109.6 . . ?
C35_2 C38_2 H38B_2 109.6 . . ?
H38A_2 C38_2 H38B_2 108.1 . . ?
C44_2 N39_2 C40_2 121.1(17) . . ?
C44_2 N39_2 C38_2 122.6(17) . . ?
C40_2 N39_2 C38_2 116.1(17) . . ?
C41_2 C40_2 N39_2 116.7(19) . . ?
C41_2 C40_2 H40_2 121.7 . . ?
N39_2 C40_2 H40_2 121.7 . . ?
C42_2 C41_2 C40_2 121(2) . . ?
C42_2 C41_2 H41_2 119.4 . . ?
C40_2 C41_2 H41_2 119.4 . . ?
C41_2 C42_2 C43_2 120.2(18) . . ?
C41_2 C42_2 C45_2 120.5(18) . . ?
C43_2 C42_2 C45_2 118.9(18) . . ?
C44_2 C43_2 C42_2 120.0(19) . . ?
C44_2 C43_2 H43_2 120.0 . . ?
C42_2 C43_2 H43_2 120.0 . . ?
C43_2 C44_2 N39_2 120.3(19) . . ?
C43_2 C44_2 H44_2 119.9 . . ?
N39_2 C44_2 H44_2 119.9 . . ?
N46_2 C45_2 N50_2 128.5(18) . . ?
N46_2 C45_2 C42_2 114.5(18) . . ?
N50_2 C45_2 C42_2 116.9(17) . . ?
C45_2 N46_2 C47_2 110.6(16) . . ?
N48_2 C47_2 N46_2 127.9(17) . . ?
N48_2 C47_2 C54_2 117.5(17) . . ?
N46_2 C47_2 C54_2 114.6(17) . . ?
C47_2 N48_2 C49_2 111.0(16) . . ?
N50_2 C49_2 N48_2 128.1(17) . . ?
N50_2 C49_2 C60_2 117.7(16) . . ?
N48_2 C49_2 C60_2 113.6(15) . . ?
C49_2 N50_2 C45_2 113.4(16) . . ?
C52_2 N51_2 C56_2 118.3(17) . . ?
C52_2 N51_2 Pd2_3 124.7(14) . . ?
C56_2 N51_2 Pd2_3 115.1(13) . . ?
C53_2 C52_2 N51_2 125(2) . . ?
C53_2 C52_2 H52_2 117.7 . . ?
N51_2 C52_2 H52_2 117.7 . . ?
C52_2 C53_2 C54_2 120.7(19) . . ?
C52_2 C53_2 H53_2 119.7 . . ?
C54_2 C53_2 H53_2 119.7 . . ?
C53_2 C54_2 C55_2 118.1(17) . . ?
C53_2 C54_2 C47_2 121.7(18) . . ?
C55_2 C54_2 C47_2 120.2(17) . . ?
C54_2 C55_2 C56_2 120.8(18) . . ?
C54_2 C55_2 H55_2 119.6 . . ?
C56_2 C55_2 H55_2 119.6 . . ?
N51_2 C56_2 C55_2 117(2) . . ?
N51_2 C56_2 H56_2 121.6 . . ?
C55_2 C56_2 H56_2 121.6 . . ?
C58_2 N57_2 C62_2 120.0 . . ?
C58_2 N57_2 Pd1_3 116.3(6) . . ?
C62_2 N57_2 Pd1_3 123.6(6) . . ?
N57_2 C58_2 C59_2 120.0 . . ?
N57_2 C58_2 H58_2 120.0 . . ?
C59_2 C58_2 H58_2 120.0 . . ?
C58_2 C59_2 C60_2 120.0 . . ?
C58_2 C59_2 H59_2 120.0 . . ?
C60_2 C59_2 H59_2 120.0 . . ?
C59_2 C60_2 C61_2 120.0 . . ?
C59_2 C60_2 C49_2 116.0(11) . . ?
C61_2 C60_2 C49_2 123.9(11) . . ?
C62_2 C61_2 C60_2 120.0 . . ?
C62_2 C61_2 H61_2 120.0 . . ?
C60_2 C61_2 H61_2 120.0 . . ?
C61_2 C62_2 N57_2 120.0 . . ?
C61_2 C62_2 H62_2 120.0 . . ?
N57_2 C62_2 H62_2 120.0 . . ?
C2_3 N1_3 C3_3 102.3(19) . . ?
C2_3 N1_3 C4_3 106.5(18) . . ?
C3_3 N1_3 C4_3 109.5(17) . . ?
C2_3 N1_3 Pd1_3 124.0(15) . . ?
C3_3 N1_3 Pd1_3 111.8(14) . . ?
C4_3 N1_3 Pd1_3 102.2(12) . . ?
N51_1 Pd1_3 N57_2 84.6(5) . . ?
N51_1 Pd1_3 N6_3 95.4(7) . . ?
N57_2 Pd1_3 N6_3 177.5(6) . . ?
N51_1 Pd1_3 N1_3 177.7(6) . . ?
N57_2 Pd1_3 N1_3 93.0(6) . . ?
N6_3 Pd1_3 N1_3 86.9(7) . . ?
N1_3 C2_3 H2A_3 109.5 . . ?
N1_3 C2_3 H2B_3 109.5 . . ?
H2A_3 C2_3 H2B_3 109.5 . . ?
N1_3 C2_3 H2C_3 109.5 . . ?
H2A_3 C2_3 H2C_3 109.5 . . ?
H2B_3 C2_3 H2C_3 109.5 . . ?
N22_3 Pd2_3 N51_2 178.0(8) . . ?
N22_3 Pd2_3 N13_2 95.2(6) . . ?
N51_2 Pd2_3 N13_2 84.6(6) . . ?
N22_3 Pd2_3 N17_3 84.6(7) . . ?
N51_2 Pd2_3 N17_3 95.5(6) . . ?
N13_2 Pd2_3 N17_3 178.6(7) . . ?
N1_3 C3_3 H3A_3 109.5 . . ?
N1_3 C3_3 H3AB_3 109.5 . . ?
H3A_3 C3_3 H3AB_3 109.5 . . ?
N1_3 C3_3 H3AC_3 109.5 . . ?
H3A_3 C3_3 H3AC_3 109.5 . . ?
H3AB_3 C3_3 H3AC_3 109.5 . . ?
N13 Pd3_3 N30_3 177.8(9) . . ?
N13 Pd3_3 N1_2 86.2(6) . . ?
N30_3 Pd3_3 N1_2 94.9(7) . . ?
N13 Pd3_3 N25_3 94.3(9) . . ?
N30_3 Pd3_3 N25_3 84.5(9) . . ?
N1_2 Pd3_3 N25_3 179.3(9) . . ?
C5_3 C4_3 N1_3 112(2) . . ?
C5_3 C4_3 H4A_3 109.1 . . ?
N1_3 C4_3 H4A_3 109.1 . . ?
C5_3 C4_3 H4AB_3 109.1 . . ?
N1_3 C4_3 H4AB_3 109.1 . . ?
H4A_3 C4_3 H4AB_3 107.9 . . ?
N9_3 Pd4_3 N14_3 86.0(10) . . ?
N9_3 Pd4_3 N45_1 92.8(8) . . ?
N14_3 Pd4_3 N45_1 176.6(10) . . ?
N9_3 Pd4_3 N1_1 175.0(7) . . ?
N14_3 Pd4_3 N1_1 91.4(9) . . ?
N45_1 Pd4_3 N1_1 89.5(7) . . ?
C4_3 C5_3 N6_3 107(2) . . ?
C4_3 C5_3 H5A_3 110.3 . . ?
N6_3 C5_3 H5A_3 110.3 . . ?
C4_3 C5_3 H5AB_3 110.3 . . ?
N6_3 C5_3 H5AB_3 110.3 . . ?
H5A_3 C5_3 H5AB_3 108.5 . . ?
C7_3 N6_3 C8_3 103.2(19) . . ?
C7_3 N6_3 C5_3 110.7(19) . . ?
C8_3 N6_3 C5_3 108.3(18) . . ?
C7_3 N6_3 Pd1_3 110.7(14) . . ?
C8_3 N6_3 Pd1_3 114.4(14) . . ?
C5_3 N6_3 Pd1_3 109.3(13) . . ?
N6_3 C7_3 H7A_3 109.5 . . ?
N6_3 C7_3 H7B_3 109.5 . . ?
H7A_3 C7_3 H7B_3 109.5 . . ?
N6_3 C7_3 H7C_3 109.5 . . ?
H7A_3 C7_3 H7C_3 109.5 . . ?
H7B_3 C7_3 H7C_3 109.5 . . ?
N6_3 C8_3 H8A_3 109.5 . . ?
N6_3 C8_3 H8AB_3 109.5 . . ?
H8A_3 C8_3 H8AB_3 109.5 . . ?
N6_3 C8_3 H8AC_3 109.5 . . ?
H8A_3 C8_3 H8AC_3 109.5 . . ?
H8AB_3 C8_3 H8AC_3 109.5 . . ?
C12_3 N9_3 C11_3 111.6(18) . . ?
C12_3 N9_3 C10_3 113.3(17) . . ?
C11_3 N9_3 C10_3 104(2) . . ?
C12_3 N9_3 Pd4_3 105.8(19) . . ?
C11_3 N9_3 Pd4_3 109.9(17) . . ?
C10_3 N9_3 Pd4_3 112.7(15) . . ?
N9_3 C10_3 H10A_3 109.5 . . ?
N9_3 C10_3 H10B_3 109.5 . . ?
H10A_3 C10_3 H10B_3 109.5 . . ?
N9_3 C10_3 H10C_3 109.5 . . ?
H10A_3 C10_3 H10C_3 109.5 . . ?
H10B_3 C10_3 H10C_3 109.5 . . ?
N9_3 C11_3 H11A_3 109.5 . . ?
N9_3 C11_3 H11B_3 109.5 . . ?
H11A_3 C11_3 H11B_3 109.5 . . ?
N9_3 C11_3 H11C_3 109.5 . . ?
H11A_3 C11_3 H11C_3 109.5 . . ?
H11B_3 C11_3 H11C_3 109.5 . . ?
C13_3 C12_3 N9_3 114(3) . . ?
C13_3 C12_3 H12A_3 108.6 . . ?
N9_3 C12_3 H12A_3 108.6 . . ?
C13_3 C12_3 H12B_3 108.6 . . ?
N9_3 C12_3 H12B_3 108.6 . . ?
H12A_3 C12_3 H12B_3 107.6 . . ?
C12_3 C13_3 N14_3 114(3) . . ?
C12_3 C13_3 H13A_3 108.8 . . ?
N14_3 C13_3 H13A_3 108.8 . . ?
C12_3 C13_3 H13B_3 108.8 . . ?
N14_3 C13_3 H13B_3 108.8 . . ?
H13A_3 C13_3 H13B_3 107.7 . . ?
C16_3 N14_3 C13_3 107(3) . . ?
C16_3 N14_3 C15_3 111(2) . . ?
C13_3 N14_3 C15_3 102(2) . . ?
C16_3 N14_3 Pd4_3 110.7(18) . . ?
C13_3 N14_3 Pd4_3 106(2) . . ?
C15_3 N14_3 Pd4_3 119.3(19) . . ?
N14_3 C15_3 H15A_3 109.5 . . ?
N14_3 C15_3 H15B_3 109.5 . . ?
H15A_3 C15_3 H15B_3 109.5 . . ?
N14_3 C15_3 H15C_3 109.5 . . ?
H15A_3 C15_3 H15C_3 109.5 . . ?
H15B_3 C15_3 H15C_3 109.5 . . ?
N14_3 C16_3 H16A_3 109.5 . . ?
N14_3 C16_3 H16B_3 109.5 . . ?
H16A_3 C16_3 H16B_3 109.5 . . ?
N14_3 C16_3 H16C_3 109.5 . . ?
H16A_3 C16_3 H16C_3 109.5 . . ?
H16B_3 C16_3 H16C_3 109.5 . . ?
C20_3 N17_3 C19_3 108.8(18) . . ?
C20_3 N17_3 C18_3 109.6(17) . . ?
C19_3 N17_3 C18_3 105.2(16) . . ?
C20_3 N17_3 Pd2_3 110.6(12) . . ?
C19_3 N17_3 Pd2_3 114.3(14) . . ?
C18_3 N17_3 Pd2_3 108.2(13) . . ?
N17_3 C18_3 H18A_3 109.5 . . ?
N17_3 C18_3 H18B_3 109.5 . . ?
H18A_3 C18_3 H18B_3 109.5 . . ?
N17_3 C18_3 H18C_3 109.5 . . ?
H18A_3 C18_3 H18C_3 109.5 . . ?
H18B_3 C18_3 H18C_3 109.5 . . ?
N17_3 C19_3 H19A_3 109.5 . . ?
N17_3 C19_3 H19B_3 109.5 . . ?
H19A_3 C19_3 H19B_3 109.5 . . ?
N17_3 C19_3 H19C_3 109.5 . . ?
H19A_3 C19_3 H19C_3 109.5 . . ?
H19B_3 C19_3 H19C_3 109.5 . . ?
C21_3 C20_3 N17_3 113.6(17) . . ?
C21_3 C20_3 H20A_3 108.8 . . ?
N17_3 C20_3 H20A_3 108.8 . . ?
C21_3 C20_3 H20B_3 108.8 . . ?
N17_3 C20_3 H20B_3 108.8 . . ?
H20A_3 C20_3 H20B_3 107.7 . . ?
C20_3 C21_3 N22_3 117.4(17) . . ?
C20_3 C21_3 H21A_3 108.0 . . ?
N22_3 C21_3 H21A_3 108.0 . . ?
C20_3 C21_3 H21B_3 108.0 . . ?
N22_3 C21_3 H21B_3 108.0 . . ?
H21A_3 C21_3 H21B_3 107.2 . . ?
C21_3 N22_3 C23_3 109.1(11) . . ?
C21_3 N22_3 C24_3 109.0(12) . . ?
C23_3 N22_3 C24_3 104.5(13) . . ?
C21_3 N22_3 Pd2_3 109.6(12) . . ?
C23_3 N22_3 Pd2_3 114.3(13) . . ?
C24_3 N22_3 Pd2_3 110.1(13) . . ?
N22_3 C23_3 H23A_3 109.5 . . ?
N22_3 C23_3 H23B_3 109.5 . . ?
H23A_3 C23_3 H23B_3 109.5 . . ?
N22_3 C23_3 H23C_3 109.5 . . ?
H23A_3 C23_3 H23C_3 109.5 . . ?
H23B_3 C23_3 H23C_3 109.5 . . ?
N22_3 C24_3 H24A_3 109.5 . . ?
N22_3 C24_3 H24B_3 109.5 . . ?
H24A_3 C24_3 H24B_3 109.5 . . ?
N22_3 C24_3 H24C_3 109.5 . . ?
H24A_3 C24_3 H24C_3 109.5 . . ?
H24B_3 C24_3 H24C_3 109.5 . . ?
C28_3 N25_3 C27_3 114.8(18) . . ?
C28_3 N25_3 C26_3 109.4(18) . . ?
C27_3 N25_3 C26_3 106(2) . . ?
C28_3 N25_3 Pd3_3 104.2(17) . . ?
C27_3 N25_3 Pd3_3 113.8(17) . . ?
C26_3 N25_3 Pd3_3 108.1(15) . . ?
N25_3 C26_3 H26A_3 109.5 . . ?
N25_3 C26_3 H26B_3 109.5 . . ?
H26A_3 C26_3 H26B_3 109.5 . . ?
N25_3 C26_3 H26C_3 109.5 . . ?
H26A_3 C26_3 H26C_3 109.5 . . ?
H26B_3 C26_3 H26C_3 109.5 . . ?
N25_3 C27_3 H27A_3 109.5 . . ?
N25_3 C27_3 H27B_3 109.5 . . ?
H27A_3 C27_3 H27B_3 109.5 . . ?
N25_3 C27_3 H27C_3 109.5 . . ?
H27A_3 C27_3 H27C_3 109.5 . . ?
H27B_3 C27_3 H27C_3 109.5 . . ?
N25_3 C28_3 C29_3 107(2) . . ?
N25_3 C28_3 H28A_3 110.4 . . ?
C29_3 C28_3 H28A_3 110.4 . . ?
N25_3 C28_3 H28B_3 110.4 . . ?
C29_3 C28_3 H28B_3 110.4 . . ?
H28A_3 C28_3 H28B_3 108.6 . . ?
N30_3 C29_3 C28_3 108(2) . . ?
N30_3 C29_3 H29A_3 110.1 . . ?
C28_3 C29_3 H29A_3 110.1 . . ?
N30_3 C29_3 H29B_3 110.1 . . ?
C28_3 C29_3 H29B_3 110.1 . . ?
H29A_3 C29_3 H29B_3 108.4 . . ?
C29_3 N30_3 C32_3 109.4(14) . . ?
C29_3 N30_3 C31_3 109.6(14) . . ?
C32_3 N30_3 C31_3 104.2(16) . . ?
C29_3 N30_3 Pd3_3 105.1(17) . . ?
C32_3 N30_3 Pd3_3 114.5(13) . . ?
C31_3 N30_3 Pd3_3 114.0(14) . . ?
N30_3 C31_3 H31A_3 109.5 . . ?
N30_3 C31_3 H31B_3 109.5 . . ?
H31A_3 C31_3 H31B_3 109.5 . . ?
N30_3 C31_3 H31C_3 109.5 . . ?
H31A_3 C31_3 H31C_3 109.5 . . ?
H31B_3 C31_3 H31C_3 109.5 . . ?
N30_3 C32_3 H32A_3 109.5 . . ?
N30_3 C32_3 H32B_3 109.5 . . ?
H32A_3 C32_3 H32B_3 109.5 . . ?
N30_3 C32_3 H32C_3 109.5 . . ?
H32A_3 C32_3 H32C_3 109.5 . . ?
H32B_3 C32_3 H32C_3 109.5 . . ?
O1_4 W1_4 O2_4 100.1(7) . . ?
O1_4 W1_4 O5_4 103.8(6) . . ?
O2_4 W1_4 O5_4 87.7(6) . . ?
O1_4 W1_4 O3_4 103.0(6) . . ?
O2_4 W1_4 O3_4 85.4(6) . . ?
O5_4 W1_4 O3_4 153.1(5) . . ?
O1_4 W1_4 O4_4 107.1(7) . . ?
O2_4 W1_4 O4_4 152.7(5) . . ?
O5_4 W1_4 O4_4 88.3(6) . . ?
O3_4 W1_4 O4_4 86.1(5) . . ?
O1_4 W1_4 O9_4 176.8(7) . . ?
O2_4 W1_4 O9_4 76.8(5) . . ?
O5_4 W1_4 O9_4 76.7(5) . . ?
O3_4 W1_4 O9_4 76.4(5) . . ?
O4_4 W1_4 O9_4 76.0(5) . . ?
O6_4 W2_4 O15_4 98.8(6) . . ?
O6_4 W2_4 O8_4 103.3(6) . . ?
O15_4 W2_4 O8_4 87.1(5) . . ?
O6_4 W2_4 O7_4 101.7(6) . . ?
O15_4 W2_4 O7_4 88.4(5) . . ?
O8_4 W2_4 O7_4 155.0(5) . . ?
O6_4 W2_4 O2_4 99.2(6) . . ?
O15_4 W2_4 O2_4 162.0(6) . . ?
O8_4 W2_4 O2_4 89.0(5) . . ?
O7_4 W2_4 O2_4 87.7(6) . . ?
O6_4 W2_4 O9_4 172.4(5) . . ?
O15_4 W2_4 O9_4 88.8(5) . . ?
O8_4 W2_4 O9_4 77.2(4) . . ?
O7_4 W2_4 O9_4 78.1(5) . . ?
O2_4 W2_4 O9_4 73.2(5) . . ?
W1_4 O2_4 W2_4 117.4(6) . . ?
O14_4 W3_4 O16_4 97.4(6) . . ?
O14_4 W3_4 O5_4 98.2(6) . . ?
O16_4 W3_4 O5_4 163.9(5) . . ?
O14_4 W3_4 O13_4 106.1(7) . . ?
O16_4 W3_4 O13_4 91.4(5) . . ?
O5_4 W3_4 O13_4 87.6(6) . . ?
O14_4 W3_4 O7_4 100.1(7) . . ?
O16_4 W3_4 O7_4 86.7(6) . . ?
O5_4 W3_4 O7_4 87.2(6) . . ?
O13_4 W3_4 O7_4 153.7(5) . . ?
O14_4 W3_4 O9_4 172.0(6) . . ?
O16_4 W3_4 O9_4 89.7(5) . . ?
O5_4 W3_4 O9_4 74.4(5) . . ?
O13_4 W3_4 O9_4 77.1(5) . . ?
O7_4 W3_4 O9_4 76.7(5) . . ?
W1_4 O3_4 W5_4 116.4(6) . . ?
O12_4 W4_4 O4_4 95.4(6) . . ?
O12_4 W4_4 O18_4 100.6(6) . . ?
O4_4 W4_4 O18_4 164.0(6) . . ?
O12_4 W4_4 O13_4 103.0(6) . . ?
O4_4 W4_4 O13_4 89.0(5) . . ?
O18_4 W4_4 O13_4 88.6(5) . . ?
O12_4 W4_4 O11_4 104.9(5) . . ?
O4_4 W4_4 O11_4 86.4(5) . . ?
O18_4 W4_4 O11_4 88.3(5) . . ?
O13_4 W4_4 O11_4 151.9(5) . . ?
O12_4 W4_4 O9_4 169.7(6) . . ?
O4_4 W4_4 O9_4 74.4(5) . . ?
O18_4 W4_4 O9_4 89.7(5) . . ?
O13_4 W4_4 O9_4 76.9(5) . . ?
O11_4 W4_4 O9_4 75.2(4) . . ?
W4_4 O4_4 W1_4 117.9(7) . . ?
O10_4 W5_4 O17_4 102.2(5) . . ?
O10_4 W5_4 O11_4 102.9(5) . . ?
O17_4 W5_4 O11_4 87.3(5) . . ?
O10_4 W5_4 O8_4 103.9(5) . . ?
O17_4 W5_4 O8_4 87.1(5) . . ?
O11_4 W5_4 O8_4 153.1(5) . . ?
O10_4 W5_4 O3_4 96.3(5) . . ?
O17_4 W5_4 O3_4 161.5(5) . . ?
O11_4 W5_4 O3_4 87.8(5) . . ?
O8_4 W5_4 O3_4 89.3(5) . . ?
O10_4 W5_4 O9_4 170.7(5) . . ?
O17_4 W5_4 O9_4 87.1(5) . . ?
O11_4 W5_4 O9_4 76.8(5) . . ?
O8_4 W5_4 O9_4 76.7(5) . . ?
O3_4 W5_4 O9_4 74.4(5) . . ?
W1_4 O5_4 W3_4 116.9(6) . . ?
O23_4 W6_4 O21_4 101.7(5) . . ?
O23_4 W6_4 O24_4 104.7(6) . . ?
O21_4 W6_4 O24_4 153.6(5) . . ?
O23_4 W6_4 O15_4 96.4(6) . . ?
O21_4 W6_4 O15_4 89.3(5) . . ?
O24_4 W6_4 O15_4 88.8(5) . . ?
O23_4 W6_4 O32_4 99.1(6) . . ?
O21_4 W6_4 O32_4 88.5(5) . . ?
O24_4 W6_4 O32_4 86.3(5) . . ?
O15_4 W6_4 O32_4 164.5(5) . . ?
O23_4 W6_4 O22_4 174.2(5) . . ?
O21_4 W6_4 O22_4 75.7(4) . . ?
O24_4 W6_4 O22_4 77.9(5) . . ?
O15_4 W6_4 O22_4 88.8(5) . . ?
O32_4 W6_4 O22_4 75.8(5) . . ?
O26_4 W7_4 O16_4 99.2(6) . . ?
O26_4 W7_4 O27_4 97.2(6) . . ?
O16_4 W7_4 O27_4 163.6(5) . . ?
O26_4 W7_4 O24_4 101.4(6) . . ?
O16_4 W7_4 O24_4 86.7(5) . . ?
O27_4 W7_4 O24_4 89.5(6) . . ?
O26_4 W7_4 O25_4 104.9(6) . . ?
O16_4 W7_4 O25_4 90.5(5) . . ?
O27_4 W7_4 O25_4 85.9(5) . . ?
O24_4 W7_4 O25_4 153.7(5) . . ?
O26_4 W7_4 O22_4 172.2(5) . . ?
O16_4 W7_4 O22_4 87.9(5) . . ?
O27_4 W7_4 O22_4 75.8(5) . . ?
O24_4 W7_4 O22_4 75.5(5) . . ?
O25_4 W7_4 O22_4 78.2(5) . . ?
W2_4 O7_4 W3_4 115.0(6) . . ?
O19_4 W8_4 O17_4 101.1(5) . . ?
O19_4 W8_4 O21_4 103.1(5) . . ?
O17_4 W8_4 O21_4 86.9(5) . . ?
O19_4 W8_4 O20_4 105.3(5) . . ?
O17_4 W8_4 O20_4 89.2(5) . . ?
O21_4 W8_4 O20_4 151.5(5) . . ?
O19_4 W8_4 O31_4 96.1(5) . . ?
O17_4 W8_4 O31_4 162.8(5) . . ?
O21_4 W8_4 O31_4 88.4(5) . . ?
O20_4 W8_4 O31_4 87.1(5) . . ?
O19_4 W8_4 O22_4 172.5(5) . . ?
O17_4 W8_4 O22_4 86.1(5) . . ?
O21_4 W8_4 O22_4 74.7(5) . . ?
O20_4 W8_4 O22_4 76.8(5) . . ?
O31_4 W8_4 O22_4 76.7(5) . . ?
W2_4 O8_4 W5_4 116.5(6) . . ?
O30_4 W9_4 O18_4 100.7(6) . . ?
O30_4 W9_4 O29_4 96.0(6) . . ?
O18_4 W9_4 O29_4 163.1(5) . . ?
O30_4 W9_4 O20_4 102.9(5) . . ?
O18_4 W9_4 O20_4 86.7(5) . . ?
O29_4 W9_4 O20_4 87.0(5) . . ?
O30_4 W9_4 O25_4 103.5(5) . . ?
O18_4 W9_4 O25_4 90.0(5) . . ?
O29_4 W9_4 O25_4 88.7(5) . . ?
O20_4 W9_4 O25_4 153.6(5) . . ?
O30_4 W9_4 O22_4 171.5(5) . . ?
O18_4 W9_4 O22_4 87.5(5) . . ?
O29_4 W9_4 O22_4 75.7(5) . . ?
O20_4 W9_4 O22_4 75.3(4) . . ?
O25_4 W9_4 O22_4 78.3(5) . . ?
W1_4 O9_4 W5_4 92.8(4) . . ?
W1_4 O9_4 W3_4 91.9(4) . . ?
W5_4 O9_4 W3_4 175.3(6) . . ?
W1_4 O9_4 W2_4 92.6(4) . . ?
W5_4 O9_4 W2_4 89.6(4) . . ?
W3_4 O9_4 W2_4 90.1(4) . . ?
W1_4 O9_4 W4_4 91.7(4) . . ?
W5_4 O9_4 W4_4 90.3(4) . . ?
W3_4 O9_4 W4_4 89.6(4) . . ?
W2_4 O9_4 W4_4 175.7(6) . . ?
O28_4 W10_4 O27_4 104.4(6) . . ?
O28_4 W10_4 O32_4 101.3(6) . . ?
O27_4 W10_4 O32_4 87.9(5) . . ?
O28_4 W10_4 O31_4 101.7(5) . . ?
O27_4 W10_4 O31_4 153.9(5) . . ?
O32_4 W10_4 O31_4 88.2(5) . . ?
O28_4 W10_4 O29_4 106.8(6) . . ?
O27_4 W10_4 O29_4 84.9(5) . . ?
O32_4 W10_4 O29_4 151.9(5) . . ?
O31_4 W10_4 O29_4 86.4(5) . . ?
O28_4 W10_4 O22_4 176.1(6) . . ?
O27_4 W10_4 O22_4 77.0(5) . . ?
O32_4 W10_4 O22_4 75.0(5) . . ?
O31_4 W10_4 O22_4 77.1(4) . . ?
O29_4 W10_4 O22_4 76.9(5) . . ?
W5_4 O11_4 W4_4 117.7(6) . . ?
W4_4 O13_4 W3_4 116.3(6) . . ?
W2_4 O15_4 W6_4 174.3(8) . . ?
W3_4 O16_4 W7_4 172.5(7) . . ?
W5_4 O17_4 W8_4 170.2(7) . . ?
W9_4 O18_4 W4_4 173.9(7) . . ?
W9_4 O20_4 W8_4 117.8(6) . . ?
W6_4 O21_4 W8_4 117.6(5) . . ?
W6_4 O22_4 W8_4 92.0(4) . . ?
W6_4 O22_4 W10_4 92.4(4) . . ?
W8_4 O22_4 W10_4 91.8(4) . . ?
W6_4 O22_4 W7_4 90.1(4) . . ?
W8_4 O22_4 W7_4 177.3(6) . . ?
W10_4 O22_4 W7_4 89.7(4) . . ?
W6_4 O22_4 W9_4 177.2(6) . . ?
W8_4 O22_4 W9_4 90.0(4) . . ?
W10_4 O22_4 W9_4 89.5(4) . . ?
W7_4 O22_4 W9_4 87.8(4) . . ?
W6_4 O24_4 W7_4 116.5(7) . . ?
W9_4 O25_4 W7_4 115.6(6) . . ?
W10_4 O27_4 W7_4 117.5(6) . . ?
W9_4 O29_4 W10_4 117.9(6) . . ?
W10_4 O31_4 W8_4 114.3(6) . . ?
W6_4 O32_4 W10_4 116.8(6) . . ?
O2_5 N1_5 O4_5 120.6(13) . . ?
O2_5 N1_5 O3_5 119.6(13) . . ?
O4_5 N1_5 O3_5 119.8(13) . . ?

_refine_diff_density_max         1.506
_refine_diff_density_min         -0.839
_refine_diff_density_rms         0.155


# start Validation Reply Form
_vrf_THETM01_output_sq_s         
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: The crystals of this giant supramolecular assembly diffract
very weekly in nature, possibly due to a large amount of amorphous 
solvents and highly-disordered counterions existing in the unit cell.
There was just no significant diffraction intensity 
at high angles. This is the best resolution that we have
obtained after many optimizations based on synchrotron beamlines.
;
_vrf_PLAT342_output_sq_s         
;
PROBLEM: Low Bond Precision on C-C Bonds ............... 0.02655 Ang. 
RESPONSE:  As stated above, high angle diffraction of the crystal is week.
 This alert results from the limited resolution of the data.
;
# end Validation Reply Form
####################################################################### 
# 
# 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_p21n-a_sq_s
_database_code_depnum_ccdc_archive 'CCDC 2380036'
loop_
_audit_author_name
_audit_author_address
'Lixuan Cai'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2025-02-24 deposited with the CCDC.	2025-03-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C112 H128 N32 Pd4, O40 Si W12, 8(N O3) , 50(H2 O) '
_chemical_formula_sum            'C112 H228 N40 O114 Pd4 Si W12'
_chemical_formula_weight         6619.22

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'
Pd Pd 0.0375 3.1039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2153 0.2529 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -7.1285 4.4676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

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

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

_cell_length_a                   33.1786(3)
_cell_length_b                   35.0845(4)
_cell_length_c                   58.0136(6)
_cell_angle_alpha                90
_cell_angle_beta                 89.8996(10)
_cell_angle_gamma                90
_cell_volume                     67530.9(11)
_cell_formula_units_Z            12
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    56816
_cell_measurement_theta_min      2.0840
_cell_measurement_theta_max      42.6380

_exptl_crystal_description       sheet
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.953
_exptl_crystal_F_000             38136
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    9.843
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_correction_T_min  0.384
_exptl_absorpt_correction_T_max  0.921
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     1.34139
_diffrn_radiation_type           GaK\a
_diffrn_source                   'micro-focus metaljet'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            96650
_diffrn_reflns_av_unetI/netI     0.0450
_diffrn_reflns_av_R_equivalents  0.0423
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -48
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.072
_diffrn_reflns_theta_max         33.980
_diffrn_reflns_theta_full        33.980
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measured_fraction_theta_full 0.961
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_Laue_measured_fraction_full 0.961
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_point_group_measured_fraction_full 0.961
_reflns_number_total             39350
_reflns_number_gt                32879
_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       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_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)+(0.3000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         39350
_refine_ls_number_parameters     4877
_refine_ls_number_restraints     6195
_refine_ls_R_factor_all          0.1168
_refine_ls_R_factor_gt           0.1094
_refine_ls_wR_factor_ref         0.3538
_refine_ls_wR_factor_gt          0.3409
_refine_ls_goodness_of_fit_ref   1.140
_refine_ls_restrained_S_all      1.076
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
N1_1 N 0.505255 0.571641 0.069717 0.102 Uani 1 1 d G U . . .
C2_1 C 0.508869 0.548921 0.089233 0.107 Uani 1 1 d G U . . .
H2_1 H 0.486705 0.545043 0.098785 0.129 Uiso 1 1 calc R U . . .
C3_1 C 0.545608 0.531999 0.094473 0.097 Uani 1 1 d G U . . .
H3_1 H 0.548026 0.516798 0.107531 0.117 Uiso 1 1 calc R U . . .
C4_1 C 0.578735 0.537796 0.080197 0.094 Uani 1 1 d G U . . .
C5_1 C 0.575122 0.560515 0.060681 0.102 Uani 1 1 d G U . . .
H5_1 H 0.597286 0.564394 0.051129 0.122 Uiso 1 1 calc R U . . .
C6_1 C 0.538382 0.577438 0.055441 0.103 Uani 1 1 d G U . . .
H6_1 H 0.535965 0.592639 0.042383 0.124 Uiso 1 1 calc R U . . .
C7_1 C 0.614670 0.522732 0.086581 0.085 Uani 1 1 d G U . . .
N8_1 N 0.624187 0.517489 0.109689 0.085 Uani 1 1 d G U . . .
C9_1 C 0.661002 0.501532 0.115787 0.089 Uani 1 1 d G U . . .
N10_1 N 0.688300 0.490818 0.098779 0.091 Uani 1 1 d G U . . .
C11_1 C 0.678783 0.496061 0.075672 0.090 Uani 1 1 d G U . . .
N12_1 N 0.641969 0.512018 0.069572 0.088 Uani 1 1 d G U . . .
N13_1 N 0.758835 0.458874 0.024722 0.115 Uani 1 1 d G U . . .
C14_1 C 0.729902 0.485998 0.019166 0.117 Uani 1 1 d G U . . .
H14_1 H 0.728087 0.495180 0.004166 0.140 Uiso 1 1 calc R U . . .
C15_1 C 0.703682 0.499399 0.036031 0.104 Uani 1 1 d G U . . .
H15_1 H 0.684324 0.517547 0.032314 0.124 Uiso 1 1 calc R U . . .
C16_1 C 0.706395 0.485676 0.058451 0.097 Uani 1 1 d G U . . .
C17_1 C 0.735328 0.458552 0.064007 0.101 Uani 1 1 d G U . . .
H17_1 H 0.737143 0.449371 0.079008 0.121 Uiso 1 1 calc R U . . .
C18_1 C 0.761548 0.445151 0.047143 0.110 Uani 1 1 d G U . . .
H18_1 H 0.780906 0.427003 0.050860 0.133 Uiso 1 1 calc R U . . .
N19_1 N 0.691371 0.497981 0.185220 0.088 Uani 1 1 d G U . . .
C20_1 C 0.713747 0.476611 0.169601 0.093 Uani 1 1 d G U . . .
H20_1 H 0.735584 0.462296 0.174686 0.111 Uiso 1 1 calc R U . . .
C21_1 C 0.703487 0.476634 0.146381 0.087 Uani 1 1 d G U . . .
H21_1 H 0.718459 0.462336 0.135931 0.104 Uiso 1 1 calc R U . . .
C22_1 C 0.670850 0.498029 0.138780 0.085 Uani 1 1 d G U . . .
C23_1 C 0.648473 0.519399 0.154399 0.093 Uani 1 1 d G U . . .
H23_1 H 0.626637 0.533713 0.149314 0.111 Uiso 1 1 calc R U . . .
C24_1 C 0.658733 0.519376 0.177619 0.094 Uani 1 1 d G U . . .
H24_1 H 0.643761 0.533675 0.188069 0.113 Uiso 1 1 calc R U . . .
C25_1 C 0.702740 0.499700 0.210470 0.093 Uani 1 1 d . U . . .
H25A_1 H 0.691680 0.477533 0.218217 0.112 Uiso 1 1 calc R U . . .
H25B_1 H 0.731855 0.498407 0.211743 0.112 Uiso 1 1 calc R U . . .
C26_1 C 0.688740 0.533652 0.222178 0.101 Uani 1 1 d G U . . .
C27_1 C 0.654741 0.534563 0.236201 0.098 Uani 1 1 d G U . . .
H27_1 H 0.641213 0.512084 0.239724 0.117 Uiso 1 1 calc R U . . .
C28_1 C 0.640961 0.569071 0.244958 0.098 Uani 1 1 d G U . . .
H28_1 H 0.618214 0.569680 0.254340 0.117 Uiso 1 1 calc R U . . .
C29_1 C 0.661180 0.602668 0.239692 0.099 Uani 1 1 d G U . . .
C30_1 C 0.695179 0.601758 0.225669 0.109 Uani 1 1 d G U . . .
H30_1 H 0.708707 0.624237 0.222146 0.130 Uiso 1 1 calc R U . . .
C31_1 C 0.708959 0.567250 0.216912 0.111 Uani 1 1 d G U . . .
H31_1 H 0.731707 0.566641 0.207530 0.133 Uiso 1 1 calc R U . . .
C32_1 C 0.640620 0.637450 0.247040 0.103 Uani 1 1 d . U . . .
H32A_1 H 0.658247 0.652758 0.256626 0.124 Uiso 1 1 calc R U . . .
H32B_1 H 0.616604 0.631230 0.255826 0.124 Uiso 1 1 calc R U . . .
N33_1 N 0.629180 0.659630 0.224708 0.099 Uani 1 1 d G U . . .
C34_1 C 0.608860 0.639232 0.207791 0.100 Uani 1 1 d G U . . .
H34_1 H 0.602853 0.613621 0.210097 0.120 Uiso 1 1 calc R U . . .
C35_1 C 0.597521 0.657111 0.187429 0.099 Uani 1 1 d G U . . .
H35_1 H 0.583926 0.643463 0.176111 0.118 Uiso 1 1 calc R U . . .
C36_1 C 0.606500 0.695389 0.183982 0.082 Uani 1 1 d G U . . .
C37_1 C 0.626819 0.715788 0.200898 0.086 Uani 1 1 d G U . . .
H37_1 H 0.632827 0.741399 0.198592 0.103 Uiso 1 1 calc R U . . .
C38_1 C 0.638159 0.697909 0.221261 0.098 Uani 1 1 d G U . . .
H38_1 H 0.651754 0.711558 0.232579 0.118 Uiso 1 1 calc R U . . .
C39_1 C 0.594160 0.715280 0.163380 0.079 Uani 1 1 d . U . . .
N40_1 N 0.574350 0.692820 0.148540 0.083 Uani 1 1 d . U . . .
C41_1 C 0.558910 0.708370 0.128690 0.079 Uani 1 1 d . U . . .
N42_1 N 0.570560 0.746650 0.124950 0.074 Uani 1 1 d . U . . .
C43_1 C 0.592660 0.765210 0.138630 0.075 Uani 1 1 d . U . . .
N44_1 N 0.605490 0.752330 0.159500 0.076 Uani 1 1 d . U . . .
N45_1 N 0.487801 0.642900 0.086308 0.099 Uani 1 1 d G U . . .
C46_1 C 0.506687 0.674809 0.077068 0.102 Uani 1 1 d G U . . .
H46_1 H 0.503264 0.680840 0.061584 0.122 Uiso 1 1 calc R U . . .
C47_1 C 0.530689 0.697704 0.090970 0.092 Uani 1 1 d G U . . .
H47_1 H 0.543325 0.719053 0.084788 0.110 Uiso 1 1 calc R U . . .
C48_1 C 0.535805 0.688690 0.114112 0.081 Uani 1 1 d G U . . .
C49_1 C 0.516919 0.656782 0.123352 0.091 Uani 1 1 d G U . . .
H49_1 H 0.520342 0.650752 0.138836 0.109 Uiso 1 1 calc R U . . .
C50_1 C 0.492917 0.633887 0.109451 0.100 Uani 1 1 d G U . . .
H50_1 H 0.480281 0.612538 0.115633 0.120 Uiso 1 1 calc R U . . .
N51_1 N 0.612420 0.885400 0.126760 0.082 Uani 1 1 d . U . . .
C52_1 C 0.619660 0.867180 0.149350 0.088 Uani 1 1 d . U . . .
H52_1 H 0.628513 0.880860 0.162105 0.105 Uiso 1 1 calc R U . . .
C53_1 C 0.612600 0.829640 0.150190 0.088 Uani 1 1 d . U . . .
H53_1 H 0.622371 0.818388 0.163576 0.106 Uiso 1 1 calc R U . . .
C54_1 C 0.595420 0.805690 0.136720 0.090 Uani 1 1 d . U . . .
C55_1 C 0.590710 0.821980 0.114670 0.089 Uani 1 1 d . U . . .
H55_1 H 0.584037 0.807413 0.101839 0.107 Uiso 1 1 calc R U . . .
C56_1 C 0.597130 0.864330 0.113160 0.089 Uani 1 1 d . U . . .
H56_1 H 0.587872 0.875766 0.099711 0.106 Uiso 1 1 calc R U . . .
N1_2 N 0.683407 0.910584 0.107571 0.114 Uani 1 1 d G U . . .
C2_2 C 0.711728 0.900208 0.124046 0.114 Uani 1 1 d G U . . .
H2_2 H 0.707704 0.906654 0.139428 0.136 Uiso 1 1 calc R U . . .
C3_2 C 0.746064 0.880197 0.117530 0.114 Uani 1 1 d G U . . .
H3_2 H 0.765013 0.873255 0.128553 0.136 Uiso 1 1 calc R U . . .
C4_2 C 0.752079 0.870563 0.094539 0.114 Uani 1 1 d G U . . .
C5_2 C 0.723759 0.880939 0.078064 0.114 Uani 1 1 d G U . . .
H5_2 H 0.727784 0.874493 0.062682 0.136 Uiso 1 1 calc R U . . .
C6_2 C 0.689423 0.900949 0.084580 0.114 Uani 1 1 d G U . . .
H6_2 H 0.670474 0.907892 0.073557 0.136 Uiso 1 1 calc R U . . .
C7_2 C 0.789610 0.850400 0.085950 0.104 Uani 1 1 d . U . . .
N8_2 N 0.795930 0.849260 0.064860 0.102 Uani 1 1 d . U . . .
C9_2 C 0.833950 0.836090 0.059410 0.103 Uani 1 1 d . U . . .
N10_2 N 0.864080 0.826370 0.076070 0.104 Uani 1 1 d . U . . .
C11_2 C 0.847820 0.830940 0.096800 0.096 Uani 1 1 d . U . . .
N12_2 N 0.814840 0.844370 0.104210 0.112 Uani 1 1 d . U . . .
N13_2 N 0.873257 0.819269 -0.010725 0.114 Uani 1 1 d G U . . .
C14_2 C 0.900270 0.831962 0.005876 0.115 Uani 1 1 d G U . . .
H14_2 H 0.927303 0.835265 0.002112 0.138 Uiso 1 1 calc R U . . .
C15_2 C 0.886878 0.839718 0.028102 0.120 Uani 1 1 d G U . . .
H15_2 H 0.904951 0.848211 0.039209 0.144 Uiso 1 1 calc R U . . .
C16_2 C 0.846473 0.834781 0.033728 0.106 Uani 1 1 d G U . . .
C17_2 C 0.819460 0.822088 0.017127 0.112 Uani 1 1 d G U . . .
H17_2 H 0.792427 0.818785 0.020891 0.135 Uiso 1 1 calc R U . . .
C18_2 C 0.832852 0.814332 -0.005099 0.109 Uani 1 1 d G U . . .
H18_2 H 0.814778 0.805840 -0.016206 0.130 Uiso 1 1 calc R U . . .
N19_2 N 0.929897 0.797721 0.150537 0.113 Uani 1 1 d G U . . .
C20_2 C 0.891101 0.809740 0.155956 0.100 Uani 1 1 d G U . . .
H20_2 H 0.882966 0.811199 0.171280 0.120 Uiso 1 1 calc R U . . .
C21_2 C 0.864464 0.819579 0.138473 0.098 Uani 1 1 d G U . . .
H21_2 H 0.838508 0.827620 0.142099 0.118 Uiso 1 1 calc R U . . .
C22_2 C 0.876623 0.817399 0.115570 0.099 Uani 1 1 d G U . . .
C23_2 C 0.915419 0.805380 0.110150 0.110 Uani 1 1 d G U . . .
H23_2 H 0.923554 0.803921 0.094827 0.132 Uiso 1 1 calc R U . . .
C24_2 C 0.942056 0.795541 0.127634 0.121 Uani 1 1 d G U . . .
H24_2 H 0.968013 0.787500 0.124008 0.145 Uiso 1 1 calc R U . . .
C25_2 C 0.958010 0.781810 0.165620 0.121 Uani 1 1 d . U . . .
H25A_2 H 0.945614 0.780889 0.180765 0.145 Uiso 1 1 calc R U . . .
H25B_2 H 0.980491 0.799401 0.166636 0.145 Uiso 1 1 calc R U . . .
C26_2 C 0.973958 0.745590 0.161112 0.115 Uani 1 1 d G U . . .
C27_2 C 1.015284 0.742359 0.157658 0.112 Uani 1 1 d G U . . .
H27_2 H 1.032071 0.762966 0.160725 0.134 Uiso 1 1 calc R U . . .
C28_2 C 1.031520 0.708330 0.149622 0.109 Uani 1 1 d G U . . .
H28_2 H 1.059170 0.706168 0.147311 0.130 Uiso 1 1 calc R U . . .
C29_2 C 1.006430 0.677531 0.145038 0.104 Uani 1 1 d G U . . .
C30_2 C 0.965103 0.680761 0.148492 0.107 Uani 1 1 d G U . . .
H30_2 H 0.948316 0.660154 0.145425 0.128 Uiso 1 1 calc R U . . .
C31_2 C 0.948867 0.714790 0.156528 0.104 Uani 1 1 d G U . . .
H31_2 H 0.921217 0.716951 0.158839 0.125 Uiso 1 1 calc R U . . .
C32_2 C 1.020330 0.645120 0.135870 0.112 Uani 1 1 d . U . . .
H32A_2 H 1.015722 0.624175 0.146466 0.134 Uiso 1 1 calc R U . . .
H32B_2 H 1.049111 0.647209 0.133189 0.134 Uiso 1 1 calc R U . . .
N33_2 N 0.999471 0.637602 0.113909 0.114 Uani 1 1 d G U . . .
C34_2 C 0.999342 0.667273 0.098031 0.127 Uani 1 1 d G U . . .
H34_2 H 1.014357 0.689163 0.100842 0.152 Uiso 1 1 calc R U . . .
C35_2 C 0.976771 0.664226 0.077953 0.120 Uani 1 1 d G U . . .
H35_2 H 0.976685 0.684078 0.067330 0.144 Uiso 1 1 calc R U . . .
C36_2 C 0.954329 0.631508 0.073752 0.117 Uani 1 1 d G U . . .
C37_2 C 0.954458 0.601837 0.089629 0.118 Uani 1 1 d G U . . .
H37_2 H 0.939443 0.579947 0.086818 0.141 Uiso 1 1 calc R U . . .
C38_2 C 0.977029 0.604884 0.109707 0.124 Uani 1 1 d G U . . .
H38_2 H 0.977115 0.585032 0.120330 0.149 Uiso 1 1 calc R U . . .
C39_2 C 0.932420 0.627750 0.054910 0.117 Uani 1 1 d . U . . .
N40_2 N 0.927340 0.657600 0.037980 0.122 Uani 1 1 d . U . . .
C41_2 C 0.905840 0.656080 0.019280 0.124 Uani 1 1 d . U . . .
N42_2 N 0.883850 0.624810 0.015140 0.125 Uani 1 1 d . U . . .
C43_2 C 0.884880 0.592190 0.029290 0.122 Uani 1 1 d . U . . .
N44_2 N 0.908510 0.595550 0.047990 0.110 Uani 1 1 d . U . . .
N45_2 N 0.828910 0.494261 0.009280 0.137 Uani 1 1 d G U . . .
C46_2 C 0.858241 0.493011 0.026342 0.134 Uani 1 1 d G U . . .
H46_2 H 0.866070 0.469729 0.032553 0.161 Uiso 1 1 calc R U . . .
C47_2 C 0.875871 0.526560 0.034120 0.128 Uani 1 1 d G U . . .
H47_2 H 0.895495 0.525723 0.045536 0.153 Uiso 1 1 calc R U . . .
C48_2 C 0.864170 0.561358 0.024837 0.131 Uani 1 1 d G U . . .
C49_2 C 0.834839 0.562609 0.007775 0.140 Uani 1 1 d G U . . .
H49_2 H 0.827010 0.585892 0.001564 0.168 Uiso 1 1 calc R U . . .
C50_2 C 0.817209 0.529061 -0.000004 0.149 Uani 1 1 d G U . . .
H50_2 H 0.797585 0.529898 -0.011419 0.179 Uiso 1 1 calc R U . . .
N51_2 N 0.901070 0.752982 -0.025052 0.114 Uani 1 1 d G U . . .
C52_2 C 0.868888 0.727619 -0.025227 0.129 Uani 1 1 d G U . . .
H52_2 H 0.847185 0.731764 -0.035036 0.155 Uiso 1 1 calc R U . . .
C53_2 C 0.869142 0.696063 -0.010742 0.127 Uani 1 1 d G U . . .
H53_2 H 0.847610 0.679093 -0.010859 0.153 Uiso 1 1 calc R U . . .
C54_2 C 0.901580 0.689868 0.003919 0.125 Uani 1 1 d G U . . .
C55_2 C 0.933763 0.715230 0.004094 0.124 Uani 1 1 d G U . . .
H55_2 H 0.955466 0.711085 0.013903 0.149 Uiso 1 1 calc R U . . .
C56_2 C 0.933509 0.746787 -0.010391 0.119 Uani 1 1 d G U . . .
H56_2 H 0.955041 0.763756 -0.010274 0.142 Uiso 1 1 calc R U . . .
N1_3 N 1.078450 0.496473 0.407907 0.136 Uani 1 1 d G U . . .
C2_3 C 1.038081 0.494989 0.414290 0.137 Uani 1 1 d G U . . .
H2_3 H 1.024680 0.471716 0.414693 0.164 Uiso 1 1 calc R U . . .
C3_3 C 1.017741 0.528289 0.420072 0.129 Uani 1 1 d G U . . .
H3_3 H 0.990731 0.527296 0.424343 0.155 Uiso 1 1 calc R U . . .
C4_3 C 1.037770 0.563073 0.419470 0.125 Uani 1 1 d G U . . .
C5_3 C 1.078139 0.564558 0.413087 0.131 Uani 1 1 d G U . . .
H5_3 H 1.091540 0.587831 0.412684 0.157 Uiso 1 1 calc R U . . .
C6_3 C 1.098480 0.531258 0.407305 0.134 Uani 1 1 d G U . . .
H6_3 H 1.125489 0.532251 0.403034 0.161 Uiso 1 1 calc R U . . .
C7_3 C 1.019400 0.596641 0.425708 0.117 Uani 1 1 d G U . . .
N8_3 N 0.977822 0.597282 0.428662 0.115 Uani 1 1 d G U . . .
C9_3 C 0.959227 0.629408 0.437819 0.115 Uani 1 1 d G U . . .
N10_3 N 0.982210 0.660892 0.444022 0.116 Uani 1 1 d G U . . .
C11_3 C 1.023788 0.660251 0.441068 0.114 Uani 1 1 d G U . . .
N12_3 N 1.042384 0.628126 0.431911 0.114 Uani 1 1 d G U . . .
N13_3 N 1.090891 0.751717 0.462305 0.109 Uani 1 1 d G U . . .
C14_3 C 1.105984 0.726945 0.445704 0.122 Uani 1 1 d G U . . .
H14_3 H 1.131101 0.731463 0.439108 0.147 Uiso 1 1 calc R U . . .
C15_3 C 1.083537 0.695419 0.438960 0.120 Uani 1 1 d G U . . .
H15_3 H 1.093636 0.678845 0.427853 0.145 Uiso 1 1 calc R U . . .
C16_3 C 1.045997 0.688666 0.448818 0.114 Uani 1 1 d G U . . .
C17_3 C 1.030903 0.713439 0.465420 0.115 Uani 1 1 d G U . . .
H17_3 H 1.005786 0.708920 0.472015 0.138 Uiso 1 1 calc R U . . .
C18_3 C 1.053349 0.744964 0.472163 0.114 Uani 1 1 d G U . . .
H18_3 H 1.043250 0.761539 0.483271 0.137 Uiso 1 1 calc R U . . .
N19_3 N 0.835800 0.639351 0.442410 0.126 Uani 1 1 d G U . . .
C20_3 C 0.861162 0.668999 0.448880 0.130 Uani 1 1 d G U . . .
H20_3 H 0.850331 0.691784 0.454253 0.156 Uiso 1 1 calc R U . . .
C21_3 C 0.902712 0.664594 0.447320 0.134 Uani 1 1 d G U . . .
H21_3 H 0.919680 0.684431 0.451649 0.161 Uiso 1 1 calc R U . . .
C22_3 C 0.918900 0.630540 0.439290 0.122 Uani 1 1 d G U . . .
C23_3 C 0.893539 0.600891 0.432820 0.124 Uani 1 1 d G U . . .
H23_3 H 0.904370 0.578107 0.427447 0.149 Uiso 1 1 calc R U . . .
C24_3 C 0.851989 0.605296 0.434380 0.127 Uani 1 1 d G U . . .
H24_3 H 0.835020 0.585459 0.430051 0.152 Uiso 1 1 calc R U . . .
C25_3 C 0.788720 0.642330 0.440850 0.123 Uani 1 1 d . U . . .
H25A_3 H 0.777501 0.620499 0.432856 0.148 Uiso 1 1 calc R U . . .
H25B_3 H 0.776738 0.643965 0.456081 0.148 Uiso 1 1 calc R U . . .
C26_3 C 0.782321 0.675449 0.428549 0.114 Uani 1 1 d G U . . .
C27_3 C 0.761141 0.705155 0.438798 0.112 Uani 1 1 d G U . . .
H27_3 H 0.751153 0.702446 0.453696 0.134 Uiso 1 1 calc R U . . .
C28_3 C 0.754890 0.738909 0.426779 0.111 Uani 1 1 d G U . . .
H28_3 H 0.740719 0.758784 0.433637 0.133 Uiso 1 1 calc R U . . .
C29_3 C 0.769819 0.742958 0.404512 0.109 Uani 1 1 d G U . . .
C30_3 C 0.790999 0.713252 0.394262 0.102 Uani 1 1 d G U . . .
H30_3 H 0.800987 0.715961 0.379364 0.122 Uiso 1 1 calc R U . . .
C31_3 C 0.797250 0.679498 0.406280 0.102 Uani 1 1 d G U . . .
H31_3 H 0.811421 0.659623 0.399423 0.122 Uiso 1 1 calc R U . . .
C32_3 C 0.767520 0.783690 0.394980 0.115 Uani 1 1 d . U . . .
H32A_3 H 0.752031 0.784211 0.380818 0.138 Uiso 1 1 calc R U . . .
H32B_3 H 0.754778 0.800518 0.406078 0.138 Uiso 1 1 calc R U . . .
N33_3 N 0.809870 0.795857 0.390559 0.111 Uani 1 1 d G U . . .
C34_3 C 0.822461 0.806783 0.368671 0.109 Uani 1 1 d G U . . .
H34_3 H 0.804221 0.807008 0.356517 0.130 Uiso 1 1 calc R U . . .
C35_3 C 0.862314 0.817373 0.364946 0.106 Uani 1 1 d G U . . .
H35_3 H 0.870738 0.824683 0.350301 0.127 Uiso 1 1 calc R U . . .
C36_3 C 0.889576 0.817037 0.383111 0.101 Uani 1 1 d G U . . .
C37_3 C 0.876986 0.806111 0.404999 0.113 Uani 1 1 d G U . . .
H37_3 H 0.895226 0.805886 0.417152 0.136 Uiso 1 1 calc R U . . .
C38_3 C 0.837133 0.795521 0.408724 0.112 Uani 1 1 d G U . . .
H38_3 H 0.828709 0.788211 0.423369 0.135 Uiso 1 1 calc R U . . .
C39_3 C 0.930187 0.829520 0.378866 0.086 Uani 1 1 d G U . . .
N40_3 N 0.939870 0.841910 0.356782 0.089 Uani 1 1 d G U . . .
C41_3 C 0.979337 0.851920 0.351456 0.090 Uani 1 1 d G U . . .
N42_3 N 1.009122 0.849540 0.368214 0.095 Uani 1 1 d G U . . .
C43_3 C 0.999440 0.837150 0.390298 0.092 Uani 1 1 d G U . . .
N44_3 N 0.959973 0.827140 0.395624 0.085 Uani 1 1 d G U . . .
N45_3 N 1.083462 0.822500 0.441662 0.125 Uani 1 1 d G U . . .
C46_3 C 1.043648 0.831021 0.447089 0.130 Uani 1 1 d G U . . .
H46_3 H 1.035684 0.832868 0.462426 0.156 Uiso 1 1 calc R U . . .
C47_3 C 1.015735 0.836781 0.429592 0.123 Uani 1 1 d G U . . .
H47_3 H 0.989096 0.842483 0.433224 0.147 Uiso 1 1 calc R U . . .
C48_3 C 1.027637 0.834021 0.406669 0.108 Uani 1 1 d G U . . .
C49_3 C 1.067452 0.825500 0.401241 0.120 Uani 1 1 d G U . . .
H49_3 H 1.075415 0.823653 0.385904 0.144 Uiso 1 1 calc R U . . .
C50_3 C 1.095365 0.819739 0.418737 0.125 Uani 1 1 d G U . . .
H50_3 H 1.122003 0.814038 0.415106 0.150 Uiso 1 1 calc R U . . .
N51_3 N 0.998770 0.904707 0.289215 0.106 Uani 1 1 d G U . . .
C52_3 C 0.959712 0.895851 0.296068 0.095 Uani 1 1 d G U . . .
H52_3 H 0.938022 0.902479 0.286760 0.114 Uiso 1 1 calc R U . . .
C53_3 C 0.953072 0.877089 0.316833 0.100 Uani 1 1 d G U . . .
H53_3 H 0.926940 0.871164 0.321418 0.120 Uiso 1 1 calc R U . . .
C54_3 C 0.985490 0.867183 0.330745 0.100 Uani 1 1 d G U . . .
C55_3 C 1.024548 0.876039 0.323892 0.117 Uani 1 1 d G U . . .
H55_3 H 1.046237 0.869411 0.333200 0.141 Uiso 1 1 calc R U . . .
C56_3 C 1.031188 0.894801 0.303127 0.119 Uani 1 1 d G U . . .
H56_3 H 1.057320 0.900726 0.298542 0.143 Uiso 1 1 calc R U . . .
N1_4 N 1.001967 0.880931 0.244310 0.102 Uani 1 1 d G U . . .
C2_4 C 0.965329 0.863722 0.239180 0.100 Uani 1 1 d G U . . .
H2_4 H 0.941760 0.878070 0.239220 0.120 Uiso 1 1 calc R U . . .
C3_4 C 0.963917 0.825068 0.233990 0.105 Uani 1 1 d G U . . .
H3_4 H 0.939403 0.813554 0.230558 0.126 Uiso 1 1 calc R U . . .
C4_4 C 0.999143 0.803622 0.233930 0.097 Uani 1 1 d G U . . .
C5_4 C 1.035781 0.820831 0.239060 0.100 Uani 1 1 d G U . . .
H5_4 H 1.059350 0.806482 0.239020 0.120 Uiso 1 1 calc R U . . .
C6_4 C 1.037194 0.859485 0.244250 0.101 Uani 1 1 d G U . . .
H6_4 H 1.061708 0.870999 0.247682 0.122 Uiso 1 1 calc R U . . .
C7_4 C 0.994428 0.766959 0.226619 0.089 Uani 1 1 d G U . . .
N8_4 N 0.957714 0.748964 0.222812 0.086 Uani 1 1 d G U . . .
C9_4 C 0.956791 0.710886 0.216218 0.087 Uani 1 1 d G U . . .
N10_4 N 0.992582 0.690802 0.213431 0.089 Uani 1 1 d G U . . .
C11_4 C 1.029296 0.708796 0.217238 0.088 Uani 1 1 d G U . . .
N12_4 N 1.030219 0.746874 0.223832 0.079 Uani 1 1 d G U . . .
N13_4 N 1.129910 0.642980 0.198030 0.110 Uani 1 1 d . U . . .
C14_4 C 1.136970 0.674990 0.213650 0.109 Uani 1 1 d . U . . .
H14_4 H 1.162133 0.681240 0.219591 0.131 Uiso 1 1 calc R U . . .
C15_4 C 1.101390 0.695320 0.218700 0.104 Uani 1 1 d . U . . .
H15_4 H 1.104495 0.716174 0.228432 0.124 Uiso 1 1 calc R U . . .
C16_4 C 1.061780 0.688430 0.211050 0.099 Uani 1 1 d . U . . .
C17_4 C 1.060550 0.656400 0.198250 0.108 Uani 1 1 d . U . . .
H17_4 H 1.035054 0.648928 0.193381 0.130 Uiso 1 1 calc R U . . .
C18_4 C 1.094200 0.631440 0.190860 0.114 Uani 1 1 d . U . . .
H18_4 H 1.090502 0.609647 0.181986 0.136 Uiso 1 1 calc R U . . .
N19_4 N 0.847948 0.658266 0.200598 0.095 Uani 1 1 d G U . . .
C20_4 C 0.884174 0.638699 0.198371 0.101 Uani 1 1 d G U . . .
H20_4 H 0.884320 0.613778 0.192909 0.122 Uiso 1 1 calc R U . . .
C21_4 C 0.920181 0.656379 0.204308 0.099 Uani 1 1 d G U . . .
H21_4 H 0.944419 0.643287 0.202818 0.119 Uiso 1 1 calc R U . . .
C22_4 C 0.919963 0.693627 0.212472 0.094 Uani 1 1 d G U . . .
C23_4 C 0.883737 0.713194 0.214699 0.099 Uani 1 1 d G U . . .
H23_4 H 0.883591 0.738115 0.220161 0.119 Uiso 1 1 calc R U . . .
C24_4 C 0.847729 0.695515 0.208762 0.101 Uani 1 1 d G U . . .
H24_4 H 0.823492 0.708607 0.210252 0.121 Uiso 1 1 calc R U . . .
C25_4 C 0.811380 0.634480 0.197020 0.099 Uani 1 1 d . U . . .
H25A_4 H 0.787744 0.648990 0.201497 0.119 Uiso 1 1 calc R U . . .
H25B_4 H 0.808951 0.628437 0.180766 0.119 Uiso 1 1 calc R U . . .
C26_4 C 0.812538 0.599043 0.210268 0.094 Uani 1 1 d G U . . .
C27_4 C 0.815512 0.599678 0.234162 0.094 Uani 1 1 d G U . . .
H27_4 H 0.813288 0.622643 0.242068 0.113 Uiso 1 1 calc R U . . .
C28_4 C 0.821808 0.565988 0.246238 0.099 Uani 1 1 d G U . . .
H28_4 H 0.823798 0.566413 0.262224 0.119 Uiso 1 1 calc R U . . .
C29_4 C 0.825132 0.531664 0.234421 0.092 Uani 1 1 d G U . . .
C30_4 C 0.822158 0.531029 0.210528 0.085 Uani 1 1 d G U . . .
H30_4 H 0.824382 0.508063 0.202622 0.102 Uiso 1 1 calc R U . . .
C31_4 C 0.815862 0.564718 0.198451 0.087 Uani 1 1 d G U . . .
H31_4 H 0.813872 0.564293 0.182465 0.104 Uiso 1 1 calc R U . . .
C32_4 C 0.837690 0.497120 0.246370 0.090 Uani 1 1 d . U . . .
H32A_4 H 0.832303 0.475255 0.236618 0.108 Uiso 1 1 calc R U . . .
H32B_4 H 0.821847 0.494300 0.260334 0.108 Uiso 1 1 calc R U . . .
N33_4 N 0.882540 0.497580 0.252660 0.084 Uani 1 1 d . U . . .
C34_4 C 0.893670 0.478540 0.271290 0.085 Uani 1 1 d . U . . .
H34_4 H 0.875734 0.463311 0.279490 0.102 Uiso 1 1 calc R U . . .
C35_4 C 0.934470 0.482680 0.278030 0.089 Uani 1 1 d . U . . .
H35_4 H 0.942328 0.469960 0.291349 0.107 Uiso 1 1 calc R U . . .
C36_4 C 0.962390 0.502720 0.267340 0.091 Uani 1 1 d . U . . .
C37_4 C 0.948870 0.523830 0.248150 0.097 Uani 1 1 d . U . . .
H37_4 H 0.965873 0.540117 0.240046 0.117 Uiso 1 1 calc R U . . .
C38_4 C 0.909200 0.518980 0.242110 0.095 Uani 1 1 d . U . . .
H38_4 H 0.900328 0.532247 0.229201 0.114 Uiso 1 1 calc R U . . .
C39_4 C 1.003970 0.507470 0.274690 0.088 Uani 1 1 d . U . . .
N40_4 N 1.014030 0.494970 0.295230 0.085 Uani 1 1 d . U . . .
C41_4 C 1.052310 0.498710 0.301330 0.093 Uani 1 1 d . U . . .
N42_4 N 1.078270 0.516320 0.287150 0.092 Uani 1 1 d . U . . .
C43_4 C 1.066880 0.523940 0.265470 0.088 Uani 1 1 d . U . . .
N44_4 N 1.029090 0.517140 0.258900 0.089 Uani 1 1 d . U . . .
N45_4 N 1.146712 0.569848 0.216482 0.107 Uani 1 1 d G U . . .
C46_4 C 1.114570 0.547261 0.209472 0.112 Uani 1 1 d G U . . .
H46_4 H 1.110496 0.542494 0.193880 0.134 Uiso 1 1 calc R U . . .
C47_4 C 1.088519 0.531800 0.225767 0.108 Uani 1 1 d G U . . .
H47_4 H 1.067014 0.516688 0.221077 0.130 Uiso 1 1 calc R U . . .
C48_4 C 1.094608 0.538926 0.249071 0.097 Uani 1 1 d G U . . .
C49_4 C 1.126750 0.561512 0.256081 0.103 Uani 1 1 d G U . . .
H49_4 H 1.130824 0.566279 0.271673 0.123 Uiso 1 1 calc R U . . .
C50_4 C 1.152802 0.576973 0.239787 0.109 Uani 1 1 d G U . . .
H50_4 H 1.174307 0.592085 0.244477 0.130 Uiso 1 1 calc R U . . .
N51_4 N 1.092982 0.459590 0.366802 0.104 Uani 1 1 d G U . . .
C52_4 C 1.113780 0.488527 0.355541 0.101 Uani 1 1 d G U . . .
H52_4 H 1.136756 0.498979 0.362179 0.122 Uiso 1 1 calc R U . . .
C53_4 C 1.100239 0.501842 0.334359 0.097 Uani 1 1 d G U . . .
H53_4 H 1.114154 0.521202 0.326825 0.117 Uiso 1 1 calc R U . . .
C54_4 C 1.065899 0.486220 0.324438 0.097 Uani 1 1 d G U . . .
C55_4 C 1.045100 0.457283 0.335699 0.107 Uani 1 1 d G U . . .
H55_4 H 1.022124 0.446831 0.329061 0.128 Uiso 1 1 calc R U . . .
C56_4 C 1.058641 0.443968 0.356881 0.105 Uani 1 1 d G U . . .
H56_4 H 1.044726 0.424608 0.364415 0.126 Uiso 1 1 calc R U . . .
N1_5 N 0.291903 0.807918 0.321963 0.175 Uani 1 1 d G U . . .
C2_5 C 0.301884 0.817582 0.299429 0.176 Uani 1 1 d G U . . .
H2_5 H 0.282199 0.817379 0.288037 0.211 Uiso 1 1 calc R U . . .
C3_5 C 0.341288 0.827549 0.293921 0.169 Uani 1 1 d G U . . .
H3_5 H 0.347966 0.834015 0.278844 0.202 Uiso 1 1 calc R U . . .
C4_5 C 0.370710 0.827852 0.310947 0.160 Uani 1 1 d G U . . .
C5_5 C 0.360729 0.818188 0.333481 0.169 Uani 1 1 d G U . . .
H5_5 H 0.380415 0.818391 0.344873 0.202 Uiso 1 1 calc R U . . .
C6_5 C 0.321326 0.808221 0.338989 0.176 Uani 1 1 d G U . . .
H6_5 H 0.314648 0.801755 0.354066 0.211 Uiso 1 1 calc R U . . .
C7_5 C 0.408453 0.832667 0.304722 0.143 Uani 1 1 d G U . . .
N8_5 N 0.420923 0.822902 0.282611 0.134 Uani 1 1 d G U . . .
C9_5 C 0.461199 0.826731 0.276396 0.128 Uani 1 1 d G U . . .
N10_5 N 0.489006 0.840326 0.292292 0.131 Uani 1 1 d G U . . .
C11_5 C 0.476537 0.850092 0.314403 0.129 Uani 1 1 d G U . . .
N12_5 N 0.436261 0.846263 0.320618 0.141 Uani 1 1 d G U . . .
N13_5 N 0.564697 0.908253 0.351390 0.127 Uani 1 1 d G U . . .
C14_5 C 0.528804 0.897419 0.361903 0.129 Uani 1 1 d G U . . .
H14_5 H 0.523593 0.904482 0.377069 0.155 Uiso 1 1 calc R U . . .
C15_5 C 0.500701 0.876030 0.349748 0.134 Uani 1 1 d G U . . .
H15_5 H 0.476686 0.868781 0.356782 0.161 Uiso 1 1 calc R U . . .
C16_5 C 0.508490 0.865474 0.327081 0.129 Uani 1 1 d G U . . .
C17_5 C 0.544383 0.876307 0.316567 0.128 Uani 1 1 d G U . . .
H17_5 H 0.549594 0.869245 0.301401 0.153 Uiso 1 1 calc R U . . .
C18_5 C 0.572486 0.897697 0.328721 0.131 Uani 1 1 d G U . . .
H18_5 H 0.596501 0.904945 0.321687 0.157 Uiso 1 1 calc R U . . .
N19_5 N 0.506825 0.792822 0.210739 0.125 Uani 1 1 d G U . . .
C20_5 C 0.533020 0.805702 0.227712 0.125 Uani 1 1 d G U . . .
H20_5 H 0.560476 0.807498 0.224645 0.151 Uiso 1 1 calc R U . . .
C21_5 C 0.518179 0.815896 0.249268 0.123 Uani 1 1 d G U . . .
H21_5 H 0.535705 0.824513 0.260624 0.147 Uiso 1 1 calc R U . . .
C22_5 C 0.477142 0.813211 0.253851 0.124 Uani 1 1 d G U . . .
C23_5 C 0.450947 0.800332 0.236879 0.124 Uani 1 1 d G U . . .
H23_5 H 0.423491 0.798535 0.239946 0.149 Uiso 1 1 calc R U . . .
C24_5 C 0.465787 0.790137 0.215323 0.130 Uani 1 1 d G U . . .
H24_5 H 0.448261 0.781520 0.203967 0.156 Uiso 1 1 calc R U . . .
C25_5 C 0.517510 0.782730 0.188890 0.121 Uani 1 1 d . U . . .
H25A_5 H 0.546623 0.783393 0.187386 0.145 Uiso 1 1 calc R U . . .
H25B_5 H 0.506238 0.800812 0.178019 0.145 Uiso 1 1 calc R U . . .
C26_5 C 0.502221 0.742823 0.183348 0.119 Uani 1 1 d G U . . .
C27_5 C 0.511925 0.713402 0.198394 0.113 Uani 1 1 d G U . . .
H27_5 H 0.530285 0.717552 0.210226 0.136 Uiso 1 1 calc R U . . .
C28_5 C 0.494188 0.677779 0.195757 0.122 Uani 1 1 d G U . . .
H28_5 H 0.500680 0.658095 0.205824 0.146 Uiso 1 1 calc R U . . .
C29_5 C 0.466746 0.671577 0.178073 0.133 Uani 1 1 d G U . . .
C30_5 C 0.457042 0.700998 0.163026 0.133 Uani 1 1 d G U . . .
H30_5 H 0.438682 0.696848 0.151194 0.159 Uiso 1 1 calc R U . . .
C31_5 C 0.474779 0.736621 0.165663 0.130 Uani 1 1 d G U . . .
H31_5 H 0.468286 0.756305 0.155596 0.156 Uiso 1 1 calc R U . . .
C32_5 C 0.443000 0.636190 0.176630 0.139 Uani 1 1 d . U . . .
H32A_5 H 0.423942 0.637639 0.164000 0.166 Uiso 1 1 calc R U . . .
H32B_5 H 0.460586 0.614502 0.174087 0.166 Uiso 1 1 calc R U . . .
N33_5 N 0.421876 0.632292 0.198400 0.155 Uani 1 1 d G U . . .
C34_5 C 0.401232 0.662700 0.208243 0.172 Uani 1 1 d G U . . .
H34_5 H 0.399657 0.685857 0.200495 0.207 Uiso 1 1 calc R U . . .
C35_5 C 0.382941 0.658499 0.229667 0.176 Uani 1 1 d G U . . .
H35_5 H 0.369128 0.678844 0.236253 0.212 Uiso 1 1 calc R U . . .
C36_5 C 0.385294 0.623888 0.241247 0.171 Uani 1 1 d G U . . .
C37_5 C 0.405938 0.593480 0.231404 0.168 Uani 1 1 d G U . . .
H37_5 H 0.407513 0.570323 0.239152 0.201 Uiso 1 1 calc R U . . .
C38_5 C 0.424230 0.597681 0.209980 0.160 Uani 1 1 d G U . . .
H38_5 H 0.438042 0.577336 0.203395 0.192 Uiso 1 1 calc R U . . .
C39_5 C 0.361717 0.621387 0.262211 0.168 Uani 1 1 d G U . . .
N40_5 N 0.341293 0.651781 0.272220 0.166 Uani 1 1 d G U . . .
C41_5 C 0.325710 0.648341 0.294379 0.169 Uani 1 1 d G U . . .
N42_5 N 0.330550 0.614507 0.306529 0.173 Uani 1 1 d G U . . .
C43_5 C 0.350973 0.584113 0.296520 0.172 Uani 1 1 d G U . . .
N44_5 N 0.366557 0.587552 0.274361 0.170 Uani 1 1 d G U . . .
N45_5 N 0.257433 0.739127 0.318032 0.182 Uani 1 1 d G U . . .
C46_5 C 0.262858 0.734161 0.294459 0.180 Uani 1 1 d G U . . .
H46_5 H 0.251743 0.751506 0.284148 0.216 Uiso 1 1 calc R U . . .
C47_5 C 0.284894 0.703271 0.286297 0.176 Uani 1 1 d G U . . .
H47_5 H 0.288524 0.699949 0.270525 0.211 Uiso 1 1 calc R U . . .
C48_5 C 0.301507 0.677347 0.301708 0.175 Uani 1 1 d G U . . .
C49_5 C 0.296082 0.682313 0.325281 0.182 Uani 1 1 d G U . . .
H49_5 H 0.307197 0.664968 0.335592 0.218 Uiso 1 1 calc R U . . .
C50_5 C 0.274046 0.713202 0.333443 0.190 Uani 1 1 d G U . . .
H50_5 H 0.270417 0.716525 0.349215 0.228 Uiso 1 1 calc R U . . .
N51_5 N 0.356570 0.481741 0.333199 0.191 Uani 1 1 d G U . . .
C52_5 C 0.367161 0.483557 0.310032 0.181 Uani 1 1 d G U . . .
H52_5 H 0.375521 0.461665 0.302353 0.218 Uiso 1 1 calc R U . . .
C53_5 C 0.365256 0.518092 0.298344 0.181 Uani 1 1 d G U . . .
H53_5 H 0.372342 0.519307 0.282844 0.217 Uiso 1 1 calc R U . . .
C54_5 C 0.352761 0.550812 0.309821 0.179 Uani 1 1 d G U . . .
C55_5 C 0.342170 0.548997 0.332988 0.188 Uani 1 1 d G U . . .
H55_5 H 0.333810 0.570889 0.340667 0.226 Uiso 1 1 calc R U . . .
C56_5 C 0.344074 0.514461 0.344676 0.193 Uani 1 1 d G U . . .
H56_5 H 0.336988 0.513247 0.360176 0.232 Uiso 1 1 calc R U . . .
N1_6 N 0.602646 0.571642 0.462962 0.108 Uani 1 1 d G U . . .
C2_6 C 0.630888 0.550080 0.450969 0.106 Uani 1 1 d G U . . .
H2_6 H 0.656743 0.547042 0.456857 0.127 Uiso 1 1 calc R U . . .
C3_6 C 0.620488 0.533058 0.430178 0.110 Uani 1 1 d G U . . .
H3_6 H 0.639384 0.518632 0.422154 0.132 Uiso 1 1 calc R U . . .
C4_6 C 0.581845 0.537598 0.421379 0.107 Uani 1 1 d G U . . .
C5_6 C 0.553602 0.559160 0.433371 0.105 Uani 1 1 d G U . . .
H5_6 H 0.527747 0.562197 0.427483 0.126 Uiso 1 1 calc R U . . .
C6_6 C 0.564002 0.576182 0.454162 0.109 Uani 1 1 d G U . . .
H6_6 H 0.545106 0.590609 0.462186 0.131 Uiso 1 1 calc R U . . .
C7_6 C 0.571832 0.524141 0.400549 0.104 Uani 1 1 d G U . . .
N8_6 N 0.602799 0.519656 0.384609 0.104 Uani 1 1 d G U . . .
C9_6 C 0.594892 0.503542 0.363201 0.104 Uani 1 1 d G U . . .
N10_6 N 0.556018 0.491913 0.357732 0.109 Uani 1 1 d G U . . .
C11_6 C 0.525052 0.496397 0.373671 0.108 Uani 1 1 d G U . . .
N12_6 N 0.532958 0.512511 0.395079 0.114 Uani 1 1 d G U . . .
N13_6 N 0.408689 0.457532 0.359877 0.127 Uani 1 1 d G U . . .
C14_6 C 0.413790 0.483707 0.377620 0.132 Uani 1 1 d G U . . .
H14_6 H 0.391590 0.492171 0.385984 0.158 Uiso 1 1 calc R U . . .
C15_6 C 0.452070 0.497231 0.382861 0.131 Uani 1 1 d G U . . .
H15_6 H 0.455482 0.514744 0.394733 0.157 Uiso 1 1 calc R U . . .
C16_6 C 0.485250 0.484582 0.370360 0.121 Uani 1 1 d G U . . .
C17_6 C 0.480150 0.458407 0.352617 0.122 Uani 1 1 d G U . . .
H17_6 H 0.502350 0.449943 0.344253 0.146 Uiso 1 1 calc R U . . .
C18_6 C 0.441870 0.444882 0.347375 0.130 Uani 1 1 d G U . . .
H18_6 H 0.438458 0.427369 0.335504 0.156 Uiso 1 1 calc R U . . .
N19_6 N 0.683231 0.499109 0.313741 0.102 Uani 1 1 d G U . . .
C20_6 C 0.647406 0.479563 0.309961 0.109 Uani 1 1 d G U . . .
H20_6 H 0.643734 0.465980 0.296360 0.131 Uiso 1 1 calc R U . . .
C21_6 C 0.617070 0.480317 0.326510 0.107 Uani 1 1 d G U . . .
H21_6 H 0.593101 0.467239 0.323981 0.129 Uiso 1 1 calc R U . . .
C22_6 C 0.622559 0.500617 0.346839 0.104 Uani 1 1 d G U . . .
C23_6 C 0.658383 0.520164 0.350619 0.113 Uani 1 1 d G U . . .
H23_6 H 0.662055 0.533746 0.364221 0.135 Uiso 1 1 calc R U . . .
C24_6 C 0.688720 0.519410 0.334071 0.112 Uani 1 1 d G U . . .
H24_6 H 0.712689 0.532488 0.336600 0.135 Uiso 1 1 calc R U . . .
C25_6 C 0.714490 0.499700 0.295280 0.096 Uani 1 1 d . U . . .
H25A_6 H 0.731121 0.477117 0.296867 0.116 Uiso 1 1 calc R U . . .
H25B_6 H 0.701065 0.498137 0.280470 0.116 Uiso 1 1 calc R U . . .
C26_6 C 0.741201 0.533622 0.295144 0.095 Uani 1 1 d G U . . .
C27_6 C 0.777762 0.534242 0.306800 0.094 Uani 1 1 d G U . . .
H27_6 H 0.788612 0.511735 0.312553 0.113 Uiso 1 1 calc R U . . .
C28_6 C 0.798106 0.568499 0.309858 0.098 Uani 1 1 d G U . . .
H28_6 H 0.822568 0.568913 0.317657 0.117 Uiso 1 1 calc R U . . .
C29_6 C 0.781889 0.602138 0.301260 0.095 Uani 1 1 d G U . . .
C30_6 C 0.745328 0.601519 0.289604 0.098 Uani 1 1 d G U . . .
H30_6 H 0.734478 0.624025 0.283852 0.117 Uiso 1 1 calc R U . . .
C31_6 C 0.724984 0.567262 0.286546 0.093 Uani 1 1 d G U . . .
H31_6 H 0.700522 0.566848 0.278747 0.112 Uiso 1 1 calc R U . . .
C32_6 C 0.799090 0.638640 0.306670 0.102 Uani 1 1 d . U . . .
H32A_6 H 0.801919 0.653288 0.292579 0.122 Uiso 1 1 calc R U . . .
H32B_6 H 0.825809 0.634893 0.313040 0.122 Uiso 1 1 calc R U . . .
N33_6 N 0.774740 0.660370 0.323120 0.100 Uani 1 1 d . U . . .
C34_6 C 0.759150 0.640000 0.342420 0.104 Uani 1 1 d . U . . .
H34_6 H 0.767276 0.615064 0.345234 0.124 Uiso 1 1 calc R U . . .
C35_6 C 0.731060 0.658160 0.357330 0.102 Uani 1 1 d . U . . .
H35_6 H 0.717829 0.645106 0.369065 0.123 Uiso 1 1 calc R U . . .
C36_6 C 0.724280 0.699040 0.352970 0.091 Uani 1 1 d . U . . .
C37_6 C 0.739420 0.717200 0.334020 0.092 Uani 1 1 d . U . . .
H37_6 H 0.732876 0.742654 0.331575 0.110 Uiso 1 1 calc R U . . .
C38_6 C 0.763620 0.699290 0.318720 0.096 Uani 1 1 d . U . . .
H38_6 H 0.772881 0.711863 0.305630 0.115 Uiso 1 1 calc R U . . .
C39_6 C 0.696617 0.712686 0.369183 0.087 Uani 1 1 d G U . . .
N40_6 N 0.684242 0.691833 0.388299 0.089 Uani 1 1 d G U . . .
C41_6 C 0.660440 0.708905 0.405121 0.089 Uani 1 1 d G U . . .
N42_6 N 0.649013 0.746830 0.402827 0.086 Uani 1 1 d G U . . .
C43_6 C 0.661388 0.767684 0.383711 0.088 Uani 1 1 d G U . . .
N44_6 N 0.685190 0.750612 0.366889 0.084 Uani 1 1 d G U . . .
N45_6 N 0.628694 0.882118 0.377881 0.101 Uani 1 1 d G U . . .
C46_6 C 0.656457 0.866841 0.362471 0.095 Uani 1 1 d G U . . .
H46_6 H 0.667738 0.882149 0.351074 0.114 Uiso 1 1 calc R U . . .
C47_6 C 0.667360 0.828683 0.364097 0.093 Uani 1 1 d G U . . .
H47_6 H 0.685936 0.818462 0.353787 0.111 Uiso 1 1 calc R U . . .
C48_6 C 0.650500 0.805803 0.381132 0.090 Uani 1 1 d G U . . .
C49_6 C 0.622736 0.821080 0.396542 0.095 Uani 1 1 d G U . . .
H49_6 H 0.611456 0.805771 0.407939 0.114 Uiso 1 1 calc R U . . .
C50_6 C 0.611833 0.859237 0.394916 0.104 Uani 1 1 d G U . . .
H50_6 H 0.593258 0.869458 0.405226 0.125 Uiso 1 1 calc R U . . .
N51_6 N 0.635463 0.644857 0.463836 0.109 Uani 1 1 d G U . . .
C52_6 C 0.666480 0.633770 0.449161 0.111 Uani 1 1 d G U . . .
H52_6 H 0.681779 0.612296 0.452576 0.133 Uiso 1 1 calc R U . . .
C53_6 C 0.674633 0.654780 0.429382 0.100 Uani 1 1 d G U . . .
H53_6 H 0.695385 0.647362 0.419563 0.120 Uiso 1 1 calc R U . . .
C54_6 C 0.651767 0.686876 0.424277 0.095 Uani 1 1 d G U . . .
C55_6 C 0.620750 0.697963 0.438952 0.103 Uani 1 1 d G U . . .
H55_6 H 0.605451 0.719438 0.435536 0.123 Uiso 1 1 calc R U . . .
C56_6 C 0.612597 0.676954 0.458731 0.101 Uani 1 1 d G U . . .
H56_6 H 0.591844 0.684372 0.468549 0.122 Uiso 1 1 calc R U . . .
Pd1_7 Pd 0.622640 0.606620 0.489040 0.121 Uani 1 1 d . U . . .
Pd2_7 Pd 0.607300 0.934790 0.370480 0.094 Uani 1 1 d . U . . .
Pd3_7 Pd 0.235700 0.787020 0.330370 0.246 Uani 1 1 d . U . . .
Pd4_7 Pd 0.354370 0.435380 0.352960 0.225 Uani 1 1 d . U . . .
Pd5_7 Pd 0.455440 0.605250 0.066570 0.120 Uani 1 1 d . U . . .
Pd6_7 Pd 0.799180 0.446180 -0.000220 0.129 Uani 1 1 d . U . . .
Pd7_7 Pd 0.894260 0.801470 -0.040470 0.139 Uani 1 1 d . U . . .
Pd8_7 Pd 0.633940 0.936320 0.120810 0.096 Uani 1 1 d . U . . .
Pd9_7 Pd 1.119470 0.802890 0.467320 0.150 Uani 1 1 d . U . . .
Pd10_7 Pd 1.000210 0.933880 0.258510 0.103 Uani 1 1 d . U . . .
Pd11_7 Pd 1.174500 0.603860 0.192290 0.131 Uani 1 1 d . U . . .
Pd12_7 Pd 1.107630 0.448050 0.399370 0.135 Uani 1 1 d . U . . .
C1_7 C 0.686400 0.653300 0.512220 0.213 Uani 1 1 d . U . . .
H1A_7 H 0.698489 0.656890 0.527085 0.319 Uiso 1 1 calc R U . . .
H1B_7 H 0.687356 0.676796 0.503756 0.319 Uiso 1 1 calc R U . . .
H1C_7 H 0.700903 0.633990 0.503920 0.319 Uiso 1 1 calc R U . . .
C2_7 C 0.622570 0.677340 0.519390 0.216 Uani 1 1 d . U . . .
H2A_7 H 0.630601 0.695874 0.508108 0.325 Uiso 1 1 calc R U . . .
H2B_7 H 0.629029 0.686549 0.534522 0.325 Uiso 1 1 calc R U . . .
H2C_7 H 0.594052 0.673090 0.518314 0.325 Uiso 1 1 calc R U . . .
N3_7 N 0.644060 0.641350 0.515140 0.205 Uani 1 1 d . U . . .
C4_7 C 0.644550 0.619110 0.536210 0.211 Uani 1 1 d . U . . .
H4A_7 H 0.633206 0.634886 0.548323 0.253 Uiso 1 1 calc R U . . .
H4B_7 H 0.672546 0.614642 0.540169 0.253 Uiso 1 1 calc R U . . .
C5_7 C 0.624000 0.582520 0.537030 0.215 Uani 1 1 d . U . . .
H5A_7 H 0.600183 0.584850 0.546647 0.258 Uiso 1 1 calc R U . . .
H5B_7 H 0.641661 0.563868 0.544105 0.258 Uiso 1 1 calc R U . . .
N6_7 N 0.612090 0.568870 0.514320 0.210 Uani 1 1 d . U . . .
C7_7 C 0.630980 0.532120 0.508800 0.226 Uani 1 1 d . U . . .
H7A_7 H 0.611572 0.515792 0.501531 0.339 Uiso 1 1 calc R U . . .
H7B_7 H 0.640418 0.520366 0.522725 0.339 Uiso 1 1 calc R U . . .
H7C_7 H 0.653297 0.536181 0.498536 0.339 Uiso 1 1 calc R U . . .
C8_7 C 0.568190 0.562470 0.514390 0.214 Uani 1 1 d . U . . .
H8A_7 H 0.555034 0.583227 0.506681 0.321 Uiso 1 1 calc R U . . .
H8B_7 H 0.558708 0.560947 0.530006 0.321 Uiso 1 1 calc R U . . .
H8C_7 H 0.562232 0.539067 0.506528 0.321 Uiso 1 1 calc R U . . .
C9_7 C 0.692830 0.954750 0.380930 0.130 Uani 1 1 d . U . . .
H9A_7 H 0.707817 0.978063 0.379651 0.194 Uiso 1 1 calc R U . . .
H9B_7 H 0.693490 0.941519 0.366450 0.194 Uiso 1 1 calc R U . . .
H9C_7 H 0.704613 0.939011 0.392658 0.194 Uiso 1 1 calc R U . . .
C10_7 C 0.647640 0.955860 0.411830 0.130 Uani 1 1 d . U . . .
H10A_7 H 0.620206 0.959401 0.416661 0.196 Uiso 1 1 calc R U . . .
H10B_7 H 0.664750 0.973136 0.420115 0.196 Uiso 1 1 calc R U . . .
H10C_7 H 0.655768 0.930112 0.414945 0.196 Uiso 1 1 calc R U . . .
N11_7 N 0.650990 0.963380 0.387080 0.119 Uani 1 1 d . U . . .
C12_7 C 0.646960 1.004170 0.382690 0.141 Uani 1 1 d . U . . .
H12A_7 H 0.653831 1.017616 0.396754 0.169 Uiso 1 1 calc R U . . .
H12B_7 H 0.666798 1.011225 0.371153 0.169 Uiso 1 1 calc R U . . .
C13_7 C 0.608850 1.017540 0.375190 0.145 Uani 1 1 d . U . . .
H13A_7 H 0.612651 1.039930 0.365621 0.175 Uiso 1 1 calc R U . . .
H13B_7 H 0.592968 1.024996 0.388500 0.175 Uiso 1 1 calc R U . . .
N14_7 N 0.586560 0.988350 0.361960 0.132 Uani 1 1 d . U . . .
C15_7 C 0.592590 0.993790 0.337080 0.155 Uani 1 1 d . U . . .
H15A_7 H 0.577517 0.974917 0.328774 0.233 Uiso 1 1 calc R U . . .
H15B_7 H 0.620708 0.991257 0.333463 0.233 Uiso 1 1 calc R U . . .
H15C_7 H 0.583485 1.018751 0.332747 0.233 Uiso 1 1 calc R U . . .
C16_7 C 0.543340 0.993590 0.366580 0.147 Uani 1 1 d . U . . .
H16A_7 H 0.535383 1.018780 0.362000 0.220 Uiso 1 1 calc R U . . .
H16B_7 H 0.538241 0.990293 0.382751 0.220 Uiso 1 1 calc R U . . .
H16C_7 H 0.528169 0.975120 0.358006 0.220 Uiso 1 1 calc R U . . .
C17_7 C 0.211680 0.866510 0.326940 0.316 Uani 1 1 d . U . . .
H17A_7 H 0.214950 0.857336 0.311459 0.474 Uiso 1 1 calc R U . . .
H17B_7 H 0.233806 0.882945 0.330781 0.474 Uiso 1 1 calc R U . . .
H17C_7 H 0.186867 0.880453 0.328125 0.474 Uiso 1 1 calc R U . . .
C18_7 C 0.229470 0.847750 0.364180 0.302 Uani 1 1 d . U . . .
H18A_7 H 0.257833 0.842371 0.363802 0.454 Uiso 1 1 calc R U . . .
H18B_7 H 0.217435 0.835095 0.377149 0.454 Uiso 1 1 calc R U . . .
H18C_7 H 0.225408 0.874747 0.365549 0.454 Uiso 1 1 calc R U . . .
N19_7 N 0.210790 0.834100 0.342920 0.271 Uani 1 1 d . U . . .
C20_7 C 0.168450 0.825860 0.347130 0.284 Uani 1 1 d . U . . .
H20A_7 H 0.164459 0.823149 0.363616 0.341 Uiso 1 1 calc R U . . .
H20B_7 H 0.152666 0.847597 0.342119 0.341 Uiso 1 1 calc R U . . .
C21_7 C 0.152860 0.792060 0.335890 0.287 Uani 1 1 d . U . . .
H21A_7 H 0.143750 0.798853 0.320552 0.344 Uiso 1 1 calc R U . . .
H21B_7 H 0.129694 0.782885 0.344471 0.344 Uiso 1 1 calc R U . . .
N22_7 N 0.182290 0.761440 0.334040 0.270 Uani 1 1 d . U . . .
C23_7 C 0.181340 0.735500 0.353830 0.291 Uani 1 1 d . U . . .
H23A_7 H 0.164791 0.746227 0.365770 0.436 Uiso 1 1 calc R U . . .
H23B_7 H 0.208213 0.731891 0.359535 0.436 Uiso 1 1 calc R U . . .
H23C_7 H 0.170393 0.711388 0.349150 0.436 Uiso 1 1 calc R U . . .
C24_7 C 0.172700 0.737670 0.313790 0.294 Uani 1 1 d . U . . .
H24A_7 H 0.159073 0.752871 0.302464 0.442 Uiso 1 1 calc R U . . .
H24B_7 H 0.155605 0.716952 0.318418 0.442 Uiso 1 1 calc R U . . .
H24C_7 H 0.197183 0.727725 0.307316 0.442 Uiso 1 1 calc R U . . .
C25_7 C 0.389320 0.366020 0.371060 0.315 Uani 1 1 d . U . . .
H25A_7 H 0.381747 0.339772 0.369310 0.473 Uiso 1 1 calc R U . . .
H25B_7 H 0.407517 0.368493 0.383820 0.473 Uiso 1 1 calc R U . . .
H25C_7 H 0.402330 0.374701 0.357230 0.473 Uiso 1 1 calc R U . . .
C26_7 C 0.354360 0.402520 0.399000 0.324 Uani 1 1 d . U . . .
H26A_7 H 0.380494 0.412890 0.402307 0.485 Uiso 1 1 calc R U . . .
H26B_7 H 0.348907 0.381709 0.409286 0.485 Uiso 1 1 calc R U . . .
H26C_7 H 0.334281 0.421938 0.401034 0.485 Uiso 1 1 calc R U . . .
N27_7 N 0.353450 0.388930 0.375340 0.320 Uani 1 1 d . U . . .
C28_7 C 0.318170 0.364610 0.372170 0.325 Uani 1 1 d . U . . .
H28A_7 H 0.327444 0.339353 0.367905 0.390 Uiso 1 1 calc R U . . .
H28B_7 H 0.304452 0.362350 0.386886 0.390 Uiso 1 1 calc R U . . .
C29_7 C 0.289760 0.376710 0.355560 0.331 Uani 1 1 d . U . . .
H29A_7 H 0.263704 0.378798 0.363063 0.398 Uiso 1 1 calc R U . . .
H29B_7 H 0.287545 0.356977 0.343920 0.398 Uiso 1 1 calc R U . . .
N30_7 N 0.298170 0.412720 0.343950 0.328 Uani 1 1 d . U . . .
C31_7 C 0.267920 0.441930 0.349210 0.325 Uani 1 1 d . U . . .
H31A_7 H 0.247120 0.441344 0.337733 0.487 Uiso 1 1 calc R U . . .
H31B_7 H 0.280475 0.466582 0.349248 0.487 Uiso 1 1 calc R U . . .
H31C_7 H 0.256358 0.436990 0.364094 0.487 Uiso 1 1 calc R U . . .
C32_7 C 0.298980 0.405960 0.318870 0.348 Uani 1 1 d . U . . .
H32A_7 H 0.271886 0.403901 0.313224 0.522 Uiso 1 1 calc R U . . .
H32B_7 H 0.313269 0.382744 0.315706 0.522 Uiso 1 1 calc R U . . .
H32C_7 H 0.312312 0.426833 0.311350 0.522 Uiso 1 1 calc R U . . .
C33_7 C 0.385830 0.641630 0.089620 0.234 Uani 1 1 d . U . . .
H33A_7 H 0.396789 0.664480 0.096211 0.351 Uiso 1 1 calc R U . . .
H33B_7 H 0.391867 0.620360 0.099435 0.351 Uiso 1 1 calc R U . . .
H33C_7 H 0.357142 0.644194 0.088153 0.351 Uiso 1 1 calc R U . . .
C34_7 C 0.411090 0.672560 0.056490 0.238 Uani 1 1 d . U . . .
H34A_7 H 0.389119 0.679027 0.046480 0.357 Uiso 1 1 calc R U . . .
H34B_7 H 0.435655 0.671601 0.047741 0.357 Uiso 1 1 calc R U . . .
H34C_7 H 0.413448 0.691490 0.068360 0.357 Uiso 1 1 calc R U . . .
N35_7 N 0.403550 0.635350 0.066980 0.234 Uani 1 1 d . U . . .
C36_7 C 0.373240 0.615710 0.053300 0.237 Uani 1 1 d . U . . .
H36A_7 H 0.349669 0.612353 0.063004 0.285 Uiso 1 1 calc R U . . .
H36B_7 H 0.365487 0.632705 0.040887 0.285 Uiso 1 1 calc R U . . .
C37_7 C 0.382210 0.579840 0.043310 0.234 Uani 1 1 d . U . . .
H37A_7 H 0.379832 0.581958 0.026697 0.281 Uiso 1 1 calc R U . . .
H37B_7 H 0.362323 0.561467 0.048501 0.281 Uiso 1 1 calc R U . . .
N38_7 N 0.422400 0.565380 0.048860 0.224 Uani 1 1 d . U . . .
C39_7 C 0.420700 0.529410 0.061490 0.237 Uani 1 1 d . U . . .
H39A_7 H 0.417220 0.534494 0.077631 0.355 Uiso 1 1 calc R U . . .
H39B_7 H 0.445334 0.515582 0.059140 0.355 Uiso 1 1 calc R U . . .
H39C_7 H 0.398428 0.514508 0.056002 0.355 Uiso 1 1 calc R U . . .
C40_7 C 0.446100 0.559000 0.028050 0.229 Uani 1 1 d . U . . .
H40A_7 H 0.430487 0.544587 0.017197 0.344 Uiso 1 1 calc R U . . .
H40B_7 H 0.470111 0.545121 0.031874 0.344 Uiso 1 1 calc R U . . .
H40C_7 H 0.453318 0.583088 0.021367 0.344 Uiso 1 1 calc R U . . .
C41_7 C 0.729790 0.409470 -0.018890 0.225 Uani 1 1 d . U . . .
H41A_7 H 0.730558 0.435381 -0.024191 0.338 Uiso 1 1 calc R U . . .
H41B_7 H 0.710439 0.407188 -0.006646 0.338 Uiso 1 1 calc R U . . .
H41C_7 H 0.722222 0.393044 -0.031389 0.338 Uiso 1 1 calc R U . . .
C42_7 C 0.763040 0.368810 0.006870 0.205 Uani 1 1 d . U . . .
H42A_7 H 0.788400 0.357840 0.011250 0.308 Uiso 1 1 d R U . . .
H42B_7 H 0.746010 0.349350 0.000530 0.308 Uiso 1 1 d R U . . .
H42C_7 H 0.750270 0.379760 0.020170 0.308 Uiso 1 1 d R U . . .
N43_7 N 0.769800 0.398450 -0.010390 0.201 Uani 1 1 d . U . . .
C44_7 C 0.789840 0.379740 -0.029810 0.218 Uani 1 1 d . U . . .
H44A_7 H 0.795943 0.353790 -0.025224 0.262 Uiso 1 1 calc R U . . .
H44B_7 H 0.770661 0.378283 -0.042380 0.262 Uiso 1 1 calc R U . . .
C45_7 C 0.825630 0.396140 -0.038520 0.227 Uani 1 1 d . U . . .
H45A_7 H 0.821670 0.401938 -0.054707 0.272 Uiso 1 1 calc R U . . .
H45B_7 H 0.847014 0.377362 -0.037523 0.272 Uiso 1 1 calc R U . . .
N46_7 N 0.838870 0.430720 -0.026850 0.222 Uani 1 1 d . U . . .
C47_7 C 0.847030 0.461150 -0.043530 0.255 Uani 1 1 d . U . . .
H47A_7 H 0.827644 0.481211 -0.041582 0.382 Uiso 1 1 calc R U . . .
H47B_7 H 0.845146 0.451118 -0.058886 0.382 Uiso 1 1 calc R U . . .
H47C_7 H 0.873644 0.471050 -0.041046 0.382 Uiso 1 1 calc R U . . .
C48_7 C 0.875990 0.422820 -0.013920 0.238 Uani 1 1 d . U . . .
H48A_7 H 0.889521 0.401309 -0.020620 0.357 Uiso 1 1 calc R U . . .
H48B_7 H 0.869355 0.417298 0.001844 0.357 Uiso 1 1 calc R U . . .
H48C_7 H 0.893343 0.444693 -0.014537 0.357 Uiso 1 1 calc R U . . .
C49_7 C 0.895250 0.751750 -0.085830 0.194 Uani 1 1 d . U . . .
H49A_7 H 0.875687 0.765890 -0.094501 0.291 Uiso 1 1 calc R U . . .
H49B_7 H 0.881699 0.733857 -0.075984 0.291 Uiso 1 1 calc R U . . .
H49C_7 H 0.912718 0.738278 -0.096223 0.291 Uiso 1 1 calc R U . . .
C50_7 C 0.958190 0.760470 -0.066900 0.204 Uani 1 1 d . U . . .
H50A_7 H 0.965508 0.743711 -0.079301 0.306 Uiso 1 1 calc R U . . .
H50B_7 H 0.956501 0.746211 -0.052808 0.306 Uiso 1 1 calc R U . . .
H50C_7 H 0.978223 0.780046 -0.065367 0.306 Uiso 1 1 calc R U . . .
N51_7 N 0.919030 0.777930 -0.071820 0.186 Uani 1 1 d . U . . .
C52_7 C 0.925710 0.810980 -0.086620 0.191 Uani 1 1 d . U . . .
H52A_7 H 0.952851 0.820270 -0.083991 0.229 Uiso 1 1 calc R U . . .
H52B_7 H 0.924219 0.802698 -0.102548 0.229 Uiso 1 1 calc R U . . .
C53_7 C 0.898570 0.841730 -0.083550 0.185 Uani 1 1 d . U . . .
H53A_7 H 0.875772 0.838094 -0.093761 0.223 Uiso 1 1 calc R U . . .
H53B_7 H 0.911965 0.865125 -0.088114 0.223 Uiso 1 1 calc R U . . .
N54_7 N 0.883500 0.846230 -0.059970 0.176 Uani 1 1 d . U . . .
C55_7 C 0.841870 0.859970 -0.060360 0.207 Uani 1 1 d . U . . .
H55A_7 H 0.828030 0.851318 -0.046789 0.310 Uiso 1 1 calc R U . . .
H55B_7 H 0.828505 0.850282 -0.073803 0.310 Uiso 1 1 calc R U . . .
H55C_7 H 0.841761 0.887325 -0.060744 0.310 Uiso 1 1 calc R U . . .
C56_7 C 0.907520 0.874640 -0.047360 0.194 Uani 1 1 d . U . . .
H56A_7 H 0.935158 0.873049 -0.052190 0.291 Uiso 1 1 calc R U . . .
H56B_7 H 0.905735 0.869705 -0.031114 0.291 Uiso 1 1 calc R U . . .
H56C_7 H 0.897336 0.899699 -0.050550 0.291 Uiso 1 1 calc R U . . .
C57_7 C 0.692120 0.993760 0.132910 0.138 Uani 1 1 d . U . . .
H57A_7 H 0.716691 0.985420 0.125750 0.207 Uiso 1 1 calc R U . . .
H57B_7 H 0.687607 0.979399 0.146762 0.207 Uiso 1 1 calc R U . . .
H57C_7 H 0.694154 1.020355 0.136621 0.207 Uiso 1 1 calc R U . . .
C58_7 C 0.674120 0.995920 0.093890 0.133 Uani 1 1 d . U . . .
H58A_7 H 0.693807 0.977043 0.089780 0.199 Uiso 1 1 calc R U . . .
H58B_7 H 0.686409 1.020691 0.093729 0.199 Uiso 1 1 calc R U . . .
H58C_7 H 0.652370 0.995316 0.083005 0.199 Uiso 1 1 calc R U . . .
N59_7 N 0.658480 0.987830 0.117070 0.117 Uani 1 1 d . U . . .
C60_7 C 0.628270 1.016950 0.122450 0.138 Uani 1 1 d . U . . .
H60A_7 H 0.641827 1.037540 0.130462 0.166 Uiso 1 1 calc R U . . .
H60B_7 H 0.618519 1.027223 0.107973 0.166 Uiso 1 1 calc R U . . .
C61_7 C 0.594240 1.006320 0.135790 0.136 Uani 1 1 d . U . . .
H61A_7 H 0.570944 1.020333 0.130314 0.163 Uiso 1 1 calc R U . . .
H61B_7 H 0.598851 1.013679 0.151685 0.163 Uiso 1 1 calc R U . . .
N62_7 N 0.585220 0.965640 0.135020 0.122 Uani 1 1 d . U . . .
C63_7 C 0.579400 0.950390 0.158340 0.152 Uani 1 1 d . U . . .
H63A_7 H 0.570518 0.970434 0.168403 0.228 Uiso 1 1 calc R U . . .
H63B_7 H 0.604409 0.940190 0.163901 0.228 Uiso 1 1 calc R U . . .
H63C_7 H 0.559465 0.930568 0.157974 0.228 Uiso 1 1 calc R U . . .
C64_7 C 0.548130 0.956690 0.122170 0.150 Uani 1 1 d . U . . .
H64A_7 H 0.553448 0.958120 0.105922 0.225 Uiso 1 1 calc R U . . .
H64B_7 H 0.527485 0.974692 0.126179 0.225 Uiso 1 1 calc R U . . .
H64C_7 H 0.539296 0.931428 0.126039 0.225 Uiso 1 1 calc R U . . .
C65_7 C 1.125870 0.770570 0.511840 0.211 Uani 1 1 d . U . . .
H65A_7 H 1.118471 0.793409 0.519919 0.316 Uiso 1 1 calc R U . . .
H65B_7 H 1.139353 0.753510 0.522215 0.316 Uiso 1 1 calc R U . . .
H65C_7 H 1.102077 0.758490 0.505923 0.316 Uiso 1 1 calc R U . . .
C66_7 C 1.177060 0.745920 0.488520 0.205 Uani 1 1 d . U . . .
H66A_7 H 1.165890 0.731998 0.475798 0.308 Uiso 1 1 calc R U . . .
H66B_7 H 1.176883 0.730153 0.502044 0.308 Uiso 1 1 calc R U . . .
H66C_7 H 1.204263 0.753177 0.484954 0.308 Uiso 1 1 calc R U . . .
N67_7 N 1.152850 0.780170 0.492740 0.200 Uani 1 1 d . U . . .
C68_7 C 1.178510 0.811030 0.500790 0.205 Uani 1 1 d . U . . .
H68A_7 H 1.167974 0.819339 0.515566 0.246 Uiso 1 1 calc R U . . .
H68B_7 H 1.204985 0.800317 0.503648 0.246 Uiso 1 1 calc R U . . .
C69_7 C 1.184000 0.844020 0.487060 0.203 Uani 1 1 d . U . . .
H69A_7 H 1.209206 0.841762 0.478674 0.244 Uiso 1 1 calc R U . . .
H69B_7 H 1.186000 0.866099 0.497057 0.244 Uiso 1 1 calc R U . . .
N70_7 N 1.151090 0.850140 0.470520 0.180 Uani 1 1 d . U . . .
C71_7 C 1.167140 0.869400 0.449940 0.215 Uani 1 1 d . U . . .
H71A_7 H 1.175339 0.850679 0.438811 0.322 Uiso 1 1 calc R U . . .
H71B_7 H 1.189920 0.884726 0.454182 0.322 Uiso 1 1 calc R U . . .
H71C_7 H 1.146637 0.885365 0.443395 0.322 Uiso 1 1 calc R U . . .
C72_7 C 1.121010 0.875830 0.480920 0.223 Uani 1 1 d . U . . .
H72A_7 H 1.110516 0.892582 0.469304 0.334 Uiso 1 1 calc R U . . .
H72B_7 H 1.133492 0.890613 0.492863 0.334 Uiso 1 1 calc R U . . .
H72C_7 H 1.099420 0.861036 0.487370 0.334 Uiso 1 1 calc R U . . .
C73_7 C 0.952550 0.991750 0.282810 0.150 Uani 1 1 d . U . . .
H73A_7 H 0.932451 0.986411 0.271373 0.225 Uiso 1 1 calc R U . . .
H73B_7 H 0.950460 1.017907 0.287520 0.225 Uiso 1 1 calc R U . . .
H73C_7 H 0.948450 0.975473 0.295907 0.225 Uiso 1 1 calc R U . . .
C74_7 C 1.020820 0.992880 0.292010 0.156 Uani 1 1 d . U . . .
H74A_7 H 1.047554 0.985322 0.287604 0.234 Uiso 1 1 calc R U . . .
H74B_7 H 1.012705 0.978917 0.305471 0.234 Uiso 1 1 calc R U . . .
H74C_7 H 1.020521 1.019681 0.295340 0.234 Uiso 1 1 calc R U . . .
N75_7 N 0.992790 0.984800 0.273060 0.128 Uani 1 1 d . U . . .
C76_7 C 0.997350 1.015270 0.255930 0.150 Uani 1 1 d . U . . .
H76A_7 H 0.974474 1.032306 0.257452 0.180 Uiso 1 1 calc R U . . .
H76B_7 H 1.021269 1.029779 0.259836 0.180 Uiso 1 1 calc R U . . .
C77_7 C 1.000420 1.004460 0.232490 0.147 Uani 1 1 d . U . . .
H77A_7 H 1.023006 1.017960 0.225681 0.177 Uiso 1 1 calc R U . . .
H77B_7 H 0.976233 1.012805 0.224593 0.177 Uiso 1 1 calc R U . . .
N78_7 N 1.005760 0.963710 0.228190 0.133 Uani 1 1 d . U . . .
C79_7 C 1.045980 0.955290 0.218740 0.165 Uani 1 1 d . U . . .
H79A_7 H 1.046283 0.929876 0.212609 0.247 Uiso 1 1 calc R U . . .
H79B_7 H 1.065715 0.957383 0.230755 0.247 Uiso 1 1 calc R U . . .
H79C_7 H 1.052177 0.973119 0.206692 0.247 Uiso 1 1 calc R U . . .
C80_7 C 0.975770 0.949840 0.211560 0.150 Uani 1 1 d . U . . .
H80A_7 H 0.968595 0.970104 0.201232 0.224 Uiso 1 1 calc R U . . .
H80B_7 H 0.952184 0.941334 0.219671 0.224 Uiso 1 1 calc R U . . .
H80C_7 H 0.986946 0.929025 0.202917 0.224 Uiso 1 1 calc R U . . .
C81_7 C 1.170370 0.645010 0.148410 0.215 Uani 1 1 d . U . . .
H81A_7 H 1.179367 0.667359 0.140359 0.322 Uiso 1 1 calc R U . . .
H81B_7 H 1.144312 0.649722 0.155040 0.322 Uiso 1 1 calc R U . . .
H81C_7 H 1.168635 0.624048 0.137822 0.322 Uiso 1 1 calc R U . . .
C82_7 C 1.217990 0.671630 0.173480 0.206 Uani 1 1 d . U . . .
H82A_7 H 1.246486 0.670187 0.170719 0.309 Uiso 1 1 calc R U . . .
H82B_7 H 1.213171 0.676208 0.189565 0.309 Uiso 1 1 calc R U . . .
H82C_7 H 1.206744 0.692089 0.164582 0.309 Uiso 1 1 calc R U . . .
N83_7 N 1.199060 0.635700 0.166740 0.198 Uani 1 1 d . U . . .
C84_7 C 1.229950 0.611980 0.155760 0.207 Uani 1 1 d . U . . .
H84A_7 H 1.217577 0.597604 0.143367 0.248 Uiso 1 1 calc R U . . .
H84B_7 H 1.250195 0.628484 0.148966 0.248 Uiso 1 1 calc R U . . .
C85_7 C 1.249360 0.586010 0.171050 0.209 Uani 1 1 d . U . . .
H85A_7 H 1.267926 0.599858 0.180864 0.250 Uiso 1 1 calc R U . . .
H85B_7 H 1.264765 0.567628 0.162182 0.250 Uiso 1 1 calc R U . . .
N86_7 N 1.219910 0.566020 0.185320 0.201 Uani 1 1 d . U . . .
C87_7 C 1.237200 0.550950 0.206580 0.212 Uani 1 1 d . U . . .
H87A_7 H 1.231623 0.524159 0.207653 0.318 Uiso 1 1 calc R U . . .
H87B_7 H 1.225517 0.563853 0.219565 0.318 Uiso 1 1 calc R U . . .
H87C_7 H 1.265826 0.554931 0.206499 0.318 Uiso 1 1 calc R U . . .
C88_7 C 1.201760 0.534780 0.172470 0.216 Uani 1 1 d . U . . .
H88A_7 H 1.176884 0.527471 0.179699 0.324 Uiso 1 1 calc R U . . .
H88B_7 H 1.219856 0.513431 0.172298 0.324 Uiso 1 1 calc R U . . .
H88C_7 H 1.196576 0.542846 0.156943 0.324 Uiso 1 1 calc R U . . .
C89_7 C 1.114220 0.368950 0.379230 0.178 Uani 1 1 d . U . . .
H89A_7 H 1.090880 0.363010 0.388350 0.267 Uiso 1 1 d R U . . .
H89B_7 H 1.131470 0.347020 0.378420 0.267 Uiso 1 1 d R U . . .
H89C_7 H 1.105960 0.376030 0.363970 0.267 Uiso 1 1 d R U . . .
C90_7 C 1.169030 0.409350 0.373790 0.188 Uani 1 1 d . U . . .
H90A_7 H 1.189380 0.424030 0.381490 0.282 Uiso 1 1 d R U . . .
H90B_7 H 1.158660 0.423630 0.360990 0.282 Uiso 1 1 d R U . . .
H90C_7 H 1.180550 0.385940 0.368310 0.282 Uiso 1 1 d R U . . .
N91_7 N 1.136270 0.400900 0.389910 0.160 Uani 1 1 d . U . . .
C92_7 C 1.155890 0.383840 0.410150 0.169 Uani 1 1 d . U . . .
H92A_7 H 1.153596 0.356361 0.408860 0.202 Uiso 1 1 calc R U . . .
H92B_7 H 1.184359 0.390032 0.409454 0.202 Uiso 1 1 calc R U . . .
C93_7 C 1.141420 0.394550 0.432070 0.172 Uani 1 1 d . U . . .
H93A_7 H 1.163596 0.393824 0.442935 0.206 Uiso 1 1 calc R U . . .
H93B_7 H 1.121561 0.376013 0.437080 0.206 Uiso 1 1 calc R U . . .
N94_7 N 1.123220 0.432400 0.432710 0.174 Uani 1 1 d . U . . .
C95_7 C 1.089350 0.432530 0.449040 0.178 Uani 1 1 d . U . . .
H95A_7 H 1.067227 0.418460 0.442632 0.267 Uiso 1 1 calc R U . . .
H95B_7 H 1.081076 0.458317 0.451917 0.267 Uiso 1 1 calc R U . . .
H95C_7 H 1.097605 0.420898 0.463246 0.267 Uiso 1 1 calc R U . . .
C96_7 C 1.151950 0.461100 0.440520 0.178 Uani 1 1 d . U . . .
H96A_7 H 1.167904 0.450829 0.452833 0.267 Uiso 1 1 calc R U . . .
H96B_7 H 1.137610 0.483137 0.445915 0.267 Uiso 1 1 calc R U . . .
H96C_7 H 1.169238 0.468215 0.427950 0.267 Uiso 1 1 calc R U . . .
W1_8 W 0.571350 0.755430 0.329530 0.081 Uani 1 1 d . U . . .
O1_8 O 0.413490 0.724970 0.272560 0.114 Uani 1 1 d . U . . .
Si1_8 Si 0.522580 0.665760 0.326200 0.074 Uani 1 1 d . U . . .
Si2_8 Si 0.749570 0.667110 0.100020 0.066 Uani 1 1 d . U . . .
W2_8 W 0.624780 0.678980 0.310460 0.082 Uani 1 1 d . U . . .
O2_8 O 0.407520 0.677830 0.312230 0.110 Uani 1 1 d . U . . .
W3_8 W 0.544780 0.703520 0.381440 0.090 Uani 1 1 d . U . . .
O3_8 O 0.444340 0.748380 0.314070 0.103 Uani 1 1 d . U . . .
Si3_8 Si 0.979300 0.669730 0.325060 0.065 Uani 1 1 d . U . . .
W4_8 W 0.598790 0.626510 0.362430 0.086 Uani 1 1 d . U . . .
O4_8 O 0.495280 0.727190 0.281530 0.104 Uani 1 1 d . U . . .
W5_8 W 0.499750 0.616000 0.377320 0.100 Uani 1 1 d . U . . .
O5_8 O 0.460760 0.661050 0.279690 0.102 Uani 1 1 d . U . . .
W6_8 W 0.466480 0.745170 0.345770 0.089 Uani 1 1 d . U . . .
O6_8 O 0.442920 0.780840 0.358300 0.126 Uani 1 1 d . U . . .
W7_8 W 0.550900 0.717800 0.276590 0.087 Uani 1 1 d . U . . .
O7_8 O 0.424380 0.709020 0.353410 0.107 Uani 1 1 d . U . . .
W8_8 W 0.576660 0.586340 0.305920 0.082 Uani 1 1 d . U . . .
O8_8 O 0.513750 0.763380 0.334280 0.098 Uani 1 1 d . U . . .
W9_8 W 0.477770 0.575570 0.321070 0.093 Uani 1 1 d . U . . .
O9_8 O 0.473890 0.585780 0.289060 0.100 Uani 1 1 d . U . . .
W10_8 W 0.420780 0.657070 0.341480 0.102 Uani 1 1 d . U . . .
O10_8 O 0.496690 0.723430 0.370710 0.101 Uani 1 1 d . U . . .
W11_8 W 0.445550 0.706770 0.292760 0.104 Uani 1 1 d . U . . .
O11_8 O 0.374010 0.646960 0.351220 0.132 Uani 1 1 d . U . . .
W12_8 W 0.502830 0.625070 0.272140 0.090 Uani 1 1 d . U . . .
O12_8 O 0.479370 0.686690 0.326880 0.088 Uani 1 1 d . U . . .
W13_8 W 0.839840 0.709610 0.079380 0.086 Uani 1 1 d . U . . .
O13_8 O 0.455110 0.640120 0.367640 0.099 Uani 1 1 d . U . . .
W14_8 W 0.842440 0.626280 0.117010 0.077 Uani 1 1 d . U . . .
O14_8 O 0.436320 0.612610 0.325830 0.105 Uani 1 1 d . U . . .
W15_8 W 0.809660 0.718170 0.139520 0.079 Uani 1 1 d . U . . .
O15_8 O 0.452750 0.535170 0.322210 0.118 Uani 1 1 d . U . . .
W16_8 W 0.780150 0.660230 0.041870 0.082 Uani 1 1 d . U . . .
O16_8 O 0.491380 0.580290 0.352520 0.100 Uani 1 1 d . U . . .
W17_8 W 0.782530 0.577360 0.079240 0.075 Uani 1 1 d . U . . .
O17_8 O 0.529950 0.557290 0.314030 0.099 Uani 1 1 d . U . . .
W18_8 W 0.686080 0.617320 0.061940 0.080 Uani 1 1 d . U . . .
O18_8 O 0.481550 0.589640 0.399600 0.112 Uani 1 1 d . U . . .
W19_8 W 0.749160 0.746930 0.062600 0.077 Uani 1 1 d . U . . .
O19_8 O 0.514180 0.658820 0.394420 0.106 Uani 1 1 d . U . . .
W20_8 W 0.719440 0.755310 0.122660 0.075 Uani 1 1 d . U . . .
O20_8 O 0.556290 0.603150 0.376990 0.105 Uani 1 1 d . U . . .
W21_8 W 0.655730 0.703740 0.082830 0.078 Uani 1 1 d . U . . .
O21_8 O 0.537910 0.656260 0.354310 0.094 Uani 1 1 d . U . . .
W22_8 W 0.721520 0.678100 0.158170 0.078 Uani 1 1 d . U . . .
O22_8 O 0.639700 0.608190 0.374790 0.103 Uani 1 1 d . U . . .
W23_8 W 0.754270 0.586170 0.135770 0.073 Uani 1 1 d . U . . .
O23_8 O 0.590950 0.668650 0.383180 0.103 Uani 1 1 d . U . . .
W24_8 W 0.657520 0.625850 0.118210 0.078 Uani 1 1 d . U . . .
O24_8 O 0.623550 0.660390 0.340340 0.096 Uani 1 1 d . U . . .
W25_8 W 0.996930 0.580570 0.351370 0.085 Uani 1 1 d . U . . .
O25_8 O 0.551860 0.728580 0.406160 0.112 Uani 1 1 d . U . . .
W26_8 W 1.053960 0.665030 0.368320 0.087 Uani 1 1 d . U . . .
O26_8 O 0.572120 0.738460 0.361470 0.097 Uani 1 1 d . U . . .
W27_8 W 1.070030 0.621820 0.311680 0.085 Uani 1 1 d . U . . .
O27_8 O 0.588790 0.593330 0.337240 0.092 Uani 1 1 d . U . . .
W28_8 W 0.998140 0.628780 0.269990 0.078 Uani 1 1 d . U . . .
O28_8 O 0.674650 0.676260 0.303410 0.097 Uani 1 1 d . U . . .
W29_8 W 1.051000 0.707620 0.286300 0.079 Uani 1 1 d . U . . .
O29_8 O 0.620840 0.730740 0.323120 0.096 Uani 1 1 d . U . . .
W30_8 W 0.904490 0.679040 0.282480 0.076 Uani 1 1 d . U . . .
O30_8 O 0.550370 0.595340 0.276960 0.092 Uani 1 1 d . U . . .
W31_8 W 0.957430 0.757560 0.298420 0.073 Uani 1 1 d . U . . .
O31_8 O 0.609810 0.552920 0.297470 0.102 Uani 1 1 d . U . . .
W32_8 W 0.888930 0.719130 0.335530 0.078 Uani 1 1 d . U . . .
O32_8 O 0.608160 0.632370 0.299550 0.088 Uani 1 1 d . U . . .
W33_8 W 1.034130 0.751000 0.342960 0.075 Uani 1 1 d . U . . .
O33_8 O 0.605750 0.700940 0.281750 0.088 Uani 1 1 d . U . . .
W34_8 W 0.966030 0.711750 0.380060 0.083 Uani 1 1 d . U . . .
O34_8 O 0.555230 0.693740 0.314600 0.089 Uani 1 1 d . U . . .
W35_8 W 0.908990 0.627580 0.362850 0.081 Uani 1 1 d . U . . .
O35_8 O 0.590600 0.799540 0.335170 0.112 Uani 1 1 d . U . . .
W36_8 W 0.924590 0.587570 0.309910 0.075 Uani 1 1 d . U . . .
O36_8 O 0.556640 0.740040 0.251520 0.111 Uani 1 1 d . U . . .
O37_8 O 0.562680 0.758800 0.294440 0.093 Uani 1 1 d . U . . .
O38_8 O 0.533990 0.665620 0.268800 0.097 Uani 1 1 d . U . . .
O39_8 O 0.495350 0.612670 0.244630 0.110 Uani 1 1 d . U . . .
O40_8 O 0.518870 0.626670 0.311670 0.096 Uani 1 1 d . U . . .
O41_8 O 0.619050 0.606070 0.129770 0.083 Uani 1 1 d . U . . .
O42_8 O 0.677070 0.657490 0.141200 0.090 Uani 1 1 d . U . . .
O43_8 O 0.631050 0.669500 0.104400 0.096 Uani 1 1 d . U . . .
O44_8 O 0.699890 0.591500 0.125870 0.085 Uani 1 1 d . U . . .
O45_8 O 0.655660 0.604380 0.088460 0.096 Uani 1 1 d . U . . .
O46_8 O 0.749210 0.550960 0.155840 0.100 Uani 1 1 d . U . . .
O47_8 O 0.654030 0.663080 0.061660 0.088 Uani 1 1 d . U . . .
O48_8 O 0.661630 0.591510 0.041350 0.090 Uani 1 1 d . U . . .
O49_8 O 0.764010 0.556270 0.108050 0.086 Uani 1 1 d . U . . .
O50_8 O 0.727800 0.583130 0.071040 0.086 Uani 1 1 d . U . . .
O51_8 O 0.793990 0.536470 0.065090 0.094 Uani 1 1 d . U . . .
O52_8 O 0.727060 0.643210 0.044510 0.085 Uani 1 1 d . U . . .
O53_8 O 0.795550 0.614420 0.055640 0.091 Uani 1 1 d . U . . .
O54_8 O 0.791860 0.649840 0.013620 0.108 Uani 1 1 d . U . . .
O55_8 O 0.834290 0.588780 0.093960 0.085 Uani 1 1 d . U . . .
O56_8 O 0.757500 0.712000 0.039200 0.089 Uani 1 1 d . U . . .
O57_8 O 0.828930 0.681340 0.052250 0.094 Uani 1 1 d . U . . .
O58_8 O 0.887200 0.727180 0.073500 0.112 Uani 1 1 d . U . . .
O59_8 O 0.809470 0.748930 0.065160 0.092 Uani 1 1 d . U . . .
O60_8 O 0.830930 0.725430 0.108930 0.094 Uani 1 1 d . U . . .
O61_8 O 0.850760 0.662310 0.092950 0.088 Uani 1 1 d . U . . .
O62_8 O 0.742000 0.781920 0.047090 0.089 Uani 1 1 d . U . . .
O63_8 O 0.741890 0.762870 0.093570 0.088 Uani 1 1 d . U . . .
O64_8 O 0.695530 0.727030 0.065000 0.084 Uani 1 1 d . U . . .
O65_8 O 0.845040 0.740450 0.156640 0.096 Uani 1 1 d . U . . .
O66_8 O 0.775190 0.762860 0.135230 0.093 Uani 1 1 d . U . . .
O67_8 O 0.774140 0.700100 0.163780 0.085 Uani 1 1 d . U . . .
O68_8 O 0.830790 0.670050 0.136170 0.081 Uani 1 1 d . U . . .
O69_8 O 0.705500 0.674810 0.186210 0.086 Uani 1 1 d . U . . .
O70_8 O 0.702380 0.726010 0.151470 0.091 Uani 1 1 d . U . . .
O71_8 O 0.746070 0.631040 0.153400 0.078 Uani 1 1 d . U . . .
O72_8 O 0.888480 0.613280 0.126160 0.090 Uani 1 1 d . U . . .
O73_8 O 0.772010 0.627680 0.106170 0.078 Uani 1 1 d . U . . .
O74_8 O 0.771280 0.688360 0.078700 0.087 Uani 1 1 d . U . . .
O75_8 O 0.704090 0.657530 0.092850 0.076 Uani 1 1 d . U . . .
O76_8 O 0.811840 0.595260 0.136770 0.078 Uani 1 1 d . U . . .
O77_8 O 0.675390 0.733780 0.106970 0.082 Uani 1 1 d . U . . .
O78_8 O 0.701260 0.800060 0.131320 0.117 Uani 1 1 d . U . . .
O79_8 O 0.616130 0.729560 0.074610 0.101 Uani 1 1 d . U . . .
O80_8 O 0.749740 0.693460 0.121300 0.083 Uani 1 1 d . U . . .
O81_8 O 0.951820 0.728800 0.406300 0.099 Uani 1 1 d . U . . .
O82_8 O 1.014520 0.685350 0.388730 0.091 Uani 1 1 d . U . . .
O83_8 O 1.000450 0.752380 0.368810 0.086 Uani 1 1 d . U . . .
O84_8 O 0.924780 0.730640 0.360510 0.090 Uani 1 1 d . U . . .
O85_8 O 0.938950 0.664880 0.379900 0.095 Uani 1 1 d . U . . .
O86_8 O 0.874650 0.614920 0.381960 0.095 Uani 1 1 d . U . . .
O87_8 O 0.884330 0.670600 0.347670 0.090 Uani 1 1 d . U . . .
O88_8 O 0.950230 0.590450 0.369800 0.094 Uani 1 1 d . U . . .
O89_8 O 0.846130 0.741550 0.344550 0.092 Uani 1 1 d . U . . .
O90_8 O 0.894020 0.594980 0.337060 0.080 Uani 1 1 d . U . . .
O91_8 O 0.869520 0.700730 0.307340 0.092 Uani 1 1 d . U . . .
O92_8 O 0.911080 0.758840 0.318280 0.082 Uani 1 1 d . U . . .
O93_8 O 0.872080 0.677810 0.260120 0.102 Uani 1 1 d . U . . .
O94_8 O 0.924670 0.729910 0.277580 0.084 Uani 1 1 d . U . . .
O95_8 O 0.952090 0.662320 0.268530 0.085 Uani 1 1 d . U . . .
O96_8 O 0.898170 0.629940 0.298150 0.088 Uani 1 1 d . U . . .
O97_8 O 0.897430 0.551530 0.299970 0.098 Uani 1 1 d . U . . .
O98_8 O 0.960980 0.559130 0.329000 0.086 Uani 1 1 d . U . . .
O99_8 O 1.034780 0.585940 0.329190 0.093 Uani 1 1 d . U . . .
O100_8 O 1.011940 0.541260 0.363450 0.095 Uani 1 1 d . U . . .
O101_8 O 1.025290 0.617690 0.367770 0.092 Uani 1 1 d . U . . .
O102_8 O 1.076800 0.650820 0.338920 0.087 Uani 1 1 d . U . . .
O103_8 O 1.090900 0.654810 0.387810 0.124 Uani 1 1 d . U . . .
O104_8 O 1.067000 0.716380 0.359470 0.085 Uani 1 1 d . U . . .
O105_8 O 1.059130 0.788120 0.348000 0.094 Uani 1 1 d . U . . .
O106_8 O 0.993060 0.768180 0.325710 0.092 Uani 1 1 d . U . . .
O107_8 O 1.058180 0.728340 0.315490 0.088 Uani 1 1 d . U . . .
O108_8 O 0.956260 0.801900 0.286650 0.102 Uani 1 1 d . U . . .
O109_8 O 1.084180 0.735380 0.270360 0.099 Uani 1 1 d . U . . .
O110_8 O 1.084790 0.668540 0.295930 0.089 Uani 1 1 d . U . . .
O111_8 O 1.032790 0.673030 0.262810 0.085 Uani 1 1 d . U . . .
O112_8 O 1.002540 0.736880 0.284570 0.083 Uani 1 1 d . U . . .
O113_8 O 0.999560 0.609250 0.243440 0.089 Uani 1 1 d . U . . .
O114_8 O 1.044860 0.605820 0.283630 0.093 Uani 1 1 d . U . . .
O115_8 O 0.965970 0.596430 0.288090 0.081 Uani 1 1 d . U . . .
O116_8 O 1.012940 0.660730 0.304560 0.082 Uani 1 1 d . U . . .
O117_8 O 1.113670 0.597130 0.310110 0.106 Uani 1 1 d . U . . .
O118_8 O 1.000330 0.692440 0.346840 0.081 Uani 1 1 d . U . . .
O119_8 O 0.945520 0.698090 0.314020 0.082 Uani 1 1 d . U . . .
O120_8 O 0.960100 0.630930 0.333480 0.079 Uani 1 1 d . U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
N1_1 C2_1 1.3900 . ?
N1_1 C6_1 1.3900 . ?
N1_1 Pd5_7 2.0388 . ?
C2_1 C3_1 1.3900 . ?
C2_1 H2_1 0.9300 . ?
C3_1 C4_1 1.3900 . ?
C3_1 H3_1 0.9300 . ?
C4_1 C7_1 1.3563 . ?
C4_1 C5_1 1.3900 . ?
C5_1 C6_1 1.3900 . ?
C5_1 H5_1 0.9300 . ?
C6_1 H6_1 0.9300 . ?
C7_1 N8_1 1.3900 . ?
C7_1 N12_1 1.3900 . ?
N8_1 C9_1 1.3900 . ?
C9_1 C22_1 1.3794 . ?
C9_1 N10_1 1.3900 . ?
N10_1 C11_1 1.3900 . ?
C11_1 N12_1 1.3900 . ?
C11_1 C16_1 1.4024 . ?
N13_1 C14_1 1.3900 . ?
N13_1 C18_1 1.3900 . ?
N13_1 Pd6_7 2.0192 . ?
C14_1 C15_1 1.3900 . ?
C14_1 H14_1 0.9300 . ?
C15_1 C16_1 1.3900 . ?
C15_1 H15_1 0.9300 . ?
C16_1 C17_1 1.3900 . ?
C17_1 C18_1 1.3900 . ?
C17_1 H17_1 0.9300 . ?
C18_1 H18_1 0.9300 . ?
N19_1 C20_1 1.3900 . ?
N19_1 C24_1 1.3900 . ?
N19_1 C25_1 1.5145 . ?
C20_1 C21_1 1.3900 . ?
C20_1 H20_1 0.9300 . ?
C21_1 C22_1 1.3900 . ?
C21_1 H21_1 0.9300 . ?
C22_1 C23_1 1.3900 . ?
C23_1 C24_1 1.3900 . ?
C23_1 H23_1 0.9300 . ?
C24_1 H24_1 0.9300 . ?
C25_1 C26_1 1.4474 . ?
C25_1 H25A_1 0.9700 . ?
C25_1 H25B_1 0.9700 . ?
C26_1 C27_1 1.3900 . ?
C26_1 C31_1 1.3900 . ?
C27_1 C28_1 1.3900 . ?
C27_1 H27_1 0.9300 . ?
C28_1 C29_1 1.3900 . ?
C28_1 H28_1 0.9300 . ?
C29_1 C30_1 1.3900 . ?
C29_1 C32_1 1.4612 . ?
C30_1 C31_1 1.3900 . ?
C30_1 H30_1 0.9300 . ?
C31_1 H31_1 0.9300 . ?
C32_1 N33_1 1.5588 . ?
C32_1 H32A_1 0.9700 . ?
C32_1 H32B_1 0.9700 . ?
N33_1 C34_1 1.3900 . ?
N33_1 C38_1 1.3900 . ?
C34_1 C35_1 1.3900 . ?
C34_1 H34_1 0.9300 . ?
C35_1 C36_1 1.3900 . ?
C35_1 H35_1 0.9300 . ?
C36_1 C37_1 1.3900 . ?
C36_1 C39_1 1.4439 . ?
C37_1 C38_1 1.3900 . ?
C37_1 H37_1 0.9300 . ?
C38_1 H38_1 0.9300 . ?
C39_1 N40_1 1.3402 . ?
C39_1 N44_1 1.3716 . ?
N40_1 C41_1 1.3741 . ?
C41_1 C48_1 1.3349 . ?
C41_1 N42_1 1.4142 . ?
N42_1 C43_1 1.2624 . ?
C43_1 N44_1 1.3613 . ?
C43_1 C54_1 1.4275 . ?
N45_1 C46_1 1.3900 . ?
N45_1 C50_1 1.3900 . ?
N45_1 Pd5_7 2.0526 . ?
C46_1 C47_1 1.3900 . ?
C46_1 H46_1 0.9300 . ?
C47_1 C48_1 1.3900 . ?
C47_1 H47_1 0.9300 . ?
C48_1 C49_1 1.3900 . ?
C49_1 C50_1 1.3900 . ?
C49_1 H49_1 0.9300 . ?
C50_1 H50_1 0.9300 . ?
N51_1 C56_1 1.1949 . ?
N51_1 C52_1 1.4781 . ?
N51_1 Pd8_7 1.9544 . ?
C52_1 C53_1 1.3386 . ?
C52_1 H52_1 0.9300 . ?
C53_1 C54_1 1.2819 . ?
C53_1 H53_1 0.9300 . ?
C54_1 C55_1 1.4100 . ?
C55_1 C56_1 1.5036 . ?
C55_1 H55_1 0.9300 . ?
C56_1 H56_1 0.9300 . ?
N1_2 C2_2 1.3900 . ?
N1_2 C6_2 1.3900 . ?
N1_2 Pd8_7 2.0235 . ?
C2_2 C3_2 1.3900 . ?
C2_2 H2_2 0.9300 . ?
C3_2 C4_2 1.3900 . ?
C3_2 H3_2 0.9300 . ?
C4_2 C5_2 1.3900 . ?
C4_2 C7_2 1.5156 . ?
C5_2 C6_2 1.3900 . ?
C5_2 H5_2 0.9300 . ?
C6_2 H6_2 0.9300 . ?
C7_2 N8_2 1.2416 . ?
C7_2 N12_2 1.3678 . ?
N8_2 C9_2 1.3796 . ?
C9_2 N10_2 1.4329 . ?
C9_2 C16_2 1.5467 . ?
N10_2 C11_2 1.3269 . ?
C11_2 N12_2 1.2659 . ?
C11_2 C22_2 1.5259 . ?
N13_2 C14_2 1.3900 . ?
N13_2 C18_2 1.3900 . ?
N13_2 Pd7_7 1.9619 . ?
C14_2 C15_2 1.3900 . ?
C14_2 H14_2 0.9300 . ?
C15_2 C16_2 1.3900 . ?
C15_2 H15_2 0.9300 . ?
C16_2 C17_2 1.3900 . ?
C17_2 C18_2 1.3900 . ?
C17_2 H17_2 0.9300 . ?
C18_2 H18_2 0.9300 . ?
N19_2 C20_2 1.3900 . ?
N19_2 C24_2 1.3900 . ?
N19_2 C25_2 1.3965 . ?
C20_2 C21_2 1.3900 . ?
C20_2 H20_2 0.9300 . ?
C21_2 C22_2 1.3900 . ?
C21_2 H21_2 0.9300 . ?
C22_2 C23_2 1.3900 . ?
C23_2 C24_2 1.3900 . ?
C23_2 H23_2 0.9300 . ?
C24_2 H24_2 0.9300 . ?
C25_2 C26_2 1.4010 . ?
C25_2 H25A_2 0.9700 . ?
C25_2 H25B_2 0.9700 . ?
C26_2 C27_2 1.3900 . ?
C26_2 C31_2 1.3900 . ?
C27_2 C28_2 1.3900 . ?
C27_2 H27_2 0.9300 . ?
C28_2 C29_2 1.3900 . ?
C28_2 H28_2 0.9300 . ?
C29_2 C32_2 1.3371 . ?
C29_2 C30_2 1.3900 . ?
C30_2 C31_2 1.3900 . ?
C30_2 H30_2 0.9300 . ?
C31_2 H31_2 0.9300 . ?
C32_2 N33_2 1.4747 . ?
C32_2 H32A_2 0.9700 . ?
C32_2 H32B_2 0.9700 . ?
N33_2 C34_2 1.3900 . ?
N33_2 C38_2 1.3900 . ?
C34_2 C35_2 1.3900 . ?
C34_2 H34_2 0.9300 . ?
C35_2 C36_2 1.3900 . ?
C35_2 H35_2 0.9300 . ?
C36_2 C39_2 1.3204 . ?
C36_2 C37_2 1.3900 . ?
C37_2 C38_2 1.3900 . ?
C37_2 H37_2 0.9300 . ?
C38_2 H38_2 0.9300 . ?
C39_2 N44_2 1.4380 . ?
C39_2 N40_2 1.4458 . ?
N40_2 C41_2 1.3005 . ?
C41_2 N42_2 1.3395 . ?
C41_2 C54_2 1.4899 . ?
N42_2 C43_2 1.4089 . ?
C43_2 C48_2 1.3075 . ?
C43_2 N44_2 1.3448 . ?
N45_2 C46_2 1.3900 . ?
N45_2 C50_2 1.3900 . ?
N45_2 Pd6_7 2.0308 . ?
C46_2 C47_2 1.3900 . ?
C46_2 H46_2 0.9300 . ?
C47_2 C48_2 1.3900 . ?
C47_2 H47_2 0.9300 . ?
C48_2 C49_2 1.3900 . ?
C49_2 C50_2 1.3900 . ?
C49_2 H49_2 0.9300 . ?
C50_2 H50_2 0.9300 . ?
N51_2 C52_2 1.3900 . ?
N51_2 C56_2 1.3900 . ?
N51_2 Pd7_7 1.9354 . ?
C52_2 C53_2 1.3900 . ?
C52_2 H52_2 0.9300 . ?
C53_2 C54_2 1.3900 . ?
C53_2 H53_2 0.9300 . ?
C54_2 C55_2 1.3900 . ?
C55_2 C56_2 1.3900 . ?
C55_2 H55_2 0.9300 . ?
C56_2 H56_2 0.9300 . ?
N1_3 C2_3 1.3900 . ?
N1_3 C6_3 1.3900 . ?
N1_3 Pd12_7 2.0167 . ?
C2_3 C3_3 1.3900 . ?
C2_3 H2_3 0.9300 . ?
C3_3 C4_3 1.3900 . ?
C3_3 H3_3 0.9300 . ?
C4_3 C7_3 1.3743 . ?
C4_3 C5_3 1.3900 . ?
C5_3 C6_3 1.3900 . ?
C5_3 H5_3 0.9300 . ?
C6_3 H6_3 0.9300 . ?
C7_3 N8_3 1.3900 . ?
C7_3 N12_3 1.3900 . ?
N8_3 C9_3 1.3900 . ?
C9_3 C22_3 1.3411 . ?
C9_3 N10_3 1.3900 . ?
N10_3 C11_3 1.3900 . ?
C11_3 C16_3 1.3191 . ?
C11_3 N12_3 1.3900 . ?
N13_3 C14_3 1.3900 . ?
N13_3 C18_3 1.3900 . ?
N13_3 Pd9_7 2.0514 . ?
C14_3 C15_3 1.3900 . ?
C14_3 H14_3 0.9300 . ?
C15_3 C16_3 1.3900 . ?
C15_3 H15_3 0.9300 . ?
C16_3 C17_3 1.3900 . ?
C17_3 C18_3 1.3900 . ?
C17_3 H17_3 0.9300 . ?
C18_3 H18_3 0.9300 . ?
N19_3 C20_3 1.3900 . ?
N19_3 C24_3 1.3900 . ?
N19_3 C25_3 1.5683 . ?
C20_3 C21_3 1.3900 . ?
C20_3 H20_3 0.9300 . ?
C21_3 C22_3 1.3900 . ?
C21_3 H21_3 0.9300 . ?
C22_3 C23_3 1.3900 . ?
C23_3 C24_3 1.3900 . ?
C23_3 H23_3 0.9300 . ?
C24_3 H24_3 0.9300 . ?
C25_3 C26_3 1.3802 . ?
C25_3 H25A_3 0.9700 . ?
C25_3 H25B_3 0.9700 . ?
C26_3 C27_3 1.3900 . ?
C26_3 C31_3 1.3900 . ?
C27_3 C28_3 1.3900 . ?
C27_3 H27_3 0.9300 . ?
C28_3 C29_3 1.3900 . ?
C28_3 H28_3 0.9300 . ?
C29_3 C30_3 1.3900 . ?
C29_3 C32_3 1.5343 . ?
C30_3 C31_3 1.3900 . ?
C30_3 H30_3 0.9300 . ?
C31_3 H31_3 0.9300 . ?
C32_3 N33_3 1.4903 . ?
C32_3 H32A_3 0.9700 . ?
C32_3 H32B_3 0.9700 . ?
N33_3 C34_3 1.3900 . ?
N33_3 C38_3 1.3900 . ?
C34_3 C35_3 1.3900 . ?
C34_3 H34_3 0.9300 . ?
C35_3 C36_3 1.3900 . ?
C35_3 H35_3 0.9300 . ?
C36_3 C37_3 1.3900 . ?
C36_3 C39_3 1.4377 . ?
C37_3 C38_3 1.3900 . ?
C37_3 H37_3 0.9300 . ?
C38_3 H38_3 0.9300 . ?
C39_3 N40_3 1.3900 . ?
C39_3 N44_3 1.3900 . ?
N40_3 C41_3 1.3900 . ?
C41_3 C54_3 1.3309 . ?
C41_3 N42_3 1.3900 . ?
N42_3 C43_3 1.3900 . ?
C43_3 C48_3 1.3388 . ?
C43_3 N44_3 1.3900 . ?
N45_3 C46_3 1.3900 . ?
N45_3 C50_3 1.3900 . ?
N45_3 Pd9_7 2.0304 . ?
C46_3 C47_3 1.3900 . ?
C46_3 H46_3 0.9300 . ?
C47_3 C48_3 1.3900 . ?
C47_3 H47_3 0.9300 . ?
C48_3 C49_3 1.3900 . ?
C49_3 C50_3 1.3900 . ?
C49_3 H49_3 0.9300 . ?
C50_3 H50_3 0.9300 . ?
N51_3 C52_3 1.3900 . ?
N51_3 C56_3 1.3900 . ?
N51_3 Pd10_7 2.0549 . ?
C52_3 C53_3 1.3900 . ?
C52_3 H52_3 0.9300 . ?
C53_3 C54_3 1.3900 . ?
C53_3 H53_3 0.9300 . ?
C54_3 C55_3 1.3900 . ?
C55_3 C56_3 1.3900 . ?
C55_3 H55_3 0.9300 . ?
C56_3 H56_3 0.9300 . ?
N1_4 C2_4 1.3900 . ?
N1_4 C6_4 1.3900 . ?
N1_4 Pd10_7 2.0329 . ?
C2_4 C3_4 1.3900 . ?
C2_4 H2_4 0.9300 . ?
C3_4 C4_4 1.3900 . ?
C3_4 H3_4 0.9300 . ?
C4_4 C7_4 1.3635 . ?
C4_4 C5_4 1.3900 . ?
C5_4 C6_4 1.3900 . ?
C5_4 H5_4 0.9300 . ?
C6_4 H6_4 0.9300 . ?
C7_4 N8_4 1.3900 . ?
C7_4 N12_4 1.3900 . ?
N8_4 C9_4 1.3900 . ?
C9_4 C22_4 1.3813 . ?
C9_4 N10_4 1.3900 . ?
N10_4 C11_4 1.3900 . ?
C11_4 C16_4 1.3415 . ?
C11_4 N12_4 1.3900 . ?
N13_4 C18_4 1.3200 . ?
N13_4 C14_4 1.4622 . ?
N13_4 Pd11_7 2.0449 . ?
C14_4 C15_4 1.4096 . ?
C14_4 H14_4 0.9300 . ?
C15_4 C16_4 1.4088 . ?
C15_4 H15_4 0.9300 . ?
C16_4 C17_4 1.3476 . ?
C17_4 C18_4 1.4817 . ?
C17_4 H17_4 0.9300 . ?
C18_4 H18_4 0.9300 . ?
N19_4 C20_4 1.3900 . ?
N19_4 C24_4 1.3900 . ?
N19_4 C25_4 1.4874 . ?
C20_4 C21_4 1.3900 . ?
C20_4 H20_4 0.9300 . ?
C21_4 C22_4 1.3900 . ?
C21_4 H21_4 0.9300 . ?
C22_4 C23_4 1.3900 . ?
C23_4 C24_4 1.3900 . ?
C23_4 H23_4 0.9300 . ?
C24_4 H24_4 0.9300 . ?
C25_4 C26_4 1.4622 . ?
C25_4 H25A_4 0.9700 . ?
C25_4 H25B_4 0.9700 . ?
C26_4 C27_4 1.3900 . ?
C26_4 C31_4 1.3900 . ?
C27_4 C28_4 1.3900 . ?
C27_4 H27_4 0.9300 . ?
C28_4 C29_4 1.3900 . ?
C28_4 H28_4 0.9300 . ?
C29_4 C30_4 1.3900 . ?
C29_4 C32_4 1.4574 . ?
C30_4 C31_4 1.3900 . ?
C30_4 H30_4 0.9300 . ?
C31_4 H31_4 0.9300 . ?
C32_4 N33_4 1.5329 . ?
C32_4 H32A_4 0.9700 . ?
C32_4 H32B_4 0.9700 . ?
N33_4 C38_4 1.3110 . ?
N33_4 C34_4 1.3237 . ?
C34_4 C35_4 1.4172 . ?
C34_4 H34_4 0.9300 . ?
C35_4 C36_4 1.3172 . ?
C35_4 H35_4 0.9300 . ?
C36_4 C37_4 1.4110 . ?
C36_4 C39_4 1.4543 . ?
C37_4 C38_4 1.3732 . ?
C37_4 H37_4 0.9300 . ?
C38_4 H38_4 0.9300 . ?
C39_4 N44_4 1.2830 . ?
C39_4 N40_4 1.3134 . ?
N40_4 C41_4 1.3256 . ?
C41_4 N42_4 1.3408 . ?
C41_4 C54_4 1.4814 . ?
N42_4 C43_4 1.3408 . ?
C43_4 N44_4 1.3326 . ?
C43_4 C48_4 1.4230 . ?
N45_4 C50_4 1.3900 . ?
N45_4 C46_4 1.3900 . ?
N45_4 Pd11_7 2.0589 . ?
C46_4 C47_4 1.3900 . ?
C46_4 H46_4 0.9300 . ?
C47_4 C48_4 1.3900 . ?
C47_4 H47_4 0.9300 . ?
C48_4 C49_4 1.3900 . ?
C49_4 C50_4 1.3900 . ?
C49_4 H49_4 0.9300 . ?
C50_4 H50_4 0.9300 . ?
N51_4 C52_4 1.3900 . ?
N51_4 C56_4 1.3900 . ?
N51_4 Pd12_7 1.9933 . ?
C52_4 C53_4 1.3900 . ?
C52_4 H52_4 0.9300 . ?
C53_4 C54_4 1.3900 . ?
C53_4 H53_4 0.9300 . ?
C54_4 C55_4 1.3900 . ?
C55_4 C56_4 1.3900 . ?
C55_4 H55_4 0.9300 . ?
C56_4 H56_4 0.9300 . ?
N1_5 C2_5 1.3900 . ?
N1_5 C6_5 1.3900 . ?
N1_5 Pd3_7 2.0614 . ?
C2_5 C3_5 1.3900 . ?
C2_5 H2_5 0.9300 . ?
C3_5 C4_5 1.3900 . ?
C3_5 H3_5 0.9300 . ?
C4_5 C7_5 1.3136 . ?
C4_5 C5_5 1.3900 . ?
C5_5 C6_5 1.3900 . ?
C5_5 H5_5 0.9300 . ?
C6_5 H6_5 0.9300 . ?
C7_5 N8_5 1.3900 . ?
C7_5 N12_5 1.3900 . ?
N8_5 C9_5 1.3900 . ?
C9_5 N10_5 1.3900 . ?
C9_5 C22_5 1.4876 . ?
N10_5 C11_5 1.3900 . ?
C11_5 N12_5 1.3900 . ?
C11_5 C16_5 1.3996 . ?
N13_5 C14_5 1.3900 . ?
N13_5 C18_5 1.3900 . ?
N13_5 Pd2_7 2.0241 . ?
C14_5 C15_5 1.3900 . ?
C14_5 H14_5 0.9300 . ?
C15_5 C16_5 1.3900 . ?
C15_5 H15_5 0.9300 . ?
C16_5 C17_5 1.3900 . ?
C17_5 C18_5 1.3900 . ?
C17_5 H17_5 0.9300 . ?
C18_5 H18_5 0.9300 . ?
N19_5 C25_5 1.3624 . ?
N19_5 C20_5 1.3900 . ?
N19_5 C24_5 1.3900 . ?
C20_5 C21_5 1.3900 . ?
C20_5 H20_5 0.9300 . ?
C21_5 C22_5 1.3900 . ?
C21_5 H21_5 0.9300 . ?
C22_5 C23_5 1.3900 . ?
C23_5 C24_5 1.3900 . ?
C23_5 H23_5 0.9300 . ?
C24_5 H24_5 0.9300 . ?
C25_5 C26_5 1.5237 . ?
C25_5 H25A_5 0.9700 . ?
C25_5 H25B_5 0.9700 . ?
C26_5 C27_5 1.3900 . ?
C26_5 C31_5 1.3900 . ?
C27_5 C28_5 1.3900 . ?
C27_5 H27_5 0.9300 . ?
C28_5 C29_5 1.3900 . ?
C28_5 H28_5 0.9300 . ?
C29_5 C30_5 1.3900 . ?
C29_5 C32_5 1.4729 . ?
C30_5 C31_5 1.3900 . ?
C30_5 H30_5 0.9300 . ?
C31_5 H31_5 0.9300 . ?
C32_5 N33_5 1.4498 . ?
C32_5 H32A_5 0.9700 . ?
C32_5 H32B_5 0.9700 . ?
N33_5 C34_5 1.3900 . ?
N33_5 C38_5 1.3900 . ?
C34_5 C35_5 1.3900 . ?
C34_5 H34_5 0.9300 . ?
C35_5 C36_5 1.3900 . ?
C35_5 H35_5 0.9300 . ?
C36_5 C37_5 1.3900 . ?
C36_5 C39_5 1.4476 . ?
C37_5 C38_5 1.3900 . ?
C37_5 H37_5 0.9300 . ?
C38_5 H38_5 0.9300 . ?
C39_5 N40_5 1.3900 . ?
C39_5 N44_5 1.3900 . ?
N40_5 C41_5 1.3900 . ?
C41_5 C48_5 1.3639 . ?
C41_5 N42_5 1.3900 . ?
N42_5 C43_5 1.3900 . ?
C43_5 N44_5 1.3900 . ?
C43_5 C54_5 1.4015 . ?
N45_5 C46_5 1.3900 . ?
N45_5 C50_5 1.3900 . ?
N45_5 Pd3_7 1.9631 . ?
C46_5 C47_5 1.3900 . ?
C46_5 H46_5 0.9300 . ?
C47_5 C48_5 1.3900 . ?
C47_5 H47_5 0.9300 . ?
C48_5 C49_5 1.3900 . ?
C49_5 C50_5 1.3900 . ?
C49_5 H49_5 0.9300 . ?
C50_5 H50_5 0.9300 . ?
N51_5 C52_5 1.3900 . ?
N51_5 C56_5 1.3900 . ?
N51_5 Pd4_7 1.9912 . ?
C52_5 C53_5 1.3900 . ?
C52_5 H52_5 0.9300 . ?
C53_5 C54_5 1.3900 . ?
C53_5 H53_5 0.9300 . ?
C54_5 C55_5 1.3900 . ?
C55_5 C56_5 1.3900 . ?
C55_5 H55_5 0.9300 . ?
C56_5 H56_5 0.9300 . ?
N1_6 C2_6 1.3900 . ?
N1_6 C6_6 1.3900 . ?
N1_6 Pd1_7 2.0587 . ?
C2_6 C3_6 1.3900 . ?
C2_6 H2_6 0.9300 . ?
C3_6 C4_6 1.3900 . ?
C3_6 H3_6 0.9300 . ?
C4_6 C7_6 1.3398 . ?
C4_6 C5_6 1.3900 . ?
C5_6 C6_6 1.3900 . ?
C5_6 H5_6 0.9300 . ?
C6_6 H6_6 0.9300 . ?
C7_6 N8_6 1.3900 . ?
C7_6 N12_6 1.3900 . ?
N8_6 C9_6 1.3900 . ?
C9_6 C22_6 1.3233 . ?
C9_6 N10_6 1.3900 . ?
N10_6 C11_6 1.3900 . ?
C11_6 N12_6 1.3900 . ?
C11_6 C16_6 1.3977 . ?
N13_6 C14_6 1.3900 . ?
N13_6 C18_6 1.3900 . ?
N13_6 Pd4_7 2.0039 . ?
C14_6 C15_6 1.3900 . ?
C14_6 H14_6 0.9300 . ?
C15_6 C16_6 1.3900 . ?
C15_6 H15_6 0.9300 . ?
C16_6 C17_6 1.3900 . ?
C17_6 C18_6 1.3900 . ?
C17_6 H17_6 0.9300 . ?
C18_6 H18_6 0.9300 . ?
N19_6 C20_6 1.3900 . ?
N19_6 C24_6 1.3900 . ?
N19_6 C25_6 1.4897 . ?
C20_6 C21_6 1.3900 . ?
C20_6 H20_6 0.9300 . ?
C21_6 C22_6 1.3900 . ?
C21_6 H21_6 0.9300 . ?
C22_6 C23_6 1.3900 . ?
C23_6 C24_6 1.3900 . ?
C23_6 H23_6 0.9300 . ?
C24_6 H24_6 0.9300 . ?
C25_6 C26_6 1.4839 . ?
C25_6 H25A_6 0.9700 . ?
C25_6 H25B_6 0.9700 . ?
C26_6 C27_6 1.3900 . ?
C26_6 C31_6 1.3900 . ?
C27_6 C28_6 1.3900 . ?
C27_6 H27_6 0.9300 . ?
C28_6 C29_6 1.3900 . ?
C28_6 H28_6 0.9300 . ?
C29_6 C30_6 1.3900 . ?
C29_6 C32_6 1.4370 . ?
C30_6 C31_6 1.3900 . ?
C30_6 H30_6 0.9300 . ?
C31_6 H31_6 0.9300 . ?
C32_6 N33_6 1.4635 . ?
C32_6 H32A_6 0.9700 . ?
C32_6 H32B_6 0.9700 . ?
N33_6 C34_6 1.4248 . ?
N33_6 C38_6 1.4374 . ?
C34_6 C35_6 1.4212 . ?
C34_6 H34_6 0.9300 . ?
C35_6 C36_6 1.4737 . ?
C35_6 H35_6 0.9300 . ?
C36_6 C37_6 1.3656 . ?
C36_6 C39_6 1.3976 . ?
C37_6 C38_6 1.3509 . ?
C37_6 H37_6 0.9300 . ?
C38_6 H38_6 0.9300 . ?
C39_6 N40_6 1.3900 . ?
C39_6 N44_6 1.3900 . ?
N40_6 C41_6 1.3900 . ?
C41_6 C54_6 1.3835 . ?
C41_6 N42_6 1.3900 . ?
N42_6 C43_6 1.3900 . ?
C43_6 N44_6 1.3900 . ?
C43_6 C48_6 1.3934 . ?
N45_6 C46_6 1.3900 . ?
N45_6 C50_6 1.3900 . ?
N45_6 Pd2_7 2.0259 . ?
C46_6 C47_6 1.3900 . ?
C46_6 H46_6 0.9300 . ?
C47_6 C48_6 1.3900 . ?
C47_6 H47_6 0.9300 . ?
C48_6 C49_6 1.3900 . ?
C49_6 C50_6 1.3900 . ?
C49_6 H49_6 0.9300 . ?
C50_6 H50_6 0.9300 . ?
N51_6 C52_6 1.3900 . ?
N51_6 C56_6 1.3900 . ?
N51_6 Pd1_7 2.0289 . ?
C52_6 C53_6 1.3900 . ?
C52_6 H52_6 0.9300 . ?
C53_6 C54_6 1.3900 . ?
C53_6 H53_6 0.9300 . ?
C54_6 C55_6 1.3900 . ?
C55_6 C56_6 1.3900 . ?
C55_6 H55_6 0.9300 . ?
C56_6 H56_6 0.9300 . ?
Pd1_7 N6_7 2.0064 . ?
Pd1_7 N3_7 2.0703 . ?
Pd2_7 N11_7 2.0099 . ?
Pd2_7 N14_7 2.0616 . ?
Pd3_7 N19_7 1.9848 . ?
Pd3_7 N22_7 1.9974 . ?
Pd4_7 N27_7 2.0838 . ?
Pd4_7 N30_7 2.0942 . ?
Pd5_7 N35_7 2.0198 . ?
Pd5_7 N38_7 2.0538 . ?
Pd6_7 N43_7 2.0260 . ?
Pd6_7 N46_7 2.0995 . ?
Pd7_7 N54_7 1.9684 . ?
Pd7_7 N51_7 2.1587 . ?
Pd7_7 C56_7 2.6349 . ?
Pd8_7 N59_7 1.9938 . ?
Pd8_7 N62_7 2.0847 . ?
Pd9_7 N70_7 1.9708 . ?
Pd9_7 N67_7 2.0106 . ?
Pd10_7 N75_7 1.9910 . ?
Pd10_7 N78_7 2.0548 . ?
Pd11_7 N83_7 2.0260 . ?
Pd11_7 N86_7 2.0479 . ?
Pd12_7 N91_7 1.9846 . ?
Pd12_7 N94_7 2.0769 . ?
C1_7 N3_7 1.4755 . ?
C1_7 H1A_7 0.9600 . ?
C1_7 H1B_7 0.9600 . ?
C1_7 H1C_7 0.9600 . ?
C2_7 N3_7 1.4707 . ?
C2_7 H2A_7 0.9600 . ?
C2_7 H2B_7 0.9600 . ?
C2_7 H2C_7 0.9600 . ?
N3_7 C4_7 1.4503 . ?
C4_7 C5_7 1.4543 . ?
C4_7 H4A_7 0.9700 . ?
C4_7 H4B_7 0.9700 . ?
C5_7 N6_7 1.4571 . ?
C5_7 H5A_7 0.9700 . ?
C5_7 H5B_7 0.9700 . ?
N6_7 C7_7 1.4687 . ?
N6_7 C8_7 1.4737 . ?
C7_7 H7A_7 0.9600 . ?
C7_7 H7B_7 0.9600 . ?
C7_7 H7C_7 0.9600 . ?
C8_7 H8A_7 0.9600 . ?
C8_7 H8B_7 0.9600 . ?
C8_7 H8C_7 0.9600 . ?
C9_7 N11_7 1.4643 . ?
C9_7 H9A_7 0.9600 . ?
C9_7 H9B_7 0.9600 . ?
C9_7 H9C_7 0.9600 . ?
C10_7 N11_7 1.4639 . ?
C10_7 H10A_7 0.9600 . ?
C10_7 H10B_7 0.9600 . ?
C10_7 H10C_7 0.9600 . ?
N11_7 C12_7 1.4598 . ?
C12_7 C13_7 1.4178 . ?
C12_7 H12A_7 0.9700 . ?
C12_7 H12B_7 0.9700 . ?
C13_7 N14_7 1.4788 . ?
C13_7 H13A_7 0.9700 . ?
C13_7 H13B_7 0.9700 . ?
N14_7 C15_7 1.4693 . ?
N14_7 C16_7 1.4699 . ?
C15_7 H15A_7 0.9600 . ?
C15_7 H15B_7 0.9600 . ?
C15_7 H15C_7 0.9600 . ?
C16_7 H16A_7 0.9600 . ?
C16_7 H16B_7 0.9600 . ?
C16_7 H16C_7 0.9600 . ?
C17_7 N19_7 1.4674 . ?
C17_7 H17A_7 0.9600 . ?
C17_7 H17B_7 0.9600 . ?
C17_7 H17C_7 0.9600 . ?
C18_7 N19_7 1.4620 . ?
C18_7 H18A_7 0.9600 . ?
C18_7 H18B_7 0.9600 . ?
C18_7 H18C_7 0.9600 . ?
N19_7 C20_7 1.4545 . ?
C20_7 C21_7 1.4492 . ?
C20_7 H20A_7 0.9700 . ?
C20_7 H20B_7 0.9700 . ?
C21_7 N22_7 1.4556 . ?
C21_7 H21A_7 0.9700 . ?
C21_7 H21B_7 0.9700 . ?
N22_7 C23_7 1.4653 . ?
N22_7 C24_7 1.4758 . ?
C23_7 H23A_7 0.9600 . ?
C23_7 H23B_7 0.9600 . ?
C23_7 H23C_7 0.9600 . ?
C24_7 H24A_7 0.9600 . ?
C24_7 H24B_7 0.9600 . ?
C24_7 H24C_7 0.9600 . ?
C25_7 N27_7 1.4571 . ?
C25_7 H25A_7 0.9600 . ?
C25_7 H25B_7 0.9600 . ?
C25_7 H25C_7 0.9600 . ?
C26_7 N27_7 1.4534 . ?
C26_7 H26A_7 0.9600 . ?
C26_7 H26B_7 0.9600 . ?
C26_7 H26C_7 0.9600 . ?
N27_7 C28_7 1.4604 . ?
C28_7 C29_7 1.4144 . ?
C28_7 H28A_7 0.9700 . ?
C28_7 H28B_7 0.9700 . ?
C29_7 N30_7 1.4584 . ?
C29_7 H29A_7 0.9700 . ?
C29_7 H29B_7 0.9700 . ?
N30_7 C31_7 1.4662 . ?
N30_7 C32_7 1.4744 . ?
C31_7 H31A_7 0.9600 . ?
C31_7 H31B_7 0.9600 . ?
C31_7 H31C_7 0.9600 . ?
C32_7 H32A_7 0.9600 . ?
C32_7 H32B_7 0.9600 . ?
C32_7 H32C_7 0.9600 . ?
C33_7 N35_7 1.4549 . ?
C33_7 H33A_7 0.9600 . ?
C33_7 H33B_7 0.9600 . ?
C33_7 H33C_7 0.9600 . ?
C34_7 N35_7 1.4618 . ?
C34_7 H34A_7 0.9600 . ?
C34_7 H34B_7 0.9600 . ?
C34_7 H34C_7 0.9600 . ?
N35_7 C36_7 1.4556 . ?
C36_7 C37_7 1.4169 . ?
C36_7 H36A_7 0.9700 . ?
C36_7 H36B_7 0.9700 . ?
C37_7 N38_7 1.4631 . ?
C37_7 H37A_7 0.9700 . ?
C37_7 H37B_7 0.9700 . ?
N38_7 C40_7 1.4569 . ?
N38_7 C39_7 1.4603 . ?
C39_7 H39A_7 0.9600 . ?
C39_7 H39B_7 0.9600 . ?
C39_7 H39C_7 0.9600 . ?
C40_7 H40A_7 0.9600 . ?
C40_7 H40B_7 0.9600 . ?
C40_7 H40C_7 0.9600 . ?
C41_7 N43_7 1.4687 . ?
C41_7 H41A_7 0.9600 . ?
C41_7 H41B_7 0.9600 . ?
C41_7 H41C_7 0.9600 . ?
C42_7 N43_7 1.4607 . ?
C42_7 H42A_7 0.9599 . ?
C42_7 H42B_7 0.9599 . ?
C42_7 H42C_7 0.9598 . ?
N43_7 C44_7 1.4628 . ?
C44_7 C45_7 1.4122 . ?
C44_7 H44A_7 0.9700 . ?
C44_7 H44B_7 0.9700 . ?
C45_7 N46_7 1.4575 . ?
C45_7 H45A_7 0.9700 . ?
C45_7 H45B_7 0.9700 . ?
N46_7 C47_7 1.4658 . ?
N46_7 C48_7 1.4695 . ?
C47_7 H47A_7 0.9600 . ?
C47_7 H47B_7 0.9600 . ?
C47_7 H47C_7 0.9600 . ?
C48_7 H48A_7 0.9600 . ?
C48_7 H48B_7 0.9600 . ?
C48_7 H48C_7 0.9600 . ?
C49_7 N51_7 1.4591 . ?
C49_7 H49A_7 0.9600 . ?
C49_7 H49B_7 0.9600 . ?
C49_7 H49C_7 0.9600 . ?
C50_7 N51_7 1.4650 . ?
C50_7 H50A_7 0.9600 . ?
C50_7 H50B_7 0.9600 . ?
C50_7 H50C_7 0.9600 . ?
N51_7 C52_7 1.4595 . ?
C52_7 C53_7 1.4163 . ?
C52_7 H52A_7 0.9700 . ?
C52_7 H52B_7 0.9700 . ?
C53_7 N54_7 1.4642 . ?
C53_7 H53A_7 0.9700 . ?
C53_7 H53B_7 0.9700 . ?
N54_7 C55_7 1.4631 . ?
N54_7 C56_7 1.4717 . ?
C55_7 H55A_7 0.9600 . ?
C55_7 H55B_7 0.9600 . ?
C55_7 H55C_7 0.9600 . ?
C56_7 H56A_7 0.9600 . ?
C56_7 H56B_7 0.9600 . ?
C56_7 H56C_7 0.9600 . ?
C57_7 N59_7 1.4619 . ?
C57_7 H57A_7 0.9600 . ?
C57_7 H57B_7 0.9600 . ?
C57_7 H57C_7 0.9600 . ?
C58_7 N59_7 1.4682 . ?
C58_7 H58A_7 0.9600 . ?
C58_7 H58B_7 0.9600 . ?
C58_7 H58C_7 0.9600 . ?
N59_7 C60_7 1.4645 . ?
C60_7 C61_7 1.4177 . ?
C60_7 H60A_7 0.9700 . ?
C60_7 H60B_7 0.9700 . ?
C61_7 N62_7 1.4590 . ?
C61_7 H61A_7 0.9700 . ?
C61_7 H61B_7 0.9700 . ?
N62_7 C63_7 1.4673 . ?
N62_7 C64_7 1.4737 . ?
C63_7 H63A_7 0.9600 . ?
C63_7 H63B_7 0.9600 . ?
C63_7 H63C_7 0.9600 . ?
C64_7 H64A_7 0.9600 . ?
C64_7 H64B_7 0.9600 . ?
C64_7 H64C_7 0.9600 . ?
C65_7 N67_7 1.4626 . ?
C65_7 H65A_7 0.9600 . ?
C65_7 H65B_7 0.9600 . ?
C65_7 H65C_7 0.9600 . ?
C66_7 N67_7 1.4657 . ?
C66_7 H66A_7 0.9600 . ?
C66_7 H66B_7 0.9600 . ?
C66_7 H66C_7 0.9600 . ?
N67_7 C68_7 1.4548 . ?
C68_7 C69_7 1.4166 . ?
C68_7 H68A_7 0.9700 . ?
C68_7 H68B_7 0.9700 . ?
C69_7 N70_7 1.4706 . ?
C69_7 H69A_7 0.9700 . ?
C69_7 H69B_7 0.9700 . ?
N70_7 C71_7 1.4709 . ?
N70_7 C72_7 1.4732 . ?
C71_7 H71A_7 0.9600 . ?
C71_7 H71B_7 0.9600 . ?
C71_7 H71C_7 0.9600 . ?
C72_7 H72A_7 0.9600 . ?
C72_7 H72B_7 0.9600 . ?
C72_7 H72C_7 0.9600 . ?
C73_7 N75_7 1.4694 . ?
C73_7 H73A_7 0.9600 . ?
C73_7 H73B_7 0.9600 . ?
C73_7 H73C_7 0.9600 . ?
C74_7 N75_7 1.4688 . ?
C74_7 H74A_7 0.9600 . ?
C74_7 H74B_7 0.9600 . ?
C74_7 H74C_7 0.9600 . ?
N75_7 C76_7 1.4672 . ?
C76_7 C77_7 1.4152 . ?
C76_7 H76A_7 0.9700 . ?
C76_7 H76B_7 0.9700 . ?
C77_7 N78_7 1.4620 . ?
C77_7 H77A_7 0.9700 . ?
C77_7 H77B_7 0.9700 . ?
N78_7 C80_7 1.4700 . ?
N78_7 C79_7 1.4717 . ?
C79_7 H79A_7 0.9600 . ?
C79_7 H79B_7 0.9600 . ?
C79_7 H79C_7 0.9600 . ?
C80_7 H80A_7 0.9600 . ?
C80_7 H80B_7 0.9600 . ?
C80_7 H80C_7 0.9600 . ?
C81_7 N83_7 1.4653 . ?
C81_7 H81A_7 0.9600 . ?
C81_7 H81B_7 0.9600 . ?
C81_7 H81C_7 0.9600 . ?
C82_7 N83_7 1.4620 . ?
C82_7 H82A_7 0.9600 . ?
C82_7 H82B_7 0.9600 . ?
C82_7 H82C_7 0.9600 . ?
N83_7 C84_7 1.4651 . ?
C84_7 C85_7 1.4261 . ?
C84_7 H84A_7 0.9700 . ?
C84_7 H84B_7 0.9700 . ?
C85_7 N86_7 1.4592 . ?
C85_7 H85A_7 0.9700 . ?
C85_7 H85B_7 0.9700 . ?
N86_7 C88_7 1.4564 . ?
N86_7 C87_7 1.4602 . ?
C87_7 H87A_7 0.9600 . ?
C87_7 H87B_7 0.9600 . ?
C87_7 H87C_7 0.9600 . ?
C88_7 H88A_7 0.9600 . ?
C88_7 H88B_7 0.9600 . ?
C88_7 H88C_7 0.9600 . ?
C89_7 N91_7 1.4755 . ?
C89_7 H89A_7 0.9600 . ?
C89_7 H89B_7 0.9600 . ?
C89_7 H89C_7 0.9599 . ?
C90_7 N91_7 1.4630 . ?
C90_7 H90A_7 0.9601 . ?
C90_7 H90B_7 0.9601 . ?
C90_7 H90C_7 0.9598 . ?
N91_7 C92_7 1.4709 . ?
C92_7 C93_7 1.4095 . ?
C92_7 H92A_7 0.9700 . ?
C92_7 H92B_7 0.9700 . ?
C93_7 N94_7 1.4592 . ?
C93_7 H93A_7 0.9700 . ?
C93_7 H93B_7 0.9700 . ?
N94_7 C96_7 1.4592 . ?
N94_7 C95_7 1.4685 . ?
C95_7 H95A_7 0.9600 . ?
C95_7 H95B_7 0.9600 . ?
C95_7 H95C_7 0.9600 . ?
C96_7 H96A_7 0.9600 . ?
C96_7 H96B_7 0.9600 . ?
C96_7 H96C_7 0.9600 . ?
W1_8 O35_8 1.7061 . ?
W1_8 O29_8 1.8928 . ?
W1_8 O26_8 1.9465 . ?
W1_8 O8_8 1.9504 . ?
W1_8 O37_8 2.0598 . ?
W1_8 O34_8 2.3921 . ?
O1_8 W11_8 1.7079 . ?
Si1_8 O34_8 1.6086 . ?
Si1_8 O12_8 1.6112 . ?
Si1_8 O40_8 1.6146 . ?
Si1_8 O21_8 1.7413 . ?
Si2_8 O80_8 1.5423 . ?
Si2_8 O75_8 1.6016 . ?
Si2_8 O73_8 1.6113 . ?
Si2_8 O74_8 1.6129 . ?
W2_8 O28_8 1.7064 . ?
W2_8 O32_8 1.8385 . ?
W2_8 O24_8 1.8525 . ?
W2_8 O33_8 1.9417 . ?
W2_8 O29_8 1.9631 . ?
W2_8 O34_8 2.3767 . ?
O2_8 W10_8 1.8990 . ?
O2_8 W11_8 1.9733 . ?
W3_8 O25_8 1.6988 . ?
W3_8 O10_8 1.8506 . ?
W3_8 O26_8 1.9142 . ?
W3_8 O23_8 1.9632 . ?
W3_8 O19_8 2.0136 . ?
W3_8 O21_8 2.2978 . ?
O3_8 W11_8 1.9134 . ?
O3_8 W6_8 1.9847 . ?
Si3_8 O120_8 1.5800 . ?
Si3_8 O119_8 1.6306 . ?
Si3_8 O118_8 1.6496 . ?
Si3_8 O116_8 1.6599 . ?
W4_8 O22_8 1.6652 . ?
W4_8 O20_8 1.8356 . ?
W4_8 O27_8 1.8980 . ?
W4_8 O23_8 1.9239 . ?
W4_8 O24_8 1.9304 . ?
W4_8 O21_8 2.3227 . ?
O4_8 W7_8 1.8959 . ?
O4_8 W11_8 1.9122 . ?
W5_8 O18_8 1.6994 . ?
W5_8 O13_8 1.7967 . ?
W5_8 O19_8 1.8633 . ?
W5_8 O16_8 1.9283 . ?
W5_8 O20_8 1.9294 . ?
W5_8 O21_8 2.3182 . ?
O5_8 W11_8 1.8442 . ?
O5_8 W12_8 1.9317 . ?
W6_8 O6_8 1.6443 . ?
W6_8 O8_8 1.8189 . ?
W6_8 O10_8 1.9196 . ?
W6_8 O7_8 1.9375 . ?
W6_8 O12_8 2.3647 . ?
W7_8 O36_8 1.6611 . ?
W7_8 O37_8 1.8154 . ?
W7_8 O33_8 1.9373 . ?
W7_8 O38_8 1.9676 . ?
W7_8 O34_8 2.3657 . ?
O7_8 W10_8 1.9533 . ?
W8_8 O31_8 1.6802 . ?
W8_8 O27_8 1.8778 . ?
W8_8 O17_8 1.9129 . ?
W8_8 O30_8 1.9205 . ?
W8_8 O32_8 1.9585 . ?
W8_8 O40_8 2.4057 . ?
W9_8 O15_8 1.6439 . ?
W9_8 O16_8 1.8876 . ?
W9_8 O17_8 1.8902 . ?
W9_8 O9_8 1.8958 . ?
W9_8 O14_8 1.9118 . ?
W9_8 O40_8 2.3170 . ?
O9_8 W12_8 1.9448 . ?
W10_8 O11_8 1.6882 . ?
W10_8 O14_8 1.8766 . ?
W10_8 O13_8 1.9900 . ?
W10_8 O12_8 2.3602 . ?
W11_8 O12_8 2.3836 . ?
W12_8 O39_8 1.6731 . ?
W12_8 O38_8 1.7691 . ?
W12_8 O30_8 1.9120 . ?
W12_8 O40_8 2.3558 . ?
W13_8 O58_8 1.7215 . ?
W13_8 O60_8 1.8255 . ?
W13_8 O61_8 1.8724 . ?
W13_8 O57_8 1.8958 . ?
W13_8 O59_8 1.8979 . ?
W13_8 O74_8 2.3942 . ?
W14_8 O72_8 1.6811 . ?
W14_8 O76_8 1.8776 . ?
W14_8 O55_8 1.8957 . ?
W14_8 O61_8 1.9029 . ?
W14_8 O68_8 1.9343 . ?
W14_8 O73_8 2.4215 . ?
W15_8 O65_8 1.7261 . ?
W15_8 O68_8 1.8382 . ?
W15_8 O60_8 1.9256 . ?
W15_8 O67_8 1.9406 . ?
W15_8 O66_8 1.9569 . ?
W15_8 O80_8 2.4142 . ?
W16_8 O54_8 1.7227 . ?
W16_8 O52_8 1.8660 . ?
W16_8 O53_8 1.8665 . ?
W16_8 O57_8 1.8799 . ?
W16_8 O56_8 1.9718 . ?
W16_8 O74_8 2.3714 . ?
W17_8 O51_8 1.6957 . ?
W17_8 O50_8 1.8888 . ?
W17_8 O49_8 1.9274 . ?
W17_8 O53_8 1.9364 . ?
W17_8 O55_8 1.9606 . ?
W17_8 O73_8 2.3828 . ?
W18_8 O48_8 1.7054 . ?
W18_8 O45_8 1.8938 . ?
W18_8 O50_8 1.9069 . ?
W18_8 O52_8 1.9213 . ?
W18_8 O47_8 1.9258 . ?
W18_8 O75_8 2.3594 . ?
W19_8 O62_8 1.5407 . ?
W19_8 O56_8 1.8493 . ?
W19_8 O63_8 1.8967 . ?
W19_8 O64_8 1.9163 . ?
W19_8 O59_8 2.0080 . ?
W19_8 O74_8 2.3740 . ?
W20_8 O78_8 1.7550 . ?
W20_8 O63_8 1.8625 . ?
W20_8 O77_8 1.8814 . ?
W20_8 O66_8 2.0070 . ?
W20_8 O70_8 2.0414 . ?
W20_8 O80_8 2.3928 . ?
W21_8 O79_8 1.6663 . ?
W21_8 O64_8 1.8646 . ?
W21_8 O77_8 1.8710 . ?
W21_8 O47_8 1.8833 . ?
W21_8 O43_8 1.9173 . ?
W21_8 O75_8 2.3546 . ?
W22_8 O69_8 1.7143 . ?
W22_8 O70_8 1.8386 . ?
W22_8 O71_8 1.8615 . ?
W22_8 O42_8 1.9163 . ?
W22_8 O67_8 1.9369 . ?
W22_8 O80_8 2.3948 . ?
W23_8 O46_8 1.7056 . ?
W23_8 O71_8 1.8967 . ?
W23_8 O44_8 1.9036 . ?
W23_8 O76_8 1.9375 . ?
W23_8 O49_8 1.9466 . ?
W23_8 O73_8 2.3265 . ?
W24_8 O41_8 1.5992 . ?
W24_8 O42_8 1.8533 . ?
W24_8 O45_8 1.8842 . ?
W24_8 O44_8 1.9048 . ?
W24_8 O43_8 1.9393 . ?
W24_8 O75_8 2.4040 . ?
W25_8 O100_8 1.6256 . ?
W25_8 O99_8 1.8063 . ?
W25_8 O101_8 1.8681 . ?
W25_8 O88_8 1.9127 . ?
W25_8 O98_8 1.9178 . ?
W25_8 O120_8 2.3867 . ?
W26_8 O103_8 1.7071 . ?
W26_8 O82_8 1.9019 . ?
W26_8 O101_8 1.9143 . ?
W26_8 O104_8 1.9224 . ?
W26_8 O102_8 1.9306 . ?
W26_8 O118_8 2.3773 . ?
W27_8 O117_8 1.6896 . ?
W27_8 O102_8 1.8932 . ?
W27_8 O114_8 1.9145 . ?
W27_8 O110_8 1.9391 . ?
W27_8 O99_8 1.9951 . ?
W27_8 O116_8 2.3717 . ?
W28_8 O113_8 1.6864 . ?
W28_8 O115_8 1.8778 . ?
W28_8 O114_8 1.9189 . ?
W28_8 O95_8 1.9305 . ?
W28_8 O111_8 1.9758 . ?
W28_8 O116_8 2.3502 . ?
W29_8 O109_8 1.7355 . ?
W29_8 O110_8 1.8577 . ?
W29_8 O107_8 1.8586 . ?
W29_8 O112_8 1.9104 . ?
W29_8 O111_8 1.9229 . ?
W29_8 O116_8 2.3278 . ?
W30_8 O93_8 1.6869 . ?
W30_8 O95_8 1.8678 . ?
W30_8 O94_8 1.9271 . ?
W30_8 O96_8 1.9589 . ?
W30_8 O91_8 1.9999 . ?
W30_8 O119_8 2.3784 . ?
W31_8 O108_8 1.6994 . ?
W31_8 O112_8 1.8460 . ?
W31_8 O94_8 1.8944 . ?
W31_8 O92_8 1.9205 . ?
W31_8 O106_8 2.0123 . ?
W31_8 O119_8 2.3081 . ?
W32_8 O89_8 1.7048 . ?
W32_8 O87_8 1.8488 . ?
W32_8 O92_8 1.8655 . ?
W32_8 O91_8 1.8734 . ?
W32_8 O84_8 1.9194 . ?
W32_8 O119_8 2.3705 . ?
W33_8 O105_8 1.5718 . ?
W33_8 O106_8 1.7962 . ?
W33_8 O83_8 1.8693 . ?
W33_8 O104_8 1.8936 . ?
W33_8 O107_8 1.9504 . ?
W33_8 O118_8 2.3513 . ?
W34_8 O81_8 1.7014 . ?
W34_8 O85_8 1.8739 . ?
W34_8 O84_8 1.8985 . ?
W34_8 O82_8 1.9241 . ?
W34_8 O83_8 1.9389 . ?
W34_8 O118_8 2.3368 . ?
W35_8 O86_8 1.6493 . ?
W35_8 O85_8 1.9190 . ?
W35_8 O87_8 1.9302 . ?
W35_8 O88_8 1.9323 . ?
W35_8 O90_8 1.9483 . ?
W35_8 O120_8 2.4047 . ?
W36_8 O97_8 1.6569 . ?
W36_8 O96_8 1.8563 . ?
W36_8 O90_8 1.8899 . ?
W36_8 O115_8 1.8915 . ?
W36_8 O98_8 1.9195 . ?
W36_8 O120_8 2.3617 . ?

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
C2_1 N1_1 C6_1 120.0 . . ?
C2_1 N1_1 Pd5_7 118.4 . . ?
C6_1 N1_1 Pd5_7 120.2 . . ?
N1_1 C2_1 C3_1 120.0 . . ?
N1_1 C2_1 H2_1 120.0 . . ?
C3_1 C2_1 H2_1 120.0 . . ?
C4_1 C3_1 C2_1 120.0 . . ?
C4_1 C3_1 H3_1 120.0 . . ?
C2_1 C3_1 H3_1 120.0 . . ?
C7_1 C4_1 C5_1 121.5 . . ?
C7_1 C4_1 C3_1 118.3 . . ?
C5_1 C4_1 C3_1 120.0 . . ?
C6_1 C5_1 C4_1 120.0 . . ?
C6_1 C5_1 H5_1 120.0 . . ?
C4_1 C5_1 H5_1 120.0 . . ?
C5_1 C6_1 N1_1 120.0 . . ?
C5_1 C6_1 H6_1 120.0 . . ?
N1_1 C6_1 H6_1 120.0 . . ?
C4_1 C7_1 N8_1 121.1 . . ?
C4_1 C7_1 N12_1 118.9 . . ?
N8_1 C7_1 N12_1 120.0 . . ?
C9_1 N8_1 C7_1 120.0 . . ?
C22_1 C9_1 N8_1 119.5 . . ?
C22_1 C9_1 N10_1 120.5 . . ?
N8_1 C9_1 N10_1 120.0 . . ?
C9_1 N10_1 C11_1 120.0 . . ?
N10_1 C11_1 N12_1 120.0 . . ?
N10_1 C11_1 C16_1 120.2 . . ?
N12_1 C11_1 C16_1 119.8 . . ?
C11_1 N12_1 C7_1 120.0 . . ?
C14_1 N13_1 C18_1 120.0 . . ?
C14_1 N13_1 Pd6_7 116.2 . . ?
C18_1 N13_1 Pd6_7 123.4 . . ?
C15_1 C14_1 N13_1 120.0 . . ?
C15_1 C14_1 H14_1 120.0 . . ?
N13_1 C14_1 H14_1 120.0 . . ?
C14_1 C15_1 C16_1 120.0 . . ?
C14_1 C15_1 H15_1 120.0 . . ?
C16_1 C15_1 H15_1 120.0 . . ?
C17_1 C16_1 C15_1 120.0 . . ?
C17_1 C16_1 C11_1 117.6 . . ?
C15_1 C16_1 C11_1 122.2 . . ?
C18_1 C17_1 C16_1 120.0 . . ?
C18_1 C17_1 H17_1 120.0 . . ?
C16_1 C17_1 H17_1 120.0 . . ?
C17_1 C18_1 N13_1 120.0 . . ?
C17_1 C18_1 H18_1 120.0 . . ?
N13_1 C18_1 H18_1 120.0 . . ?
C20_1 N19_1 C24_1 120.0 . . ?
C20_1 N19_1 C25_1 121.2 . . ?
C24_1 N19_1 C25_1 118.7 . . ?
N19_1 C20_1 C21_1 120.0 . . ?
N19_1 C20_1 H20_1 120.0 . . ?
C21_1 C20_1 H20_1 120.0 . . ?
C20_1 C21_1 C22_1 120.0 . . ?
C20_1 C21_1 H21_1 120.0 . . ?
C22_1 C21_1 H21_1 120.0 . . ?
C9_1 C22_1 C23_1 117.1 . . ?
C9_1 C22_1 C21_1 122.7 . . ?
C23_1 C22_1 C21_1 120.0 . . ?
C22_1 C23_1 C24_1 120.0 . . ?
C22_1 C23_1 H23_1 120.0 . . ?
C24_1 C23_1 H23_1 120.0 . . ?
C23_1 C24_1 N19_1 120.0 . . ?
C23_1 C24_1 H24_1 120.0 . . ?
N19_1 C24_1 H24_1 120.0 . . ?
C26_1 C25_1 N19_1 114.0 . . ?
C26_1 C25_1 H25A_1 108.8 . . ?
N19_1 C25_1 H25A_1 108.8 . . ?
C26_1 C25_1 H25B_1 108.8 . . ?
N19_1 C25_1 H25B_1 108.8 . . ?
H25A_1 C25_1 H25B_1 107.7 . . ?
C27_1 C26_1 C31_1 120.0 . . ?
C27_1 C26_1 C25_1 123.6 . . ?
C31_1 C26_1 C25_1 116.1 . . ?
C26_1 C27_1 C28_1 120.0 . . ?
C26_1 C27_1 H27_1 120.0 . . ?
C28_1 C27_1 H27_1 120.0 . . ?
C29_1 C28_1 C27_1 120.0 . . ?
C29_1 C28_1 H28_1 120.0 . . ?
C27_1 C28_1 H28_1 120.0 . . ?
C28_1 C29_1 C30_1 120.0 . . ?
C28_1 C29_1 C32_1 114.8 . . ?
C30_1 C29_1 C32_1 124.6 . . ?
C31_1 C30_1 C29_1 120.0 . . ?
C31_1 C30_1 H30_1 120.0 . . ?
C29_1 C30_1 H30_1 120.0 . . ?
C30_1 C31_1 C26_1 120.0 . . ?
C30_1 C31_1 H31_1 120.0 . . ?
C26_1 C31_1 H31_1 120.0 . . ?
C29_1 C32_1 N33_1 106.8 . . ?
C29_1 C32_1 H32A_1 110.4 . . ?
N33_1 C32_1 H32A_1 110.4 . . ?
C29_1 C32_1 H32B_1 110.4 . . ?
N33_1 C32_1 H32B_1 110.4 . . ?
H32A_1 C32_1 H32B_1 108.6 . . ?
C34_1 N33_1 C38_1 120.0 . . ?
C34_1 N33_1 C32_1 116.7 . . ?
C38_1 N33_1 C32_1 123.3 . . ?
C35_1 C34_1 N33_1 120.0 . . ?
C35_1 C34_1 H34_1 120.0 . . ?
N33_1 C34_1 H34_1 120.0 . . ?
C36_1 C35_1 C34_1 120.0 . . ?
C36_1 C35_1 H35_1 120.0 . . ?
C34_1 C35_1 H35_1 120.0 . . ?
C35_1 C36_1 C37_1 120.0 . . ?
C35_1 C36_1 C39_1 121.7 . . ?
C37_1 C36_1 C39_1 118.3 . . ?
C36_1 C37_1 C38_1 120.0 . . ?
C36_1 C37_1 H37_1 120.0 . . ?
C38_1 C37_1 H37_1 120.0 . . ?
C37_1 C38_1 N33_1 120.0 . . ?
C37_1 C38_1 H38_1 120.0 . . ?
N33_1 C38_1 H38_1 120.0 . . ?
N40_1 C39_1 N44_1 125.9 . . ?
N40_1 C39_1 C36_1 112.8 . . ?
N44_1 C39_1 C36_1 121.1 . . ?
C39_1 N40_1 C41_1 119.3 . . ?
C48_1 C41_1 N40_1 122.7 . . ?
C48_1 C41_1 N42_1 123.4 . . ?
N40_1 C41_1 N42_1 113.8 . . ?
C43_1 N42_1 C41_1 123.5 . . ?
N42_1 C43_1 N44_1 124.8 . . ?
N42_1 C43_1 C54_1 120.1 . . ?
N44_1 C43_1 C54_1 112.3 . . ?
C43_1 N44_1 C39_1 112.0 . . ?
C46_1 N45_1 C50_1 120.0 . . ?
C46_1 N45_1 Pd5_7 122.6 . . ?
C50_1 N45_1 Pd5_7 117.2 . . ?
N45_1 C46_1 C47_1 120.0 . . ?
N45_1 C46_1 H46_1 120.0 . . ?
C47_1 C46_1 H46_1 120.0 . . ?
C48_1 C47_1 C46_1 120.0 . . ?
C48_1 C47_1 H47_1 120.0 . . ?
C46_1 C47_1 H47_1 120.0 . . ?
C41_1 C48_1 C47_1 124.4 . . ?
C41_1 C48_1 C49_1 115.5 . . ?
C47_1 C48_1 C49_1 120.0 . . ?
C48_1 C49_1 C50_1 120.0 . . ?
C48_1 C49_1 H49_1 120.0 . . ?
C50_1 C49_1 H49_1 120.0 . . ?
C49_1 C50_1 N45_1 120.0 . . ?
C49_1 C50_1 H50_1 120.0 . . ?
N45_1 C50_1 H50_1 120.0 . . ?
C56_1 N51_1 C52_1 112.8 . . ?
C56_1 N51_1 Pd8_7 127.2 . . ?
C52_1 N51_1 Pd8_7 119.5 . . ?
C53_1 C52_1 N51_1 115.4 . . ?
C53_1 C52_1 H52_1 122.3 . . ?
N51_1 C52_1 H52_1 122.3 . . ?
C54_1 C53_1 C52_1 134.5 . . ?
C54_1 C53_1 H53_1 112.8 . . ?
C52_1 C53_1 H53_1 112.8 . . ?
C53_1 C54_1 C55_1 109.7 . . ?
C53_1 C54_1 C43_1 129.3 . . ?
C55_1 C54_1 C43_1 117.8 . . ?
C54_1 C55_1 C56_1 115.9 . . ?
C54_1 C55_1 H55_1 122.0 . . ?
C56_1 C55_1 H55_1 122.0 . . ?
N51_1 C56_1 C55_1 129.3 . . ?
N51_1 C56_1 H56_1 115.4 . . ?
C55_1 C56_1 H56_1 115.4 . . ?
C2_2 N1_2 C6_2 120.0 . . ?
C2_2 N1_2 Pd8_7 113.9 . . ?
C6_2 N1_2 Pd8_7 126.0 . . ?
N1_2 C2_2 C3_2 120.0 . . ?
N1_2 C2_2 H2_2 120.0 . . ?
C3_2 C2_2 H2_2 120.0 . . ?
C4_2 C3_2 C2_2 120.0 . . ?
C4_2 C3_2 H3_2 120.0 . . ?
C2_2 C3_2 H3_2 120.0 . . ?
C5_2 C4_2 C3_2 120.0 . . ?
C5_2 C4_2 C7_2 116.9 . . ?
C3_2 C4_2 C7_2 123.1 . . ?
C4_2 C5_2 C6_2 120.0 . . ?
C4_2 C5_2 H5_2 120.0 . . ?
C6_2 C5_2 H5_2 120.0 . . ?
C5_2 C6_2 N1_2 120.0 . . ?
C5_2 C6_2 H6_2 120.0 . . ?
N1_2 C6_2 H6_2 120.0 . . ?
N8_2 C7_2 N12_2 131.0 . . ?
N8_2 C7_2 C4_2 118.4 . . ?
N12_2 C7_2 C4_2 108.7 . . ?
C7_2 N8_2 C9_2 112.9 . . ?
N8_2 C9_2 N10_2 124.3 . . ?
N8_2 C9_2 C16_2 118.3 . . ?
N10_2 C9_2 C16_2 117.1 . . ?
C11_2 N10_2 C9_2 107.4 . . ?
N12_2 C11_2 N10_2 134.6 . . ?
N12_2 C11_2 C22_2 114.6 . . ?
N10_2 C11_2 C22_2 110.8 . . ?
C11_2 N12_2 C7_2 108.9 . . ?
C14_2 N13_2 C18_2 120.0 . . ?
C14_2 N13_2 Pd7_7 118.9 . . ?
C18_2 N13_2 Pd7_7 120.5 . . ?
C15_2 C14_2 N13_2 120.0 . . ?
C15_2 C14_2 H14_2 120.0 . . ?
N13_2 C14_2 H14_2 120.0 . . ?
C16_2 C15_2 C14_2 120.0 . . ?
C16_2 C15_2 H15_2 120.0 . . ?
C14_2 C15_2 H15_2 120.0 . . ?
C15_2 C16_2 C17_2 120.0 . . ?
C15_2 C16_2 C9_2 118.7 . . ?
C17_2 C16_2 C9_2 120.3 . . ?
C16_2 C17_2 C18_2 120.0 . . ?
C16_2 C17_2 H17_2 120.0 . . ?
C18_2 C17_2 H17_2 120.0 . . ?
C17_2 C18_2 N13_2 120.0 . . ?
C17_2 C18_2 H18_2 120.0 . . ?
N13_2 C18_2 H18_2 120.0 . . ?
C20_2 N19_2 C24_2 120.0 . . ?
C20_2 N19_2 C25_2 126.8 . . ?
C24_2 N19_2 C25_2 112.6 . . ?
C21_2 C20_2 N19_2 120.0 . . ?
C21_2 C20_2 H20_2 120.0 . . ?
N19_2 C20_2 H20_2 120.0 . . ?
C20_2 C21_2 C22_2 120.0 . . ?
C20_2 C21_2 H21_2 120.0 . . ?
C22_2 C21_2 H21_2 120.0 . . ?
C23_2 C22_2 C21_2 120.0 . . ?
C23_2 C22_2 C11_2 120.9 . . ?
C21_2 C22_2 C11_2 118.9 . . ?
C22_2 C23_2 C24_2 120.0 . . ?
C22_2 C23_2 H23_2 120.0 . . ?
C24_2 C23_2 H23_2 120.0 . . ?
C23_2 C24_2 N19_2 120.0 . . ?
C23_2 C24_2 H24_2 120.0 . . ?
N19_2 C24_2 H24_2 120.0 . . ?
N19_2 C25_2 C26_2 119.9 . . ?
N19_2 C25_2 H25A_2 107.4 . . ?
C26_2 C25_2 H25A_2 107.4 . . ?
N19_2 C25_2 H25B_2 107.4 . . ?
C26_2 C25_2 H25B_2 107.4 . . ?
H25A_2 C25_2 H25B_2 106.9 . . ?
C27_2 C26_2 C31_2 120.0 . . ?
C27_2 C26_2 C25_2 118.2 . . ?
C31_2 C26_2 C25_2 121.0 . . ?
C26_2 C27_2 C28_2 120.0 . . ?
C26_2 C27_2 H27_2 120.0 . . ?
C28_2 C27_2 H27_2 120.0 . . ?
C27_2 C28_2 C29_2 120.0 . . ?
C27_2 C28_2 H28_2 120.0 . . ?
C29_2 C28_2 H28_2 120.0 . . ?
C32_2 C29_2 C30_2 117.8 . . ?
C32_2 C29_2 C28_2 122.1 . . ?
C30_2 C29_2 C28_2 120.0 . . ?
C31_2 C30_2 C29_2 120.0 . . ?
C31_2 C30_2 H30_2 120.0 . . ?
C29_2 C30_2 H30_2 120.0 . . ?
C30_2 C31_2 C26_2 120.0 . . ?
C30_2 C31_2 H31_2 120.0 . . ?
C26_2 C31_2 H31_2 120.0 . . ?
C29_2 C32_2 N33_2 109.5 . . ?
C29_2 C32_2 H32A_2 109.8 . . ?
N33_2 C32_2 H32A_2 109.8 . . ?
C29_2 C32_2 H32B_2 109.8 . . ?
N33_2 C32_2 H32B_2 109.8 . . ?
H32A_2 C32_2 H32B_2 108.2 . . ?
C34_2 N33_2 C38_2 120.0 . . ?
C34_2 N33_2 C32_2 116.1 . . ?
C38_2 N33_2 C32_2 123.5 . . ?
N33_2 C34_2 C35_2 120.0 . . ?
N33_2 C34_2 H34_2 120.0 . . ?
C35_2 C34_2 H34_2 120.0 . . ?
C36_2 C35_2 C34_2 120.0 . . ?
C36_2 C35_2 H35_2 120.0 . . ?
C34_2 C35_2 H35_2 120.0 . . ?
C39_2 C36_2 C37_2 118.4 . . ?
C39_2 C36_2 C35_2 121.6 . . ?
C37_2 C36_2 C35_2 120.0 . . ?
C36_2 C37_2 C38_2 120.0 . . ?
C36_2 C37_2 H37_2 120.0 . . ?
C38_2 C37_2 H37_2 120.0 . . ?
C37_2 C38_2 N33_2 120.0 . . ?
C37_2 C38_2 H38_2 120.0 . . ?
N33_2 C38_2 H38_2 120.0 . . ?
C36_2 C39_2 N44_2 127.9 . . ?
C36_2 C39_2 N40_2 123.7 . . ?
N44_2 C39_2 N40_2 108.3 . . ?
C41_2 N40_2 C39_2 127.0 . . ?
N40_2 C41_2 N42_2 118.9 . . ?
N40_2 C41_2 C54_2 121.3 . . ?
N42_2 C41_2 C54_2 119.5 . . ?
C41_2 N42_2 C43_2 123.2 . . ?
C48_2 C43_2 N44_2 122.6 . . ?
C48_2 C43_2 N42_2 122.9 . . ?
N44_2 C43_2 N42_2 114.4 . . ?
C43_2 N44_2 C39_2 128.1 . . ?
C46_2 N45_2 C50_2 120.0 . . ?
C46_2 N45_2 Pd6_7 120.5 . . ?
C50_2 N45_2 Pd6_7 119.2 . . ?
C47_2 C46_2 N45_2 120.0 . . ?
C47_2 C46_2 H46_2 120.0 . . ?
N45_2 C46_2 H46_2 120.0 . . ?
C46_2 C47_2 C48_2 120.0 . . ?
C46_2 C47_2 H47_2 120.0 . . ?
C48_2 C47_2 H47_2 120.0 . . ?
C43_2 C48_2 C47_2 120.2 . . ?
C43_2 C48_2 C49_2 118.9 . . ?
C47_2 C48_2 C49_2 120.0 . . ?
C50_2 C49_2 C48_2 120.0 . . ?
C50_2 C49_2 H49_2 120.0 . . ?
C48_2 C49_2 H49_2 120.0 . . ?
C49_2 C50_2 N45_2 120.0 . . ?
C49_2 C50_2 H50_2 120.0 . . ?
N45_2 C50_2 H50_2 120.0 . . ?
C52_2 N51_2 C56_2 120.0 . . ?
C52_2 N51_2 Pd7_7 118.0 . . ?
C56_2 N51_2 Pd7_7 120.8 . . ?
C53_2 C52_2 N51_2 120.0 . . ?
C53_2 C52_2 H52_2 120.0 . . ?
N51_2 C52_2 H52_2 120.0 . . ?
C54_2 C53_2 C52_2 120.0 . . ?
C54_2 C53_2 H53_2 120.0 . . ?
C52_2 C53_2 H53_2 120.0 . . ?
C53_2 C54_2 C55_2 120.0 . . ?
C53_2 C54_2 C41_2 124.4 . . ?
C55_2 C54_2 C41_2 115.5 . . ?
C54_2 C55_2 C56_2 120.0 . . ?
C54_2 C55_2 H55_2 120.0 . . ?
C56_2 C55_2 H55_2 120.0 . . ?
C55_2 C56_2 N51_2 120.0 . . ?
C55_2 C56_2 H56_2 120.0 . . ?
N51_2 C56_2 H56_2 120.0 . . ?
C2_3 N1_3 C6_3 120.0 . . ?
C2_3 N1_3 Pd12_7 119.7 . . ?
C6_3 N1_3 Pd12_7 120.3 . . ?
C3_3 C2_3 N1_3 120.0 . . ?
C3_3 C2_3 H2_3 120.0 . . ?
N1_3 C2_3 H2_3 120.0 . . ?
C2_3 C3_3 C4_3 120.0 . . ?
C2_3 C3_3 H3_3 120.0 . . ?
C4_3 C3_3 H3_3 120.0 . . ?
C7_3 C4_3 C5_3 117.7 . . ?
C7_3 C4_3 C3_3 122.3 . . ?
C5_3 C4_3 C3_3 120.0 . . ?
C6_3 C5_3 C4_3 120.0 . . ?
C6_3 C5_3 H5_3 120.0 . . ?
C4_3 C5_3 H5_3 120.0 . . ?
C5_3 C6_3 N1_3 120.0 . . ?
C5_3 C6_3 H6_3 120.0 . . ?
N1_3 C6_3 H6_3 120.0 . . ?
C4_3 C7_3 N8_3 119.1 . . ?
C4_3 C7_3 N12_3 120.4 . . ?
N8_3 C7_3 N12_3 120.0 . . ?
C9_3 N8_3 C7_3 120.0 . . ?
C22_3 C9_3 N8_3 119.4 . . ?
C22_3 C9_3 N10_3 120.5 . . ?
N8_3 C9_3 N10_3 120.0 . . ?
C11_3 N10_3 C9_3 120.0 . . ?
C16_3 C11_3 N10_3 120.0 . . ?
C16_3 C11_3 N12_3 119.7 . . ?
N10_3 C11_3 N12_3 120.0 . . ?
C11_3 N12_3 C7_3 120.0 . . ?
C14_3 N13_3 C18_3 120.0 . . ?
C14_3 N13_3 Pd9_7 118.7 . . ?
C18_3 N13_3 Pd9_7 120.3 . . ?
C15_3 C14_3 N13_3 120.0 . . ?
C15_3 C14_3 H14_3 120.0 . . ?
N13_3 C14_3 H14_3 120.0 . . ?
C14_3 C15_3 C16_3 120.0 . . ?
C14_3 C15_3 H15_3 120.0 . . ?
C16_3 C15_3 H15_3 120.0 . . ?
C11_3 C16_3 C17_3 120.5 . . ?
C11_3 C16_3 C15_3 119.3 . . ?
C17_3 C16_3 C15_3 120.0 . . ?
C16_3 C17_3 C18_3 120.0 . . ?
C16_3 C17_3 H17_3 120.0 . . ?
C18_3 C17_3 H17_3 120.0 . . ?
C17_3 C18_3 N13_3 120.0 . . ?
C17_3 C18_3 H18_3 120.0 . . ?
N13_3 C18_3 H18_3 120.0 . . ?
C20_3 N19_3 C24_3 120.0 . . ?
C20_3 N19_3 C25_3 124.7 . . ?
C24_3 N19_3 C25_3 115.0 . . ?
C21_3 C20_3 N19_3 120.0 . . ?
C21_3 C20_3 H20_3 120.0 . . ?
N19_3 C20_3 H20_3 120.0 . . ?
C20_3 C21_3 C22_3 120.0 . . ?
C20_3 C21_3 H21_3 120.0 . . ?
C22_3 C21_3 H21_3 120.0 . . ?
C9_3 C22_3 C23_3 124.4 . . ?
C9_3 C22_3 C21_3 115.6 . . ?
C23_3 C22_3 C21_3 120.0 . . ?
C22_3 C23_3 C24_3 120.0 . . ?
C22_3 C23_3 H23_3 120.0 . . ?
C24_3 C23_3 H23_3 120.0 . . ?
C23_3 C24_3 N19_3 120.0 . . ?
C23_3 C24_3 H24_3 120.0 . . ?
N19_3 C24_3 H24_3 120.0 . . ?
C26_3 C25_3 N19_3 103.9 . . ?
C26_3 C25_3 H25A_3 111.0 . . ?
N19_3 C25_3 H25A_3 111.0 . . ?
C26_3 C25_3 H25B_3 111.0 . . ?
N19_3 C25_3 H25B_3 111.0 . . ?
H25A_3 C25_3 H25B_3 109.0 . . ?
C25_3 C26_3 C27_3 119.2 . . ?
C25_3 C26_3 C31_3 120.8 . . ?
C27_3 C26_3 C31_3 120.0 . . ?
C26_3 C27_3 C28_3 120.0 . . ?
C26_3 C27_3 H27_3 120.0 . . ?
C28_3 C27_3 H27_3 120.0 . . ?
C29_3 C28_3 C27_3 120.0 . . ?
C29_3 C28_3 H28_3 120.0 . . ?
C27_3 C28_3 H28_3 120.0 . . ?
C28_3 C29_3 C30_3 120.0 . . ?
C28_3 C29_3 C32_3 114.3 . . ?
C30_3 C29_3 C32_3 124.7 . . ?
C31_3 C30_3 C29_3 120.0 . . ?
C31_3 C30_3 H30_3 120.0 . . ?
C29_3 C30_3 H30_3 120.0 . . ?
C30_3 C31_3 C26_3 120.0 . . ?
C30_3 C31_3 H31_3 120.0 . . ?
C26_3 C31_3 H31_3 120.0 . . ?
N33_3 C32_3 C29_3 106.3 . . ?
N33_3 C32_3 H32A_3 110.5 . . ?
C29_3 C32_3 H32A_3 110.5 . . ?
N33_3 C32_3 H32B_3 110.5 . . ?
C29_3 C32_3 H32B_3 110.5 . . ?
H32A_3 C32_3 H32B_3 108.7 . . ?
C34_3 N33_3 C38_3 120.0 . . ?
C34_3 N33_3 C32_3 121.2 . . ?
C38_3 N33_3 C32_3 118.8 . . ?
C35_3 C34_3 N33_3 120.0 . . ?
C35_3 C34_3 H34_3 120.0 . . ?
N33_3 C34_3 H34_3 120.0 . . ?
C36_3 C35_3 C34_3 120.0 . . ?
C36_3 C35_3 H35_3 120.0 . . ?
C34_3 C35_3 H35_3 120.0 . . ?
C35_3 C36_3 C37_3 120.0 . . ?
C35_3 C36_3 C39_3 118.6 . . ?
C37_3 C36_3 C39_3 121.4 . . ?
C38_3 C37_3 C36_3 120.0 . . ?
C38_3 C37_3 H37_3 120.0 . . ?
C36_3 C37_3 H37_3 120.0 . . ?
C37_3 C38_3 N33_3 120.0 . . ?
C37_3 C38_3 H38_3 120.0 . . ?
N33_3 C38_3 H38_3 120.0 . . ?
N40_3 C39_3 N44_3 120.0 . . ?
N40_3 C39_3 C36_3 117.9 . . ?
N44_3 C39_3 C36_3 121.9 . . ?
C41_3 N40_3 C39_3 120.0 . . ?
C54_3 C41_3 N40_3 116.4 . . ?
C54_3 C41_3 N42_3 123.2 . . ?
N40_3 C41_3 N42_3 120.0 . . ?
C43_3 N42_3 C41_3 120.0 . . ?
C48_3 C43_3 N42_3 121.3 . . ?
C48_3 C43_3 N44_3 118.7 . . ?
N42_3 C43_3 N44_3 120.0 . . ?
C43_3 N44_3 C39_3 120.0 . . ?
C46_3 N45_3 C50_3 120.0 . . ?
C46_3 N45_3 Pd9_7 117.8 . . ?
C50_3 N45_3 Pd9_7 120.7 . . ?
C47_3 C46_3 N45_3 120.0 . . ?
C47_3 C46_3 H46_3 120.0 . . ?
N45_3 C46_3 H46_3 120.0 . . ?
C46_3 C47_3 C48_3 120.0 . . ?
C46_3 C47_3 H47_3 120.0 . . ?
C48_3 C47_3 H47_3 120.0 . . ?
C43_3 C48_3 C49_3 121.5 . . ?
C43_3 C48_3 C47_3 118.4 . . ?
C49_3 C48_3 C47_3 120.0 . . ?
C50_3 C49_3 C48_3 120.0 . . ?
C50_3 C49_3 H49_3 120.0 . . ?
C48_3 C49_3 H49_3 120.0 . . ?
C49_3 C50_3 N45_3 120.0 . . ?
C49_3 C50_3 H50_3 120.0 . . ?
N45_3 C50_3 H50_3 120.0 . . ?
C52_3 N51_3 C56_3 120.0 . . ?
C52_3 N51_3 Pd10_7 112.3 . . ?
C56_3 N51_3 Pd10_7 127.7 . . ?
C53_3 C52_3 N51_3 120.0 . . ?
C53_3 C52_3 H52_3 120.0 . . ?
N51_3 C52_3 H52_3 120.0 . . ?
C54_3 C53_3 C52_3 120.0 . . ?
C54_3 C53_3 H53_3 120.0 . . ?
C52_3 C53_3 H53_3 120.0 . . ?
C41_3 C54_3 C53_3 120.5 . . ?
C41_3 C54_3 C55_3 119.3 . . ?
C53_3 C54_3 C55_3 120.0 . . ?
C56_3 C55_3 C54_3 120.0 . . ?
C56_3 C55_3 H55_3 120.0 . . ?
C54_3 C55_3 H55_3 120.0 . . ?
C55_3 C56_3 N51_3 120.0 . . ?
C55_3 C56_3 H56_3 120.0 . . ?
N51_3 C56_3 H56_3 120.0 . . ?
C2_4 N1_4 C6_4 120.0 . . ?
C2_4 N1_4 Pd10_7 117.3 . . ?
C6_4 N1_4 Pd10_7 121.3 . . ?
N1_4 C2_4 C3_4 120.0 . . ?
N1_4 C2_4 H2_4 120.0 . . ?
C3_4 C2_4 H2_4 120.0 . . ?
C4_4 C3_4 C2_4 120.0 . . ?
C4_4 C3_4 H3_4 120.0 . . ?
C2_4 C3_4 H3_4 120.0 . . ?
C7_4 C4_4 C3_4 114.5 . . ?
C7_4 C4_4 C5_4 125.3 . . ?
C3_4 C4_4 C5_4 120.0 . . ?
C4_4 C5_4 C6_4 120.0 . . ?
C4_4 C5_4 H5_4 120.0 . . ?
C6_4 C5_4 H5_4 120.0 . . ?
C5_4 C6_4 N1_4 120.0 . . ?
C5_4 C6_4 H6_4 120.0 . . ?
N1_4 C6_4 H6_4 120.0 . . ?
C4_4 C7_4 N8_4 125.4 . . ?
C4_4 C7_4 N12_4 114.6 . . ?
N8_4 C7_4 N12_4 120.0 . . ?
C7_4 N8_4 C9_4 120.0 . . ?
C22_4 C9_4 N8_4 119.0 . . ?
C22_4 C9_4 N10_4 121.0 . . ?
N8_4 C9_4 N10_4 120.0 . . ?
C11_4 N10_4 C9_4 120.0 . . ?
C16_4 C11_4 N10_4 114.8 . . ?
C16_4 C11_4 N12_4 124.6 . . ?
N10_4 C11_4 N12_4 120.0 . . ?
C11_4 N12_4 C7_4 120.0 . . ?
C18_4 N13_4 C14_4 125.2 . . ?
C18_4 N13_4 Pd11_7 113.1 . . ?
C14_4 N13_4 Pd11_7 120.0 . . ?
C15_4 C14_4 N13_4 112.5 . . ?
C15_4 C14_4 H14_4 123.8 . . ?
N13_4 C14_4 H14_4 123.8 . . ?
C16_4 C15_4 C14_4 129.0 . . ?
C16_4 C15_4 H15_4 115.5 . . ?
C14_4 C15_4 H15_4 115.5 . . ?
C11_4 C16_4 C17_4 124.5 . . ?
C11_4 C16_4 C15_4 125.0 . . ?
C17_4 C16_4 C15_4 110.2 . . ?
C16_4 C17_4 C18_4 129.0 . . ?
C16_4 C17_4 H17_4 115.5 . . ?
C18_4 C17_4 H17_4 115.5 . . ?
N13_4 C18_4 C17_4 113.8 . . ?
N13_4 C18_4 H18_4 123.1 . . ?
C17_4 C18_4 H18_4 123.1 . . ?
C20_4 N19_4 C24_4 120.0 . . ?
C20_4 N19_4 C25_4 114.5 . . ?
C24_4 N19_4 C25_4 124.8 . . ?
C21_4 C20_4 N19_4 120.0 . . ?
C21_4 C20_4 H20_4 120.0 . . ?
N19_4 C20_4 H20_4 120.0 . . ?
C22_4 C21_4 C20_4 120.0 . . ?
C22_4 C21_4 H21_4 120.0 . . ?
C20_4 C21_4 H21_4 120.0 . . ?
C9_4 C22_4 C21_4 117.5 . . ?
C9_4 C22_4 C23_4 122.3 . . ?
C21_4 C22_4 C23_4 120.0 . . ?
C22_4 C23_4 C24_4 120.0 . . ?
C22_4 C23_4 H23_4 120.0 . . ?
C24_4 C23_4 H23_4 120.0 . . ?
C23_4 C24_4 N19_4 120.0 . . ?
C23_4 C24_4 H24_4 120.0 . . ?
N19_4 C24_4 H24_4 120.0 . . ?
C26_4 C25_4 N19_4 112.4 . . ?
C26_4 C25_4 H25A_4 109.1 . . ?
N19_4 C25_4 H25A_4 109.1 . . ?
C26_4 C25_4 H25B_4 109.1 . . ?
N19_4 C25_4 H25B_4 109.1 . . ?
H25A_4 C25_4 H25B_4 107.9 . . ?
C27_4 C26_4 C31_4 120.0 . . ?
C27_4 C26_4 C25_4 120.8 . . ?
C31_4 C26_4 C25_4 118.7 . . ?
C26_4 C27_4 C28_4 120.0 . . ?
C26_4 C27_4 H27_4 120.0 . . ?
C28_4 C27_4 H27_4 120.0 . . ?
C29_4 C28_4 C27_4 120.0 . . ?
C29_4 C28_4 H28_4 120.0 . . ?
C27_4 C28_4 H28_4 120.0 . . ?
C28_4 C29_4 C30_4 120.0 . . ?
C28_4 C29_4 C32_4 120.6 . . ?
C30_4 C29_4 C32_4 118.8 . . ?
C29_4 C30_4 C31_4 120.0 . . ?
C29_4 C30_4 H30_4 120.0 . . ?
C31_4 C30_4 H30_4 120.0 . . ?
C30_4 C31_4 C26_4 120.0 . . ?
C30_4 C31_4 H31_4 120.0 . . ?
C26_4 C31_4 H31_4 120.0 . . ?
C29_4 C32_4 N33_4 112.5 . . ?
C29_4 C32_4 H32A_4 109.1 . . ?
N33_4 C32_4 H32A_4 109.1 . . ?
C29_4 C32_4 H32B_4 109.1 . . ?
N33_4 C32_4 H32B_4 109.1 . . ?
H32A_4 C32_4 H32B_4 107.8 . . ?
C38_4 N33_4 C34_4 118.8 . . ?
C38_4 N33_4 C32_4 123.3 . . ?
C34_4 N33_4 C32_4 117.5 . . ?
N33_4 C34_4 C35_4 116.2 . . ?
N33_4 C34_4 H34_4 121.9 . . ?
C35_4 C34_4 H34_4 121.9 . . ?
C36_4 C35_4 C34_4 126.6 . . ?
C36_4 C35_4 H35_4 116.7 . . ?
C34_4 C35_4 H35_4 116.7 . . ?
C35_4 C36_4 C37_4 115.3 . . ?
C35_4 C36_4 C39_4 126.1 . . ?
C37_4 C36_4 C39_4 118.3 . . ?
C38_4 C37_4 C36_4 116.3 . . ?
C38_4 C37_4 H37_4 121.9 . . ?
C36_4 C37_4 H37_4 121.9 . . ?
N33_4 C38_4 C37_4 126.7 . . ?
N33_4 C38_4 H38_4 116.6 . . ?
C37_4 C38_4 H38_4 116.6 . . ?
N44_4 C39_4 N40_4 124.8 . . ?
N44_4 C39_4 C36_4 115.9 . . ?
N40_4 C39_4 C36_4 118.1 . . ?
C39_4 N40_4 C41_4 117.0 . . ?
N40_4 C41_4 N42_4 119.8 . . ?
N40_4 C41_4 C54_4 120.4 . . ?
N42_4 C41_4 C54_4 119.7 . . ?
C43_4 N42_4 C41_4 119.0 . . ?
N44_4 C43_4 N42_4 120.0 . . ?
N44_4 C43_4 C48_4 118.8 . . ?
N42_4 C43_4 C48_4 121.2 . . ?
C39_4 N44_4 C43_4 117.0 . . ?
C50_4 N45_4 C46_4 120.0 . . ?
C50_4 N45_4 Pd11_7 119.5 . . ?
C46_4 N45_4 Pd11_7 118.3 . . ?
C47_4 C46_4 N45_4 120.0 . . ?
C47_4 C46_4 H46_4 120.0 . . ?
N45_4 C46_4 H46_4 120.0 . . ?
C46_4 C47_4 C48_4 120.0 . . ?
C46_4 C47_4 H47_4 120.0 . . ?
C48_4 C47_4 H47_4 120.0 . . ?
C49_4 C48_4 C47_4 120.0 . . ?
C49_4 C48_4 C43_4 120.7 . . ?
C47_4 C48_4 C43_4 119.3 . . ?
C48_4 C49_4 C50_4 120.0 . . ?
C48_4 C49_4 H49_4 120.0 . . ?
C50_4 C49_4 H49_4 120.0 . . ?
N45_4 C50_4 C49_4 120.0 . . ?
N45_4 C50_4 H50_4 120.0 . . ?
C49_4 C50_4 H50_4 120.0 . . ?
C52_4 N51_4 C56_4 120.0 . . ?
C52_4 N51_4 Pd12_7 118.2 . . ?
C56_4 N51_4 Pd12_7 120.9 . . ?
N51_4 C52_4 C53_4 120.0 . . ?
N51_4 C52_4 H52_4 120.0 . . ?
C53_4 C52_4 H52_4 120.0 . . ?
C54_4 C53_4 C52_4 120.0 . . ?
C54_4 C53_4 H53_4 120.0 . . ?
C52_4 C53_4 H53_4 120.0 . . ?
C53_4 C54_4 C55_4 120.0 . . ?
C53_4 C54_4 C41_4 120.6 . . ?
C55_4 C54_4 C41_4 119.3 . . ?
C54_4 C55_4 C56_4 120.0 . . ?
C54_4 C55_4 H55_4 120.0 . . ?
C56_4 C55_4 H55_4 120.0 . . ?
C55_4 C56_4 N51_4 120.0 . . ?
C55_4 C56_4 H56_4 120.0 . . ?
N51_4 C56_4 H56_4 120.0 . . ?
C2_5 N1_5 C6_5 120.0 . . ?
C2_5 N1_5 Pd3_7 121.5 . . ?
C6_5 N1_5 Pd3_7 118.1 . . ?
N1_5 C2_5 C3_5 120.0 . . ?
N1_5 C2_5 H2_5 120.0 . . ?
C3_5 C2_5 H2_5 120.0 . . ?
C4_5 C3_5 C2_5 120.0 . . ?
C4_5 C3_5 H3_5 120.0 . . ?
C2_5 C3_5 H3_5 120.0 . . ?
C7_5 C4_5 C3_5 118.4 . . ?
C7_5 C4_5 C5_5 121.0 . . ?
C3_5 C4_5 C5_5 120.0 . . ?
C4_5 C5_5 C6_5 120.0 . . ?
C4_5 C5_5 H5_5 120.0 . . ?
C6_5 C5_5 H5_5 120.0 . . ?
C5_5 C6_5 N1_5 120.0 . . ?
C5_5 C6_5 H6_5 120.0 . . ?
N1_5 C6_5 H6_5 120.0 . . ?
C4_5 C7_5 N8_5 120.3 . . ?
C4_5 C7_5 N12_5 119.7 . . ?
N8_5 C7_5 N12_5 120.0 . . ?
C9_5 N8_5 C7_5 120.0 . . ?
N8_5 C9_5 N10_5 120.0 . . ?
N8_5 C9_5 C22_5 122.5 . . ?
N10_5 C9_5 C22_5 117.2 . . ?
C11_5 N10_5 C9_5 120.0 . . ?
N10_5 C11_5 N12_5 120.0 . . ?
N10_5 C11_5 C16_5 110.8 . . ?
N12_5 C11_5 C16_5 129.0 . . ?
C11_5 N12_5 C7_5 120.0 . . ?
C14_5 N13_5 C18_5 120.0 . . ?
C14_5 N13_5 Pd2_7 119.0 . . ?
C18_5 N13_5 Pd2_7 120.8 . . ?
N13_5 C14_5 C15_5 120.0 . . ?
N13_5 C14_5 H14_5 120.0 . . ?
C15_5 C14_5 H14_5 120.0 . . ?
C14_5 C15_5 C16_5 120.0 . . ?
C14_5 C15_5 H15_5 120.0 . . ?
C16_5 C15_5 H15_5 120.0 . . ?
C15_5 C16_5 C17_5 120.0 . . ?
C15_5 C16_5 C11_5 117.4 . . ?
C17_5 C16_5 C11_5 121.6 . . ?
C16_5 C17_5 C18_5 120.0 . . ?
C16_5 C17_5 H17_5 120.0 . . ?
C18_5 C17_5 H17_5 120.0 . . ?
C17_5 C18_5 N13_5 120.0 . . ?
C17_5 C18_5 H18_5 120.0 . . ?
N13_5 C18_5 H18_5 120.0 . . ?
C25_5 N19_5 C20_5 125.6 . . ?
C25_5 N19_5 C24_5 114.4 . . ?
C20_5 N19_5 C24_5 120.0 . . ?
N19_5 C20_5 C21_5 120.0 . . ?
N19_5 C20_5 H20_5 120.0 . . ?
C21_5 C20_5 H20_5 120.0 . . ?
C22_5 C21_5 C20_5 120.0 . . ?
C22_5 C21_5 H21_5 120.0 . . ?
C20_5 C21_5 H21_5 120.0 . . ?
C21_5 C22_5 C23_5 120.0 . . ?
C21_5 C22_5 C9_5 119.6 . . ?
C23_5 C22_5 C9_5 120.3 . . ?
C24_5 C23_5 C22_5 120.0 . . ?
C24_5 C23_5 H23_5 120.0 . . ?
C22_5 C23_5 H23_5 120.0 . . ?
C23_5 C24_5 N19_5 120.0 . . ?
C23_5 C24_5 H24_5 120.0 . . ?
N19_5 C24_5 H24_5 120.0 . . ?
N19_5 C25_5 C26_5 110.4 . . ?
N19_5 C25_5 H25A_5 109.6 . . ?
C26_5 C25_5 H25A_5 109.6 . . ?
N19_5 C25_5 H25B_5 109.6 . . ?
C26_5 C25_5 H25B_5 109.6 . . ?
H25A_5 C25_5 H25B_5 108.1 . . ?
C27_5 C26_5 C31_5 120.0 . . ?
C27_5 C26_5 C25_5 118.2 . . ?
C31_5 C26_5 C25_5 121.2 . . ?
C26_5 C27_5 C28_5 120.0 . . ?
C26_5 C27_5 H27_5 120.0 . . ?
C28_5 C27_5 H27_5 120.0 . . ?
C29_5 C28_5 C27_5 120.0 . . ?
C29_5 C28_5 H28_5 120.0 . . ?
C27_5 C28_5 H28_5 120.0 . . ?
C28_5 C29_5 C30_5 120.0 . . ?
C28_5 C29_5 C32_5 121.7 . . ?
C30_5 C29_5 C32_5 117.8 . . ?
C31_5 C30_5 C29_5 120.0 . . ?
C31_5 C30_5 H30_5 120.0 . . ?
C29_5 C30_5 H30_5 120.0 . . ?
C30_5 C31_5 C26_5 120.0 . . ?
C30_5 C31_5 H31_5 120.0 . . ?
C26_5 C31_5 H31_5 120.0 . . ?
N33_5 C32_5 C29_5 106.7 . . ?
N33_5 C32_5 H32A_5 110.4 . . ?
C29_5 C32_5 H32A_5 110.4 . . ?
N33_5 C32_5 H32B_5 110.4 . . ?
C29_5 C32_5 H32B_5 110.4 . . ?
H32A_5 C32_5 H32B_5 108.6 . . ?
C34_5 N33_5 C38_5 120.0 . . ?
C34_5 N33_5 C32_5 121.5 . . ?
C38_5 N33_5 C32_5 118.4 . . ?
C35_5 C34_5 N33_5 120.0 . . ?
C35_5 C34_5 H34_5 120.0 . . ?
N33_5 C34_5 H34_5 120.0 . . ?
C34_5 C35_5 C36_5 120.0 . . ?
C34_5 C35_5 H35_5 120.0 . . ?
C36_5 C35_5 H35_5 120.0 . . ?
C37_5 C36_5 C35_5 120.0 . . ?
C37_5 C36_5 C39_5 124.3 . . ?
C35_5 C36_5 C39_5 115.4 . . ?
C38_5 C37_5 C36_5 120.0 . . ?
C38_5 C37_5 H37_5 120.0 . . ?
C36_5 C37_5 H37_5 120.0 . . ?
C37_5 C38_5 N33_5 120.0 . . ?
C37_5 C38_5 H38_5 120.0 . . ?
N33_5 C38_5 H38_5 120.0 . . ?
N40_5 C39_5 N44_5 120.0 . . ?
N40_5 C39_5 C36_5 124.5 . . ?
N44_5 C39_5 C36_5 114.5 . . ?
C39_5 N40_5 C41_5 120.0 . . ?
C48_5 C41_5 N40_5 116.2 . . ?
C48_5 C41_5 N42_5 123.2 . . ?
N40_5 C41_5 N42_5 120.0 . . ?
C43_5 N42_5 C41_5 120.0 . . ?
N42_5 C43_5 N44_5 120.0 . . ?
N42_5 C43_5 C54_5 115.5 . . ?
N44_5 C43_5 C54_5 124.4 . . ?
C43_5 N44_5 C39_5 120.0 . . ?
C46_5 N45_5 C50_5 120.0 . . ?
C46_5 N45_5 Pd3_7 120.9 . . ?
C50_5 N45_5 Pd3_7 118.1 . . ?
C47_5 C46_5 N45_5 120.0 . . ?
C47_5 C46_5 H46_5 120.0 . . ?
N45_5 C46_5 H46_5 120.0 . . ?
C46_5 C47_5 C48_5 120.0 . . ?
C46_5 C47_5 H47_5 120.0 . . ?
C48_5 C47_5 H47_5 120.0 . . ?
C41_5 C48_5 C49_5 118.4 . . ?
C41_5 C48_5 C47_5 121.4 . . ?
C49_5 C48_5 C47_5 120.0 . . ?
C48_5 C49_5 C50_5 120.0 . . ?
C48_5 C49_5 H49_5 120.0 . . ?
C50_5 C49_5 H49_5 120.0 . . ?
C49_5 C50_5 N45_5 120.0 . . ?
C49_5 C50_5 H50_5 120.0 . . ?
N45_5 C50_5 H50_5 120.0 . . ?
C52_5 N51_5 C56_5 120.0 . . ?
C52_5 N51_5 Pd4_7 127.1 . . ?
C56_5 N51_5 Pd4_7 112.8 . . ?
C53_5 C52_5 N51_5 120.0 . . ?
C53_5 C52_5 H52_5 120.0 . . ?
N51_5 C52_5 H52_5 120.0 . . ?
C52_5 C53_5 C54_5 120.0 . . ?
C52_5 C53_5 H53_5 120.0 . . ?
C54_5 C53_5 H53_5 120.0 . . ?
C55_5 C54_5 C53_5 120.0 . . ?
C55_5 C54_5 C43_5 124.0 . . ?
C53_5 C54_5 C43_5 116.0 . . ?
C56_5 C55_5 C54_5 120.0 . . ?
C56_5 C55_5 H55_5 120.0 . . ?
C54_5 C55_5 H55_5 120.0 . . ?
C55_5 C56_5 N51_5 120.0 . . ?
C55_5 C56_5 H56_5 120.0 . . ?
N51_5 C56_5 H56_5 120.0 . . ?
C2_6 N1_6 C6_6 120.0 . . ?
C2_6 N1_6 Pd1_7 118.3 . . ?
C6_6 N1_6 Pd1_7 120.0 . . ?
C3_6 C2_6 N1_6 120.0 . . ?
C3_6 C2_6 H2_6 120.0 . . ?
N1_6 C2_6 H2_6 120.0 . . ?
C2_6 C3_6 C4_6 120.0 . . ?
C2_6 C3_6 H3_6 120.0 . . ?
C4_6 C3_6 H3_6 120.0 . . ?
C7_6 C4_6 C5_6 118.4 . . ?
C7_6 C4_6 C3_6 121.4 . . ?
C5_6 C4_6 C3_6 120.0 . . ?
C4_6 C5_6 C6_6 120.0 . . ?
C4_6 C5_6 H5_6 120.0 . . ?
C6_6 C5_6 H5_6 120.0 . . ?
N1_6 C6_6 C5_6 120.0 . . ?
N1_6 C6_6 H6_6 120.0 . . ?
C5_6 C6_6 H6_6 120.0 . . ?
C4_6 C7_6 N8_6 117.1 . . ?
C4_6 C7_6 N12_6 122.7 . . ?
N8_6 C7_6 N12_6 120.0 . . ?
C9_6 N8_6 C7_6 120.0 . . ?
C22_6 C9_6 N8_6 122.7 . . ?
C22_6 C9_6 N10_6 117.1 . . ?
N8_6 C9_6 N10_6 120.0 . . ?
C11_6 N10_6 C9_6 120.0 . . ?
N12_6 C11_6 N10_6 120.0 . . ?
N12_6 C11_6 C16_6 115.0 . . ?
N10_6 C11_6 C16_6 124.9 . . ?
C11_6 N12_6 C7_6 120.0 . . ?
C14_6 N13_6 C18_6 120.0 . . ?
C14_6 N13_6 Pd4_7 121.0 . . ?
C18_6 N13_6 Pd4_7 118.9 . . ?
C15_6 C14_6 N13_6 120.0 . . ?
C15_6 C14_6 H14_6 120.0 . . ?
N13_6 C14_6 H14_6 120.0 . . ?
C14_6 C15_6 C16_6 120.0 . . ?
C14_6 C15_6 H15_6 120.0 . . ?
C16_6 C15_6 H15_6 120.0 . . ?
C15_6 C16_6 C17_6 120.0 . . ?
C15_6 C16_6 C11_6 125.5 . . ?
C17_6 C16_6 C11_6 114.5 . . ?
C18_6 C17_6 C16_6 120.0 . . ?
C18_6 C17_6 H17_6 120.0 . . ?
C16_6 C17_6 H17_6 120.0 . . ?
C17_6 C18_6 N13_6 120.0 . . ?
C17_6 C18_6 H18_6 120.0 . . ?
N13_6 C18_6 H18_6 120.0 . . ?
C20_6 N19_6 C24_6 120.0 . . ?
C20_6 N19_6 C25_6 119.2 . . ?
C24_6 N19_6 C25_6 120.7 . . ?
C21_6 C20_6 N19_6 120.0 . . ?
C21_6 C20_6 H20_6 120.0 . . ?
N19_6 C20_6 H20_6 120.0 . . ?
C22_6 C21_6 C20_6 120.0 . . ?
C22_6 C21_6 H21_6 120.0 . . ?
C20_6 C21_6 H21_6 120.0 . . ?
C9_6 C22_6 C21_6 123.8 . . ?
C9_6 C22_6 C23_6 116.2 . . ?
C21_6 C22_6 C23_6 120.0 . . ?
C24_6 C23_6 C22_6 120.0 . . ?
C24_6 C23_6 H23_6 120.0 . . ?
C22_6 C23_6 H23_6 120.0 . . ?
C23_6 C24_6 N19_6 120.0 . . ?
C23_6 C24_6 H24_6 120.0 . . ?
N19_6 C24_6 H24_6 120.0 . . ?
C26_6 C25_6 N19_6 115.5 . . ?
C26_6 C25_6 H25A_6 108.4 . . ?
N19_6 C25_6 H25A_6 108.4 . . ?
C26_6 C25_6 H25B_6 108.4 . . ?
N19_6 C25_6 H25B_6 108.4 . . ?
H25A_6 C25_6 H25B_6 107.5 . . ?
C27_6 C26_6 C31_6 120.0 . . ?
C27_6 C26_6 C25_6 122.1 . . ?
C31_6 C26_6 C25_6 116.8 . . ?
C26_6 C27_6 C28_6 120.0 . . ?
C26_6 C27_6 H27_6 120.0 . . ?
C28_6 C27_6 H27_6 120.0 . . ?
C29_6 C28_6 C27_6 120.0 . . ?
C29_6 C28_6 H28_6 120.0 . . ?
C27_6 C28_6 H28_6 120.0 . . ?
C28_6 C29_6 C30_6 120.0 . . ?
C28_6 C29_6 C32_6 121.6 . . ?
C30_6 C29_6 C32_6 117.9 . . ?
C31_6 C30_6 C29_6 120.0 . . ?
C31_6 C30_6 H30_6 120.0 . . ?
C29_6 C30_6 H30_6 120.0 . . ?
C30_6 C31_6 C26_6 120.0 . . ?
C30_6 C31_6 H31_6 120.0 . . ?
C26_6 C31_6 H31_6 120.0 . . ?
C29_6 C32_6 N33_6 112.8 . . ?
C29_6 C32_6 H32A_6 109.0 . . ?
N33_6 C32_6 H32A_6 109.0 . . ?
C29_6 C32_6 H32B_6 109.0 . . ?
N33_6 C32_6 H32B_6 109.0 . . ?
H32A_6 C32_6 H32B_6 107.8 . . ?
C34_6 N33_6 C38_6 121.5 . . ?
C34_6 N33_6 C32_6 116.8 . . ?
C38_6 N33_6 C32_6 121.4 . . ?
C35_6 C34_6 N33_6 119.4 . . ?
C35_6 C34_6 H34_6 120.3 . . ?
N33_6 C34_6 H34_6 120.3 . . ?
C34_6 C35_6 C36_6 115.6 . . ?
C34_6 C35_6 H35_6 122.2 . . ?
C36_6 C35_6 H35_6 122.2 . . ?
C37_6 C36_6 C39_6 128.5 . . ?
C37_6 C36_6 C35_6 122.4 . . ?
C39_6 C36_6 C35_6 108.6 . . ?
C38_6 C37_6 C36_6 122.0 . . ?
C38_6 C37_6 H37_6 119.0 . . ?
C36_6 C37_6 H37_6 119.0 . . ?
C37_6 C38_6 N33_6 118.5 . . ?
C37_6 C38_6 H38_6 120.7 . . ?
N33_6 C38_6 H38_6 120.7 . . ?
N40_6 C39_6 N44_6 120.0 . . ?
N40_6 C39_6 C36_6 123.3 . . ?
N44_6 C39_6 C36_6 116.3 . . ?
C39_6 N40_6 C41_6 120.0 . . ?
C54_6 C41_6 N42_6 123.7 . . ?
C54_6 C41_6 N40_6 116.1 . . ?
N42_6 C41_6 N40_6 120.0 . . ?
C43_6 N42_6 C41_6 120.0 . . ?
N42_6 C43_6 N44_6 120.0 . . ?
N42_6 C43_6 C48_6 121.0 . . ?
N44_6 C43_6 C48_6 119.0 . . ?
C43_6 N44_6 C39_6 120.0 . . ?
C46_6 N45_6 C50_6 120.0 . . ?
C46_6 N45_6 Pd2_7 116.6 . . ?
C50_6 N45_6 Pd2_7 122.5 . . ?
N45_6 C46_6 C47_6 120.0 . . ?
N45_6 C46_6 H46_6 120.0 . . ?
C47_6 C46_6 H46_6 120.0 . . ?
C48_6 C47_6 C46_6 120.0 . . ?
C48_6 C47_6 H47_6 120.0 . . ?
C46_6 C47_6 H47_6 120.0 . . ?
C49_6 C48_6 C47_6 120.0 . . ?
C49_6 C48_6 C43_6 118.2 . . ?
C47_6 C48_6 C43_6 121.8 . . ?
C48_6 C49_6 C50_6 120.0 . . ?
C48_6 C49_6 H49_6 120.0 . . ?
C50_6 C49_6 H49_6 120.0 . . ?
C49_6 C50_6 N45_6 120.0 . . ?
C49_6 C50_6 H50_6 120.0 . . ?
N45_6 C50_6 H50_6 120.0 . . ?
C52_6 N51_6 C56_6 120.0 . . ?
C52_6 N51_6 Pd1_7 114.2 . . ?
C56_6 N51_6 Pd1_7 125.1 . . ?
C53_6 C52_6 N51_6 120.0 . . ?
C53_6 C52_6 H52_6 120.0 . . ?
N51_6 C52_6 H52_6 120.0 . . ?
C54_6 C53_6 C52_6 120.0 . . ?
C54_6 C53_6 H53_6 120.0 . . ?
C52_6 C53_6 H53_6 120.0 . . ?
C41_6 C54_6 C53_6 120.7 . . ?
C41_6 C54_6 C55_6 119.2 . . ?
C53_6 C54_6 C55_6 120.0 . . ?
C56_6 C55_6 C54_6 120.0 . . ?
C56_6 C55_6 H55_6 120.0 . . ?
C54_6 C55_6 H55_6 120.0 . . ?
C55_6 C56_6 N51_6 120.0 . . ?
C55_6 C56_6 H56_6 120.0 . . ?
N51_6 C56_6 H56_6 120.0 . . ?
N6_7 Pd1_7 N51_6 177.9 . . ?
N6_7 Pd1_7 N1_6 95.0 . . ?
N51_6 Pd1_7 N1_6 86.1 . . ?
N6_7 Pd1_7 N3_7 85.0 . . ?
N51_6 Pd1_7 N3_7 93.8 . . ?
N1_6 Pd1_7 N3_7 178.7 . . ?
N11_7 Pd2_7 N13_5 175.3 . . ?
N11_7 Pd2_7 N45_6 95.8 . . ?
N13_5 Pd2_7 N45_6 86.7 . . ?
N11_7 Pd2_7 N14_7 84.3 . . ?
N13_5 Pd2_7 N14_7 93.1 . . ?
N45_6 Pd2_7 N14_7 178.1 . . ?
N45_5 Pd3_7 N19_7 176.9 . . ?
N45_5 Pd3_7 N22_7 88.8 . . ?
N19_7 Pd3_7 N22_7 88.1 . . ?
N45_5 Pd3_7 N1_5 83.5 . . ?
N19_7 Pd3_7 N1_5 99.6 . . ?
N22_7 Pd3_7 N1_5 170.8 . . ?
N51_5 Pd4_7 N13_6 76.5 . . ?
N51_5 Pd4_7 N27_7 176.4 . . ?
N13_6 Pd4_7 N27_7 101.0 . . ?
N51_5 Pd4_7 N30_7 101.4 . . ?
N13_6 Pd4_7 N30_7 177.1 . . ?
N27_7 Pd4_7 N30_7 81.2 . . ?
N35_7 Pd5_7 N1_1 173.0 . . ?
N35_7 Pd5_7 N45_1 95.9 . . ?
N1_1 Pd5_7 N45_1 84.1 . . ?
N35_7 Pd5_7 N38_7 84.6 . . ?
N1_1 Pd5_7 N38_7 94.8 . . ?
N45_1 Pd5_7 N38_7 176.0 . . ?
N13_1 Pd6_7 N43_7 94.1 . . ?
N13_1 Pd6_7 N45_2 86.8 . . ?
N43_7 Pd6_7 N45_2 178.8 . . ?
N13_1 Pd6_7 N46_7 176.8 . . ?
N43_7 Pd6_7 N46_7 82.7 . . ?
N45_2 Pd6_7 N46_7 96.3 . . ?
N51_2 Pd7_7 N13_2 85.1 . . ?
N51_2 Pd7_7 N54_7 171.2 . . ?
N13_2 Pd7_7 N54_7 100.8 . . ?
N51_2 Pd7_7 N51_7 90.5 . . ?
N13_2 Pd7_7 N51_7 175.5 . . ?
N54_7 Pd7_7 N51_7 83.7 . . ?
N51_2 Pd7_7 C56_7 155.1 . . ?
N13_2 Pd7_7 C56_7 83.2 . . ?
N54_7 Pd7_7 C56_7 33.5 . . ?
N51_7 Pd7_7 C56_7 100.5 . . ?
N51_1 Pd8_7 N59_7 175.4 . . ?
N51_1 Pd8_7 N1_2 87.4 . . ?
N59_7 Pd8_7 N1_2 91.9 . . ?
N51_1 Pd8_7 N62_7 95.6 . . ?
N59_7 Pd8_7 N62_7 85.0 . . ?
N1_2 Pd8_7 N62_7 176.5 . . ?
N70_7 Pd9_7 N67_7 88.3 . . ?
N70_7 Pd9_7 N45_3 95.6 . . ?
N67_7 Pd9_7 N45_3 176.1 . . ?
N70_7 Pd9_7 N13_3 174.8 . . ?
N67_7 Pd9_7 N13_3 90.7 . . ?
N45_3 Pd9_7 N13_3 85.4 . . ?
N75_7 Pd10_7 N1_4 174.4 . . ?
N75_7 Pd10_7 N78_7 85.2 . . ?
N1_4 Pd10_7 N78_7 96.7 . . ?
N75_7 Pd10_7 N51_3 94.4 . . ?
N1_4 Pd10_7 N51_3 84.1 . . ?
N78_7 Pd10_7 N51_3 176.1 . . ?
N83_7 Pd11_7 N13_4 92.2 . . ?
N83_7 Pd11_7 N86_7 85.3 . . ?
N13_4 Pd11_7 N86_7 177.5 . . ?
N83_7 Pd11_7 N45_4 175.8 . . ?
N13_4 Pd11_7 N45_4 87.4 . . ?
N86_7 Pd11_7 N45_4 95.0 . . ?
N91_7 Pd12_7 N51_4 91.4 . . ?
N91_7 Pd12_7 N1_3 178.2 . . ?
N51_4 Pd12_7 N1_3 86.8 . . ?
N91_7 Pd12_7 N94_7 85.3 . . ?
N51_4 Pd12_7 N94_7 176.4 . . ?
N1_3 Pd12_7 N94_7 96.6 . . ?
N3_7 C1_7 H1A_7 109.5 . . ?
N3_7 C1_7 H1B_7 109.5 . . ?
H1A_7 C1_7 H1B_7 109.5 . . ?
N3_7 C1_7 H1C_7 109.5 . . ?
H1A_7 C1_7 H1C_7 109.5 . . ?
H1B_7 C1_7 H1C_7 109.5 . . ?
N3_7 C2_7 H2A_7 109.5 . . ?
N3_7 C2_7 H2B_7 109.5 . . ?
H2A_7 C2_7 H2B_7 109.5 . . ?
N3_7 C2_7 H2C_7 109.5 . . ?
H2A_7 C2_7 H2C_7 109.5 . . ?
H2B_7 C2_7 H2C_7 109.5 . . ?
C4_7 N3_7 C2_7 109.1 . . ?
C4_7 N3_7 C1_7 103.7 . . ?
C2_7 N3_7 C1_7 103.7 . . ?
C4_7 N3_7 Pd1_7 107.7 . . ?
C2_7 N3_7 Pd1_7 117.5 . . ?
C1_7 N3_7 Pd1_7 114.3 . . ?
N3_7 C4_7 C5_7 119.8 . . ?
N3_7 C4_7 H4A_7 107.4 . . ?
C5_7 C4_7 H4A_7 107.4 . . ?
N3_7 C4_7 H4B_7 107.4 . . ?
C5_7 C4_7 H4B_7 107.4 . . ?
H4A_7 C4_7 H4B_7 106.9 . . ?
C4_7 C5_7 N6_7 112.9 . . ?
C4_7 C5_7 H5A_7 109.0 . . ?
N6_7 C5_7 H5A_7 109.0 . . ?
C4_7 C5_7 H5B_7 109.0 . . ?
N6_7 C5_7 H5B_7 109.0 . . ?
H5A_7 C5_7 H5B_7 107.8 . . ?
C5_7 N6_7 C7_7 111.7 . . ?
C5_7 N6_7 C8_7 108.5 . . ?
C7_7 N6_7 C8_7 106.8 . . ?
C5_7 N6_7 Pd1_7 113.4 . . ?
C7_7 N6_7 Pd1_7 110.3 . . ?
C8_7 N6_7 Pd1_7 105.9 . . ?
N6_7 C7_7 H7A_7 109.5 . . ?
N6_7 C7_7 H7B_7 109.5 . . ?
H7A_7 C7_7 H7B_7 109.5 . . ?
N6_7 C7_7 H7C_7 109.5 . . ?
H7A_7 C7_7 H7C_7 109.5 . . ?
H7B_7 C7_7 H7C_7 109.5 . . ?
N6_7 C8_7 H8A_7 109.5 . . ?
N6_7 C8_7 H8B_7 109.5 . . ?
H8A_7 C8_7 H8B_7 109.5 . . ?
N6_7 C8_7 H8C_7 109.5 . . ?
H8A_7 C8_7 H8C_7 109.5 . . ?
H8B_7 C8_7 H8C_7 109.5 . . ?
N11_7 C9_7 H9A_7 109.5 . . ?
N11_7 C9_7 H9B_7 109.5 . . ?
H9A_7 C9_7 H9B_7 109.5 . . ?
N11_7 C9_7 H9C_7 109.5 . . ?
H9A_7 C9_7 H9C_7 109.5 . . ?
H9B_7 C9_7 H9C_7 109.5 . . ?
N11_7 C10_7 H10A_7 109.5 . . ?
N11_7 C10_7 H10B_7 109.5 . . ?
H10A_7 C10_7 H10B_7 109.5 . . ?
N11_7 C10_7 H10C_7 109.5 . . ?
H10A_7 C10_7 H10C_7 109.5 . . ?
H10B_7 C10_7 H10C_7 109.5 . . ?
C12_7 N11_7 C10_7 109.9 . . ?
C12_7 N11_7 C9_7 104.3 . . ?
C10_7 N11_7 C9_7 105.8 . . ?
C12_7 N11_7 Pd2_7 109.8 . . ?
C10_7 N11_7 Pd2_7 109.1 . . ?
C9_7 N11_7 Pd2_7 117.7 . . ?
C13_7 C12_7 N11_7 117.4 . . ?
C13_7 C12_7 H12A_7 108.0 . . ?
N11_7 C12_7 H12A_7 108.0 . . ?
C13_7 C12_7 H12B_7 108.0 . . ?
N11_7 C12_7 H12B_7 108.0 . . ?
H12A_7 C12_7 H12B_7 107.2 . . ?
C12_7 C13_7 N14_7 112.2 . . ?
C12_7 C13_7 H13A_7 109.2 . . ?
N14_7 C13_7 H13A_7 109.2 . . ?
C12_7 C13_7 H13B_7 109.2 . . ?
N14_7 C13_7 H13B_7 109.2 . . ?
H13A_7 C13_7 H13B_7 107.9 . . ?
C15_7 N14_7 C16_7 107.1 . . ?
C15_7 N14_7 C13_7 110.6 . . ?
C16_7 N14_7 C13_7 107.9 . . ?
C15_7 N14_7 Pd2_7 108.0 . . ?
C16_7 N14_7 Pd2_7 113.3 . . ?
C13_7 N14_7 Pd2_7 109.8 . . ?
N14_7 C15_7 H15A_7 109.5 . . ?
N14_7 C15_7 H15B_7 109.5 . . ?
H15A_7 C15_7 H15B_7 109.5 . . ?
N14_7 C15_7 H15C_7 109.5 . . ?
H15A_7 C15_7 H15C_7 109.5 . . ?
H15B_7 C15_7 H15C_7 109.5 . . ?
N14_7 C16_7 H16A_7 109.5 . . ?
N14_7 C16_7 H16B_7 109.5 . . ?
H16A_7 C16_7 H16B_7 109.5 . . ?
N14_7 C16_7 H16C_7 109.5 . . ?
H16A_7 C16_7 H16C_7 109.5 . . ?
H16B_7 C16_7 H16C_7 109.5 . . ?
N19_7 C17_7 H17A_7 109.5 . . ?
N19_7 C17_7 H17B_7 109.5 . . ?
H17A_7 C17_7 H17B_7 109.5 . . ?
N19_7 C17_7 H17C_7 109.5 . . ?
H17A_7 C17_7 H17C_7 109.5 . . ?
H17B_7 C17_7 H17C_7 109.5 . . ?
N19_7 C18_7 H18A_7 109.5 . . ?
N19_7 C18_7 H18B_7 109.5 . . ?
H18A_7 C18_7 H18B_7 109.5 . . ?
N19_7 C18_7 H18C_7 109.5 . . ?
H18A_7 C18_7 H18C_7 109.5 . . ?
H18B_7 C18_7 H18C_7 109.5 . . ?
C20_7 N19_7 C18_7 109.5 . . ?
C20_7 N19_7 C17_7 106.2 . . ?
C18_7 N19_7 C17_7 105.7 . . ?
C20_7 N19_7 Pd3_7 107.3 . . ?
C18_7 N19_7 Pd3_7 113.9 . . ?
C17_7 N19_7 Pd3_7 113.9 . . ?
C21_7 C20_7 N19_7 115.6 . . ?
C21_7 C20_7 H20A_7 108.4 . . ?
N19_7 C20_7 H20A_7 108.4 . . ?
C21_7 C20_7 H20B_7 108.4 . . ?
N19_7 C20_7 H20B_7 108.4 . . ?
H20A_7 C20_7 H20B_7 107.4 . . ?
C20_7 C21_7 N22_7 113.4 . . ?
C20_7 C21_7 H21A_7 108.9 . . ?
N22_7 C21_7 H21A_7 108.9 . . ?
C20_7 C21_7 H21B_7 108.9 . . ?
N22_7 C21_7 H21B_7 108.9 . . ?
H21A_7 C21_7 H21B_7 107.7 . . ?
C21_7 N22_7 C23_7 112.8 . . ?
C21_7 N22_7 C24_7 109.3 . . ?
C23_7 N22_7 C24_7 105.6 . . ?
C21_7 N22_7 Pd3_7 105.7 . . ?
C23_7 N22_7 Pd3_7 112.4 . . ?
C24_7 N22_7 Pd3_7 111.2 . . ?
N22_7 C23_7 H23A_7 109.5 . . ?
N22_7 C23_7 H23B_7 109.5 . . ?
H23A_7 C23_7 H23B_7 109.5 . . ?
N22_7 C23_7 H23C_7 109.5 . . ?
H23A_7 C23_7 H23C_7 109.5 . . ?
H23B_7 C23_7 H23C_7 109.5 . . ?
N22_7 C24_7 H24A_7 109.5 . . ?
N22_7 C24_7 H24B_7 109.5 . . ?
H24A_7 C24_7 H24B_7 109.5 . . ?
N22_7 C24_7 H24C_7 109.5 . . ?
H24A_7 C24_7 H24C_7 109.5 . . ?
H24B_7 C24_7 H24C_7 109.5 . . ?
N27_7 C25_7 H25A_7 109.5 . . ?
N27_7 C25_7 H25B_7 109.5 . . ?
H25A_7 C25_7 H25B_7 109.5 . . ?
N27_7 C25_7 H25C_7 109.5 . . ?
H25A_7 C25_7 H25C_7 109.5 . . ?
H25B_7 C25_7 H25C_7 109.5 . . ?
N27_7 C26_7 H26A_7 109.5 . . ?
N27_7 C26_7 H26B_7 109.5 . . ?
H26A_7 C26_7 H26B_7 109.5 . . ?
N27_7 C26_7 H26C_7 109.5 . . ?
H26A_7 C26_7 H26C_7 109.5 . . ?
H26B_7 C26_7 H26C_7 109.5 . . ?
C26_7 N27_7 C25_7 108.9 . . ?
C26_7 N27_7 C28_7 109.2 . . ?
C25_7 N27_7 C28_7 108.1 . . ?
C26_7 N27_7 Pd4_7 109.4 . . ?
C25_7 N27_7 Pd4_7 108.3 . . ?
C28_7 N27_7 Pd4_7 112.9 . . ?
C29_7 C28_7 N27_7 116.5 . . ?
C29_7 C28_7 H28A_7 108.2 . . ?
N27_7 C28_7 H28A_7 108.2 . . ?
C29_7 C28_7 H28B_7 108.2 . . ?
N27_7 C28_7 H28B_7 108.2 . . ?
H28A_7 C28_7 H28B_7 107.3 . . ?
C28_7 C29_7 N30_7 116.6 . . ?
C28_7 C29_7 H29A_7 108.1 . . ?
N30_7 C29_7 H29A_7 108.1 . . ?
C28_7 C29_7 H29B_7 108.1 . . ?
N30_7 C29_7 H29B_7 108.1 . . ?
H29A_7 C29_7 H29B_7 107.3 . . ?
C29_7 N30_7 C31_7 112.3 . . ?
C29_7 N30_7 C32_7 108.6 . . ?
C31_7 N30_7 C32_7 109.2 . . ?
C29_7 N30_7 Pd4_7 112.5 . . ?
C31_7 N30_7 Pd4_7 107.0 . . ?
C32_7 N30_7 Pd4_7 107.0 . . ?
N30_7 C31_7 H31A_7 109.5 . . ?
N30_7 C31_7 H31B_7 109.5 . . ?
H31A_7 C31_7 H31B_7 109.5 . . ?
N30_7 C31_7 H31C_7 109.5 . . ?
H31A_7 C31_7 H31C_7 109.5 . . ?
H31B_7 C31_7 H31C_7 109.5 . . ?
N30_7 C32_7 H32A_7 109.5 . . ?
N30_7 C32_7 H32B_7 109.5 . . ?
H32A_7 C32_7 H32B_7 109.5 . . ?
N30_7 C32_7 H32C_7 109.5 . . ?
H32A_7 C32_7 H32C_7 109.5 . . ?
H32B_7 C32_7 H32C_7 109.5 . . ?
N35_7 C33_7 H33A_7 109.5 . . ?
N35_7 C33_7 H33B_7 109.5 . . ?
H33A_7 C33_7 H33B_7 109.5 . . ?
N35_7 C33_7 H33C_7 109.5 . . ?
H33A_7 C33_7 H33C_7 109.5 . . ?
H33B_7 C33_7 H33C_7 109.5 . . ?
N35_7 C34_7 H34A_7 109.5 . . ?
N35_7 C34_7 H34B_7 109.5 . . ?
H34A_7 C34_7 H34B_7 109.5 . . ?
N35_7 C34_7 H34C_7 109.5 . . ?
H34A_7 C34_7 H34C_7 109.5 . . ?
H34B_7 C34_7 H34C_7 109.5 . . ?
C33_7 N35_7 C36_7 106.6 . . ?
C33_7 N35_7 C34_7 108.0 . . ?
C36_7 N35_7 C34_7 108.3 . . ?
C33_7 N35_7 Pd5_7 115.7 . . ?
C36_7 N35_7 Pd5_7 109.6 . . ?
C34_7 N35_7 Pd5_7 108.5 . . ?
C37_7 C36_7 N35_7 119.9 . . ?
C37_7 C36_7 H36A_7 107.3 . . ?
N35_7 C36_7 H36A_7 107.3 . . ?
C37_7 C36_7 H36B_7 107.3 . . ?
N35_7 C36_7 H36B_7 107.3 . . ?
H36A_7 C36_7 H36B_7 106.9 . . ?
C36_7 C37_7 N38_7 114.1 . . ?
C36_7 C37_7 H37A_7 108.7 . . ?
N38_7 C37_7 H37A_7 108.7 . . ?
C36_7 C37_7 H37B_7 108.7 . . ?
N38_7 C37_7 H37B_7 108.7 . . ?
H37A_7 C37_7 H37B_7 107.6 . . ?
C40_7 N38_7 C39_7 107.7 . . ?
C40_7 N38_7 C37_7 111.2 . . ?
C39_7 N38_7 C37_7 112.1 . . ?
C40_7 N38_7 Pd5_7 103.4 . . ?
C39_7 N38_7 Pd5_7 111.0 . . ?
C37_7 N38_7 Pd5_7 111.2 . . ?
N38_7 C39_7 H39A_7 109.5 . . ?
N38_7 C39_7 H39B_7 109.5 . . ?
H39A_7 C39_7 H39B_7 109.5 . . ?
N38_7 C39_7 H39C_7 109.5 . . ?
H39A_7 C39_7 H39C_7 109.5 . . ?
H39B_7 C39_7 H39C_7 109.5 . . ?
N38_7 C40_7 H40A_7 109.5 . . ?
N38_7 C40_7 H40B_7 109.5 . . ?
H40A_7 C40_7 H40B_7 109.5 . . ?
N38_7 C40_7 H40C_7 109.5 . . ?
H40A_7 C40_7 H40C_7 109.5 . . ?
H40B_7 C40_7 H40C_7 109.5 . . ?
N43_7 C41_7 H41A_7 109.5 . . ?
N43_7 C41_7 H41B_7 109.5 . . ?
H41A_7 C41_7 H41B_7 109.5 . . ?
N43_7 C41_7 H41C_7 109.5 . . ?
H41A_7 C41_7 H41C_7 109.5 . . ?
H41B_7 C41_7 H41C_7 109.5 . . ?
N43_7 C42_7 H42A_7 109.5 . . ?
N43_7 C42_7 H42B_7 109.5 . . ?
H42A_7 C42_7 H42B_7 109.5 . . ?
N43_7 C42_7 H42C_7 109.5 . . ?
H42A_7 C42_7 H42C_7 109.5 . . ?
H42B_7 C42_7 H42C_7 109.5 . . ?
C42_7 N43_7 C44_7 106.1 . . ?
C42_7 N43_7 C41_7 106.2 . . ?
C44_7 N43_7 C41_7 105.6 . . ?
C42_7 N43_7 Pd6_7 117.5 . . ?
C44_7 N43_7 Pd6_7 112.1 . . ?
C41_7 N43_7 Pd6_7 108.4 . . ?
C45_7 C44_7 N43_7 118.3 . . ?
C45_7 C44_7 H44A_7 107.7 . . ?
N43_7 C44_7 H44A_7 107.7 . . ?
C45_7 C44_7 H44B_7 107.7 . . ?
N43_7 C44_7 H44B_7 107.7 . . ?
H44A_7 C44_7 H44B_7 107.1 . . ?
C44_7 C45_7 N46_7 115.3 . . ?
C44_7 C45_7 H45A_7 108.5 . . ?
N46_7 C45_7 H45A_7 108.5 . . ?
C44_7 C45_7 H45B_7 108.5 . . ?
N46_7 C45_7 H45B_7 108.5 . . ?
H45A_7 C45_7 H45B_7 107.5 . . ?
C45_7 N46_7 C47_7 110.8 . . ?
C45_7 N46_7 C48_7 109.5 . . ?
C47_7 N46_7 C48_7 108.7 . . ?
C45_7 N46_7 Pd6_7 111.6 . . ?
C47_7 N46_7 Pd6_7 114.4 . . ?
C48_7 N46_7 Pd6_7 101.4 . . ?
N46_7 C47_7 H47A_7 109.5 . . ?
N46_7 C47_7 H47B_7 109.5 . . ?
H47A_7 C47_7 H47B_7 109.5 . . ?
N46_7 C47_7 H47C_7 109.5 . . ?
H47A_7 C47_7 H47C_7 109.5 . . ?
H47B_7 C47_7 H47C_7 109.5 . . ?
N46_7 C48_7 H48A_7 109.5 . . ?
N46_7 C48_7 H48B_7 109.5 . . ?
H48A_7 C48_7 H48B_7 109.5 . . ?
N46_7 C48_7 H48C_7 109.5 . . ?
H48A_7 C48_7 H48C_7 109.5 . . ?
H48B_7 C48_7 H48C_7 109.5 . . ?
N51_7 C49_7 H49A_7 109.5 . . ?
N51_7 C49_7 H49B_7 109.5 . . ?
H49A_7 C49_7 H49B_7 109.5 . . ?
N51_7 C49_7 H49C_7 109.5 . . ?
H49A_7 C49_7 H49C_7 109.5 . . ?
H49B_7 C49_7 H49C_7 109.5 . . ?
N51_7 C50_7 H50A_7 109.5 . . ?
N51_7 C50_7 H50B_7 109.5 . . ?
H50A_7 C50_7 H50B_7 109.5 . . ?
N51_7 C50_7 H50C_7 109.5 . . ?
H50A_7 C50_7 H50C_7 109.5 . . ?
H50B_7 C50_7 H50C_7 109.5 . . ?
C49_7 N51_7 C52_7 104.7 . . ?
C49_7 N51_7 C50_7 109.0 . . ?
C52_7 N51_7 C50_7 108.2 . . ?
C49_7 N51_7 Pd7_7 120.3 . . ?
C52_7 N51_7 Pd7_7 104.4 . . ?
C50_7 N51_7 Pd7_7 109.4 . . ?
C53_7 C52_7 N51_7 115.8 . . ?
C53_7 C52_7 H52A_7 108.3 . . ?
N51_7 C52_7 H52A_7 108.3 . . ?
C53_7 C52_7 H52B_7 108.3 . . ?
N51_7 C52_7 H52B_7 108.3 . . ?
H52A_7 C52_7 H52B_7 107.4 . . ?
C52_7 C53_7 N54_7 114.6 . . ?
C52_7 C53_7 H53A_7 108.6 . . ?
N54_7 C53_7 H53A_7 108.6 . . ?
C52_7 C53_7 H53B_7 108.6 . . ?
N54_7 C53_7 H53B_7 108.6 . . ?
H53A_7 C53_7 H53B_7 107.6 . . ?
C55_7 N54_7 C53_7 110.0 . . ?
C55_7 N54_7 C56_7 107.3 . . ?
C53_7 N54_7 C56_7 110.7 . . ?
C55_7 N54_7 Pd7_7 116.4 . . ?
C53_7 N54_7 Pd7_7 112.9 . . ?
C56_7 N54_7 Pd7_7 99.0 . . ?
N54_7 C55_7 H55A_7 109.5 . . ?
N54_7 C55_7 H55B_7 109.5 . . ?
H55A_7 C55_7 H55B_7 109.5 . . ?
N54_7 C55_7 H55C_7 109.5 . . ?
H55A_7 C55_7 H55C_7 109.5 . . ?
H55B_7 C55_7 H55C_7 109.5 . . ?
N54_7 C56_7 Pd7_7 47.6 . . ?
N54_7 C56_7 H56A_7 109.5 . . ?
Pd7_7 C56_7 H56A_7 98.4 . . ?
N54_7 C56_7 H56B_7 109.5 . . ?
Pd7_7 C56_7 H56B_7 70.4 . . ?
H56A_7 C56_7 H56B_7 109.5 . . ?
N54_7 C56_7 H56C_7 109.5 . . ?
Pd7_7 C56_7 H56C_7 149.6 . . ?
H56A_7 C56_7 H56C_7 109.5 . . ?
H56B_7 C56_7 H56C_7 109.5 . . ?
N59_7 C57_7 H57A_7 109.5 . . ?
N59_7 C57_7 H57B_7 109.5 . . ?
H57A_7 C57_7 H57B_7 109.5 . . ?
N59_7 C57_7 H57C_7 109.5 . . ?
H57A_7 C57_7 H57C_7 109.5 . . ?
H57B_7 C57_7 H57C_7 109.5 . . ?
N59_7 C58_7 H58A_7 109.5 . . ?
N59_7 C58_7 H58B_7 109.5 . . ?
H58A_7 C58_7 H58B_7 109.5 . . ?
N59_7 C58_7 H58C_7 109.5 . . ?
H58A_7 C58_7 H58C_7 109.5 . . ?
H58B_7 C58_7 H58C_7 109.5 . . ?
C57_7 N59_7 C60_7 106.8 . . ?
C57_7 N59_7 C58_7 106.2 . . ?
C60_7 N59_7 C58_7 107.5 . . ?
C57_7 N59_7 Pd8_7 111.9 . . ?
C60_7 N59_7 Pd8_7 109.3 . . ?
C58_7 N59_7 Pd8_7 114.7 . . ?
C61_7 C60_7 N59_7 118.5 . . ?
C61_7 C60_7 H60A_7 107.7 . . ?
N59_7 C60_7 H60A_7 107.7 . . ?
C61_7 C60_7 H60B_7 107.7 . . ?
N59_7 C60_7 H60B_7 107.7 . . ?
H60A_7 C60_7 H60B_7 107.1 . . ?
C60_7 C61_7 N62_7 113.8 . . ?
C60_7 C61_7 H61A_7 108.8 . . ?
N62_7 C61_7 H61A_7 108.8 . . ?
C60_7 C61_7 H61B_7 108.8 . . ?
N62_7 C61_7 H61B_7 108.8 . . ?
H61A_7 C61_7 H61B_7 107.7 . . ?
C61_7 N62_7 C63_7 110.8 . . ?
C61_7 N62_7 C64_7 113.3 . . ?
C63_7 N62_7 C64_7 106.3 . . ?
C61_7 N62_7 Pd8_7 109.6 . . ?
C63_7 N62_7 Pd8_7 106.6 . . ?
C64_7 N62_7 Pd8_7 110.0 . . ?
N62_7 C63_7 H63A_7 109.5 . . ?
N62_7 C63_7 H63B_7 109.5 . . ?
H63A_7 C63_7 H63B_7 109.5 . . ?
N62_7 C63_7 H63C_7 109.5 . . ?
H63A_7 C63_7 H63C_7 109.5 . . ?
H63B_7 C63_7 H63C_7 109.5 . . ?
N62_7 C64_7 H64A_7 109.5 . . ?
N62_7 C64_7 H64B_7 109.5 . . ?
H64A_7 C64_7 H64B_7 109.5 . . ?
N62_7 C64_7 H64C_7 109.5 . . ?
H64A_7 C64_7 H64C_7 109.5 . . ?
H64B_7 C64_7 H64C_7 109.5 . . ?
N67_7 C65_7 H65A_7 109.5 . . ?
N67_7 C65_7 H65B_7 109.5 . . ?
H65A_7 C65_7 H65B_7 109.5 . . ?
N67_7 C65_7 H65C_7 109.5 . . ?
H65A_7 C65_7 H65C_7 109.5 . . ?
H65B_7 C65_7 H65C_7 109.5 . . ?
N67_7 C66_7 H66A_7 109.5 . . ?
N67_7 C66_7 H66B_7 109.5 . . ?
H66A_7 C66_7 H66B_7 109.5 . . ?
N67_7 C66_7 H66C_7 109.5 . . ?
H66A_7 C66_7 H66C_7 109.5 . . ?
H66B_7 C66_7 H66C_7 109.5 . . ?
C68_7 N67_7 C65_7 106.6 . . ?
C68_7 N67_7 C66_7 110.1 . . ?
C65_7 N67_7 C66_7 105.8 . . ?
C68_7 N67_7 Pd9_7 105.3 . . ?
C65_7 N67_7 Pd9_7 108.0 . . ?
C66_7 N67_7 Pd9_7 120.3 . . ?
C69_7 C68_7 N67_7 120.2 . . ?
C69_7 C68_7 H68A_7 107.3 . . ?
N67_7 C68_7 H68A_7 107.3 . . ?
C69_7 C68_7 H68B_7 107.3 . . ?
N67_7 C68_7 H68B_7 107.3 . . ?
H68A_7 C68_7 H68B_7 106.9 . . ?
C68_7 C69_7 N70_7 113.0 . . ?
C68_7 C69_7 H69A_7 109.0 . . ?
N70_7 C69_7 H69A_7 109.0 . . ?
C68_7 C69_7 H69B_7 109.0 . . ?
N70_7 C69_7 H69B_7 109.0 . . ?
H69A_7 C69_7 H69B_7 107.8 . . ?
C69_7 N70_7 C71_7 109.2 . . ?
C69_7 N70_7 C72_7 109.0 . . ?
C71_7 N70_7 C72_7 107.2 . . ?
C69_7 N70_7 Pd9_7 109.5 . . ?
C71_7 N70_7 Pd9_7 120.1 . . ?
C72_7 N70_7 Pd9_7 101.1 . . ?
N70_7 C71_7 H71A_7 109.5 . . ?
N70_7 C71_7 H71B_7 109.5 . . ?
H71A_7 C71_7 H71B_7 109.5 . . ?
N70_7 C71_7 H71C_7 109.5 . . ?
H71A_7 C71_7 H71C_7 109.5 . . ?
H71B_7 C71_7 H71C_7 109.5 . . ?
N70_7 C72_7 H72A_7 109.5 . . ?
N70_7 C72_7 H72B_7 109.5 . . ?
H72A_7 C72_7 H72B_7 109.5 . . ?
N70_7 C72_7 H72C_7 109.5 . . ?
H72A_7 C72_7 H72C_7 109.5 . . ?
H72B_7 C72_7 H72C_7 109.5 . . ?
N75_7 C73_7 H73A_7 109.5 . . ?
N75_7 C73_7 H73B_7 109.5 . . ?
H73A_7 C73_7 H73B_7 109.5 . . ?
N75_7 C73_7 H73C_7 109.5 . . ?
H73A_7 C73_7 H73C_7 109.5 . . ?
H73B_7 C73_7 H73C_7 109.5 . . ?
N75_7 C74_7 H74A_7 109.5 . . ?
N75_7 C74_7 H74B_7 109.5 . . ?
H74A_7 C74_7 H74B_7 109.5 . . ?
N75_7 C74_7 H74C_7 109.5 . . ?
H74A_7 C74_7 H74C_7 109.5 . . ?
H74B_7 C74_7 H74C_7 109.5 . . ?
C76_7 N75_7 C74_7 107.6 . . ?
C76_7 N75_7 C73_7 103.4 . . ?
C74_7 N75_7 C73_7 104.8 . . ?
C76_7 N75_7 Pd10_7 110.7 . . ?
C74_7 N75_7 Pd10_7 114.4 . . ?
C73_7 N75_7 Pd10_7 115.1 . . ?
C77_7 C76_7 N75_7 117.6 . . ?
C77_7 C76_7 H76A_7 107.9 . . ?
N75_7 C76_7 H76A_7 107.9 . . ?
C77_7 C76_7 H76B_7 107.9 . . ?
N75_7 C76_7 H76B_7 107.9 . . ?
H76A_7 C76_7 H76B_7 107.2 . . ?
C76_7 C77_7 N78_7 115.8 . . ?
C76_7 C77_7 H77A_7 108.3 . . ?
N78_7 C77_7 H77A_7 108.3 . . ?
C76_7 C77_7 H77B_7 108.3 . . ?
N78_7 C77_7 H77B_7 108.3 . . ?
H77A_7 C77_7 H77B_7 107.4 . . ?
C77_7 N78_7 C80_7 110.7 . . ?
C77_7 N78_7 C79_7 111.7 . . ?
C80_7 N78_7 C79_7 107.7 . . ?
C77_7 N78_7 Pd10_7 110.0 . . ?
C80_7 N78_7 Pd10_7 109.5 . . ?
C79_7 N78_7 Pd10_7 107.2 . . ?
N78_7 C79_7 H79A_7 109.5 . . ?
N78_7 C79_7 H79B_7 109.5 . . ?
H79A_7 C79_7 H79B_7 109.5 . . ?
N78_7 C79_7 H79C_7 109.5 . . ?
H79A_7 C79_7 H79C_7 109.5 . . ?
H79B_7 C79_7 H79C_7 109.5 . . ?
N78_7 C80_7 H80A_7 109.5 . . ?
N78_7 C80_7 H80B_7 109.5 . . ?
H80A_7 C80_7 H80B_7 109.5 . . ?
N78_7 C80_7 H80C_7 109.5 . . ?
H80A_7 C80_7 H80C_7 109.5 . . ?
H80B_7 C80_7 H80C_7 109.5 . . ?
N83_7 C81_7 H81A_7 109.5 . . ?
N83_7 C81_7 H81B_7 109.5 . . ?
H81A_7 C81_7 H81B_7 109.5 . . ?
N83_7 C81_7 H81C_7 109.5 . . ?
H81A_7 C81_7 H81C_7 109.5 . . ?
H81B_7 C81_7 H81C_7 109.5 . . ?
N83_7 C82_7 H82A_7 109.5 . . ?
N83_7 C82_7 H82B_7 109.5 . . ?
H82A_7 C82_7 H82B_7 109.5 . . ?
N83_7 C82_7 H82C_7 109.5 . . ?
H82A_7 C82_7 H82C_7 109.5 . . ?
H82B_7 C82_7 H82C_7 109.5 . . ?
C82_7 N83_7 C84_7 107.8 . . ?
C82_7 N83_7 C81_7 106.4 . . ?
C84_7 N83_7 C81_7 105.4 . . ?
C82_7 N83_7 Pd11_7 116.9 . . ?
C84_7 N83_7 Pd11_7 106.6 . . ?
C81_7 N83_7 Pd11_7 113.1 . . ?
C85_7 C84_7 N83_7 114.1 . . ?
C85_7 C84_7 H84A_7 108.7 . . ?
N83_7 C84_7 H84A_7 108.7 . . ?
C85_7 C84_7 H84B_7 108.7 . . ?
N83_7 C84_7 H84B_7 108.7 . . ?
H84A_7 C84_7 H84B_7 107.6 . . ?
C84_7 C85_7 N86_7 110.9 . . ?
C84_7 C85_7 H85A_7 109.5 . . ?
N86_7 C85_7 H85A_7 109.5 . . ?
C84_7 C85_7 H85B_7 109.5 . . ?
N86_7 C85_7 H85B_7 109.5 . . ?
H85A_7 C85_7 H85B_7 108.0 . . ?
C88_7 N86_7 C85_7 110.4 . . ?
C88_7 N86_7 C87_7 108.9 . . ?
C85_7 N86_7 C87_7 112.9 . . ?
C88_7 N86_7 Pd11_7 106.5 . . ?
C85_7 N86_7 Pd11_7 107.0 . . ?
C87_7 N86_7 Pd11_7 111.0 . . ?
N86_7 C87_7 H87A_7 109.5 . . ?
N86_7 C87_7 H87B_7 109.5 . . ?
H87A_7 C87_7 H87B_7 109.5 . . ?
N86_7 C87_7 H87C_7 109.5 . . ?
H87A_7 C87_7 H87C_7 109.5 . . ?
H87B_7 C87_7 H87C_7 109.5 . . ?
N86_7 C88_7 H88A_7 109.5 . . ?
N86_7 C88_7 H88B_7 109.5 . . ?
H88A_7 C88_7 H88B_7 109.5 . . ?
N86_7 C88_7 H88C_7 109.5 . . ?
H88A_7 C88_7 H88C_7 109.5 . . ?
H88B_7 C88_7 H88C_7 109.5 . . ?
N91_7 C89_7 H89A_7 109.5 . . ?
N91_7 C89_7 H89B_7 109.5 . . ?
H89A_7 C89_7 H89B_7 109.5 . . ?
N91_7 C89_7 H89C_7 109.5 . . ?
H89A_7 C89_7 H89C_7 109.5 . . ?
H89B_7 C89_7 H89C_7 109.5 . . ?
N91_7 C90_7 H90A_7 109.5 . . ?
N91_7 C90_7 H90B_7 109.5 . . ?
H90A_7 C90_7 H90B_7 109.5 . . ?
N91_7 C90_7 H90C_7 109.5 . . ?
H90A_7 C90_7 H90C_7 109.5 . . ?
H90B_7 C90_7 H90C_7 109.5 . . ?
C90_7 N91_7 C92_7 105.3 . . ?
C90_7 N91_7 C89_7 104.7 . . ?
C92_7 N91_7 C89_7 104.3 . . ?
C90_7 N91_7 Pd12_7 111.3 . . ?
C92_7 N91_7 Pd12_7 109.3 . . ?
C89_7 N91_7 Pd12_7 120.8 . . ?
C93_7 C92_7 N91_7 117.5 . . ?
C93_7 C92_7 H92A_7 107.9 . . ?
N91_7 C92_7 H92A_7 107.9 . . ?
C93_7 C92_7 H92B_7 107.9 . . ?
N91_7 C92_7 H92B_7 107.9 . . ?
H92A_7 C92_7 H92B_7 107.2 . . ?
C92_7 C93_7 N94_7 113.9 . . ?
C92_7 C93_7 H93A_7 108.8 . . ?
N94_7 C93_7 H93A_7 108.8 . . ?
C92_7 C93_7 H93B_7 108.8 . . ?
N94_7 C93_7 H93B_7 108.8 . . ?
H93A_7 C93_7 H93B_7 107.7 . . ?
C96_7 N94_7 C93_7 111.4 . . ?
C96_7 N94_7 C95_7 107.3 . . ?
C93_7 N94_7 C95_7 109.6 . . ?
C96_7 N94_7 Pd12_7 105.7 . . ?
C93_7 N94_7 Pd12_7 108.7 . . ?
C95_7 N94_7 Pd12_7 114.1 . . ?
N94_7 C95_7 H95A_7 109.5 . . ?
N94_7 C95_7 H95B_7 109.5 . . ?
H95A_7 C95_7 H95B_7 109.5 . . ?
N94_7 C95_7 H95C_7 109.5 . . ?
H95A_7 C95_7 H95C_7 109.5 . . ?
H95B_7 C95_7 H95C_7 109.5 . . ?
N94_7 C96_7 H96A_7 109.5 . . ?
N94_7 C96_7 H96B_7 109.5 . . ?
H96A_7 C96_7 H96B_7 109.5 . . ?
N94_7 C96_7 H96C_7 109.5 . . ?
H96A_7 C96_7 H96C_7 109.5 . . ?
H96B_7 C96_7 H96C_7 109.5 . . ?
O35_8 W1_8 O29_8 97.3 . . ?
O35_8 W1_8 O26_8 95.1 . . ?
O29_8 W1_8 O26_8 92.0 . . ?
O35_8 W1_8 O8_8 102.1 . . ?
O29_8 W1_8 O8_8 160.5 . . ?
O26_8 W1_8 O8_8 85.6 . . ?
O35_8 W1_8 O37_8 101.0 . . ?
O29_8 W1_8 O37_8 87.4 . . ?
O26_8 W1_8 O37_8 163.8 . . ?
O8_8 W1_8 O37_8 89.6 . . ?
O35_8 W1_8 O34_8 167.0 . . ?
O29_8 W1_8 O34_8 73.1 . . ?
O26_8 W1_8 O34_8 94.1 . . ?
O8_8 W1_8 O34_8 87.8 . . ?
O37_8 W1_8 O34_8 70.3 . . ?
O34_8 Si1_8 O12_8 109.3 . . ?
O34_8 Si1_8 O40_8 110.6 . . ?
O12_8 Si1_8 O40_8 109.3 . . ?
O34_8 Si1_8 O21_8 108.1 . . ?
O12_8 Si1_8 O21_8 109.0 . . ?
O40_8 Si1_8 O21_8 110.4 . . ?
O80_8 Si2_8 O75_8 109.8 . . ?
O80_8 Si2_8 O73_8 109.6 . . ?
O75_8 Si2_8 O73_8 108.3 . . ?
O80_8 Si2_8 O74_8 109.5 . . ?
O75_8 Si2_8 O74_8 108.5 . . ?
O73_8 Si2_8 O74_8 111.1 . . ?
O28_8 W2_8 O32_8 99.2 . . ?
O28_8 W2_8 O24_8 103.0 . . ?
O32_8 W2_8 O24_8 90.2 . . ?
O28_8 W2_8 O33_8 97.7 . . ?
O32_8 W2_8 O33_8 87.7 . . ?
O24_8 W2_8 O33_8 159.3 . . ?
O28_8 W2_8 O29_8 101.8 . . ?
O32_8 W2_8 O29_8 158.7 . . ?
O24_8 W2_8 O29_8 88.5 . . ?
O33_8 W2_8 O29_8 86.1 . . ?
O28_8 W2_8 O34_8 167.8 . . ?
O32_8 W2_8 O34_8 86.4 . . ?
O24_8 W2_8 O34_8 87.8 . . ?
O33_8 W2_8 O34_8 71.5 . . ?
O29_8 W2_8 O34_8 72.3 . . ?
W10_8 O2_8 W11_8 124.1 . . ?
O25_8 W3_8 O10_8 102.1 . . ?
O25_8 W3_8 O26_8 96.5 . . ?
O10_8 W3_8 O26_8 87.9 . . ?
O25_8 W3_8 O23_8 99.8 . . ?
O10_8 W3_8 O23_8 157.8 . . ?
O26_8 W3_8 O23_8 93.5 . . ?
O25_8 W3_8 O19_8 99.1 . . ?
O10_8 W3_8 O19_8 89.2 . . ?
O26_8 W3_8 O19_8 164.4 . . ?
O23_8 W3_8 O19_8 83.6 . . ?
O25_8 W3_8 O21_8 165.0 . . ?
O10_8 W3_8 O21_8 87.4 . . ?
O26_8 W3_8 O21_8 95.5 . . ?
O23_8 W3_8 O21_8 70.4 . . ?
O19_8 W3_8 O21_8 69.1 . . ?
W11_8 O3_8 W6_8 123.2 . . ?
O120_8 Si3_8 O119_8 111.7 . . ?
O120_8 Si3_8 O118_8 110.5 . . ?
O119_8 Si3_8 O118_8 107.3 . . ?
O120_8 Si3_8 O116_8 109.1 . . ?
O119_8 Si3_8 O116_8 107.2 . . ?
O118_8 Si3_8 O116_8 110.8 . . ?
O22_8 W4_8 O20_8 104.8 . . ?
O22_8 W4_8 O27_8 103.8 . . ?
O20_8 W4_8 O27_8 86.9 . . ?
O22_8 W4_8 O23_8 97.9 . . ?
O20_8 W4_8 O23_8 87.3 . . ?
O27_8 W4_8 O23_8 158.3 . . ?
O22_8 W4_8 O24_8 100.2 . . ?
O20_8 W4_8 O24_8 155.0 . . ?
O27_8 W4_8 O24_8 86.6 . . ?
O23_8 W4_8 O24_8 89.9 . . ?
O22_8 W4_8 O21_8 166.1 . . ?
O20_8 W4_8 O21_8 68.1 . . ?
O27_8 W4_8 O21_8 88.1 . . ?
O23_8 W4_8 O21_8 70.4 . . ?
O24_8 W4_8 O21_8 87.6 . . ?
W7_8 O4_8 W11_8 145.6 . . ?
O18_8 W5_8 O13_8 101.7 . . ?
O18_8 W5_8 O19_8 97.2 . . ?
O13_8 W5_8 O19_8 90.0 . . ?
O18_8 W5_8 O16_8 99.3 . . ?
O13_8 W5_8 O16_8 87.3 . . ?
O19_8 W5_8 O16_8 163.5 . . ?
O18_8 W5_8 O20_8 103.0 . . ?
O13_8 W5_8 O20_8 155.4 . . ?
O19_8 W5_8 O20_8 86.7 . . ?
O16_8 W5_8 O20_8 89.0 . . ?
O18_8 W5_8 O21_8 164.3 . . ?
O13_8 W5_8 O21_8 89.0 . . ?
O19_8 W5_8 O21_8 71.0 . . ?
O16_8 W5_8 O21_8 92.6 . . ?
O20_8 W5_8 O21_8 66.8 . . ?
W11_8 O5_8 W12_8 149.2 . . ?
O6_8 W6_8 O8_8 107.7 . . ?
O6_8 W6_8 O10_8 102.6 . . ?
O8_8 W6_8 O10_8 88.0 . . ?
O6_8 W6_8 O7_8 93.2 . . ?
O8_8 W6_8 O7_8 159.2 . . ?
O10_8 W6_8 O7_8 86.8 . . ?
O6_8 W6_8 O3_8 101.0 . . ?
O8_8 W6_8 O3_8 87.8 . . ?
O10_8 W6_8 O3_8 156.3 . . ?
O7_8 W6_8 O3_8 88.9 . . ?
O6_8 W6_8 O12_8 161.9 . . ?
O8_8 W6_8 O12_8 88.8 . . ?
O10_8 W6_8 O12_8 84.9 . . ?
O7_8 W6_8 O12_8 70.6 . . ?
O3_8 W6_8 O12_8 71.7 . . ?
O36_8 W7_8 O37_8 95.9 . . ?
O36_8 W7_8 O4_8 99.3 . . ?
O37_8 W7_8 O4_8 89.2 . . ?
O36_8 W7_8 O33_8 99.9 . . ?
O37_8 W7_8 O33_8 87.2 . . ?
O4_8 W7_8 O33_8 160.7 . . ?
O36_8 W7_8 O38_8 105.6 . . ?
O37_8 W7_8 O38_8 158.4 . . ?
O4_8 W7_8 O38_8 85.3 . . ?
O33_8 W7_8 O38_8 91.1 . . ?
O36_8 W7_8 O34_8 167.6 . . ?
O37_8 W7_8 O34_8 74.8 . . ?
O4_8 W7_8 O34_8 89.0 . . ?
O33_8 W7_8 O34_8 71.8 . . ?
O38_8 W7_8 O34_8 84.3 . . ?
W6_8 O7_8 W10_8 125.0 . . ?
O31_8 W8_8 O27_8 103.4 . . ?
O31_8 W8_8 O17_8 103.3 . . ?
O27_8 W8_8 O17_8 90.4 . . ?
O31_8 W8_8 O30_8 99.1 . . ?
O27_8 W8_8 O30_8 157.4 . . ?
O17_8 W8_8 O30_8 86.2 . . ?
O31_8 W8_8 O32_8 99.9 . . ?
O27_8 W8_8 O32_8 87.7 . . ?
O17_8 W8_8 O32_8 156.6 . . ?
O30_8 W8_8 O32_8 86.7 . . ?
O31_8 W8_8 O40_8 166.4 . . ?
O27_8 W8_8 O40_8 87.8 . . ?
O17_8 W8_8 O40_8 68.5 . . ?
O30_8 W8_8 O40_8 70.2 . . ?
O32_8 W8_8 O40_8 88.1 . . ?
W6_8 O8_8 W1_8 147.7 . . ?
O15_8 W9_8 O16_8 99.1 . . ?
O15_8 W9_8 O17_8 100.3 . . ?
O16_8 W9_8 O17_8 91.0 . . ?
O15_8 W9_8 O9_8 99.6 . . ?
O16_8 W9_8 O9_8 161.3 . . ?
O17_8 W9_8 O9_8 85.2 . . ?
O15_8 W9_8 O14_8 102.5 . . ?
O16_8 W9_8 O14_8 88.5 . . ?
O17_8 W9_8 O14_8 157.0 . . ?
O9_8 W9_8 O14_8 87.9 . . ?
O15_8 W9_8 O40_8 166.8 . . ?
O16_8 W9_8 O40_8 91.0 . . ?
O17_8 W9_8 O40_8 70.9 . . ?
O9_8 W9_8 O40_8 70.4 . . ?
O14_8 W9_8 O40_8 86.0 . . ?
W9_8 O9_8 W12_8 126.4 . . ?
O11_8 W10_8 O14_8 103.8 . . ?
O11_8 W10_8 O2_8 99.5 . . ?
O14_8 W10_8 O2_8 87.2 . . ?
O11_8 W10_8 O7_8 97.7 . . ?
O14_8 W10_8 O7_8 158.4 . . ?
O2_8 W10_8 O7_8 88.5 . . ?
O11_8 W10_8 O13_8 102.1 . . ?
O14_8 W10_8 O13_8 87.9 . . ?
O2_8 W10_8 O13_8 158.4 . . ?
O7_8 W10_8 O13_8 88.5 . . ?
O11_8 W10_8 O12_8 165.6 . . ?
O14_8 W10_8 O12_8 88.1 . . ?
O2_8 W10_8 O12_8 72.7 . . ?
O7_8 W10_8 O12_8 70.5 . . ?
O13_8 W10_8 O12_8 86.2 . . ?
W3_8 O10_8 W6_8 148.8 . . ?
O1_8 W11_8 O5_8 102.3 . . ?
O1_8 W11_8 O4_8 99.5 . . ?
O5_8 W11_8 O4_8 87.2 . . ?
O1_8 W11_8 O3_8 98.4 . . ?
O5_8 W11_8 O3_8 159.2 . . ?
O4_8 W11_8 O3_8 87.2 . . ?
O1_8 W11_8 O2_8 100.8 . . ?
O5_8 W11_8 O2_8 87.8 . . ?
O4_8 W11_8 O2_8 159.8 . . ?
O3_8 W11_8 O2_8 90.6 . . ?
O1_8 W11_8 O12_8 167.2 . . ?
O5_8 W11_8 O12_8 87.4 . . ?
O4_8 W11_8 O12_8 89.2 . . ?
O3_8 W11_8 O12_8 72.4 . . ?
O2_8 W11_8 O12_8 71.0 . . ?
O39_8 W12_8 O38_8 101.1 . . ?
O39_8 W12_8 O30_8 97.0 . . ?
O38_8 W12_8 O30_8 88.4 . . ?
O39_8 W12_8 O5_8 106.1 . . ?
O38_8 W12_8 O5_8 85.5 . . ?
O30_8 W12_8 O5_8 156.8 . . ?
O39_8 W12_8 O9_8 102.9 . . ?
O38_8 W12_8 O9_8 155.9 . . ?
O30_8 W12_8 O9_8 86.9 . . ?
O5_8 W12_8 O9_8 89.6 . . ?
O39_8 W12_8 O40_8 165.7 . . ?
O38_8 W12_8 O40_8 87.4 . . ?
O30_8 W12_8 O40_8 71.5 . . ?
O5_8 W12_8 O40_8 85.9 . . ?
O9_8 W12_8 O40_8 68.8 . . ?
Si1_8 O12_8 W10_8 122.7 . . ?
Si1_8 O12_8 W6_8 124.5 . . ?
W10_8 O12_8 W6_8 93.9 . . ?
Si1_8 O12_8 W11_8 122.3 . . ?
W10_8 O12_8 W11_8 92.3 . . ?
W6_8 O12_8 W11_8 92.5 . . ?
O58_8 W13_8 O60_8 102.9 . . ?
O58_8 W13_8 O61_8 102.9 . . ?
O60_8 W13_8 O61_8 84.6 . . ?
O58_8 W13_8 O57_8 101.4 . . ?
O60_8 W13_8 O57_8 155.2 . . ?
O61_8 W13_8 O57_8 85.6 . . ?
O58_8 W13_8 O59_8 98.0 . . ?
O60_8 W13_8 O59_8 95.9 . . ?
O61_8 W13_8 O59_8 158.5 . . ?
O57_8 W13_8 O59_8 85.2 . . ?
O58_8 W13_8 O74_8 167.2 . . ?
O60_8 W13_8 O74_8 87.6 . . ?
O61_8 W13_8 O74_8 85.2 . . ?
O57_8 W13_8 O74_8 68.9 . . ?
O59_8 W13_8 O74_8 73.4 . . ?
W5_8 O13_8 W10_8 148.5 . . ?
O72_8 W14_8 O76_8 98.1 . . ?
O72_8 W14_8 O55_8 99.5 . . ?
O76_8 W14_8 O55_8 87.2 . . ?
O72_8 W14_8 O61_8 106.3 . . ?
O76_8 W14_8 O61_8 155.6 . . ?
O55_8 W14_8 O61_8 88.0 . . ?
O72_8 W14_8 O68_8 102.4 . . ?
O76_8 W14_8 O68_8 90.1 . . ?
O55_8 W14_8 O68_8 158.1 . . ?
O61_8 W14_8 O68_8 85.6 . . ?
O72_8 W14_8 O73_8 164.9 . . ?
O76_8 W14_8 O73_8 69.5 . . ?
O55_8 W14_8 O73_8 72.1 . . ?
O61_8 W14_8 O73_8 86.3 . . ?
O68_8 W14_8 O73_8 86.6 . . ?
W10_8 O14_8 W9_8 146.3 . . ?
O65_8 W15_8 O68_8 102.5 . . ?
O65_8 W15_8 O60_8 102.8 . . ?
O68_8 W15_8 O60_8 83.4 . . ?
O65_8 W15_8 O67_8 98.2 . . ?
O68_8 W15_8 O67_8 90.4 . . ?
O60_8 W15_8 O67_8 158.9 . . ?
O65_8 W15_8 O66_8 96.2 . . ?
O68_8 W15_8 O66_8 161.0 . . ?
O60_8 W15_8 O66_8 89.4 . . ?
O67_8 W15_8 O66_8 90.0 . . ?
O65_8 W15_8 O80_8 167.4 . . ?
O68_8 W15_8 O80_8 86.5 . . ?
O60_8 W15_8 O80_8 86.8 . . ?
O67_8 W15_8 O80_8 72.6 . . ?
O66_8 W15_8 O80_8 75.5 . . ?
O54_8 W16_8 O52_8 102.8 . . ?
O54_8 W16_8 O53_8 99.4 . . ?
O52_8 W16_8 O53_8 87.0 . . ?
O54_8 W16_8 O57_8 101.3 . . ?
O52_8 W16_8 O57_8 155.9 . . ?
O53_8 W16_8 O57_8 88.0 . . ?
O54_8 W16_8 O56_8 101.9 . . ?
O52_8 W16_8 O56_8 86.6 . . ?
O53_8 W16_8 O56_8 158.7 . . ?
O57_8 W16_8 O56_8 89.5 . . ?
O54_8 W16_8 O74_8 166.6 . . ?
O52_8 W16_8 O74_8 86.8 . . ?
O53_8 W16_8 O74_8 90.4 . . ?
O57_8 W16_8 O74_8 69.7 . . ?
O56_8 W16_8 O74_8 68.9 . . ?
W9_8 O16_8 W5_8 144.4 . . ?
O51_8 W17_8 O50_8 100.6 . . ?
O51_8 W17_8 O49_8 99.5 . . ?
O50_8 W17_8 O49_8 87.4 . . ?
O51_8 W17_8 O53_8 100.2 . . ?
O50_8 W17_8 O53_8 87.9 . . ?
O49_8 W17_8 O53_8 160.3 . . ?
O51_8 W17_8 O55_8 100.8 . . ?
O50_8 W17_8 O55_8 158.6 . . ?
O49_8 W17_8 O55_8 88.8 . . ?
O53_8 W17_8 O55_8 88.6 . . ?
O51_8 W17_8 O73_8 167.6 . . ?
O50_8 W17_8 O73_8 86.9 . . ?
O49_8 W17_8 O73_8 70.7 . . ?
O53_8 W17_8 O73_8 89.9 . . ?
O55_8 W17_8 O73_8 72.0 . . ?
W9_8 O17_8 W8_8 127.9 . . ?
O48_8 W18_8 O45_8 100.9 . . ?
O48_8 W18_8 O50_8 101.9 . . ?
O45_8 W18_8 O50_8 90.6 . . ?
O48_8 W18_8 O52_8 102.7 . . ?
O45_8 W18_8 O52_8 156.4 . . ?
O50_8 W18_8 O52_8 86.0 . . ?
O48_8 W18_8 O47_8 100.0 . . ?
O45_8 W18_8 O47_8 85.0 . . ?
O50_8 W18_8 O47_8 158.1 . . ?
O52_8 W18_8 O47_8 89.5 . . ?
O48_8 W18_8 O75_8 166.2 . . ?
O45_8 W18_8 O75_8 70.2 . . ?
O50_8 W18_8 O75_8 88.9 . . ?
O52_8 W18_8 O75_8 86.4 . . ?
O47_8 W18_8 O75_8 69.4 . . ?
O62_8 W19_8 O56_8 97.0 . . ?
O62_8 W19_8 O63_8 107.4 . . ?
O56_8 W19_8 O63_8 155.4 . . ?
O62_8 W19_8 O64_8 100.9 . . ?
O56_8 W19_8 O64_8 87.1 . . ?
O63_8 W19_8 O64_8 85.5 . . ?
O62_8 W19_8 O59_8 99.8 . . ?
O56_8 W19_8 O59_8 86.0 . . ?
O63_8 W19_8 O59_8 92.6 . . ?
O64_8 W19_8 O59_8 158.9 . . ?
O62_8 W19_8 O74_8 165.4 . . ?
O56_8 W19_8 O74_8 70.7 . . ?
O63_8 W19_8 O74_8 85.5 . . ?
O64_8 W19_8 O74_8 86.8 . . ?
O59_8 W19_8 O74_8 72.1 . . ?
W5_8 O19_8 W3_8 124.0 . . ?
O78_8 W20_8 O63_8 105.6 . . ?
O78_8 W20_8 O77_8 103.3 . . ?
O63_8 W20_8 O77_8 85.9 . . ?
O78_8 W20_8 O66_8 95.4 . . ?
O63_8 W20_8 O66_8 86.7 . . ?
O77_8 W20_8 O66_8 161.1 . . ?
O78_8 W20_8 O70_8 97.0 . . ?
O63_8 W20_8 O70_8 157.4 . . ?
O77_8 W20_8 O70_8 88.8 . . ?
O66_8 W20_8 O70_8 91.3 . . ?
O78_8 W20_8 O80_8 164.8 . . ?
O63_8 W20_8 O80_8 86.1 . . ?
O77_8 W20_8 O80_8 86.9 . . ?
O66_8 W20_8 O80_8 75.2 . . ?
O70_8 W20_8 O80_8 71.7 . . ?
W4_8 O20_8 W5_8 130.3 . . ?
O79_8 W21_8 O64_8 99.3 . . ?
O79_8 W21_8 O77_8 100.6 . . ?
O64_8 W21_8 O77_8 85.5 . . ?
O79_8 W21_8 O47_8 101.6 . . ?
O64_8 W21_8 O47_8 89.6 . . ?
O77_8 W21_8 O47_8 157.8 . . ?
O79_8 W21_8 O43_8 101.0 . . ?
O64_8 W21_8 O43_8 159.7 . . ?
O77_8 W21_8 O43_8 90.8 . . ?
O47_8 W21_8 O43_8 86.4 . . ?
O79_8 W21_8 O75_8 169.4 . . ?
O64_8 W21_8 O75_8 87.5 . . ?
O77_8 W21_8 O75_8 88.0 . . ?
O47_8 W21_8 O75_8 70.2 . . ?
O43_8 W21_8 O75_8 72.4 . . ?
Si1_8 O21_8 W3_8 122.2 . . ?
Si1_8 O21_8 W5_8 119.7 . . ?
W3_8 O21_8 W5_8 95.7 . . ?
Si1_8 O21_8 W4_8 122.1 . . ?
W3_8 O21_8 W4_8 95.6 . . ?
W5_8 O21_8 W4_8 94.8 . . ?
O69_8 W22_8 O70_8 98.9 . . ?
O69_8 W22_8 O71_8 102.5 . . ?
O70_8 W22_8 O71_8 158.5 . . ?
O69_8 W22_8 O42_8 103.0 . . ?
O70_8 W22_8 O42_8 88.3 . . ?
O71_8 W22_8 O42_8 85.8 . . ?
O69_8 W22_8 O67_8 98.4 . . ?
O70_8 W22_8 O67_8 89.0 . . ?
O71_8 W22_8 O67_8 89.1 . . ?
O42_8 W22_8 O67_8 158.7 . . ?
O69_8 W22_8 O80_8 169.3 . . ?
O70_8 W22_8 O80_8 74.9 . . ?
O71_8 W22_8 O80_8 84.1 . . ?
O42_8 W22_8 O80_8 85.8 . . ?
O67_8 W22_8 O80_8 73.1 . . ?
O46_8 W23_8 O71_8 102.7 . . ?
O46_8 W23_8 O44_8 100.7 . . ?
O71_8 W23_8 O44_8 86.9 . . ?
O46_8 W23_8 O76_8 101.2 . . ?
O71_8 W23_8 O76_8 89.3 . . ?
O44_8 W23_8 O76_8 158.1 . . ?
O46_8 W23_8 O49_8 100.9 . . ?
O71_8 W23_8 O49_8 156.4 . . ?
O44_8 W23_8 O49_8 87.7 . . ?
O76_8 W23_8 O49_8 87.2 . . ?
O46_8 W23_8 O73_8 169.0 . . ?
O71_8 W23_8 O73_8 85.1 . . ?
O44_8 W23_8 O73_8 87.4 . . ?
O76_8 W23_8 O73_8 70.8 . . ?
O49_8 W23_8 O73_8 71.7 . . ?
W4_8 O23_8 W3_8 123.5 . . ?
O41_8 W24_8 O42_8 103.8 . . ?
O41_8 W24_8 O45_8 100.6 . . ?
O42_8 W24_8 O45_8 155.6 . . ?
O41_8 W24_8 O44_8 102.5 . . ?
O42_8 W24_8 O44_8 87.2 . . ?
O45_8 W24_8 O44_8 89.2 . . ?
O41_8 W24_8 O43_8 98.9 . . ?
O42_8 W24_8 O43_8 89.1 . . ?
O45_8 W24_8 O43_8 85.5 . . ?
O44_8 W24_8 O43_8 158.6 . . ?
O41_8 W24_8 O75_8 165.7 . . ?
O42_8 W24_8 O75_8 86.5 . . ?
O45_8 W24_8 O75_8 69.3 . . ?
O44_8 W24_8 O75_8 87.8 . . ?
O43_8 W24_8 O75_8 70.9 . . ?
W2_8 O24_8 W4_8 147.9 . . ?
O100_8 W25_8 O99_8 100.5 . . ?
O100_8 W25_8 O101_8 102.5 . . ?
O99_8 W25_8 O101_8 86.6 . . ?
O100_8 W25_8 O88_8 99.3 . . ?
O99_8 W25_8 O88_8 160.2 . . ?
O101_8 W25_8 O88_8 89.8 . . ?
O100_8 W25_8 O98_8 98.6 . . ?
O99_8 W25_8 O98_8 89.5 . . ?
O101_8 W25_8 O98_8 158.8 . . ?
O88_8 W25_8 O98_8 86.9 . . ?
O100_8 W25_8 O120_8 166.7 . . ?
O99_8 W25_8 O120_8 88.2 . . ?
O101_8 W25_8 O120_8 87.9 . . ?
O88_8 W25_8 O120_8 72.2 . . ?
O98_8 W25_8 O120_8 71.1 . . ?
O103_8 W26_8 O82_8 99.2 . . ?
O103_8 W26_8 O101_8 100.7 . . ?
O82_8 W26_8 O101_8 89.7 . . ?
O103_8 W26_8 O104_8 102.3 . . ?
O82_8 W26_8 O104_8 88.2 . . ?
O101_8 W26_8 O104_8 157.0 . . ?
O103_8 W26_8 O102_8 104.5 . . ?
O82_8 W26_8 O102_8 156.3 . . ?
O101_8 W26_8 O102_8 87.5 . . ?
O104_8 W26_8 O102_8 85.3 . . ?
O103_8 W26_8 O118_8 166.2 . . ?
O82_8 W26_8 O118_8 70.1 . . ?
O101_8 W26_8 O118_8 88.3 . . ?
O104_8 W26_8 O118_8 69.5 . . ?
O102_8 W26_8 O118_8 86.2 . . ?
W3_8 O26_8 W1_8 139.9 . . ?
O117_8 W27_8 O102_8 102.6 . . ?
O117_8 W27_8 O114_8 100.3 . . ?
O102_8 W27_8 O114_8 156.9 . . ?
O117_8 W27_8 O110_8 101.1 . . ?
O102_8 W27_8 O110_8 84.8 . . ?
O114_8 W27_8 O110_8 87.6 . . ?
O117_8 W27_8 O99_8 101.9 . . ?
O102_8 W27_8 O99_8 89.1 . . ?
O114_8 W27_8 O99_8 89.5 . . ?
O110_8 W27_8 O99_8 157.0 . . ?
O117_8 W27_8 O116_8 166.0 . . ?
O102_8 W27_8 O116_8 86.1 . . ?
O114_8 W27_8 O116_8 70.8 . . ?
O110_8 W27_8 O116_8 68.4 . . ?
O99_8 W27_8 O116_8 89.1 . . ?
W8_8 O27_8 W4_8 149.7 . . ?
O113_8 W28_8 O115_8 106.3 . . ?
O113_8 W28_8 O114_8 100.6 . . ?
O115_8 W28_8 O114_8 88.5 . . ?
O113_8 W28_8 O95_8 103.2 . . ?
O115_8 W28_8 O95_8 86.8 . . ?
O114_8 W28_8 O95_8 156.1 . . ?
O113_8 W28_8 O111_8 96.4 . . ?
O115_8 W28_8 O111_8 157.3 . . ?
O114_8 W28_8 O111_8 86.9 . . ?
O95_8 W28_8 O111_8 88.4 . . ?
O113_8 W28_8 O116_8 165.4 . . ?
O115_8 W28_8 O116_8 86.0 . . ?
O114_8 W28_8 O116_8 71.2 . . ?
O95_8 W28_8 O116_8 85.0 . . ?
O111_8 W28_8 O116_8 71.5 . . ?
O109_8 W29_8 O110_8 101.1 . . ?
O109_8 W29_8 O107_8 100.6 . . ?
O110_8 W29_8 O107_8 86.3 . . ?
O109_8 W29_8 O112_8 101.7 . . ?
O110_8 W29_8 O112_8 157.0 . . ?
O107_8 W29_8 O112_8 87.0 . . ?
O109_8 W29_8 O111_8 100.2 . . ?
O110_8 W29_8 O111_8 86.4 . . ?
O107_8 W29_8 O111_8 159.0 . . ?
O112_8 W29_8 O111_8 92.1 . . ?
O109_8 W29_8 O116_8 169.2 . . ?
O110_8 W29_8 O116_8 70.7 . . ?
O107_8 W29_8 O116_8 86.1 . . ?
O112_8 W29_8 O116_8 87.0 . . ?
O111_8 W29_8 O116_8 72.9 . . ?
W1_8 O29_8 W2_8 123.6 . . ?
O93_8 W30_8 O95_8 101.4 . . ?
O93_8 W30_8 O94_8 97.6 . . ?
O95_8 W30_8 O94_8 86.2 . . ?
O93_8 W30_8 O96_8 105.5 . . ?
O95_8 W30_8 O96_8 90.8 . . ?
O94_8 W30_8 O96_8 156.9 . . ?
O93_8 W30_8 O91_8 101.2 . . ?
O95_8 W30_8 O91_8 157.1 . . ?
O94_8 W30_8 O91_8 87.4 . . ?
O96_8 W30_8 O91_8 86.5 . . ?
O93_8 W30_8 O119_8 164.9 . . ?
O95_8 W30_8 O119_8 86.4 . . ?
O94_8 W30_8 O119_8 69.8 . . ?
O96_8 W30_8 O119_8 87.2 . . ?
O91_8 W30_8 O119_8 70.8 . . ?
W12_8 O30_8 W8_8 126.4 . . ?
O108_8 W31_8 O112_8 101.8 . . ?
O108_8 W31_8 O94_8 101.5 . . ?
O112_8 W31_8 O94_8 89.2 . . ?
O108_8 W31_8 O92_8 101.6 . . ?
O112_8 W31_8 O92_8 156.6 . . ?
O94_8 W31_8 O92_8 86.3 . . ?
O108_8 W31_8 O106_8 99.2 . . ?
O112_8 W31_8 O106_8 86.5 . . ?
O94_8 W31_8 O106_8 159.3 . . ?
O92_8 W31_8 O106_8 89.7 . . ?
O108_8 W31_8 O119_8 168.8 . . ?
O112_8 W31_8 O119_8 87.3 . . ?
O94_8 W31_8 O119_8 71.9 . . ?
O92_8 W31_8 O119_8 69.5 . . ?
O106_8 W31_8 O119_8 87.7 . . ?
O89_8 W32_8 O87_8 103.9 . . ?
O89_8 W32_8 O92_8 98.5 . . ?
O87_8 W32_8 O92_8 157.6 . . ?
O89_8 W32_8 O91_8 98.0 . . ?
O87_8 W32_8 O91_8 89.3 . . ?
O92_8 W32_8 O91_8 85.7 . . ?
O89_8 W32_8 O84_8 100.8 . . ?
O87_8 W32_8 O84_8 87.5 . . ?
O92_8 W32_8 O84_8 90.2 . . ?
O91_8 W32_8 O84_8 161.1 . . ?
O89_8 W32_8 O119_8 164.5 . . ?
O87_8 W32_8 O119_8 88.8 . . ?
O92_8 W32_8 O119_8 68.9 . . ?
O91_8 W32_8 O119_8 72.9 . . ?
O84_8 W32_8 O119_8 88.4 . . ?
W2_8 O32_8 W8_8 146.0 . . ?
O105_8 W33_8 O106_8 103.1 . . ?
O105_8 W33_8 O83_8 98.3 . . ?
O106_8 W33_8 O83_8 89.2 . . ?
O105_8 W33_8 O104_8 97.6 . . ?
O106_8 W33_8 O104_8 159.3 . . ?
O83_8 W33_8 O104_8 87.4 . . ?
O105_8 W33_8 O107_8 105.9 . . ?
O106_8 W33_8 O107_8 89.5 . . ?
O83_8 W33_8 O107_8 155.4 . . ?
O104_8 W33_8 O107_8 85.2 . . ?
O105_8 W33_8 O118_8 163.3 . . ?
O106_8 W33_8 O118_8 89.1 . . ?
O83_8 W33_8 O118_8 70.2 . . ?
O104_8 W33_8 O118_8 70.5 . . ?
O107_8 W33_8 O118_8 85.2 . . ?
W7_8 O33_8 W2_8 124.1 . . ?
O81_8 W34_8 O85_8 100.4 . . ?
O81_8 W34_8 O84_8 102.3 . . ?
O85_8 W34_8 O84_8 87.5 . . ?
O81_8 W34_8 O82_8 99.5 . . ?
O85_8 W34_8 O82_8 88.9 . . ?
O84_8 W34_8 O82_8 158.2 . . ?
O81_8 W34_8 O83_8 101.8 . . ?
O85_8 W34_8 O83_8 157.8 . . ?
O84_8 W34_8 O83_8 88.1 . . ?
O82_8 W34_8 O83_8 87.1 . . ?
O81_8 W34_8 O118_8 166.8 . . ?
O85_8 W34_8 O118_8 88.5 . . ?
O84_8 W34_8 O118_8 87.7 . . ?
O82_8 W34_8 O118_8 70.7 . . ?
O83_8 W34_8 O118_8 69.5 . . ?
Si1_8 O34_8 W7_8 124.5 . . ?
Si1_8 O34_8 W2_8 124.2 . . ?
W7_8 O34_8 W2_8 92.5 . . ?
Si1_8 O34_8 W1_8 123.5 . . ?
W7_8 O34_8 W1_8 91.6 . . ?
W2_8 O34_8 W1_8 90.9 . . ?
O86_8 W35_8 O85_8 101.2 . . ?
O86_8 W35_8 O87_8 103.0 . . ?
O85_8 W35_8 O87_8 85.5 . . ?
O86_8 W35_8 O88_8 99.6 . . ?
O85_8 W35_8 O88_8 89.1 . . ?
O87_8 W35_8 O88_8 157.4 . . ?
O86_8 W35_8 O90_8 100.4 . . ?
O85_8 W35_8 O90_8 158.3 . . ?
O87_8 W35_8 O90_8 90.0 . . ?
O88_8 W35_8 O90_8 86.9 . . ?
O86_8 W35_8 O120_8 167.1 . . ?
O85_8 W35_8 O120_8 88.1 . . ?
O87_8 W35_8 O120_8 86.4 . . ?
O88_8 W35_8 O120_8 71.5 . . ?
O90_8 W35_8 O120_8 70.4 . . ?
O97_8 W36_8 O96_8 103.0 . . ?
O97_8 W36_8 O90_8 95.9 . . ?
O96_8 W36_8 O90_8 86.7 . . ?
O97_8 W36_8 O115_8 106.7 . . ?
O96_8 W36_8 O115_8 88.0 . . ?
O90_8 W36_8 O115_8 157.4 . . ?
O97_8 W36_8 O98_8 98.5 . . ?
O96_8 W36_8 O98_8 157.9 . . ?
O90_8 W36_8 O98_8 85.9 . . ?
O115_8 W36_8 O98_8 90.9 . . ?
O97_8 W36_8 O120_8 164.9 . . ?
O96_8 W36_8 O120_8 86.2 . . ?
O90_8 W36_8 O120_8 72.3 . . ?
O115_8 W36_8 O120_8 85.4 . . ?
O98_8 W36_8 O120_8 71.7 . . ?
W7_8 O37_8 W1_8 123.3 . . ?
W12_8 O38_8 W7_8 152.9 . . ?
Si1_8 O40_8 W9_8 125.4 . . ?
Si1_8 O40_8 W12_8 123.1 . . ?
W9_8 O40_8 W12_8 94.4 . . ?
Si1_8 O40_8 W8_8 120.7 . . ?
W9_8 O40_8 W8_8 92.6 . . ?
W12_8 O40_8 W8_8 91.9 . . ?
W24_8 O42_8 W22_8 150.0 . . ?
W21_8 O43_8 W24_8 124.8 . . ?
W23_8 O44_8 W24_8 146.4 . . ?
W24_8 O45_8 W18_8 129.1 . . ?
W21_8 O47_8 W18_8 127.5 . . ?
W17_8 O49_8 W23_8 124.2 . . ?
W17_8 O50_8 W18_8 146.7 . . ?
W16_8 O52_8 W18_8 149.5 . . ?
W16_8 O53_8 W17_8 145.1 . . ?
W14_8 O55_8 W17_8 125.1 . . ?
W19_8 O56_8 W16_8 127.5 . . ?
W16_8 O57_8 W13_8 129.6 . . ?
W13_8 O59_8 W19_8 122.5 . . ?
W13_8 O60_8 W15_8 152.1 . . ?
W13_8 O61_8 W14_8 150.4 . . ?
W20_8 O63_8 W19_8 150.0 . . ?
W21_8 O64_8 W19_8 148.9 . . ?
W15_8 O66_8 W20_8 118.7 . . ?
W22_8 O67_8 W15_8 123.7 . . ?
W15_8 O68_8 W14_8 150.0 . . ?
W22_8 O70_8 W20_8 122.6 . . ?
W22_8 O71_8 W23_8 151.5 . . ?
Si2_8 O73_8 W23_8 125.8 . . ?
Si2_8 O73_8 W17_8 123.9 . . ?
W23_8 O73_8 W17_8 93.3 . . ?
Si2_8 O73_8 W14_8 121.4 . . ?
W23_8 O73_8 W14_8 92.2 . . ?
W17_8 O73_8 W14_8 90.9 . . ?
Si2_8 O74_8 W16_8 123.6 . . ?
Si2_8 O74_8 W19_8 124.3 . . ?
W16_8 O74_8 W19_8 92.5 . . ?
Si2_8 O74_8 W13_8 123.7 . . ?
W16_8 O74_8 W13_8 91.6 . . ?
W19_8 O74_8 W13_8 91.8 . . ?
Si2_8 O75_8 W21_8 124.2 . . ?
Si2_8 O75_8 W18_8 124.3 . . ?
W21_8 O75_8 W18_8 92.9 . . ?
Si2_8 O75_8 W24_8 122.9 . . ?
W21_8 O75_8 W24_8 91.8 . . ?
W18_8 O75_8 W24_8 91.5 . . ?
W14_8 O76_8 W23_8 127.5 . . ?
W21_8 O77_8 W20_8 149.4 . . ?
Si2_8 O80_8 W20_8 124.6 . . ?
Si2_8 O80_8 W22_8 125.3 . . ?
W20_8 O80_8 W22_8 90.6 . . ?
Si2_8 O80_8 W15_8 124.7 . . ?
W20_8 O80_8 W15_8 90.4 . . ?
W22_8 O80_8 W15_8 90.6 . . ?
W26_8 O82_8 W34_8 126.3 . . ?
W33_8 O83_8 W34_8 127.0 . . ?
W34_8 O84_8 W32_8 145.7 . . ?
W34_8 O85_8 W35_8 148.2 . . ?
W32_8 O87_8 W35_8 149.2 . . ?
W25_8 O88_8 W35_8 125.4 . . ?
W36_8 O90_8 W35_8 125.7 . . ?
W32_8 O91_8 W30_8 124.1 . . ?
W32_8 O92_8 W31_8 128.2 . . ?
W31_8 O94_8 W30_8 125.4 . . ?
W30_8 O95_8 W28_8 147.3 . . ?
W36_8 O96_8 W30_8 145.5 . . ?
W25_8 O98_8 W36_8 125.4 . . ?
W25_8 O99_8 W27_8 146.6 . . ?
W25_8 O101_8 W26_8 149.8 . . ?
W27_8 O102_8 W26_8 146.0 . . ?
W33_8 O104_8 W26_8 127.3 . . ?
W33_8 O106_8 W31_8 145.4 . . ?
W29_8 O107_8 W33_8 148.3 . . ?
W29_8 O110_8 W27_8 127.8 . . ?
W29_8 O111_8 W28_8 122.0 . . ?
W31_8 O112_8 W29_8 150.5 . . ?
W27_8 O114_8 W28_8 125.5 . . ?
W28_8 O115_8 W36_8 152.2 . . ?
Si3_8 O116_8 W29_8 123.7 . . ?
Si3_8 O116_8 W28_8 124.1 . . ?
W29_8 O116_8 W28_8 93.6 . . ?
Si3_8 O116_8 W27_8 121.4 . . ?
W29_8 O116_8 W27_8 93.1 . . ?
W28_8 O116_8 W27_8 92.4 . . ?
Si3_8 O118_8 W34_8 124.5 . . ?
Si3_8 O118_8 W33_8 123.4 . . ?
W34_8 O118_8 W33_8 93.3 . . ?
Si3_8 O118_8 W26_8 121.6 . . ?
W34_8 O118_8 W26_8 92.8 . . ?
W33_8 O118_8 W26_8 92.7 . . ?
Si3_8 O119_8 W31_8 126.0 . . ?
Si3_8 O119_8 W32_8 121.8 . . ?
W31_8 O119_8 W32_8 93.4 . . ?
Si3_8 O119_8 W30_8 121.7 . . ?
W31_8 O119_8 W30_8 92.9 . . ?
W32_8 O119_8 W30_8 92.2 . . ?
Si3_8 O120_8 W36_8 125.3 . . ?
Si3_8 O120_8 W25_8 124.5 . . ?
W36_8 O120_8 W25_8 91.8 . . ?
Si3_8 O120_8 W35_8 123.0 . . ?
W36_8 O120_8 W35_8 91.5 . . ?
W25_8 O120_8 W35_8 91.0 . . ?

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
C6_1 N1_1 C2_1 C3_1 0.0 . . . . ?
Pd5_7 N1_1 C2_1 C3_1 -166.3 . . . . ?
N1_1 C2_1 C3_1 C4_1 0.0 . . . . ?
C2_1 C3_1 C4_1 C7_1 176.1 . . . . ?
C2_1 C3_1 C4_1 C5_1 0.0 . . . . ?
C7_1 C4_1 C5_1 C6_1 -176.0 . . . . ?
C3_1 C4_1 C5_1 C6_1 0.0 . . . . ?
C4_1 C5_1 C6_1 N1_1 0.0 . . . . ?
C2_1 N1_1 C6_1 C5_1 0.0 . . . . ?
Pd5_7 N1_1 C6_1 C5_1 166.1 . . . . ?
C5_1 C4_1 C7_1 N8_1 146.9 . . . . ?
C3_1 C4_1 C7_1 N8_1 -29.1 . . . . ?
C5_1 C4_1 C7_1 N12_1 -33.9 . . . . ?
C3_1 C4_1 C7_1 N12_1 150.0 . . . . ?
C4_1 C7_1 N8_1 C9_1 179.2 . . . . ?
N12_1 C7_1 N8_1 C9_1 0.0 . . . . ?
C7_1 N8_1 C9_1 C22_1 177.1 . . . . ?
C7_1 N8_1 C9_1 N10_1 0.0 . . . . ?
C22_1 C9_1 N10_1 C11_1 -177.1 . . . . ?
N8_1 C9_1 N10_1 C11_1 0.0 . . . . ?
C9_1 N10_1 C11_1 N12_1 0.0 . . . . ?
C9_1 N10_1 C11_1 C16_1 179.3 . . . . ?
N10_1 C11_1 N12_1 C7_1 0.0 . . . . ?
C16_1 C11_1 N12_1 C7_1 -179.3 . . . . ?
C4_1 C7_1 N12_1 C11_1 -179.2 . . . . ?
N8_1 C7_1 N12_1 C11_1 0.0 . . . . ?
C18_1 N13_1 C14_1 C15_1 0.0 . . . . ?
Pd6_7 N13_1 C14_1 C15_1 -173.2 . . . . ?
N13_1 C14_1 C15_1 C16_1 0.0 . . . . ?
C14_1 C15_1 C16_1 C17_1 0.0 . . . . ?
C14_1 C15_1 C16_1 C11_1 -175.1 . . . . ?
N10_1 C11_1 C16_1 C17_1 22.9 . . . . ?
N12_1 C11_1 C16_1 C17_1 -157.8 . . . . ?
N10_1 C11_1 C16_1 C15_1 -162.0 . . . . ?
N12_1 C11_1 C16_1 C15_1 17.4 . . . . ?
C15_1 C16_1 C17_1 C18_1 0.0 . . . . ?
C11_1 C16_1 C17_1 C18_1 175.3 . . . . ?
C16_1 C17_1 C18_1 N13_1 0.0 . . . . ?
C14_1 N13_1 C18_1 C17_1 0.0 . . . . ?
Pd6_7 N13_1 C18_1 C17_1 172.6 . . . . ?
C24_1 N19_1 C20_1 C21_1 0.0 . . . . ?
C25_1 N19_1 C20_1 C21_1 -177.7 . . . . ?
N19_1 C20_1 C21_1 C22_1 0.0 . . . . ?
N8_1 C9_1 C22_1 C23_1 -16.4 . . . . ?
N10_1 C9_1 C22_1 C23_1 160.7 . . . . ?
N8_1 C9_1 C22_1 C21_1 168.5 . . . . ?
N10_1 C9_1 C22_1 C21_1 -14.4 . . . . ?
C20_1 C21_1 C22_1 C9_1 175.0 . . . . ?
C20_1 C21_1 C22_1 C23_1 0.0 . . . . ?
C9_1 C22_1 C23_1 C24_1 -175.2 . . . . ?
C21_1 C22_1 C23_1 C24_1 0.0 . . . . ?
C22_1 C23_1 C24_1 N19_1 0.0 . . . . ?
C20_1 N19_1 C24_1 C23_1 0.0 . . . . ?
C25_1 N19_1 C24_1 C23_1 177.8 . . . . ?
C20_1 N19_1 C25_1 C26_1 155.3 . . . . ?
C24_1 N19_1 C25_1 C26_1 -22.4 . . . . ?
N19_1 C25_1 C26_1 C27_1 100.5 . . . . ?
N19_1 C25_1 C26_1 C31_1 -73.2 . . . . ?
C31_1 C26_1 C27_1 C28_1 0.0 . . . . ?
C25_1 C26_1 C27_1 C28_1 -173.5 . . . . ?
C26_1 C27_1 C28_1 C29_1 0.0 . . . . ?
C27_1 C28_1 C29_1 C30_1 0.0 . . . . ?
C27_1 C28_1 C29_1 C32_1 171.4 . . . . ?
C28_1 C29_1 C30_1 C31_1 0.0 . . . . ?
C32_1 C29_1 C30_1 C31_1 -170.6 . . . . ?
C29_1 C30_1 C31_1 C26_1 0.0 . . . . ?
C27_1 C26_1 C31_1 C30_1 0.0 . . . . ?
C25_1 C26_1 C31_1 C30_1 174.0 . . . . ?
C28_1 C29_1 C32_1 N33_1 -115.0 . . . . ?
C30_1 C29_1 C32_1 N33_1 56.0 . . . . ?
C29_1 C32_1 N33_1 C34_1 51.0 . . . . ?
C29_1 C32_1 N33_1 C38_1 -129.3 . . . . ?
C38_1 N33_1 C34_1 C35_1 0.0 . . . . ?
C32_1 N33_1 C34_1 C35_1 179.8 . . . . ?
N33_1 C34_1 C35_1 C36_1 0.0 . . . . ?
C34_1 C35_1 C36_1 C37_1 0.0 . . . . ?
C34_1 C35_1 C36_1 C39_1 -178.1 . . . . ?
C35_1 C36_1 C37_1 C38_1 0.0 . . . . ?
C39_1 C36_1 C37_1 C38_1 178.1 . . . . ?
C36_1 C37_1 C38_1 N33_1 0.0 . . . . ?
C34_1 N33_1 C38_1 C37_1 0.0 . . . . ?
C32_1 N33_1 C38_1 C37_1 -179.7 . . . . ?
C35_1 C36_1 C39_1 N40_1 -0.9 . . . . ?
C37_1 C36_1 C39_1 N40_1 -179.0 . . . . ?
C35_1 C36_1 C39_1 N44_1 -175.7 . . . . ?
C37_1 C36_1 C39_1 N44_1 6.2 . . . . ?
N44_1 C39_1 N40_1 C41_1 -9.0 . . . . ?
C36_1 C39_1 N40_1 C41_1 176.6 . . . . ?
C39_1 N40_1 C41_1 C48_1 -173.9 . . . . ?
C39_1 N40_1 C41_1 N42_1 7.6 . . . . ?
C48_1 C41_1 N42_1 C43_1 -179.4 . . . . ?
N40_1 C41_1 N42_1 C43_1 -0.9 . . . . ?
C41_1 N42_1 C43_1 N44_1 -5.6 . . . . ?
C41_1 N42_1 C43_1 C54_1 -165.2 . . . . ?
N42_1 C43_1 N44_1 C39_1 4.7 . . . . ?
C54_1 C43_1 N44_1 C39_1 165.6 . . . . ?
N40_1 C39_1 N44_1 C43_1 2.7 . . . . ?
C36_1 C39_1 N44_1 C43_1 176.7 . . . . ?
C50_1 N45_1 C46_1 C47_1 0.0 . . . . ?
Pd5_7 N45_1 C46_1 C47_1 -175.2 . . . . ?
N45_1 C46_1 C47_1 C48_1 0.0 . . . . ?
N40_1 C41_1 C48_1 C47_1 -157.4 . . . . ?
N42_1 C41_1 C48_1 C47_1 21.1 . . . . ?
N40_1 C41_1 C48_1 C49_1 21.1 . . . . ?
N42_1 C41_1 C48_1 C49_1 -160.4 . . . . ?
C46_1 C47_1 C48_1 C41_1 178.4 . . . . ?
C46_1 C47_1 C48_1 C49_1 0.0 . . . . ?
C41_1 C48_1 C49_1 C50_1 -178.6 . . . . ?
C47_1 C48_1 C49_1 C50_1 0.0 . . . . ?
C48_1 C49_1 C50_1 N45_1 0.0 . . . . ?
C46_1 N45_1 C50_1 C49_1 0.0 . . . . ?
Pd5_7 N45_1 C50_1 C49_1 175.4 . . . . ?
C56_1 N51_1 C52_1 C53_1 7.5 . . . . ?
Pd8_7 N51_1 C52_1 C53_1 -164.7 . . . . ?
N51_1 C52_1 C53_1 C54_1 -11.8 . . . . ?
C52_1 C53_1 C54_1 C55_1 15.0 . . . . ?
C52_1 C53_1 C54_1 C43_1 174.1 . . . . ?
N42_1 C43_1 C54_1 C53_1 172.1 . . . . ?
N44_1 C43_1 C54_1 C53_1 10.1 . . . . ?
N42_1 C43_1 C54_1 C55_1 -30.3 . . . . ?
N44_1 C43_1 C54_1 C55_1 167.8 . . . . ?
C53_1 C54_1 C55_1 C56_1 -13.5 . . . . ?
C43_1 C54_1 C55_1 C56_1 -175.3 . . . . ?
C52_1 N51_1 C56_1 C55_1 -10.6 . . . . ?
Pd8_7 N51_1 C56_1 C55_1 160.9 . . . . ?
C54_1 C55_1 C56_1 N51_1 14.7 . . . . ?
C6_2 N1_2 C2_2 C3_2 0.0 . . . . ?
Pd8_7 N1_2 C2_2 C3_2 176.1 . . . . ?
N1_2 C2_2 C3_2 C4_2 0.0 . . . . ?
C2_2 C3_2 C4_2 C5_2 0.0 . . . . ?
C2_2 C3_2 C4_2 C7_2 177.1 . . . . ?
C3_2 C4_2 C5_2 C6_2 0.0 . . . . ?
C7_2 C4_2 C5_2 C6_2 -177.3 . . . . ?
C4_2 C5_2 C6_2 N1_2 0.0 . . . . ?
C2_2 N1_2 C6_2 C5_2 0.0 . . . . ?
Pd8_7 N1_2 C6_2 C5_2 -175.6 . . . . ?
C5_2 C4_2 C7_2 N8_2 10.5 . . . . ?
C3_2 C4_2 C7_2 N8_2 -166.7 . . . . ?
C5_2 C4_2 C7_2 N12_2 176.6 . . . . ?
C3_2 C4_2 C7_2 N12_2 -0.6 . . . . ?
N12_2 C7_2 N8_2 C9_2 7.0 . . . . ?
C4_2 C7_2 N8_2 C9_2 169.6 . . . . ?
C7_2 N8_2 C9_2 N10_2 -2.9 . . . . ?
C7_2 N8_2 C9_2 C16_2 -177.5 . . . . ?
N8_2 C9_2 N10_2 C11_2 2.5 . . . . ?
C16_2 C9_2 N10_2 C11_2 177.2 . . . . ?
C9_2 N10_2 C11_2 N12_2 -7.2 . . . . ?
C9_2 N10_2 C11_2 C22_2 174.4 . . . . ?
N10_2 C11_2 N12_2 C7_2 10.1 . . . . ?
C22_2 C11_2 N12_2 C7_2 -171.5 . . . . ?
N8_2 C7_2 N12_2 C11_2 -9.8 . . . . ?
C4_2 C7_2 N12_2 C11_2 -173.7 . . . . ?
C18_2 N13_2 C14_2 C15_2 0.0 . . . . ?
Pd7_7 N13_2 C14_2 C15_2 -171.1 . . . . ?
N13_2 C14_2 C15_2 C16_2 0.0 . . . . ?
C14_2 C15_2 C16_2 C17_2 0.0 . . . . ?
C14_2 C15_2 C16_2 C9_2 168.4 . . . . ?
N8_2 C9_2 C16_2 C15_2 149.5 . . . . ?
N10_2 C9_2 C16_2 C15_2 -25.5 . . . . ?
N8_2 C9_2 C16_2 C17_2 -42.1 . . . . ?
N10_2 C9_2 C16_2 C17_2 142.9 . . . . ?
C15_2 C16_2 C17_2 C18_2 0.0 . . . . ?
C9_2 C16_2 C17_2 C18_2 -168.2 . . . . ?
C16_2 C17_2 C18_2 N13_2 0.0 . . . . ?
C14_2 N13_2 C18_2 C17_2 0.0 . . . . ?
Pd7_7 N13_2 C18_2 C17_2 171.0 . . . . ?
C24_2 N19_2 C20_2 C21_2 0.0 . . . . ?
C25_2 N19_2 C20_2 C21_2 -170.1 . . . . ?
N19_2 C20_2 C21_2 C22_2 0.0 . . . . ?
C20_2 C21_2 C22_2 C23_2 0.0 . . . . ?
C20_2 C21_2 C22_2 C11_2 -175.8 . . . . ?
N12_2 C11_2 C22_2 C23_2 -173.8 . . . . ?
N10_2 C11_2 C22_2 C23_2 5.0 . . . . ?
N12_2 C11_2 C22_2 C21_2 2.0 . . . . ?
N10_2 C11_2 C22_2 C21_2 -179.2 . . . . ?
C21_2 C22_2 C23_2 C24_2 0.0 . . . . ?
C11_2 C22_2 C23_2 C24_2 175.8 . . . . ?
C22_2 C23_2 C24_2 N19_2 0.0 . . . . ?
C20_2 N19_2 C24_2 C23_2 0.0 . . . . ?
C25_2 N19_2 C24_2 C23_2 171.4 . . . . ?
C20_2 N19_2 C25_2 C26_2 122.0 . . . . ?
C24_2 N19_2 C25_2 C26_2 -48.7 . . . . ?
N19_2 C25_2 C26_2 C27_2 118.7 . . . . ?
N19_2 C25_2 C26_2 C31_2 -51.1 . . . . ?
C31_2 C26_2 C27_2 C28_2 0.0 . . . . ?
C25_2 C26_2 C27_2 C28_2 -169.9 . . . . ?
C26_2 C27_2 C28_2 C29_2 0.0 . . . . ?
C27_2 C28_2 C29_2 C32_2 175.5 . . . . ?
C27_2 C28_2 C29_2 C30_2 0.0 . . . . ?
C32_2 C29_2 C30_2 C31_2 -175.7 . . . . ?
C28_2 C29_2 C30_2 C31_2 0.0 . . . . ?
C29_2 C30_2 C31_2 C26_2 0.0 . . . . ?
C27_2 C26_2 C31_2 C30_2 0.0 . . . . ?
C25_2 C26_2 C31_2 C30_2 169.6 . . . . ?
C30_2 C29_2 C32_2 N33_2 54.8 . . . . ?
C28_2 C29_2 C32_2 N33_2 -120.8 . . . . ?
C29_2 C32_2 N33_2 C34_2 51.9 . . . . ?
C29_2 C32_2 N33_2 C38_2 -120.9 . . . . ?
C38_2 N33_2 C34_2 C35_2 0.0 . . . . ?
C32_2 N33_2 C34_2 C35_2 -173.1 . . . . ?
N33_2 C34_2 C35_2 C36_2 0.0 . . . . ?
C34_2 C35_2 C36_2 C39_2 179.7 . . . . ?
C34_2 C35_2 C36_2 C37_2 0.0 . . . . ?
C39_2 C36_2 C37_2 C38_2 -179.7 . . . . ?
C35_2 C36_2 C37_2 C38_2 0.0 . . . . ?
C36_2 C37_2 C38_2 N33_2 0.0 . . . . ?
C34_2 N33_2 C38_2 C37_2 0.0 . . . . ?
C32_2 N33_2 C38_2 C37_2 172.5 . . . . ?
C37_2 C36_2 C39_2 N44_2 -1.8 . . . . ?
C35_2 C36_2 C39_2 N44_2 178.5 . . . . ?
C37_2 C36_2 C39_2 N40_2 175.1 . . . . ?
C35_2 C36_2 C39_2 N40_2 -4.6 . . . . ?
C36_2 C39_2 N40_2 C41_2 -178.9 . . . . ?
N44_2 C39_2 N40_2 C41_2 -1.5 . . . . ?
C39_2 N40_2 C41_2 N42_2 3.8 . . . . ?
C39_2 N40_2 C41_2 C54_2 176.8 . . . . ?
N40_2 C41_2 N42_2 C43_2 -4.4 . . . . ?
C54_2 C41_2 N42_2 C43_2 -177.5 . . . . ?
C41_2 N42_2 C43_2 C48_2 -178.1 . . . . ?
C41_2 N42_2 C43_2 N44_2 2.8 . . . . ?
C48_2 C43_2 N44_2 C39_2 -179.5 . . . . ?
N42_2 C43_2 N44_2 C39_2 -0.4 . . . . ?
C36_2 C39_2 N44_2 C43_2 177.1 . . . . ?
N40_2 C39_2 N44_2 C43_2 -0.2 . . . . ?
C50_2 N45_2 C46_2 C47_2 0.0 . . . . ?
Pd6_7 N45_2 C46_2 C47_2 -174.4 . . . . ?
N45_2 C46_2 C47_2 C48_2 0.0 . . . . ?
N44_2 C43_2 C48_2 C47_2 -22.9 . . . . ?
N42_2 C43_2 C48_2 C47_2 158.1 . . . . ?
N44_2 C43_2 C48_2 C49_2 167.9 . . . . ?
N42_2 C43_2 C48_2 C49_2 -11.1 . . . . ?
C46_2 C47_2 C48_2 C43_2 -169.0 . . . . ?
C46_2 C47_2 C48_2 C49_2 0.0 . . . . ?
C43_2 C48_2 C49_2 C50_2 169.2 . . . . ?
C47_2 C48_2 C49_2 C50_2 0.0 . . . . ?
C48_2 C49_2 C50_2 N45_2 0.0 . . . . ?
C46_2 N45_2 C50_2 C49_2 0.0 . . . . ?
Pd6_7 N45_2 C50_2 C49_2 174.4 . . . . ?
C56_2 N51_2 C52_2 C53_2 0.0 . . . . ?
Pd7_7 N51_2 C52_2 C53_2 -167.2 . . . . ?
N51_2 C52_2 C53_2 C54_2 0.0 . . . . ?
C52_2 C53_2 C54_2 C55_2 0.0 . . . . ?
C52_2 C53_2 C54_2 C41_2 -176.9 . . . . ?
N40_2 C41_2 C54_2 C53_2 -154.6 . . . . ?
N42_2 C41_2 C54_2 C53_2 18.3 . . . . ?
N40_2 C41_2 C54_2 C55_2 28.3 . . . . ?
N42_2 C41_2 C54_2 C55_2 -158.8 . . . . ?
C53_2 C54_2 C55_2 C56_2 0.0 . . . . ?
C41_2 C54_2 C55_2 C56_2 177.2 . . . . ?
C54_2 C55_2 C56_2 N51_2 0.0 . . . . ?
C52_2 N51_2 C56_2 C55_2 0.0 . . . . ?
Pd7_7 N51_2 C56_2 C55_2 166.8 . . . . ?
C6_3 N1_3 C2_3 C3_3 0.0 . . . . ?
Pd12_7 N1_3 C2_3 C3_3 -179.6 . . . . ?
N1_3 C2_3 C3_3 C4_3 0.0 . . . . ?
C2_3 C3_3 C4_3 C7_3 -177.9 . . . . ?
C2_3 C3_3 C4_3 C5_3 0.0 . . . . ?
C7_3 C4_3 C5_3 C6_3 178.0 . . . . ?
C3_3 C4_3 C5_3 C6_3 0.0 . . . . ?
C4_3 C5_3 C6_3 N1_3 0.0 . . . . ?
C2_3 N1_3 C6_3 C5_3 0.0 . . . . ?
Pd12_7 N1_3 C6_3 C5_3 179.6 . . . . ?
C5_3 C4_3 C7_3 N8_3 170.0 . . . . ?
C3_3 C4_3 C7_3 N8_3 -12.0 . . . . ?
C5_3 C4_3 C7_3 N12_3 -18.4 . . . . ?
C3_3 C4_3 C7_3 N12_3 159.6 . . . . ?
C4_3 C7_3 N8_3 C9_3 171.7 . . . . ?
N12_3 C7_3 N8_3 C9_3 0.0 . . . . ?
C7_3 N8_3 C9_3 C22_3 176.0 . . . . ?
C7_3 N8_3 C9_3 N10_3 0.0 . . . . ?
C22_3 C9_3 N10_3 C11_3 -176.0 . . . . ?
N8_3 C9_3 N10_3 C11_3 0.0 . . . . ?
C9_3 N10_3 C11_3 C16_3 -174.0 . . . . ?
C9_3 N10_3 C11_3 N12_3 0.0 . . . . ?
C16_3 C11_3 N12_3 C7_3 174.0 . . . . ?
N10_3 C11_3 N12_3 C7_3 0.0 . . . . ?
C4_3 C7_3 N12_3 C11_3 -171.6 . . . . ?
N8_3 C7_3 N12_3 C11_3 0.0 . . . . ?
C18_3 N13_3 C14_3 C15_3 0.0 . . . . ?
Pd9_7 N13_3 C14_3 C15_3 -168.5 . . . . ?
N13_3 C14_3 C15_3 C16_3 0.0 . . . . ?
N10_3 C11_3 C16_3 C17_3 18.8 . . . . ?
N12_3 C11_3 C16_3 C17_3 -155.2 . . . . ?
N10_3 C11_3 C16_3 C15_3 -156.3 . . . . ?
N12_3 C11_3 C16_3 C15_3 29.7 . . . . ?
C14_3 C15_3 C16_3 C11_3 175.1 . . . . ?
C14_3 C15_3 C16_3 C17_3 0.0 . . . . ?
C11_3 C16_3 C17_3 C18_3 -175.0 . . . . ?
C15_3 C16_3 C17_3 C18_3 0.0 . . . . ?
C16_3 C17_3 C18_3 N13_3 0.0 . . . . ?
C14_3 N13_3 C18_3 C17_3 0.0 . . . . ?
Pd9_7 N13_3 C18_3 C17_3 168.3 . . . . ?
C24_3 N19_3 C20_3 C21_3 0.0 . . . . ?
C25_3 N19_3 C20_3 C21_3 -173.1 . . . . ?
N19_3 C20_3 C21_3 C22_3 0.0 . . . . ?
N8_3 C9_3 C22_3 C23_3 2.0 . . . . ?
N10_3 C9_3 C22_3 C23_3 178.0 . . . . ?
N8_3 C9_3 C22_3 C21_3 -176.2 . . . . ?
N10_3 C9_3 C22_3 C21_3 -0.2 . . . . ?
C20_3 C21_3 C22_3 C9_3 178.3 . . . . ?
C20_3 C21_3 C22_3 C23_3 0.0 . . . . ?
C9_3 C22_3 C23_3 C24_3 -178.1 . . . . ?
C21_3 C22_3 C23_3 C24_3 0.0 . . . . ?
C22_3 C23_3 C24_3 N19_3 0.0 . . . . ?
C20_3 N19_3 C24_3 C23_3 0.0 . . . . ?
C25_3 N19_3 C24_3 C23_3 173.7 . . . . ?
C20_3 N19_3 C25_3 C26_3 48.1 . . . . ?
C24_3 N19_3 C25_3 C26_3 -125.3 . . . . ?
N19_3 C25_3 C26_3 C27_3 -119.0 . . . . ?
N19_3 C25_3 C26_3 C31_3 60.1 . . . . ?
C25_3 C26_3 C27_3 C28_3 179.1 . . . . ?
C31_3 C26_3 C27_3 C28_3 0.0 . . . . ?
C26_3 C27_3 C28_3 C29_3 0.0 . . . . ?
C27_3 C28_3 C29_3 C30_3 0.0 . . . . ?
C27_3 C28_3 C29_3 C32_3 -169.5 . . . . ?
C28_3 C29_3 C30_3 C31_3 0.0 . . . . ?
C32_3 C29_3 C30_3 C31_3 168.3 . . . . ?
C29_3 C30_3 C31_3 C26_3 0.0 . . . . ?
C25_3 C26_3 C31_3 C30_3 -179.1 . . . . ?
C27_3 C26_3 C31_3 C30_3 0.0 . . . . ?
C28_3 C29_3 C32_3 N33_3 117.8 . . . . ?
C30_3 C29_3 C32_3 N33_3 -51.1 . . . . ?
C29_3 C32_3 N33_3 C34_3 121.2 . . . . ?
C29_3 C32_3 N33_3 C38_3 -57.7 . . . . ?
C38_3 N33_3 C34_3 C35_3 0.0 . . . . ?
C32_3 N33_3 C34_3 C35_3 -178.9 . . . . ?
N33_3 C34_3 C35_3 C36_3 0.0 . . . . ?
C34_3 C35_3 C36_3 C37_3 0.0 . . . . ?
C34_3 C35_3 C36_3 C39_3 -177.7 . . . . ?
C35_3 C36_3 C37_3 C38_3 0.0 . . . . ?
C39_3 C36_3 C37_3 C38_3 177.6 . . . . ?
C36_3 C37_3 C38_3 N33_3 0.0 . . . . ?
C34_3 N33_3 C38_3 C37_3 0.0 . . . . ?
C32_3 N33_3 C38_3 C37_3 178.9 . . . . ?
C35_3 C36_3 C39_3 N40_3 1.0 . . . . ?
C37_3 C36_3 C39_3 N40_3 -176.6 . . . . ?
C35_3 C36_3 C39_3 N44_3 -174.7 . . . . ?
C37_3 C36_3 C39_3 N44_3 7.6 . . . . ?
N44_3 C39_3 N40_3 C41_3 0.0 . . . . ?
C36_3 C39_3 N40_3 C41_3 -175.9 . . . . ?
C39_3 N40_3 C41_3 C54_3 -173.3 . . . . ?
C39_3 N40_3 C41_3 N42_3 0.0 . . . . ?
C54_3 C41_3 N42_3 C43_3 172.8 . . . . ?
N40_3 C41_3 N42_3 C43_3 0.0 . . . . ?
C41_3 N42_3 C43_3 C48_3 178.9 . . . . ?
C41_3 N42_3 C43_3 N44_3 0.0 . . . . ?
C48_3 C43_3 N44_3 C39_3 -179.0 . . . . ?
N42_3 C43_3 N44_3 C39_3 0.0 . . . . ?
N40_3 C39_3 N44_3 C43_3 0.0 . . . . ?
C36_3 C39_3 N44_3 C43_3 175.7 . . . . ?
C50_3 N45_3 C46_3 C47_3 0.0 . . . . ?
Pd9_7 N45_3 C46_3 C47_3 -166.5 . . . . ?
N45_3 C46_3 C47_3 C48_3 0.0 . . . . ?
N42_3 C43_3 C48_3 C49_3 -30.2 . . . . ?
N44_3 C43_3 C48_3 C49_3 148.8 . . . . ?
N42_3 C43_3 C48_3 C47_3 154.4 . . . . ?
N44_3 C43_3 C48_3 C47_3 -26.6 . . . . ?
C46_3 C47_3 C48_3 C43_3 175.5 . . . . ?
C46_3 C47_3 C48_3 C49_3 0.0 . . . . ?
C43_3 C48_3 C49_3 C50_3 -175.4 . . . . ?
C47_3 C48_3 C49_3 C50_3 0.0 . . . . ?
C48_3 C49_3 C50_3 N45_3 0.0 . . . . ?
C46_3 N45_3 C50_3 C49_3 0.0 . . . . ?
Pd9_7 N45_3 C50_3 C49_3 166.1 . . . . ?
C56_3 N51_3 C52_3 C53_3 0.0 . . . . ?
Pd10_7 N51_3 C52_3 C53_3 -178.1 . . . . ?
N51_3 C52_3 C53_3 C54_3 0.0 . . . . ?
N40_3 C41_3 C54_3 C53_3 8.5 . . . . ?
N42_3 C41_3 C54_3 C53_3 -164.6 . . . . ?
N40_3 C41_3 C54_3 C55_3 -176.8 . . . . ?
N42_3 C41_3 C54_3 C55_3 10.2 . . . . ?
C52_3 C53_3 C54_3 C41_3 174.7 . . . . ?
C52_3 C53_3 C54_3 C55_3 0.0 . . . . ?
C41_3 C54_3 C55_3 C56_3 -174.8 . . . . ?
C53_3 C54_3 C55_3 C56_3 0.0 . . . . ?
C54_3 C55_3 C56_3 N51_3 0.0 . . . . ?
C52_3 N51_3 C56_3 C55_3 0.0 . . . . ?
Pd10_7 N51_3 C56_3 C55_3 177.8 . . . . ?
C6_4 N1_4 C2_4 C3_4 0.0 . . . . ?
Pd10_7 N1_4 C2_4 C3_4 -166.7 . . . . ?
N1_4 C2_4 C3_4 C4_4 0.0 . . . . ?
C2_4 C3_4 C4_4 C7_4 -174.5 . . . . ?
C2_4 C3_4 C4_4 C5_4 0.0 . . . . ?
C7_4 C4_4 C5_4 C6_4 173.8 . . . . ?
C3_4 C4_4 C5_4 C6_4 0.0 . . . . ?
C4_4 C5_4 C6_4 N1_4 0.0 . . . . ?
C2_4 N1_4 C6_4 C5_4 0.0 . . . . ?
Pd10_7 N1_4 C6_4 C5_4 166.2 . . . . ?
C3_4 C4_4 C7_4 N8_4 -10.0 . . . . ?
C5_4 C4_4 C7_4 N8_4 175.9 . . . . ?
C3_4 C4_4 C7_4 N12_4 172.5 . . . . ?
C5_4 C4_4 C7_4 N12_4 -1.7 . . . . ?
C4_4 C7_4 N8_4 C9_4 -177.4 . . . . ?
N12_4 C7_4 N8_4 C9_4 0.0 . . . . ?
C7_4 N8_4 C9_4 C22_4 -179.8 . . . . ?
C7_4 N8_4 C9_4 N10_4 0.0 . . . . ?
C22_4 C9_4 N10_4 C11_4 179.8 . . . . ?
N8_4 C9_4 N10_4 C11_4 0.0 . . . . ?
C9_4 N10_4 C11_4 C16_4 -171.3 . . . . ?
C9_4 N10_4 C11_4 N12_4 0.0 . . . . ?
C16_4 C11_4 N12_4 C7_4 170.4 . . . . ?
N10_4 C11_4 N12_4 C7_4 0.0 . . . . ?
C4_4 C7_4 N12_4 C11_4 177.7 . . . . ?
N8_4 C7_4 N12_4 C11_4 0.0 . . . . ?
C18_4 N13_4 C14_4 C15_4 -6.0 . . . . ?
Pd11_7 N13_4 C14_4 C15_4 -169.8 . . . . ?
N13_4 C14_4 C15_4 C16_4 0.8 . . . . ?
N10_4 C11_4 C16_4 C17_4 12.1 . . . . ?
N12_4 C11_4 C16_4 C17_4 -158.7 . . . . ?
N10_4 C11_4 C16_4 C15_4 -161.6 . . . . ?
N12_4 C11_4 C16_4 C15_4 27.5 . . . . ?
C14_4 C15_4 C16_4 C11_4 178.2 . . . . ?
C14_4 C15_4 C16_4 C17_4 3.6 . . . . ?
C11_4 C16_4 C17_4 C18_4 -178.7 . . . . ?
C15_4 C16_4 C17_4 C18_4 -4.1 . . . . ?
C14_4 N13_4 C18_4 C17_4 5.7 . . . . ?
Pd11_7 N13_4 C18_4 C17_4 170.5 . . . . ?
C16_4 C17_4 C18_4 N13_4 -0.2 . . . . ?
C24_4 N19_4 C20_4 C21_4 0.0 . . . . ?
C25_4 N19_4 C20_4 C21_4 -171.4 . . . . ?
N19_4 C20_4 C21_4 C22_4 0.0 . . . . ?
N8_4 C9_4 C22_4 C21_4 175.5 . . . . ?
N10_4 C9_4 C22_4 C21_4 -4.3 . . . . ?
N8_4 C9_4 C22_4 C23_4 1.1 . . . . ?
N10_4 C9_4 C22_4 C23_4 -178.7 . . . . ?
C20_4 C21_4 C22_4 C9_4 -174.5 . . . . ?
C20_4 C21_4 C22_4 C23_4 0.0 . . . . ?
C9_4 C22_4 C23_4 C24_4 174.3 . . . . ?
C21_4 C22_4 C23_4 C24_4 0.0 . . . . ?
C22_4 C23_4 C24_4 N19_4 0.0 . . . . ?
C20_4 N19_4 C24_4 C23_4 0.0 . . . . ?
C25_4 N19_4 C24_4 C23_4 170.4 . . . . ?
C20_4 N19_4 C25_4 C26_4 48.9 . . . . ?
C24_4 N19_4 C25_4 C26_4 -122.0 . . . . ?
N19_4 C25_4 C26_4 C27_4 59.5 . . . . ?
N19_4 C25_4 C26_4 C31_4 -112.3 . . . . ?
C31_4 C26_4 C27_4 C28_4 0.0 . . . . ?
C25_4 C26_4 C27_4 C28_4 -171.7 . . . . ?
C26_4 C27_4 C28_4 C29_4 0.0 . . . . ?
C27_4 C28_4 C29_4 C30_4 0.0 . . . . ?
C27_4 C28_4 C29_4 C32_4 170.7 . . . . ?
C28_4 C29_4 C30_4 C31_4 0.0 . . . . ?
C32_4 C29_4 C30_4 C31_4 -170.9 . . . . ?
C29_4 C30_4 C31_4 C26_4 0.0 . . . . ?
C27_4 C26_4 C31_4 C30_4 0.0 . . . . ?
C25_4 C26_4 C31_4 C30_4 171.9 . . . . ?
C28_4 C29_4 C32_4 N33_4 -72.1 . . . . ?
C30_4 C29_4 C32_4 N33_4 98.8 . . . . ?
C29_4 C32_4 N33_4 C38_4 -22.0 . . . . ?
C29_4 C32_4 N33_4 C34_4 150.3 . . . . ?
C38_4 N33_4 C34_4 C35_4 -1.0 . . . . ?
C32_4 N33_4 C34_4 C35_4 -173.7 . . . . ?
N33_4 C34_4 C35_4 C36_4 -1.7 . . . . ?
C34_4 C35_4 C36_4 C37_4 4.3 . . . . ?
C34_4 C35_4 C36_4 C39_4 178.5 . . . . ?
C35_4 C36_4 C37_4 C38_4 -4.1 . . . . ?
C39_4 C36_4 C37_4 C38_4 -178.8 . . . . ?
C34_4 N33_4 C38_4 C37_4 0.8 . . . . ?
C32_4 N33_4 C38_4 C37_4 173.1 . . . . ?
C36_4 C37_4 C38_4 N33_4 1.8 . . . . ?
C35_4 C36_4 C39_4 N44_4 158.3 . . . . ?
C37_4 C36_4 C39_4 N44_4 -27.6 . . . . ?
C35_4 C36_4 C39_4 N40_4 -9.3 . . . . ?
C37_4 C36_4 C39_4 N40_4 164.8 . . . . ?
N44_4 C39_4 N40_4 C41_4 11.9 . . . . ?
C36_4 C39_4 N40_4 C41_4 178.3 . . . . ?
C39_4 N40_4 C41_4 N42_4 3.2 . . . . ?
C39_4 N40_4 C41_4 C54_4 178.5 . . . . ?
N40_4 C41_4 N42_4 C43_4 -11.5 . . . . ?
C54_4 C41_4 N42_4 C43_4 173.2 . . . . ?
C41_4 N42_4 C43_4 N44_4 6.0 . . . . ?
C41_4 N42_4 C43_4 C48_4 -173.4 . . . . ?
N40_4 C39_4 N44_4 C43_4 -17.3 . . . . ?
C36_4 C39_4 N44_4 C43_4 176.0 . . . . ?
N42_4 C43_4 N44_4 C39_4 7.7 . . . . ?
C48_4 C43_4 N44_4 C39_4 -172.9 . . . . ?
C50_4 N45_4 C46_4 C47_4 0.0 . . . . ?
Pd11_7 N45_4 C46_4 C47_4 -163.2 . . . . ?
N45_4 C46_4 C47_4 C48_4 0.0 . . . . ?
C46_4 C47_4 C48_4 C49_4 0.0 . . . . ?
C46_4 C47_4 C48_4 C43_4 177.9 . . . . ?
N44_4 C43_4 C48_4 C49_4 151.5 . . . . ?
N42_4 C43_4 C48_4 C49_4 -29.1 . . . . ?
N44_4 C43_4 C48_4 C47_4 -26.4 . . . . ?
N42_4 C43_4 C48_4 C47_4 153.0 . . . . ?
C47_4 C48_4 C49_4 C50_4 0.0 . . . . ?
C43_4 C48_4 C49_4 C50_4 -177.9 . . . . ?
C46_4 N45_4 C50_4 C49_4 0.0 . . . . ?
Pd11_7 N45_4 C50_4 C49_4 163.0 . . . . ?
C48_4 C49_4 C50_4 N45_4 0.0 . . . . ?
C56_4 N51_4 C52_4 C53_4 0.0 . . . . ?
Pd12_7 N51_4 C52_4 C53_4 -169.2 . . . . ?
N51_4 C52_4 C53_4 C54_4 0.0 . . . . ?
C52_4 C53_4 C54_4 C55_4 0.0 . . . . ?
C52_4 C53_4 C54_4 C41_4 -176.8 . . . . ?
N40_4 C41_4 C54_4 C53_4 -156.0 . . . . ?
N42_4 C41_4 C54_4 C53_4 19.3 . . . . ?
N40_4 C41_4 C54_4 C55_4 27.1 . . . . ?
N42_4 C41_4 C54_4 C55_4 -157.6 . . . . ?
C53_4 C54_4 C55_4 C56_4 0.0 . . . . ?
C41_4 C54_4 C55_4 C56_4 176.9 . . . . ?
C54_4 C55_4 C56_4 N51_4 0.0 . . . . ?
C52_4 N51_4 C56_4 C55_4 0.0 . . . . ?
Pd12_7 N51_4 C56_4 C55_4 168.9 . . . . ?
C6_5 N1_5 C2_5 C3_5 0.0 . . . . ?
Pd3_7 N1_5 C2_5 C3_5 -172.9 . . . . ?
N1_5 C2_5 C3_5 C4_5 0.0 . . . . ?
C2_5 C3_5 C4_5 C7_5 171.5 . . . . ?
C2_5 C3_5 C4_5 C5_5 0.0 . . . . ?
C7_5 C4_5 C5_5 C6_5 -171.3 . . . . ?
C3_5 C4_5 C5_5 C6_5 0.0 . . . . ?
C4_5 C5_5 C6_5 N1_5 0.0 . . . . ?
C2_5 N1_5 C6_5 C5_5 0.0 . . . . ?
Pd3_7 N1_5 C6_5 C5_5 173.1 . . . . ?
C3_5 C4_5 C7_5 N8_5 -24.8 . . . . ?
C5_5 C4_5 C7_5 N8_5 146.6 . . . . ?
C3_5 C4_5 C7_5 N12_5 157.6 . . . . ?
C5_5 C4_5 C7_5 N12_5 -31.0 . . . . ?
C4_5 C7_5 N8_5 C9_5 -177.6 . . . . ?
N12_5 C7_5 N8_5 C9_5 0.0 . . . . ?
C7_5 N8_5 C9_5 N10_5 0.0 . . . . ?
C7_5 N8_5 C9_5 C22_5 173.8 . . . . ?
N8_5 C9_5 N10_5 C11_5 0.0 . . . . ?
C22_5 C9_5 N10_5 C11_5 -174.1 . . . . ?
C9_5 N10_5 C11_5 N12_5 0.0 . . . . ?
C9_5 N10_5 C11_5 C16_5 -176.0 . . . . ?
N10_5 C11_5 N12_5 C7_5 0.0 . . . . ?
C16_5 C11_5 N12_5 C7_5 175.2 . . . . ?
C4_5 C7_5 N12_5 C11_5 177.6 . . . . ?
N8_5 C7_5 N12_5 C11_5 0.0 . . . . ?
C18_5 N13_5 C14_5 C15_5 0.0 . . . . ?
Pd2_7 N13_5 C14_5 C15_5 -174.0 . . . . ?
N13_5 C14_5 C15_5 C16_5 0.0 . . . . ?
C14_5 C15_5 C16_5 C17_5 0.0 . . . . ?
C14_5 C15_5 C16_5 C11_5 -168.7 . . . . ?
N10_5 C11_5 C16_5 C15_5 -178.9 . . . . ?
N12_5 C11_5 C16_5 C15_5 5.5 . . . . ?
N10_5 C11_5 C16_5 C17_5 12.5 . . . . ?
N12_5 C11_5 C16_5 C17_5 -163.0 . . . . ?
C15_5 C16_5 C17_5 C18_5 0.0 . . . . ?
C11_5 C16_5 C17_5 C18_5 168.3 . . . . ?
C16_5 C17_5 C18_5 N13_5 0.0 . . . . ?
C14_5 N13_5 C18_5 C17_5 0.0 . . . . ?
Pd2_7 N13_5 C18_5 C17_5 173.9 . . . . ?
C25_5 N19_5 C20_5 C21_5 178.6 . . . . ?
C24_5 N19_5 C20_5 C21_5 0.0 . . . . ?
N19_5 C20_5 C21_5 C22_5 0.0 . . . . ?
C20_5 C21_5 C22_5 C23_5 0.0 . . . . ?
C20_5 C21_5 C22_5 C9_5 -175.7 . . . . ?
N8_5 C9_5 C22_5 C21_5 -176.2 . . . . ?
N10_5 C9_5 C22_5 C21_5 -2.3 . . . . ?
N8_5 C9_5 C22_5 C23_5 8.0 . . . . ?
N10_5 C9_5 C22_5 C23_5 -178.0 . . . . ?
C21_5 C22_5 C23_5 C24_5 0.0 . . . . ?
C9_5 C22_5 C23_5 C24_5 175.7 . . . . ?
C22_5 C23_5 C24_5 N19_5 0.0 . . . . ?
C25_5 N19_5 C24_5 C23_5 -178.8 . . . . ?
C20_5 N19_5 C24_5 C23_5 0.0 . . . . ?
C20_5 N19_5 C25_5 C26_5 126.6 . . . . ?
C24_5 N19_5 C25_5 C26_5 -54.7 . . . . ?
N19_5 C25_5 C26_5 C27_5 -53.1 . . . . ?
N19_5 C25_5 C26_5 C31_5 118.0 . . . . ?
C31_5 C26_5 C27_5 C28_5 0.0 . . . . ?
C25_5 C26_5 C27_5 C28_5 171.3 . . . . ?
C26_5 C27_5 C28_5 C29_5 0.0 . . . . ?
C27_5 C28_5 C29_5 C30_5 0.0 . . . . ?
C27_5 C28_5 C29_5 C32_5 -171.1 . . . . ?
C28_5 C29_5 C30_5 C31_5 0.0 . . . . ?
C32_5 C29_5 C30_5 C31_5 171.5 . . . . ?
C29_5 C30_5 C31_5 C26_5 0.0 . . . . ?
C27_5 C26_5 C31_5 C30_5 0.0 . . . . ?
C25_5 C26_5 C31_5 C30_5 -171.0 . . . . ?
C28_5 C29_5 C32_5 N33_5 55.4 . . . . ?
C30_5 C29_5 C32_5 N33_5 -116.0 . . . . ?
C29_5 C32_5 N33_5 C34_5 46.9 . . . . ?
C29_5 C32_5 N33_5 C38_5 -130.0 . . . . ?
C38_5 N33_5 C34_5 C35_5 0.0 . . . . ?
C32_5 N33_5 C34_5 C35_5 -176.9 . . . . ?
N33_5 C34_5 C35_5 C36_5 0.0 . . . . ?
C34_5 C35_5 C36_5 C37_5 0.0 . . . . ?
C34_5 C35_5 C36_5 C39_5 -173.8 . . . . ?
C35_5 C36_5 C37_5 C38_5 0.0 . . . . ?
C39_5 C36_5 C37_5 C38_5 173.2 . . . . ?
C36_5 C37_5 C38_5 N33_5 0.0 . . . . ?
C34_5 N33_5 C38_5 C37_5 0.0 . . . . ?
C32_5 N33_5 C38_5 C37_5 177.0 . . . . ?
C37_5 C36_5 C39_5 N40_5 179.4 . . . . ?
C35_5 C36_5 C39_5 N40_5 -7.1 . . . . ?
C37_5 C36_5 C39_5 N44_5 10.7 . . . . ?
C35_5 C36_5 C39_5 N44_5 -175.9 . . . . ?
N44_5 C39_5 N40_5 C41_5 0.0 . . . . ?
C36_5 C39_5 N40_5 C41_5 -168.2 . . . . ?
C39_5 N40_5 C41_5 C48_5 -171.4 . . . . ?
C39_5 N40_5 C41_5 N42_5 0.0 . . . . ?
C48_5 C41_5 N42_5 C43_5 170.7 . . . . ?
N40_5 C41_5 N42_5 C43_5 0.0 . . . . ?
C41_5 N42_5 C43_5 N44_5 0.0 . . . . ?
C41_5 N42_5 C43_5 C54_5 -177.5 . . . . ?
N42_5 C43_5 N44_5 C39_5 0.0 . . . . ?
C54_5 C43_5 N44_5 C39_5 177.2 . . . . ?
N40_5 C39_5 N44_5 C43_5 0.0 . . . . ?
C36_5 C39_5 N44_5 C43_5 169.3 . . . . ?
C50_5 N45_5 C46_5 C47_5 0.0 . . . . ?
Pd3_7 N45_5 C46_5 C47_5 168.2 . . . . ?
N45_5 C46_5 C47_5 C48_5 0.0 . . . . ?
N40_5 C41_5 C48_5 C49_5 -158.9 . . . . ?
N42_5 C41_5 C48_5 C49_5 30.0 . . . . ?
N40_5 C41_5 C48_5 C47_5 16.3 . . . . ?
N42_5 C41_5 C48_5 C47_5 -154.7 . . . . ?
C46_5 C47_5 C48_5 C41_5 -175.2 . . . . ?
C46_5 C47_5 C48_5 C49_5 0.0 . . . . ?
C41_5 C48_5 C49_5 C50_5 175.3 . . . . ?
C47_5 C48_5 C49_5 C50_5 0.0 . . . . ?
C48_5 C49_5 C50_5 N45_5 0.0 . . . . ?
C46_5 N45_5 C50_5 C49_5 0.0 . . . . ?
Pd3_7 N45_5 C50_5 C49_5 -168.5 . . . . ?
C56_5 N51_5 C52_5 C53_5 0.0 . . . . ?
Pd4_7 N51_5 C52_5 C53_5 176.8 . . . . ?
N51_5 C52_5 C53_5 C54_5 0.0 . . . . ?
C52_5 C53_5 C54_5 C55_5 0.0 . . . . ?
C52_5 C53_5 C54_5 C43_5 -178.7 . . . . ?
N42_5 C43_5 C54_5 C55_5 -11.9 . . . . ?
N44_5 C43_5 C54_5 C55_5 170.8 . . . . ?
N42_5 C43_5 C54_5 C53_5 166.8 . . . . ?
N44_5 C43_5 C54_5 C53_5 -10.6 . . . . ?
C53_5 C54_5 C55_5 C56_5 0.0 . . . . ?
C43_5 C54_5 C55_5 C56_5 178.6 . . . . ?
C54_5 C55_5 C56_5 N51_5 0.0 . . . . ?
C52_5 N51_5 C56_5 C55_5 0.0 . . . . ?
Pd4_7 N51_5 C56_5 C55_5 -177.2 . . . . ?
C6_6 N1_6 C2_6 C3_6 0.0 . . . . ?
Pd1_7 N1_6 C2_6 C3_6 -165.3 . . . . ?
N1_6 C2_6 C3_6 C4_6 0.0 . . . . ?
C2_6 C3_6 C4_6 C7_6 174.6 . . . . ?
C2_6 C3_6 C4_6 C5_6 0.0 . . . . ?
C7_6 C4_6 C5_6 C6_6 -174.8 . . . . ?
C3_6 C4_6 C5_6 C6_6 0.0 . . . . ?
C2_6 N1_6 C6_6 C5_6 0.0 . . . . ?
Pd1_7 N1_6 C6_6 C5_6 165.0 . . . . ?
C4_6 C5_6 C6_6 N1_6 0.0 . . . . ?
C5_6 C4_6 C7_6 N8_6 149.5 . . . . ?
C3_6 C4_6 C7_6 N8_6 -25.2 . . . . ?
C5_6 C4_6 C7_6 N12_6 -34.7 . . . . ?
C3_6 C4_6 C7_6 N12_6 150.6 . . . . ?
C4_6 C7_6 N8_6 C9_6 175.9 . . . . ?
N12_6 C7_6 N8_6 C9_6 0.0 . . . . ?
C7_6 N8_6 C9_6 C22_6 175.9 . . . . ?
C7_6 N8_6 C9_6 N10_6 0.0 . . . . ?
C22_6 C9_6 N10_6 C11_6 -176.1 . . . . ?
N8_6 C9_6 N10_6 C11_6 0.0 . . . . ?
C9_6 N10_6 C11_6 N12_6 0.0 . . . . ?
C9_6 N10_6 C11_6 C16_6 -177.7 . . . . ?
N10_6 C11_6 N12_6 C7_6 0.0 . . . . ?
C16_6 C11_6 N12_6 C7_6 177.9 . . . . ?
C4_6 C7_6 N12_6 C11_6 -175.6 . . . . ?
N8_6 C7_6 N12_6 C11_6 0.0 . . . . ?
C18_6 N13_6 C14_6 C15_6 0.0 . . . . ?
Pd4_7 N13_6 C14_6 C15_6 176.7 . . . . ?
N13_6 C14_6 C15_6 C16_6 0.0 . . . . ?
C14_6 C15_6 C16_6 C17_6 0.0 . . . . ?
C14_6 C15_6 C16_6 C11_6 178.9 . . . . ?
N12_6 C11_6 C16_6 C15_6 20.3 . . . . ?
N10_6 C11_6 C16_6 C15_6 -161.9 . . . . ?
N12_6 C11_6 C16_6 C17_6 -160.7 . . . . ?
N10_6 C11_6 C16_6 C17_6 17.0 . . . . ?
C15_6 C16_6 C17_6 C18_6 0.0 . . . . ?
C11_6 C16_6 C17_6 C18_6 -179.0 . . . . ?
C16_6 C17_6 C18_6 N13_6 0.0 . . . . ?
C14_6 N13_6 C18_6 C17_6 0.0 . . . . ?
Pd4_7 N13_6 C18_6 C17_6 -176.8 . . . . ?
C24_6 N19_6 C20_6 C21_6 0.0 . . . . ?
C25_6 N19_6 C20_6 C21_6 -176.7 . . . . ?
N19_6 C20_6 C21_6 C22_6 0.0 . . . . ?
N8_6 C9_6 C22_6 C21_6 171.3 . . . . ?
N10_6 C9_6 C22_6 C21_6 -12.7 . . . . ?
N8_6 C9_6 C22_6 C23_6 -10.3 . . . . ?
N10_6 C9_6 C22_6 C23_6 165.6 . . . . ?
C20_6 C21_6 C22_6 C9_6 178.3 . . . . ?
C20_6 C21_6 C22_6 C23_6 0.0 . . . . ?
C9_6 C22_6 C23_6 C24_6 -178.5 . . . . ?
C21_6 C22_6 C23_6 C24_6 0.0 . . . . ?
C22_6 C23_6 C24_6 N19_6 0.0 . . . . ?
C20_6 N19_6 C24_6 C23_6 0.0 . . . . ?
C25_6 N19_6 C24_6 C23_6 176.7 . . . . ?
C20_6 N19_6 C25_6 C26_6 152.0 . . . . ?
C24_6 N19_6 C25_6 C26_6 -24.7 . . . . ?
N19_6 C25_6 C26_6 C27_6 92.2 . . . . ?
N19_6 C25_6 C26_6 C31_6 -76.1 . . . . ?
C31_6 C26_6 C27_6 C28_6 0.0 . . . . ?
C25_6 C26_6 C27_6 C28_6 -167.9 . . . . ?
C26_6 C27_6 C28_6 C29_6 0.0 . . . . ?
C27_6 C28_6 C29_6 C30_6 0.0 . . . . ?
C27_6 C28_6 C29_6 C32_6 171.6 . . . . ?
C28_6 C29_6 C30_6 C31_6 0.0 . . . . ?
C32_6 C29_6 C30_6 C31_6 -171.9 . . . . ?
C29_6 C30_6 C31_6 C26_6 0.0 . . . . ?
C27_6 C26_6 C31_6 C30_6 0.0 . . . . ?
C25_6 C26_6 C31_6 C30_6 168.5 . . . . ?
C28_6 C29_6 C32_6 N33_6 -106.2 . . . . ?
C30_6 C29_6 C32_6 N33_6 65.6 . . . . ?
C29_6 C32_6 N33_6 C34_6 43.8 . . . . ?
C29_6 C32_6 N33_6 C38_6 -129.8 . . . . ?
C38_6 N33_6 C34_6 C35_6 1.8 . . . . ?
C32_6 N33_6 C34_6 C35_6 -171.8 . . . . ?
N33_6 C34_6 C35_6 C36_6 -7.4 . . . . ?
C34_6 C35_6 C36_6 C37_6 8.8 . . . . ?
C34_6 C35_6 C36_6 C39_6 -179.0 . . . . ?
C39_6 C36_6 C37_6 C38_6 -174.4 . . . . ?
C35_6 C36_6 C37_6 C38_6 -4.0 . . . . ?
C36_6 C37_6 C38_6 N33_6 -2.3 . . . . ?
C34_6 N33_6 C38_6 C37_6 3.4 . . . . ?
C32_6 N33_6 C38_6 C37_6 176.7 . . . . ?
C37_6 C36_6 C39_6 N40_6 -178.0 . . . . ?
C35_6 C36_6 C39_6 N40_6 10.5 . . . . ?
C37_6 C36_6 C39_6 N44_6 -5.5 . . . . ?
C35_6 C36_6 C39_6 N44_6 -177.0 . . . . ?
N44_6 C39_6 N40_6 C41_6 0.0 . . . . ?
C36_6 C39_6 N40_6 C41_6 172.3 . . . . ?
C39_6 N40_6 C41_6 C54_6 -175.8 . . . . ?
C39_6 N40_6 C41_6 N42_6 0.0 . . . . ?
C54_6 C41_6 N42_6 C43_6 175.5 . . . . ?
N40_6 C41_6 N42_6 C43_6 0.0 . . . . ?
C41_6 N42_6 C43_6 N44_6 0.0 . . . . ?
C41_6 N42_6 C43_6 C48_6 -179.6 . . . . ?
N42_6 C43_6 N44_6 C39_6 0.0 . . . . ?
C48_6 C43_6 N44_6 C39_6 179.6 . . . . ?
N40_6 C39_6 N44_6 C43_6 0.0 . . . . ?
C36_6 C39_6 N44_6 C43_6 -172.8 . . . . ?
C50_6 N45_6 C46_6 C47_6 0.0 . . . . ?
Pd2_7 N45_6 C46_6 C47_6 -169.1 . . . . ?
N45_6 C46_6 C47_6 C48_6 0.0 . . . . ?
C46_6 C47_6 C48_6 C49_6 0.0 . . . . ?
C46_6 C47_6 C48_6 C43_6 -178.3 . . . . ?
N42_6 C43_6 C48_6 C49_6 -8.2 . . . . ?
N44_6 C43_6 C48_6 C49_6 172.2 . . . . ?
N42_6 C43_6 C48_6 C47_6 170.2 . . . . ?
N44_6 C43_6 C48_6 C47_6 -9.4 . . . . ?
C47_6 C48_6 C49_6 C50_6 0.0 . . . . ?
C43_6 C48_6 C49_6 C50_6 178.4 . . . . ?
C48_6 C49_6 C50_6 N45_6 0.0 . . . . ?
C46_6 N45_6 C50_6 C49_6 0.0 . . . . ?
Pd2_7 N45_6 C50_6 C49_6 168.4 . . . . ?
C56_6 N51_6 C52_6 C53_6 0.0 . . . . ?
Pd1_7 N51_6 C52_6 C53_6 171.3 . . . . ?
N51_6 C52_6 C53_6 C54_6 0.0 . . . . ?
N42_6 C41_6 C54_6 C53_6 -157.7 . . . . ?
N40_6 C41_6 C54_6 C53_6 18.0 . . . . ?
N42_6 C41_6 C54_6 C55_6 19.9 . . . . ?
N40_6 C41_6 C54_6 C55_6 -164.4 . . . . ?
C52_6 C53_6 C54_6 C41_6 177.6 . . . . ?
C52_6 C53_6 C54_6 C55_6 0.0 . . . . ?
C41_6 C54_6 C55_6 C56_6 -177.6 . . . . ?
C53_6 C54_6 C55_6 C56_6 0.0 . . . . ?
C54_6 C55_6 C56_6 N51_6 0.0 . . . . ?
C52_6 N51_6 C56_6 C55_6 0.0 . . . . ?
Pd1_7 N51_6 C56_6 C55_6 -170.3 . . . . ?
C2_7 N3_7 C4_7 C5_7 116.3 . . . . ?
C1_7 N3_7 C4_7 C5_7 -133.7 . . . . ?
Pd1_7 N3_7 C4_7 C5_7 -12.2 . . . . ?
N3_7 C4_7 C5_7 N6_7 12.3 . . . . ?
C4_7 C5_7 N6_7 C7_7 119.7 . . . . ?
C4_7 C5_7 N6_7 C8_7 -122.9 . . . . ?
C4_7 C5_7 N6_7 Pd1_7 -5.6 . . . . ?
C10_7 N11_7 C12_7 C13_7 -99.5 . . . . ?
C9_7 N11_7 C12_7 C13_7 147.5 . . . . ?
Pd2_7 N11_7 C12_7 C13_7 20.5 . . . . ?
N11_7 C12_7 C13_7 N14_7 -29.5 . . . . ?
C12_7 C13_7 N14_7 C15_7 -96.1 . . . . ?
C12_7 C13_7 N14_7 C16_7 147.1 . . . . ?
C12_7 C13_7 N14_7 Pd2_7 23.1 . . . . ?
C18_7 N19_7 C20_7 C21_7 -140.5 . . . . ?
C17_7 N19_7 C20_7 C21_7 105.8 . . . . ?
Pd3_7 N19_7 C20_7 C21_7 -16.3 . . . . ?
N19_7 C20_7 C21_7 N22_7 34.1 . . . . ?
C20_7 C21_7 N22_7 C23_7 90.6 . . . . ?
C20_7 C21_7 N22_7 C24_7 -152.3 . . . . ?
C20_7 C21_7 N22_7 Pd3_7 -32.5 . . . . ?
C26_7 N27_7 C28_7 C29_7 119.3 . . . . ?
C25_7 N27_7 C28_7 C29_7 -122.4 . . . . ?
Pd4_7 N27_7 C28_7 C29_7 -2.6 . . . . ?
N27_7 C28_7 C29_7 N30_7 -1.9 . . . . ?
C28_7 C29_7 N30_7 C31_7 -115.4 . . . . ?
C28_7 C29_7 N30_7 C32_7 123.7 . . . . ?
C28_7 C29_7 N30_7 Pd4_7 5.4 . . . . ?
C33_7 N35_7 C36_7 C37_7 -122.4 . . . . ?
C34_7 N35_7 C36_7 C37_7 121.6 . . . . ?
Pd5_7 N35_7 C36_7 C37_7 3.4 . . . . ?
N35_7 C36_7 C37_7 N38_7 2.2 . . . . ?
C36_7 C37_7 N38_7 C40_7 -121.2 . . . . ?
C36_7 C37_7 N38_7 C39_7 118.3 . . . . ?
C36_7 C37_7 N38_7 Pd5_7 -6.5 . . . . ?
C42_7 N43_7 C44_7 C45_7 -128.9 . . . . ?
C41_7 N43_7 C44_7 C45_7 118.5 . . . . ?
Pd6_7 N43_7 C44_7 C45_7 0.6 . . . . ?
N43_7 C44_7 C45_7 N46_7 0.0 . . . . ?
C44_7 C45_7 N46_7 C47_7 -129.3 . . . . ?
C44_7 C45_7 N46_7 C48_7 110.8 . . . . ?
C44_7 C45_7 N46_7 Pd6_7 -0.7 . . . . ?
C49_7 N51_7 C52_7 C53_7 96.2 . . . . ?
C50_7 N51_7 C52_7 C53_7 -147.6 . . . . ?
Pd7_7 N51_7 C52_7 C53_7 -31.1 . . . . ?
N51_7 C52_7 C53_7 N54_7 31.8 . . . . ?
C52_7 C53_7 N54_7 C55_7 -145.8 . . . . ?
C52_7 C53_7 N54_7 C56_7 95.9 . . . . ?
C52_7 C53_7 N54_7 Pd7_7 -14.0 . . . . ?
C55_7 N54_7 C56_7 Pd7_7 121.3 . . . . ?
C53_7 N54_7 C56_7 Pd7_7 -118.7 . . . . ?
C57_7 N59_7 C60_7 C61_7 -101.3 . . . . ?
C58_7 N59_7 C60_7 C61_7 145.1 . . . . ?
Pd8_7 N59_7 C60_7 C61_7 20.0 . . . . ?
N59_7 C60_7 C61_7 N62_7 -22.8 . . . . ?
C60_7 C61_7 N62_7 C63_7 130.8 . . . . ?
C60_7 C61_7 N62_7 C64_7 -109.8 . . . . ?
C60_7 C61_7 N62_7 Pd8_7 13.5 . . . . ?
C65_7 N67_7 C68_7 C69_7 -131.4 . . . . ?
C66_7 N67_7 C68_7 C69_7 114.3 . . . . ?
Pd9_7 N67_7 C68_7 C69_7 -16.8 . . . . ?
N67_7 C68_7 C69_7 N70_7 22.9 . . . . ?
C68_7 C69_7 N70_7 C71_7 -149.5 . . . . ?
C68_7 C69_7 N70_7 C72_7 93.7 . . . . ?
C68_7 C69_7 N70_7 Pd9_7 -16.1 . . . . ?
C74_7 N75_7 C76_7 C77_7 134.0 . . . . ?
C73_7 N75_7 C76_7 C77_7 -115.5 . . . . ?
Pd10_7 N75_7 C76_7 C77_7 8.3 . . . . ?
N75_7 C76_7 C77_7 N78_7 -10.3 . . . . ?
C76_7 C77_7 N78_7 C80_7 127.9 . . . . ?
C76_7 C77_7 N78_7 C79_7 -112.1 . . . . ?
C76_7 C77_7 N78_7 Pd10_7 6.8 . . . . ?
C82_7 N83_7 C84_7 C85_7 94.3 . . . . ?
C81_7 N83_7 C84_7 C85_7 -152.4 . . . . ?
Pd11_7 N83_7 C84_7 C85_7 -31.9 . . . . ?
N83_7 C84_7 C85_7 N86_7 46.5 . . . . ?
C84_7 C85_7 N86_7 C88_7 80.2 . . . . ?
C84_7 C85_7 N86_7 C87_7 -157.7 . . . . ?
C84_7 C85_7 N86_7 Pd11_7 -35.3 . . . . ?
C90_7 N91_7 C92_7 C93_7 139.7 . . . . ?
C89_7 N91_7 C92_7 C93_7 -110.4 . . . . ?
Pd12_7 N91_7 C92_7 C93_7 20.1 . . . . ?
N91_7 C92_7 C93_7 N94_7 -27.3 . . . . ?
C92_7 C93_7 N94_7 C96_7 -96.4 . . . . ?
C92_7 C93_7 N94_7 C95_7 145.1 . . . . ?
C92_7 C93_7 N94_7 Pd12_7 19.7 . . . . ?
W11_8 O4_8 W7_8 O36_8 142.0 . . . . ?
W11_8 O4_8 W7_8 O37_8 -122.1 . . . . ?
W11_8 O4_8 W7_8 O33_8 -43.0 . . . . ?
W11_8 O4_8 W7_8 O38_8 37.0 . . . . ?
W11_8 O4_8 W7_8 O34_8 -47.3 . . . . ?
O6_8 W6_8 O8_8 W1_8 138.3 . . . . ?
O10_8 W6_8 O8_8 W1_8 35.7 . . . . ?
O7_8 W6_8 O8_8 W1_8 -39.9 . . . . ?
O3_8 W6_8 O8_8 W1_8 -121.0 . . . . ?
O12_8 W6_8 O8_8 W1_8 -49.2 . . . . ?
O15_8 W9_8 O9_8 W12_8 -170.0 . . . . ?
O16_8 W9_8 O9_8 W12_8 8.6 . . . . ?
O17_8 W9_8 O9_8 W12_8 -70.3 . . . . ?
O14_8 W9_8 O9_8 W12_8 87.7 . . . . ?
O40_8 W9_8 O9_8 W12_8 1.1 . . . . ?
W11_8 O2_8 W10_8 O11_8 166.2 . . . . ?
W11_8 O2_8 W10_8 O14_8 -90.3 . . . . ?
W11_8 O2_8 W10_8 O7_8 68.6 . . . . ?
W11_8 O2_8 W10_8 O13_8 -13.3 . . . . ?
W11_8 O2_8 W10_8 O12_8 -1.4 . . . . ?
O25_8 W3_8 O10_8 W6_8 129.9 . . . . ?
O26_8 W3_8 O10_8 W6_8 33.7 . . . . ?
O23_8 W3_8 O10_8 W6_8 -60.4 . . . . ?
O19_8 W3_8 O10_8 W6_8 -131.0 . . . . ?
O21_8 W3_8 O10_8 W6_8 -61.9 . . . . ?
W12_8 O5_8 W11_8 O1_8 135.3 . . . . ?
W12_8 O5_8 W11_8 O4_8 36.3 . . . . ?
W12_8 O5_8 W11_8 O3_8 -38.2 . . . . ?
W12_8 O5_8 W11_8 O2_8 -124.1 . . . . ?
W12_8 O5_8 W11_8 O12_8 -53.1 . . . . ?
O34_8 Si1_8 O12_8 W10_8 178.5 . . . . ?
O40_8 Si1_8 O12_8 W10_8 57.3 . . . . ?
O21_8 Si1_8 O12_8 W10_8 -63.5 . . . . ?
O34_8 Si1_8 O12_8 W6_8 -58.9 . . . . ?
O40_8 Si1_8 O12_8 W6_8 179.9 . . . . ?
O21_8 Si1_8 O12_8 W6_8 59.1 . . . . ?
O34_8 Si1_8 O12_8 W11_8 61.0 . . . . ?
O40_8 Si1_8 O12_8 W11_8 -60.2 . . . . ?
O21_8 Si1_8 O12_8 W11_8 179.0 . . . . ?
O18_8 W5_8 O13_8 W10_8 -135.8 . . . . ?
O19_8 W5_8 O13_8 W10_8 126.8 . . . . ?
O16_8 W5_8 O13_8 W10_8 -36.8 . . . . ?
O20_8 W5_8 O13_8 W10_8 44.8 . . . . ?
O21_8 W5_8 O13_8 W10_8 55.8 . . . . ?
O11_8 W10_8 O14_8 W9_8 -133.0 . . . . ?
O2_8 W10_8 O14_8 W9_8 127.9 . . . . ?
O7_8 W10_8 O14_8 W9_8 49.4 . . . . ?
O13_8 W10_8 O14_8 W9_8 -31.1 . . . . ?
O12_8 W10_8 O14_8 W9_8 55.2 . . . . ?
O15_8 W9_8 O16_8 W5_8 -145.7 . . . . ?
O17_8 W9_8 O16_8 W5_8 113.7 . . . . ?
O9_8 W9_8 O16_8 W5_8 35.7 . . . . ?
O14_8 W9_8 O16_8 W5_8 -43.2 . . . . ?
O40_8 W9_8 O16_8 W5_8 42.8 . . . . ?
O15_8 W9_8 O17_8 W8_8 171.6 . . . . ?
O16_8 W9_8 O17_8 W8_8 -88.9 . . . . ?
O9_8 W9_8 O17_8 W8_8 72.7 . . . . ?
O14_8 W9_8 O17_8 W8_8 -0.3 . . . . ?
O40_8 W9_8 O17_8 W8_8 1.8 . . . . ?
O18_8 W5_8 O19_8 W3_8 173.0 . . . . ?
O13_8 W5_8 O19_8 W3_8 -85.3 . . . . ?
O16_8 W5_8 O19_8 W3_8 -4.9 . . . . ?
O20_8 W5_8 O19_8 W3_8 70.3 . . . . ?
O21_8 W5_8 O19_8 W3_8 3.7 . . . . ?
O22_8 W4_8 O20_8 W5_8 165.4 . . . . ?
O27_8 W4_8 O20_8 W5_8 -91.1 . . . . ?
O23_8 W4_8 O20_8 W5_8 68.0 . . . . ?
O24_8 W4_8 O20_8 W5_8 -16.0 . . . . ?
O21_8 W4_8 O20_8 W5_8 -2.0 . . . . ?
O34_8 Si1_8 O21_8 W3_8 61.2 . . . . ?
O12_8 Si1_8 O21_8 W3_8 -57.5 . . . . ?
O40_8 Si1_8 O21_8 W3_8 -177.6 . . . . ?
O34_8 Si1_8 O21_8 W5_8 -179.1 . . . . ?
O12_8 Si1_8 O21_8 W5_8 62.2 . . . . ?
O40_8 Si1_8 O21_8 W5_8 -57.9 . . . . ?
O34_8 Si1_8 O21_8 W4_8 -60.9 . . . . ?
O12_8 Si1_8 O21_8 W4_8 -179.6 . . . . ?
O40_8 Si1_8 O21_8 W4_8 60.2 . . . . ?
O28_8 W2_8 O24_8 W4_8 -131.9 . . . . ?
O32_8 W2_8 O24_8 W4_8 -32.4 . . . . ?
O33_8 W2_8 O24_8 W4_8 51.4 . . . . ?
O29_8 W2_8 O24_8 W4_8 126.3 . . . . ?
O34_8 W2_8 O24_8 W4_8 53.9 . . . . ?
O31_8 W8_8 O27_8 W4_8 133.3 . . . . ?
O17_8 W8_8 O27_8 W4_8 -122.9 . . . . ?
O30_8 W8_8 O27_8 W4_8 -42.0 . . . . ?
O32_8 W8_8 O27_8 W4_8 33.7 . . . . ?
O40_8 W8_8 O27_8 W4_8 -54.4 . . . . ?
O22_8 W4_8 O27_8 W8_8 -133.3 . . . . ?
O20_8 W4_8 O27_8 W8_8 122.2 . . . . ?
O23_8 W4_8 O27_8 W8_8 47.7 . . . . ?
O24_8 W4_8 O27_8 W8_8 -33.7 . . . . ?
O21_8 W4_8 O27_8 W8_8 54.0 . . . . ?
O35_8 W1_8 O29_8 W2_8 -170.9 . . . . ?
O26_8 W1_8 O29_8 W2_8 93.7 . . . . ?
O8_8 W1_8 O29_8 W2_8 11.3 . . . . ?
O37_8 W1_8 O29_8 W2_8 -70.2 . . . . ?
O34_8 W1_8 O29_8 W2_8 0.0 . . . . ?
O28_8 W2_8 O32_8 W8_8 134.1 . . . . ?
O24_8 W2_8 O32_8 W8_8 30.9 . . . . ?
O33_8 W2_8 O32_8 W8_8 -128.6 . . . . ?
O29_8 W2_8 O32_8 W8_8 -55.5 . . . . ?
O34_8 W2_8 O32_8 W8_8 -56.9 . . . . ?
O12_8 Si1_8 O34_8 W7_8 -60.6 . . . . ?
O40_8 Si1_8 O34_8 W7_8 59.9 . . . . ?
O21_8 Si1_8 O34_8 W7_8 -179.1 . . . . ?
O12_8 Si1_8 O34_8 W2_8 177.3 . . . . ?
O40_8 Si1_8 O34_8 W2_8 -62.2 . . . . ?
O21_8 Si1_8 O34_8 W2_8 58.8 . . . . ?
O12_8 Si1_8 O34_8 W1_8 59.1 . . . . ?
O40_8 Si1_8 O34_8 W1_8 179.6 . . . . ?
O21_8 Si1_8 O34_8 W1_8 -59.4 . . . . ?
O36_8 W7_8 O37_8 W1_8 -170.4 . . . . ?
O4_8 W7_8 O37_8 W1_8 90.4 . . . . ?
O33_8 W7_8 O37_8 W1_8 -70.7 . . . . ?
O38_8 W7_8 O37_8 W1_8 15.2 . . . . ?
O34_8 W7_8 O37_8 W1_8 1.3 . . . . ?
O39_8 W12_8 O38_8 W7_8 138.0 . . . . ?
O30_8 W12_8 O38_8 W7_8 -125.2 . . . . ?
O5_8 W12_8 O38_8 W7_8 32.4 . . . . ?
O9_8 W12_8 O38_8 W7_8 -46.3 . . . . ?
O40_8 W12_8 O38_8 W7_8 -53.6 . . . . ?
O34_8 Si1_8 O40_8 W9_8 178.2 . . . . ?
O12_8 Si1_8 O40_8 W9_8 -61.4 . . . . ?
O21_8 Si1_8 O40_8 W9_8 58.6 . . . . ?
O34_8 Si1_8 O40_8 W12_8 -56.6 . . . . ?
O12_8 Si1_8 O40_8 W12_8 63.8 . . . . ?
O21_8 Si1_8 O40_8 W12_8 -176.2 . . . . ?
O34_8 Si1_8 O40_8 W8_8 59.0 . . . . ?
O12_8 Si1_8 O40_8 W8_8 179.4 . . . . ?
O21_8 Si1_8 O40_8 W8_8 -60.7 . . . . ?
O41_8 W24_8 O42_8 W22_8 137.3 . . . . ?
O45_8 W24_8 O42_8 W22_8 -46.9 . . . . ?
O44_8 W24_8 O42_8 W22_8 35.1 . . . . ?
O43_8 W24_8 O42_8 W22_8 -123.8 . . . . ?
O75_8 W24_8 O42_8 W22_8 -52.9 . . . . ?
O41_8 W24_8 O45_8 W18_8 170.6 . . . . ?
O42_8 W24_8 O45_8 W18_8 -5.3 . . . . ?
O44_8 W24_8 O45_8 W18_8 -86.9 . . . . ?
O43_8 W24_8 O45_8 W18_8 72.4 . . . . ?
O75_8 W24_8 O45_8 W18_8 1.1 . . . . ?
O48_8 W18_8 O45_8 W24_8 -170.2 . . . . ?
O50_8 W18_8 O45_8 W24_8 87.5 . . . . ?
O52_8 W18_8 O45_8 W24_8 6.3 . . . . ?
O47_8 W18_8 O45_8 W24_8 -71.0 . . . . ?
O75_8 W18_8 O45_8 W24_8 -1.1 . . . . ?
O79_8 W21_8 O47_8 W18_8 -171.8 . . . . ?
O64_8 W21_8 O47_8 W18_8 88.9 . . . . ?
O77_8 W21_8 O47_8 W18_8 12.1 . . . . ?
O43_8 W21_8 O47_8 W18_8 -71.2 . . . . ?
O75_8 W21_8 O47_8 W18_8 1.4 . . . . ?
O51_8 W17_8 O50_8 W18_8 -138.9 . . . . ?
O49_8 W17_8 O50_8 W18_8 121.8 . . . . ?
O53_8 W17_8 O50_8 W18_8 -39.0 . . . . ?
O55_8 W17_8 O50_8 W18_8 41.9 . . . . ?
O73_8 W17_8 O50_8 W18_8 51.0 . . . . ?
O54_8 W16_8 O52_8 W18_8 138.0 . . . . ?
O53_8 W16_8 O52_8 W18_8 39.0 . . . . ?
O57_8 W16_8 O52_8 W18_8 -39.5 . . . . ?
O56_8 W16_8 O52_8 W18_8 -120.6 . . . . ?
O74_8 W16_8 O52_8 W18_8 -51.5 . . . . ?
O54_8 W16_8 O53_8 W17_8 -142.2 . . . . ?
O52_8 W16_8 O53_8 W17_8 -39.7 . . . . ?
O57_8 W16_8 O53_8 W17_8 116.7 . . . . ?
O56_8 W16_8 O53_8 W17_8 33.2 . . . . ?
O74_8 W16_8 O53_8 W17_8 47.1 . . . . ?
O72_8 W14_8 O55_8 W17_8 166.4 . . . . ?
O76_8 W14_8 O55_8 W17_8 68.7 . . . . ?
O61_8 W14_8 O55_8 W17_8 -87.4 . . . . ?
O68_8 W14_8 O55_8 W17_8 -14.6 . . . . ?
O73_8 W14_8 O55_8 W17_8 -0.7 . . . . ?
O62_8 W19_8 O56_8 W16_8 166.3 . . . . ?
O63_8 W19_8 O56_8 W16_8 -20.5 . . . . ?
O64_8 W19_8 O56_8 W16_8 -93.1 . . . . ?
O59_8 W19_8 O56_8 W16_8 66.9 . . . . ?
O74_8 W19_8 O56_8 W16_8 -5.5 . . . . ?
O54_8 W16_8 O57_8 W13_8 166.0 . . . . ?
O52_8 W16_8 O57_8 W13_8 -16.5 . . . . ?
O53_8 W16_8 O57_8 W13_8 -94.8 . . . . ?
O56_8 W16_8 O57_8 W13_8 64.0 . . . . ?
O74_8 W16_8 O57_8 W13_8 -3.7 . . . . ?
O58_8 W13_8 O57_8 W16_8 -167.5 . . . . ?
O60_8 W13_8 O57_8 W16_8 23.3 . . . . ?
O61_8 W13_8 O57_8 W16_8 90.2 . . . . ?
O59_8 W13_8 O57_8 W16_8 -70.4 . . . . ?
O74_8 W13_8 O57_8 W16_8 3.7 . . . . ?
O58_8 W13_8 O59_8 W19_8 175.3 . . . . ?
O60_8 W13_8 O59_8 W19_8 -80.8 . . . . ?
O61_8 W13_8 O59_8 W19_8 9.3 . . . . ?
O57_8 W13_8 O59_8 W19_8 74.3 . . . . ?
O74_8 W13_8 O59_8 W19_8 4.9 . . . . ?
O58_8 W13_8 O60_8 W15_8 -143.2 . . . . ?
O61_8 W13_8 O60_8 W15_8 -41.2 . . . . ?
O57_8 W13_8 O60_8 W15_8 25.8 . . . . ?
O59_8 W13_8 O60_8 W15_8 117.2 . . . . ?
O74_8 W13_8 O60_8 W15_8 44.2 . . . . ?
O58_8 W13_8 O61_8 W14_8 131.6 . . . . ?
O60_8 W13_8 O61_8 W14_8 29.6 . . . . ?
O57_8 W13_8 O61_8 W14_8 -127.6 . . . . ?
O59_8 W13_8 O61_8 W14_8 -62.6 . . . . ?
O74_8 W13_8 O61_8 W14_8 -58.4 . . . . ?
O78_8 W20_8 O63_8 W19_8 -135.9 . . . . ?
O77_8 W20_8 O63_8 W19_8 -33.1 . . . . ?
O66_8 W20_8 O63_8 W19_8 129.4 . . . . ?
O70_8 W20_8 O63_8 W19_8 43.8 . . . . ?
O80_8 W20_8 O63_8 W19_8 54.1 . . . . ?
O62_8 W19_8 O63_8 W20_8 132.5 . . . . ?
O56_8 W19_8 O63_8 W20_8 -40.5 . . . . ?
O64_8 W19_8 O63_8 W20_8 32.5 . . . . ?
O59_8 W19_8 O63_8 W20_8 -126.4 . . . . ?
O74_8 W19_8 O63_8 W20_8 -54.6 . . . . ?
O79_8 W21_8 O64_8 W19_8 137.5 . . . . ?
O77_8 W21_8 O64_8 W19_8 37.5 . . . . ?
O47_8 W21_8 O64_8 W19_8 -120.8 . . . . ?
O43_8 W21_8 O64_8 W19_8 -42.4 . . . . ?
O75_8 W21_8 O64_8 W19_8 -50.6 . . . . ?
O65_8 W15_8 O68_8 W14_8 -138.6 . . . . ?
O60_8 W15_8 O68_8 W14_8 -36.9 . . . . ?
O67_8 W15_8 O68_8 W14_8 122.8 . . . . ?
O66_8 W15_8 O68_8 W14_8 31.6 . . . . ?
O80_8 W15_8 O68_8 W14_8 50.3 . . . . ?
O69_8 W22_8 O70_8 W20_8 167.3 . . . . ?
O71_8 W22_8 O70_8 W20_8 -16.1 . . . . ?
O42_8 W22_8 O70_8 W20_8 -89.9 . . . . ?
O67_8 W22_8 O70_8 W20_8 69.0 . . . . ?
O80_8 W22_8 O70_8 W20_8 -3.8 . . . . ?
O69_8 W22_8 O71_8 W23_8 131.6 . . . . ?
O70_8 W22_8 O71_8 W23_8 -45.0 . . . . ?
O42_8 W22_8 O71_8 W23_8 29.3 . . . . ?
O67_8 W22_8 O71_8 W23_8 -130.0 . . . . ?
O80_8 W22_8 O71_8 W23_8 -56.9 . . . . ?
O46_8 W23_8 O71_8 W22_8 -131.0 . . . . ?
O44_8 W23_8 O71_8 W22_8 -30.8 . . . . ?
O76_8 W23_8 O71_8 W22_8 127.6 . . . . ?
O49_8 W23_8 O71_8 W22_8 46.2 . . . . ?
O73_8 W23_8 O71_8 W22_8 56.9 . . . . ?
O80_8 Si2_8 O73_8 W23_8 57.6 . . . . ?
O75_8 Si2_8 O73_8 W23_8 -62.1 . . . . ?
O74_8 Si2_8 O73_8 W23_8 178.8 . . . . ?
O80_8 Si2_8 O73_8 W17_8 -177.8 . . . . ?
O75_8 Si2_8 O73_8 W17_8 62.5 . . . . ?
O74_8 Si2_8 O73_8 W17_8 -56.6 . . . . ?
O80_8 Si2_8 O73_8 W14_8 -62.2 . . . . ?
O75_8 Si2_8 O73_8 W14_8 178.1 . . . . ?
O74_8 Si2_8 O73_8 W14_8 59.0 . . . . ?
O80_8 Si2_8 O74_8 W16_8 179.0 . . . . ?
O75_8 Si2_8 O74_8 W16_8 -61.1 . . . . ?
O73_8 Si2_8 O74_8 W16_8 57.8 . . . . ?
O80_8 Si2_8 O74_8 W19_8 -59.8 . . . . ?
O75_8 Si2_8 O74_8 W19_8 60.0 . . . . ?
O73_8 Si2_8 O74_8 W19_8 178.9 . . . . ?
O80_8 Si2_8 O74_8 W13_8 60.2 . . . . ?
O75_8 Si2_8 O74_8 W13_8 -180.0 . . . . ?
O73_8 Si2_8 O74_8 W13_8 -61.1 . . . . ?
O80_8 Si2_8 O75_8 W21_8 58.9 . . . . ?
O73_8 Si2_8 O75_8 W21_8 178.5 . . . . ?
O74_8 Si2_8 O75_8 W21_8 -60.8 . . . . ?
O80_8 Si2_8 O75_8 W18_8 -178.6 . . . . ?
O73_8 Si2_8 O75_8 W18_8 -59.1 . . . . ?
O74_8 Si2_8 O75_8 W18_8 61.7 . . . . ?
O80_8 Si2_8 O75_8 W24_8 -60.2 . . . . ?
O73_8 Si2_8 O75_8 W24_8 59.4 . . . . ?
O74_8 Si2_8 O75_8 W24_8 -179.8 . . . . ?
O72_8 W14_8 O76_8 W23_8 -171.0 . . . . ?
O55_8 W14_8 O76_8 W23_8 -71.8 . . . . ?
O61_8 W14_8 O76_8 W23_8 6.9 . . . . ?
O68_8 W14_8 O76_8 W23_8 86.4 . . . . ?
O73_8 W14_8 O76_8 W23_8 0.1 . . . . ?
O79_8 W21_8 O77_8 W20_8 -138.5 . . . . ?
O64_8 W21_8 O77_8 W20_8 -39.9 . . . . ?
O47_8 W21_8 O77_8 W20_8 37.6 . . . . ?
O43_8 W21_8 O77_8 W20_8 120.1 . . . . ?
O75_8 W21_8 O77_8 W20_8 47.7 . . . . ?
O78_8 W20_8 O77_8 W21_8 143.7 . . . . ?
O63_8 W20_8 O77_8 W21_8 38.6 . . . . ?
O66_8 W20_8 O77_8 W21_8 -28.7 . . . . ?
O70_8 W20_8 O77_8 W21_8 -119.4 . . . . ?
O80_8 W20_8 O77_8 W21_8 -47.7 . . . . ?
O75_8 Si2_8 O80_8 W20_8 -59.8 . . . . ?
O73_8 Si2_8 O80_8 W20_8 -178.6 . . . . ?
O74_8 Si2_8 O80_8 W20_8 59.2 . . . . ?
O75_8 Si2_8 O80_8 W22_8 60.5 . . . . ?
O73_8 Si2_8 O80_8 W22_8 -58.3 . . . . ?
O74_8 Si2_8 O80_8 W22_8 179.6 . . . . ?
O75_8 Si2_8 O80_8 W15_8 -179.0 . . . . ?
O73_8 Si2_8 O80_8 W15_8 62.2 . . . . ?
O74_8 Si2_8 O80_8 W15_8 -59.9 . . . . ?
O105_8 W33_8 O83_8 W34_8 -167.2 . . . . ?
O106_8 W33_8 O83_8 W34_8 89.7 . . . . ?
O104_8 W33_8 O83_8 W34_8 -69.8 . . . . ?
O107_8 W33_8 O83_8 W34_8 2.8 . . . . ?
O118_8 W33_8 O83_8 W34_8 0.4 . . . . ?
O81_8 W34_8 O84_8 W32_8 -137.0 . . . . ?
O85_8 W34_8 O84_8 W32_8 -36.8 . . . . ?
O82_8 W34_8 O84_8 W32_8 43.9 . . . . ?
O83_8 W34_8 O84_8 W32_8 121.4 . . . . ?
O118_8 W34_8 O84_8 W32_8 51.8 . . . . ?
O81_8 W34_8 O85_8 W35_8 141.2 . . . . ?
O84_8 W34_8 O85_8 W35_8 39.2 . . . . ?
O82_8 W34_8 O85_8 W35_8 -119.3 . . . . ?
O83_8 W34_8 O85_8 W35_8 -39.7 . . . . ?
O118_8 W34_8 O85_8 W35_8 -48.5 . . . . ?
O89_8 W32_8 O87_8 W35_8 -137.8 . . . . ?
O92_8 W32_8 O87_8 W35_8 47.3 . . . . ?
O91_8 W32_8 O87_8 W35_8 124.1 . . . . ?
O84_8 W32_8 O87_8 W35_8 -37.3 . . . . ?
O119_8 W32_8 O87_8 W35_8 51.2 . . . . ?
O97_8 W36_8 O90_8 W35_8 169.6 . . . . ?
O96_8 W36_8 O90_8 W35_8 -87.6 . . . . ?
O115_8 W36_8 O90_8 W35_8 -10.8 . . . . ?
O98_8 W36_8 O90_8 W35_8 71.5 . . . . ?
O120_8 W36_8 O90_8 W35_8 -0.6 . . . . ?
O89_8 W32_8 O91_8 W30_8 167.5 . . . . ?
O87_8 W32_8 O91_8 W30_8 -88.5 . . . . ?
O92_8 W32_8 O91_8 W30_8 69.6 . . . . ?
O84_8 W32_8 O91_8 W30_8 -8.4 . . . . ?
O119_8 W32_8 O91_8 W30_8 0.4 . . . . ?
O89_8 W32_8 O92_8 W31_8 -172.0 . . . . ?
O87_8 W32_8 O92_8 W31_8 2.9 . . . . ?
O91_8 W32_8 O92_8 W31_8 -74.5 . . . . ?
O84_8 W32_8 O92_8 W31_8 87.0 . . . . ?
O119_8 W32_8 O92_8 W31_8 -1.2 . . . . ?
O108_8 W31_8 O94_8 W30_8 -168.9 . . . . ?
O112_8 W31_8 O94_8 W30_8 89.2 . . . . ?
O92_8 W31_8 O94_8 W30_8 -67.8 . . . . ?
O106_8 W31_8 O94_8 W30_8 11.4 . . . . ?
O119_8 W31_8 O94_8 W30_8 1.8 . . . . ?
O93_8 W30_8 O95_8 W28_8 -132.3 . . . . ?
O94_8 W30_8 O95_8 W28_8 130.7 . . . . ?
O96_8 W30_8 O95_8 W28_8 -26.4 . . . . ?
O91_8 W30_8 O95_8 W28_8 56.6 . . . . ?
O119_8 W30_8 O95_8 W28_8 60.8 . . . . ?
O97_8 W36_8 O96_8 W30_8 -133.8 . . . . ?
O90_8 W36_8 O96_8 W30_8 130.9 . . . . ?
O115_8 W36_8 O96_8 W30_8 -27.1 . . . . ?
O98_8 W36_8 O96_8 W30_8 60.3 . . . . ?
O120_8 W36_8 O96_8 W30_8 58.4 . . . . ?
O100_8 W25_8 O99_8 W27_8 -141.3 . . . . ?
O101_8 W25_8 O99_8 W27_8 -39.2 . . . . ?
O88_8 W25_8 O99_8 W27_8 40.7 . . . . ?
O98_8 W25_8 O99_8 W27_8 120.0 . . . . ?
O120_8 W25_8 O99_8 W27_8 48.8 . . . . ?
O100_8 W25_8 O101_8 W26_8 142.3 . . . . ?
O99_8 W25_8 O101_8 W26_8 42.3 . . . . ?
O88_8 W25_8 O101_8 W26_8 -118.2 . . . . ?
O98_8 W25_8 O101_8 W26_8 -37.4 . . . . ?
O120_8 W25_8 O101_8 W26_8 -46.0 . . . . ?
O117_8 W27_8 O102_8 W26_8 -127.8 . . . . ?
O114_8 W27_8 O102_8 W26_8 60.8 . . . . ?
O110_8 W27_8 O102_8 W26_8 131.9 . . . . ?
O99_8 W27_8 O102_8 W26_8 -25.9 . . . . ?
O116_8 W27_8 O102_8 W26_8 63.3 . . . . ?
O105_8 W33_8 O104_8 W26_8 166.1 . . . . ?
O106_8 W33_8 O104_8 W26_8 -12.7 . . . . ?
O83_8 W33_8 O104_8 W26_8 68.1 . . . . ?
O107_8 W33_8 O104_8 W26_8 -88.4 . . . . ?
O118_8 W33_8 O104_8 W26_8 -1.8 . . . . ?
O105_8 W33_8 O106_8 W31_8 140.1 . . . . ?
O83_8 W33_8 O106_8 W31_8 -121.6 . . . . ?
O104_8 W33_8 O106_8 W31_8 -41.1 . . . . ?
O107_8 W33_8 O106_8 W31_8 33.9 . . . . ?
O118_8 W33_8 O106_8 W31_8 -51.3 . . . . ?
O109_8 W29_8 O107_8 W33_8 126.7 . . . . ?
O110_8 W29_8 O107_8 W33_8 -132.7 . . . . ?
O112_8 W29_8 O107_8 W33_8 25.3 . . . . ?
O111_8 W29_8 O107_8 W33_8 -62.6 . . . . ?
O116_8 W29_8 O107_8 W33_8 -61.9 . . . . ?
O109_8 W29_8 O110_8 W27_8 -171.9 . . . . ?
O107_8 W29_8 O110_8 W27_8 88.0 . . . . ?
O112_8 W29_8 O110_8 W27_8 14.7 . . . . ?
O111_8 W29_8 O110_8 W27_8 -72.2 . . . . ?
O116_8 W29_8 O110_8 W27_8 0.9 . . . . ?
O108_8 W31_8 O112_8 W29_8 137.4 . . . . ?
O94_8 W31_8 O112_8 W29_8 -121.0 . . . . ?
O92_8 W31_8 O112_8 W29_8 -42.2 . . . . ?
O106_8 W31_8 O112_8 W29_8 38.7 . . . . ?
O119_8 W31_8 O112_8 W29_8 -49.1 . . . . ?
O113_8 W28_8 O115_8 W36_8 -134.9 . . . . ?
O114_8 W28_8 O115_8 W36_8 124.4 . . . . ?
O95_8 W28_8 O115_8 W36_8 -32.1 . . . . ?
O111_8 W28_8 O115_8 W36_8 46.0 . . . . ?
O116_8 W28_8 O115_8 W36_8 53.2 . . . . ?
O97_8 W36_8 O115_8 W28_8 136.1 . . . . ?
O96_8 W36_8 O115_8 W28_8 33.1 . . . . ?
O90_8 W36_8 O115_8 W28_8 -43.5 . . . . ?
O98_8 W36_8 O115_8 W28_8 -124.8 . . . . ?
O120_8 W36_8 O115_8 W28_8 -53.3 . . . . ?
O120_8 Si3_8 O116_8 W29_8 -179.2 . . . . ?
O119_8 Si3_8 O116_8 W29_8 59.6 . . . . ?
O118_8 Si3_8 O116_8 W29_8 -57.3 . . . . ?
O120_8 Si3_8 O116_8 W28_8 57.9 . . . . ?
O119_8 Si3_8 O116_8 W28_8 -63.3 . . . . ?
O118_8 Si3_8 O116_8 W28_8 179.8 . . . . ?
O120_8 Si3_8 O116_8 W27_8 -60.4 . . . . ?
O119_8 Si3_8 O116_8 W27_8 178.4 . . . . ?
O118_8 Si3_8 O116_8 W27_8 61.6 . . . . ?
O120_8 Si3_8 O118_8 W34_8 -58.9 . . . . ?
O119_8 Si3_8 O118_8 W34_8 63.1 . . . . ?
O116_8 Si3_8 O118_8 W34_8 180.0 . . . . ?
O120_8 Si3_8 O118_8 W33_8 178.7 . . . . ?
O119_8 Si3_8 O118_8 W33_8 -59.3 . . . . ?
O116_8 Si3_8 O118_8 W33_8 57.5 . . . . ?
O120_8 Si3_8 O118_8 W26_8 60.5 . . . . ?
O119_8 Si3_8 O118_8 W26_8 -177.4 . . . . ?
O116_8 Si3_8 O118_8 W26_8 -60.6 . . . . ?
O120_8 Si3_8 O119_8 W31_8 -178.5 . . . . ?
O118_8 Si3_8 O119_8 W31_8 60.2 . . . . ?
O116_8 Si3_8 O119_8 W31_8 -59.0 . . . . ?
O120_8 Si3_8 O119_8 W32_8 58.8 . . . . ?
O118_8 Si3_8 O119_8 W32_8 -62.4 . . . . ?
O116_8 Si3_8 O119_8 W32_8 178.4 . . . . ?
O120_8 Si3_8 O119_8 W30_8 -57.1 . . . . ?
O118_8 Si3_8 O119_8 W30_8 -178.3 . . . . ?
O116_8 Si3_8 O119_8 W30_8 62.5 . . . . ?
O119_8 Si3_8 O120_8 W36_8 58.9 . . . . ?
O118_8 Si3_8 O120_8 W36_8 178.3 . . . . ?
O116_8 Si3_8 O120_8 W36_8 -59.5 . . . . ?
O119_8 Si3_8 O120_8 W25_8 -179.0 . . . . ?
O118_8 Si3_8 O120_8 W25_8 -59.6 . . . . ?
O116_8 Si3_8 O120_8 W25_8 62.6 . . . . ?
O119_8 Si3_8 O120_8 W35_8 -61.0 . . . . ?
O118_8 Si3_8 O120_8 W35_8 58.4 . . . . ?
O116_8 Si3_8 O120_8 W35_8 -179.4 . . . . ?

_refine_diff_density_max         6.718
_refine_diff_density_min         -1.417
_refine_diff_density_rms         0.266


# start Validation Reply Form
_vrf_THETM01_p21n-a_sq_s         
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: The crystals of this giant supramolecular assembly is very poorly 
diffracting possibly due to a large amount of amorphous solvents and 
highly-disordered counterions existing in the unit cell, which occupy as
 much as 47% of the unit cell based on PLATON calculation.

;
_vrf_PLAT094_p21n-a_sq_s         
;
PROBLEM: Ratio of Maximum / Minimum Residual Density .... 4.74 Report
RESPONSE:This alert might be associated with some disordered framework,
or amorphous solvents and highly-disordered counteranions.
;
# end Validation Reply Form
