#------------------------------------------------------------------------------
#$Date: 2024-09-24 11:55:37 +0300 (Tue, 24 Sep 2024) $
#$Revision: 294865 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/60/7716033.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7716033
loop_
_publ_author_name
'An, Seonghyeon'
'Han, Jihun'
'Kim, Dongwon'
'Lee, Haeri'
'Jung, Ok-Sang'
_publ_section_title
;
 Coordinating nature of M₆L₁₂ double-stranded
 macrocycles: co-ligand competition of perchlorate, water, and
 acetonitrile depending on metal(II) ions.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9692
_journal_page_last               9699
_journal_paper_doi               10.1039/d4dt00902a
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety
'C254 H332 Cl4 Co6 N31 O17 Si12, 8(Cl O4), 3(C7 H8)'
_chemical_formula_sum            'C273 H358 Cl12 Co6 N30 O50 Si12'
_chemical_formula_weight         5975.93
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2024-04-26 deposited with the CCDC.	2024-05-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.31(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   26.225(5)
_cell_length_b                   30.532(6)
_cell_length_c                   43.614(9)
_cell_measurement_reflns_used    547726
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      33.749
_cell_measurement_theta_min      0.458
_cell_volume                     34555(12)
_computing_cell_refinement       'Bruker APEX4 software'
_computing_data_collection       'Bruker APEX4 software'
_computing_data_reduction        'Bruker APEX4 software'
_computing_molecular_graphics    ORTEP
_computing_publication_material  CIFTAB
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2013)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Photon II detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.800
_diffrn_reflns_av_R_equivalents  0.0465
_diffrn_reflns_av_unetI/netI     0.0550
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       52
_diffrn_reflns_limit_l_min       -52
_diffrn_reflns_number            236697
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        28.685
_diffrn_reflns_theta_max         29.000
_diffrn_reflns_theta_min         1.742
_diffrn_source                   'Ius Microfocus'
_exptl_absorpt_coefficient_mu    0.658
_exptl_absorpt_correction_T_max  0.987
_exptl_absorpt_correction_T_min  0.789
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.149
_exptl_crystal_description       block
_exptl_crystal_F_000             12560
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.830
_refine_diff_density_min         -0.619
_refine_diff_density_rms         0.087
_refine_ls_abs_structure_details
; 
 Flack x determined using 28385 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   0.5220(17)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     6394
_refine_ls_number_reflns         126449
_refine_ls_number_restraints     12431
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.1167
_refine_ls_R_factor_gt           0.0913
_refine_ls_shift/su_max          0.045
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2628
_refine_ls_wR_factor_ref         0.2955
_reflns_Friedel_coverage         0.958
_reflns_Friedel_fraction_full    0.981
_reflns_Friedel_fraction_max     0.980
_reflns_number_gt                78968
_reflns_number_total             126449
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt00902a2.cif
_cod_data_source_block           CoClO42_mDCPPS
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7716032--7716036.cif.

2024-09-24
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C546 H716 Cl24 Co12 N60 O100 Si24'
_cod_original_formula_weight         11951.87
_cod_original_formula_moiety
'C254 H332 Cl4 Co6 N31 O17 Si12, C250 H327 Cl4 Co6 N29 O19 Si12, 16(Cl O4), 6(C7 H8)'
_cod_original_formula_units_Z            2
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7716033
_shelx_shelxl_version_number     2019/3
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.853
_shelx_estimated_absorpt_t_max   0.880
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Co1A Co 0.56033(6) 0.45074(5) 0.63876(3) 0.0982(3) Uani 1 1 d . U . . .
Cl1A Cl 0.67466(13) 0.4437(2) 0.50520(7) 0.1512(13) Uani 1 1 d D U . . .
Cl1B Cl 0.18006(11) 0.51073(11) 0.01002(6) 0.1073(7) Uani 1 1 d . U . . .
Si2A Si 0.55958(15) 0.31526(11) 0.54139(8) 0.1124(8) Uani 1 1 d . U . . .
Si2C Si 1.01757(12) 0.34286(10) 0.38545(7) 0.0996(7) Uani 1 1 d . U . . .
O9A O 1.0569(3) 0.4711(3) 0.62945(18) 0.1207(18) Uani 1 1 d . U . . .
C11 C 0.3430(7) 0.4654(6) -0.2235(3) 0.148(3) Uani 1 1 d . U . . .
O10A O 0.9877(4) 0.4677(4) 0.5901(2) 0.152(3) Uani 1 1 d . U . . .
Si2E Si 0.98073(15) 0.36616(12) 0.71285(10) 0.1225(9) Uani 1 1 d . U . . .
O11A O 1.0276(4) 0.5359(4) 0.6040(2) 0.136(2) Uani 1 1 d . U . . .
Si1F Si 0.67018(12) 0.60594(10) 0.69845(7) 0.0980(6) Uani 1 1 d . U . . .
O12A O 1.0691(3) 0.4808(3) 0.57912(19) 0.123(2) Uani 1 1 d . U . . .
Si2F Si 0.71436(14) 0.34440(10) 0.71833(9) 0.1135(8) Uani 1 1 d . U . . .
Co5B Co 0.64859(5) 0.48321(5) 0.14985(3) 0.0945(3) Uani 1 1 d . U . . .
Cl5 Cl 0.87026(17) 0.4484(2) 0.13175(14) 0.1765(17) Uani 1 1 d . U . . .
Co2A Co 0.58019(5) 0.44014(5) 0.44134(3) 0.0991(4) Uani 1 1 d . U . . .
Co3B Co 0.36291(5) 0.48594(5) -0.15140(3) 0.0924(3) Uani 1 1 d . U . . .
Cl3A Cl 1.03541(12) 0.48785(13) 0.60015(7) 0.1257(9) Uani 1 1 d . U . . .
Cl3B Cl 0.55060(12) 0.48125(17) 0.08787(7) 0.1362(10) Uani 1 1 d . U . . .
O3 O 0.4747(6) 0.5445(6) 0.7736(3) 0.193(4) Uani 1 1 d . U . . .
O3A O 0.6882(5) 0.3954(4) 0.5002(3) 0.189(3) Uani 1 1 d D U . . .
Co3A Co 0.86870(5) 0.47973(4) 0.34746(3) 0.0890(3) Uani 1 1 d . U . . .
Co2B Co 0.08558(5) 0.53613(5) -0.04988(3) 0.0908(3) Uani 1 1 d . U . . .
Cl2 Cl 0.44711(19) 0.67188(13) 0.37180(11) 0.1495(12) Uani 1 1 d . U . . .
Cl2A Cl 0.92312(10) 0.47100(9) 0.42604(5) 0.0993(6) Uani 1 1 d . U . . .
Cl2B Cl 0.41951(11) 0.49306(11) -0.07415(6) 0.1087(7) Uani 1 1 d . U . . .
Co4A Co 1.14792(5) 0.46875(5) 0.46414(3) 0.0988(3) Uani 1 1 d . U . . .
Co1B Co 0.07881(5) 0.52616(4) 0.14940(3) 0.0906(3) Uani 1 1 d . U . . .
Cl1 Cl 0.5129(2) 0.53080(19) 0.76009(10) 0.1630(15) Uani 1 1 d . U . . .
Co6A Co 0.84171(6) 0.49606(5) 0.75493(3) 0.0985(3) Uani 1 1 d . U . . .
Co6B Co 0.36513(5) 0.47046(5) 0.25129(3) 0.0950(3) Uani 1 1 d . U . . .
Cl6 Cl 1.21697(18) 0.52813(15) 0.34650(9) 0.1457(12) Uani 1 1 d . U . . .
C7 C 0.3860(7) 0.4304(6) 0.3205(3) 0.153(3) Uani 1 1 d D U . . .
Co4B Co 0.65475(5) 0.48558(5) -0.04461(3) 0.0961(3) Uani 1 1 d . U . . .
Cl4 Cl 0.8331(2) 0.91985(19) 0.21508(13) 0.193(2) Uani 1 1 d . U . . .
Cl4A Cl 0.79249(12) 0.48131(10) 0.67592(6) 0.1072(6) Uani 1 1 d . U . . .
Cl4B Cl 0.30685(10) 0.48877(9) 0.17495(6) 0.1012(6) Uani 1 1 d . U . . .
O4 O 0.4875(7) 0.4887(7) 0.7498(4) 0.203(4) Uani 1 1 d . U . . .
O14A O 0.7423(4) 0.4721(3) 0.6824(2) 0.125(2) Uani 1 1 d . U . . .
O15A O 0.7932(5) 0.5271(4) 0.6640(3) 0.150(3) Uani 1 1 d . U . . .
O16A O 0.8092(4) 0.4508(4) 0.6555(2) 0.154(3) Uani 1 1 d . U . . .
Cl20 Cl 0.04112(13) 0.42678(14) 0.26961(8) 0.1281(9) Uani 1 1 d . U . . .
Si1A Si 0.54975(16) 0.57198(12) 0.53426(9) 0.1184(8) Uani 1 1 d . U . . .
Si1B Si 0.73043(11) 0.57511(10) 0.41794(7) 0.0972(6) Uani 1 1 d . U . . .
Si2B Si 0.74780(12) 0.34001(11) 0.39873(8) 0.1037(7) Uani 1 1 d . U . . .
Si1C Si 1.02231(12) 0.61010(10) 0.40068(8) 0.1020(7) Uani 1 1 d . U . . .
Si1D Si 1.1627(2) 0.60271(15) 0.56421(11) 0.1447(12) Uani 1 1 d . U . . .
Si2D Si 1.13054(14) 0.34288(11) 0.56401(8) 0.1097(8) Uani 1 1 d . U . . .
Si1E Si 0.96940(13) 0.60055(10) 0.68336(8) 0.1082(7) Uani 1 1 d . U . . .
Si2L Si 0.18503(11) 0.36521(9) 0.19865(7) 0.0953(6) Uani 1 1 d . U . . .
O2 O 0.5580(6) 0.5181(5) 0.7782(3) 0.174(3) Uani 1 1 d . U . . .
Si1L Si 0.23277(13) 0.62628(10) 0.23429(7) 0.1035(7) Uani 1 1 d . U . . .
O1 O 0.5231(5) 0.5504(5) 0.7323(3) 0.175(4) Uani 1 1 d . U . . .
Si1G Si 0.11027(11) 0.66022(10) 0.05668(7) 0.0967(6) Uani 1 1 d . U . . .
Si2G Si 0.03159(15) 0.40815(11) 0.04223(7) 0.1100(8) Uani 1 1 d . U . . .
O16B O 0.3061(4) 0.4467(3) 0.1610(2) 0.134(2) Uani 1 1 d . U . . .
Si2H Si 0.22549(14) 0.39521(11) -0.07830(8) 0.1090(8) Uani 1 1 d . U . . .
Si1H Si 0.25073(12) 0.62908(10) -0.09970(8) 0.1009(7) Uani 1 1 d . U . . .
Si2I Si 0.51603(12) 0.35075(10) -0.10358(7) 0.1017(7) Uani 1 1 d . U . . .
Si1I Si 0.52321(13) 0.61643(11) -0.11980(8) 0.1084(8) Uani 1 1 d . U . . .
Si2K Si 0.48064(12) 0.36475(10) 0.17362(7) 0.1018(7) Uani 1 1 d . U . . .
Si1K Si 0.49829(12) 0.59693(10) 0.19776(8) 0.1055(7) Uani 1 1 d . U . . .
Si2J Si 0.67300(15) 0.35202(11) 0.05371(8) 0.1132(8) Uani 1 1 d . U . . .
Si1J Si 0.65804(16) 0.61751(11) 0.05384(8) 0.1167(8) Uani 1 1 d . U . . .
O1A O 0.6492(3) 0.4466(4) 0.47574(18) 0.140(2) Uani 1 1 d . U . . .
O1B O 0.1602(3) 0.5326(3) -0.01880(15) 0.1029(15) Uani 1 1 d . U . . .
O2A O 0.7211(4) 0.4491(6) 0.5152(2) 0.183(3) Uani 1 1 d . U . . .
O2B O 0.1803(4) 0.4645(3) 0.00393(19) 0.128(2) Uani 1 1 d . U . . .
O3B O 0.2294(3) 0.5230(4) 0.0200(2) 0.136(2) Uani 1 1 d . U . . .
O4A O 0.6409(4) 0.4435(4) 0.52779(19) 0.142(3) Uani 1 1 d . U . . .
O4B O 0.1468(3) 0.5200(3) 0.03249(15) 0.1064(18) Uani 1 1 d . U . . .
O5A O 0.8865(3) 0.4676(3) 0.39810(15) 0.1043(15) Uani 1 1 d . U . . .
O5B O 0.3819(3) 0.5003(3) -0.10121(15) 0.1083(16) Uani 1 1 d . U . . .
O6A O 0.9735(3) 0.4699(3) 0.41900(18) 0.117(2) Uani 1 1 d . U . . .
O6B O 0.4701(3) 0.4956(3) -0.0811(2) 0.125(2) Uani 1 1 d . U . . .
O7A O 0.9139(4) 0.4390(4) 0.4475(2) 0.141(3) Uani 1 1 d . U . . .
O7B O 0.4126(4) 0.4496(4) -0.0637(2) 0.137(2) Uani 1 1 d . U . . .
O8A O 0.9165(4) 0.5141(3) 0.4378(2) 0.126(2) Uani 1 1 d . U . . .
O8B O 0.4071(4) 0.5205(4) -0.0509(2) 0.151(3) Uani 1 1 d . U . . .
Cl13 Cl 0.3594(4) 0.5312(4) 0.6239(3) 0.267(3) Uani 1 1 d . U . . .
O13A O 0.8283(3) 0.4810(3) 0.70428(15) 0.1061(15) Uani 1 1 d . U . . .
O9B O 0.5764(3) 0.4891(4) 0.11827(18) 0.1248(19) Uani 1 1 d . U . . .
O10B O 0.5272(4) 0.4410(5) 0.0873(3) 0.165(2) Uani 1 1 d . U . . .
O11B O 0.5029(4) 0.4924(5) 0.0804(3) 0.164(2) Uani 1 1 d . U . . .
O12B O 0.5850(3) 0.4819(4) 0.06721(19) 0.135(2) Uani 1 1 d . U . . .
O13B O 0.3454(3) 0.4883(3) 0.20256(15) 0.1079(16) Uani 1 1 d . U . . .
O14B O 0.2575(3) 0.4982(3) 0.1826(2) 0.1149(19) Uani 1 1 d . U . . .
O15B O 0.3228(4) 0.5216(3) 0.1542(2) 0.137(3) Uani 1 1 d . U . . .
N1 N 0.4886(4) 0.4423(4) 0.6568(3) 0.119(2) Uani 1 1 d . U . . .
N2 N 0.6332(4) 0.4525(3) 0.6210(2) 0.1071(19) Uani 1 1 d . U . . .
N3 N 1.0744(4) 0.4741(3) 0.48079(19) 0.1036(18) Uani 1 1 d . U . . .
N4 N 1.2211(4) 0.4613(4) 0.4480(2) 0.115(2) Uani 1 1 d . U . . .
N4F N 0.6013(4) 0.4319(3) 0.6833(2) 0.1021(16) Uani 1 1 d . U . . .
N1A N 0.5221(4) 0.4736(3) 0.5950(2) 0.1050(16) Uani 1 1 d . U . . .
N2A N 0.5522(4) 0.5035(3) 0.4534(2) 0.1091(17) Uani 1 1 d . U . . .
N1B N 0.6223(3) 0.4740(3) 0.41068(18) 0.0925(14) Uani 1 1 d . U . . .
N4A N 0.5379(3) 0.4102(3) 0.4733(2) 0.1053(16) Uani 1 1 d . U . . .
N3B N 0.6117(3) 0.3786(3) 0.4279(2) 0.1046(16) Uani 1 1 d . U . . .
N1F N 0.7661(4) 0.5205(3) 0.75295(19) 0.1013(15) Uani 1 1 d . U . . .
N3F N 0.8177(4) 0.4312(3) 0.7642(2) 0.1095(17) Uani 1 1 d . U . . .
N4E N 0.9175(4) 0.4696(3) 0.7545(2) 0.1017(16) Uani 1 1 d . U . . .
N2E N 0.8719(3) 0.5585(3) 0.7438(2) 0.0990(15) Uani 1 1 d . U . . .
N1E N 1.0877(4) 0.5092(3) 0.6933(2) 0.1108(18) Uani 1 1 d . U . . .
N4D N 1.1683(4) 0.4433(3) 0.6289(2) 0.1097(17) Uani 1 1 d . U . . .
N3E N 1.1094(4) 0.4138(3) 0.6806(2) 0.1143(17) Uani 1 1 d . U . . .
N2D N 1.1548(4) 0.5375(3) 0.6468(2) 0.1183(18) Uani 1 1 d . U . . .
N1D N 1.1849(4) 0.4953(3) 0.5060(2) 0.1099(18) Uani 1 1 d . U . . .
N4C N 1.1142(3) 0.4452(3) 0.4195(2) 0.0993(15) Uani 1 1 d . U . . .
N1C N 0.9419(3) 0.5116(3) 0.34886(19) 0.0939(15) Uani 1 1 d . U . . .
N3C N 0.9007(3) 0.4176(3) 0.33854(19) 0.0953(15) Uani 1 1 d . U . . .
N4B N 0.7977(3) 0.4461(3) 0.35019(17) 0.0936(14) Uani 1 1 d . U . . .
N2B N 0.8319(3) 0.5395(3) 0.35847(18) 0.0934(14) Uani 1 1 d . U . . .
N4G N 0.0514(3) 0.4754(3) -0.03722(18) 0.0964(15) Uani 1 1 d . U . . .
N3H N 0.1208(3) 0.4974(3) -0.08242(18) 0.0947(15) Uani 1 1 d . U . . .
N1H N 0.1166(3) 0.5949(3) -0.0658(2) 0.0971(15) Uani 1 1 d . U . . .
N2G N 0.0558(3) 0.5724(3) -0.01310(18) 0.0903(14) Uani 1 1 d . U . . .
N37 N 0.1478(3) 0.5164(3) 0.12984(18) 0.0949(17) Uani 1 1 d . U . . .
N38 N 0.5829(3) 0.4847(3) -0.02546(18) 0.1008(18) Uani 1 1 d . U . . .
N39 N 0.0079(4) 0.5363(3) 0.1687(2) 0.109(2) Uani 1 1 d . U . . .
N1G N 0.0791(3) 0.5947(3) 0.13565(18) 0.0964(15) Uani 1 1 d . U . . .
N3G N 0.0332(3) 0.5092(3) 0.10561(19) 0.0958(15) Uani 1 1 d . U . . .
N3I N 0.4338(3) 0.4522(3) -0.15175(19) 0.0951(15) Uani 1 1 d . U . . .
N3J N 0.6946(3) 0.4585(3) -0.00217(19) 0.0976(16) Uani 1 1 d . U . . .
N3K N 0.6039(3) 0.4509(3) 0.18097(19) 0.0940(15) Uani 1 1 d . U . . .
N3L N 0.2884(3) 0.4486(3) 0.25214(17) 0.0915(14) Uani 1 1 d . U . . .
N1I N 0.3965(3) 0.5476(3) -0.1604(2) 0.1043(16) Uani 1 1 d . U . . .
N1J N 0.6673(4) 0.5516(3) -0.0271(2) 0.1043(16) Uani 1 1 d . U . . .
N1K N 0.6271(3) 0.5452(3) 0.1670(2) 0.0977(15) Uani 1 1 d . U . . .
N1L N 0.3450(3) 0.5355(3) 0.2642(2) 0.1027(16) Uani 1 1 d . U . . .
N4H N 0.3245(3) 0.4275(3) -0.13975(19) 0.0968(15) Uani 1 1 d . U . . .
N2H N 0.2930(3) 0.5227(3) -0.14908(19) 0.0936(14) Uani 1 1 d . U . . .
N4I N 0.6426(3) 0.4202(3) -0.0613(2) 0.1015(15) Uani 1 1 d . U . . .
N4J N 0.6705(4) 0.4190(3) 0.1355(2) 0.1064(17) Uani 1 1 d . U . . .
N4K N 0.3894(3) 0.4081(3) 0.2365(2) 0.1033(16) Uani 1 1 d . U . . .
N4L N 0.0781(3) 0.4577(3) 0.16129(19) 0.0949(14) Uani 1 1 d . U . . .
N2I N 0.6163(3) 0.5116(3) -0.08793(19) 0.0998(16) Uani 1 1 d . U . . .
N2J N 0.6863(3) 0.5146(3) 0.1167(2) 0.1006(16) Uani 1 1 d . U . . .
N2K N 0.4397(3) 0.4974(3) 0.24693(19) 0.0974(15) Uani 1 1 d . U . . .
N2L N 0.1186(3) 0.5410(3) 0.19478(19) 0.0952(15) Uani 1 1 d . U . . .
N2F N 0.5645(4) 0.5181(3) 0.6535(2) 0.1019(16) Uani 1 1 d . U . . .
N3D N 1.1567(3) 0.4027(3) 0.4831(2) 0.1022(16) Uani 1 1 d . U . . .
N3A N 0.5521(4) 0.3831(3) 0.6225(2) 0.1093(17) Uani 1 1 d . U . . .
N2C N 1.1400(3) 0.5344(3) 0.4463(2) 0.1023(16) Uani 1 1 d . U . . .
Co5A Co 1.13165(6) 0.47576(6) 0.66239(4) 0.1108(4) Uani 1 1 d . U . . .
Cl10 Cl 0.82878(18) 0.34512(18) -0.05527(14) 0.1671(15) Uani 1 1 d . U . . .
Cl8 Cl 0.83172(13) 0.56710(15) -0.01012(9) 0.1374(11) Uani 1 1 d . U . . .
C9 C 0.7538(6) 0.4745(6) -0.0788(3) 0.145(3) Uani 1 1 d D U . . .
O8 O 0.4414(7) 0.6274(4) 0.3708(4) 0.196(4) Uani 1 1 d . U . . .
Cl7 Cl 0.55556(19) 0.38186(14) 0.31469(10) 0.1523(13) Uani 1 1 d . U . . .
C1 C 0.4527(6) 0.4353(5) 0.6658(4) 0.136(3) Uani 1 1 d . U . . .
C2 C 0.4101(7) 0.4319(8) 0.6824(5) 0.181(5) Uani 1 1 d . U . . .
H2A H 0.384651 0.412155 0.671485 0.271 Uiso 1 1 calc R U . . .
H2B H 0.394789 0.460583 0.683913 0.271 Uiso 1 1 calc R U . . .
H2C H 0.421655 0.420593 0.702977 0.271 Uiso 1 1 calc R U . . .
C3 C 0.6707(4) 0.4524(5) 0.6099(3) 0.112(2) Uani 1 1 d . U . . .
C4 C 0.7159(5) 0.4495(6) 0.5966(3) 0.135(4) Uani 1 1 d . U . . .
H4A H 0.707740 0.439078 0.575484 0.203 Uiso 1 1 calc R U . . .
H4B H 0.739425 0.429170 0.608497 0.203 Uiso 1 1 calc R U . . .
H4C H 0.731834 0.478133 0.596711 0.203 Uiso 1 1 calc R U . . .
O5 O 0.4649(7) 0.6800(5) 0.4036(4) 0.198(4) Uani 1 1 d . U . . .
O6 O 0.3974(7) 0.6910(6) 0.3726(5) 0.220(5) Uani 1 1 d . U . . .
O7 O 0.4867(7) 0.6919(6) 0.3575(4) 0.209(4) Uani 1 1 d . U . . .
C8 C 0.4147(10) 0.4017(7) 0.3444(4) 0.199(6) Uani 1 1 d D U . . .
H8X H 0.420939 0.373545 0.335325 0.299 Uiso 1 1 calc R U . . .
H8Y H 0.394618 0.397445 0.361212 0.299 Uiso 1 1 calc R U . . .
H8Z H 0.447385 0.415234 0.352448 0.299 Uiso 1 1 calc R U . . .
Cl9 Cl 0.9795(2) 0.07902(14) 0.16771(8) 0.1482(13) Uani 1 1 d . U . . .
C10 C 0.7742(6) 0.4487(5) -0.1029(3) 0.138(4) Uani 1 1 d D U . . .
H10X H 0.746447 0.441876 -0.119406 0.206 Uiso 1 1 calc R U . . .
H10Y H 0.789127 0.421722 -0.093897 0.206 Uiso 1 1 calc R U . . .
H10Z H 0.800447 0.465531 -0.111164 0.206 Uiso 1 1 calc R U . . .
Cl11 Cl 0.68254(17) 0.41036(16) -0.16852(8) 0.1428(12) Uani 1 1 d . U . . .
Cl12 Cl 0.6871(2) 0.5438(2) 0.27501(12) 0.199(2) Uani 1 1 d . U . . .
O13 O 0.8542(6) 0.9575(5) 0.2087(3) 0.199(4) Uani 1 1 d . U . . .
O14 O 0.7920(8) 0.9478(8) 0.2395(4) 0.240(5) Uani 1 1 d . U . . .
O15 O 0.7914(6) 0.9075(5) 0.1939(3) 0.200(4) Uani 1 1 d . U . . .
O16 O 0.8505(6) 0.8959(5) 0.2407(3) 0.208(4) Uani 1 1 d . U . . .
O17 O 0.8905(7) 0.4882(8) 0.1243(5) 0.233(5) Uani 1 1 d . U . . .
O18 O 0.8413(6) 0.4601(7) 0.1543(4) 0.214(4) Uani 1 1 d . U . . .
O19 O 0.8305(6) 0.4232(7) 0.1155(5) 0.236(5) Uani 1 1 d . U . . .
O20 O 0.9116(5) 0.4200(6) 0.1417(4) 0.206(4) Uani 1 1 d . U . . .
O21 O 1.2269(6) 0.5415(5) 0.3766(3) 0.188(4) Uani 1 1 d . U . . .
O22 O 1.1698(5) 0.5275(5) 0.3303(3) 0.169(3) Uani 1 1 d . U . . .
O23 O 1.2480(4) 0.5506(4) 0.3269(2) 0.154(3) Uani 1 1 d . U . . .
O24 O 1.2315(5) 0.4829(5) 0.3498(3) 0.169(3) Uani 1 1 d . U . . .
O25 O 0.5783(6) 0.4201(4) 0.3102(3) 0.183(4) Uani 1 1 d . U . . .
O26 O 0.5146(7) 0.4011(6) 0.3350(4) 0.207(4) Uani 1 1 d . U . . .
O27 O 0.5086(7) 0.3676(5) 0.2936(3) 0.205(4) Uani 1 1 d . U . . .
O28 O 0.5723(6) 0.3626(5) 0.3419(3) 0.186(4) Uani 1 1 d . U . . .
O29 O 0.7963(6) 0.5796(6) 0.0092(3) 0.187(4) Uani 1 1 d . U . . .
O30 O 0.8073(4) 0.5509(4) -0.0350(2) 0.156(3) Uani 1 1 d D U . . .
O31 O 0.8632(5) 0.5388(5) 0.0078(3) 0.177(4) Uani 1 1 d . U . . .
O32 O 0.8650(6) 0.5973(6) -0.0207(3) 0.200(4) Uani 1 1 d . U . . .
O33 O 0.9390(7) 0.0686(6) 0.1819(3) 0.197(4) Uani 1 1 d . U . . .
O34 O 0.9695(6) 0.0962(5) 0.1392(3) 0.178(4) Uani 1 1 d . U . . .
O35 O 1.0030(7) 0.0360(5) 0.1581(4) 0.202(4) Uani 1 1 d . U . . .
O36 O 1.0067(7) 0.1000(5) 0.1916(3) 0.202(4) Uani 1 1 d . U . . .
O37 O 0.8095(6) 0.3681(6) -0.0315(4) 0.198(4) Uani 1 1 d . U . . .
O38 O 0.8119(6) 0.3633(5) -0.0870(4) 0.189(4) Uani 1 1 d . U . . .
O39 O 0.8829(5) 0.3463(6) -0.0497(4) 0.195(4) Uani 1 1 d . U . . .
O40 O 0.8124(7) 0.3001(5) -0.0583(5) 0.208(4) Uani 1 1 d . U . . .
O41 O 0.7110(5) 0.4484(6) -0.1612(3) 0.175(3) Uani 1 1 d . U . . .
O42 O 0.6730(6) 0.3948(5) -0.1404(2) 0.173(4) Uani 1 1 d . U . . .
O43 O 0.6340(4) 0.4225(5) -0.1868(3) 0.159(3) Uani 1 1 d . U . . .
O44 O 0.7145(6) 0.3840(5) -0.1845(3) 0.186(4) Uani 1 1 d . U . . .
O45 O 0.6548(7) 0.5134(6) 0.2860(4) 0.220(4) Uani 1 1 d . U . . .
O46 O 0.6735(7) 0.5639(6) 0.2493(3) 0.226(5) Uani 1 1 d . U . . .
O47 O 0.7235(7) 0.5597(6) 0.2973(4) 0.224(5) Uani 1 1 d . U . . .
O48 O 0.7112(8) 0.4970(7) 0.2626(4) 0.231(4) Uani 1 1 d . U . . .
O49 O 0.3980(10) 0.5436(9) 0.6535(6) 0.280(6) Uani 1 1 d . U . . .
O50 O 0.3113(11) 0.5394(9) 0.6326(6) 0.278(5) Uani 1 1 d . U . . .
O51 O 0.3610(9) 0.4840(9) 0.6124(6) 0.267(5) Uani 1 1 d . U . . .
O52 O 0.3578(11) 0.5609(10) 0.5973(7) 0.290(6) Uani 1 1 d . U . . .
O53 O 0.5157(3) 0.4297(3) 0.4074(2) 0.125(2) Uani 1 1 d . U . . .
N56 N 0.7249(3) 0.4856(4) -0.0634(2) 0.119(2) Uani 1 1 d D U . . .
N57 N 0.3852(4) 0.4536(4) 0.2989(2) 0.122(2) Uani 1 1 d D U . . .
N58 N 0.3420(4) 0.4742(4) -0.1998(2) 0.121(2) Uani 1 1 d . U . . .
N59 N 0.8571(5) 0.5125(4) 0.8032(2) 0.120(2) Uani 1 1 d . U . . .
N61 N 0.7178(3) 0.4848(3) 0.1821(2) 0.1069(19) Uani 1 1 d . U . . .
O70 O 0.0876(4) 0.4380(4) 0.2883(2) 0.148(3) Uani 1 1 d . U . . .
O71 O 0.0039(3) 0.4057(4) 0.2862(2) 0.132(2) Uani 1 1 d . U . . .
O72 O 0.0467(4) 0.4073(4) 0.2413(2) 0.152(3) Uani 1 1 d . U . . .
O73 O 0.0187(5) 0.4716(4) 0.2629(3) 0.159(3) Uani 1 1 d . U . . .
O81 O 0.0180(3) 0.5489(3) -0.08190(17) 0.1125(19) Uani 1 1 d . U . . .
O82 O 0.8517(3) 0.4919(3) 0.30029(16) 0.1083(18) Uani 1 1 d . U . . .
O83 O 1.1998(3) 0.4756(3) 0.6943(2) 0.125(2) Uani 1 1 d . U . . .
C95 C 1.2553(5) 0.4535(5) 0.4369(3) 0.121(3) Uani 1 1 d . U . . .
C96 C 1.3006(6) 0.4470(6) 0.4225(4) 0.142(4) Uani 1 1 d . U . . .
H96A H 1.326447 0.468461 0.430340 0.212 Uiso 1 1 calc R U . . .
H96B H 1.291878 0.450289 0.400238 0.212 Uiso 1 1 calc R U . . .
H96C H 1.314028 0.417751 0.427195 0.212 Uiso 1 1 calc R U . . .
C97 C 1.0382(5) 0.4758(5) 0.4909(3) 0.112(2) Uani 1 1 d . U . . .
C98 C 0.9890(5) 0.4861(6) 0.5059(3) 0.133(4) Uani 1 1 d . U . . .
H98A H 0.979168 0.516439 0.501953 0.199 Uiso 1 1 calc R U . . .
H98B H 0.996150 0.481158 0.528066 0.199 Uiso 1 1 calc R U . . .
H98C H 0.961109 0.467125 0.496950 0.199 Uiso 1 1 calc R U . . .
C184 C 0.5463(4) 0.4850(5) -0.0139(2) 0.107(2) Uani 1 1 d . U . . .
C185 C 0.5007(5) 0.4827(7) 0.0017(3) 0.136(4) Uani 1 1 d . U . . .
H18A H 0.485318 0.511567 0.002130 0.204 Uiso 1 1 calc R U . . .
H18B H 0.510509 0.472349 0.022777 0.204 Uiso 1 1 calc R U . . .
H18C H 0.475858 0.462627 -0.009351 0.204 Uiso 1 1 calc R U . . .
C259 C 0.1832(4) 0.5108(4) 0.1176(2) 0.102(2) Uani 1 1 d . U . . .
C260 C 0.2269(4) 0.4996(5) 0.1015(3) 0.118(3) Uani 1 1 d . U . . .
H26A H 0.214585 0.494414 0.079791 0.177 Uiso 1 1 calc R U . . .
H26B H 0.243586 0.473390 0.110679 0.177 Uiso 1 1 calc R U . . .
H26C H 0.251369 0.523619 0.103533 0.177 Uiso 1 1 calc R U . . .
C261 C -0.0251(5) 0.5355(5) 0.1823(3) 0.119(3) Uani 1 1 d . U . . .
C262 C -0.0669(6) 0.5361(7) 0.1998(4) 0.155(4) Uani 1 1 d . U . . .
H26D H -0.099041 0.539434 0.185867 0.232 Uiso 1 1 calc R U . . .
H26E H -0.062673 0.560332 0.214263 0.232 Uiso 1 1 calc R U . . .
H26F H -0.067518 0.508763 0.211108 0.232 Uiso 1 1 calc R U . . .
C327 C 0.8626(6) 0.5275(5) 0.8276(3) 0.128(3) Uani 1 1 d . U . . .
C384 C 0.3603(10) 0.4808(10) -0.2536(4) 0.200(6) Uani 1 1 d . U . . .
H38A H 0.373462 0.510474 -0.251058 0.301 Uiso 1 1 calc R U . . .
H38B H 0.331323 0.480081 -0.270141 0.301 Uiso 1 1 calc R U . . .
H38C H 0.387298 0.461580 -0.258782 0.301 Uiso 1 1 calc R U . . .
C407 C 0.7532(5) 0.4861(5) 0.1958(3) 0.124(3) Uani 1 1 d . U . . .
C408 C 0.8050(7) 0.4905(8) 0.2185(5) 0.176(5) Uani 1 1 d . U . . .
H40A H 0.809573 0.520637 0.225339 0.264 Uiso 1 1 calc R U . . .
H40B H 0.833510 0.481915 0.207891 0.264 Uiso 1 1 calc R U . . .
H40C H 0.803951 0.471621 0.236269 0.264 Uiso 1 1 calc R U . . .
C430 C 0.8744(8) 0.5462(6) 0.8591(3) 0.156(5) Uani 1 1 d . U . . .
H43A H 0.850103 0.569446 0.861553 0.234 Uiso 1 1 calc R U . . .
H43B H 0.909119 0.557995 0.862010 0.234 Uiso 1 1 calc R U . . .
H43C H 0.871755 0.523486 0.874292 0.234 Uiso 1 1 calc R U . . .
C1A C 0.5419(4) 0.5040(4) 0.5794(2) 0.1001(18) Uani 1 1 d . U . . .
H1A H 0.575420 0.513068 0.587465 0.120 Uiso 1 1 calc R U . . .
C2A C 0.5202(5) 0.5240(4) 0.5532(3) 0.1072(17) Uani 1 1 d . U . . .
C3A C 0.4710(5) 0.5101(4) 0.5408(3) 0.113(2) Uani 1 1 d . U . . .
H3A H 0.453288 0.522988 0.522749 0.136 Uiso 1 1 calc R U . . .
C4A C 0.4487(5) 0.4761(4) 0.5560(3) 0.117(2) Uani 1 1 d . U . . .
H4AT H 0.415723 0.465588 0.548134 0.140 Uiso 1 1 calc R U . . .
C5A C 0.4743(5) 0.4591(4) 0.5814(3) 0.109(2) Uani 1 1 d . U . . .
H5A H 0.459141 0.435656 0.590817 0.131 Uiso 1 1 calc R U . . .
C6A C 0.5559(4) 0.5170(4) 0.4832(3) 0.1079(19) Uani 1 1 d . U . . .
H6A H 0.567564 0.496590 0.498776 0.129 Uiso 1 1 calc R U . . .
C7A C 0.5432(5) 0.5603(4) 0.4926(3) 0.1136(18) Uani 1 1 d . U . . .
C8A C 0.5236(5) 0.5873(4) 0.4671(3) 0.115(2) Uani 1 1 d . U . . .
H8W H 0.512483 0.615671 0.471408 0.138 Uiso 1 1 calc R U . . .
C9A C 0.5201(5) 0.5757(5) 0.4388(3) 0.117(2) Uani 1 1 d . U . . .
H9A H 0.507545 0.595440 0.422934 0.141 Uiso 1 1 calc R U . . .
C10A C 0.5350(4) 0.5338(4) 0.4315(3) 0.112(2) Uani 1 1 d . U . . .
H10W H 0.533172 0.526034 0.410504 0.135 Uiso 1 1 calc R U . . .
C11A C 0.6248(7) 0.5688(7) 0.5472(4) 0.164(3) Uani 1 1 d D U . . .
H11A H 0.637971 0.539215 0.543200 0.197 Uiso 1 1 calc R U . . .
C12A C 0.6518(7) 0.6040(8) 0.5301(5) 0.181(3) Uani 1 1 d D U . . .
H12A H 0.646237 0.598780 0.507705 0.217 Uiso 1 1 calc R U . . .
H12B H 0.639096 0.633262 0.534226 0.217 Uiso 1 1 calc R U . . .
C13A C 0.7065(7) 0.5995(8) 0.5428(5) 0.187(4) Uani 1 1 d D U . . .
H13A H 0.723659 0.628029 0.544592 0.224 Uiso 1 1 calc R U . . .
H13B H 0.724278 0.580262 0.529759 0.224 Uiso 1 1 calc R U . . .
C14A C 0.7049(7) 0.5795(9) 0.5740(5) 0.191(4) Uani 1 1 d D U . . .
H14A H 0.727132 0.595401 0.590292 0.229 Uiso 1 1 calc R U . . .
H14B H 0.715061 0.548591 0.574436 0.229 Uiso 1 1 calc R U . . .
C15A C 0.6482(7) 0.5849(8) 0.5771(4) 0.182(3) Uani 1 1 d D U . . .
H15A H 0.638517 0.567123 0.594063 0.218 Uiso 1 1 calc R U . . .
H15B H 0.639280 0.615593 0.580156 0.218 Uiso 1 1 calc R U . . .
C16A C 0.5144(6) 0.6232(5) 0.5408(3) 0.139(2) Uani 1 1 d D U . . .
H16A H 0.531548 0.647643 0.531346 0.167 Uiso 1 1 calc R U . . .
C17A C 0.5183(7) 0.6325(6) 0.5759(4) 0.150(3) Uani 1 1 d D U . . .
H17A H 0.512617 0.606008 0.587652 0.180 Uiso 1 1 calc R U . . .
H17B H 0.551599 0.645516 0.584331 0.180 Uiso 1 1 calc R U . . .
C18A C 0.4744(7) 0.6650(6) 0.5755(4) 0.158(3) Uani 1 1 d D U . . .
H18D H 0.463835 0.667787 0.596094 0.190 Uiso 1 1 calc R U . . .
H18' H 0.484107 0.693896 0.568507 0.190 Uiso 1 1 calc R U . . .
C19A C 0.4322(7) 0.6445(6) 0.5526(4) 0.160(3) Uani 1 1 d D U . . .
H19A H 0.407469 0.666974 0.543956 0.192 Uiso 1 1 calc R U . . .
H19Z H 0.413688 0.622298 0.562905 0.192 Uiso 1 1 calc R U . . .
C20A C 0.4578(6) 0.6238(6) 0.5271(4) 0.152(3) Uani 1 1 d D U . . .
H20A H 0.451997 0.641392 0.508139 0.182 Uiso 1 1 calc R U . . .
H20B H 0.444789 0.594085 0.522497 0.182 Uiso 1 1 calc R U . . .
C21A C 0.5583(5) 0.3733(4) 0.5939(3) 0.108(2) Uani 1 1 d . U . . .
H21A H 0.565882 0.395562 0.580412 0.129 Uiso 1 1 calc R U . . .
C22A C 0.5536(5) 0.3287(4) 0.5830(3) 0.1123(18) Uani 1 1 d . U . . .
C23A C 0.5493(6) 0.2968(4) 0.6036(3) 0.120(2) Uani 1 1 d . U . . .
H23A H 0.550670 0.267107 0.597970 0.144 Uiso 1 1 calc R U . . .
C24A C 0.5424(6) 0.3094(4) 0.6344(3) 0.121(2) Uani 1 1 d . U . . .
H24A H 0.535179 0.287702 0.648476 0.145 Uiso 1 1 calc R U . . .
C25A C 0.5462(6) 0.3526(4) 0.6439(3) 0.118(2) Uani 1 1 d . U . . .
H25A H 0.544626 0.360357 0.664601 0.141 Uiso 1 1 calc R U . . .
C26A C 0.5569(5) 0.3798(4) 0.4939(3) 0.1050(19) Uani 1 1 d . U . . .
H26G H 0.590683 0.370200 0.492753 0.126 Uiso 1 1 calc R U . . .
C27A C 0.5319(5) 0.3605(4) 0.5171(3) 0.1108(17) Uani 1 1 d . U . . .
C28A C 0.4814(5) 0.3764(4) 0.5164(3) 0.112(2) Uani 1 1 d . U . . .
H28A H 0.462522 0.367317 0.532031 0.134 Uiso 1 1 calc R U . . .
C29A C 0.4585(5) 0.4043(4) 0.4944(3) 0.114(2) Uani 1 1 d . U . . .
H29A H 0.423232 0.410948 0.493163 0.136 Uiso 1 1 calc R U . . .
C30A C 0.4882(4) 0.4230(4) 0.4736(3) 0.109(2) Uani 1 1 d . U . . .
H30A H 0.473701 0.444633 0.459703 0.130 Uiso 1 1 calc R U . . .
C31A C 0.6328(6) 0.3100(6) 0.5388(3) 0.147(2) Uani 1 1 d D U . . .
H31A H 0.647403 0.339993 0.539762 0.176 Uiso 1 1 calc R U . . .
C32A C 0.6451(7) 0.2886(7) 0.5085(4) 0.162(3) Uani 1 1 d D U . . .
H32A H 0.621422 0.264633 0.501433 0.194 Uiso 1 1 calc R U . . .
H32B H 0.646046 0.309897 0.491803 0.194 Uiso 1 1 calc R U . . .
C33A C 0.6947(7) 0.2736(8) 0.5212(4) 0.178(3) Uani 1 1 d D U . . .
H33A H 0.720310 0.291071 0.512405 0.214 Uiso 1 1 calc R U . . .
H33B H 0.698263 0.243200 0.514558 0.214 Uiso 1 1 calc R U . . .
C34A C 0.7071(7) 0.2752(8) 0.5557(4) 0.178(3) Uani 1 1 d D U . . .
H34A H 0.720504 0.246946 0.563914 0.214 Uiso 1 1 calc R U . . .
H34B H 0.732838 0.297931 0.562124 0.214 Uiso 1 1 calc R U . . .
C35A C 0.6586(7) 0.2854(7) 0.5664(4) 0.165(3) Uani 1 1 d D U . . .
H35A H 0.663580 0.303664 0.585059 0.199 Uiso 1 1 calc R U . . .
H35B H 0.639543 0.258866 0.570310 0.199 Uiso 1 1 calc R U . . .
C36A C 0.5211(7) 0.2632(5) 0.5298(3) 0.143(2) Uani 1 1 d D U . . .
H36A H 0.541868 0.238929 0.540231 0.172 Uiso 1 1 calc R U . . .
C37A C 0.4696(7) 0.2601(6) 0.5409(4) 0.156(3) Uani 1 1 d D U . . .
H37A H 0.458011 0.289219 0.546377 0.188 Uiso 1 1 calc R U . . .
H37B H 0.471812 0.241180 0.559139 0.188 Uiso 1 1 calc R U . . .
C38A C 0.4324(8) 0.2409(7) 0.5142(4) 0.173(3) Uani 1 1 d D U . . .
H38D H 0.425784 0.209851 0.517650 0.208 Uiso 1 1 calc R U . . .
H38E H 0.399674 0.256885 0.511150 0.208 Uiso 1 1 calc R U . . .
C39A C 0.4612(7) 0.2472(7) 0.4878(4) 0.171(3) Uani 1 1 d D U . . .
H39A H 0.454899 0.221610 0.474210 0.206 Uiso 1 1 calc R U . . .
H39B H 0.446732 0.272695 0.476023 0.206 Uiso 1 1 calc R U . . .
C40A C 0.5163(7) 0.2533(6) 0.4949(4) 0.160(3) Uani 1 1 d D U . . .
H40D H 0.528176 0.277933 0.483316 0.192 Uiso 1 1 calc R U . . .
H40E H 0.535278 0.226769 0.490768 0.192 Uiso 1 1 calc R U . . .
C1B C 0.6563(4) 0.5068(3) 0.4215(2) 0.0931(17) Uani 1 1 d . U . . .
H1B H 0.662664 0.511921 0.442923 0.112 Uiso 1 1 calc R U . . .
C2B C 0.6817(4) 0.5330(3) 0.4022(2) 0.0935(15) Uani 1 1 d . U . . .
C3B C 0.6671(4) 0.5272(4) 0.3701(2) 0.0989(18) Uani 1 1 d . U . . .
H3B H 0.681455 0.545161 0.356040 0.119 Uiso 1 1 calc R U . . .
C4B C 0.6325(4) 0.4957(4) 0.3594(3) 0.105(2) Uani 1 1 d . U . . .
H4BA H 0.623741 0.491292 0.337911 0.126 Uiso 1 1 calc R U . . .
C5B C 0.6107(4) 0.4710(4) 0.3793(2) 0.0984(18) Uani 1 1 d . U . . .
H5B H 0.585860 0.450260 0.371055 0.118 Uiso 1 1 calc R U . . .
C6B C 0.8006(4) 0.5412(3) 0.3797(2) 0.0926(17) Uani 1 1 d . U . . .
H6B H 0.794099 0.514805 0.389502 0.111 Uiso 1 1 calc R U . . .
C7B C 0.7771(4) 0.5777(3) 0.3885(2) 0.0958(16) Uani 1 1 d . U . . .
C8B C 0.7865(4) 0.6182(4) 0.3729(3) 0.1009(18) Uani 1 1 d . U . . .
H8V H 0.770850 0.644586 0.377632 0.121 Uiso 1 1 calc R U . . .
C9B C 0.8188(4) 0.6168(4) 0.3511(3) 0.1033(19) Uani 1 1 d . U . . .
H9B H 0.826069 0.642559 0.340801 0.124 Uiso 1 1 calc R U . . .
C10B C 0.8409(4) 0.5781(4) 0.3441(2) 0.0997(18) Uani 1 1 d . U . . .
H10V H 0.863032 0.577997 0.328993 0.120 Uiso 1 1 calc R U . . .
C11B C 0.7623(4) 0.5567(4) 0.4573(3) 0.1075(17) Uani 1 1 d . U . . .
H11B H 0.734946 0.555727 0.470774 0.129 Uiso 1 1 calc R U . . .
C12B C 0.7889(5) 0.5157(4) 0.4612(3) 0.116(2) Uani 1 1 d . U . . .
H12C H 0.809558 0.511101 0.444488 0.139 Uiso 1 1 calc R U . . .
H12D H 0.764304 0.491481 0.461022 0.139 Uiso 1 1 calc R U . . .
C13B C 0.8226(6) 0.5180(5) 0.4917(3) 0.126(2) Uani 1 1 d . U . . .
H13C H 0.803166 0.509565 0.508289 0.151 Uiso 1 1 calc R U . . .
H13D H 0.851712 0.497748 0.491895 0.151 Uiso 1 1 calc R U . . .
C14B C 0.8418(6) 0.5633(5) 0.4965(3) 0.130(3) Uani 1 1 d . U . . .
H14C H 0.877419 0.565667 0.492405 0.156 Uiso 1 1 calc R U . . .
H14D H 0.840198 0.572860 0.517831 0.156 Uiso 1 1 calc R U . . .
C15B C 0.8035(5) 0.5919(5) 0.4721(3) 0.121(2) Uani 1 1 d . U . . .
H15C H 0.787089 0.615315 0.482561 0.145 Uiso 1 1 calc R U . . .
H15D H 0.821914 0.604871 0.456300 0.145 Uiso 1 1 calc R U . . .
C16B C 0.6969(5) 0.6288(4) 0.4201(3) 0.121(2) Uani 1 1 d D U . . .
H16B H 0.724528 0.650564 0.426222 0.145 Uiso 1 1 calc R U . . .
C17B C 0.6624(5) 0.6300(5) 0.4459(4) 0.137(3) Uani 1 1 d D U . . .
H17C H 0.682887 0.636214 0.466088 0.164 Uiso 1 1 calc R U . . .
H17D H 0.644600 0.601965 0.447199 0.164 Uiso 1 1 calc R U . . .
C18B C 0.6231(6) 0.6674(6) 0.4364(4) 0.152(3) Uani 1 1 d D U . . .
H1AA H 0.636250 0.695741 0.444647 0.183 Uiso 1 1 calc R U . . .
H18F H 0.589883 0.661499 0.443329 0.183 Uiso 1 1 calc R U . . .
C19B C 0.6185(7) 0.6662(6) 0.4002(4) 0.159(3) Uani 1 1 d D U . . .
H1AB H 0.588082 0.649006 0.391816 0.191 Uiso 1 1 calc R U . . .
H19C H 0.613814 0.696015 0.392059 0.191 Uiso 1 1 calc R U . . .
C20B C 0.6661(6) 0.6461(5) 0.3897(4) 0.139(3) Uani 1 1 d D U . . .
H20C H 0.685796 0.668120 0.380097 0.167 Uiso 1 1 calc R U . . .
H20D H 0.656725 0.622195 0.374990 0.167 Uiso 1 1 calc R U . . .
C21B C 0.6588(4) 0.3764(4) 0.4194(3) 0.1030(19) Uani 1 1 d . U . . .
H21B H 0.677807 0.402501 0.419913 0.124 Uiso 1 1 calc R U . . .
C22B C 0.6814(4) 0.3392(4) 0.4102(3) 0.1075(17) Uani 1 1 d . U . . .
C23B C 0.6508(5) 0.3004(4) 0.4087(3) 0.113(2) Uani 1 1 d . U . . .
H23B H 0.663813 0.273676 0.402473 0.136 Uiso 1 1 calc R U . . .
C24B C 0.6029(5) 0.3027(4) 0.4165(3) 0.113(2) Uani 1 1 d . U . . .
H24B H 0.581970 0.277607 0.415893 0.136 Uiso 1 1 calc R U . . .
C25B C 0.5847(5) 0.3437(4) 0.4256(3) 0.109(2) Uani 1 1 d . U . . .
H25B H 0.550877 0.345290 0.430313 0.131 Uiso 1 1 calc R U . . .
C26B C 0.7941(4) 0.4114(3) 0.3704(2) 0.0943(17) Uani 1 1 d . U . . .
H26H H 0.823316 0.403927 0.384524 0.113 Uiso 1 1 calc R U . . .
C27B C 0.7501(4) 0.3877(4) 0.3705(2) 0.0982(16) Uani 1 1 d . U . . .
C28B C 0.7075(4) 0.3982(4) 0.3489(3) 0.107(2) Uani 1 1 d . U . . .
H28B H 0.675547 0.384451 0.349539 0.128 Uiso 1 1 calc R U . . .
C29B C 0.7131(4) 0.4292(4) 0.3266(3) 0.110(2) Uani 1 1 d . U . . .
H29B H 0.687120 0.432833 0.309480 0.132 Uiso 1 1 calc R U . . .
C30B C 0.7554(4) 0.4538(4) 0.3293(2) 0.1019(19) Uani 1 1 d . U . . .
H30B H 0.755786 0.478003 0.316001 0.122 Uiso 1 1 calc R U . . .
C31B C 0.7989(5) 0.3484(5) 0.4342(3) 0.1192(19) Uani 1 1 d . U . . .
H31B H 0.833017 0.349553 0.427094 0.143 Uiso 1 1 calc R U . . .
C32B C 0.7988(6) 0.3093(6) 0.4564(3) 0.137(3) Uani 1 1 d . U . . .
H32C H 0.817004 0.284032 0.449349 0.164 Uiso 1 1 calc R U . . .
H32D H 0.763628 0.300578 0.458898 0.164 Uiso 1 1 calc R U . . .
C33B C 0.8280(7) 0.3287(6) 0.4868(4) 0.147(3) Uani 1 1 d . U . . .
H33C H 0.863556 0.317840 0.490243 0.177 Uiso 1 1 calc R U . . .
H33D H 0.811103 0.319887 0.504477 0.177 Uiso 1 1 calc R U . . .
C34B C 0.8275(7) 0.3809(6) 0.4835(3) 0.143(3) Uani 1 1 d . U . . .
H34C H 0.814664 0.394290 0.501321 0.171 Uiso 1 1 calc R U . . .
H34D H 0.862496 0.391714 0.482753 0.171 Uiso 1 1 calc R U . . .
C35B C 0.7914(6) 0.3928(5) 0.4528(3) 0.126(2) Uani 1 1 d . U . . .
H35C H 0.803520 0.418624 0.442571 0.151 Uiso 1 1 calc R U . . .
H35D H 0.755549 0.397183 0.456089 0.151 Uiso 1 1 calc R U . . .
C36B C 0.7591(5) 0.2893(5) 0.3780(3) 0.127(2) Uani 1 1 d . U . . .
H36B H 0.753499 0.264980 0.392174 0.152 Uiso 1 1 calc R U . . .
C37B C 0.7232(6) 0.2796(6) 0.3469(4) 0.146(3) Uani 1 1 d D U . . .
H37C H 0.696563 0.258355 0.350502 0.175 Uiso 1 1 calc R U . . .
H37D H 0.706090 0.306551 0.338779 0.175 Uiso 1 1 calc R U . . .
C38B C 0.8075(6) 0.2595(7) 0.3398(4) 0.156(3) Uani 1 1 d D U . . .
H38F H 0.829956 0.272694 0.326196 0.187 Uiso 1 1 calc R U . . .
H38G H 0.817449 0.228745 0.343044 0.187 Uiso 1 1 calc R U . . .
C39B C 0.7542(6) 0.2620(7) 0.3250(4) 0.162(3) Uani 1 1 d D U . . .
H39C H 0.751625 0.280992 0.306707 0.194 Uiso 1 1 calc R U . . .
H39D H 0.741803 0.232790 0.318274 0.194 Uiso 1 1 calc R U . . .
C40B C 0.8141(6) 0.2829(6) 0.3701(4) 0.138(3) Uani 1 1 d . U . . .
H40F H 0.830996 0.311251 0.368369 0.166 Uiso 1 1 calc R U . . .
H40G H 0.834991 0.265444 0.386062 0.166 Uiso 1 1 calc R U . . .
C1C C 0.9567(4) 0.5437(3) 0.3697(2) 0.0945(17) Uani 1 1 d . U . . .
H1C H 0.933993 0.551959 0.383458 0.113 Uiso 1 1 calc R U . . .
C2C C 1.0028(4) 0.5644(3) 0.3716(2) 0.0973(16) Uani 1 1 d . U . . .
C3C C 1.0389(4) 0.5505(4) 0.3527(3) 0.1011(19) Uani 1 1 d . U . . .
H3C H 1.072280 0.562331 0.354514 0.121 Uiso 1 1 calc R U . . .
C4C C 1.0219(4) 0.5181(4) 0.3312(3) 0.1021(19) Uani 1 1 d . U . . .
H4CA H 1.043823 0.508721 0.317266 0.122 Uiso 1 1 calc R U . . .
C5C C 0.9761(4) 0.5001(4) 0.3299(2) 0.0981(18) Uani 1 1 d . U . . .
H5C H 0.966712 0.478226 0.315048 0.118 Uiso 1 1 calc R U . . .
C6C C 1.0957(4) 0.5501(4) 0.4326(3) 0.1012(18) Uani 1 1 d . U . . .
H6C H 1.066883 0.531444 0.431168 0.121 Uiso 1 1 calc R U . . .
C7C C 1.0879(4) 0.5923(4) 0.4199(3) 0.1020(17) Uani 1 1 d . U . . .
C8C C 1.1340(4) 0.6188(4) 0.4249(3) 0.108(2) Uani 1 1 d . U . . .
H8U H 1.132121 0.648203 0.418462 0.129 Uiso 1 1 calc R U . . .
C9C C 1.1797(4) 0.6029(4) 0.4385(3) 0.108(2) Uani 1 1 d . U . . .
H9C H 1.209372 0.620547 0.440579 0.130 Uiso 1 1 calc R U . . .
C10C C 1.1823(4) 0.5622(4) 0.4488(3) 0.108(2) Uani 1 1 d . U . . .
H10U H 1.214385 0.551542 0.458354 0.129 Uiso 1 1 calc R U . . .
C11C C 0.9775(5) 0.6138(4) 0.4303(3) 0.1150(19) Uani 1 1 d . U . . .
H11C H 0.977756 0.584481 0.440038 0.138 Uiso 1 1 calc R U . . .
C12C C 0.9991(6) 0.6463(5) 0.4568(4) 0.131(2) Uani 1 1 d . U . . .
H12E H 1.019280 0.630994 0.474288 0.157 Uiso 1 1 calc R U . . .
H12F H 1.020360 0.669244 0.449330 0.157 Uiso 1 1 calc R U . . .
C13C C 0.9499(6) 0.6647(6) 0.4655(4) 0.143(3) Uani 1 1 d . U . . .
H13E H 0.939455 0.647535 0.482594 0.171 Uiso 1 1 calc R U . . .
H13F H 0.955430 0.694998 0.472560 0.171 Uiso 1 1 calc R U . . .
C14C C 0.9109(6) 0.6632(5) 0.4399(4) 0.133(3) Uani 1 1 d . U . . .
H14E H 0.910366 0.690390 0.427923 0.160 Uiso 1 1 calc R U . . .
H14U H 0.877153 0.659193 0.446638 0.160 Uiso 1 1 calc R U . . .
C15C C 0.9238(5) 0.6246(4) 0.4207(3) 0.119(2) Uani 1 1 d . U . . .
H15E H 0.901941 0.599493 0.424033 0.142 Uiso 1 1 calc R U . . .
H15' H 0.917953 0.632112 0.398638 0.142 Uiso 1 1 calc R U . . .
C16C C 1.0279(5) 0.6639(4) 0.3807(4) 0.124(2) Uani 1 1 d . U . . .
H16C H 1.040550 0.685580 0.396918 0.148 Uiso 1 1 calc R U . . .
C17C C 0.9758(6) 0.6812(5) 0.3638(4) 0.139(3) Uani 1 1 d . U . . .
H17E H 0.953685 0.691370 0.378642 0.167 Uiso 1 1 calc R U . . .
H17F H 0.957559 0.658440 0.350669 0.167 Uiso 1 1 calc R U . . .
C18C C 0.9914(7) 0.7200(5) 0.3438(5) 0.149(3) Uani 1 1 d . U . . .
H18G H 0.964563 0.725714 0.326148 0.178 Uiso 1 1 calc R U . . .
H18H H 0.997381 0.746745 0.356207 0.178 Uiso 1 1 calc R U . . .
C19C C 1.0397(7) 0.7047(5) 0.3331(4) 0.147(3) Uani 1 1 d . U . . .
H19D H 1.064821 0.728584 0.333699 0.177 Uiso 1 1 calc R U . . .
H19E H 1.032851 0.693038 0.312012 0.177 Uiso 1 1 calc R U . . .
C20C C 1.0602(6) 0.6669(5) 0.3575(4) 0.134(2) Uani 1 1 d . U . . .
H20E H 1.060588 0.638811 0.346655 0.161 Uiso 1 1 calc R U . . .
H20F H 1.095522 0.673586 0.367013 0.161 Uiso 1 1 calc R U . . .
C21C C 0.9417(4) 0.4028(3) 0.3570(2) 0.0921(17) Uani 1 1 d . U . . .
H21C H 0.958728 0.422463 0.371658 0.111 Uiso 1 1 calc R U . . .
C22C C 0.9623(4) 0.3586(4) 0.3565(2) 0.0977(16) Uani 1 1 d . U . . .
C23C C 0.9348(4) 0.3324(4) 0.3333(3) 0.106(2) Uani 1 1 d . U . . .
H23C H 0.946199 0.303428 0.331301 0.127 Uiso 1 1 calc R U . . .
C24C C 0.8932(4) 0.3458(4) 0.3136(3) 0.105(2) Uani 1 1 d . U . . .
H24C H 0.876041 0.326906 0.298509 0.126 Uiso 1 1 calc R U . . .
C25C C 0.8761(4) 0.3905(4) 0.3166(3) 0.104(2) Uani 1 1 d . U . . .
H25C H 0.847499 0.400902 0.303103 0.124 Uiso 1 1 calc R U . . .
C26C C 1.0806(4) 0.4109(4) 0.4168(2) 0.0954(17) Uani 1 1 d . U . . .
H26I H 1.069937 0.398786 0.434647 0.114 Uiso 1 1 calc R U . . .
C27C C 1.0627(4) 0.3941(4) 0.3887(2) 0.0957(15) Uani 1 1 d . U . . .
C28C C 1.0780(4) 0.4120(4) 0.3622(3) 0.1009(18) Uani 1 1 d . U . . .
H28C H 1.065011 0.400776 0.342582 0.121 Uiso 1 1 calc R U . . .
C29C C 1.1112(4) 0.4450(4) 0.3650(3) 0.1030(19) Uani 1 1 d . U . . .
H29C H 1.122434 0.457348 0.347407 0.124 Uiso 1 1 calc R U . . .
C30C C 1.1289(4) 0.4609(4) 0.3941(2) 0.0990(18) Uani 1 1 d . U . . .
H30C H 1.152663 0.484139 0.395893 0.119 Uiso 1 1 calc R U . . .
C31C C 0.9909(5) 0.3340(5) 0.4230(3) 0.1209(19) Uani 1 1 d . U . . .
H31C H 0.977816 0.362557 0.429346 0.145 Uiso 1 1 calc R U . . .
C32C C 1.0306(6) 0.3165(5) 0.4508(3) 0.136(3) Uani 1 1 d . U . . .
H32E H 1.035669 0.337819 0.467766 0.163 Uiso 1 1 calc R U . . .
H32F H 1.063947 0.310159 0.444137 0.163 Uiso 1 1 calc R U . . .
C33C C 1.0045(7) 0.2732(6) 0.4610(4) 0.148(3) Uani 1 1 d . U . . .
H33E H 1.011586 0.269596 0.483580 0.177 Uiso 1 1 calc R U . . .
H33F H 1.017791 0.247526 0.451243 0.177 Uiso 1 1 calc R U . . .
C34C C 0.9436(7) 0.2787(6) 0.4499(4) 0.149(3) Uani 1 1 d . U . . .
H34E H 0.926024 0.250300 0.447457 0.179 Uiso 1 1 calc R U . . .
H34F H 0.927355 0.297107 0.464100 0.179 Uiso 1 1 calc R U . . .
C35C C 0.9447(6) 0.3007(6) 0.4194(4) 0.139(3) Uani 1 1 d . U . . .
H35E H 0.912146 0.316150 0.413053 0.167 Uiso 1 1 calc R U . . .
H35F H 0.949106 0.278820 0.403554 0.167 Uiso 1 1 calc R U . . .
C36C C 1.0506(5) 0.2913(4) 0.3728(3) 0.120(2) Uani 1 1 d . U . . .
H36C H 1.026792 0.266363 0.373773 0.144 Uiso 1 1 calc R U . . .
C37C C 1.0627(6) 0.2946(6) 0.3395(4) 0.140(3) Uani 1 1 d . U . . .
H37E H 1.033100 0.285360 0.324485 0.168 Uiso 1 1 calc R U . . .
H37F H 1.072380 0.324478 0.334570 0.168 Uiso 1 1 calc R U . . .
C38C C 1.1077(7) 0.2632(6) 0.3396(4) 0.144(3) Uani 1 1 d . U . . .
H38H H 1.095940 0.236420 0.328338 0.173 Uiso 1 1 calc R U . . .
H38I H 1.134186 0.276784 0.328961 0.173 Uiso 1 1 calc R U . . .
C39C C 1.1307(6) 0.2517(5) 0.3726(4) 0.140(3) Uani 1 1 d . U . . .
H39E H 1.167475 0.258890 0.376476 0.168 Uiso 1 1 calc R U . . .
H39F H 1.126203 0.220533 0.376748 0.168 Uiso 1 1 calc R U . . .
C40C C 1.0997(6) 0.2805(5) 0.3926(3) 0.133(3) Uani 1 1 d . U . . .
H40H H 1.093133 0.264429 0.411059 0.159 Uiso 1 1 calc R U . . .
H40I H 1.118825 0.307245 0.399135 0.159 Uiso 1 1 calc R U . . .
C1D C 1.1663(5) 0.5320(4) 0.5202(3) 0.115(2) Uani 1 1 d . U . . .
H1D H 1.135956 0.544838 0.509946 0.138 Uiso 1 1 calc R U . . .
C2D C 1.1873(6) 0.5510(5) 0.5474(3) 0.125(2) Uani 1 1 d . U . . .
C3D C 1.2355(6) 0.5352(5) 0.5607(3) 0.127(2) Uani 1 1 d . U . . .
H3D H 1.253904 0.549224 0.578034 0.153 Uiso 1 1 calc R U . . .
C4D C 1.2572(5) 0.4958(5) 0.5470(3) 0.123(2) Uani 1 1 d . U . . .
H4D H 1.288134 0.482864 0.556369 0.148 Uiso 1 1 calc R U . . .
C5D C 1.2310(5) 0.4798(5) 0.5209(3) 0.116(2) Uani 1 1 d . U . . .
H5D H 1.245371 0.455611 0.511917 0.140 Uiso 1 1 calc R U . . .
C6D C 1.1550(6) 0.5495(5) 0.6163(3) 0.125(2) Uani 1 1 d . U . . .
H6D H 1.144845 0.527871 0.601367 0.150 Uiso 1 1 calc R U . . .
C7D C 1.1687(7) 0.5908(5) 0.6049(4) 0.137(2) Uani 1 1 d . U . . .
C8D C 1.1811(6) 0.6233(5) 0.6298(4) 0.137(3) Uani 1 1 d . U . . .
H8D H 1.187895 0.652323 0.624455 0.165 Uiso 1 1 calc R U . . .
C9D C 1.1831(6) 0.6129(5) 0.6596(3) 0.134(3) Uani 1 1 d . U . . .
H9D H 1.193194 0.633846 0.675092 0.161 Uiso 1 1 calc R U . . .
C10D C 1.1701(6) 0.5713(4) 0.6673(3) 0.127(2) Uani 1 1 d . U . . .
H10D H 1.171655 0.565074 0.688524 0.152 Uiso 1 1 calc R U . . .
C11D C 1.1028(8) 0.6181(6) 0.5446(5) 0.171(3) Uani 1 1 d D U . . .
H11D H 1.107639 0.625802 0.523162 0.205 Uiso 1 1 calc R U . . .
C12D C 1.0850(9) 0.6595(6) 0.5597(6) 0.189(3) Uani 1 1 d D U . . .
H12G H 1.112325 0.673146 0.574302 0.226 Uiso 1 1 calc R U . . .
H12H H 1.069358 0.681138 0.544539 0.226 Uiso 1 1 calc R U . . .
C13D C 1.0469(9) 0.6359(8) 0.5751(5) 0.196(4) Uani 1 1 d D U . . .
H13G H 1.027696 0.656095 0.586567 0.235 Uiso 1 1 calc R U . . .
H13H H 1.063653 0.613701 0.589340 0.235 Uiso 1 1 calc R U . . .
C14D C 1.0124(8) 0.6151(7) 0.5489(6) 0.194(4) Uani 1 1 d D U . . .
H1AC H 1.000503 0.635266 0.531853 0.233 Uiso 1 1 calc R U . . .
H14G H 0.983362 0.599034 0.555353 0.233 Uiso 1 1 calc R U . . .
C15D C 1.0596(8) 0.5841(7) 0.5424(5) 0.182(3) Uani 1 1 d D U . . .
H1AD H 1.066936 0.561253 0.558241 0.218 Uiso 1 1 calc R U . . .
H15G H 1.053161 0.570543 0.521859 0.218 Uiso 1 1 calc R U . . .
C16D C 1.1976(9) 0.6544(7) 0.5597(5) 0.177(3) Uani 1 1 d D U . . .
H16D H 1.183979 0.677626 0.572097 0.212 Uiso 1 1 calc R U . . .
C17D C 1.1917(9) 0.6692(8) 0.5247(5) 0.196(4) Uani 1 1 d D U . . .
H17G H 1.182762 0.643438 0.511640 0.235 Uiso 1 1 calc R U . . .
H17H H 1.162669 0.689694 0.520879 0.235 Uiso 1 1 calc R U . . .
C18D C 1.2369(9) 0.6900(8) 0.5150(5) 0.201(4) Uani 1 1 d D U . . .
H18I H 1.230116 0.720213 0.507865 0.242 Uiso 1 1 calc R U . . .
H18J H 1.251072 0.673102 0.499073 0.242 Uiso 1 1 calc R U . . .
C19D C 1.2699(10) 0.6878(8) 0.5457(5) 0.197(4) Uani 1 1 d D U . . .
H19F H 1.268823 0.716370 0.555872 0.236 Uiso 1 1 calc R U . . .
H19G H 1.305547 0.682669 0.542376 0.236 Uiso 1 1 calc R U . . .
C20D C 1.2549(9) 0.6521(7) 0.5681(5) 0.189(3) Uani 1 1 d D U . . .
H20G H 1.268510 0.623259 0.563658 0.226 Uiso 1 1 calc R U . . .
H20H H 1.266077 0.659701 0.589852 0.226 Uiso 1 1 calc R U . . .
C21D C 1.1444(4) 0.3944(4) 0.5112(2) 0.1004(18) Uani 1 1 d . U . . .
H21D H 1.135148 0.417767 0.523293 0.121 Uiso 1 1 calc R U . . .
C22D C 1.1448(5) 0.3519(4) 0.5232(3) 0.1067(17) Uani 1 1 d . U . . .
C23D C 1.1630(5) 0.3168(4) 0.5055(3) 0.108(2) Uani 1 1 d . U . . .
H23D H 1.166930 0.288196 0.513428 0.130 Uiso 1 1 calc R U . . .
C24D C 1.1746(5) 0.3271(4) 0.4763(3) 0.110(2) Uani 1 1 d . U . . .
H24D H 1.183348 0.304681 0.463223 0.132 Uiso 1 1 calc R U . . .
C25D C 1.1734(4) 0.3698(4) 0.4664(3) 0.1059(19) Uani 1 1 d . U . . .
H25D H 1.184489 0.376313 0.447399 0.127 Uiso 1 1 calc R U . . .
C26D C 1.1435(4) 0.4100(4) 0.6107(3) 0.1030(19) Uani 1 1 d . U . . .
H26J H 1.109893 0.402365 0.613713 0.124 Uiso 1 1 calc R U . . .
C27D C 1.1662(5) 0.3870(4) 0.5880(3) 0.1056(17) Uani 1 1 d . U . . .
C28D C 1.2159(5) 0.3969(4) 0.5850(3) 0.108(2) Uani 1 1 d . U . . .
H28D H 1.232692 0.383148 0.569976 0.130 Uiso 1 1 calc R U . . .
C29D C 1.2411(5) 0.4284(4) 0.6052(3) 0.110(2) Uani 1 1 d . U . . .
H29D H 1.276254 0.434150 0.604820 0.133 Uiso 1 1 calc R U . . .
C30D C 1.2165(5) 0.4499(4) 0.6246(3) 0.111(2) Uani 1 1 d . U . . .
H30D H 1.234851 0.471910 0.636594 0.133 Uiso 1 1 calc R U . . .
C31D C 1.0585(5) 0.3476(4) 0.5626(3) 0.127(2) Uani 1 1 d D U . . .
H31D H 1.052164 0.352773 0.584134 0.153 Uiso 1 1 calc R U . . .
C32D C 1.0281(6) 0.3049(5) 0.5512(4) 0.143(3) Uani 1 1 d D U . . .
H32G H 1.041176 0.292526 0.533137 0.171 Uiso 1 1 calc R U . . .
H32H H 1.031273 0.282842 0.567701 0.171 Uiso 1 1 calc R U . . .
C33D C 0.9738(6) 0.3191(5) 0.5430(4) 0.153(3) Uani 1 1 d D U . . .
H33G H 0.957916 0.304334 0.524045 0.184 Uiso 1 1 calc R U . . .
H33H H 0.954045 0.311674 0.559745 0.184 Uiso 1 1 calc R U . . .
C34D C 0.9740(6) 0.3657(5) 0.5384(4) 0.151(3) Uani 1 1 d D U . . .
H34G H 0.954503 0.380047 0.553103 0.181 Uiso 1 1 calc R U . . .
H34H H 0.957474 0.372717 0.517357 0.181 Uiso 1 1 calc R U . . .
C35D C 1.0296(5) 0.3824(5) 0.5432(4) 0.140(3) Uani 1 1 d D U . . .
H35G H 1.042562 0.385555 0.523332 0.168 Uiso 1 1 calc R U . . .
H35H H 1.032216 0.410617 0.553944 0.168 Uiso 1 1 calc R U . . .
C36D C 1.1557(6) 0.2865(4) 0.5790(3) 0.129(2) Uani 1 1 d . U . . .
H36D H 1.138839 0.263748 0.564808 0.155 Uiso 1 1 calc R U . . .
C37D C 1.2113(7) 0.2799(5) 0.5825(4) 0.139(3) Uani 1 1 d . U . . .
H37G H 1.229542 0.306038 0.591235 0.167 Uiso 1 1 calc R U . . .
H37H H 1.222271 0.273372 0.562432 0.167 Uiso 1 1 calc R U . . .
C38D C 1.2215(8) 0.2422(5) 0.6039(4) 0.151(3) Uani 1 1 d . U . . .
H38J H 1.224405 0.215115 0.592156 0.181 Uiso 1 1 calc R U . . .
H38K H 1.253780 0.246647 0.617931 0.181 Uiso 1 1 calc R U . . .
C39D C 1.1792(8) 0.2396(5) 0.6209(4) 0.151(3) Uani 1 1 d . U . . .
H39G H 1.191545 0.241103 0.643169 0.182 Uiso 1 1 calc R U . . .
H39H H 1.160971 0.211711 0.616554 0.182 Uiso 1 1 calc R U . . .
C40D C 1.1425(7) 0.2781(5) 0.6111(4) 0.141(3) Uani 1 1 d . U . . .
H40J H 1.106260 0.269774 0.610540 0.169 Uiso 1 1 calc R U . . .
H40K H 1.150144 0.303552 0.624693 0.169 Uiso 1 1 calc R U . . .
C1E C 1.0481(5) 0.5375(4) 0.6818(3) 0.1050(19) Uani 1 1 d . U . . .
H1E H 1.038648 0.539507 0.660238 0.126 Uiso 1 1 calc R U . . .
C2E C 1.0212(5) 0.5634(4) 0.7012(3) 0.1037(17) Uani 1 1 d . U . . .
C3E C 1.0386(5) 0.5602(4) 0.7323(3) 0.111(2) Uani 1 1 d . U . . .
H3E H 1.023568 0.577567 0.746415 0.133 Uiso 1 1 calc R U . . .
C4E C 1.0778(5) 0.5322(4) 0.7431(3) 0.113(2) Uani 1 1 d . U . . .
H4E H 1.088100 0.529773 0.764548 0.135 Uiso 1 1 calc R U . . .
C5E C 1.1023(5) 0.5077(4) 0.7238(3) 0.114(2) Uani 1 1 d . U . . .
H5E H 1.129813 0.489475 0.732008 0.137 Uiso 1 1 calc R U . . .
C6E C 0.9028(4) 0.5624(3) 0.7223(3) 0.0994(18) Uani 1 1 d . U . . .
H6E H 0.911729 0.536709 0.712522 0.119 Uiso 1 1 calc R U . . .
C7E C 0.9229(4) 0.6016(4) 0.7133(3) 0.1052(16) Uani 1 1 d . U . . .
C8E C 0.9121(5) 0.6385(4) 0.7292(3) 0.111(2) Uani 1 1 d . U . . .
H8E H 0.926965 0.665546 0.725257 0.133 Uiso 1 1 calc R U . . .
C9E C 0.8788(5) 0.6355(4) 0.7513(3) 0.113(2) Uani 1 1 d . U . . .
H9E H 0.870263 0.660620 0.761945 0.135 Uiso 1 1 calc R U . . .
C10E C 0.8590(5) 0.5965(4) 0.7574(3) 0.108(2) Uani 1 1 d . U . . .
H10F H 0.835161 0.595200 0.771511 0.129 Uiso 1 1 calc R U . . .
C11E C 0.9386(5) 0.5810(4) 0.6446(3) 0.1162(19) Uani 1 1 d . U . . .
H11E H 0.965116 0.582049 0.630608 0.139 Uiso 1 1 calc R U . . .
C12E C 0.8928(6) 0.6088(5) 0.6297(3) 0.131(3) Uani 1 1 d . U . . .
H12I H 0.873973 0.620014 0.645862 0.158 Uiso 1 1 calc R U . . .
H12J H 0.905568 0.633889 0.619034 0.158 Uiso 1 1 calc R U . . .
C13E C 0.8571(7) 0.5823(5) 0.6070(4) 0.143(3) Uani 1 1 d . U . . .
H13I H 0.856933 0.592999 0.585800 0.172 Uiso 1 1 calc R U . . .
H13J H 0.821905 0.582929 0.612024 0.172 Uiso 1 1 calc R U . . .
C14E C 0.8809(6) 0.5348(5) 0.6111(3) 0.133(3) Uani 1 1 d . U . . .
H14H H 0.853739 0.512724 0.610905 0.159 Uiso 1 1 calc R U . . .
H14I H 0.901325 0.528120 0.594586 0.159 Uiso 1 1 calc R U . . .
C15E C 0.9136(6) 0.5357(4) 0.6412(3) 0.124(2) Uani 1 1 d . U . . .
H15H H 0.940032 0.512920 0.642220 0.149 Uiso 1 1 calc R U . . .
H1AE H 0.892846 0.530653 0.657836 0.149 Uiso 1 1 calc R U . . .
C16E C 0.9961(6) 0.6572(4) 0.6783(3) 0.125(2) Uani 1 1 d . U . . .
H16E H 0.966592 0.677594 0.673909 0.150 Uiso 1 1 calc R U . . .
C17E C 1.0267(6) 0.6593(5) 0.6508(4) 0.132(2) Uani 1 1 d . U . . .
H17I H 1.045675 0.631968 0.649182 0.158 Uiso 1 1 calc R U . . .
H17J H 1.003304 0.663824 0.631385 0.158 Uiso 1 1 calc R U . . .
C18E C 1.0637(7) 0.6976(5) 0.6569(4) 0.140(3) Uani 1 1 d . U . . .
H18K H 1.048329 0.724332 0.647252 0.168 Uiso 1 1 calc R U . . .
H18L H 1.095843 0.691500 0.648711 0.168 Uiso 1 1 calc R U . . .
C19E C 1.0741(7) 0.7026(5) 0.6930(4) 0.144(3) Uani 1 1 d . U . . .
H19H H 1.108483 0.691579 0.701271 0.173 Uiso 1 1 calc R U . . .
H19I H 1.071804 0.733402 0.698988 0.173 Uiso 1 1 calc R U . . .
C20E C 1.0320(6) 0.6752(5) 0.7055(4) 0.134(2) Uani 1 1 d . U . . .
H20I H 1.047794 0.651087 0.718314 0.160 Uiso 1 1 calc R U . . .
H20J H 1.012740 0.693559 0.718222 0.160 Uiso 1 1 calc R U . . .
C21E C 1.0635(5) 0.4078(4) 0.6894(3) 0.115(2) Uani 1 1 d . U . . .
H21E H 1.041630 0.432271 0.688490 0.138 Uiso 1 1 calc R U . . .
C22E C 1.0447(5) 0.3688(4) 0.6999(3) 0.1195(18) Uani 1 1 d . U . . .
C23E C 1.0785(5) 0.3334(5) 0.6999(3) 0.125(2) Uani 1 1 d . U . . .
H23E H 1.068958 0.305748 0.706712 0.150 Uiso 1 1 calc R U . . .
C24E C 1.1258(6) 0.3386(5) 0.6900(3) 0.125(2) Uani 1 1 d . U . . .
H24E H 1.147662 0.314298 0.689344 0.151 Uiso 1 1 calc R U . . .
C25E C 1.1422(6) 0.3817(4) 0.6804(3) 0.121(2) Uani 1 1 d . U . . .
H25E H 1.174798 0.386050 0.674336 0.145 Uiso 1 1 calc R U . . .
C26E C 0.9267(4) 0.4350(3) 0.7370(3) 0.1021(19) Uani 1 1 d . U . . .
H26K H 0.898670 0.424145 0.723170 0.123 Uiso 1 1 calc R U . . .
C27E C 0.9713(5) 0.4148(4) 0.7374(3) 0.1098(18) Uani 1 1 d . U . . .
C28E C 1.0125(5) 0.4306(4) 0.7594(3) 0.110(2) Uani 1 1 d . U . . .
H28E H 1.045094 0.417276 0.761232 0.132 Uiso 1 1 calc R U . . .
C29E C 1.0045(4) 0.4645(4) 0.7774(3) 0.108(2) Uani 1 1 d . U . . .
H29E H 1.031649 0.475864 0.791586 0.130 Uiso 1 1 calc R U . . .
C30E C 0.9561(4) 0.4826(4) 0.7750(3) 0.105(2) Uani 1 1 d . U . . .
H30E H 0.950465 0.505377 0.788595 0.126 Uiso 1 1 calc R U . . .
C31E C 0.9319(7) 0.3652(5) 0.6780(4) 0.143(2) Uani 1 1 d D U . . .
H31E H 0.897901 0.365875 0.685281 0.172 Uiso 1 1 calc R U . . .
C32E C 0.9340(8) 0.4074(6) 0.6559(4) 0.160(3) Uani 1 1 d D U . . .
H32I H 0.915929 0.432052 0.663833 0.192 Uiso 1 1 calc R U . . .
H32J H 0.969891 0.415988 0.655405 0.192 Uiso 1 1 calc R U . . .
C33E C 0.9093(9) 0.3955(6) 0.6248(4) 0.174(3) Uani 1 1 d D U . . .
H33I H 0.921219 0.413120 0.608474 0.209 Uiso 1 1 calc R U . . .
H33J H 0.871545 0.395810 0.622676 0.209 Uiso 1 1 calc R U . . .
C34E C 0.9322(9) 0.3488(6) 0.6272(4) 0.173(3) Uani 1 1 d D U . . .
H34I H 0.913134 0.331130 0.610545 0.207 Uiso 1 1 calc R U . . .
H34J H 0.967885 0.350643 0.623094 0.207 Uiso 1 1 calc R U . . .
C35E C 0.9321(8) 0.3244(6) 0.6574(4) 0.161(3) Uani 1 1 d D U . . .
H35I H 0.963008 0.306431 0.662874 0.193 Uiso 1 1 calc R U . . .
H35J H 0.901129 0.306374 0.657398 0.193 Uiso 1 1 calc R U . . .
C36E C 0.9759(6) 0.3150(5) 0.7362(4) 0.141(2) Uani 1 1 d D U . . .
H36E H 0.978596 0.289890 0.722102 0.170 Uiso 1 1 calc R U . . .
C37E C 1.0170(7) 0.3088(6) 0.7639(4) 0.155(3) Uani 1 1 d D U . . .
H37I H 1.027584 0.336900 0.773605 0.186 Uiso 1 1 calc R U . . .
H37Z H 1.047375 0.294028 0.757968 0.186 Uiso 1 1 calc R U . . .
C38E C 0.9898(7) 0.2797(7) 0.7856(5) 0.168(3) Uani 1 1 d D U . . .
H38L H 0.994389 0.248678 0.781064 0.202 Uiso 1 1 calc R U . . .
H38' H 1.004131 0.285174 0.807313 0.202 Uiso 1 1 calc R U . . .
C39E C 0.9369(7) 0.2909(7) 0.7803(4) 0.165(3) Uani 1 1 d D U . . .
H39I H 0.928989 0.312477 0.795615 0.198 Uiso 1 1 calc R U . . .
H39Z H 0.915512 0.264925 0.781772 0.198 Uiso 1 1 calc R U . . .
C40E C 0.9272(7) 0.3096(6) 0.7488(4) 0.154(3) Uani 1 1 d D U . . .
H40L H 0.904176 0.290177 0.735333 0.185 Uiso 1 1 calc R U . . .
H40Z H 0.910215 0.338094 0.749471 0.185 Uiso 1 1 calc R U . . .
C1F C 0.7442(4) 0.5495(3) 0.7313(2) 0.0969(17) Uani 1 1 d . U . . .
H1F H 0.765129 0.560237 0.717285 0.116 Uiso 1 1 calc R U . . .
C2F C 0.6953(4) 0.5642(4) 0.7281(2) 0.1003(16) Uani 1 1 d . U . . .
C3F C 0.6637(5) 0.5485(4) 0.7491(2) 0.1047(19) Uani 1 1 d . U . . .
H3F H 0.629585 0.558426 0.748208 0.126 Uiso 1 1 calc R U . . .
C4F C 0.6839(5) 0.5177(4) 0.7713(3) 0.107(2) Uani 1 1 d . U . . .
H4F H 0.663067 0.505683 0.784952 0.128 Uiso 1 1 calc R U . . .
C5F C 0.7345(5) 0.5051(4) 0.7728(2) 0.1058(19) Uani 1 1 d . U . . .
H5F H 0.747975 0.485029 0.788265 0.127 Uiso 1 1 calc R U . . .
C6F C 0.6068(4) 0.5387(3) 0.6675(2) 0.0977(17) Uani 1 1 d . U . . .
H6F H 0.637283 0.522191 0.671222 0.117 Uiso 1 1 calc R U . . .
C7F C 0.6098(4) 0.5824(3) 0.6772(2) 0.0973(16) Uani 1 1 d . U . . .
C8F C 0.5635(4) 0.6052(4) 0.6696(2) 0.1026(19) Uani 1 1 d . U . . .
H8F H 0.562822 0.635279 0.674050 0.123 Uiso 1 1 calc R U . . .
C9F C 0.5194(5) 0.5856(4) 0.6562(3) 0.1041(19) Uani 1 1 d . U . . .
H9F H 0.488333 0.601446 0.652408 0.125 Uiso 1 1 calc R U . . .
C10F C 0.5211(4) 0.5422(4) 0.6482(3) 0.1038(19) Uani 1 1 d . U . . .
H10G H 0.490742 0.528757 0.638565 0.125 Uiso 1 1 calc R U . . .
C11F C 0.7162(5) 0.6166(5) 0.6712(3) 0.1170(19) Uani 1 1 d . U . . .
H11F H 0.720803 0.588893 0.660084 0.140 Uiso 1 1 calc R U . . .
C12F C 0.6960(6) 0.6518(5) 0.6464(4) 0.134(3) Uani 1 1 d . U . . .
H12K H 0.676366 0.638337 0.627998 0.161 Uiso 1 1 calc R U . . .
H12L H 0.674434 0.673594 0.654883 0.161 Uiso 1 1 calc R U . . .
C13F C 0.7466(6) 0.6723(6) 0.6390(4) 0.143(3) Uani 1 1 d D U . . .
H13K H 0.761586 0.653725 0.624306 0.171 Uiso 1 1 calc R U . . .
H13' H 0.739716 0.701236 0.629655 0.171 Uiso 1 1 calc R U . . .
C14F C 0.7812(6) 0.6760(5) 0.6670(4) 0.141(3) Uani 1 1 d D U . . .
H14J H 0.773835 0.702183 0.678563 0.169 Uiso 1 1 calc R U . . .
H1AF H 0.816964 0.677111 0.662970 0.169 Uiso 1 1 calc R U . . .
C15F C 0.7707(5) 0.6341(5) 0.6844(4) 0.127(2) Uani 1 1 d . U . . .
H15X H 0.772397 0.640415 0.706536 0.153 Uiso 1 1 calc R U . . .
H15J H 0.796823 0.612018 0.681817 0.153 Uiso 1 1 calc R U . . .
C15G C 0.2151(5) 0.6896(5) 0.0689(4) 0.141(3) Uani 1 1 d D U . . .
H15Y H 0.211123 0.715385 0.055399 0.169 Uiso 1 1 calc R U . . .
H15L H 0.207799 0.697651 0.089609 0.169 Uiso 1 1 calc R U . . .
C16F C 0.6523(6) 0.6575(4) 0.7175(3) 0.124(2) Uani 1 1 d . U . . .
H16F H 0.639952 0.677779 0.700355 0.149 Uiso 1 1 calc R U . . .
C17F C 0.6954(7) 0.6819(6) 0.7376(4) 0.146(3) Uani 1 1 d . U . . .
H17K H 0.716581 0.697962 0.724675 0.175 Uiso 1 1 calc R U . . .
H17L H 0.717505 0.661295 0.750704 0.175 Uiso 1 1 calc R U . . .
C18F C 0.6695(7) 0.7135(6) 0.7576(5) 0.154(3) Uani 1 1 d . U . . .
H18M H 0.680137 0.707241 0.779632 0.185 Uiso 1 1 calc R U . . .
H18N H 0.678792 0.743781 0.753481 0.185 Uiso 1 1 calc R U . . .
C19F C 0.6140(7) 0.7069(6) 0.7493(5) 0.153(3) Uani 1 1 d . U . . .
H19J H 0.599864 0.726716 0.732489 0.184 Uiso 1 1 calc R U . . .
H19K H 0.596041 0.711898 0.767151 0.184 Uiso 1 1 calc R U . . .
C20F C 0.6086(6) 0.6564(5) 0.7381(4) 0.138(3) Uani 1 1 d . U . . .
H20K H 0.615847 0.635735 0.755398 0.166 Uiso 1 1 calc R U . . .
H20L H 0.574849 0.649998 0.726134 0.166 Uiso 1 1 calc R U . . .
C21F C 0.7833(5) 0.4103(4) 0.7456(2) 0.1037(19) Uani 1 1 d . U . . .
H21F H 0.767541 0.426347 0.728384 0.124 Uiso 1 1 calc R U . . .
C22F C 0.7664(5) 0.3672(4) 0.7473(3) 0.1092(18) Uani 1 1 d . U . . .
C23F C 0.7953(5) 0.3447(4) 0.7737(3) 0.115(2) Uani 1 1 d . U . . .
H23F H 0.788396 0.314918 0.776826 0.138 Uiso 1 1 calc R U . . .
C24F C 0.8299(5) 0.3639(4) 0.7927(3) 0.113(2) Uani 1 1 d . U . . .
H24G H 0.846812 0.348680 0.809920 0.136 Uiso 1 1 calc R U . . .
C25F C 0.8418(5) 0.4053(4) 0.7880(3) 0.113(2) Uani 1 1 d . U . . .
H25H H 0.868524 0.417943 0.801861 0.136 Uiso 1 1 calc R U . . .
C26F C 0.6386(4) 0.4021(3) 0.6868(3) 0.1027(19) Uani 1 1 d . U . . .
H26L H 0.648874 0.390111 0.668780 0.123 Uiso 1 1 calc R U . . .
C27F C 0.6627(5) 0.3878(4) 0.7143(3) 0.1046(17) Uani 1 1 d . U . . .
C28F C 0.6464(5) 0.4051(4) 0.7399(3) 0.1063(19) Uani 1 1 d . U . . .
H28F H 0.661853 0.396030 0.759648 0.128 Uiso 1 1 calc R U . . .
C29F C 0.6074(5) 0.4358(4) 0.7371(3) 0.109(2) Uani 1 1 d . U . . .
H29F H 0.596705 0.448239 0.754865 0.131 Uiso 1 1 calc R U . . .
C30F C 0.5850(5) 0.4477(4) 0.7088(2) 0.1035(19) Uani 1 1 d . U . . .
H30F H 0.557231 0.467455 0.706780 0.124 Uiso 1 1 calc R U . . .
C31F C 0.7414(6) 0.3366(5) 0.6819(3) 0.138(2) Uani 1 1 d D U . . .
H31F H 0.751819 0.366244 0.676066 0.166 Uiso 1 1 calc R U . . .
C32F C 0.7069(7) 0.3199(6) 0.6537(4) 0.157(3) Uani 1 1 d D U . . .
H32K H 0.672623 0.313179 0.658855 0.188 Uiso 1 1 calc R U . . .
H32L H 0.703245 0.342156 0.637303 0.188 Uiso 1 1 calc R U . . .
C33F C 0.7307(7) 0.2801(6) 0.6431(5) 0.167(3) Uani 1 1 d D U . . .
H33K H 0.726353 0.278967 0.620394 0.201 Uiso 1 1 calc R U . . .
H33L H 0.715292 0.253826 0.650772 0.201 Uiso 1 1 calc R U . . .
C34F C 0.7864(7) 0.2833(6) 0.6561(4) 0.162(3) Uani 1 1 d D U . . .
H34K H 0.800756 0.254185 0.661267 0.194 Uiso 1 1 calc R U . . .
H34L H 0.805883 0.297108 0.641184 0.194 Uiso 1 1 calc R U . . .
C35F C 0.7886(7) 0.3101(6) 0.6840(4) 0.154(3) Uani 1 1 d D U . . .
H35K H 0.818839 0.329364 0.685882 0.185 Uiso 1 1 calc R U . . .
H35L H 0.791614 0.291317 0.702367 0.185 Uiso 1 1 calc R U . . .
C36F C 0.6876(7) 0.2904(5) 0.7343(4) 0.154(2) Uani 1 1 d D U . . .
H36F H 0.715813 0.268537 0.736801 0.184 Uiso 1 1 calc R U . . .
C37F C 0.6686(7) 0.2945(6) 0.7643(5) 0.167(3) Uani 1 1 d D U . . .
H37Y H 0.691733 0.278167 0.779950 0.200 Uiso 1 1 calc R U . . .
H37K H 0.670028 0.325360 0.770453 0.200 Uiso 1 1 calc R U . . .
C37G C -0.0258(7) 0.3528(6) 0.0787(4) 0.159(3) Uani 1 1 d D U . . .
H37L H -0.018143 0.377435 0.093066 0.191 Uiso 1 1 calc R U . . .
H37M H -0.003761 0.327896 0.086019 0.191 Uiso 1 1 calc R U . . .
C38F C 0.6179(8) 0.2790(7) 0.7641(5) 0.181(3) Uani 1 1 d D U . . .
H38T H 0.598553 0.296729 0.777161 0.217 Uiso 1 1 calc R U . . .
H38N H 0.617080 0.248138 0.770209 0.217 Uiso 1 1 calc R U . . .
C39F C 0.5985(8) 0.2857(7) 0.7289(5) 0.182(3) Uani 1 1 d D U . . .
H39Y H 0.567349 0.268308 0.722464 0.218 Uiso 1 1 calc R U . . .
H39K H 0.590667 0.316587 0.724429 0.218 Uiso 1 1 calc R U . . .
C40F C 0.6419(7) 0.2705(6) 0.7125(5) 0.172(3) Uani 1 1 d D U . . .
H40T H 0.639232 0.282457 0.691500 0.206 Uiso 1 1 calc R U . . .
H40N H 0.643913 0.238443 0.711703 0.206 Uiso 1 1 calc R U . . .
C1G C 0.0901(4) 0.6063(3) 0.1069(2) 0.0962(17) Uani 1 1 d . U . . .
H1G H 0.093013 0.583901 0.092463 0.115 Uiso 1 1 calc R U . . .
C2G C 0.0971(4) 0.6493(3) 0.0980(2) 0.0996(16) Uani 1 1 d . U . . .
C3G C 0.0943(5) 0.6818(4) 0.1193(2) 0.1025(19) Uani 1 1 d . U . . .
H3G H 0.099910 0.711169 0.114292 0.123 Uiso 1 1 calc R U . . .
C4G C 0.0831(5) 0.6705(4) 0.1483(3) 0.109(2) Uani 1 1 d . U . . .
H4G H 0.080524 0.692533 0.163034 0.130 Uiso 1 1 calc R U . . .
C5G C 0.0759(4) 0.6282(4) 0.1555(2) 0.1006(19) Uani 1 1 d . U . . .
H5G H 0.068188 0.621760 0.175432 0.121 Uiso 1 1 calc R U . . .
C6G C 0.0857(4) 0.5982(3) 0.0055(2) 0.0896(16) Uani 1 1 d . U . . .
H6G H 0.120046 0.602011 0.002274 0.108 Uiso 1 1 calc R U . . .
C7G C 0.0681(4) 0.6209(3) 0.0307(2) 0.0952(16) Uani 1 1 d . U . . .
C8G C 0.0178(4) 0.6149(4) 0.0344(2) 0.0969(18) Uani 1 1 d . U . . .
H8G H 0.004977 0.628890 0.050845 0.116 Uiso 1 1 calc R U . . .
C9G C -0.0152(4) 0.5880(4) 0.0140(2) 0.1005(19) Uani 1 1 d . U . . .
H9G H -0.050252 0.584240 0.015835 0.121 Uiso 1 1 calc R U . . .
C10G C 0.0077(4) 0.5675(4) -0.0088(2) 0.0932(17) Uani 1 1 d . U . . .
H10H H -0.012925 0.548605 -0.022329 0.112 Uiso 1 1 calc R U . . .
C11G C 0.1808(5) 0.6508(4) 0.0550(3) 0.122(2) Uani 1 1 d D U . . .
H11G H 0.184516 0.649447 0.032740 0.146 Uiso 1 1 calc R U . . .
C12G C 0.2052(5) 0.6115(5) 0.0690(4) 0.135(2) Uani 1 1 d D U . . .
H12M H 0.194969 0.585759 0.056225 0.163 Uiso 1 1 calc R U . . .
H12N H 0.195720 0.606841 0.089719 0.163 Uiso 1 1 calc R U . . .
C13G C 0.2640(5) 0.6200(5) 0.0711(4) 0.147(3) Uani 1 1 d D U . . .
H13L H 0.282714 0.608315 0.090431 0.177 Uiso 1 1 calc R U . . .
H13M H 0.277677 0.606526 0.053557 0.177 Uiso 1 1 calc R U . . .
C14G C 0.2682(5) 0.6686(5) 0.0701(5) 0.150(3) Uani 1 1 d D U . . .
H14N H 0.283364 0.677329 0.051730 0.180 Uiso 1 1 calc R U . . .
H14M H 0.290911 0.678941 0.088474 0.180 Uiso 1 1 calc R U . . .
C16G C 0.0907(5) 0.7148(4) 0.0440(3) 0.1184(19) Uani 1 1 d D U . . .
H16G H 0.112547 0.734942 0.058038 0.142 Uiso 1 1 calc R U . . .
C17G C 0.0350(5) 0.7283(5) 0.0459(3) 0.129(2) Uani 1 1 d D U . . .
H17M H 0.032116 0.740870 0.066298 0.155 Uiso 1 1 calc R U . . .
H17N H 0.011807 0.703089 0.042398 0.155 Uiso 1 1 calc R U . . .
C18G C 0.0214(7) 0.7637(5) 0.0196(3) 0.148(3) Uani 1 1 d D U . . .
H18O H -0.015854 0.765020 0.012761 0.178 Uiso 1 1 calc R U . . .
H18P H 0.033590 0.792813 0.026756 0.178 Uiso 1 1 calc R U . . .
C19G C 0.0490(6) 0.7481(6) -0.0059(4) 0.153(3) Uani 1 1 d D U . . .
H19L H 0.056479 0.772542 -0.019185 0.183 Uiso 1 1 calc R U . . .
H19M H 0.028517 0.726200 -0.018710 0.183 Uiso 1 1 calc R U . . .
C20G C 0.0988(6) 0.7280(5) 0.0108(3) 0.138(3) Uani 1 1 d D U . . .
H20M H 0.126918 0.749315 0.011751 0.166 Uiso 1 1 calc R U . . .
H20N H 0.108067 0.702198 -0.000499 0.166 Uiso 1 1 calc R U . . .
C21G C 0.0452(4) 0.4753(4) 0.0894(2) 0.0994(18) Uani 1 1 d . U . . .
H21G H 0.075981 0.460431 0.096674 0.119 Uiso 1 1 calc R U . . .
C22G C 0.0161(5) 0.4599(4) 0.0627(2) 0.1026(16) Uani 1 1 d . U . . .
C23G C -0.0274(4) 0.4840(4) 0.0523(3) 0.108(2) Uani 1 1 d . U . . .
H23G H -0.048709 0.476128 0.033860 0.130 Uiso 1 1 calc R U . . .
C24G C -0.0394(4) 0.5201(4) 0.0693(3) 0.109(2) Uani 1 1 d . U . . .
H24H H -0.069024 0.536657 0.062203 0.131 Uiso 1 1 calc R U . . .
C25G C -0.0102(4) 0.5315(4) 0.0951(2) 0.0992(18) Uani 1 1 d . U . . .
H25I H -0.019771 0.555551 0.106435 0.119 Uiso 1 1 calc R U . . .
C26G C 0.0515(4) 0.4625(4) -0.0076(2) 0.0987(18) Uani 1 1 d . U . . .
H26M H 0.067105 0.480922 0.008366 0.118 Uiso 1 1 calc R U . . .
C27G C 0.0300(5) 0.4238(4) 0.0006(3) 0.1059(17) Uani 1 1 d . U . . .
C28G C 0.0101(5) 0.3965(4) -0.0236(3) 0.107(2) Uani 1 1 d . U . . .
H28G H -0.003438 0.369130 -0.019163 0.128 Uiso 1 1 calc R U . . .
C29G C 0.0097(5) 0.4091(4) -0.0547(3) 0.109(2) Uani 1 1 d . U . . .
H29G H -0.005998 0.391793 -0.071260 0.130 Uiso 1 1 calc R U . . .
C30G C 0.0329(4) 0.4473(4) -0.0595(2) 0.1014(19) Uani 1 1 d . U . . .
H30G H 0.036291 0.454739 -0.080028 0.122 Uiso 1 1 calc R U . . .
C31G C 0.0955(6) 0.3830(5) 0.0582(3) 0.133(2) Uani 1 1 d . U . . .
H31G H 0.091064 0.369564 0.078302 0.159 Uiso 1 1 calc R U . . .
C32G C 0.1084(7) 0.3446(6) 0.0367(4) 0.153(3) Uani 1 1 d . U . . .
H32M H 0.090537 0.317526 0.040867 0.183 Uiso 1 1 calc R U . . .
H32' H 0.100046 0.352211 0.014744 0.183 Uiso 1 1 calc R U . . .
C33G C 0.1648(8) 0.3414(6) 0.0467(5) 0.163(3) Uani 1 1 d . U . . .
H33M H 0.180927 0.328433 0.029875 0.196 Uiso 1 1 calc R U . . .
H33N H 0.171480 0.321924 0.064654 0.196 Uiso 1 1 calc R U . . .
C34G C 0.1899(8) 0.3869(6) 0.0553(5) 0.158(3) Uani 1 1 d . U . . .
H34N H 0.203053 0.400420 0.037590 0.190 Uiso 1 1 calc R U . . .
H34O H 0.217799 0.384787 0.072765 0.190 Uiso 1 1 calc R U . . .
C35G C 0.1410(6) 0.4135(5) 0.0646(4) 0.140(3) Uani 1 1 d . U . . .
H35N H 0.147060 0.421702 0.086507 0.168 Uiso 1 1 calc R U . . .
H35O H 0.134878 0.440192 0.052086 0.168 Uiso 1 1 calc R U . . .
C36G C -0.0199(7) 0.3651(5) 0.0468(3) 0.142(2) Uani 1 1 d D U . . .
H36G H -0.010813 0.338263 0.036075 0.170 Uiso 1 1 calc R U . . .
C38G C -0.0857(7) 0.3399(7) 0.0746(4) 0.172(3) Uani 1 1 d D U . . .
H38O H -0.088493 0.307891 0.074803 0.207 Uiso 1 1 calc R U . . .
H38P H -0.100487 0.351119 0.092388 0.207 Uiso 1 1 calc R U . . .
C39G C -0.1185(7) 0.3574(7) 0.0444(5) 0.174(3) Uani 1 1 d D U . . .
H39L H -0.134228 0.334007 0.030748 0.209 Uiso 1 1 calc R U . . .
H39M H -0.144435 0.378956 0.048268 0.209 Uiso 1 1 calc R U . . .
C40G C -0.0731(7) 0.3770(6) 0.0338(4) 0.160(3) Uani 1 1 d D U . . .
H40O H -0.076066 0.408695 0.036363 0.192 Uiso 1 1 calc R U . . .
H40P H -0.076398 0.371537 0.011424 0.192 Uiso 1 1 calc R U . . .
C1H C 0.1631(4) 0.5961(4) -0.0756(2) 0.0988(18) Uani 1 1 d . U . . .
H1H H 0.181526 0.569653 -0.075245 0.119 Uiso 1 1 calc R U . . .
C2H C 0.1861(4) 0.6330(4) -0.0860(3) 0.1021(17) Uani 1 1 d . U . . .
C3H C 0.1573(5) 0.6713(4) -0.0874(3) 0.110(2) Uani 1 1 d . U . . .
H3H H 0.170267 0.696884 -0.095553 0.132 Uiso 1 1 calc R U . . .
C4H C 0.1089(5) 0.6725(4) -0.0769(3) 0.112(2) Uani 1 1 d . U . . .
H4H H 0.090595 0.698841 -0.076214 0.134 Uiso 1 1 calc R U . . .
C5H C 0.0895(4) 0.6334(4) -0.0676(3) 0.1013(19) Uani 1 1 d . U . . .
H5H H 0.056018 0.633263 -0.062240 0.122 Uiso 1 1 calc R U . . .
C6H C 0.2912(4) 0.5560(3) -0.1285(2) 0.0926(17) Uani 1 1 d . U . . .
H6H H 0.321425 0.562480 -0.114816 0.111 Uiso 1 1 calc R U . . .
C7H C 0.2495(4) 0.5798(4) -0.1264(2) 0.0950(15) Uani 1 1 d . U . . .
C8H C 0.2050(4) 0.5695(4) -0.1475(3) 0.1043(19) Uani 1 1 d . U . . .
H8H H 0.174811 0.586002 -0.147335 0.125 Uiso 1 1 calc R U . . .
C9H C 0.2051(4) 0.5364(4) -0.1678(3) 0.1037(19) Uani 1 1 d . U . . .
H9H H 0.175423 0.529234 -0.181625 0.124 Uiso 1 1 calc R U . . .
C10H C 0.2499(4) 0.5135(4) -0.1675(2) 0.0990(18) Uani 1 1 d . U . . .
H10I H 0.250006 0.489780 -0.181250 0.119 Uiso 1 1 calc R U . . .
C11H C 0.3023(5) 0.6219(4) -0.0656(3) 0.1196(19) Uani 1 1 d D U . . .
H11H H 0.335587 0.618950 -0.073595 0.144 Uiso 1 1 calc R U . . .
C12H C 0.2971(6) 0.5823(5) -0.0439(3) 0.132(2) Uani 1 1 d D U . . .
H12O H 0.260505 0.577855 -0.042373 0.159 Uiso 1 1 calc R U . . .
H12P H 0.309593 0.555937 -0.053186 0.159 Uiso 1 1 calc R U . . .
C13H C 0.3261(7) 0.5876(5) -0.0116(4) 0.150(3) Uani 1 1 d D U . . .
H13W H 0.359975 0.573399 -0.009161 0.180 Uiso 1 1 calc R U . . .
H13O H 0.306402 0.577330 0.004398 0.180 Uiso 1 1 calc R U . . .
C14H C 0.3300(8) 0.6370(5) -0.0125(4) 0.155(3) Uani 1 1 d D U . . .
H1AG H 0.312312 0.649149 0.003897 0.185 Uiso 1 1 calc R U . . .
H1AH H 0.366396 0.645276 -0.007875 0.185 Uiso 1 1 calc R U . . .
C15H C 0.3080(6) 0.6572(5) -0.0423(3) 0.138(3) Uani 1 1 d D U . . .
H15M H 0.274449 0.670380 -0.040648 0.166 Uiso 1 1 calc R U . . .
H1AI H 0.331021 0.680070 -0.048084 0.166 Uiso 1 1 calc R U . . .
C16H C 0.2610(5) 0.6799(5) -0.1216(4) 0.123(2) Uani 1 1 d . U . . .
H16H H 0.260386 0.704748 -0.107154 0.148 Uiso 1 1 calc R U . . .
C17H C 0.2233(6) 0.6897(6) -0.1493(4) 0.141(3) Uani 1 1 d . U . . .
H17O H 0.193811 0.705673 -0.143404 0.169 Uiso 1 1 calc R U . . .
H17P H 0.210795 0.662557 -0.159761 0.169 Uiso 1 1 calc R U . . .
C18H C 0.2523(6) 0.7189(6) -0.1717(4) 0.152(3) Uani 1 1 d . U . . .
H18Q H 0.240096 0.712255 -0.193469 0.182 Uiso 1 1 calc R U . . .
H18R H 0.247222 0.750223 -0.168047 0.182 Uiso 1 1 calc R U . . .
C19H C 0.3058(6) 0.7066(6) -0.1632(4) 0.148(3) Uani 1 1 d . U . . .
H19N H 0.326907 0.733275 -0.160972 0.178 Uiso 1 1 calc R U . . .
H19O H 0.316572 0.689332 -0.180101 0.178 Uiso 1 1 calc R U . . .
C20H C 0.3164(6) 0.6802(5) -0.1332(4) 0.136(3) Uani 1 1 d . U . . .
H20O H 0.342335 0.694487 -0.118008 0.163 Uiso 1 1 calc R U . . .
H20P H 0.327886 0.650402 -0.137032 0.163 Uiso 1 1 calc R U . . .
C21H C 0.1563(4) 0.4672(3) -0.0728(2) 0.0964(17) Uani 1 1 d . U . . .
H21H H 0.167341 0.464423 -0.051368 0.116 Uiso 1 1 calc R U . . .
C22H C 0.1786(4) 0.4386(4) -0.0935(3) 0.1017(16) Uani 1 1 d . U . . .
C23H C 0.1624(4) 0.4443(4) -0.1251(3) 0.1036(19) Uani 1 1 d . U . . .
H23H H 0.175758 0.426628 -0.139679 0.124 Uiso 1 1 calc R U . . .
C24H C 0.1249(4) 0.4777(4) -0.1353(2) 0.0973(18) Uani 1 1 d . U . . .
H24I H 0.112491 0.481373 -0.156427 0.117 Uiso 1 1 calc R U . . .
C25H C 0.1080(4) 0.5036(4) -0.1137(2) 0.0969(18) Uani 1 1 d . U . . .
H25J H 0.086178 0.527123 -0.120585 0.116 Uiso 1 1 calc R U . . .
C26H C 0.2954(4) 0.4268(4) -0.1177(2) 0.0967(17) Uani 1 1 d . U . . .
H26N H 0.291710 0.452882 -0.106780 0.116 Uiso 1 1 calc R U . . .
C27H C 0.2700(4) 0.3901(4) -0.1095(3) 0.1028(16) Uani 1 1 d . U . . .
C28H C 0.2766(4) 0.3524(4) -0.1246(3) 0.1040(19) Uani 1 1 d . U . . .
H28H H 0.260079 0.326771 -0.119255 0.125 Uiso 1 1 calc R U . . .
C29H C 0.3069(4) 0.3511(4) -0.1475(3) 0.109(2) Uani 1 1 d . U . . .
H29H H 0.311647 0.324557 -0.157641 0.130 Uiso 1 1 calc R U . . .
C30H C 0.3300(4) 0.3877(4) -0.1553(3) 0.1047(19) Uani 1 1 d . U . . .
H30H H 0.350182 0.386792 -0.171461 0.126 Uiso 1 1 calc R U . . .
C31H C 0.2626(6) 0.4123(5) -0.0388(3) 0.124(2) Uani 1 1 d . U . . .
H31H H 0.237290 0.413299 -0.023962 0.149 Uiso 1 1 calc R U . . .
C32H C 0.2899(6) 0.4537(5) -0.0362(3) 0.131(2) Uani 1 1 d . U . . .
H32Q H 0.266052 0.478354 -0.036104 0.157 Uiso 1 1 calc R U . . .
H32O H 0.310223 0.457472 -0.053148 0.157 Uiso 1 1 calc R U . . .
C33H C 0.3245(7) 0.4495(6) -0.0052(4) 0.145(3) Uani 1 1 d . U . . .
H33O H 0.354027 0.469407 -0.004261 0.174 Uiso 1 1 calc R U . . .
H33P H 0.305402 0.456345 0.011890 0.174 Uiso 1 1 calc R U . . .
C34H C 0.3410(7) 0.4050(6) -0.0038(4) 0.158(3) Uani 1 1 d D U . . .
H34M H 0.341688 0.393824 0.017310 0.189 Uiso 1 1 calc R U . . .
H34P H 0.375980 0.403028 -0.009174 0.189 Uiso 1 1 calc R U . . .
C35H C 0.3055(6) 0.3788(5) -0.0255(4) 0.145(3) Uani 1 1 d D U . . .
H35M H 0.290974 0.354569 -0.014856 0.174 Uiso 1 1 calc R U . . .
H35P H 0.322972 0.366849 -0.042115 0.174 Uiso 1 1 calc R U . . .
C36H C 0.1922(6) 0.3397(5) -0.0751(4) 0.135(2) Uani 1 1 d . U . . .
H36H H 0.218080 0.315951 -0.071499 0.162 Uiso 1 1 calc R U . . .
C37H C 0.1604(7) 0.3445(5) -0.0449(4) 0.146(3) Uani 1 1 d . U . . .
H37N H 0.181811 0.335138 -0.025705 0.176 Uiso 1 1 calc R U . . .
H37O H 0.149222 0.374743 -0.042474 0.176 Uiso 1 1 calc R U . . .
C38H C 0.1182(7) 0.3167(6) -0.0523(5) 0.158(3) Uani 1 1 d . U . . .
H38Q H 0.088268 0.328885 -0.044182 0.190 Uiso 1 1 calc R U . . .
H38R H 0.125955 0.288002 -0.042699 0.190 Uiso 1 1 calc R U . . .
C39H C 0.1069(8) 0.3120(6) -0.0848(5) 0.162(3) Uani 1 1 d . U . . .
H39N H 0.075642 0.328599 -0.092403 0.194 Uiso 1 1 calc R U . . .
H39O H 0.100298 0.281100 -0.089918 0.194 Uiso 1 1 calc R U . . .
C40H C 0.1524(7) 0.3288(6) -0.1015(4) 0.149(3) Uani 1 1 d . U . . .
H40Q H 0.164313 0.305864 -0.114490 0.179 Uiso 1 1 calc R U . . .
H40R H 0.142245 0.354618 -0.114233 0.179 Uiso 1 1 calc R U . . .
C1I C 0.4411(4) 0.5620(4) -0.1440(3) 0.1014(19) Uani 1 1 d . U . . .
H1I H 0.457711 0.542823 -0.128888 0.122 Uiso 1 1 calc R U . . .
C2I C 0.4645(4) 0.6015(4) -0.1469(2) 0.1011(17) Uani 1 1 d . U . . .
C3I C 0.4396(4) 0.6303(4) -0.1699(3) 0.108(2) Uani 1 1 d . U . . .
H3I H 0.452632 0.658364 -0.173015 0.130 Uiso 1 1 calc R U . . .
C4I C 0.3930(5) 0.6140(4) -0.1883(3) 0.113(2) Uani 1 1 d . U . . .
H4I H 0.376109 0.631324 -0.204505 0.135 Uiso 1 1 calc R U . . .
C5I C 0.3741(4) 0.5754(4) -0.1829(3) 0.106(2) Uani 1 1 d . U . . .
H5I H 0.343366 0.566472 -0.195084 0.127 Uiso 1 1 calc R U . . .
C6I C 0.5851(4) 0.5453(4) -0.0906(2) 0.1003(18) Uani 1 1 d . U . . .
H6I H 0.576000 0.556803 -0.072175 0.120 Uiso 1 1 calc R U . . .
C7I C 0.5644(4) 0.5656(4) -0.1177(2) 0.1037(17) Uani 1 1 d . U . . .
C8I C 0.5764(4) 0.5467(4) -0.1440(3) 0.1056(19) Uani 1 1 d . U . . .
H8I H 0.562185 0.558076 -0.163413 0.127 Uiso 1 1 calc R U . . .
C9I C 0.6097(4) 0.5103(4) -0.1427(2) 0.105(2) Uani 1 1 d . U . . .
H9I H 0.618464 0.498031 -0.160977 0.126 Uiso 1 1 calc R U . . .
C10I C 0.6287(4) 0.4934(4) -0.1151(2) 0.1026(19) Uani 1 1 d . U . . .
H10J H 0.650657 0.468898 -0.114024 0.123 Uiso 1 1 calc R U . . .
C11I C 0.5028(6) 0.6289(6) -0.0817(3) 0.140(2) Uani 1 1 d D U . . .
H11I H 0.488675 0.600637 -0.075619 0.168 Uiso 1 1 calc R U . . .
C12I C 0.5360(7) 0.6425(6) -0.0536(4) 0.155(3) Uani 1 1 d D U . . .
H12Q H 0.571571 0.646011 -0.057697 0.186 Uiso 1 1 calc R U . . .
H12R H 0.535546 0.620590 -0.037261 0.186 Uiso 1 1 calc R U . . .
C13I C 0.5155(7) 0.6850(6) -0.0440(5) 0.167(3) Uani 1 1 d D U . . .
H13P H 0.522118 0.688709 -0.021459 0.200 Uiso 1 1 calc R U . . .
H13Q H 0.530530 0.709781 -0.053895 0.200 Uiso 1 1 calc R U . . .
C14I C 0.4620(7) 0.6808(7) -0.0548(4) 0.164(3) Uani 1 1 d D U . . .
H1AJ H 0.445727 0.709725 -0.056385 0.196 Uiso 1 1 calc R U . . .
H14Q H 0.445619 0.663121 -0.040186 0.196 Uiso 1 1 calc R U . . .
C15I C 0.4554(7) 0.6597(6) -0.0850(4) 0.155(3) Uani 1 1 d D U . . .
H15O H 0.456377 0.681066 -0.101726 0.186 Uiso 1 1 calc R U . . .
H15P H 0.423042 0.643223 -0.088835 0.186 Uiso 1 1 calc R U . . .
C16I C 0.5574(6) 0.6604(6) -0.1334(4) 0.149(2) Uani 1 1 d D U . . .
H16I H 0.542967 0.687184 -0.125237 0.179 Uiso 1 1 calc R U . . .
C17I C 0.5665(7) 0.6710(6) -0.1630(4) 0.167(3) Uani 1 1 d D U . . .
H17Q H 0.534336 0.677943 -0.176599 0.200 Uiso 1 1 calc R U . . .
H17R H 0.584146 0.647152 -0.172280 0.200 Uiso 1 1 calc R U . . .
C18I C 0.6041(7) 0.7150(6) -0.1565(5) 0.176(3) Uani 1 1 d D U . . .
H18S H 0.613934 0.727370 -0.175497 0.211 Uiso 1 1 calc R U . . .
H18T H 0.588964 0.737744 -0.144737 0.211 Uiso 1 1 calc R U . . .
C19I C 0.6457(7) 0.6924(7) -0.1382(5) 0.172(3) Uani 1 1 d D U . . .
H19P H 0.667390 0.712394 -0.124359 0.207 Uiso 1 1 calc R U . . .
H19Q H 0.667143 0.676631 -0.151185 0.207 Uiso 1 1 calc R U . . .
C20I C 0.6152(6) 0.6601(7) -0.1196(5) 0.167(3) Uani 1 1 d D U . . .
H20Q H 0.629134 0.630408 -0.120654 0.201 Uiso 1 1 calc R U . . .
H20R H 0.619235 0.668946 -0.097801 0.201 Uiso 1 1 calc R U . . .
C21I C 0.4494(4) 0.4207(4) -0.1323(2) 0.0953(17) Uani 1 1 d . U . . .
H21I H 0.427441 0.413097 -0.117909 0.114 Uiso 1 1 calc R U . . .
C22I C 0.4967(4) 0.3968(4) -0.1307(2) 0.0993(16) Uani 1 1 d . U . . .
C23I C 0.5287(4) 0.4125(4) -0.1519(2) 0.0993(19) Uani 1 1 d . U . . .
H23I H 0.561527 0.400097 -0.151731 0.119 Uiso 1 1 calc R U . . .
C24I C 0.5133(4) 0.4448(4) -0.1723(3) 0.1027(19) Uani 1 1 d . U . . .
H24J H 0.535338 0.453827 -0.186272 0.123 Uiso 1 1 calc R U . . .
C25I C 0.4660(4) 0.4648(4) -0.1731(2) 0.0989(18) Uani 1 1 d . U . . .
H25K H 0.455467 0.486597 -0.187915 0.119 Uiso 1 1 calc R U . . .
C26I C 0.5937(4) 0.4047(4) -0.0749(2) 0.0960(17) Uani 1 1 d . U . . .
H26O H 0.566370 0.424925 -0.076980 0.115 Uiso 1 1 calc R U . . .
C27I C 0.5827(4) 0.3648(4) -0.0849(2) 0.1015(16) Uani 1 1 d . U . . .
C28I C 0.6240(4) 0.3336(4) -0.0815(3) 0.107(2) Uani 1 1 d . U . . .
H28I H 0.618383 0.304552 -0.088327 0.129 Uiso 1 1 calc R U . . .
C29I C 0.6706(4) 0.3470(4) -0.0684(3) 0.113(2) Uani 1 1 d . U . . .
H29I H 0.698091 0.326916 -0.065979 0.135 Uiso 1 1 calc R U . . .
C30I C 0.6794(4) 0.3897(4) -0.0583(3) 0.108(2) Uani 1 1 d . U . . .
H30I H 0.712644 0.397521 -0.048904 0.129 Uiso 1 1 calc R U . . .
C31I C 0.4725(5) 0.3486(5) -0.0724(3) 0.1183(19) Uani 1 1 d . U . . .
H31I H 0.474321 0.377424 -0.061926 0.142 Uiso 1 1 calc R U . . .
C32I C 0.4916(6) 0.3137(5) -0.0480(4) 0.132(2) Uani 1 1 d . U . . .
H32P H 0.515552 0.326111 -0.030908 0.158 Uiso 1 1 calc R U . . .
H3AA H 0.508195 0.289149 -0.057160 0.158 Uiso 1 1 calc R U . . .
C33I C 0.4400(6) 0.2995(6) -0.0372(4) 0.139(3) Uani 1 1 d . U . . .
H33Q H 0.443548 0.270076 -0.028215 0.167 Uiso 1 1 calc R U . . .
H33R H 0.431263 0.319778 -0.021362 0.167 Uiso 1 1 calc R U . . .
C34I C 0.3976(6) 0.2998(6) -0.0650(4) 0.139(3) Uani 1 1 d . U . . .
H34Q H 0.363760 0.304857 -0.058583 0.166 Uiso 1 1 calc R U . . .
H34R H 0.396739 0.272115 -0.076463 0.166 Uiso 1 1 calc R U . . .
C35I C 0.4135(5) 0.3386(5) -0.0847(4) 0.131(2) Uani 1 1 d . U . . .
H35Q H 0.392212 0.364395 -0.082196 0.157 Uiso 1 1 calc R U . . .
H35R H 0.409012 0.330647 -0.106700 0.157 Uiso 1 1 calc R U . . .
C36I C 0.5166(5) 0.3008(5) -0.1265(3) 0.125(2) Uani 1 1 d . U . . .
H36I H 0.529285 0.277877 -0.111196 0.150 Uiso 1 1 calc R U . . .
C37I C 0.4622(6) 0.2828(5) -0.1431(4) 0.138(3) Uani 1 1 d . U . . .
H37P H 0.443066 0.268189 -0.128302 0.166 Uiso 1 1 calc R U . . .
H37Q H 0.440995 0.306418 -0.153466 0.166 Uiso 1 1 calc R U . . .
C38I C 0.4785(7) 0.2498(6) -0.1669(4) 0.148(3) Uani 1 1 d . U . . .
H38S H 0.480697 0.220280 -0.158028 0.177 Uiso 1 1 calc R U . . .
H3AB H 0.452872 0.249559 -0.185609 0.177 Uiso 1 1 calc R U . . .
C39I C 0.5265(7) 0.2624(6) -0.1743(4) 0.149(3) Uani 1 1 d . U . . .
H39P H 0.522315 0.274424 -0.195368 0.179 Uiso 1 1 calc R U . . .
H39Q H 0.549232 0.236875 -0.173596 0.179 Uiso 1 1 calc R U . . .
C40I C 0.5504(6) 0.2968(6) -0.1515(4) 0.139(3) Uani 1 1 d . U . . .
H40S H 0.585313 0.287865 -0.142465 0.166 Uiso 1 1 calc R U . . .
H4AA H 0.552583 0.324929 -0.161976 0.166 Uiso 1 1 calc R U . . .
C1J C 0.6614(4) 0.5623(4) 0.0009(3) 0.1052(19) Uani 1 1 d . U . . .
H1J H 0.652318 0.540170 0.014120 0.126 Uiso 1 1 calc R U . . .
C2J C 0.6679(5) 0.6069(4) 0.0131(3) 0.1121(17) Uani 1 1 d . U . . .
C3J C 0.6798(5) 0.6370(4) -0.0082(3) 0.113(2) Uani 1 1 d . U . . .
H3J H 0.681728 0.666805 -0.002665 0.135 Uiso 1 1 calc R U . . .
C4J C 0.6888(5) 0.6249(4) -0.0371(3) 0.116(2) Uani 1 1 d . U . . .
H4J H 0.698966 0.646164 -0.050571 0.139 Uiso 1 1 calc R U . . .
C5J C 0.6831(4) 0.5826(4) -0.0466(3) 0.109(2) Uani 1 1 d . U . . .
H5J H 0.690001 0.574579 -0.066386 0.131 Uiso 1 1 calc R U . . .
C6J C 0.6656(4) 0.5475(4) 0.0991(2) 0.1017(19) Uani 1 1 d . U . . .
H6J H 0.631850 0.555807 0.101398 0.122 Uiso 1 1 calc R U . . .
C7J C 0.6901(5) 0.5711(4) 0.0774(3) 0.1069(17) Uani 1 1 d . U . . .
C8J C 0.7392(5) 0.5561(4) 0.0741(3) 0.111(2) Uani 1 1 d . U . . .
H8J H 0.756280 0.568719 0.058797 0.133 Uiso 1 1 calc R U . . .
C9J C 0.7637(5) 0.5239(4) 0.0922(3) 0.108(2) Uani 1 1 d . U . . .
H9J H 0.797771 0.515808 0.090638 0.130 Uiso 1 1 calc R U . . .
C10J C 0.7365(4) 0.5036(4) 0.1130(3) 0.1032(19) Uani 1 1 d . U . . .
H10K H 0.752887 0.481010 0.125386 0.124 Uiso 1 1 calc R U . . .
C11J C 0.5878(7) 0.6208(5) 0.0567(4) 0.145(2) Uani 1 1 d D U . . .
H11J H 0.571051 0.592646 0.050141 0.174 Uiso 1 1 calc R U . . .
C12J C 0.5713(8) 0.6352(6) 0.0874(4) 0.163(3) Uani 1 1 d D U . . .
H12S H 0.601664 0.643512 0.102108 0.196 Uiso 1 1 calc R U . . .
H12T H 0.553935 0.610963 0.096416 0.196 Uiso 1 1 calc R U . . .
C13J C 0.5344(8) 0.6745(7) 0.0811(5) 0.176(3) Uani 1 1 d D U . . .
H13R H 0.552947 0.702527 0.082925 0.211 Uiso 1 1 calc R U . . .
H13S H 0.507941 0.674588 0.094830 0.211 Uiso 1 1 calc R U . . .
C14J C 0.5112(7) 0.6638(7) 0.0464(5) 0.175(3) Uani 1 1 d D U . . .
H1AQ H 0.490988 0.636721 0.044496 0.210 Uiso 1 1 calc R U . . .
H14S H 0.490945 0.688040 0.036238 0.210 Uiso 1 1 calc R U . . .
C15J C 0.5613(7) 0.6589(6) 0.0358(4) 0.163(3) Uani 1 1 d D U . . .
H15Q H 0.581399 0.686031 0.038958 0.196 Uiso 1 1 calc R U . . .
H15R H 0.557228 0.650957 0.013846 0.196 Uiso 1 1 calc R U . . .
C16J C 0.6930(7) 0.6690(5) 0.0663(4) 0.138(2) Uani 1 1 d . U . . .
H16J H 0.678325 0.692137 0.051716 0.165 Uiso 1 1 calc R U . . .
C17J C 0.7490(7) 0.6720(5) 0.0683(4) 0.147(3) Uani 1 1 d . U . . .
H17S H 0.758104 0.672765 0.047264 0.176 Uiso 1 1 calc R U . . .
H17T H 0.764664 0.645837 0.078629 0.176 Uiso 1 1 calc R U . . .
C18J C 0.7710(8) 0.7126(6) 0.0859(4) 0.158(3) Uani 1 1 d . U . . .
H18U H 0.802523 0.706005 0.100124 0.190 Uiso 1 1 calc R U . . .
H1AR H 0.777577 0.736397 0.071914 0.190 Uiso 1 1 calc R U . . .
C19J C 0.7287(8) 0.7219(6) 0.1019(4) 0.161(3) Uani 1 1 d . U . . .
H19R H 0.712124 0.748999 0.093524 0.193 Uiso 1 1 calc R U . . .
H19S H 0.741802 0.727024 0.123797 0.193 Uiso 1 1 calc R U . . .
C20J C 0.6888(8) 0.6864(5) 0.0997(4) 0.151(3) Uani 1 1 d . U . . .
H20S H 0.654397 0.698000 0.101260 0.182 Uiso 1 1 calc R U . . .
H20T H 0.697652 0.663719 0.115538 0.182 Uiso 1 1 calc R U . . .
C21J C 0.6751(4) 0.4225(4) 0.0104(2) 0.0979(19) Uani 1 1 d . U . . .
H21J H 0.643605 0.411160 0.000583 0.117 Uiso 1 1 calc R U . . .
C22J C 0.6997(5) 0.4012(4) 0.0373(3) 0.1047(17) Uani 1 1 d . U . . .
C23J C 0.7489(5) 0.4177(4) 0.0488(3) 0.110(2) Uani 1 1 d . U . . .
H23J H 0.768270 0.404868 0.066300 0.132 Uiso 1 1 calc R U . . .
C24J C 0.7678(5) 0.4508(4) 0.0350(3) 0.110(2) Uani 1 1 d . U . . .
H24K H 0.800866 0.461030 0.043041 0.132 Uiso 1 1 calc R U . . .
C25J C 0.7417(4) 0.4716(4) 0.0092(3) 0.108(2) Uani 1 1 d . U . . .
H25F H 0.757246 0.494855 -0.000109 0.129 Uiso 1 1 calc R U . . .
C26J C 0.6665(5) 0.4050(4) 0.1063(3) 0.1051(19) Uani 1 1 d . U . . .
H26P H 0.654304 0.425197 0.090741 0.126 Uiso 1 1 calc R U . . .
C27J C 0.6782(5) 0.3649(4) 0.0970(3) 0.1127(18) Uani 1 1 d . U . . .
C28J C 0.6966(5) 0.3351(4) 0.1192(3) 0.116(2) Uani 1 1 d . U . . .
H28J H 0.707189 0.307225 0.113474 0.139 Uiso 1 1 calc R U . . .
C29J C 0.6995(5) 0.3463(4) 0.1510(3) 0.115(2) Uani 1 1 d . U . . .
H29J H 0.710901 0.326130 0.166723 0.138 Uiso 1 1 calc R U . . .
C30J C 0.6852(5) 0.3873(4) 0.1575(3) 0.114(2) Uani 1 1 d . U . . .
H30J H 0.685390 0.394782 0.178475 0.137 Uiso 1 1 calc R U . . .
C31J C 0.6038(6) 0.3402(5) 0.0368(4) 0.141(2) Uani 1 1 d D U . . .
H31J H 0.603589 0.329391 0.015391 0.169 Uiso 1 1 calc R U . . .
C32J C 0.5808(6) 0.3045(6) 0.0551(4) 0.155(3) Uani 1 1 d D U . . .
H3AD H 0.591141 0.275426 0.048747 0.187 Uiso 1 1 calc R U . . .
H32S H 0.592085 0.308034 0.077360 0.187 Uiso 1 1 calc R U . . .
C33J C 0.5242(6) 0.3102(6) 0.0477(5) 0.158(3) Uani 1 1 d D U . . .
H33S H 0.507804 0.302045 0.065656 0.190 Uiso 1 1 calc R U . . .
H33T H 0.510706 0.290903 0.030400 0.190 Uiso 1 1 calc R U . . .
C34J C 0.5113(6) 0.3585(6) 0.0387(5) 0.160(3) Uani 1 1 d D U . . .
H34S H 0.487921 0.360728 0.019104 0.191 Uiso 1 1 calc R U . . .
H34T H 0.496391 0.373959 0.055013 0.191 Uiso 1 1 calc R U . . .
C35J C 0.5657(6) 0.3752(6) 0.0357(5) 0.153(3) Uani 1 1 d D U . . .
H35S H 0.564509 0.391014 0.016110 0.183 Uiso 1 1 calc R U . . .
H35T H 0.576622 0.395888 0.052575 0.183 Uiso 1 1 calc R U . . .
C36J C 0.7103(6) 0.3024(5) 0.0467(3) 0.140(2) Uani 1 1 d D U . . .
H36J H 0.692234 0.278303 0.055893 0.168 Uiso 1 1 calc R U . . .
C37J C 0.7047(7) 0.2914(6) 0.0125(4) 0.154(3) Uani 1 1 d D U . . .
H37R H 0.704156 0.318358 0.000253 0.185 Uiso 1 1 calc R U . . .
H37S H 0.672294 0.275678 0.006176 0.185 Uiso 1 1 calc R U . . .
C38J C 0.7522(7) 0.2616(6) 0.0066(4) 0.165(3) Uani 1 1 d D U . . .
H3AE H 0.741227 0.231528 0.001302 0.198 Uiso 1 1 calc R U . . .
H38V H 0.769545 0.273615 -0.010008 0.198 Uiso 1 1 calc R U . . .
C39J C 0.7854(8) 0.2634(6) 0.0364(4) 0.164(3) Uani 1 1 d D U . . .
H39R H 0.820136 0.272220 0.033049 0.197 Uiso 1 1 calc R U . . .
H39S H 0.787798 0.234117 0.045633 0.197 Uiso 1 1 calc R U . . .
C40J C 0.7657(7) 0.2957(6) 0.0591(4) 0.155(3) Uani 1 1 d D U . . .
H4AF H 0.769561 0.283296 0.080065 0.186 Uiso 1 1 calc R U . . .
H40V H 0.784656 0.323405 0.059766 0.186 Uiso 1 1 calc R U . . .
C1K C 0.5821(4) 0.5524(4) 0.1754(2) 0.0963(17) Uani 1 1 d . U . . .
H1K H 0.559790 0.528165 0.174912 0.116 Uiso 1 1 calc R U . . .
C2K C 0.5638(4) 0.5910(4) 0.1849(3) 0.1034(17) Uani 1 1 d . U . . .
C3K C 0.5982(4) 0.6285(4) 0.1847(3) 0.109(2) Uani 1 1 d . U . . .
H3K H 0.587845 0.656932 0.189215 0.131 Uiso 1 1 calc R U . . .
C4K C 0.6467(5) 0.6200(4) 0.1776(3) 0.113(2) Uani 1 1 d . U . . .
H4K H 0.670777 0.642951 0.178304 0.135 Uiso 1 1 calc R U . . .
C5K C 0.6605(5) 0.5787(4) 0.1693(3) 0.109(2) Uani 1 1 d . U . . .
H5K H 0.694306 0.573741 0.165249 0.131 Uiso 1 1 calc R U . . .
C6K C 0.4478(4) 0.5310(4) 0.2281(2) 0.0993(18) Uani 1 1 d . U . . .
H6K H 0.418718 0.542119 0.215326 0.119 Uiso 1 1 calc R U . . .
C7K C 0.4943(4) 0.5504(4) 0.2256(3) 0.0996(16) Uani 1 1 d . U . . .
C8K C 0.5360(4) 0.5349(4) 0.2454(3) 0.104(2) Uani 1 1 d . U . . .
H8K H 0.568903 0.546753 0.244553 0.125 Uiso 1 1 calc R U . . .
C9K C 0.5306(4) 0.5037(4) 0.2656(3) 0.103(2) Uani 1 1 d . U . . .
H9K H 0.559221 0.495075 0.279833 0.123 Uiso 1 1 calc R U . . .
C10K C 0.4815(4) 0.4825(4) 0.2663(2) 0.1011(19) Uani 1 1 d . U . . .
H10L H 0.478429 0.459011 0.279854 0.121 Uiso 1 1 calc R U . . .
C11K C 0.4444(5) 0.5942(5) 0.1636(3) 0.120(2) Uani 1 1 d . U . . .
H11K H 0.410728 0.596545 0.171224 0.144 Uiso 1 1 calc R U . . .
C12K C 0.4457(6) 0.5503(5) 0.1436(3) 0.134(2) Uani 1 1 d . U . . .
H12U H 0.480736 0.543629 0.139580 0.160 Uiso 1 1 calc R U . . .
H12V H 0.432080 0.525263 0.153794 0.160 Uiso 1 1 calc R U . . .
C13K C 0.4114(6) 0.5624(6) 0.1144(4) 0.141(3) Uani 1 1 d . U . . .
H13T H 0.375181 0.556763 0.116274 0.170 Uiso 1 1 calc R U . . .
H13U H 0.420481 0.545888 0.096702 0.170 Uiso 1 1 calc R U . . .
C14K C 0.4210(6) 0.6123(6) 0.1105(4) 0.143(3) Uani 1 1 d . U . . .
H1AZ H 0.441171 0.616841 0.093511 0.172 Uiso 1 1 calc R U . . .
H1AY H 0.387913 0.627417 0.105179 0.172 Uiso 1 1 calc R U . . .
C15K C 0.4479(6) 0.6298(5) 0.1384(3) 0.131(2) Uani 1 1 d . U . . .
H15S H 0.431842 0.657162 0.143796 0.158 Uiso 1 1 calc R U . . .
H1AX H 0.483894 0.635650 0.136149 0.158 Uiso 1 1 calc R U . . .
C16K C 0.4926(5) 0.6509(4) 0.2184(3) 0.1204(19) Uani 1 1 d D U . . .
H16K H 0.490700 0.675023 0.203180 0.144 Uiso 1 1 calc R U . . .
C17K C 0.5368(6) 0.6599(5) 0.2447(3) 0.136(2) Uani 1 1 d D U . . .
H17U H 0.555633 0.632874 0.250885 0.164 Uiso 1 1 calc R U . . .
H17V H 0.560864 0.681305 0.238102 0.164 Uiso 1 1 calc R U . . .
C18K C 0.5115(7) 0.6779(6) 0.2712(4) 0.151(3) Uani 1 1 d D U . . .
H18W H 0.533578 0.673390 0.291070 0.181 Uiso 1 1 calc R U . . .
H18X H 0.504449 0.709298 0.268438 0.181 Uiso 1 1 calc R U . . .
C19K C 0.4641(6) 0.6535(6) 0.2700(4) 0.149(3) Uani 1 1 d D U . . .
H19T H 0.439389 0.668815 0.281091 0.179 Uiso 1 1 calc R U . . .
H19U H 0.470352 0.624134 0.278801 0.179 Uiso 1 1 calc R U . . .
C20K C 0.4447(6) 0.6516(5) 0.2342(3) 0.133(2) Uani 1 1 d D U . . .
H20U H 0.424032 0.625190 0.228999 0.160 Uiso 1 1 calc R U . . .
H20V H 0.423560 0.677302 0.227605 0.160 Uiso 1 1 calc R U . . .
C21K C 0.5636(4) 0.4254(3) 0.1709(2) 0.0965(18) Uani 1 1 d . U . . .
H21K H 0.552632 0.423863 0.149442 0.116 Uiso 1 1 calc R U . . .
C22K C 0.5379(4) 0.4021(4) 0.1895(2) 0.0990(16) Uani 1 1 d . U . . .
C23K C 0.5541(4) 0.4044(4) 0.2218(2) 0.1023(19) Uani 1 1 d . U . . .
H23K H 0.536699 0.388759 0.235695 0.123 Uiso 1 1 calc R U . . .
C24K C 0.5954(4) 0.4298(4) 0.2324(3) 0.104(2) Uani 1 1 d . U . . .
H24L H 0.607260 0.432000 0.253697 0.125 Uiso 1 1 calc R U . . .
C25K C 0.6189(4) 0.4518(4) 0.2118(2) 0.0981(18) Uani 1 1 d . U . . .
H25N H 0.647811 0.468893 0.219422 0.118 Uiso 1 1 calc R U . . .
C26K C 0.4181(4) 0.4035(4) 0.2140(2) 0.1006(18) Uani 1 1 d . U . . .
H26Q H 0.426095 0.429047 0.203583 0.121 Uiso 1 1 calc R U . . .
C27K C 0.4373(4) 0.3641(4) 0.2046(3) 0.1018(16) Uani 1 1 d . U . . .
C28K C 0.4248(4) 0.3268(4) 0.2191(3) 0.109(2) Uani 1 1 d . U . . .
H28K H 0.436727 0.299455 0.213307 0.130 Uiso 1 1 calc R U . . .
C29K C 0.3935(5) 0.3300(4) 0.2432(3) 0.113(2) Uani 1 1 d . U . . .
H29K H 0.383142 0.304638 0.252843 0.135 Uiso 1 1 calc R U . . .
C30K C 0.3787(5) 0.3713(4) 0.2521(3) 0.110(2) Uani 1 1 d . U . . .
H30K H 0.360964 0.373884 0.269245 0.132 Uiso 1 1 calc R U . . .
C31K C 0.4472(5) 0.3867(4) 0.1361(3) 0.121(2) Uani 1 1 d . U . . .
H31K H 0.472835 0.384565 0.121531 0.145 Uiso 1 1 calc R U . . .
C32K C 0.4287(6) 0.4321(5) 0.1335(3) 0.129(2) Uani 1 1 d . U . . .
H32T H 0.457110 0.452713 0.132788 0.155 Uiso 1 1 calc R U . . .
H32U H 0.410169 0.439835 0.150651 0.155 Uiso 1 1 calc R U . . .
C33K C 0.3913(6) 0.4310(5) 0.1016(4) 0.139(3) Uani 1 1 d . U . . .
H33U H 0.362494 0.451274 0.102106 0.167 Uiso 1 1 calc R U . . .
H33V H 0.409845 0.439367 0.084537 0.167 Uiso 1 1 calc R U . . .
C34K C 0.3729(7) 0.3865(6) 0.0978(4) 0.146(3) Uani 1 1 d . U . . .
H34U H 0.335999 0.385617 0.099217 0.175 Uiso 1 1 calc R U . . .
H34V H 0.377809 0.375774 0.077210 0.175 Uiso 1 1 calc R U . . .
C35K C 0.3998(6) 0.3593(5) 0.1207(4) 0.136(3) Uani 1 1 d . U . . .
H35U H 0.411201 0.332458 0.111422 0.163 Uiso 1 1 calc R U . . .
H35V H 0.377689 0.351270 0.136128 0.163 Uiso 1 1 calc R U . . .
C36K C 0.5057(6) 0.3076(5) 0.1698(3) 0.123(2) Uani 1 1 d . U . . .
H36K H 0.476511 0.286744 0.166906 0.148 Uiso 1 1 calc R U . . .
C37K C 0.5354(6) 0.3053(5) 0.1415(4) 0.133(2) Uani 1 1 d . U . . .
H37T H 0.512370 0.296118 0.122915 0.160 Uiso 1 1 calc R U . . .
H37U H 0.550113 0.333877 0.137638 0.160 Uiso 1 1 calc R U . . .
C38K C 0.5765(7) 0.2727(6) 0.1497(4) 0.145(3) Uani 1 1 d . U . . .
H38W H 0.565791 0.244015 0.141029 0.174 Uiso 1 1 calc R U . . .
H38X H 0.607987 0.281661 0.141775 0.174 Uiso 1 1 calc R U . . .
C39K C 0.5854(7) 0.2708(6) 0.1836(4) 0.148(3) Uani 1 1 d . U . . .
H39T H 0.586898 0.240165 0.190429 0.178 Uiso 1 1 calc R U . . .
H39U H 0.618372 0.284683 0.191452 0.178 Uiso 1 1 calc R U . . .
C40K C 0.5446(6) 0.2928(5) 0.1959(4) 0.138(3) Uani 1 1 d . U . . .
H40W H 0.558414 0.318098 0.208251 0.165 Uiso 1 1 calc R U . . .
H40X H 0.528616 0.272949 0.209336 0.165 Uiso 1 1 calc R U . . .
C1L C 0.3036(4) 0.5555(4) 0.2492(2) 0.0997(18) Uani 1 1 d . U . . .
H1L H 0.281801 0.540307 0.233703 0.120 Uiso 1 1 calc R U . . .
C2L C 0.2915(4) 0.6009(4) 0.2566(2) 0.1014(17) Uani 1 1 d . U . . .
C3L C 0.3234(4) 0.6215(4) 0.2791(3) 0.106(2) Uani 1 1 d . U . . .
H3L H 0.316911 0.650538 0.284548 0.128 Uiso 1 1 calc R U . . .
C4L C 0.3664(4) 0.5986(4) 0.2942(3) 0.106(2) Uani 1 1 d . U . . .
H4L H 0.389079 0.612414 0.309933 0.127 Uiso 1 1 calc R U . . .
C5L C 0.3749(5) 0.5576(4) 0.2862(3) 0.109(2) Uani 1 1 d . U . . .
H5L H 0.403899 0.543198 0.296843 0.130 Uiso 1 1 calc R U . . .
C6L C 0.1576(4) 0.5690(3) 0.2001(2) 0.0942(18) Uani 1 1 d . U . . .
H6L H 0.169163 0.581594 0.182702 0.113 Uiso 1 1 calc R U . . .
C7L C 0.1829(4) 0.5815(3) 0.2291(2) 0.0969(16) Uani 1 1 d . U . . .
C8L C 0.1660(4) 0.5606(3) 0.2546(2) 0.0962(18) Uani 1 1 d . U . . .
H8L H 0.181754 0.567160 0.274849 0.115 Uiso 1 1 calc R U . . .
C9L C 0.1264(4) 0.5305(4) 0.2499(2) 0.0993(19) Uani 1 1 d . U . . .
H9L H 0.114628 0.516586 0.266747 0.119 Uiso 1 1 calc R U . . .
C10L C 0.1048(4) 0.5212(4) 0.2204(2) 0.1004(19) Uani 1 1 d . U . . .
H10M H 0.078791 0.499808 0.217421 0.121 Uiso 1 1 calc R U . . .
C11L C 0.2439(6) 0.6476(4) 0.1964(3) 0.124(2) Uani 1 1 d . U . . .
H11L H 0.210646 0.659449 0.186121 0.149 Uiso 1 1 calc R U . . .
C12L C 0.2628(6) 0.6159(5) 0.1743(3) 0.133(2) Uani 1 1 d D U . . .
H12W H 0.272046 0.588027 0.184803 0.160 Uiso 1 1 calc R U . . .
H12$ H 0.235659 0.610341 0.156820 0.160 Uiso 1 1 calc R U . . .
C13L C 0.3067(6) 0.6346(6) 0.1636(4) 0.150(3) Uani 1 1 d D U . . .
H13Z H 0.304919 0.630231 0.141204 0.180 Uiso 1 1 calc R U . . .
H13V H 0.338363 0.620991 0.174019 0.180 Uiso 1 1 calc R U . . .
C14L C 0.3060(7) 0.6829(6) 0.1711(4) 0.146(3) Uani 1 1 d . U . . .
H1BA H 0.341092 0.694833 0.174266 0.176 Uiso 1 1 calc R U . . .
H1BB H 0.285384 0.699121 0.154321 0.176 Uiso 1 1 calc R U . . .
C15L C 0.2831(6) 0.6856(5) 0.1994(4) 0.139(3) Uani 1 1 d . U . . .
H1BC H 0.265890 0.713837 0.200880 0.166 Uiso 1 1 calc R U . . .
H15U H 0.309268 0.681809 0.217675 0.166 Uiso 1 1 calc R U . . .
C16L C 0.2108(5) 0.6737(4) 0.2584(3) 0.1202(19) Uani 1 1 d . U . . .
H16L H 0.236358 0.697660 0.258546 0.144 Uiso 1 1 calc R U . . .
C17L C 0.2065(6) 0.6630(5) 0.2916(3) 0.132(2) Uani 1 1 d . U . . .
H17W H 0.227578 0.682904 0.305768 0.159 Uiso 1 1 calc R U . . .
H17X H 0.217427 0.632785 0.296526 0.159 Uiso 1 1 calc R U . . .
C18L C 0.1481(7) 0.6690(6) 0.2938(4) 0.146(3) Uani 1 1 d . U . . .
H18Y H 0.128998 0.641890 0.288326 0.175 Uiso 1 1 calc R U . . .
H18Z H 0.143083 0.677746 0.314798 0.175 Uiso 1 1 calc R U . . .
C19L C 0.1315(7) 0.7038(6) 0.2714(4) 0.148(3) Uani 1 1 d . U . . .
H1BD H 0.094147 0.703264 0.265017 0.177 Uiso 1 1 calc R U . . .
H19W H 0.141783 0.732786 0.279827 0.177 Uiso 1 1 calc R U . . .
C20L C 0.1593(6) 0.6920(5) 0.2460(4) 0.135(3) Uani 1 1 d . U . . .
H20W H 0.163555 0.717950 0.233362 0.162 Uiso 1 1 calc R U . . .
H20X H 0.139508 0.670186 0.232708 0.162 Uiso 1 1 calc R U . . .
C21L C 0.2665(4) 0.4190(3) 0.2305(2) 0.0903(16) Uani 1 1 d . U . . .
H21L H 0.286412 0.407757 0.216078 0.108 Uiso 1 1 calc R U . . .
C22L C 0.2156(4) 0.4051(3) 0.2293(2) 0.0933(15) Uani 1 1 d . U . . .
C23L C 0.1883(4) 0.4208(3) 0.2519(2) 0.0959(18) Uani 1 1 d . U . . .
H23L H 0.154113 0.411719 0.252031 0.115 Uiso 1 1 calc R U . . .
C24L C 0.2099(4) 0.4486(4) 0.2735(2) 0.0986(18) Uani 1 1 d . U . . .
H24M H 0.191048 0.458693 0.288837 0.118 Uiso 1 1 calc R U . . .
C25L C 0.2592(4) 0.4623(4) 0.2732(2) 0.0960(18) Uani 1 1 d . U . . .
H25O H 0.273590 0.482278 0.288508 0.115 Uiso 1 1 calc R U . . .
C26L C 0.1203(4) 0.4360(3) 0.1733(2) 0.0910(16) Uani 1 1 d . U . . .
H26R H 0.151058 0.452159 0.176997 0.109 Uiso 1 1 calc R U . . .
C27L C 0.1233(4) 0.3915(3) 0.1809(2) 0.0944(15) Uani 1 1 d . U . . .
C28L C 0.0770(4) 0.3696(4) 0.1738(3) 0.1010(18) Uani 1 1 d . U . . .
H28L H 0.076121 0.339448 0.177992 0.121 Uiso 1 1 calc R U . . .
C29L C 0.0318(4) 0.3900(4) 0.1609(3) 0.1035(19) Uani 1 1 d . U . . .
H29L H 0.001124 0.374022 0.156035 0.124 Uiso 1 1 calc R U . . .
C30L C 0.0331(4) 0.4346(3) 0.1554(2) 0.0979(18) Uani 1 1 d . U . . .
H30L H 0.002477 0.449245 0.147444 0.117 Uiso 1 1 calc R U . . .
C31L C 0.2270(5) 0.3575(4) 0.1673(3) 0.1190(19) Uani 1 1 d . U . . .
H31L H 0.232976 0.386576 0.158364 0.143 Uiso 1 1 calc R U . . .
C32L C 0.1974(6) 0.3270(5) 0.1403(4) 0.136(3) Uani 1 1 d . U . . .
H32V H 0.173858 0.306367 0.148216 0.163 Uiso 1 1 calc R U . . .
H32W H 0.178517 0.344345 0.123404 0.163 Uiso 1 1 calc R U . . .
C33L C 0.2450(7) 0.3037(6) 0.1303(4) 0.148(3) Uani 1 1 d . U . . .
H33W H 0.234041 0.276041 0.119988 0.177 Uiso 1 1 calc R U . . .
H33X H 0.259670 0.322164 0.115420 0.177 Uiso 1 1 calc R U . . .
C34L C 0.2821(7) 0.2954(6) 0.1553(4) 0.146(3) Uani 1 1 d . U . . .
H34W H 0.316096 0.293147 0.148657 0.175 Uiso 1 1 calc R U . . .
H34X H 0.274711 0.267690 0.165219 0.175 Uiso 1 1 calc R U . . .
C35L C 0.2811(6) 0.3364(5) 0.1800(4) 0.132(3) Uani 1 1 d . U . . .
H35W H 0.282428 0.326046 0.201347 0.159 Uiso 1 1 calc R U . . .
H35X H 0.309478 0.357014 0.178852 0.159 Uiso 1 1 calc R U . . .
C36L C 0.1674(5) 0.3109(4) 0.2163(3) 0.121(2) Uani 1 1 d D U . . .
H36L H 0.151725 0.291876 0.199145 0.145 Uiso 1 1 calc R U . . .
C37L C 0.2139(6) 0.2864(5) 0.2338(4) 0.139(3) Uani 1 1 d D U . . .
H37V H 0.239817 0.307117 0.243633 0.167 Uiso 1 1 calc R U . . .
H37W H 0.229896 0.267665 0.219603 0.167 Uiso 1 1 calc R U . . .
C38L C 0.1922(7) 0.2583(6) 0.2586(4) 0.153(3) Uani 1 1 d D U . . .
H38Y H 0.191389 0.227293 0.252820 0.184 Uiso 1 1 calc R U . . .
H38Z H 0.213698 0.261588 0.278841 0.184 Uiso 1 1 calc R U . . .
C39L C 0.1390(7) 0.2747(5) 0.2600(4) 0.152(3) Uani 1 1 d D U . . .
H39V H 0.113891 0.251761 0.252938 0.183 Uiso 1 1 calc R U . . .
H39W H 0.135338 0.282098 0.281469 0.183 Uiso 1 1 calc R U . . .
C40L C 0.1288(6) 0.3136(5) 0.2403(4) 0.138(3) Uani 1 1 d D U . . .
H40Y H 0.104206 0.335613 0.241865 0.166 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0047 0.0022 '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 0.0089 0.0045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0150 0.0081 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1798 0.2039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3440 1.2116 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.1026 0.0917 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1A Co1A N2F 87.2(4) . . ?
N1A Co1A N1 92.5(4) . . ?
N2F Co1A N1 90.8(4) . . ?
N1A Co1A N4F 176.2(4) . . ?
N2F Co1A N4F 89.4(3) . . ?
N1 Co1A N4F 89.2(4) . . ?
N1A Co1A N2 89.9(4) . . ?
N2F Co1A N2 94.2(4) . . ?
N1 Co1A N2 174.5(4) . . ?
N4F Co1A N2 88.7(3) . . ?
N1A Co1A N3A 90.5(4) . . ?
N2F Co1A N3A 177.0(4) . . ?
N1 Co1A N3A 87.4(4) . . ?
N4F Co1A N3A 93.0(3) . . ?
N2 Co1A N3A 87.6(4) . . ?
O2A Cl1A O1A 130.1(7) . . ?
O2A Cl1A O4A 115.7(7) . . ?
O1A Cl1A O4A 112.7(6) . . ?
O2A Cl1A O3A 86.8(10) . . ?
O1A Cl1A O3A 91.2(8) . . ?
O4A Cl1A O3A 106.1(8) . . ?
O3B Cl1B O4B 111.9(6) . . ?
O3B Cl1B O2B 107.5(7) . . ?
O4B Cl1B O2B 110.0(5) . . ?
O3B Cl1B O1B 110.9(5) . . ?
O4B Cl1B O1B 108.9(4) . . ?
O2B Cl1B O1B 107.6(5) . . ?
C27A Si2A C22A 108.2(6) . . ?
C27A Si2A C36A 109.0(7) . . ?
C22A Si2A C36A 108.6(6) . . ?
C27A Si2A C31A 109.9(7) . . ?
C22A Si2A C31A 107.1(6) . . ?
C36A Si2A C31A 113.8(8) . . ?
C22C Si2C C31C 106.1(6) . . ?
C22C Si2C C36C 111.2(5) . . ?
C31C Si2C C36C 111.8(7) . . ?
C22C Si2C C27C 104.5(5) . . ?
C31C Si2C C27C 110.3(5) . . ?
C36C Si2C C27C 112.6(5) . . ?
Cl3A O9A Co5A 138.2(6) . . ?
N58 C11 C384 144(2) . . ?
C31E Si2E C22E 107.6(7) . . ?
C31E Si2E C27E 110.7(6) . . ?
C22E Si2E C27E 109.9(6) . . ?
C31E Si2E C36E 109.9(7) . . ?
C22E Si2E C36E 109.7(6) . . ?
C27E Si2E C36E 109.0(7) . . ?
C11F Si1F C7F 109.6(5) . . ?
C11F Si1F C2F 111.7(5) . . ?
C7F Si1F C2F 105.8(5) . . ?
C11F Si1F C16F 111.7(7) . . ?
C7F Si1F C16F 107.2(6) . . ?
C2F Si1F C16F 110.6(6) . . ?
C31F Si2F C22F 107.4(7) . . ?
C31F Si2F C27F 111.7(6) . . ?
C22F Si2F C27F 104.4(5) . . ?
C31F Si2F C36F 113.5(8) . . ?
C22F Si2F C36F 109.9(6) . . ?
C27F Si2F C36F 109.6(7) . . ?
N2J Co5B N61 90.2(4) . . ?
N2J Co5B N1K 90.7(3) . . ?
N61 Co5B N1K 89.5(4) . . ?
N2J Co5B N3K 175.0(3) . . ?
N61 Co5B N3K 94.8(3) . . ?
N1K Co5B N3K 89.4(3) . . ?
N2J Co5B N4J 92.4(3) . . ?
N61 Co5B N4J 88.6(4) . . ?
N1K Co5B N4J 176.4(3) . . ?
N3K Co5B N4J 87.7(3) . . ?
N2J Co5B O9B 88.8(3) . . ?
N61 Co5B O9B 173.7(4) . . ?
N1K Co5B O9B 84.2(4) . . ?
N3K Co5B O9B 86.2(3) . . ?
N4J Co5B O9B 97.7(4) . . ?
O18 Cl5 O17 102.1(14) . . ?
O18 Cl5 O19 93.2(12) . . ?
O17 Cl5 O19 130.3(13) . . ?
O18 Cl5 O20 115.0(11) . . ?
O17 Cl5 O20 108.0(11) . . ?
O19 Cl5 O20 107.5(12) . . ?
O53 Co2A N4A 87.4(4) . . ?
O53 Co2A N1B 93.9(3) . . ?
N4A Co2A N1B 176.4(3) . . ?
O53 Co2A N2A 92.3(4) . . ?
N4A Co2A N2A 89.9(3) . . ?
N1B Co2A N2A 86.7(3) . . ?
O53 Co2A N3B 88.7(4) . . ?
N4A Co2A N3B 93.5(3) . . ?
N1B Co2A N3B 89.9(3) . . ?
N2A Co2A N3B 176.5(3) . . ?
O53 Co2A O1A 176.1(4) . . ?
N4A Co2A O1A 92.8(4) . . ?
N1B Co2A O1A 86.2(3) . . ?
N2A Co2A O1A 91.6(4) . . ?
N3B Co2A O1A 87.4(4) . . ?
N3I Co3B N58 90.6(4) . . ?
N3I Co3B N1I 92.4(3) . . ?
N58 Co3B N1I 91.1(4) . . ?
N3I Co3B N4H 92.3(3) . . ?
N58 Co3B N4H 91.9(4) . . ?
N1I Co3B N4H 174.5(3) . . ?
N3I Co3B N2H 176.8(3) . . ?
N58 Co3B N2H 92.0(4) . . ?
N1I Co3B N2H 85.8(3) . . ?
N4H Co3B N2H 89.5(3) . . ?
N3I Co3B O5B 91.8(3) . . ?
N58 Co3B O5B 177.5(4) . . ?
N1I Co3B O5B 88.2(3) . . ?
N4H Co3B O5B 88.6(3) . . ?
N2H Co3B O5B 85.5(3) . . ?
O12A Cl3A O10A 110.6(6) . . ?
O12A Cl3A O9A 109.6(5) . . ?
O10A Cl3A O9A 110.0(7) . . ?
O12A Cl3A O11A 109.8(6) . . ?
O10A Cl3A O11A 109.5(7) . . ?
O9A Cl3A O11A 107.3(6) . . ?
O11B Cl3B O12B 122.6(7) . . ?
O11B Cl3B O10B 79.5(9) . . ?
O12B Cl3B O10B 109.8(8) . . ?
O11B Cl3B O9B 120.2(7) . . ?
O12B Cl3B O9B 110.1(5) . . ?
O10B Cl3B O9B 108.6(7) . . ?
O82 Co3A N3C 90.7(3) . . ?
O82 Co3A N4B 94.4(3) . . ?
N3C Co3A N4B 87.3(3) . . ?
O82 Co3A N1C 90.6(3) . . ?
N3C Co3A N1C 92.0(3) . . ?
N4B Co3A N1C 174.9(3) . . ?
O82 Co3A N2B 91.7(3) . . ?
N3C Co3A N2B 175.2(3) . . ?
N4B Co3A N2B 88.4(3) . . ?
N1C Co3A N2B 92.2(3) . . ?
O82 Co3A O5A 179.2(3) . . ?
N3C Co3A O5A 90.1(3) . . ?
N4B Co3A O5A 85.7(3) . . ?
N1C Co3A O5A 89.4(3) . . ?
N2B Co3A O5A 87.5(3) . . ?
N1H Co2B O81 87.3(3) . . ?
N1H Co2B N3H 91.5(3) . . ?
O81 Co2B N3H 93.7(3) . . ?
N1H Co2B N4G 175.7(3) . . ?
O81 Co2B N4G 89.3(3) . . ?
N3H Co2B N4G 86.1(3) . . ?
N1H Co2B N2G 90.4(3) . . ?
O81 Co2B N2G 92.1(3) . . ?
N3H Co2B N2G 174.0(3) . . ?
N4G Co2B N2G 92.4(3) . . ?
N1H Co2B O1B 84.0(3) . . ?
O81 Co2B O1B 171.3(3) . . ?
N3H Co2B O1B 87.2(3) . . ?
N4G Co2B O1B 99.4(3) . . ?
N2G Co2B O1B 87.3(3) . . ?
O8 Cl2 O5 102.9(10) . . ?
O8 Cl2 O7 119.8(12) . . ?
O5 Cl2 O7 101.2(11) . . ?
O8 Cl2 O6 108.0(11) . . ?
O5 Cl2 O6 94.4(11) . . ?
O7 Cl2 O6 124.0(12) . . ?
O7A Cl2A O6A 112.9(6) . . ?
O7A Cl2A O8A 111.2(6) . . ?
O6A Cl2A O8A 105.6(6) . . ?
O7A Cl2A O5A 110.9(5) . . ?
O6A Cl2A O5A 110.3(4) . . ?
O8A Cl2A O5A 105.5(5) . . ?
O8B Cl2B O6B 116.8(6) . . ?
O8B Cl2B O7B 106.0(7) . . ?
O6B Cl2B O7B 106.7(6) . . ?
O8B Cl2B O5B 107.5(6) . . ?
O6B Cl2B O5B 111.8(5) . . ?
O7B Cl2B O5B 107.4(6) . . ?
N1D Co4A N4C 175.1(4) . . ?
N1D Co4A N2C 87.8(4) . . ?
N4C Co4A N2C 88.8(3) . . ?
N1D Co4A N4 90.2(4) . . ?
N4C Co4A N4 86.4(4) . . ?
N2C Co4A N4 91.4(4) . . ?
N1D Co4A N3 90.1(4) . . ?
N4C Co4A N3 93.4(3) . . ?
N2C Co4A N3 90.4(4) . . ?
N4 Co4A N3 178.2(4) . . ?
N1D Co4A N3D 91.0(4) . . ?
N4C Co4A N3D 92.5(3) . . ?
N2C Co4A N3D 178.8(4) . . ?
N4 Co4A N3D 88.6(4) . . ?
N3 Co4A N3D 89.6(4) . . ?
N37 Co1B N2L 94.1(3) . . ?
N37 Co1B N4L 89.9(3) . . ?
N2L Co1B N4L 90.2(3) . . ?
N37 Co1B N3G 90.3(3) . . ?
N2L Co1B N3G 175.0(3) . . ?
N4L Co1B N3G 87.5(3) . . ?
N37 Co1B N39 179.2(4) . . ?
N2L Co1B N39 86.7(3) . . ?
N4L Co1B N39 90.4(3) . . ?
N3G Co1B N39 88.9(3) . . ?
N37 Co1B N1G 89.3(3) . . ?
N2L Co1B N1G 91.8(3) . . ?
N4L Co1B N1G 178.0(3) . . ?
N3G Co1B N1G 90.6(3) . . ?
N39 Co1B N1G 90.4(4) . . ?
O3 Cl1 O2 118.9(9) . . ?
O3 Cl1 O1 120.4(8) . . ?
O2 Cl1 O1 110.9(8) . . ?
O3 Cl1 O4 94.4(11) . . ?
O2 Cl1 O4 103.8(10) . . ?
O1 Cl1 O4 103.9(10) . . ?
N1F Co6A N3F 91.9(4) . . ?
N1F Co6A N59 90.0(4) . . ?
N3F Co6A N59 92.8(4) . . ?
N1F Co6A N2E 93.0(3) . . ?
N3F Co6A N2E 174.5(4) . . ?
N59 Co6A N2E 89.5(4) . . ?
N1F Co6A N4E 176.9(3) . . ?
N3F Co6A N4E 87.2(4) . . ?
N59 Co6A N4E 93.0(4) . . ?
N2E Co6A N4E 87.7(3) . . ?
N1F Co6A O13A 91.1(3) . . ?
N3F Co6A O13A 89.4(3) . . ?
N59 Co6A O13A 177.5(4) . . ?
N2E Co6A O13A 88.2(3) . . ?
N4E Co6A O13A 85.9(3) . . ?
N3L Co6B N57 90.5(4) . . ?
N3L Co6B N4K 92.8(3) . . ?
N57 Co6B N4K 92.0(4) . . ?
N3L Co6B N1L 90.9(3) . . ?
N57 Co6B N1L 90.2(4) . . ?
N4K Co6B N1L 175.6(3) . . ?
N3L Co6B N2K 174.1(3) . . ?
N57 Co6B N2K 94.5(4) . . ?
N4K Co6B N2K 90.0(3) . . ?
N1L Co6B N2K 86.0(3) . . ?
N3L Co6B O13B 90.2(3) . . ?
N57 Co6B O13B 179.2(4) . . ?
N4K Co6B O13B 88.2(3) . . ?
N1L Co6B O13B 89.5(3) . . ?
N2K Co6B O13B 84.8(3) . . ?
O22 Cl6 O21 123.2(10) . . ?
O22 Cl6 O24 104.6(9) . . ?
O21 Cl6 O24 100.5(9) . . ?
O22 Cl6 O23 104.7(8) . . ?
O21 Cl6 O23 112.6(8) . . ?
O24 Cl6 O23 110.7(8) . . ?
N57 C7 C8 150.2(18) . . ?
N56 Co4B N4I 87.9(4) . . ?
N56 Co4B N3J 89.5(3) . . ?
N4I Co4B N3J 88.0(3) . . ?
N56 Co4B N2I 89.1(3) . . ?
N4I Co4B N2I 91.0(3) . . ?
N3J Co4B N2I 178.3(4) . . ?
N56 Co4B N1J 92.3(4) . . ?
N4I Co4B N1J 179.3(3) . . ?
N3J Co4B N1J 91.3(3) . . ?
N2I Co4B N1J 89.7(3) . . ?
N56 Co4B N38 179.3(4) . . ?
N4I Co4B N38 91.4(3) . . ?
N3J Co4B N38 90.3(3) . . ?
N2I Co4B N38 91.1(3) . . ?
N1J Co4B N38 88.5(4) . . ?
O13 Cl4 O16 122.7(9) . . ?
O13 Cl4 O15 114.3(8) . . ?
O16 Cl4 O15 123.0(9) . . ?
O13 Cl4 O14 91.0(12) . . ?
O16 Cl4 O14 85.9(11) . . ?
O15 Cl4 O14 92.3(11) . . ?
O16A Cl4A O14A 112.3(7) . . ?
O16A Cl4A O13A 108.4(6) . . ?
O14A Cl4A O13A 109.7(5) . . ?
O16A Cl4A O15A 112.4(7) . . ?
O14A Cl4A O15A 108.3(6) . . ?
O13A Cl4A O15A 105.4(6) . . ?
O14B Cl4B O16B 109.2(6) . . ?
O14B Cl4B O15B 111.2(6) . . ?
O16B Cl4B O15B 110.3(6) . . ?
O14B Cl4B O13B 110.9(5) . . ?
O16B Cl4B O13B 108.1(6) . . ?
O15B Cl4B O13B 107.1(5) . . ?
O72 Cl20 O70 115.0(7) . . ?
O72 Cl20 O71 114.6(7) . . ?
O70 Cl20 O71 114.1(6) . . ?
O72 Cl20 O73 107.7(8) . . ?
O70 Cl20 O73 100.0(8) . . ?
O71 Cl20 O73 103.3(6) . . ?
C7A Si1A C16A 109.7(6) . . ?
C7A Si1A C2A 107.1(6) . . ?
C16A Si1A C2A 109.8(6) . . ?
C7A Si1A C11A 102.7(7) . . ?
C16A Si1A C11A 119.8(8) . . ?
C2A Si1A C11A 106.9(7) . . ?
C16B Si1B C2B 108.7(5) . . ?
C16B Si1B C11B 111.4(6) . . ?
C2B Si1B C11B 108.5(5) . . ?
C16B Si1B C7B 110.6(5) . . ?
C2B Si1B C7B 104.6(4) . . ?
C11B Si1B C7B 112.7(5) . . ?
C36B Si2B C22B 110.0(6) . . ?
C36B Si2B C31B 111.5(6) . . ?
C22B Si2B C31B 110.8(6) . . ?
C36B Si2B C27B 107.6(6) . . ?
C22B Si2B C27B 107.3(5) . . ?
C31B Si2B C27B 109.6(5) . . ?
C11C Si1C C16C 111.5(6) . . ?
C11C Si1C C7C 109.5(6) . . ?
C16C Si1C C7C 109.4(6) . . ?
C11C Si1C C2C 111.6(5) . . ?
C16C Si1C C2C 111.3(6) . . ?
C7C Si1C C2C 103.0(5) . . ?
C11D Si1D C7D 119.0(9) . . ?
C11D Si1D C16D 98.2(10) . . ?
C7D Si1D C16D 107.7(8) . . ?
C11D Si1D C2D 111.7(7) . . ?
C7D Si1D C2D 103.1(7) . . ?
C16D Si1D C2D 117.9(9) . . ?
C27D Si2D C31D 112.4(6) . . ?
C27D Si2D C22D 105.7(5) . . ?
C31D Si2D C22D 106.9(6) . . ?
C27D Si2D C36D 109.7(6) . . ?
C31D Si2D C36D 111.9(7) . . ?
C22D Si2D C36D 110.1(6) . . ?
C2E Si1E C11E 112.4(5) . . ?
C2E Si1E C16E 110.4(6) . . ?
C11E Si1E C16E 107.8(6) . . ?
C2E Si1E C7E 103.0(5) . . ?
C11E Si1E C7E 113.0(6) . . ?
C16E Si1E C7E 110.3(6) . . ?
C27L Si2L C31L 108.2(5) . . ?
C27L Si2L C22L 105.7(4) . . ?
C31L Si2L C22L 111.0(5) . . ?
C27L Si2L C36L 107.0(5) . . ?
C31L Si2L C36L 112.6(6) . . ?
C22L Si2L C36L 112.0(6) . . ?
C11L Si1L C2L 112.9(6) . . ?
C11L Si1L C7L 110.2(6) . . ?
C2L Si1L C7L 105.6(5) . . ?
C11L Si1L C16L 108.9(6) . . ?
C2L Si1L C16L 108.5(5) . . ?
C7L Si1L C16L 110.8(6) . . ?
C16G Si1G C11G 111.5(6) . . ?
C16G Si1G C7G 106.6(6) . . ?
C11G Si1G C7G 111.8(5) . . ?
C16G Si1G C2G 111.5(5) . . ?
C11G Si1G C2G 108.8(6) . . ?
C7G Si1G C2G 106.5(5) . . ?
C27G Si2G C31G 110.9(6) . . ?
C27G Si2G C22G 105.6(5) . . ?
C31G Si2G C22G 114.1(6) . . ?
C27G Si2G C36G 111.0(6) . . ?
C31G Si2G C36G 106.5(7) . . ?
C22G Si2G C36G 108.8(6) . . ?
C22H Si2H C36H 111.7(6) . . ?
C22H Si2H C27H 104.1(5) . . ?
C36H Si2H C27H 107.9(6) . . ?
C22H Si2H C31H 110.3(5) . . ?
C36H Si2H C31H 110.5(7) . . ?
C27H Si2H C31H 112.2(6) . . ?
C16H Si1H C11H 111.3(6) . . ?
C16H Si1H C2H 108.3(5) . . ?
C11H Si1H C2H 109.6(6) . . ?
C16H Si1H C7H 109.5(6) . . ?
C11H Si1H C7H 110.0(5) . . ?
C2H Si1H C7H 108.0(5) . . ?
C36I Si2I C22I 107.9(6) . . ?
C36I Si2I C27I 110.5(6) . . ?
C22I Si2I C27I 104.8(5) . . ?
C36I Si2I C31I 114.6(7) . . ?
C22I Si2I C31I 110.1(5) . . ?
C27I Si2I C31I 108.5(6) . . ?
C16I Si1I C2I 112.9(6) . . ?
C16I Si1I C11I 111.8(9) . . ?
C2I Si1I C11I 107.5(6) . . ?
C16I Si1I C7I 109.1(7) . . ?
C2I Si1I C7I 104.2(5) . . ?
C11I Si1I C7I 111.2(6) . . ?
C31K Si2K C36K 112.4(7) . . ?
C31K Si2K C27K 112.1(6) . . ?
C36K Si2K C27K 108.0(5) . . ?
C31K Si2K C22K 110.1(5) . . ?
C36K Si2K C22K 108.4(6) . . ?
C27K Si2K C22K 105.5(5) . . ?
C7K Si1K C2K 104.9(5) . . ?
C7K Si1K C16K 109.5(5) . . ?
C2K Si1K C16K 111.2(5) . . ?
C7K Si1K C11K 111.6(6) . . ?
C2K Si1K C11K 111.6(6) . . ?
C16K Si1K C11K 108.1(6) . . ?
C22J Si2J C36J 111.3(7) . . ?
C22J Si2J C31J 113.6(6) . . ?
C36J Si2J C31J 106.3(7) . . ?
C22J Si2J C27J 103.8(5) . . ?
C36J Si2J C27J 111.5(6) . . ?
C31J Si2J C27J 110.5(7) . . ?
C2J Si1J C16J 107.3(6) . . ?
C2J Si1J C11J 110.4(7) . . ?
C16J Si1J C11J 112.5(8) . . ?
C2J Si1J C7J 106.1(6) . . ?
C16J Si1J C7J 108.4(6) . . ?
C11J Si1J C7J 111.9(6) . . ?
Cl1A O1A Co2A 152.2(6) . . ?
Cl1B O1B Co2B 136.6(5) . . ?
Cl2A O5A Co3A 147.8(5) . . ?
Cl2B O5B Co3B 143.8(5) . . ?
O50 Cl13 O52 100.4(18) . . ?
O50 Cl13 O51 109.2(17) . . ?
O52 Cl13 O51 108.9(18) . . ?
O50 Cl13 O49 103.5(18) . . ?
O52 Cl13 O49 116.2(18) . . ?
O51 Cl13 O49 116.9(16) . . ?
Cl4A O13A Co6A 146.9(5) . . ?
Cl3B O9B Co5B 146.0(6) . . ?
Cl3B O10B O11B 48.2(7) . . ?
Cl3B O11B O10B 52.3(7) . . ?
Cl4B O13B Co6B 147.8(5) . . ?
C1 N1 Co1A 175.6(12) . . ?
C3 N2 Co1A 176.0(9) . . ?
C97 N3 Co4A 175.8(9) . . ?
C95 N4 Co4A 170.4(11) . . ?
C26F N4F C30F 118.1(10) . . ?
C26F N4F Co1A 123.3(7) . . ?
C30F N4F Co1A 118.3(8) . . ?
C1A N1A C5A 114.4(10) . . ?
C1A N1A Co1A 121.8(8) . . ?
C5A N1A Co1A 123.8(8) . . ?
C6A N2A C10A 116.1(11) . . ?
C6A N2A Co2A 121.7(8) . . ?
C10A N2A Co2A 121.8(8) . . ?
C5B N1B C1B 115.5(9) . . ?
C5B N1B Co2A 122.7(7) . . ?
C1B N1B Co2A 120.6(6) . . ?
C26A N4A C30A 117.1(10) . . ?
C26A N4A Co2A 124.3(7) . . ?
C30A N4A Co2A 118.6(8) . . ?
C25B N3B C21B 117.4(10) . . ?
C25B N3B Co2A 121.0(7) . . ?
C21B N3B Co2A 121.4(8) . . ?
C1F N1F C5F 115.5(10) . . ?
C1F N1F Co6A 124.0(7) . . ?
C5F N1F Co6A 120.3(7) . . ?
C21F N3F C25F 113.0(10) . . ?
C21F N3F Co6A 122.5(7) . . ?
C25F N3F Co6A 123.9(8) . . ?
C30E N4E C26E 116.2(10) . . ?
C30E N4E Co6A 120.4(7) . . ?
C26E N4E Co6A 122.7(7) . . ?
C6E N2E C10E 116.3(10) . . ?
C6E N2E Co6A 121.5(7) . . ?
C10E N2E Co6A 122.1(8) . . ?
C5E N1E C1E 118.4(10) . . ?
C5E N1E Co5A 120.4(8) . . ?
C1E N1E Co5A 120.6(7) . . ?
C30D N4D C26D 114.1(10) . . ?
C30D N4D Co5A 124.6(8) . . ?
C26D N4D Co5A 121.1(8) . . ?
C25E N3E C21E 121.5(12) . . ?
C25E N3E Co5A 116.2(10) . . ?
C21E N3E Co5A 122.1(8) . . ?
C6D N2D C10D 112.5(12) . . ?
C6D N2D Co5A 125.9(8) . . ?
C10D N2D Co5A 121.6(9) . . ?
C5D N1D C1D 114.0(10) . . ?
C5D N1D Co4A 122.8(8) . . ?
C1D N1D Co4A 123.1(8) . . ?
C30C N4C C26C 118.2(9) . . ?
C30C N4C Co4A 120.8(8) . . ?
C26C N4C Co4A 120.7(7) . . ?
C5C N1C C1C 116.5(9) . . ?
C5C N1C Co3A 122.4(7) . . ?
C1C N1C Co3A 121.0(6) . . ?
C21C N3C C25C 118.9(9) . . ?
C21C N3C Co3A 119.8(7) . . ?
C25C N3C Co3A 120.8(7) . . ?
C30B N4B C26B 115.9(9) . . ?
C30B N4B Co3A 120.9(7) . . ?
C26B N4B Co3A 122.6(6) . . ?
C6B N2B C10B 116.8(9) . . ?
C6B N2B Co3A 122.3(7) . . ?
C10B N2B Co3A 121.0(6) . . ?
C30G N4G C26G 117.3(9) . . ?
C30G N4G Co2B 119.0(7) . . ?
C26G N4G Co2B 123.4(7) . . ?
C21H N3H C25H 117.9(9) . . ?
C21H N3H Co2B 121.2(7) . . ?
C25H N3H Co2B 120.9(7) . . ?
C1H N1H C5H 116.3(9) . . ?
C1H N1H Co2B 122.2(7) . . ?
C5H N1H Co2B 121.5(6) . . ?
C6G N2G C10G 118.7(8) . . ?
C6G N2G Co2B 121.1(6) . . ?
C10G N2G Co2B 120.2(7) . . ?
C259 N37 Co1B 176.0(8) . . ?
C184 N38 Co4B 176.4(9) . . ?
C261 N39 Co1B 167.1(11) . . ?
C5G N1G C1G 115.6(9) . . ?
C5G N1G Co1B 123.3(7) . . ?
C1G N1G Co1B 120.5(7) . . ?
C21G N3G C25G 118.0(9) . . ?
C21G N3G Co1B 121.1(7) . . ?
C25G N3G Co1B 120.7(7) . . ?
C21I N3I C25I 118.2(9) . . ?
C21I N3I Co3B 122.9(6) . . ?
C25I N3I Co3B 118.9(7) . . ?
C25J N3J C21J 118.5(9) . . ?
C25J N3J Co4B 121.2(7) . . ?
C21J N3J Co4B 119.4(7) . . ?
C21K N3K C25K 116.3(9) . . ?
C21K N3K Co5B 122.4(7) . . ?
C25K N3K Co5B 120.9(7) . . ?
C25L N3L C21L 117.0(9) . . ?
C25L N3L Co6B 123.2(7) . . ?
C21L N3L Co6B 119.9(6) . . ?
C1I N1I C5I 115.4(10) . . ?
C1I N1I Co3B 122.4(7) . . ?
C5I N1I Co3B 122.2(7) . . ?
C1J N1J C5J 119.9(10) . . ?
C1J N1J Co4B 122.3(7) . . ?
C5J N1J Co4B 117.9(8) . . ?
C1K N1K C5K 117.3(10) . . ?
C1K N1K Co5B 122.9(7) . . ?
C5K N1K Co5B 119.9(7) . . ?
C1L N1L C5L 118.3(10) . . ?
C1L N1L Co6B 120.5(7) . . ?
C5L N1L Co6B 121.1(8) . . ?
C26H N4H C30H 116.7(9) . . ?
C26H N4H Co3B 122.0(7) . . ?
C30H N4H Co3B 121.3(7) . . ?
C10H N2H C6H 116.9(9) . . ?
C10H N2H Co3B 121.2(7) . . ?
C6H N2H Co3B 121.9(6) . . ?
C30I N4I C26I 114.0(10) . . ?
C30I N4I Co4B 123.4(8) . . ?
C26I N4I Co4B 122.5(7) . . ?
C26J N4J C30J 114.5(10) . . ?
C26J N4J Co5B 125.6(7) . . ?
C30J N4J Co5B 119.5(7) . . ?
C26K N4K C30K 117.5(10) . . ?
C26K N4K Co6B 122.7(7) . . ?
C30K N4K Co6B 119.6(7) . . ?
C26L N4L C30L 117.7(9) . . ?
C26L N4L Co1B 122.8(7) . . ?
C30L N4L Co1B 119.5(7) . . ?
C6I N2I C10I 117.3(9) . . ?
C6I N2I Co4B 125.0(7) . . ?
C10I N2I Co4B 117.4(7) . . ?
C6J N2J C10J 115.6(9) . . ?
C6J N2J Co5B 123.2(7) . . ?
C10J N2J Co5B 121.2(7) . . ?
C6K N2K C10K 116.7(9) . . ?
C6K N2K Co6B 124.6(7) . . ?
C10K N2K Co6B 118.5(7) . . ?
C6L N2L C10L 115.5(9) . . ?
C6L N2L Co1B 123.8(7) . . ?
C10L N2L Co1B 120.7(7) . . ?
C6F N2F C10F 116.3(9) . . ?
C6F N2F Co1A 126.0(7) . . ?
C10F N2F Co1A 117.7(7) . . ?
C21D N3D C25D 119.5(10) . . ?
C21D N3D Co4A 119.9(7) . . ?
C25D N3D Co4A 120.6(7) . . ?
C21A N3A C25A 122.8(10) . . ?
C21A N3A Co1A 120.3(8) . . ?
C25A N3A Co1A 116.5(8) . . ?
C6C N2C C10C 117.2(10) . . ?
C6C N2C Co4A 122.3(7) . . ?
C10C N2C Co4A 120.5(7) . . ?
O83 Co5A N4D 91.7(4) . . ?
O83 Co5A N2D 87.7(4) . . ?
N4D Co5A N2D 90.8(4) . . ?
O83 Co5A N1E 93.8(4) . . ?
N4D Co5A N1E 174.4(4) . . ?
N2D Co5A N1E 89.1(4) . . ?
O83 Co5A N3E 90.2(4) . . ?
N4D Co5A N3E 91.0(4) . . ?
N2D Co5A N3E 177.2(4) . . ?
N1E Co5A N3E 89.3(4) . . ?
O83 Co5A O9A 175.7(4) . . ?
N4D Co5A O9A 88.3(3) . . ?
N2D Co5A O9A 96.6(4) . . ?
N1E Co5A O9A 86.2(3) . . ?
N3E Co5A O9A 85.5(4) . . ?
O39 Cl10 O37 108.7(11) . . ?
O39 Cl10 O40 108.7(11) . . ?
O37 Cl10 O40 114.2(11) . . ?
O39 Cl10 O38 107.9(9) . . ?
O37 Cl10 O38 114.0(10) . . ?
O40 Cl10 O38 103.0(11) . . ?
O30 Cl8 O31 115.4(9) . . ?
O30 Cl8 O32 103.6(8) . . ?
O31 Cl8 O32 104.7(9) . . ?
O30 Cl8 O29 108.8(9) . . ?
O31 Cl8 O29 103.2(10) . . ?
O32 Cl8 O29 121.6(11) . . ?
N56 C9 C10 157.6(17) . . ?
O25 Cl7 O28 114.6(9) . . ?
O25 Cl7 O27 120.7(9) . . ?
O28 Cl7 O27 123.6(9) . . ?
O25 Cl7 O26 96.3(10) . . ?
O28 Cl7 O26 80.3(10) . . ?
O27 Cl7 O26 83.6(10) . . ?
N1 C1 C2 169(2) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N2 C3 C4 176.5(16) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C7 C8 H8X 109.5 . . ?
C7 C8 H8Y 109.5 . . ?
H8X C8 H8Y 109.5 . . ?
C7 C8 H8Z 109.5 . . ?
H8X C8 H8Z 109.5 . . ?
H8Y C8 H8Z 109.5 . . ?
O36 Cl9 O34 123.1(9) . . ?
O36 Cl9 O33 97.0(11) . . ?
O34 Cl9 O33 117.4(10) . . ?
O36 Cl9 O35 115.6(10) . . ?
O34 Cl9 O35 96.6(9) . . ?
O33 Cl9 O35 107.4(11) . . ?
C9 C10 H10X 109.5 . . ?
C9 C10 H10Y 109.5 . . ?
H10X C10 H10Y 109.5 . . ?
C9 C10 H10Z 109.5 . . ?
H10X C10 H10Z 109.5 . . ?
H10Y C10 H10Z 109.5 . . ?
O42 Cl11 O41 104.2(9) . . ?
O42 Cl11 O44 116.0(8) . . ?
O41 Cl11 O44 104.6(10) . . ?
O42 Cl11 O43 108.8(8) . . ?
O41 Cl11 O43 108.2(9) . . ?
O44 Cl11 O43 114.2(8) . . ?
O46 Cl12 O47 122.4(10) . . ?
O46 Cl12 O45 121.1(10) . . ?
O47 Cl12 O45 113.3(10) . . ?
O46 Cl12 O48 101.2(12) . . ?
O47 Cl12 O48 106.0(12) . . ?
O45 Cl12 O48 79.6(11) . . ?
C9 N56 Co4B 156.9(12) . . ?
C7 N57 Co6B 154.0(13) . . ?
C11 N58 Co3B 163.4(13) . . ?
C327 N59 Co6A 169.6(11) . . ?
C407 N61 Co5B 174.2(11) . . ?
N4 C95 C96 175.4(17) . . ?
C95 C96 H96A 109.5 . . ?
C95 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C95 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
N3 C97 C98 171.0(15) . . ?
C97 C98 H98A 109.5 . . ?
C97 C98 H98B 109.5 . . ?
H98A C98 H98B 109.5 . . ?
C97 C98 H98C 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
N38 C184 C185 176.2(15) . . ?
C184 C185 H18A 109.5 . . ?
C184 C185 H18B 109.5 . . ?
H18A C185 H18B 109.5 . . ?
C184 C185 H18C 109.5 . . ?
H18A C185 H18C 109.5 . . ?
H18B C185 H18C 109.5 . . ?
N37 C259 C260 174.8(14) . . ?
C259 C260 H26A 109.5 . . ?
C259 C260 H26B 109.5 . . ?
H26A C260 H26B 109.5 . . ?
C259 C260 H26C 109.5 . . ?
H26A C260 H26C 109.5 . . ?
H26B C260 H26C 109.5 . . ?
N39 C261 C262 178.1(16) . . ?
C261 C262 H26D 109.5 . . ?
C261 C262 H26E 109.5 . . ?
H26D C262 H26E 109.5 . . ?
C261 C262 H26F 109.5 . . ?
H26D C262 H26F 109.5 . . ?
H26E C262 H26F 109.5 . . ?
N59 C327 C430 175.1(17) . . ?
C11 C384 H38A 109.5 . . ?
C11 C384 H38B 109.5 . . ?
H38A C384 H38B 109.5 . . ?
C11 C384 H38C 109.5 . . ?
H38A C384 H38C 109.5 . . ?
H38B C384 H38C 109.5 . . ?
N61 C407 C408 175.3(18) . . ?
C407 C408 H40A 109.5 . . ?
C407 C408 H40B 109.5 . . ?
H40A C408 H40B 109.5 . . ?
C407 C408 H40C 109.5 . . ?
H40A C408 H40C 109.5 . . ?
H40B C408 H40C 109.5 . . ?
C327 C430 H43A 109.5 . . ?
C327 C430 H43B 109.5 . . ?
H43A C430 H43B 109.5 . . ?
C327 C430 H43C 109.5 . . ?
H43A C430 H43C 109.5 . . ?
H43B C430 H43C 109.5 . . ?
N1A C1A C2A 127.9(11) . . ?
N1A C1A H1A 116.0 . . ?
C2A C1A H1A 116.0 . . ?
C1A C2A C3A 116.4(11) . . ?
C1A C2A Si1A 124.7(9) . . ?
C3A C2A Si1A 118.7(9) . . ?
C2A C3A C4A 117.9(11) . . ?
C2A C3A H3A 121.1 . . ?
C4A C3A H3A 121.1 . . ?
C5A C4A C3A 119.6(12) . . ?
C5A C4A H4AT 120.2 . . ?
C3A C4A H4AT 120.2 . . ?
C4A C5A N1A 123.7(12) . . ?
C4A C5A H5A 118.2 . . ?
N1A C5A H5A 118.2 . . ?
N2A C6A C7A 124.5(11) . . ?
N2A C6A H6A 117.8 . . ?
C7A C6A H6A 117.8 . . ?
C8A C7A C6A 112.6(11) . . ?
C8A C7A Si1A 129.3(10) . . ?
C6A C7A Si1A 118.0(9) . . ?
C9A C8A C7A 124.2(13) . . ?
C9A C8A H8W 117.9 . . ?
C7A C8A H8W 117.9 . . ?
C8A C9A C10A 119.7(13) . . ?
C8A C9A H9A 120.2 . . ?
C10A C9A H9A 120.2 . . ?
N2A C10A C9A 122.8(12) . . ?
N2A C10A H10W 118.6 . . ?
C9A C10A H10W 118.6 . . ?
C15A C11A C12A 91.9(16) . . ?
C15A C11A Si1A 121.1(15) . . ?
C12A C11A Si1A 109.7(13) . . ?
C15A C11A H11A 110.8 . . ?
C12A C11A H11A 110.8 . . ?
Si1A C11A H11A 110.8 . . ?
C13A C12A C11A 104.2(16) . . ?
C13A C12A H12A 110.9 . . ?
C11A C12A H12A 110.9 . . ?
C13A C12A H12B 110.9 . . ?
C11A C12A H12B 110.9 . . ?
H12A C12A H12B 108.9 . . ?
C12A C13A C14A 103.1(16) . . ?
C12A C13A H13A 111.1 . . ?
C14A C13A H13A 111.1 . . ?
C12A C13A H13B 111.1 . . ?
C14A C13A H13B 111.1 . . ?
H13A C13A H13B 109.1 . . ?
C13A C14A C15A 101.1(17) . . ?
C13A C14A H14A 111.6 . . ?
C15A C14A H14A 111.6 . . ?
C13A C14A H14B 111.6 . . ?
C15A C14A H14B 111.6 . . ?
H14A C14A H14B 109.4 . . ?
C11A C15A C14A 100.1(17) . . ?
C11A C15A H15A 111.8 . . ?
C14A C15A H15A 111.8 . . ?
C11A C15A H15B 111.8 . . ?
C14A C15A H15B 111.7 . . ?
H15A C15A H15B 109.5 . . ?
C20A C16A C17A 107.9(13) . . ?
C20A C16A Si1A 115.5(11) . . ?
C17A C16A Si1A 110.0(11) . . ?
C20A C16A H16A 107.7 . . ?
C17A C16A H16A 107.7 . . ?
Si1A C16A H16A 107.7 . . ?
C18A C17A C16A 99.6(13) . . ?
C18A C17A H17A 111.8 . . ?
C16A C17A H17A 111.8 . . ?
C18A C17A H17B 111.8 . . ?
C16A C17A H17B 111.8 . . ?
H17A C17A H17B 109.6 . . ?
C19A C18A C17A 102.7(14) . . ?
C19A C18A H18D 111.2 . . ?
C17A C18A H18D 111.2 . . ?
C19A C18A H18' 111.2 . . ?
C17A C18A H18' 111.2 . . ?
H18D C18A H18' 109.1 . . ?
C18A C19A C20A 107.2(15) . . ?
C18A C19A H19A 110.3 . . ?
C20A C19A H19A 110.3 . . ?
C18A C19A H19Z 110.3 . . ?
C20A C19A H19Z 110.3 . . ?
H19A C19A H19Z 108.5 . . ?
C19A C20A C16A 103.2(14) . . ?
C19A C20A H20A 111.1 . . ?
C16A C20A H20A 111.1 . . ?
C19A C20A H20B 111.1 . . ?
C16A C20A H20B 111.1 . . ?
H20A C20A H20B 109.1 . . ?
N3A C21A C22A 120.8(10) . . ?
N3A C21A H21A 119.6 . . ?
C22A C21A H21A 119.6 . . ?
C23A C22A C21A 118.6(11) . . ?
C23A C22A Si2A 120.8(9) . . ?
C21A C22A Si2A 120.4(9) . . ?
C22A C23A C24A 117.8(12) . . ?
C22A C23A H23A 121.1 . . ?
C24A C23A H23A 121.1 . . ?
C25A C24A C23A 121.6(12) . . ?
C25A C24A H24A 119.2 . . ?
C23A C24A H24A 119.2 . . ?
N3A C25A C24A 117.7(11) . . ?
N3A C25A H25A 121.2 . . ?
C24A C25A H25A 121.2 . . ?
N4A C26A C27A 127.2(11) . . ?
N4A C26A H26G 116.4 . . ?
C27A C26A H26G 116.4 . . ?
C28A C27A C26A 111.9(11) . . ?
C28A C27A Si2A 124.6(9) . . ?
C26A C27A Si2A 123.0(9) . . ?
C29A C28A C27A 123.5(11) . . ?
C29A C28A H28A 118.3 . . ?
C27A C28A H28A 118.3 . . ?
C28A C29A C30A 118.9(11) . . ?
C28A C29A H29A 120.6 . . ?
C30A C29A H29A 120.6 . . ?
N4A C30A C29A 120.9(12) . . ?
N4A C30A H30A 119.5 . . ?
C29A C30A H30A 119.5 . . ?
C35A C31A C32A 110.3(14) . . ?
C35A C31A Si2A 109.2(11) . . ?
C32A C31A Si2A 114.4(12) . . ?
C35A C31A H31A 107.5 . . ?
C32A C31A H31A 107.5 . . ?
Si2A C31A H31A 107.5 . . ?
C33A C32A C31A 95.6(14) . . ?
C33A C32A H32A 112.6 . . ?
C31A C32A H32A 112.6 . . ?
C33A C32A H32B 112.6 . . ?
C31A C32A H32B 112.6 . . ?
H32A C32A H32B 110.1 . . ?
C32A C33A C34A 116.0(15) . . ?
C32A C33A H33A 108.3 . . ?
C34A C33A H33A 108.3 . . ?
C32A C33A H33B 108.3 . . ?
C34A C33A H33B 108.3 . . ?
H33A C33A H33B 107.4 . . ?
C35A C34A C33A 104.9(16) . . ?
C35A C34A H34A 110.8 . . ?
C33A C34A H34A 110.8 . . ?
C35A C34A H34B 110.8 . . ?
C33A C34A H34B 110.8 . . ?
H34A C34A H34B 108.8 . . ?
C34A C35A C31A 99.5(14) . . ?
C34A C35A H35A 111.9 . . ?
C31A C35A H35A 111.9 . . ?
C34A C35A H35B 111.9 . . ?
C31A C35A H35B 111.9 . . ?
H35A C35A H35B 109.6 . . ?
C37A C36A C40A 110.9(14) . . ?
C37A C36A Si2A 115.6(11) . . ?
C40A C36A Si2A 112.8(12) . . ?
C37A C36A H36A 105.5 . . ?
C40A C36A H36A 105.5 . . ?
Si2A C36A H36A 105.5 . . ?
C36A C37A C38A 106.6(15) . . ?
C36A C37A H37A 110.4 . . ?
C38A C37A H37A 110.4 . . ?
C36A C37A H37B 110.4 . . ?
C38A C37A H37B 110.4 . . ?
H37A C37A H37B 108.6 . . ?
C39A C38A C37A 101.6(15) . . ?
C39A C38A H38D 111.4 . . ?
C37A C38A H38D 111.4 . . ?
C39A C38A H38E 111.4 . . ?
C37A C38A H38E 111.4 . . ?
H38D C38A H38E 109.3 . . ?
C40A C39A C38A 117.3(17) . . ?
C40A C39A H39A 108.0 . . ?
C38A C39A H39A 108.0 . . ?
C40A C39A H39B 108.0 . . ?
C38A C39A H39B 108.0 . . ?
H39A C39A H39B 107.2 . . ?
C39A C40A C36A 99.8(15) . . ?
C39A C40A H40D 111.8 . . ?
C36A C40A H40D 111.8 . . ?
C39A C40A H40E 111.8 . . ?
C36A C40A H40E 111.8 . . ?
H40D C40A H40E 109.5 . . ?
N1B C1B C2B 123.6(9) . . ?
N1B C1B H1B 118.2 . . ?
C2B C1B H1B 118.2 . . ?
C1B C2B C3B 116.2(10) . . ?
C1B C2B Si1B 122.2(8) . . ?
C3B C2B Si1B 121.5(8) . . ?
C4B C3B C2B 120.2(10) . . ?
C4B C3B H3B 119.9 . . ?
C2B C3B H3B 119.9 . . ?
C5B C4B C3B 120.2(11) . . ?
C5B C4B H4BA 119.9 . . ?
C3B C4B H4BA 119.9 . . ?
C4B C5B N1B 124.0(10) . . ?
C4B C5B H5B 118.0 . . ?
N1B C5B H5B 118.0 . . ?
N2B C6B C7B 125.7(10) . . ?
N2B C6B H6B 117.1 . . ?
C7B C6B H6B 117.1 . . ?
C6B C7B C8B 117.0(9) . . ?
C6B C7B Si1B 121.4(8) . . ?
C8B C7B Si1B 121.4(7) . . ?
C9B C8B C7B 117.6(10) . . ?
C9B C8B H8V 121.2 . . ?
C7B C8B H8V 121.2 . . ?
C8B C9B C10B 120.6(10) . . ?
C8B C9B H9B 119.7 . . ?
C10B C9B H9B 119.7 . . ?
C9B C10B N2B 122.3(9) . . ?
C9B C10B H10V 118.9 . . ?
N2B C10B H10V 118.9 . . ?
C12B C11B C15B 104.5(10) . . ?
C12B C11B Si1B 120.9(9) . . ?
C15B C11B Si1B 110.6(8) . . ?
C12B C11B H11B 106.6 . . ?
C15B C11B H11B 106.6 . . ?
Si1B C11B H11B 106.6 . . ?
C11B C12B C13B 106.4(11) . . ?
C11B C12B H12C 110.4 . . ?
C13B C12B H12C 110.4 . . ?
C11B C12B H12D 110.4 . . ?
C13B C12B H12D 110.4 . . ?
H12C C12B H12D 108.6 . . ?
C14B C13B C12B 108.6(12) . . ?
C14B C13B H13C 110.0 . . ?
C12B C13B H13C 110.0 . . ?
C14B C13B H13D 110.0 . . ?
C12B C13B H13D 110.0 . . ?
H13C C13B H13D 108.3 . . ?
C13B C14B C15B 104.3(11) . . ?
C13B C14B H14C 110.9 . . ?
C15B C14B H14C 110.9 . . ?
C13B C14B H14D 110.9 . . ?
C15B C14B H14D 110.9 . . ?
H14C C14B H14D 108.9 . . ?
C11B C15B C14B 102.8(10) . . ?
C11B C15B H15C 111.2 . . ?
C14B C15B H15C 111.2 . . ?
C11B C15B H15D 111.2 . . ?
C14B C15B H15D 111.2 . . ?
H15C C15B H15D 109.1 . . ?
C17B C16B C20B 109.1(11) . . ?
C17B C16B Si1B 112.9(9) . . ?
C20B C16B Si1B 116.6(9) . . ?
C17B C16B H16B 105.8 . . ?
C20B C16B H16B 105.8 . . ?
Si1B C16B H16B 105.8 . . ?
C16B C17B C18B 104.9(12) . . ?
C16B C17B H17C 110.8 . . ?
C18B C17B H17C 110.8 . . ?
C16B C17B H17D 110.8 . . ?
C18B C17B H17D 110.8 . . ?
H17C C17B H17D 108.8 . . ?
C17B C18B C19B 101.8(12) . . ?
C17B C18B H1AA 111.4 . . ?
C19B C18B H1AA 111.4 . . ?
C17B C18B H18F 111.4 . . ?
C19B C18B H18F 111.4 . . ?
H1AA C18B H18F 109.3 . . ?
C20B C19B C18B 111.5(13) . . ?
C20B C19B H1AB 109.3 . . ?
C18B C19B H1AB 109.3 . . ?
C20B C19B H19C 109.3 . . ?
C18B C19B H19C 109.3 . . ?
H1AB C19B H19C 108.0 . . ?
C19B C20B C16B 103.4(12) . . ?
C19B C20B H20C 111.1 . . ?
C16B C20B H20C 111.1 . . ?
C19B C20B H20D 111.1 . . ?
C16B C20B H20D 111.1 . . ?
H20C C20B H20D 109.1 . . ?
N3B C21B C22B 125.5(11) . . ?
N3B C21B H21B 117.3 . . ?
C22B C21B H21B 117.3 . . ?
C21B C22B C23B 115.8(10) . . ?
C21B C22B Si2B 121.8(9) . . ?
C23B C22B Si2B 122.4(9) . . ?
C24B C23B C22B 118.9(11) . . ?
C24B C23B H23B 120.5 . . ?
C22B C23B H23B 120.5 . . ?
C23B C24B C25B 118.6(11) . . ?
C23B C24B H24B 120.7 . . ?
C25B C24B H24B 120.7 . . ?
N3B C25B C24B 123.7(10) . . ?
N3B C25B H25B 118.2 . . ?
C24B C25B H25B 118.2 . . ?
C27B C26B N4B 122.8(9) . . ?
C27B C26B H26H 118.6 . . ?
N4B C26B H26H 118.6 . . ?
C26B C27B C28B 118.3(11) . . ?
C26B C27B Si2B 120.8(8) . . ?
C28B C27B Si2B 120.9(9) . . ?
C29B C28B C27B 118.5(11) . . ?
C29B C28B H28B 120.7 . . ?
C27B C28B H28B 120.7 . . ?
C30B C29B C28B 119.7(11) . . ?
C30B C29B H29B 120.2 . . ?
C28B C29B H29B 120.2 . . ?
C29B C30B N4B 123.7(11) . . ?
C29B C30B H30B 118.2 . . ?
N4B C30B H30B 118.2 . . ?
C32B C31B C35B 109.1(11) . . ?
C32B C31B Si2B 110.0(10) . . ?
C35B C31B Si2B 113.5(9) . . ?
C32B C31B H31B 108.1 . . ?
C35B C31B H31B 108.1 . . ?
Si2B C31B H31B 108.1 . . ?
C31B C32B C33B 101.3(13) . . ?
C31B C32B H32C 111.5 . . ?
C33B C32B H32C 111.5 . . ?
C31B C32B H32D 111.5 . . ?
C33B C32B H32D 111.5 . . ?
H32C C32B H32D 109.3 . . ?
C32B C33B C34B 107.9(12) . . ?
C32B C33B H33C 110.1 . . ?
C34B C33B H33C 110.1 . . ?
C32B C33B H33D 110.1 . . ?
C34B C33B H33D 110.1 . . ?
H33C C33B H33D 108.4 . . ?
C35B C34B C33B 107.7(13) . . ?
C35B C34B H34C 110.2 . . ?
C33B C34B H34C 110.2 . . ?
C35B C34B H34D 110.2 . . ?
C33B C34B H34D 110.2 . . ?
H34C C34B H34D 108.5 . . ?
C34B C35B C31B 97.5(12) . . ?
C34B C35B H35C 112.3 . . ?
C31B C35B H35C 112.3 . . ?
C34B C35B H35D 112.3 . . ?
C31B C35B H35D 112.3 . . ?
H35C C35B H35D 109.9 . . ?
C40B C36B C37B 104.4(11) . . ?
C40B C36B Si2B 116.0(11) . . ?
C37B C36B Si2B 117.8(10) . . ?
C40B C36B H36B 105.9 . . ?
C37B C36B H36B 105.9 . . ?
Si2B C36B H36B 105.9 . . ?
C39B C37B C36B 108.5(13) . . ?
C39B C37B H37C 110.0 . . ?
C36B C37B H37C 110.0 . . ?
C39B C37B H37D 110.0 . . ?
C36B C37B H37D 110.0 . . ?
H37C C37B H37D 108.4 . . ?
C39B C38B C40B 110.4(13) . . ?
C39B C38B H38F 109.6 . . ?
C40B C38B H38F 109.6 . . ?
C39B C38B H38G 109.6 . . ?
C40B C38B H38G 109.6 . . ?
H38F C38B H38G 108.1 . . ?
C37B C39B C38B 108.9(14) . . ?
C37B C39B H39C 109.9 . . ?
C38B C39B H39C 109.9 . . ?
C37B C39B H39D 109.9 . . ?
C38B C39B H39D 109.9 . . ?
H39C C39B H39D 108.3 . . ?
C38B C40B C36B 105.4(13) . . ?
C38B C40B H40F 110.7 . . ?
C36B C40B H40F 110.7 . . ?
C38B C40B H40G 110.7 . . ?
C36B C40B H40G 110.7 . . ?
H40F C40B H40G 108.8 . . ?
N1C C1C C2C 123.0(9) . . ?
N1C C1C H1C 118.5 . . ?
C2C C1C H1C 118.5 . . ?
C1C C2C C3C 119.5(10) . . ?
C1C C2C Si1C 122.2(7) . . ?
C3C C2C Si1C 118.2(8) . . ?
C4C C3C C2C 115.6(10) . . ?
C4C C3C H3C 122.2 . . ?
C2C C3C H3C 122.2 . . ?
C5C C4C C3C 121.8(10) . . ?
C5C C4C H4CA 119.1 . . ?
C3C C4C H4CA 119.1 . . ?
C4C C5C N1C 123.4(10) . . ?
C4C C5C H5C 118.3 . . ?
N1C C5C H5C 118.3 . . ?
N2C C6C C7C 125.4(10) . . ?
N2C C6C H6C 117.3 . . ?
C7C C6C H6C 117.3 . . ?
C6C C7C C8C 112.5(10) . . ?
C6C C7C Si1C 120.8(8) . . ?
C8C C7C Si1C 126.6(9) . . ?
C9C C8C C7C 122.4(11) . . ?
C9C C8C H8U 118.8 . . ?
C7C C8C H8U 118.8 . . ?
C10C C9C C8C 119.3(11) . . ?
C10C C9C H9C 120.4 . . ?
C8C C9C H9C 120.4 . . ?
C9C C10C N2C 123.1(11) . . ?
C9C C10C H10U 118.4 . . ?
N2C C10C H10U 118.4 . . ?
C15C C11C C12C 107.6(10) . . ?
C15C C11C Si1C 119.7(10) . . ?
C12C C11C Si1C 110.6(9) . . ?
C15C C11C H11C 106.0 . . ?
C12C C11C H11C 106.0 . . ?
Si1C C11C H11C 106.0 . . ?
C13C C12C C11C 100.9(11) . . ?
C13C C12C H12E 111.6 . . ?
C11C C12C H12E 111.6 . . ?
C13C C12C H12F 111.6 . . ?
C11C C12C H12F 111.6 . . ?
H12E C12C H12F 109.4 . . ?
C14C C13C C12C 109.9(13) . . ?
C14C C13C H13E 109.7 . . ?
C12C C13C H13E 109.7 . . ?
C14C C13C H13F 109.7 . . ?
C12C C13C H13F 109.7 . . ?
H13E C13C H13F 108.2 . . ?
C13C C14C C15C 105.7(12) . . ?
C13C C14C H14E 110.6 . . ?
C15C C14C H14E 110.6 . . ?
C13C C14C H14U 110.6 . . ?
C15C C14C H14U 110.6 . . ?
H14E C14C H14U 108.7 . . ?
C11C C15C C14C 107.7(12) . . ?
C11C C15C H15E 110.2 . . ?
C14C C15C H15E 110.2 . . ?
C11C C15C H15' 110.2 . . ?
C14C C15C H15' 110.2 . . ?
H15E C15C H15' 108.5 . . ?
C20C C16C C17C 102.4(13) . . ?
C20C C16C Si1C 119.0(10) . . ?
C17C C16C Si1C 113.4(10) . . ?
C20C C16C H16C 107.1 . . ?
C17C C16C H16C 107.1 . . ?
Si1C C16C H16C 107.1 . . ?
C16C C17C C18C 103.9(12) . . ?
C16C C17C H17E 111.0 . . ?
C18C C17C H17E 111.0 . . ?
C16C C17C H17F 111.0 . . ?
C18C C17C H17F 111.0 . . ?
H17E C17C H17F 109.0 . . ?
C19C C18C C17C 103.9(12) . . ?
C19C C18C H18G 111.0 . . ?
C17C C18C H18G 111.0 . . ?
C19C C18C H18H 111.0 . . ?
C17C C18C H18H 111.0 . . ?
H18G C18C H18H 109.0 . . ?
C18C C19C C20C 103.8(13) . . ?
C18C C19C H19D 111.0 . . ?
C20C C19C H19D 111.0 . . ?
C18C C19C H19E 111.0 . . ?
C20C C19C H19E 111.0 . . ?
H19D C19C H19E 109.0 . . ?
C16C C20C C19C 110.0(12) . . ?
C16C C20C H20E 109.7 . . ?
C19C C20C H20E 109.7 . . ?
C16C C20C H20F 109.7 . . ?
C19C C20C H20F 109.7 . . ?
H20E C20C H20F 108.2 . . ?
N3C C21C C22C 125.2(9) . . ?
N3C C21C H21C 117.4 . . ?
C22C C21C H21C 117.4 . . ?
C23C C22C C21C 112.7(9) . . ?
C23C C22C Si2C 128.0(9) . . ?
C21C C22C Si2C 119.2(8) . . ?
C24C C23C C22C 124.6(11) . . ?
C24C C23C H23C 117.7 . . ?
C22C C23C H23C 117.7 . . ?
C23C C24C C25C 117.5(10) . . ?
C23C C24C H24C 121.3 . . ?
C25C C24C H24C 121.3 . . ?
N3C C25C C24C 121.1(10) . . ?
N3C C25C H25C 119.4 . . ?
C24C C25C H25C 119.4 . . ?
C27C C26C N4C 120.4(10) . . ?
C27C C26C H26I 119.8 . . ?
N4C C26C H26I 119.8 . . ?
C26C C27C C28C 120.1(11) . . ?
C26C C27C Si2C 119.9(8) . . ?
C28C C27C Si2C 119.9(8) . . ?
C29C C28C C27C 119.2(11) . . ?
C29C C28C H28C 120.4 . . ?
C27C C28C H28C 120.4 . . ?
C28C C29C C30C 118.8(11) . . ?
C28C C29C H29C 120.6 . . ?
C30C C29C H29C 120.6 . . ?
N4C C30C C29C 123.2(11) . . ?
N4C C30C H30C 118.4 . . ?
C29C C30C H30C 118.4 . . ?
C32C C31C C35C 105.7(11) . . ?
C32C C31C Si2C 115.5(10) . . ?
C35C C31C Si2C 112.4(10) . . ?
C32C C31C H31C 107.6 . . ?
C35C C31C H31C 107.6 . . ?
Si2C C31C H31C 107.6 . . ?
C31C C32C C33C 103.7(12) . . ?
C31C C32C H32E 111.0 . . ?
C33C C32C H32E 111.0 . . ?
C31C C32C H32F 111.0 . . ?
C33C C32C H32F 111.0 . . ?
H32E C32C H32F 109.0 . . ?
C32C C33C C34C 106.1(13) . . ?
C32C C33C H33E 110.5 . . ?
C34C C33C H33E 110.5 . . ?
C32C C33C H33F 110.5 . . ?
C34C C33C H33F 110.5 . . ?
H33E C33C H33F 108.7 . . ?
C35C C34C C33C 99.8(13) . . ?
C35C C34C H34E 111.8 . . ?
C33C C34C H34E 111.8 . . ?
C35C C34C H34F 111.8 . . ?
C33C C34C H34F 111.8 . . ?
H34E C34C H34F 109.5 . . ?
C34C C35C C31C 108.4(13) . . ?
C34C C35C H35E 110.0 . . ?
C31C C35C H35E 110.0 . . ?
C34C C35C H35F 110.0 . . ?
C31C C35C H35F 110.0 . . ?
H35E C35C H35F 108.4 . . ?
C40C C36C C37C 106.6(12) . . ?
C40C C36C Si2C 114.1(9) . . ?
C37C C36C Si2C 112.5(10) . . ?
C40C C36C H36C 107.8 . . ?
C37C C36C H36C 107.8 . . ?
Si2C C36C H36C 107.8 . . ?
C38C C37C C36C 102.8(12) . . ?
C38C C37C H37E 111.2 . . ?
C36C C37C H37E 111.2 . . ?
C38C C37C H37F 111.2 . . ?
C36C C37C H37F 111.2 . . ?
H37E C37C H37F 109.1 . . ?
C39C C38C C37C 110.5(12) . . ?
C39C C38C H38H 109.6 . . ?
C37C C38C H38H 109.6 . . ?
C39C C38C H38I 109.6 . . ?
C37C C38C H38I 109.6 . . ?
H38H C38C H38I 108.1 . . ?
C38C C39C C40C 103.6(11) . . ?
C38C C39C H39E 111.0 . . ?
C40C C39C H39E 111.0 . . ?
C38C C39C H39F 111.0 . . ?
C40C C39C H39F 111.0 . . ?
H39E C39C H39F 109.0 . . ?
C36C C40C C39C 106.4(12) . . ?
C36C C40C H40H 110.4 . . ?
C39C C40C H40H 110.4 . . ?
C36C C40C H40I 110.4 . . ?
C39C C40C H40I 110.4 . . ?
H40H C40C H40I 108.6 . . ?
C2D C1D N1D 126.9(12) . . ?
C2D C1D H1D 116.5 . . ?
N1D C1D H1D 116.5 . . ?
C1D C2D C3D 116.3(13) . . ?
C1D C2D Si1D 125.0(11) . . ?
C3D C2D Si1D 117.8(10) . . ?
C2D C3D C4D 119.2(12) . . ?
C2D C3D H3D 120.4 . . ?
C4D C3D H3D 120.4 . . ?
C5D C4D C3D 117.1(13) . . ?
C5D C4D H4D 121.4 . . ?
C3D C4D H4D 121.4 . . ?
C4D C5D N1D 126.0(13) . . ?
C4D C5D H5D 117.0 . . ?
N1D C5D H5D 117.0 . . ?
N2D C6D C7D 127.6(12) . . ?
N2D C6D H6D 116.2 . . ?
C7D C6D H6D 116.2 . . ?
C6D C7D C8D 112.4(14) . . ?
C6D C7D Si1D 122.4(11) . . ?
C8D C7D Si1D 124.7(12) . . ?
C9D C8D C7D 122.1(15) . . ?
C9D C8D H8D 118.9 . . ?
C7D C8D H8D 118.9 . . ?
C8D C9D C10D 119.0(13) . . ?
C8D C9D H9D 120.5 . . ?
C10D C9D H9D 120.5 . . ?
C9D C10D N2D 126.2(14) . . ?
C9D C10D H10D 116.9 . . ?
N2D C10D H10D 116.9 . . ?
C15D C11D C12D 108.7(16) . . ?
C15D C11D Si1D 117.0(14) . . ?
C12D C11D Si1D 108.7(15) . . ?
C15D C11D H11D 107.3 . . ?
C12D C11D H11D 107.3 . . ?
Si1D C11D H11D 107.3 . . ?
C13D C12D C11D 93.4(16) . . ?
C13D C12D H12G 113.0 . . ?
C11D C12D H12G 113.0 . . ?
C13D C12D H12H 113.0 . . ?
C11D C12D H12H 113.0 . . ?
H12G C12D H12H 110.4 . . ?
C12D C13D C14D 103.7(19) . . ?
C12D C13D H13G 111.0 . . ?
C14D C13D H13G 111.0 . . ?
C12D C13D H13H 111.0 . . ?
C14D C13D H13H 111.0 . . ?
H13G C13D H13H 109.0 . . ?
C13D C14D C15D 89.2(15) . . ?
C13D C14D H1AC 113.8 . . ?
C15D C14D H1AC 113.8 . . ?
C13D C14D H14G 113.8 . . ?
C15D C14D H14G 113.8 . . ?
H1AC C14D H14G 111.0 . . ?
C11D C15D C14D 99.8(15) . . ?
C11D C15D H1AD 111.8 . . ?
C14D C15D H1AD 111.8 . . ?
C11D C15D H15G 111.8 . . ?
C14D C15D H15G 111.8 . . ?
H1AD C15D H15G 109.5 . . ?
C20D C16D C17D 101.9(18) . . ?
C20D C16D Si1D 115.5(15) . . ?
C17D C16D Si1D 111.5(14) . . ?
C20D C16D H16D 109.2 . . ?
C17D C16D H16D 109.2 . . ?
Si1D C16D H16D 109.2 . . ?
C18D C17D C16D 115.8(18) . . ?
C18D C17D H17G 108.3 . . ?
C16D C17D H17G 108.3 . . ?
C18D C17D H17H 108.3 . . ?
C16D C17D H17H 108.3 . . ?
H17G C17D H17H 107.4 . . ?
C17D C18D C19D 96.2(17) . . ?
C17D C18D H18I 112.5 . . ?
C19D C18D H18I 112.5 . . ?
C17D C18D H18J 112.5 . . ?
C19D C18D H18J 112.5 . . ?
H18I C18D H18J 110.0 . . ?
C18D C19D C20D 115.6(19) . . ?
C18D C19D H19F 108.4 . . ?
C20D C19D H19F 108.4 . . ?
C18D C19D H19G 108.4 . . ?
C20D C19D H19G 108.4 . . ?
H19F C19D H19G 107.4 . . ?
C16D C20D C19D 98.7(18) . . ?
C16D C20D H20G 112.0 . . ?
C19D C20D H20G 112.0 . . ?
C16D C20D H20H 112.0 . . ?
C19D C20D H20H 112.0 . . ?
H20G C20D H20H 109.7 . . ?
N3D C21D C22D 122.0(10) . . ?
N3D C21D H21D 119.0 . . ?
C22D C21D H21D 119.0 . . ?
C21D C22D C23D 118.4(10) . . ?
C21D C22D Si2D 119.6(8) . . ?
C23D C22D Si2D 121.5(9) . . ?
C24D C23D C22D 117.2(11) . . ?
C24D C23D H23D 121.4 . . ?
C22D C23D H23D 121.4 . . ?
C25D C24D C23D 120.3(11) . . ?
C25D C24D H24D 119.8 . . ?
C23D C24D H24D 119.8 . . ?
N3D C25D C24D 122.2(11) . . ?
N3D C25D H25D 118.9 . . ?
C24D C25D H25D 118.9 . . ?
N4D C26D C27D 123.6(11) . . ?
N4D C26D H26J 118.2 . . ?
C27D C26D H26J 118.2 . . ?
C28D C27D C26D 117.5(11) . . ?
C28D C27D Si2D 121.0(9) . . ?
C26D C27D Si2D 121.5(9) . . ?
C27D C28D C29D 117.6(11) . . ?
C27D C28D H28D 121.2 . . ?
C29D C28D H28D 121.2 . . ?
C30D C29D C28D 121.0(12) . . ?
C30D C29D H29D 119.5 . . ?
C28D C29D H29D 119.5 . . ?
C29D C30D N4D 125.9(12) . . ?
C29D C30D H30D 117.1 . . ?
N4D C30D H30D 117.1 . . ?
C35D C31D C32D 102.6(12) . . ?
C35D C31D Si2D 119.8(10) . . ?
C32D C31D Si2D 114.0(10) . . ?
C35D C31D H31D 106.5 . . ?
C32D C31D H31D 106.5 . . ?
Si2D C31D H31D 106.5 . . ?
C33D C32D C31D 105.0(13) . . ?
C33D C32D H32G 110.7 . . ?
C31D C32D H32G 110.7 . . ?
C33D C32D H32H 110.7 . . ?
C31D C32D H32H 110.7 . . ?
H32G C32D H32H 108.8 . . ?
C34D C33D C32D 107.4(14) . . ?
C34D C33D H33G 110.2 . . ?
C32D C33D H33G 110.2 . . ?
C34D C33D H33H 110.2 . . ?
C32D C33D H33H 110.2 . . ?
H33G C33D H33H 108.5 . . ?
C33D C34D C35D 109.5(14) . . ?
C33D C34D H34G 109.8 . . ?
C35D C34D H34G 109.8 . . ?
C33D C34D H34H 109.8 . . ?
C35D C34D H34H 109.8 . . ?
H34G C34D H34H 108.2 . . ?
C31D C35D C34D 103.7(13) . . ?
C31D C35D H35G 111.0 . . ?
C34D C35D H35G 111.0 . . ?
C31D C35D H35H 111.0 . . ?
C34D C35D H35H 111.0 . . ?
H35G C35D H35H 109.0 . . ?
C37D C36D C40D 103.8(14) . . ?
C37D C36D Si2D 116.7(11) . . ?
C40D C36D Si2D 110.6(10) . . ?
C37D C36D H36D 108.5 . . ?
C40D C36D H36D 108.5 . . ?
Si2D C36D H36D 108.5 . . ?
C36D C37D C38D 105.2(14) . . ?
C36D C37D H37G 110.7 . . ?
C38D C37D H37G 110.7 . . ?
C36D C37D H37H 110.7 . . ?
C38D C37D H37H 110.7 . . ?
H37G C37D H37H 108.8 . . ?
C39D C38D C37D 106.7(15) . . ?
C39D C38D H38J 110.4 . . ?
C37D C38D H38J 110.4 . . ?
C39D C38D H38K 110.4 . . ?
C37D C38D H38K 110.4 . . ?
H38J C38D H38K 108.6 . . ?
C38D C39D C40D 108.4(14) . . ?
C38D C39D H39G 110.0 . . ?
C40D C39D H39G 110.0 . . ?
C38D C39D H39H 110.0 . . ?
C40D C39D H39H 110.0 . . ?
H39G C39D H39H 108.4 . . ?
C36D C40D C39D 99.7(13) . . ?
C36D C40D H40J 111.8 . . ?
C39D C40D H40J 111.8 . . ?
C36D C40D H40K 111.8 . . ?
C39D C40D H40K 111.8 . . ?
H40J C40D H40K 109.6 . . ?
N1E C1E C2E 122.9(10) . . ?
N1E C1E H1E 118.6 . . ?
C2E C1E H1E 118.6 . . ?
C3E C2E C1E 115.3(11) . . ?
C3E C2E Si1E 125.3(9) . . ?
C1E C2E Si1E 119.3(9) . . ?
C4E C3E C2E 120.6(11) . . ?
C4E C3E H3E 119.7 . . ?
C2E C3E H3E 119.7 . . ?
C5E C4E C3E 122.3(12) . . ?
C5E C4E H4E 118.9 . . ?
C3E C4E H4E 118.9 . . ?
N1E C5E C4E 120.4(11) . . ?
N1E C5E H5E 119.8 . . ?
C4E C5E H5E 119.8 . . ?
N2E C6E C7E 124.9(10) . . ?
N2E C6E H6E 117.5 . . ?
C7E C6E H6E 117.5 . . ?
C8E C7E C6E 116.7(11) . . ?
C8E C7E Si1E 123.9(9) . . ?
C6E C7E Si1E 119.0(8) . . ?
C7E C8E C9E 119.4(12) . . ?
C7E C8E H8E 120.3 . . ?
C9E C8E H8E 120.3 . . ?
C10E C9E C8E 119.6(11) . . ?
C10E C9E H9E 120.2 . . ?
C8E C9E H9E 120.2 . . ?
C9E C10E N2E 122.8(11) . . ?
C9E C10E H10F 118.6 . . ?
N2E C10E H10F 118.6 . . ?
C15E C11E C12E 99.2(11) . . ?
C15E C11E Si1E 120.1(10) . . ?
C12E C11E Si1E 114.7(9) . . ?
C15E C11E H11E 107.3 . . ?
C12E C11E H11E 107.3 . . ?
Si1E C11E H11E 107.3 . . ?
C13E C12E C11E 111.0(12) . . ?
C13E C12E H12I 109.4 . . ?
C11E C12E H12I 109.4 . . ?
C13E C12E H12J 109.4 . . ?
C11E C12E H12J 109.4 . . ?
H12I C12E H12J 108.0 . . ?
C12E C13E C14E 102.8(12) . . ?
C12E C13E H13I 111.2 . . ?
C14E C13E H13I 111.2 . . ?
C12E C13E H13J 111.2 . . ?
C14E C13E H13J 111.2 . . ?
H13I C13E H13J 109.1 . . ?
C15E C14E C13E 104.8(12) . . ?
C15E C14E H14H 110.8 . . ?
C13E C14E H14H 110.8 . . ?
C15E C14E H14I 110.8 . . ?
C13E C14E H14I 110.8 . . ?
H14H C14E H14I 108.9 . . ?
C14E C15E C11E 107.1(12) . . ?
C14E C15E H15H 110.3 . . ?
C11E C15E H15H 110.3 . . ?
C14E C15E H1AE 110.3 . . ?
C11E C15E H1AE 110.3 . . ?
H15H C15E H1AE 108.6 . . ?
C20E C16E C17E 105.2(12) . . ?
C20E C16E Si1E 116.1(10) . . ?
C17E C16E Si1E 111.9(10) . . ?
C20E C16E H16E 107.7 . . ?
C17E C16E H16E 107.7 . . ?
Si1E C16E H16E 107.7 . . ?
C18E C17E C16E 106.7(13) . . ?
C18E C17E H17I 110.4 . . ?
C16E C17E H17I 110.4 . . ?
C18E C17E H17J 110.4 . . ?
C16E C17E H17J 110.4 . . ?
H17I C17E H17J 108.6 . . ?
C17E C18E C19E 105.5(12) . . ?
C17E C18E H18K 110.6 . . ?
C19E C18E H18K 110.6 . . ?
C17E C18E H18L 110.6 . . ?
C19E C18E H18L 110.6 . . ?
H18K C18E H18L 108.8 . . ?
C20E C19E C18E 105.6(13) . . ?
C20E C19E H19H 110.6 . . ?
C18E C19E H19H 110.6 . . ?
C20E C19E H19I 110.6 . . ?
C18E C19E H19I 110.6 . . ?
H19H C19E H19I 108.7 . . ?
C16E C20E C19E 108.6(13) . . ?
C16E C20E H20I 110.0 . . ?
C19E C20E H20I 110.0 . . ?
C16E C20E H20J 110.0 . . ?
C19E C20E H20J 110.0 . . ?
H20I C20E H20J 108.4 . . ?
N3E C21E C22E 126.4(12) . . ?
N3E C21E H21E 116.8 . . ?
C22E C21E H21E 116.8 . . ?
C21E C22E C23E 114.0(13) . . ?
C21E C22E Si2E 121.3(9) . . ?
C23E C22E Si2E 124.7(11) . . ?
C24E C23E C22E 120.6(14) . . ?
C24E C23E H23E 119.7 . . ?
C22E C23E H23E 119.7 . . ?
C23E C24E C25E 120.5(12) . . ?
C23E C24E H24E 119.8 . . ?
C25E C24E H24E 119.8 . . ?
N3E C25E C24E 117.0(13) . . ?
N3E C25E H25E 121.5 . . ?
C24E C25E H25E 121.5 . . ?
C27E C26E N4E 126.0(11) . . ?
C27E C26E H26K 117.0 . . ?
N4E C26E H26K 117.0 . . ?
C26E C27E C28E 116.0(11) . . ?
C26E C27E Si2E 123.5(9) . . ?
C28E C27E Si2E 120.4(9) . . ?
C29E C28E C27E 119.4(11) . . ?
C29E C28E H28E 120.3 . . ?
C27E C28E H28E 120.3 . . ?
C28E C29E C30E 119.3(11) . . ?
C28E C29E H29E 120.4 . . ?
C30E C29E H29E 120.4 . . ?
N4E C30E C29E 123.0(11) . . ?
N4E C30E H30E 118.5 . . ?
C29E C30E H30E 118.5 . . ?
C35E C31E C32E 107.2(13) . . ?
C35E C31E Si2E 115.9(12) . . ?
C32E C31E Si2E 113.5(11) . . ?
C35E C31E H31E 106.5 . . ?
C32E C31E H31E 106.5 . . ?
Si2E C31E H31E 106.5 . . ?
C33E C32E C31E 107.8(15) . . ?
C33E C32E H32I 110.1 . . ?
C31E C32E H32I 110.1 . . ?
C33E C32E H32J 110.1 . . ?
C31E C32E H32J 110.1 . . ?
H32I C32E H32J 108.5 . . ?
C32E C33E C34E 92.9(15) . . ?
C32E C33E H33I 113.1 . . ?
C34E C33E H33I 113.1 . . ?
C32E C33E H33J 113.1 . . ?
C34E C33E H33J 113.1 . . ?
H33I C33E H33J 110.5 . . ?
C35E C34E C33E 117.5(17) . . ?
C35E C34E H34I 107.9 . . ?
C33E C34E H34I 107.9 . . ?
C35E C34E H34J 107.9 . . ?
C33E C34E H34J 107.9 . . ?
H34I C34E H34J 107.2 . . ?
C34E C35E C31E 96.3(14) . . ?
C34E C35E H35I 112.5 . . ?
C31E C35E H35I 112.5 . . ?
C34E C35E H35J 112.5 . . ?
C31E C35E H35J 112.5 . . ?
H35I C35E H35J 110.0 . . ?
C40E C36E C37E 104.2(14) . . ?
C40E C36E Si2E 115.2(11) . . ?
C37E C36E Si2E 116.1(11) . . ?
C40E C36E H36E 106.9 . . ?
C37E C36E H36E 106.9 . . ?
Si2E C36E H36E 106.9 . . ?
C36E C37E C38E 102.8(14) . . ?
C36E C37E H37I 111.2 . . ?
C38E C37E H37I 111.2 . . ?
C36E C37E H37Z 111.2 . . ?
C38E C37E H37Z 111.2 . . ?
H37I C37E H37Z 109.1 . . ?
C39E C38E C37E 106.8(15) . . ?
C39E C38E H38L 110.4 . . ?
C37E C38E H38L 110.4 . . ?
C39E C38E H38' 110.4 . . ?
C37E C38E H38' 110.4 . . ?
H38L C38E H38' 108.6 . . ?
C38E C39E C40E 106.2(16) . . ?
C38E C39E H39I 110.5 . . ?
C40E C39E H39I 110.5 . . ?
C38E C39E H39Z 110.5 . . ?
C40E C39E H39Z 110.5 . . ?
H39I C39E H39Z 108.7 . . ?
C36E C40E C39E 110.5(15) . . ?
C36E C40E H40L 109.5 . . ?
C39E C40E H40L 109.5 . . ?
C36E C40E H40Z 109.5 . . ?
C39E C40E H40Z 109.5 . . ?
H40L C40E H40Z 108.1 . . ?
C2F C1F N1F 126.3(10) . . ?
C2F C1F H1F 116.9 . . ?
N1F C1F H1F 116.9 . . ?
C1F C2F C3F 117.3(10) . . ?
C1F C2F Si1F 122.4(8) . . ?
C3F C2F Si1F 120.2(9) . . ?
C4F C3F C2F 118.7(11) . . ?
C4F C3F H3F 120.6 . . ?
C2F C3F H3F 120.6 . . ?
C5F C4F C3F 119.4(10) . . ?
C5F C4F H4F 120.3 . . ?
C3F C4F H4F 120.3 . . ?
N1F C5F C4F 122.8(10) . . ?
N1F C5F H5F 118.6 . . ?
C4F C5F H5F 118.6 . . ?
N2F C6F C7F 126.3(10) . . ?
N2F C6F H6F 116.9 . . ?
C7F C6F H6F 116.9 . . ?
C6F C7F C8F 113.2(10) . . ?
C6F C7F Si1F 121.7(9) . . ?
C8F C7F Si1F 125.0(8) . . ?
C9F C8F C7F 122.8(10) . . ?
C9F C8F H8F 118.6 . . ?
C7F C8F H8F 118.6 . . ?
C8F C9F C10F 118.4(11) . . ?
C8F C9F H9F 120.8 . . ?
C10F C9F H9F 120.8 . . ?
N2F C10F C9F 122.9(11) . . ?
N2F C10F H10G 118.6 . . ?
C9F C10F H10G 118.6 . . ?
C15F C11F C12F 102.7(10) . . ?
C15F C11F Si1F 118.3(10) . . ?
C12F C11F Si1F 112.4(9) . . ?
C15F C11F H11F 107.7 . . ?
C12F C11F H11F 107.7 . . ?
Si1F C11F H11F 107.7 . . ?
C13F C12F C11F 102.1(11) . . ?
C13F C12F H12K 111.4 . . ?
C11F C12F H12K 111.4 . . ?
C13F C12F H12L 111.4 . . ?
C11F C12F H12L 111.4 . . ?
H12K C12F H12L 109.2 . . ?
C14F C13F C12F 108.4(12) . . ?
C14F C13F H13K 110.0 . . ?
C12F C13F H13K 110.0 . . ?
C14F C13F H13' 110.0 . . ?
C12F C13F H13' 110.0 . . ?
H13K C13F H13' 108.4 . . ?
C13F C14F C15F 102.8(13) . . ?
C13F C14F H14J 111.2 . . ?
C15F C14F H14J 111.2 . . ?
C13F C14F H1AF 111.2 . . ?
C15F C14F H1AF 111.2 . . ?
H14J C14F H1AF 109.1 . . ?
C14F C15F C11F 108.9(12) . . ?
C14F C15F H15X 109.9 . . ?
C11F C15F H15X 109.9 . . ?
C14F C15F H15J 109.9 . . ?
C11F C15F H15J 109.9 . . ?
H15X C15F H15J 108.3 . . ?
C14G C15G C11G 99.5(12) . . ?
C14G C15G H15Y 111.9 . . ?
C11G C15G H15Y 111.9 . . ?
C14G C15G H15L 111.9 . . ?
C11G C15G H15L 111.9 . . ?
H15Y C15G H15L 109.6 . . ?
C17F C16F C20F 103.1(12) . . ?
C17F C16F Si1F 117.0(11) . . ?
C20F C16F Si1F 119.4(10) . . ?
C17F C16F H16F 105.3 . . ?
C20F C16F H16F 105.3 . . ?
Si1F C16F H16F 105.3 . . ?
C16F C17F C18F 106.4(13) . . ?
C16F C17F H17K 110.4 . . ?
C18F C17F H17K 110.4 . . ?
C16F C17F H17L 110.4 . . ?
C18F C17F H17L 110.4 . . ?
H17K C17F H17L 108.6 . . ?
C19F C18F C17F 106.3(13) . . ?
C19F C18F H18M 110.5 . . ?
C17F C18F H18M 110.5 . . ?
C19F C18F H18N 110.5 . . ?
C17F C18F H18N 110.5 . . ?
H18M C18F H18N 108.7 . . ?
C18F C19F C20F 104.3(14) . . ?
C18F C19F H19J 110.9 . . ?
C20F C19F H19J 110.9 . . ?
C18F C19F H19K 110.9 . . ?
C20F C19F H19K 110.9 . . ?
H19J C19F H19K 108.9 . . ?
C16F C20F C19F 96.5(13) . . ?
C16F C20F H20K 112.5 . . ?
C19F C20F H20K 112.5 . . ?
C16F C20F H20L 112.5 . . ?
C19F C20F H20L 112.5 . . ?
H20K C20F H20L 110.0 . . ?
N3F C21F C22F 129.1(11) . . ?
N3F C21F H21F 115.5 . . ?
C22F C21F H21F 115.5 . . ?
C21F C22F C23F 110.8(11) . . ?
C21F C22F Si2F 121.7(9) . . ?
C23F C22F Si2F 127.4(9) . . ?
C24F C23F C22F 122.2(12) . . ?
C24F C23F H23F 118.9 . . ?
C22F C23F H23F 118.9 . . ?
C23F C24F C25F 120.0(12) . . ?
C23F C24F H24G 120.0 . . ?
C25F C24F H24G 120.0 . . ?
C24F C25F N3F 124.6(12) . . ?
C24F C25F H25H 117.7 . . ?
N3F C25F H25H 117.7 . . ?
N4F C26F C27F 124.5(10) . . ?
N4F C26F H26L 117.7 . . ?
C27F C26F H26L 117.7 . . ?
C26F C27F C28F 116.4(11) . . ?
C26F C27F Si2F 123.3(9) . . ?
C28F C27F Si2F 120.2(9) . . ?
C27F C28F C29F 120.6(12) . . ?
C27F C28F H28F 119.7 . . ?
C29F C28F H28F 119.7 . . ?
C30F C29F C28F 119.0(11) . . ?
C30F C29F H29F 120.5 . . ?
C28F C29F H29F 120.5 . . ?
N4F C30F C29F 121.2(11) . . ?
N4F C30F H30F 119.4 . . ?
C29F C30F H30F 119.4 . . ?
C35F C31F C32F 105.5(12) . . ?
C35F C31F Si2F 116.2(12) . . ?
C32F C31F Si2F 119.2(13) . . ?
C35F C31F H31F 104.8 . . ?
C32F C31F H31F 104.8 . . ?
Si2F C31F H31F 104.9 . . ?
C33F C32F C31F 107.7(13) . . ?
C33F C32F H32K 110.2 . . ?
C31F C32F H32K 110.2 . . ?
C33F C32F H32L 110.2 . . ?
C31F C32F H32L 110.2 . . ?
H32K C32F H32L 108.5 . . ?
C32F C33F C34F 105.2(14) . . ?
C32F C33F H33K 110.7 . . ?
C34F C33F H33K 110.7 . . ?
C32F C33F H33L 110.7 . . ?
C34F C33F H33L 110.7 . . ?
H33K C33F H33L 108.8 . . ?
C35F C34F C33F 105.9(14) . . ?
C35F C34F H34K 110.5 . . ?
C33F C34F H34K 110.5 . . ?
C35F C34F H34L 110.5 . . ?
C33F C34F H34L 110.5 . . ?
H34K C34F H34L 108.7 . . ?
C34F C35F C31F 108.8(13) . . ?
C34F C35F H35K 109.9 . . ?
C31F C35F H35K 109.9 . . ?
C34F C35F H35L 109.9 . . ?
C31F C35F H35L 109.9 . . ?
H35K C35F H35L 108.3 . . ?
C37F C36F C40F 104.5(16) . . ?
C37F C36F Si2F 115.4(12) . . ?
C40F C36F Si2F 113.5(12) . . ?
C37F C36F H36F 107.7 . . ?
C40F C36F H36F 107.7 . . ?
Si2F C36F H36F 107.7 . . ?
C38F C37F C36F 113.9(18) . . ?
C38F C37F H37Y 108.8 . . ?
C36F C37F H37Y 108.8 . . ?
C38F C37F H37K 108.8 . . ?
C36F C37F H37K 108.8 . . ?
H37Y C37F H37K 107.7 . . ?
C36G C37G C38G 101.0(14) . . ?
C36G C37G H37L 111.6 . . ?
C38G C37G H37L 111.6 . . ?
C36G C37G H37M 111.6 . . ?
C38G C37G H37M 111.6 . . ?
H37L C37G H37M 109.4 . . ?
C37F C38F C39F 97.9(17) . . ?
C37F C38F H38T 112.2 . . ?
C39F C38F H38T 112.2 . . ?
C37F C38F H38N 112.2 . . ?
C39F C38F H38N 112.2 . . ?
H38T C38F H38N 109.8 . . ?
C40F C39F C38F 105.4(18) . . ?
C40F C39F H39Y 110.7 . . ?
C38F C39F H39Y 110.7 . . ?
C40F C39F H39K 110.7 . . ?
C38F C39F H39K 110.7 . . ?
H39Y C39F H39K 108.8 . . ?
C39F C40F C36F 99.1(16) . . ?
C39F C40F H40T 111.9 . . ?
C36F C40F H40T 111.9 . . ?
C39F C40F H40N 111.9 . . ?
C36F C40F H40N 111.9 . . ?
H40T C40F H40N 109.6 . . ?
N1G C1G C2G 123.5(9) . . ?
N1G C1G H1G 118.3 . . ?
C2G C1G H1G 118.3 . . ?
C3G C2G C1G 118.4(10) . . ?
C3G C2G Si1G 123.1(8) . . ?
C1G C2G Si1G 118.5(8) . . ?
C2G C3G C4G 118.6(10) . . ?
C2G C3G H3G 120.7 . . ?
C4G C3G H3G 120.7 . . ?
C5G C4G C3G 120.6(10) . . ?
C5G C4G H4G 119.7 . . ?
C3G C4G H4G 119.7 . . ?
C4G C5G N1G 123.4(10) . . ?
C4G C5G H5G 118.3 . . ?
N1G C5G H5G 118.3 . . ?
N2G C6G C7G 122.5(9) . . ?
N2G C6G H6G 118.7 . . ?
C7G C6G H6G 118.7 . . ?
C8G C7G C6G 116.8(9) . . ?
C8G C7G Si1G 120.3(8) . . ?
C6G C7G Si1G 122.7(7) . . ?
C7G C8G C9G 121.4(10) . . ?
C7G C8G H8G 119.3 . . ?
C9G C8G H8G 119.3 . . ?
C10G C9G C8G 115.0(9) . . ?
C10G C9G H9G 122.5 . . ?
C8G C9G H9G 122.5 . . ?
N2G C10G C9G 125.5(10) . . ?
N2G C10G H10H 117.3 . . ?
C9G C10G H10H 117.3 . . ?
C12G C11G C15G 105.6(12) . . ?
C12G C11G Si1G 119.0(10) . . ?
C15G C11G Si1G 112.5(9) . . ?
C12G C11G H11G 106.3 . . ?
C15G C11G H11G 106.3 . . ?
Si1G C11G H11G 106.3 . . ?
C11G C12G C13G 105.1(12) . . ?
C11G C12G H12M 110.7 . . ?
C13G C12G H12M 110.7 . . ?
C11G C12G H12N 110.7 . . ?
C13G C12G H12N 110.7 . . ?
H12M C12G H12N 108.8 . . ?
C14G C13G C12G 103.9(12) . . ?
C14G C13G H13L 111.0 . . ?
C12G C13G H13L 111.0 . . ?
C14G C13G H13M 111.0 . . ?
C12G C13G H13M 111.0 . . ?
H13L C13G H13M 109.0 . . ?
C13G C14G C15G 110.4(13) . . ?
C13G C14G H14N 109.6 . . ?
C15G C14G H14N 109.6 . . ?
C13G C14G H14M 109.6 . . ?
C15G C14G H14M 109.6 . . ?
H14N C14G H14M 108.1 . . ?
C17G C16G C20G 104.0(10) . . ?
C17G C16G Si1G 117.6(9) . . ?
C20G C16G Si1G 117.1(10) . . ?
C17G C16G H16G 105.7 . . ?
C20G C16G H16G 105.7 . . ?
Si1G C16G H16G 105.7 . . ?
C16G C17G C18G 105.1(11) . . ?
C16G C17G H17M 110.7 . . ?
C18G C17G H17M 110.7 . . ?
C16G C17G H17N 110.7 . . ?
C18G C17G H17N 110.7 . . ?
H17M C17G H17N 108.8 . . ?
C19G C18G C17G 104.0(12) . . ?
C19G C18G H18O 111.0 . . ?
C17G C18G H18O 111.0 . . ?
C19G C18G H18P 111.0 . . ?
C17G C18G H18P 111.0 . . ?
H18O C18G H18P 109.0 . . ?
C18G C19G C20G 104.1(13) . . ?
C18G C19G H19L 110.9 . . ?
C20G C19G H19L 110.9 . . ?
C18G C19G H19M 110.9 . . ?
C20G C19G H19M 110.9 . . ?
H19L C19G H19M 108.9 . . ?
C19G C20G C16G 109.2(12) . . ?
C19G C20G H20M 109.8 . . ?
C16G C20G H20M 109.8 . . ?
C19G C20G H20N 109.8 . . ?
C16G C20G H20N 109.8 . . ?
H20M C20G H20N 108.3 . . ?
N3G C21G C22G 125.1(11) . . ?
N3G C21G H21G 117.4 . . ?
C22G C21G H21G 117.4 . . ?
C23G C22G C21G 115.2(11) . . ?
C23G C22G Si2G 121.1(9) . . ?
C21G C22G Si2G 123.6(9) . . ?
C22G C23G C24G 119.2(10) . . ?
C22G C23G H23G 120.4 . . ?
C24G C23G H23G 120.4 . . ?
C25G C24G C23G 121.2(12) . . ?
C25G C24G H24H 119.4 . . ?
C23G C24G H24H 119.4 . . ?
C24G C25G N3G 121.2(11) . . ?
C24G C25G H25I 119.4 . . ?
N3G C25G H25I 119.4 . . ?
N4G C26G C27G 123.5(10) . . ?
N4G C26G H26M 118.2 . . ?
C27G C26G H26M 118.2 . . ?
C26G C27G C28G 116.3(10) . . ?
C26G C27G Si2G 121.0(8) . . ?
C28G C27G Si2G 122.5(9) . . ?
C27G C28G C29G 121.2(11) . . ?
C27G C28G H28G 119.4 . . ?
C29G C28G H28G 119.4 . . ?
C30G C29G C28G 116.4(11) . . ?
C30G C29G H29G 121.8 . . ?
C28G C29G H29G 121.8 . . ?
N4G C30G C29G 124.7(10) . . ?
N4G C30G H30G 117.6 . . ?
C29G C30G H30G 117.6 . . ?
C35G C31G C32G 109.8(14) . . ?
C35G C31G Si2G 117.0(11) . . ?
C32G C31G Si2G 110.0(11) . . ?
C35G C31G H31G 106.5 . . ?
C32G C31G H31G 106.5 . . ?
Si2G C31G H31G 106.5 . . ?
C33G C32G C31G 99.6(14) . . ?
C33G C32G H32M 111.8 . . ?
C31G C32G H32M 111.8 . . ?
C33G C32G H32' 111.8 . . ?
C31G C32G H32' 111.8 . . ?
H32M C32G H32' 109.6 . . ?
C32G C33G C34G 112.2(15) . . ?
C32G C33G H33M 109.2 . . ?
C34G C33G H33M 109.2 . . ?
C32G C33G H33N 109.2 . . ?
C34G C33G H33N 109.2 . . ?
H33M C33G H33N 107.9 . . ?
C33G C34G C35G 100.7(15) . . ?
C33G C34G H34N 111.6 . . ?
C35G C34G H34N 111.6 . . ?
C33G C34G H34O 111.6 . . ?
C35G C34G H34O 111.6 . . ?
H34N C34G H34O 109.4 . . ?
C31G C35G C34G 106.2(13) . . ?
C31G C35G H35N 110.5 . . ?
C34G C35G H35N 110.5 . . ?
C31G C35G H35O 110.5 . . ?
C34G C35G H35O 110.5 . . ?
H35N C35G H35O 108.7 . . ?
C37G C36G C40G 101.7(13) . . ?
C37G C36G Si2G 116.5(11) . . ?
C40G C36G Si2G 115.8(11) . . ?
C37G C36G H36G 107.4 . . ?
C40G C36G H36G 107.4 . . ?
Si2G C36G H36G 107.4 . . ?
C39G C38G C37G 115.1(14) . . ?
C39G C38G H38O 108.5 . . ?
C37G C38G H38O 108.5 . . ?
C39G C38G H38P 108.5 . . ?
C37G C38G H38P 108.5 . . ?
H38O C38G H38P 107.5 . . ?
C40G C39G C38G 91.8(15) . . ?
C40G C39G H39L 113.3 . . ?
C38G C39G H39L 113.3 . . ?
C40G C39G H39M 113.3 . . ?
C38G C39G H39M 113.3 . . ?
H39L C39G H39M 110.6 . . ?
C39G C40G C36G 123.1(16) . . ?
C39G C40G H40O 106.6 . . ?
C36G C40G H40O 106.6 . . ?
C39G C40G H40P 106.6 . . ?
C36G C40G H40P 106.6 . . ?
H40O C40G H40P 106.5 . . ?
N1H C1H C2H 125.6(10) . . ?
N1H C1H H1H 117.2 . . ?
C2H C1H H1H 117.2 . . ?
C1H C2H C3H 116.2(9) . . ?
C1H C2H Si1H 120.4(8) . . ?
C3H C2H Si1H 123.3(8) . . ?
C2H C3H C4H 120.9(11) . . ?
C2H C3H H3H 119.5 . . ?
C4H C3H H3H 119.5 . . ?
C5H C4H C3H 117.5(10) . . ?
C5H C4H H4H 121.2 . . ?
C3H C4H H4H 121.2 . . ?
N1H C5H C4H 123.2(9) . . ?
N1H C5H H5H 118.4 . . ?
C4H C5H H5H 118.4 . . ?
C7H C6H N2H 124.0(10) . . ?
C7H C6H H6H 118.0 . . ?
N2H C6H H6H 118.0 . . ?
C6H C7H C8H 116.5(10) . . ?
C6H C7H Si1H 122.2(8) . . ?
C8H C7H Si1H 121.1(8) . . ?
C9H C8H C7H 121.1(10) . . ?
C9H C8H H8H 119.5 . . ?
C7H C8H H8H 119.5 . . ?
C8H C9H C10H 117.6(10) . . ?
C8H C9H H9H 121.2 . . ?
C10H C9H H9H 121.2 . . ?
N2H C10H C9H 123.8(11) . . ?
N2H C10H H10I 118.1 . . ?
C9H C10H H10I 118.1 . . ?
C15H C11H C12H 99.0(11) . . ?
C15H C11H Si1H 116.9(10) . . ?
C12H C11H Si1H 117.2(9) . . ?
C15H C11H H11H 107.7 . . ?
C12H C11H H11H 107.7 . . ?
Si1H C11H H11H 107.7 . . ?
C13H C12H C11H 114.0(12) . . ?
C13H C12H H12O 108.7 . . ?
C11H C12H H12O 108.7 . . ?
C13H C12H H12P 108.7 . . ?
C11H C12H H12P 108.7 . . ?
H12O C12H H12P 107.6 . . ?
C12H C13H C14H 96.4(13) . . ?
C12H C13H H13W 112.5 . . ?
C14H C13H H13W 112.5 . . ?
C12H C13H H13O 112.5 . . ?
C14H C13H H13O 112.5 . . ?
H13W C13H H13O 110.0 . . ?
C15H C14H C13H 114.8(14) . . ?
C15H C14H H1AG 108.6 . . ?
C13H C14H H1AG 108.6 . . ?
C15H C14H H1AH 108.6 . . ?
C13H C14H H1AH 108.6 . . ?
H1AG C14H H1AH 107.5 . . ?
C11H C15H C14H 106.8(13) . . ?
C11H C15H H15M 110.4 . . ?
C14H C15H H15M 110.4 . . ?
C11H C15H H1AI 110.4 . . ?
C14H C15H H1AI 110.4 . . ?
H15M C15H H1AI 108.6 . . ?
C17H C16H C20H 105.8(12) . . ?
C17H C16H Si1H 117.4(10) . . ?
C20H C16H Si1H 111.8(10) . . ?
C17H C16H H16H 107.1 . . ?
C20H C16H H16H 107.1 . . ?
Si1H C16H H16H 107.1 . . ?
C16H C17H C18H 107.0(13) . . ?
C16H C17H H17O 110.3 . . ?
C18H C17H H17O 110.3 . . ?
C16H C17H H17P 110.3 . . ?
C18H C17H H17P 110.3 . . ?
H17O C17H H17P 108.6 . . ?
C19H C18H C17H 103.3(13) . . ?
C19H C18H H18Q 111.1 . . ?
C17H C18H H18Q 111.1 . . ?
C19H C18H H18R 111.1 . . ?
C17H C18H H18R 111.1 . . ?
H18Q C18H H18R 109.1 . . ?
C18H C19H C20H 113.7(12) . . ?
C18H C19H H19N 108.8 . . ?
C20H C19H H19N 108.8 . . ?
C18H C19H H19O 108.8 . . ?
C20H C19H H19O 108.8 . . ?
H19N C19H H19O 107.7 . . ?
C19H C20H C16H 102.2(12) . . ?
C19H C20H H20O 111.3 . . ?
C16H C20H H20O 111.3 . . ?
C19H C20H H20P 111.3 . . ?
C16H C20H H20P 111.3 . . ?
H20O C20H H20P 109.2 . . ?
N3H C21H C22H 123.3(10) . . ?
N3H C21H H21H 118.3 . . ?
C22H C21H H21H 118.3 . . ?
C23H C22H C21H 116.8(10) . . ?
C23H C22H Si2H 122.2(8) . . ?
C21H C22H Si2H 121.0(8) . . ?
C22H C23H C24H 119.3(10) . . ?
C22H C23H H23H 120.3 . . ?
C24H C23H H23H 120.3 . . ?
C25H C24H C23H 118.6(10) . . ?
C25H C24H H24I 120.7 . . ?
C23H C24H H24I 120.7 . . ?
C24H C25H N3H 123.7(10) . . ?
C24H C25H H25J 118.2 . . ?
N3H C25H H25J 118.2 . . ?
N4H C26H C27H 123.9(10) . . ?
N4H C26H H26N 118.1 . . ?
C27H C26H H26N 118.1 . . ?
C28H C27H C26H 117.9(10) . . ?
C28H C27H Si2H 123.3(9) . . ?
C26H C27H Si2H 118.8(8) . . ?
C27H C28H C29H 120.8(11) . . ?
C27H C28H H28H 119.6 . . ?
C29H C28H H28H 119.6 . . ?
C30H C29H C28H 119.7(11) . . ?
C30H C29H H29H 120.1 . . ?
C28H C29H H29H 120.1 . . ?
C29H C30H N4H 121.0(10) . . ?
C29H C30H H30H 119.5 . . ?
N4H C30H H30H 119.5 . . ?
C32H C31H C35H 102.6(12) . . ?
C32H C31H Si2H 119.1(10) . . ?
C35H C31H Si2H 113.2(10) . . ?
C32H C31H H31H 107.0 . . ?
C35H C31H H31H 107.0 . . ?
Si2H C31H H31H 107.0 . . ?
C31H C32H C33H 102.9(13) . . ?
C31H C32H H32Q 111.2 . . ?
C33H C32H H32Q 111.2 . . ?
C31H C32H H32O 111.2 . . ?
C33H C32H H32O 111.2 . . ?
H32Q C32H H32O 109.1 . . ?
C34H C33H C32H 104.9(14) . . ?
C34H C33H H33O 110.8 . . ?
C32H C33H H33O 110.8 . . ?
C34H C33H H33P 110.8 . . ?
C32H C33H H33P 110.8 . . ?
H33O C33H H33P 108.8 . . ?
C33H C34H C35H 109.3(14) . . ?
C33H C34H H34M 109.8 . . ?
C35H C34H H34M 109.8 . . ?
C33H C34H H34P 109.8 . . ?
C35H C34H H34P 109.8 . . ?
H34M C34H H34P 108.3 . . ?
C34H C35H C31H 103.6(13) . . ?
C34H C35H H35M 111.0 . . ?
C31H C35H H35M 111.0 . . ?
C34H C35H H35P 111.0 . . ?
C31H C35H H35P 111.0 . . ?
H35M C35H H35P 109.0 . . ?
C40H C36H C37H 104.9(14) . . ?
C40H C36H Si2H 114.9(11) . . ?
C37H C36H Si2H 105.4(10) . . ?
C40H C36H H36H 110.4 . . ?
C37H C36H H36H 110.4 . . ?
Si2H C36H H36H 110.4 . . ?
C38H C37H C36H 103.6(15) . . ?
C38H C37H H37N 111.0 . . ?
C36H C37H H37N 111.0 . . ?
C38H C37H H37O 111.0 . . ?
C36H C37H H37O 111.0 . . ?
H37N C37H H37O 109.0 . . ?
C37H C38H C39H 109.8(16) . . ?
C37H C38H H38Q 109.7 . . ?
C39H C38H H38Q 109.7 . . ?
C37H C38H H38R 109.7 . . ?
C39H C38H H38R 109.7 . . ?
H38Q C38H H38R 108.2 . . ?
C38H C39H C40H 111.6(17) . . ?
C38H C39H H39N 109.3 . . ?
C40H C39H H39N 109.3 . . ?
C38H C39H H39O 109.3 . . ?
C40H C39H H39O 109.3 . . ?
H39N C39H H39O 108.0 . . ?
C36H C40H C39H 102.2(14) . . ?
C36H C40H H40Q 111.3 . . ?
C39H C40H H40Q 111.3 . . ?
C36H C40H H40R 111.3 . . ?
C39H C40H H40R 111.3 . . ?
H40Q C40H H40R 109.2 . . ?
N1I C1I C2I 127.1(10) . . ?
N1I C1I H1I 116.5 . . ?
C2I C1I H1I 116.5 . . ?
C1I C2I C3I 116.4(10) . . ?
C1I C2I Si1I 120.1(8) . . ?
C3I C2I Si1I 123.4(9) . . ?
C2I C3I C4I 116.3(11) . . ?
C2I C3I H3I 121.8 . . ?
C4I C3I H3I 121.8 . . ?
C5I C4I C3I 121.1(11) . . ?
C5I C4I H4I 119.4 . . ?
C3I C4I H4I 119.4 . . ?
C4I C5I N1I 123.6(11) . . ?
C4I C5I H5I 118.2 . . ?
N1I C5I H5I 118.2 . . ?
N2I C6I C7I 126.6(11) . . ?
N2I C6I H6I 116.7 . . ?
C7I C6I H6I 116.7 . . ?
C8I C7I C6I 115.1(11) . . ?
C8I C7I Si1I 120.5(9) . . ?
C6I C7I Si1I 124.5(9) . . ?
C7I C8I C9I 121.0(10) . . ?
C7I C8I H8I 119.5 . . ?
C9I C8I H8I 119.5 . . ?
C10I C9I C8I 119.3(11) . . ?
C10I C9I H9I 120.3 . . ?
C8I C9I H9I 120.3 . . ?
C9I C10I N2I 120.6(11) . . ?
C9I C10I H10J 119.7 . . ?
N2I C10I H10J 119.7 . . ?
C12I C11I C15I 106.3(13) . . ?
C12I C11I Si1I 126.6(13) . . ?
C15I C11I Si1I 111.7(10) . . ?
C12I C11I H11I 103.1 . . ?
C15I C11I H11I 103.1 . . ?
Si1I C11I H11I 103.1 . . ?
C11I C12I C13I 106.9(14) . . ?
C11I C12I H12Q 110.3 . . ?
C13I C12I H12Q 110.3 . . ?
C11I C12I H12R 110.3 . . ?
C13I C12I H12R 110.3 . . ?
H12Q C12I H12R 108.6 . . ?
C14I C13I C12I 101.9(15) . . ?
C14I C13I H13P 111.4 . . ?
C12I C13I H13P 111.4 . . ?
C14I C13I H13Q 111.4 . . ?
C12I C13I H13Q 111.4 . . ?
H13P C13I H13Q 109.3 . . ?
C13I C14I C15I 108.9(16) . . ?
C13I C14I H1AJ 109.9 . . ?
C15I C14I H1AJ 109.9 . . ?
C13I C14I H14Q 109.9 . . ?
C15I C14I H14Q 109.9 . . ?
H1AJ C14I H14Q 108.3 . . ?
C14I C15I C11I 101.1(13) . . ?
C14I C15I H15O 111.5 . . ?
C11I C15I H15O 111.5 . . ?
C14I C15I H15P 111.5 . . ?
C11I C15I H15P 111.5 . . ?
H15O C15I H15P 109.4 . . ?
C17I C16I C20I 94.2(14) . . ?
C17I C16I Si1I 131.0(13) . . ?
C20I C16I Si1I 112.5(10) . . ?
C17I C16I H16I 105.6 . . ?
C20I C16I H16I 105.6 . . ?
Si1I C16I H16I 105.6 . . ?
C16I C17I C18I 101.8(14) . . ?
C16I C17I H17Q 111.4 . . ?
C18I C17I H17Q 111.4 . . ?
C16I C17I H17R 111.4 . . ?
C18I C17I H17R 111.4 . . ?
H17Q C17I H17R 109.3 . . ?
C19I C18I C17I 95.3(14) . . ?
C19I C18I H18S 112.7 . . ?
C17I C18I H18S 112.7 . . ?
C19I C18I H18T 112.7 . . ?
C17I C18I H18T 112.7 . . ?
H18S C18I H18T 110.2 . . ?
C18I C19I C20I 100.8(14) . . ?
C18I C19I H19P 111.6 . . ?
C20I C19I H19P 111.6 . . ?
C18I C19I H19Q 111.6 . . ?
C20I C19I H19Q 111.6 . . ?
H19P C19I H19Q 109.4 . . ?
C16I C20I C19I 109.9(13) . . ?
C16I C20I H20Q 109.7 . . ?
C19I C20I H20Q 109.7 . . ?
C16I C20I H20R 109.7 . . ?
C19I C20I H20R 109.7 . . ?
H20Q C20I H20R 108.2 . . ?
N3I C21I C22I 126.5(9) . . ?
N3I C21I H21I 116.8 . . ?
C22I C21I H21I 116.8 . . ?
C23I C22I C21I 112.6(10) . . ?
C23I C22I Si2I 122.5(8) . . ?
C21I C22I Si2I 124.9(8) . . ?
C24I C23I C22I 121.9(10) . . ?
C24I C23I H23I 119.1 . . ?
C22I C23I H23I 119.1 . . ?
C23I C24I C25I 121.5(10) . . ?
C23I C24I H24J 119.2 . . ?
C25I C24I H24J 119.2 . . ?
C24I C25I N3I 119.2(10) . . ?
C24I C25I H25K 120.4 . . ?
N3I C25I H25K 120.4 . . ?
C27I C26I N4I 126.3(10) . . ?
C27I C26I H26O 116.8 . . ?
N4I C26I H26O 116.8 . . ?
C26I C27I C28I 117.2(11) . . ?
C26I C27I Si2I 120.4(8) . . ?
C28I C27I Si2I 122.5(9) . . ?
C29I C28I C27I 118.1(12) . . ?
C29I C28I H28I 120.9 . . ?
C27I C28I H28I 120.9 . . ?
C28I C29I C30I 121.5(11) . . ?
C28I C29I H29I 119.2 . . ?
C30I C29I H29I 119.2 . . ?
N4I C30I C29I 122.9(11) . . ?
N4I C30I H30I 118.6 . . ?
C29I C30I H30I 118.6 . . ?
C32I C31I C35I 107.6(11) . . ?
C32I C31I Si2I 110.5(9) . . ?
C35I C31I Si2I 115.0(9) . . ?
C32I C31I H31I 107.8 . . ?
C35I C31I H31I 107.8 . . ?
Si2I C31I H31I 107.8 . . ?
C31I C32I C33I 101.0(12) . . ?
C31I C32I H32P 111.6 . . ?
C33I C32I H32P 111.6 . . ?
C31I C32I H3AA 111.6 . . ?
C33I C32I H3AA 111.6 . . ?
H32P C32I H3AA 109.4 . . ?
C34I C33I C32I 109.0(12) . . ?
C34I C33I H33Q 109.9 . . ?
C32I C33I H33Q 109.9 . . ?
C34I C33I H33R 109.9 . . ?
C32I C33I H33R 109.9 . . ?
H33Q C33I H33R 108.3 . . ?
C33I C34I C35I 102.7(12) . . ?
C33I C34I H34Q 111.2 . . ?
C35I C34I H34Q 111.2 . . ?
C33I C34I H34R 111.2 . . ?
C35I C34I H34R 111.2 . . ?
H34Q C34I H34R 109.1 . . ?
C34I C35I C31I 106.6(12) . . ?
C34I C35I H35Q 110.4 . . ?
C31I C35I H35Q 110.4 . . ?
C34I C35I H35R 110.4 . . ?
C31I C35I H35R 110.4 . . ?
H35Q C35I H35R 108.6 . . ?
C40I C36I C37I 102.8(11) . . ?
C40I C36I Si2I 121.1(11) . . ?
C37I C36I Si2I 117.3(10) . . ?
C40I C36I H36I 104.6 . . ?
C37I C36I H36I 104.6 . . ?
Si2I C36I H36I 104.6 . . ?
C38I C37I C36I 102.3(12) . . ?
C38I C37I H37P 111.3 . . ?
C36I C37I H37P 111.3 . . ?
C38I C37I H37Q 111.3 . . ?
C36I C37I H37Q 111.3 . . ?
H37P C37I H37Q 109.2 . . ?
C39I C38I C37I 108.8(14) . . ?
C39I C38I H38S 109.9 . . ?
C37I C38I H38S 109.9 . . ?
C39I C38I H3AB 109.9 . . ?
C37I C38I H3AB 109.9 . . ?
H38S C38I H3AB 108.3 . . ?
C38I C39I C40I 109.8(14) . . ?
C38I C39I H39P 109.7 . . ?
C40I C39I H39P 109.7 . . ?
C38I C39I H39Q 109.7 . . ?
C40I C39I H39Q 109.7 . . ?
H39P C39I H39Q 108.2 . . ?
C36I C40I C39I 107.5(13) . . ?
C36I C40I H40S 110.2 . . ?
C39I C40I H40S 110.2 . . ?
C36I C40I H4AA 110.2 . . ?
C39I C40I H4AA 110.2 . . ?
H40S C40I H4AA 108.5 . . ?
N1J C1J C2J 123.6(10) . . ?
N1J C1J H1J 118.2 . . ?
C2J C1J H1J 118.2 . . ?
C3J C2J C1J 113.8(11) . . ?
C3J C2J Si1J 127.2(10) . . ?
C1J C2J Si1J 119.0(8) . . ?
C4J C3J C2J 121.9(12) . . ?
C4J C3J H3J 119.1 . . ?
C2J C3J H3J 119.1 . . ?
C5J C4J C3J 120.8(11) . . ?
C5J C4J H4J 119.6 . . ?
C3J C4J H4J 119.6 . . ?
C4J C5J N1J 119.7(12) . . ?
C4J C5J H5J 120.2 . . ?
N1J C5J H5J 120.2 . . ?
N2J C6J C7J 125.6(11) . . ?
N2J C6J H6J 117.2 . . ?
C7J C6J H6J 117.2 . . ?
C8J C7J C6J 114.4(11) . . ?
C8J C7J Si1J 122.8(9) . . ?
C6J C7J Si1J 122.7(9) . . ?
C9J C8J C7J 123.0(11) . . ?
C9J C8J H8J 118.5 . . ?
C7J C8J H8J 118.5 . . ?
C8J C9J C10J 117.5(11) . . ?
C8J C9J H9J 121.3 . . ?
C10J C9J H9J 121.3 . . ?
C9J C10J N2J 123.7(11) . . ?
C9J C10J H10K 118.2 . . ?
N2J C10J H10K 118.2 . . ?
C12J C11J C15J 98.0(13) . . ?
C12J C11J Si1J 118.8(13) . . ?
C15J C11J Si1J 111.0(11) . . ?
C12J C11J H11J 109.5 . . ?
C15J C11J H11J 109.5 . . ?
Si1J C11J H11J 109.5 . . ?
C11J C12J C13J 108.5(15) . . ?
C11J C12J H12S 110.0 . . ?
C13J C12J H12S 110.0 . . ?
C11J C12J H12T 110.0 . . ?
C13J C12J H12T 110.0 . . ?
H12S C12J H12T 108.4 . . ?
C12J C13J C14J 98.8(15) . . ?
C12J C13J H13R 112.0 . . ?
C14J C13J H13R 112.0 . . ?
C12J C13J H13S 112.0 . . ?
C14J C13J H13S 112.0 . . ?
H13R C13J H13S 109.7 . . ?
C15J C14J C13J 94.9(15) . . ?
C15J C14J H1AQ 112.8 . . ?
C13J C14J H1AQ 112.8 . . ?
C15J C14J H14S 112.8 . . ?
C13J C14J H14S 112.8 . . ?
H1AQ C14J H14S 110.2 . . ?
C14J C15J C11J 103.5(15) . . ?
C14J C15J H15Q 111.1 . . ?
C11J C15J H15Q 111.1 . . ?
C14J C15J H15R 111.1 . . ?
C11J C15J H15R 111.1 . . ?
H15Q C15J H15R 109.0 . . ?
C17J C16J C20J 97.5(14) . . ?
C17J C16J Si1J 121.2(12) . . ?
C20J C16J Si1J 117.3(11) . . ?
C17J C16J H16J 106.6 . . ?
C20J C16J H16J 106.6 . . ?
Si1J C16J H16J 106.6 . . ?
C16J C17J C18J 112.6(16) . . ?
C16J C17J H17S 109.1 . . ?
C18J C17J H17S 109.1 . . ?
C16J C17J H17T 109.1 . . ?
C18J C17J H17T 109.1 . . ?
H17S C17J H17T 107.8 . . ?
C19J C18J C17J 98.3(16) . . ?
C19J C18J H18U 112.1 . . ?
C17J C18J H18U 112.1 . . ?
C19J C18J H1AR 112.1 . . ?
C17J C18J H1AR 112.1 . . ?
H18U C18J H1AR 109.8 . . ?
C18J C19J C20J 114.3(16) . . ?
C18J C19J H19R 108.7 . . ?
C20J C19J H19R 108.7 . . ?
C18J C19J H19S 108.7 . . ?
C20J C19J H19S 108.7 . . ?
H19R C19J H19S 107.6 . . ?
C19J C20J C16J 99.2(15) . . ?
C19J C20J H20S 111.9 . . ?
C16J C20J H20S 111.9 . . ?
C19J C20J H20T 111.9 . . ?
C16J C20J H20T 111.9 . . ?
H20S C20J H20T 109.6 . . ?
N3J C21J C22J 123.6(10) . . ?
N3J C21J H21J 118.2 . . ?
C22J C21J H21J 118.2 . . ?
C23J C22J C21J 114.5(10) . . ?
C23J C22J Si2J 122.3(9) . . ?
C21J C22J Si2J 122.9(9) . . ?
C24J C23J C22J 120.1(11) . . ?
C24J C23J H23J 119.9 . . ?
C22J C23J H23J 119.9 . . ?
C23J C24J C25J 123.5(11) . . ?
C23J C24J H24K 118.3 . . ?
C25J C24J H24K 118.3 . . ?
N3J C25J C24J 119.5(11) . . ?
N3J C25J H25F 120.3 . . ?
C24J C25J H25F 120.2 . . ?
N4J C26J C27J 126.6(11) . . ?
N4J C26J H26P 116.7 . . ?
C27J C26J H26P 116.7 . . ?
C26J C27J C28J 117.8(11) . . ?
C26J C27J Si2J 120.1(9) . . ?
C28J C27J Si2J 122.0(10) . . ?
C27J C28J C29J 119.6(12) . . ?
C27J C28J H28J 120.2 . . ?
C29J C28J H28J 120.2 . . ?
C30J C29J C28J 117.1(11) . . ?
C30J C29J H29J 121.5 . . ?
C28J C29J H29J 121.5 . . ?
C29J C30J N4J 124.1(11) . . ?
C29J C30J H30J 118.0 . . ?
N4J C30J H30J 118.0 . . ?
C35J C31J C32J 102.6(13) . . ?
C35J C31J Si2J 119.2(12) . . ?
C32J C31J Si2J 111.2(11) . . ?
C35J C31J H31J 107.8 . . ?
C32J C31J H31J 107.8 . . ?
Si2J C31J H31J 107.8 . . ?
C33J C32J C31J 105.2(14) . . ?
C33J C32J H3AD 110.7 . . ?
C31J C32J H3AD 110.7 . . ?
C33J C32J H32S 110.7 . . ?
C31J C32J H32S 110.7 . . ?
H3AD C32J H32S 108.8 . . ?
C32J C33J C34J 110.0(14) . . ?
C32J C33J H33S 109.7 . . ?
C34J C33J H33S 109.7 . . ?
C32J C33J H33T 109.7 . . ?
C34J C33J H33T 109.7 . . ?
H33S C33J H33T 108.2 . . ?
C35J C34J C33J 99.5(14) . . ?
C35J C34J H34S 111.9 . . ?
C33J C34J H34S 111.9 . . ?
C35J C34J H34T 111.9 . . ?
C33J C34J H34T 111.9 . . ?
H34S C34J H34T 109.6 . . ?
C31J C35J C34J 113.2(14) . . ?
C31J C35J H35S 108.9 . . ?
C34J C35J H35S 108.9 . . ?
C31J C35J H35T 108.9 . . ?
C34J C35J H35T 108.9 . . ?
H35S C35J H35T 107.7 . . ?
C40J C36J C37J 106.0(13) . . ?
C40J C36J Si2J 124.3(12) . . ?
C37J C36J Si2J 111.4(10) . . ?
C40J C36J H36J 104.4 . . ?
C37J C36J H36J 104.4 . . ?
Si2J C36J H36J 104.4 . . ?
C36J C37J C38J 108.6(14) . . ?
C36J C37J H37R 110.0 . . ?
C38J C37J H37R 110.0 . . ?
C36J C37J H37S 110.0 . . ?
C38J C37J H37S 110.0 . . ?
H37R C37J H37S 108.3 . . ?
C39J C38J C37J 102.4(13) . . ?
C39J C38J H3AE 111.3 . . ?
C37J C38J H3AE 111.3 . . ?
C39J C38J H38V 111.3 . . ?
C37J C38J H38V 111.3 . . ?
H3AE C38J H38V 109.2 . . ?
C38J C39J C40J 112.7(15) . . ?
C38J C39J H39R 109.0 . . ?
C40J C39J H39R 109.0 . . ?
C38J C39J H39S 109.1 . . ?
C40J C39J H39S 109.1 . . ?
H39R C39J H39S 107.8 . . ?
C36J C40J C39J 104.8(14) . . ?
C36J C40J H4AF 110.8 . . ?
C39J C40J H4AF 110.8 . . ?
C36J C40J H40V 110.8 . . ?
C39J C40J H40V 110.8 . . ?
H4AF C40J H40V 108.9 . . ?
N1K C1K C2K 127.2(10) . . ?
N1K C1K H1K 116.4 . . ?
C2K C1K H1K 116.4 . . ?
C1K C2K C3K 115.6(10) . . ?
C1K C2K Si1K 123.2(8) . . ?
C3K C2K Si1K 121.2(9) . . ?
C4K C3K C2K 116.6(11) . . ?
C4K C3K H3K 121.7 . . ?
C2K C3K H3K 121.7 . . ?
C3K C4K C5K 121.2(11) . . ?
C3K C4K H4K 119.4 . . ?
C5K C4K H4K 119.4 . . ?
N1K C5K C4K 121.7(11) . . ?
N1K C5K H5K 119.2 . . ?
C4K C5K H5K 119.2 . . ?
N2K C6K C7K 126.5(10) . . ?
N2K C6K H6K 116.7 . . ?
C7K C6K H6K 116.7 . . ?
C6K C7K C8K 115.8(10) . . ?
C6K C7K Si1K 120.7(8) . . ?
C8K C7K Si1K 123.4(9) . . ?
C9K C8K C7K 120.9(11) . . ?
C9K C8K H8K 119.5 . . ?
C7K C8K H8K 119.5 . . ?
C8K C9K C10K 121.4(10) . . ?
C8K C9K H9K 119.3 . . ?
C10K C9K H9K 119.3 . . ?
N2K C10K C9K 118.5(10) . . ?
N2K C10K H10L 120.8 . . ?
C9K C10K H10L 120.8 . . ?
C15K C11K C12K 100.8(11) . . ?
C15K C11K Si1K 114.3(10) . . ?
C12K C11K Si1K 113.0(9) . . ?
C15K C11K H11K 109.5 . . ?
C12K C11K H11K 109.5 . . ?
Si1K C11K H11K 109.5 . . ?
C13K C12K C11K 101.5(12) . . ?
C13K C12K H12U 111.5 . . ?
C11K C12K H12U 111.5 . . ?
C13K C12K H12V 111.5 . . ?
C11K C12K H12V 111.5 . . ?
H12U C12K H12V 109.3 . . ?
C12K C13K C14K 104.4(13) . . ?
C12K C13K H13T 110.9 . . ?
C14K C13K H13T 110.9 . . ?
C12K C13K H13U 110.9 . . ?
C14K C13K H13U 110.9 . . ?
H13T C13K H13U 108.9 . . ?
C15K C14K C13K 110.0(13) . . ?
C15K C14K H1AZ 109.7 . . ?
C13K C14K H1AZ 109.7 . . ?
C15K C14K H1AY 109.7 . . ?
C13K C14K H1AY 109.7 . . ?
H1AZ C14K H1AY 108.2 . . ?
C14K C15K C11K 105.7(13) . . ?
C14K C15K H15S 110.6 . . ?
C11K C15K H15S 110.6 . . ?
C14K C15K H1AX 110.6 . . ?
C11K C15K H1AX 110.6 . . ?
H15S C15K H1AX 108.7 . . ?
C20K C16K C17K 104.2(11) . . ?
C20K C16K Si1K 110.8(9) . . ?
C17K C16K Si1K 114.2(9) . . ?
C20K C16K H16K 109.1 . . ?
C17K C16K H16K 109.1 . . ?
Si1K C16K H16K 109.1 . . ?
C18K C17K C16K 105.6(13) . . ?
C18K C17K H17U 110.6 . . ?
C16K C17K H17U 110.6 . . ?
C18K C17K H17V 110.6 . . ?
C16K C17K H17V 110.6 . . ?
H17U C17K H17V 108.8 . . ?
C19K C18K C17K 104.8(14) . . ?
C19K C18K H18W 110.8 . . ?
C17K C18K H18W 110.8 . . ?
C19K C18K H18X 110.8 . . ?
C17K C18K H18X 110.8 . . ?
H18W C18K H18X 108.9 . . ?
C18K C19K C20K 102.0(13) . . ?
C18K C19K H19T 111.4 . . ?
C20K C19K H19T 111.4 . . ?
C18K C19K H19U 111.4 . . ?
C20K C19K H19U 111.4 . . ?
H19T C19K H19U 109.2 . . ?
C16K C20K C19K 106.3(12) . . ?
C16K C20K H20U 110.5 . . ?
C19K C20K H20U 110.5 . . ?
C16K C20K H20V 110.5 . . ?
C19K C20K H20V 110.5 . . ?
H20U C20K H20V 108.7 . . ?
C22K C21K N3K 123.9(10) . . ?
C22K C21K H21K 118.1 . . ?
N3K C21K H21K 118.1 . . ?
C21K C22K C23K 118.3(10) . . ?
C21K C22K Si2K 122.2(8) . . ?
C23K C22K Si2K 119.5(8) . . ?
C24K C23K C22K 118.4(10) . . ?
C24K C23K H23K 120.8 . . ?
C22K C23K H23K 120.8 . . ?
C25K C24K C23K 118.8(10) . . ?
C25K C24K H24L 120.6 . . ?
C23K C24K H24L 120.6 . . ?
C24K C25K N3K 124.2(10) . . ?
C24K C25K H25N 117.9 . . ?
N3K C25K H25N 117.9 . . ?
N4K C26K C27K 125.2(10) . . ?
N4K C26K H26Q 117.4 . . ?
C27K C26K H26Q 117.4 . . ?
C28K C27K C26K 117.7(10) . . ?
C28K C27K Si2K 123.3(9) . . ?
C26K C27K Si2K 118.9(8) . . ?
C27K C28K C29K 119.2(11) . . ?
C27K C28K H28K 120.4 . . ?
C29K C28K H28K 120.4 . . ?
C30K C29K C28K 118.7(10) . . ?
C30K C29K H29K 120.7 . . ?
C28K C29K H29K 120.7 . . ?
N4K C30K C29K 121.5(10) . . ?
N4K C30K H30K 119.2 . . ?
C29K C30K H30K 119.2 . . ?
C32K C31K C35K 103.7(12) . . ?
C32K C31K Si2K 121.0(10) . . ?
C35K C31K Si2K 115.2(9) . . ?
C32K C31K H31K 105.2 . . ?
C35K C31K H31K 105.2 . . ?
Si2K C31K H31K 105.2 . . ?
C31K C32K C33K 101.8(12) . . ?
C31K C32K H32T 111.4 . . ?
C33K C32K H32T 111.4 . . ?
C31K C32K H32U 111.4 . . ?
C33K C32K H32U 111.4 . . ?
H32T C32K H32U 109.3 . . ?
C34K C33K C32K 106.0(12) . . ?
C34K C33K H33U 110.5 . . ?
C32K C33K H33U 110.5 . . ?
C34K C33K H33V 110.5 . . ?
C32K C33K H33V 110.5 . . ?
H33U C33K H33V 108.7 . . ?
C35K C34K C33K 110.4(13) . . ?
C35K C34K H34U 109.6 . . ?
C33K C34K H34U 109.6 . . ?
C35K C34K H34V 109.6 . . ?
C33K C34K H34V 109.6 . . ?
H34U C34K H34V 108.1 . . ?
C34K C35K C31K 105.8(12) . . ?
C34K C35K H35U 110.6 . . ?
C31K C35K H35U 110.6 . . ?
C34K C35K H35V 110.6 . . ?
C31K C35K H35V 110.6 . . ?
H35U C35K H35V 108.7 . . ?
C40K C36K C37K 103.0(12) . . ?
C40K C36K Si2K 115.2(10) . . ?
C37K C36K Si2K 109.6(10) . . ?
C40K C36K H36K 109.6 . . ?
C37K C36K H36K 109.6 . . ?
Si2K C36K H36K 109.6 . . ?
C38K C37K C36K 105.8(13) . . ?
C38K C37K H37T 110.6 . . ?
C36K C37K H37T 110.6 . . ?
C38K C37K H37U 110.6 . . ?
C36K C37K H37U 110.6 . . ?
H37T C37K H37U 108.7 . . ?
C39K C38K C37K 106.0(12) . . ?
C39K C38K H38W 110.5 . . ?
C37K C38K H38W 110.5 . . ?
C39K C38K H38X 110.5 . . ?
C37K C38K H38X 110.5 . . ?
H38W C38K H38X 108.7 . . ?
C40K C39K C38K 109.9(14) . . ?
C40K C39K H39T 109.7 . . ?
C38K C39K H39T 109.7 . . ?
C40K C39K H39U 109.7 . . ?
C38K C39K H39U 109.7 . . ?
H39T C39K H39U 108.2 . . ?
C39K C40K C36K 109.0(13) . . ?
C39K C40K H40W 109.9 . . ?
C36K C40K H40W 109.9 . . ?
C39K C40K H40X 109.9 . . ?
C36K C40K H40X 109.9 . . ?
H40W C40K H40X 108.3 . . ?
N1L C1L C2L 120.7(10) . . ?
N1L C1L H1L 119.6 . . ?
C2L C1L H1L 119.6 . . ?
C3L C2L C1L 118.1(10) . . ?
C3L C2L Si1L 124.1(9) . . ?
C1L C2L Si1L 117.8(8) . . ?
C2L C3L C4L 118.6(11) . . ?
C2L C3L H3L 120.7 . . ?
C4L C3L H3L 120.7 . . ?
C5L C4L C3L 119.9(11) . . ?
C5L C4L H4L 120.0 . . ?
C3L C4L H4L 120.0 . . ?
C4L C5L N1L 124.3(11) . . ?
C4L C5L H5L 117.8 . . ?
N1L C5L H5L 117.8 . . ?
N2L C6L C7L 126.2(9) . . ?
N2L C6L H6L 116.9 . . ?
C7L C6L H6L 116.9 . . ?
C6L C7L C8L 115.4(10) . . ?
C6L C7L Si1L 122.8(8) . . ?
C8L C7L Si1L 121.7(8) . . ?
C9L C8L C7L 119.9(10) . . ?
C9L C8L H8L 120.1 . . ?
C7L C8L H8L 120.1 . . ?
C10L C9L C8L 118.9(10) . . ?
C10L C9L H9L 120.6 . . ?
C8L C9L H9L 120.6 . . ?
C9L C10L N2L 124.0(10) . . ?
C9L C10L H10M 118.0 . . ?
N2L C10L H10M 118.0 . . ?
C12L C11L C15L 105.1(12) . . ?
C12L C11L Si1L 117.4(10) . . ?
C15L C11L Si1L 112.4(10) . . ?
C12L C11L H11L 107.1 . . ?
C15L C11L H11L 107.1 . . ?
Si1L C11L H11L 107.1 . . ?
C13L C12L C11L 108.1(13) . . ?
C13L C12L H12W 110.1 . . ?
C11L C12L H12W 110.1 . . ?
C13L C12L H12$ 110.1 . . ?
C11L C12L H12$ 110.1 . . ?
H12W C12L H12$ 108.4 . . ?
C12L C13L C14L 106.6(15) . . ?
C12L C13L H13Z 110.4 . . ?
C14L C13L H13Z 110.4 . . ?
C12L C13L H13V 110.4 . . ?
C14L C13L H13V 110.4 . . ?
H13Z C13L H13V 108.6 . . ?
C15L C14L C13L 105.0(13) . . ?
C15L C14L H1BA 110.7 . . ?
C13L C14L H1BA 110.7 . . ?
C15L C14L H1BB 110.7 . . ?
C13L C14L H1BB 110.7 . . ?
H1BA C14L H1BB 108.8 . . ?
C14L C15L C11L 103.8(13) . . ?
C14L C15L H1BC 111.0 . . ?
C11L C15L H1BC 111.0 . . ?
C14L C15L H15U 111.0 . . ?
C11L C15L H15U 111.0 . . ?
H1BC C15L H15U 109.0 . . ?
C20L C16L C17L 104.0(13) . . ?
C20L C16L Si1L 114.1(9) . . ?
C17L C16L Si1L 115.6(9) . . ?
C20L C16L H16L 107.6 . . ?
C17L C16L H16L 107.6 . . ?
Si1L C16L H16L 107.6 . . ?
C16L C17L C18L 104.3(12) . . ?
C16L C17L H17W 110.9 . . ?
C18L C17L H17W 110.9 . . ?
C16L C17L H17X 110.9 . . ?
C18L C17L H17X 110.9 . . ?
H17W C17L H17X 108.9 . . ?
C19L C18L C17L 104.1(15) . . ?
C19L C18L H18Y 110.9 . . ?
C17L C18L H18Y 110.9 . . ?
C19L C18L H18Z 110.9 . . ?
C17L C18L H18Z 110.9 . . ?
H18Y C18L H18Z 109.0 . . ?
C20L C19L C18L 101.2(13) . . ?
C20L C19L H1BD 111.5 . . ?
C18L C19L H1BD 111.5 . . ?
C20L C19L H19W 111.5 . . ?
C18L C19L H19W 111.5 . . ?
H1BD C19L H19W 109.3 . . ?
C19L C20L C16L 109.9(13) . . ?
C19L C20L H20W 109.7 . . ?
C16L C20L H20W 109.7 . . ?
C19L C20L H20X 109.7 . . ?
C16L C20L H20X 109.7 . . ?
H20W C20L H20X 108.2 . . ?
N3L C21L C22L 122.1(9) . . ?
N3L C21L H21L 119.0 . . ?
C22L C21L H21L 119.0 . . ?
C23L C22L C21L 117.1(10) . . ?
C23L C22L Si2L 121.0(8) . . ?
C21L C22L Si2L 121.9(7) . . ?
C24L C23L C22L 120.9(10) . . ?
C24L C23L H23L 119.5 . . ?
C22L C23L H23L 119.5 . . ?
C23L C24L C25L 119.9(10) . . ?
C23L C24L H24M 120.1 . . ?
C25L C24L H24M 120.1 . . ?
N3L C25L C24L 122.9(10) . . ?
N3L C25L H25O 118.5 . . ?
C24L C25L H25O 118.5 . . ?
N4L C26L C27L 126.3(10) . . ?
N4L C26L H26R 116.9 . . ?
C27L C26L H26R 116.9 . . ?
C28L C27L C26L 113.6(10) . . ?
C28L C27L Si2L 124.4(8) . . ?
C26L C27L Si2L 122.0(8) . . ?
C27L C28L C29L 123.1(10) . . ?
C27L C28L H28L 118.4 . . ?
C29L C28L H28L 118.4 . . ?
C30L C29L C28L 118.3(10) . . ?
C30L C29L H29L 120.9 . . ?
C28L C29L H29L 120.9 . . ?
N4L C30L C29L 121.0(10) . . ?
N4L C30L H30L 119.5 . . ?
C29L C30L H30L 119.5 . . ?
C35L C31L C32L 109.5(10) . . ?
C35L C31L Si2L 112.6(10) . . ?
C32L C31L Si2L 109.4(9) . . ?
C35L C31L H31L 108.4 . . ?
C32L C31L H31L 108.4 . . ?
Si2L C31L H31L 108.4 . . ?
C33L C32L C31L 98.5(12) . . ?
C33L C32L H32V 112.1 . . ?
C31L C32L H32V 112.1 . . ?
C33L C32L H32W 112.1 . . ?
C31L C32L H32W 112.1 . . ?
H32V C32L H32W 109.7 . . ?
C34L C33L C32L 111.5(13) . . ?
C34L C33L H33W 109.3 . . ?
C32L C33L H33W 109.3 . . ?
C34L C33L H33X 109.3 . . ?
C32L C33L H33X 109.3 . . ?
H33W C33L H33X 108.0 . . ?
C33L C34L C35L 107.4(13) . . ?
C33L C34L H34W 110.2 . . ?
C35L C34L H34W 110.2 . . ?
C33L C34L H34X 110.2 . . ?
C35L C34L H34X 110.2 . . ?
H34W C34L H34X 108.5 . . ?
C31L C35L C34L 100.3(12) . . ?
C31L C35L H35W 111.7 . . ?
C34L C35L H35W 111.7 . . ?
C31L C35L H35X 111.7 . . ?
C34L C35L H35X 111.7 . . ?
H35W C35L H35X 109.5 . . ?
C37L C36L C40L 103.8(11) . . ?
C37L C36L Si2L 113.6(9) . . ?
C40L C36L Si2L 116.3(9) . . ?
C37L C36L H36L 107.6 . . ?
C40L C36L H36L 107.6 . . ?
Si2L C36L H36L 107.6 . . ?
C36L C37L C38L 105.6(12) . . ?
C36L C37L H37V 110.6 . . ?
C38L C37L H37V 110.6 . . ?
C36L C37L H37W 110.6 . . ?
C38L C37L H37W 110.6 . . ?
H37V C37L H37W 108.8 . . ?
C39L C38L C37L 106.5(12) . . ?
C39L C38L H38Y 110.4 . . ?
C37L C38L H38Y 110.4 . . ?
C39L C38L H38Z 110.4 . . ?
C37L C38L H38Z 110.4 . . ?
H38Y C38L H38Z 108.6 . . ?
C40L C39L C38L 109.8(13) . . ?
C40L C39L H39V 109.7 . . ?
C38L C39L H39V 109.7 . . ?
C40L C39L H39W 109.7 . . ?
C38L C39L H39W 109.7 . . ?
H39V C39L H39W 108.2 . . ?
C39L C40L C36L 105.6(12) . . ?
C39L C40L H40Y 127.2 . . ?
C36L C40L H40Y 127.2 . . ?
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
Co1A N1A 2.141(10) . ?
Co1A N2F 2.154(9) . ?
Co1A N1 2.157(10) . ?
Co1A N4F 2.158(10) . ?
Co1A N2 2.162(9) . ?
Co1A N3A 2.184(9) . ?
Cl1A O2A 1.244(11) . ?
Cl1A O1A 1.363(8) . ?
Cl1A O4A 1.417(9) . ?
Cl1A O3A 1.540(12) . ?
Cl1B O3B 1.358(9) . ?
Cl1B O4B 1.432(7) . ?
Cl1B O2B 1.436(10) . ?
Cl1B O1B 1.451(7) . ?
Si2A C27A 1.826(13) . ?
Si2A C22A 1.890(12) . ?
Si2A C36A 1.911(16) . ?
Si2A C31A 1.946(16) . ?
Si2C C22C 1.841(11) . ?
Si2C C31C 1.891(13) . ?
Si2C C36C 1.915(12) . ?
Si2C C27C 1.954(12) . ?
O9A Cl3A 1.416(9) . ?
O9A Co5A 2.262(8) . ?
C11 N58 1.072(16) . ?
C11 C384 1.53(2) . ?
O10A Cl3A 1.405(11) . ?
Si2E C31E 1.842(16) . ?
Si2E C22E 1.848(15) . ?
Si2E C27E 1.870(12) . ?
Si2E C36E 1.879(16) . ?
O11A Cl3A 1.495(11) . ?
Si1F C11F 1.841(12) . ?
Si1F C7F 1.860(12) . ?
Si1F C2F 1.865(11) . ?
Si1F C16F 1.873(13) . ?
O12A Cl3A 1.378(10) . ?
Si2F C31F 1.848(16) . ?
Si2F C22F 1.856(13) . ?
Si2F C27F 1.886(12) . ?
Si2F C36F 1.961(16) . ?
Co5B N2J 2.099(9) . ?
Co5B N61 2.128(9) . ?
Co5B N1K 2.139(9) . ?
Co5B N3K 2.156(8) . ?
Co5B N4J 2.160(10) . ?
Co5B O9B 2.182(8) . ?
Cl5 O18 1.375(17) . ?
Cl5 O17 1.38(2) . ?
Cl5 O19 1.402(17) . ?
Cl5 O20 1.408(15) . ?
Co2A O53 2.106(8) . ?
Co2A N4A 2.109(9) . ?
Co2A N1B 2.121(8) . ?
Co2A N2A 2.162(10) . ?
Co2A N3B 2.168(10) . ?
Co2A O1A 2.187(8) . ?
Co3B N3I 2.127(9) . ?
Co3B N58 2.131(9) . ?
Co3B N1I 2.140(9) . ?
Co3B N4H 2.146(9) . ?
Co3B N2H 2.163(8) . ?
Co3B O5B 2.217(7) . ?
Cl3B O11B 1.293(11) . ?
Cl3B O12B 1.364(9) . ?
Cl3B O10B 1.372(15) . ?
Cl3B O9B 1.419(8) . ?
O3 Cl1 1.302(12) . ?
Co3A O82 2.075(7) . ?
Co3A N3C 2.134(8) . ?
Co3A N4B 2.145(9) . ?
Co3A N1C 2.146(9) . ?
Co3A N2B 2.151(8) . ?
Co3A O5A 2.221(6) . ?
Co2B N1H 2.126(9) . ?
Co2B O81 2.128(7) . ?
Co2B N3H 2.155(8) . ?
Co2B N4G 2.164(9) . ?
Co2B N2G 2.184(8) . ?
Co2B O1B 2.216(7) . ?
Cl2 O8 1.366(14) . ?
Cl2 O5 1.418(15) . ?
Cl2 O7 1.424(17) . ?
Cl2 O6 1.432(17) . ?
Cl2A O7A 1.396(9) . ?
Cl2A O6A 1.399(8) . ?
Cl2A O8A 1.431(9) . ?
Cl2A O5A 1.442(7) . ?
Cl2B O8B 1.390(10) . ?
Cl2B O6B 1.404(9) . ?
Cl2B O7B 1.422(11) . ?
Cl2B O5B 1.442(7) . ?
Co4A N1D 2.103(10) . ?
Co4A N4C 2.144(9) . ?
Co4A N2C 2.149(9) . ?
Co4A N4 2.150(10) . ?
Co4A N3 2.162(9) . ?
Co4A N3D 2.179(9) . ?
Co1B N37 2.129(8) . ?
Co1B N2L 2.148(8) . ?
Co1B N4L 2.156(9) . ?
Co1B N3G 2.164(8) . ?
Co1B N39 2.171(9) . ?
Co1B N1G 2.177(9) . ?
Cl1 O2 1.378(14) . ?
Cl1 O1 1.412(11) . ?
Cl1 O4 1.49(2) . ?
Co6A N1F 2.109(10) . ?
Co6A N3F 2.135(10) . ?
Co6A N59 2.145(10) . ?
Co6A N2E 2.147(9) . ?
Co6A N4E 2.148(9) . ?
Co6A O13A 2.234(7) . ?
Co6B N3L 2.126(8) . ?
Co6B N57 2.128(8) . ?
Co6B N4K 2.137(9) . ?
Co6B N1L 2.149(9) . ?
Co6B N2K 2.155(9) . ?
Co6B O13B 2.183(7) . ?
Cl6 O22 1.334(13) . ?
Cl6 O21 1.362(12) . ?
Cl6 O24 1.433(15) . ?
Cl6 O23 1.436(10) . ?
C7 N57 1.178(11) . ?
C7 C8 1.484(11) . ?
Co4B N56 2.117(8) . ?
Co4B N4I 2.133(10) . ?
Co4B N3J 2.154(8) . ?
Co4B N2I 2.160(9) . ?
Co4B N1J 2.164(10) . ?
Co4B N38 2.170(8) . ?
Cl4 O13 1.324(13) . ?
Cl4 O16 1.359(12) . ?
Cl4 O15 1.379(12) . ?
Cl4 O14 1.83(3) . ?
Cl4A O16A 1.403(10) . ?
Cl4A O14A 1.415(10) . ?
Cl4A O13A 1.441(8) . ?
Cl4A O15A 1.494(10) . ?
Cl4B O14B 1.412(8) . ?
Cl4B O16B 1.420(9) . ?
Cl4B O15B 1.453(9) . ?
Cl4B O13B 1.456(7) . ?
Cl20 O72 1.395(9) . ?
Cl20 O70 1.407(10) . ?
Cl20 O71 1.447(9) . ?
Cl20 O73 1.502(14) . ?
Si1A C7A 1.836(13) . ?
Si1A C16A 1.861(16) . ?
Si1A C2A 1.901(13) . ?
Si1A C11A 1.970(19) . ?
Si1B C16B 1.868(12) . ?
Si1B C2B 1.872(11) . ?
Si1B C11B 1.883(13) . ?
Si1B C7B 1.901(10) . ?
Si2B C36B 1.840(14) . ?
Si2B C22B 1.879(11) . ?
Si2B C31B 1.912(14) . ?
Si2B C27B 1.914(12) . ?
Si1C C11C 1.871(12) . ?
Si1C C16C 1.875(13) . ?
Si1C C7C 1.881(12) . ?
Si1C C2C 1.905(12) . ?
Si1D C11D 1.74(2) . ?
Si1D C7D 1.798(17) . ?
Si1D C16D 1.85(2) . ?
Si1D C2D 1.894(15) . ?
Si2D C27D 1.871(12) . ?
Si2D C31D 1.888(14) . ?
Si2D C22D 1.892(12) . ?
Si2D C36D 1.923(14) . ?
Si1E C2E 1.852(12) . ?
Si1E C11E 1.863(13) . ?
Si1E C16E 1.892(13) . ?
Si1E C7E 1.913(13) . ?
Si2L C27L 1.872(11) . ?
Si2L C31L 1.889(12) . ?
Si2L C22L 1.897(11) . ?
Si2L C36L 1.913(12) . ?
Si1L C11L 1.836(14) . ?
Si1L C2L 1.868(11) . ?
Si1L C7L 1.883(11) . ?
Si1L C16L 1.927(13) . ?
Si1G C16G 1.807(12) . ?
Si1G C11G 1.884(13) . ?
Si1G C7G 1.896(11) . ?
Si1G C2G 1.915(11) . ?
Si2G C27G 1.874(11) . ?
Si2G C31G 1.884(16) . ?
Si2G C22G 1.887(12) . ?
Si2G C36G 1.913(14) . ?
Si2H C22H 1.863(12) . ?
Si2H C36H 1.921(15) . ?
Si2H C27H 1.924(11) . ?
Si2H C31H 1.925(15) . ?
Si1H C16H 1.862(13) . ?
Si1H C11H 1.873(14) . ?
Si1H C2H 1.881(10) . ?
Si1H C7H 1.901(11) . ?
Si2I C36I 1.823(14) . ?
Si2I C22I 1.859(12) . ?
Si2I C27I 1.868(12) . ?
Si2I C31I 1.898(11) . ?
Si1I C16I 1.763(14) . ?
Si1I C2I 1.857(12) . ?
Si1I C11I 1.858(16) . ?
Si1I C7I 1.887(13) . ?
Si2K C31K 1.867(13) . ?
Si2K C36K 1.879(13) . ?
Si2K C27K 1.887(11) . ?
Si2K C22K 1.933(12) . ?
Si1K C7K 1.881(11) . ?
Si1K C2K 1.891(12) . ?
Si1K C16K 1.894(13) . ?
Si1K C11K 1.900(14) . ?
Si2J C22J 1.845(12) . ?
Si2J C36J 1.851(15) . ?
Si2J C31J 1.892(16) . ?
Si2J C27J 1.914(13) . ?
Si1J C2J 1.859(13) . ?
Si1J C16J 1.862(15) . ?
Si1J C11J 1.867(17) . ?
Si1J C7J 1.875(12) . ?
Cl13 O50 1.39(3) . ?
Cl13 O52 1.47(3) . ?
Cl13 O51 1.53(3) . ?
Cl13 O49 1.57(3) . ?
O10B O11B 1.71(2) . ?
N1 C1 1.093(16) . ?
N2 C3 1.158(14) . ?
N3 C97 1.106(14) . ?
N4 C95 1.105(15) . ?
N4F C26F 1.328(14) . ?
N4F C30F 1.338(13) . ?
N1A C1A 1.301(14) . ?
N1A C5A 1.380(15) . ?
N2A C6A 1.350(15) . ?
N2A C10A 1.359(16) . ?
N1B C5B 1.363(13) . ?
N1B C1B 1.379(13) . ?
N4A C26A 1.337(15) . ?
N4A C30A 1.363(14) . ?
N3B C25B 1.275(14) . ?
N3B C21B 1.339(13) . ?
N1F C1F 1.358(14) . ?
N1F C5F 1.366(14) . ?
N3F C21F 1.293(15) . ?
N3F C25F 1.382(15) . ?
N4E C30E 1.310(14) . ?
N4E C26E 1.346(14) . ?
N2E C6E 1.328(14) . ?
N2E C10E 1.368(14) . ?
N1E C5E 1.330(15) . ?
N1E C1E 1.386(15) . ?
N1E Co5A 2.155(10) . ?
N4D C30D 1.319(15) . ?
N4D C26D 1.391(14) . ?
N4D Co5A 2.109(10) . ?
N3E C25E 1.305(16) . ?
N3E C21E 1.328(16) . ?
N3E Co5A 2.163(11) . ?
N2D C6D 1.379(17) . ?
N2D C10D 1.387(16) . ?
N2D Co5A 2.122(12) . ?
N1D C5D 1.370(15) . ?
N1D C1D 1.402(16) . ?
N4C C30C 1.314(13) . ?
N4C C26C 1.365(14) . ?
N1C C5C 1.351(12) . ?
N1C C1C 1.353(13) . ?
N3C C21C 1.325(13) . ?
N3C C25C 1.356(14) . ?
N4B C30B 1.351(13) . ?
N4B C26B 1.388(13) . ?
N2B C6B 1.323(12) . ?
N2B C10B 1.371(14) . ?
N4G C30G 1.335(14) . ?
N4G C26G 1.352(13) . ?
N3H C21H 1.336(14) . ?
N3H C25H 1.371(13) . ?
N1H C1H 1.350(12) . ?
N1H C5H 1.372(13) . ?
N2G C6G 1.309(13) . ?
N2G C10G 1.310(12) . ?
N37 C259 1.148(13) . ?
N38 C184 1.147(13) . ?
N39 C261 1.119(14) . ?
N1G C5G 1.352(13) . ?
N1G C1G 1.373(13) . ?
N3G C21G 1.315(13) . ?
N3G C25G 1.349(13) . ?
N3I C21I 1.308(14) . ?
N3I C25I 1.399(12) . ?
N3J C25J 1.324(14) . ?
N3J C21J 1.361(13) . ?
N3K C21K 1.335(13) . ?
N3K C25K 1.346(13) . ?
N3L C25L 1.345(12) . ?
N3L C21L 1.371(13) . ?
N1I C1I 1.354(14) . ?
N1I C5I 1.362(14) . ?
N1J C1J 1.296(15) . ?
N1J C5J 1.375(14) . ?
N1K C1K 1.306(13) . ?
N1K C5K 1.342(14) . ?
N1L C1L 1.333(14) . ?
N1L C5L 1.334(14) . ?
N4H C26H 1.312(13) . ?
N4H C30H 1.411(14) . ?
N2H C10H 1.320(13) . ?
N2H C6H 1.363(13) . ?
N4I C30I 1.332(14) . ?
N4I C26I 1.416(14) . ?
N4J C26J 1.331(14) . ?
N4J C30J 1.381(14) . ?
N4K C26K 1.330(14) . ?
N4K C30K 1.361(14) . ?
N4L C26L 1.330(13) . ?
N4L C30L 1.366(13) . ?
N2I C6I 1.309(14) . ?
N2I C10I 1.388(14) . ?
N2J C6J 1.329(14) . ?
N2J C10J 1.391(14) . ?
N2K C6K 1.350(13) . ?
N2K C10K 1.361(13) . ?
N2L C6L 1.327(13) . ?
N2L C10L 1.363(13) . ?
N2F C6F 1.343(14) . ?
N2F C10F 1.347(14) . ?
N3D C21D 1.336(14) . ?
N3D C25D 1.351(14) . ?
N3A C21A 1.316(14) . ?
N3A C25A 1.344(15) . ?
N2C C6C 1.318(14) . ?
N2C C10C 1.388(14) . ?
Co5A O83 2.101(9) . ?
Cl10 O39 1.404(14) . ?
Cl10 O37 1.406(17) . ?
Cl10 O40 1.441(17) . ?
Cl10 O38 1.497(15) . ?
Cl8 O30 1.276(10) . ?
Cl8 O31 1.361(13) . ?
Cl8 O32 1.394(13) . ?
Cl8 O29 1.395(15) . ?
C9 N56 1.137(10) . ?
C9 C10 1.472(11) . ?
Cl7 O25 1.338(13) . ?
Cl7 O28 1.338(12) . ?
Cl7 O27 1.492(13) . ?
Cl7 O26 1.600(19) . ?
C1 C2 1.42(2) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 H2C 0.9700 . ?
C3 C4 1.395(17) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 H4C 0.9700 . ?
C8 H8X 0.9700 . ?
C8 H8Y 0.9700 . ?
C8 H8Z 0.9700 . ?
Cl9 O36 1.337(13) . ?
Cl9 O34 1.341(11) . ?
Cl9 O33 1.344(17) . ?
Cl9 O35 1.533(16) . ?
C10 H10X 0.9700 . ?
C10 H10Y 0.9700 . ?
C10 H10Z 0.9700 . ?
Cl11 O42 1.371(10) . ?
Cl11 O41 1.393(17) . ?
Cl11 O44 1.416(12) . ?
Cl11 O43 1.449(11) . ?
Cl12 O46 1.284(13) . ?
Cl12 O47 1.351(13) . ?
Cl12 O45 1.389(15) . ?
Cl12 O48 1.68(2) . ?
N59 C327 1.147(15) . ?
N61 C407 1.031(14) . ?
C95 C96 1.435(18) . ?
C96 H96A 0.9700 . ?
C96 H96B 0.9700 . ?
C96 H96C 0.9700 . ?
C97 C98 1.559(17) . ?
C98 H98A 0.9700 . ?
C98 H98B 0.9700 . ?
C98 H98C 0.9700 . ?
C184 C185 1.462(16) . ?
C185 H18A 0.9700 . ?
C185 H18B 0.9700 . ?
C185 H18C 0.9700 . ?
C259 C260 1.468(15) . ?
C260 H26A 0.9700 . ?
C260 H26B 0.9700 . ?
C260 H26C 0.9700 . ?
C261 C262 1.422(18) . ?
C262 H26D 0.9700 . ?
C262 H26E 0.9700 . ?
C262 H26F 0.9700 . ?
C327 C430 1.479(18) . ?
C384 H38A 0.9700 . ?
C384 H38B 0.9700 . ?
C384 H38C 0.9700 . ?
C407 C408 1.57(2) . ?
C408 H40A 0.9700 . ?
C408 H40B 0.9700 . ?
C408 H40C 0.9700 . ?
C430 H43A 0.9700 . ?
C430 H43B 0.9700 . ?
C430 H43C 0.9700 . ?
C1A C2A 1.349(16) . ?
C1A H1A 0.9400 . ?
C2A C3A 1.391(17) . ?
C3A C4A 1.405(18) . ?
C3A H3A 0.9400 . ?
C4A C5A 1.316(17) . ?
C4A H4AT 0.9400 . ?
C5A H5A 0.9400 . ?
C6A C7A 1.439(18) . ?
C6A H6A 0.9400 . ?
C7A C8A 1.419(17) . ?
C8A C9A 1.276(18) . ?
C8A H8W 0.9400 . ?
C9A C10A 1.388(19) . ?
C9A H9A 0.9400 . ?
C10A H10W 0.9400 . ?
C11A C15A 1.45(2) . ?
C11A C12A 1.54(2) . ?
C11A H11A 0.9900 . ?
C12A C13A 1.47(2) . ?
C12A H12A 0.9800 . ?
C12A H12B 0.9800 . ?
C13A C14A 1.50(2) . ?
C13A H13A 0.9800 . ?
C13A H13B 0.9800 . ?
C14A C15A 1.52(2) . ?
C14A H14A 0.9800 . ?
C14A H14B 0.9800 . ?
C15A H15A 0.9800 . ?
C15A H15B 0.9800 . ?
C16A C20A 1.520(19) . ?
C16A C17A 1.548(18) . ?
C16A H16A 0.9900 . ?
C17A C18A 1.518(19) . ?
C17A H17A 0.9800 . ?
C17A H17B 0.9800 . ?
C18A C19A 1.52(2) . ?
C18A H18D 0.9800 . ?
C18A H18' 0.9800 . ?
C19A C20A 1.518(19) . ?
C19A H19A 0.9800 . ?
C19A H19Z 0.9800 . ?
C20A H20A 0.9800 . ?
C20A H20B 0.9800 . ?
C21A C22A 1.441(17) . ?
C21A H21A 0.9400 . ?
C22A C23A 1.339(17) . ?
C23A C24A 1.435(18) . ?
C23A H23A 0.9400 . ?
C24A C25A 1.383(18) . ?
C24A H24A 0.9400 . ?
C25A H25A 0.9400 . ?
C26A C27A 1.414(16) . ?
C26A H26G 0.9400 . ?
C27A C28A 1.409(17) . ?
C28A C29A 1.355(18) . ?
C28A H28A 0.9400 . ?
C29A C30A 1.401(16) . ?
C29A H29A 0.9400 . ?
C30A H30A 0.9400 . ?
C31A C35A 1.497(19) . ?
C31A C32A 1.547(18) . ?
C31A H31A 0.9900 . ?
C32A C33A 1.415(19) . ?
C32A H32A 0.9800 . ?
C32A H32B 0.9800 . ?
C33A C34A 1.49(2) . ?
C33A H33A 0.9800 . ?
C33A H33B 0.9800 . ?
C34A C35A 1.451(19) . ?
C34A H34A 0.9800 . ?
C34A H34B 0.9800 . ?
C35A H35A 0.9800 . ?
C35A H35B 0.9800 . ?
C36A C37A 1.500(19) . ?
C36A C40A 1.542(18) . ?
C36A H36A 0.9900 . ?
C37A C38A 1.522(18) . ?
C37A H37A 0.9800 . ?
C37A H37B 0.9800 . ?
C38A C39A 1.48(2) . ?
C38A H38D 0.9800 . ?
C38A H38E 0.9800 . ?
C39A C40A 1.45(2) . ?
C39A H39A 0.9800 . ?
C39A H39B 0.9800 . ?
C40A H40D 0.9800 . ?
C40A H40E 0.9800 . ?
C1B C2B 1.395(14) . ?
C1B H1B 0.9400 . ?
C2B C3B 1.409(15) . ?
C3B C4B 1.359(16) . ?
C3B H3B 0.9400 . ?
C4B C5B 1.339(15) . ?
C4B H4BA 0.9400 . ?
C5B H5B 0.9400 . ?
C6B C7B 1.354(14) . ?
C6B H6B 0.9400 . ?
C7B C8B 1.451(15) . ?
C8B C9B 1.361(15) . ?
C8B H8V 0.9400 . ?
C9B C10B 1.369(16) . ?
C9B H9B 0.9400 . ?
C10B H10V 0.9400 . ?
C11B C12B 1.431(18) . ?
C11B C15B 1.595(17) . ?
C11B H11B 0.9900 . ?
C12B C13B 1.487(19) . ?
C12B H12C 0.9800 . ?
C12B H12D 0.9800 . ?
C13B C14B 1.48(2) . ?
C13B H13C 0.9800 . ?
C13B H13D 0.9800 . ?
C14B C15B 1.61(2) . ?
C14B H14C 0.9800 . ?
C14B H14D 0.9800 . ?
C15B H15C 0.9800 . ?
C15B H15D 0.9800 . ?
C16B C17B 1.544(15) . ?
C16B C20B 1.544(17) . ?
C16B H16B 0.9900 . ?
C17B C18B 1.555(17) . ?
C17B H17C 0.9800 . ?
C17B H17D 0.9800 . ?
C18B C19B 1.564(19) . ?
C18B H1AA 0.9800 . ?
C18B H18F 0.9800 . ?
C19B C20B 1.519(17) . ?
C19B H1AB 0.9800 . ?
C19B H19C 0.9800 . ?
C20B H20C 0.9800 . ?
C20B H20D 0.9800 . ?
C21B C22B 1.368(16) . ?
C21B H21B 0.9400 . ?
C22B C23B 1.428(17) . ?
C23B C24B 1.351(16) . ?
C23B H23B 0.9400 . ?
C24B C25B 1.417(17) . ?
C24B H24B 0.9400 . ?
C25B H25B 0.9400 . ?
C26B C27B 1.363(15) . ?
C26B H26H 0.9400 . ?
C27B C28B 1.390(16) . ?
C28B C29B 1.382(17) . ?
C28B H28B 0.9400 . ?
C29B C30B 1.332(17) . ?
C29B H29B 0.9400 . ?
C30B H30B 0.9400 . ?
C31B C32B 1.54(2) . ?
C31B C35B 1.61(2) . ?
C31B H31B 0.9900 . ?
C32B C33B 1.55(2) . ?
C32B H32C 0.9800 . ?
C32B H32D 0.9800 . ?
C33B C34B 1.60(2) . ?
C33B H33C 0.9800 . ?
C33B H33D 0.9800 . ?
C34B C35B 1.57(2) . ?
C34B H34C 0.9800 . ?
C34B H34D 0.9800 . ?
C35B H35C 0.9800 . ?
C35B H35D 0.9800 . ?
C36B C40B 1.543(19) . ?
C36B C37B 1.56(2) . ?
C36B H36B 0.9900 . ?
C37B C39B 1.446(12) . ?
C37B H37C 0.9800 . ?
C37B H37D 0.9800 . ?
C38B C39B 1.453(13) . ?
C38B C40B 1.49(2) . ?
C38B H38F 0.9800 . ?
C38B H38G 0.9800 . ?
C39B H39C 0.9800 . ?
C39B H39D 0.9800 . ?
C40B H40F 0.9800 . ?
C40B H40G 0.9800 . ?
C1C C2C 1.357(15) . ?
C1C H1C 0.9400 . ?
C2C C3C 1.406(14) . ?
C3C C4C 1.392(16) . ?
C3C H3C 0.9400 . ?
C4C C5C 1.313(15) . ?
C4C H4CA 0.9400 . ?
C5C H5C 0.9400 . ?
C6C C7C 1.406(16) . ?
C6C H6C 0.9400 . ?
C7C C8C 1.446(15) . ?
C8C C9C 1.348(17) . ?
C8C H8U 0.9400 . ?
C9C C10C 1.319(17) . ?
C9C H9C 0.9400 . ?
C10C H10U 0.9400 . ?
C11C C15C 1.447(18) . ?
C11C C12C 1.568(19) . ?
C11C H11C 0.9900 . ?
C12C C13C 1.51(2) . ?
C12C H12E 0.9800 . ?
C12C H12F 0.9800 . ?
C13C C14C 1.40(2) . ?
C13C H13E 0.9800 . ?
C13C H13F 0.9800 . ?
C14C C15C 1.513(18) . ?
C14C H14E 0.9800 . ?
C14C H14U 0.9800 . ?
C15C H15E 0.9800 . ?
C15C H15' 0.9800 . ?
C16C C20C 1.415(19) . ?
C16C C17C 1.55(2) . ?
C16C H16C 0.9900 . ?
C17C C18C 1.56(2) . ?
C17C H17E 0.9800 . ?
C17C H17F 0.9800 . ?
C18C C19C 1.49(2) . ?
C18C H18G 0.9800 . ?
C18C H18H 0.9800 . ?
C19C C20C 1.61(2) . ?
C19C H19D 0.9800 . ?
C19C H19E 0.9800 . ?
C20C H20E 0.9800 . ?
C20C H20F 0.9800 . ?
C21C C22C 1.457(15) . ?
C21C H21C 0.9400 . ?
C22C C23C 1.406(15) . ?
C23C C24C 1.352(16) . ?
C23C H23C 0.9400 . ?
C24C C25C 1.448(17) . ?
C24C H24C 0.9400 . ?
C25C H25C 0.9400 . ?
C26C C27C 1.348(14) . ?
C26C H26I 0.9400 . ?
C27C C28C 1.388(15) . ?
C28C C29C 1.327(16) . ?
C28C H28C 0.9400 . ?
C29C C30C 1.373(15) . ?
C29C H29C 0.9400 . ?
C30C H30C 0.9400 . ?
C31C C32C 1.57(2) . ?
C31C C35C 1.58(2) . ?
C31C H31C 0.9900 . ?
C32C C33C 1.58(2) . ?
C32C H32E 0.9800 . ?
C32C H32F 0.9800 . ?
C33C C34C 1.61(2) . ?
C33C H33E 0.9800 . ?
C33C H33F 0.9800 . ?
C34C C35C 1.49(2) . ?
C34C H34E 0.9800 . ?
C34C H34F 0.9800 . ?
C35C H35E 0.9800 . ?
C35C H35F 0.9800 . ?
C36C C40C 1.478(19) . ?
C36C C37C 1.54(2) . ?
C36C H36C 0.9900 . ?
C37C C38C 1.52(2) . ?
C37C H37E 0.9800 . ?
C37C H37F 0.9800 . ?
C38C C39C 1.52(2) . ?
C38C H38H 0.9800 . ?
C38C H38I 0.9800 . ?
C39C C40C 1.548(19) . ?
C39C H39E 0.9800 . ?
C39C H39F 0.9800 . ?
C40C H40H 0.9800 . ?
C40C H40I 0.9800 . ?
C1D C2D 1.363(18) . ?
C1D H1D 0.9400 . ?
C2D C3D 1.40(2) . ?
C3D C4D 1.49(2) . ?
C3D H3D 0.9400 . ?
C4D C5D 1.336(17) . ?
C4D H4D 0.9400 . ?
C5D H5D 0.9400 . ?
C6D C7D 1.42(2) . ?
C6D H6D 0.9400 . ?
C7D C8D 1.47(2) . ?
C8D C9D 1.33(2) . ?
C8D H8D 0.9400 . ?
C9D C10D 1.37(2) . ?
C9D H9D 0.9400 . ?
C10D H10D 0.9400 . ?
C11D C15D 1.53(2) . ?
C11D C12D 1.53(2) . ?
C11D H11D 0.9900 . ?
C12D C13D 1.47(2) . ?
C12D H12G 0.9800 . ?
C12D H12H 0.9800 . ?
C13D C14D 1.49(2) . ?
C13D H13G 0.9800 . ?
C13D H13H 0.9800 . ?
C14D C15D 1.62(2) . ?
C14D H1AC 0.9800 . ?
C14D H14G 0.9800 . ?
C15D H1AD 0.9800 . ?
C15D H15G 0.9800 . ?
C16D C20D 1.50(2) . ?
C16D C17D 1.58(2) . ?
C16D H16D 0.9900 . ?
C17D C18D 1.46(2) . ?
C17D H17G 0.9800 . ?
C17D H17H 0.9800 . ?
C18D C19D 1.49(2) . ?
C18D H18I 0.9800 . ?
C18D H18J 0.9800 . ?
C19D C20D 1.55(2) . ?
C19D H19F 0.9800 . ?
C19D H19G 0.9800 . ?
C20D H20G 0.9800 . ?
C20D H20H 0.9800 . ?
C21D C22D 1.397(17) . ?
C21D H21D 0.9400 . ?
C22D C23D 1.441(16) . ?
C23D C24D 1.387(16) . ?
C23D H23D 0.9400 . ?
C24D C25D 1.371(17) . ?
C24D H24D 0.9400 . ?
C25D H25D 0.9400 . ?
C26D C27D 1.414(15) . ?
C26D H26J 0.9400 . ?
C27D C28D 1.362(17) . ?
C28D C29D 1.403(17) . ?
C28D H28D 0.9400 . ?
C29D C30D 1.314(17) . ?
C29D H29D 0.9400 . ?
C30D H30D 0.9400 . ?
C31D C35D 1.493(18) . ?
C31D C32D 1.571(17) . ?
C31D H31D 0.9900 . ?
C32D C33D 1.482(18) . ?
C32D H32G 0.9800 . ?
C32D H32H 0.9800 . ?
C33D C34D 1.437(19) . ?
C33D H33G 0.9800 . ?
C33D H33H 0.9800 . ?
C34D C35D 1.529(18) . ?
C34D H34G 0.9800 . ?
C34D H34H 0.9800 . ?
C35D H35G 0.9800 . ?
C35D H35H 0.9800 . ?
C36D C37D 1.46(2) . ?
C36D C40D 1.51(2) . ?
C36D H36D 0.9900 . ?
C37D C38D 1.48(2) . ?
C37D H37G 0.9800 . ?
C37D H37H 0.9800 . ?
C38D C39D 1.43(2) . ?
C38D H38J 0.9800 . ?
C38D H38K 0.9800 . ?
C39D C40D 1.54(2) . ?
C39D H39G 0.9800 . ?
C39D H39H 0.9800 . ?
C40D H40J 0.9800 . ?
C40D H40K 0.9800 . ?
C1E C2E 1.417(15) . ?
C1E H1E 0.9400 . ?
C2E C3E 1.373(16) . ?
C3E C4E 1.367(17) . ?
C3E H3E 0.9400 . ?
C4E C5E 1.354(17) . ?
C4E H4E 0.9400 . ?
C5E H5E 0.9400 . ?
C6E C7E 1.387(16) . ?
C6E H6E 0.9400 . ?
C7E C8E 1.374(16) . ?
C8E C9E 1.394(18) . ?
C8E H8E 0.9400 . ?
C9E C10E 1.340(17) . ?
C9E H9E 0.9400 . ?
C10E H10F 0.9400 . ?
C11E C15E 1.529(19) . ?
C11E C12E 1.535(19) . ?
C11E H11E 0.9900 . ?
C12E C13E 1.50(2) . ?
C12E H12I 0.9800 . ?
C12E H12J 0.9800 . ?
C13E C14E 1.58(2) . ?
C13E H13I 0.9800 . ?
C13E H13J 0.9800 . ?
C14E C15E 1.457(19) . ?
C14E H14H 0.9800 . ?
C14E H14I 0.9800 . ?
C15E H15H 0.9800 . ?
C15E H1AE 0.9800 . ?
C16E C20E 1.51(2) . ?
C16E C17E 1.54(2) . ?
C16E H16E 0.9900 . ?
C17E C18E 1.52(2) . ?
C17E H17I 0.9800 . ?
C17E H17J 0.9800 . ?
C18E C19E 1.57(2) . ?
C18E H18K 0.9800 . ?
C18E H18L 0.9800 . ?
C19E C20E 1.55(2) . ?
C19E H19H 0.9800 . ?
C19E H19I 0.9800 . ?
C20E H20I 0.9800 . ?
C20E H20J 0.9800 . ?
C21E C22E 1.391(19) . ?
C21E H21E 0.9400 . ?
C22E C23E 1.399(18) . ?
C23E C24E 1.38(2) . ?
C23E H23E 0.9400 . ?
C24E C25E 1.46(2) . ?
C24E H24E 0.9400 . ?
C25E H25E 0.9400 . ?
C26E C27E 1.321(16) . ?
C26E H26K 0.9400 . ?
C27E C28E 1.419(17) . ?
C28E C29E 1.334(16) . ?
C28E H28E 0.9400 . ?
C29E C30E 1.374(16) . ?
C29E H29E 0.9400 . ?
C30E H30E 0.9400 . ?
C31E C35E 1.535(18) . ?
C31E C32E 1.613(19) . ?
C31E H31E 0.9900 . ?
C32E C33E 1.463(19) . ?
C32E H32I 0.9800 . ?
C32E H32J 0.9800 . ?
C33E C34E 1.54(2) . ?
C33E H33I 0.9800 . ?
C33E H33J 0.9800 . ?
C34E C35E 1.51(2) . ?
C34E H34I 0.9800 . ?
C34E H34J 0.9800 . ?
C35E H35I 0.9800 . ?
C35E H35J 0.9800 . ?
C36E C40E 1.471(18) . ?
C36E C37E 1.511(19) . ?
C36E H36E 0.9900 . ?
C37E C38E 1.548(19) . ?
C37E H37I 0.9800 . ?
C37E H37Z 0.9800 . ?
C38E C39E 1.414(19) . ?
C38E H38L 0.9800 . ?
C38E H38' 0.9800 . ?
C39E C40E 1.474(19) . ?
C39E H39I 0.9800 . ?
C39E H39Z 0.9800 . ?
C40E H40L 0.9800 . ?
C40E H40Z 0.9800 . ?
C1F C2F 1.347(15) . ?
C1F H1F 0.9400 . ?
C2F C3F 1.406(15) . ?
C3F C4F 1.397(16) . ?
C3F H3F 0.9400 . ?
C4F C5F 1.374(17) . ?
C4F H4F 0.9400 . ?
C5F H5F 0.9400 . ?
C6F C7F 1.397(15) . ?
C6F H6F 0.9400 . ?
C7F C8F 1.397(16) . ?
C8F C9F 1.357(16) . ?
C8F H8F 0.9400 . ?
C9F C10F 1.373(16) . ?
C9F H9F 0.9400 . ?
C10F H10G 0.9400 . ?
C11F C15F 1.558(19) . ?
C11F C12F 1.560(18) . ?
C11F H11F 0.9900 . ?
C12F C13F 1.54(2) . ?
C12F H12K 0.9800 . ?
C12F H12L 0.9800 . ?
C13F C14F 1.414(18) . ?
C13F H13K 0.9800 . ?
C13F H13' 0.9800 . ?
C14F C15F 1.53(2) . ?
C14F H14J 0.9800 . ?
C14F H1AF 0.9800 . ?
C15F H15X 0.9800 . ?
C15F H15J 0.9800 . ?
C15G C14G 1.528(17) . ?
C15G C11G 1.557(17) . ?
C15G H15Y 0.9800 . ?
C15G H15L 0.9800 . ?
C16F C17F 1.52(2) . ?
C16F C20F 1.55(2) . ?
C16F H16F 0.9900 . ?
C17F C18F 1.52(2) . ?
C17F H17K 0.9800 . ?
C17F H17L 0.9800 . ?
C18F C19F 1.46(2) . ?
C18F H18M 0.9800 . ?
C18F H18N 0.9800 . ?
C19F C20F 1.62(2) . ?
C19F H19J 0.9800 . ?
C19F H19K 0.9800 . ?
C20F H20K 0.9800 . ?
C20F H20L 0.9800 . ?
C21F C22F 1.393(17) . ?
C21F H21F 0.9400 . ?
C22F C23F 1.456(16) . ?
C23F C24F 1.279(18) . ?
C23F H23F 0.9400 . ?
C24F C25F 1.324(18) . ?
C24F H24G 0.9400 . ?
C25F H25H 0.9400 . ?
C26F C27F 1.344(16) . ?
C26F H26L 0.9400 . ?
C27F C28F 1.357(16) . ?
C28F C29F 1.381(17) . ?
C28F H28F 0.9400 . ?
C29F C30F 1.339(16) . ?
C29F H29F 0.9400 . ?
C30F H30F 0.9400 . ?
C31F C35F 1.470(17) . ?
C31F C32F 1.505(18) . ?
C31F H31F 0.9900 . ?
C32F C33F 1.471(18) . ?
C32F H32K 0.9800 . ?
C32F H32L 0.9800 . ?
C33F C34F 1.49(2) . ?
C33F H33K 0.9800 . ?
C33F H33L 0.9800 . ?
C34F C35F 1.459(18) . ?
C34F H34K 0.9800 . ?
C34F H34L 0.9800 . ?
C35F H35K 0.9800 . ?
C35F H35L 0.9800 . ?
C36F C37F 1.47(2) . ?
C36F C40F 1.543(19) . ?
C36F H36F 0.9900 . ?
C37F C38F 1.41(2) . ?
C37F H37Y 0.9800 . ?
C37F H37K 0.9800 . ?
C37G C36G 1.473(17) . ?
C37G C38G 1.604(19) . ?
C37G H37L 0.9800 . ?
C37G H37M 0.9800 . ?
C38F C39F 1.56(2) . ?
C38F H38T 0.9800 . ?
C38F H38N 0.9800 . ?
C39F C40F 1.50(2) . ?
C39F H39Y 0.9800 . ?
C39F H39K 0.9800 . ?
C40F H40T 0.9800 . ?
C40F H40N 0.9800 . ?
C1G C2G 1.389(15) . ?
C1G H1G 0.9400 . ?
C2G C3G 1.367(15) . ?
C3G C4G 1.381(16) . ?
C3G H3G 0.9400 . ?
C4G C5G 1.350(17) . ?
C4G H4G 0.9400 . ?
C5G H5G 0.9400 . ?
C6G C7G 1.427(14) . ?
C6G H6G 0.9400 . ?
C7G C8G 1.362(14) . ?
C8G C9G 1.411(15) . ?
C8G H8G 0.9400 . ?
C9G C10G 1.384(14) . ?
C9G H9G 0.9400 . ?
C10G H10H 0.9400 . ?
C11G C12G 1.452(17) . ?
C11G H11G 0.9900 . ?
C12G C13G 1.553(17) . ?
C12G H12M 0.9800 . ?
C12G H12N 0.9800 . ?
C13G C14G 1.490(19) . ?
C13G H13L 0.9800 . ?
C13G H13M 0.9800 . ?
C14G H14N 0.9800 . ?
C14G H14M 0.9800 . ?
C16G C17G 1.532(16) . ?
C16G C20G 1.547(16) . ?
C16G H16G 0.9900 . ?
C17G C18G 1.581(16) . ?
C17G H17M 0.9800 . ?
C17G H17N 0.9800 . ?
C18G C19G 1.490(19) . ?
C18G H18O 0.9800 . ?
C18G H18P 0.9800 . ?
C19G C20G 1.529(18) . ?
C19G H19L 0.9800 . ?
C19G H19M 0.9800 . ?
C20G H20M 0.9800 . ?
C20G H20N 0.9800 . ?
C21G C22G 1.383(15) . ?
C21G H21G 0.9400 . ?
C22G C23G 1.378(17) . ?
C23G C24G 1.391(17) . ?
C23G H23G 0.9400 . ?
C24G C25G 1.313(15) . ?
C24G H24H 0.9400 . ?
C25G H25I 0.9400 . ?
C26G C27G 1.378(15) . ?
C26G H26M 0.9400 . ?
C27G C28G 1.384(16) . ?
C28G C29G 1.409(16) . ?
C28G H28G 0.9400 . ?
C29G C30G 1.345(16) . ?
C29G H29G 0.9400 . ?
C30G H30G 0.9400 . ?
C31G C35G 1.51(2) . ?
C31G C32G 1.57(2) . ?
C31G H31G 0.9900 . ?
C32G C33G 1.49(3) . ?
C32G H32M 0.9800 . ?
C32G H32' 0.9800 . ?
C33G C34G 1.56(3) . ?
C33G H33M 0.9800 . ?
C33G H33N 0.9800 . ?
C34G C35G 1.62(2) . ?
C34G H34N 0.9800 . ?
C34G H34O 0.9800 . ?
C35G H35N 0.9800 . ?
C35G H35O 0.9800 . ?
C36G C40G 1.473(19) . ?
C36G H36G 0.9900 . ?
C38G C39G 1.56(2) . ?
C38G H38O 0.9800 . ?
C38G H38P 0.9800 . ?
C39G C40G 1.466(18) . ?
C39G H39L 0.9800 . ?
C39G H39M 0.9800 . ?
C40G H40O 0.9800 . ?
C40G H40P 0.9800 . ?
C1H C2H 1.386(15) . ?
C1H H1H 0.9400 . ?
C2H C3H 1.388(16) . ?
C3H C4H 1.412(16) . ?
C3H H3H 0.9400 . ?
C4H C5H 1.380(16) . ?
C4H H4H 0.9400 . ?
C5H H5H 0.9400 . ?
C6H C7H 1.329(14) . ?
C6H H6H 0.9400 . ?
C7H C8H 1.412(15) . ?
C8H C9H 1.342(16) . ?
C8H H8H 0.9400 . ?
C9H C10H 1.366(16) . ?
C9H H9H 0.9400 . ?
C10H H10I 0.9400 . ?
C11H C15H 1.473(16) . ?
C11H C12H 1.555(17) . ?
C11H H11H 0.9900 . ?
C12H C13H 1.507(17) . ?
C12H H12O 0.9800 . ?
C12H H12P 0.9800 . ?
C13H C14H 1.511(19) . ?
C13H H13W 0.9800 . ?
C13H H13O 0.9800 . ?
C14H C15H 1.477(18) . ?
C14H H1AG 0.9800 . ?
C14H H1AH 0.9800 . ?
C15H H15M 0.9800 . ?
C15H H1AI 0.9800 . ?
C16H C17H 1.48(2) . ?
C16H C20H 1.604(17) . ?
C16H H16H 0.9900 . ?
C17H C18H 1.59(2) . ?
C17H H17O 0.9800 . ?
C17H H17P 0.9800 . ?
C18H C19H 1.45(2) . ?
C18H H18Q 0.9800 . ?
C18H H18R 0.9800 . ?
C19H C20H 1.53(2) . ?
C19H H19N 0.9800 . ?
C19H H19O 0.9800 . ?
C20H H20O 0.9800 . ?
C20H H20P 0.9800 . ?
C21H C22H 1.439(15) . ?
C21H H21H 0.9400 . ?
C22H C23H 1.396(16) . ?
C23H C24H 1.439(16) . ?
C23H H23H 0.9400 . ?
C24H C25H 1.351(14) . ?
C24H H24I 0.9400 . ?
C25H H25J 0.9400 . ?
C26H C27H 1.378(16) . ?
C26H H26N 0.9400 . ?
C27H C28H 1.347(16) . ?
C28H C29H 1.364(16) . ?
C28H H28H 0.9400 . ?
C29H C30H 1.339(17) . ?
C29H H29H 0.9400 . ?
C30H H30H 0.9400 . ?
C31H C32H 1.45(2) . ?
C31H C35H 1.569(19) . ?
C31H H31H 0.9900 . ?
C32H C33H 1.52(2) . ?
C32H H32Q 0.9800 . ?
C32H H32O 0.9800 . ?
C33H C34H 1.42(2) . ?
C33H H33O 0.9800 . ?
C33H H33P 0.9800 . ?
C34H C35H 1.468(13) . ?
C34H H34M 0.9800 . ?
C34H H34P 0.9800 . ?
C35H H35M 0.9800 . ?
C35H H35P 0.9800 . ?
C36H C40H 1.48(2) . ?
C36H C37H 1.66(2) . ?
C36H H36H 0.9900 . ?
C37H C38H 1.39(2) . ?
C37H H37N 0.9800 . ?
C37H H37O 0.9800 . ?
C38H C39H 1.41(3) . ?
C38H H38Q 0.9800 . ?
C38H H38R 0.9800 . ?
C39H C40H 1.57(2) . ?
C39H H39N 0.9800 . ?
C39H H39O 0.9800 . ?
C40H H40Q 0.9800 . ?
C40H H40R 0.9800 . ?
C1I C2I 1.365(16) . ?
C1I H1I 0.9400 . ?
C2I C3I 1.422(16) . ?
C3I C4I 1.450(17) . ?
C3I H3I 0.9400 . ?
C4I C5I 1.314(17) . ?
C4I H4I 0.9400 . ?
C5I H5I 0.9400 . ?
C6I C7I 1.372(15) . ?
C6I H6I 0.9400 . ?
C7I C8I 1.363(16) . ?
C8I C9I 1.409(17) . ?
C8I H8I 0.9400 . ?
C9I C10I 1.339(15) . ?
C9I H9I 0.9400 . ?
C10I H10J 0.9400 . ?
C11I C12I 1.455(18) . ?
C11I C15I 1.550(18) . ?
C11I H11I 0.9900 . ?
C12I C13I 1.488(19) . ?
C12I H12Q 0.9800 . ?
C12I H12R 0.9800 . ?
C13I C14I 1.421(19) . ?
C13I H13P 0.9800 . ?
C13I H13Q 0.9800 . ?
C14I C15I 1.455(19) . ?
C14I H1AJ 0.9800 . ?
C14I H14Q 0.9800 . ?
C15I H15O 0.9800 . ?
C15I H15P 0.9800 . ?
C16I C17I 1.386(19) . ?
C16I C20I 1.549(18) . ?
C16I H16I 0.9900 . ?
C17I C18I 1.669(19) . ?
C17I H17Q 0.9800 . ?
C17I H17R 0.9800 . ?
C18I C19I 1.43(2) . ?
C18I H18S 0.9800 . ?
C18I H18T 0.9800 . ?
C19I C20I 1.567(18) . ?
C19I H19P 0.9800 . ?
C19I H19Q 0.9800 . ?
C20I H20Q 0.9800 . ?
C20I H20R 0.9800 . ?
C21I C22I 1.432(15) . ?
C21I H21I 0.9400 . ?
C22I C23I 1.420(14) . ?
C23I C24I 1.350(16) . ?
C23I H23I 0.9400 . ?
C24I C25I 1.378(15) . ?
C24I H24J 0.9400 . ?
C25I H25K 0.9400 . ?
C26I C27I 1.310(16) . ?
C26I H26O 0.9400 . ?
C27I C28I 1.434(16) . ?
C28I C29I 1.337(17) . ?
C28I H28I 0.9400 . ?
C29I C30I 1.386(18) . ?
C29I H29I 0.9400 . ?
C30I H30I 0.9400 . ?
C31I C32I 1.54(2) . ?
C31I C35I 1.59(2) . ?
C31I H31I 0.9900 . ?
C32I C33I 1.556(19) . ?
C32I H32P 0.9800 . ?
C32I H3AA 0.9800 . ?
C33I C34I 1.52(2) . ?
C33I H33Q 0.9800 . ?
C33I H33R 0.9800 . ?
C34I C35I 1.56(2) . ?
C34I H34Q 0.9800 . ?
C34I H34R 0.9800 . ?
C35I H35Q 0.9800 . ?
C35I H35R 0.9800 . ?
C36I C40I 1.508(19) . ?
C36I C37I 1.60(2) . ?
C36I H36I 0.9900 . ?
C37I C38I 1.55(2) . ?
C37I H37P 0.9800 . ?
C37I H37Q 0.9800 . ?
C38I C39I 1.40(2) . ?
C38I H38S 0.9800 . ?
C38I H3AB 0.9800 . ?
C39I C40I 1.52(2) . ?
C39I H39P 0.9800 . ?
C39I H39Q 0.9800 . ?
C40I H40S 0.9800 . ?
C40I H4AA 0.9800 . ?
C1J C2J 1.462(17) . ?
C1J H1J 0.9400 . ?
C2J C3J 1.375(16) . ?
C3J C4J 1.368(18) . ?
C3J H3J 0.9400 . ?
C4J C5J 1.357(18) . ?
C4J H4J 0.9400 . ?
C5J H5J 0.9400 . ?
C6J C7J 1.419(15) . ?
C6J H6J 0.9400 . ?
C7J C8J 1.394(17) . ?
C8J C9J 1.361(17) . ?
C8J H8J 0.9400 . ?
C9J C10J 1.377(16) . ?
C9J H9J 0.9400 . ?
C10J H10K 0.9400 . ?
C11J C12J 1.528(19) . ?
C11J C15J 1.576(18) . ?
C11J H11J 0.9900 . ?
C12J C13J 1.543(19) . ?
C12J H12S 0.9800 . ?
C12J H12T 0.9800 . ?
C13J C14J 1.58(2) . ?
C13J H13R 0.9800 . ?
C13J H13S 0.9800 . ?
C14J C15J 1.46(2) . ?
C14J H1AQ 0.9800 . ?
C14J H14S 0.9800 . ?
C15J H15Q 0.9800 . ?
C15J H15R 0.9800 . ?
C16J C17J 1.46(2) . ?
C16J C20J 1.57(2) . ?
C16J H16J 0.9900 . ?
C17J C18J 1.53(2) . ?
C17J H17S 0.9800 . ?
C17J H17T 0.9800 . ?
C18J C19J 1.42(3) . ?
C18J H18U 0.9800 . ?
C18J H1AR 0.9800 . ?
C19J C20J 1.50(2) . ?
C19J H19R 0.9800 . ?
C19J H19S 0.9800 . ?
C20J H20S 0.9800 . ?
C20J H20T 0.9800 . ?
C21J C22J 1.415(15) . ?
C21J H21J 0.9400 . ?
C22J C23J 1.407(17) . ?
C23J C24J 1.311(17) . ?
C23J H23J 0.9400 . ?
C24J C25J 1.382(16) . ?
C24J H24K 0.9400 . ?
C25J H25F 0.9400 . ?
C26J C27J 1.338(17) . ?
C26J H26P 0.9400 . ?
C27J C28J 1.366(17) . ?
C28J C29J 1.418(17) . ?
C28J H28J 0.9400 . ?
C29J C30J 1.349(17) . ?
C29J H29J 0.9400 . ?
C30J H30J 0.9400 . ?
C31J C35J 1.457(18) . ?
C31J C32J 1.526(18) . ?
C31J H31J 0.9900 . ?
C32J C33J 1.482(19) . ?
C32J H3AD 0.9800 . ?
C32J H32S 0.9800 . ?
C33J C34J 1.55(2) . ?
C33J H33S 0.9800 . ?
C33J H33T 0.9800 . ?
C34J C35J 1.539(18) . ?
C34J H34S 0.9800 . ?
C34J H34T 0.9800 . ?
C35J H35S 0.9800 . ?
C35J H35T 0.9800 . ?
C36J C40J 1.491(19) . ?
C36J C37J 1.517(18) . ?
C36J H36J 0.9900 . ?
C37J C38J 1.593(19) . ?
C37J H37R 0.9800 . ?
C37J H37S 0.9800 . ?
C38J C39J 1.457(19) . ?
C38J H3AE 0.9800 . ?
C38J H38V 0.9800 . ?
C39J C40J 1.539(18) . ?
C39J H39R 0.9800 . ?
C39J H39S 0.9800 . ?
C40J H4AF 0.9800 . ?
C40J H40V 0.9800 . ?
C1K C2K 1.361(16) . ?
C1K H1K 0.9400 . ?
C2K C3K 1.457(16) . ?
C3K C4K 1.376(17) . ?
C3K H3K 0.9400 . ?
C4K C5K 1.376(18) . ?
C4K H4K 0.9400 . ?
C5K H5K 0.9400 . ?
C6K C7K 1.375(15) . ?
C6K H6K 0.9400 . ?
C7K C8K 1.378(15) . ?
C8K C9K 1.319(15) . ?
C8K H8K 0.9400 . ?
C9K C10K 1.446(15) . ?
C9K H9K 0.9400 . ?
C10K H10L 0.9400 . ?
C11K C15K 1.56(2) . ?
C11K C12K 1.60(2) . ?
C11K H11K 0.9900 . ?
C12K C13K 1.50(2) . ?
C12K H12U 0.9800 . ?
C12K H12V 0.9800 . ?
C13K C14K 1.55(2) . ?
C13K H13T 0.9800 . ?
C13K H13U 0.9800 . ?
C14K C15K 1.42(2) . ?
C14K H1AZ 0.9800 . ?
C14K H1AY 0.9800 . ?
C15K H15S 0.9800 . ?
C15K H1AX 0.9800 . ?
C16K C20K 1.518(16) . ?
C16K C17K 1.530(17) . ?
C16K H16K 0.9900 . ?
C17K C18K 1.519(18) . ?
C17K H17U 0.9800 . ?
C17K H17V 0.9800 . ?
C18K C19K 1.442(18) . ?
C18K H18W 0.9800 . ?
C18K H18X 0.9800 . ?
C19K C20K 1.573(18) . ?
C19K H19T 0.9800 . ?
C19K H19U 0.9800 . ?
C20K H20U 0.9800 . ?
C20K H20V 0.9800 . ?
C21K C22K 1.332(15) . ?
C21K H21K 0.9400 . ?
C22K C23K 1.415(15) . ?
C23K C24K 1.356(16) . ?
C23K H23K 0.9400 . ?
C24K C25K 1.339(15) . ?
C24K H24L 0.9400 . ?
C25K H25N 0.9400 . ?
C26K C27K 1.388(16) . ?
C26K H26Q 0.9400 . ?
C27K C28K 1.365(16) . ?
C28K C29K 1.426(16) . ?
C28K H28K 0.9400 . ?
C29K C30K 1.392(17) . ?
C29K H29K 0.9400 . ?
C30K H30K 0.9400 . ?
C31K C32K 1.47(2) . ?
C31K C35K 1.568(19) . ?
C31K H31K 0.9900 . ?
C32K C33K 1.579(19) . ?
C32K H32T 0.9800 . ?
C32K H32U 0.9800 . ?
C33K C34K 1.44(2) . ?
C33K H33U 0.9800 . ?
C33K H33V 0.9800 . ?
C34K C35K 1.41(2) . ?
C34K H34U 0.9800 . ?
C34K H34V 0.9800 . ?
C35K H35U 0.9800 . ?
C35K H35V 0.9800 . ?
C36K C40K 1.48(2) . ?
C36K C37K 1.553(18) . ?
C36K H36K 0.9900 . ?
C37K C38K 1.47(2) . ?
C37K H37T 0.9800 . ?
C37K H37U 0.9800 . ?
C38K C39K 1.46(2) . ?
C38K H38W 0.9800 . ?
C38K H38X 0.9800 . ?
C39K C40K 1.43(2) . ?
C39K H39T 0.9800 . ?
C39K H39U 0.9800 . ?
C40K H40W 0.9800 . ?
C40K H40X 0.9800 . ?
C1L C2L 1.468(16) . ?
C1L H1L 0.9400 . ?
C2L C3L 1.350(16) . ?
C3L C4L 1.407(16) . ?
C3L H3L 0.9400 . ?
C4L C5L 1.328(17) . ?
C4L H4L 0.9400 . ?
C5L H5L 0.9400 . ?
C6L C7L 1.392(14) . ?
C6L H6L 0.9400 . ?
C7L C8L 1.410(15) . ?
C8L C9L 1.381(15) . ?
C8L H8L 0.9400 . ?
C9L C10L 1.358(15) . ?
C9L H9L 0.9400 . ?
C10L H10M 0.9400 . ?
C11L C12L 1.50(2) . ?
C11L C15L 1.54(2) . ?
C11L H11L 0.9900 . ?
C12L C13L 1.424(12) . ?
C12L H12W 0.9800 . ?
C12L H12$ 0.9800 . ?
C13L C14L 1.51(3) . ?
C13L H13Z 0.9800 . ?
C13L H13V 0.9800 . ?
C14L C15L 1.45(2) . ?
C14L H1BA 0.9800 . ?
C14L H1BB 0.9800 . ?
C15L H1BC 0.9800 . ?
C15L H15U 0.9800 . ?
C16L C20L 1.49(2) . ?
C16L C17L 1.50(2) . ?
C16L H16L 0.9900 . ?
C17L C18L 1.56(2) . ?
C17L H17W 0.9800 . ?
C17L H17X 0.9800 . ?
C18L C19L 1.47(2) . ?
C18L H18Y 0.9800 . ?
C18L H18Z 0.9800 . ?
C19L C20L 1.46(2) . ?
C19L H1BD 0.9800 . ?
C19L H19W 0.9800 . ?
C20L H20W 0.9800 . ?
C20L H20X 0.9800 . ?
C21L C22L 1.393(14) . ?
C21L H21L 0.9400 . ?
C22L C23L 1.387(14) . ?
C23L C24L 1.329(15) . ?
C23L H23L 0.9400 . ?
C24L C25L 1.363(15) . ?
C24L H24M 0.9400 . ?
C25L H25O 0.9400 . ?
C26L C27L 1.399(15) . ?
C26L H26R 0.9400 . ?
C27L C28L 1.380(15) . ?
C28L C29L 1.384(16) . ?
C28L H28L 0.9400 . ?
C29L C30L 1.383(16) . ?
C29L H29L 0.9400 . ?
C30L H30L 0.9400 . ?
C31L C35L 1.58(2) . ?
C31L C32L 1.61(2) . ?
C31L H31L 0.9900 . ?
C32L C33L 1.55(2) . ?
C32L H32V 0.9800 . ?
C32L H32W 0.9800 . ?
C33L C34L 1.38(2) . ?
C33L H33W 0.9800 . ?
C33L H33X 0.9800 . ?
C34L C35L 1.65(2) . ?
C34L H34W 0.9800 . ?
C34L H34X 0.9800 . ?
C35L H35W 0.9800 . ?
C35L H35X 0.9800 . ?
C36L C37L 1.538(17) . ?
C36L C40L 1.559(16) . ?
C36L H36L 0.9900 . ?
C37L C38L 1.553(18) . ?
C37L H37V 0.9800 . ?
C37L H37W 0.9800 . ?
C38L C39L 1.492(19) . ?
C38L H38Y 0.9800 . ?
C38L H38Z 0.9800 . ?
C39L C40L 1.469(17) . ?
C39L H39V 0.9800 . ?
C39L H39W 0.9800 . ?
C40L H40Y 0.9400 . ?
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
Co5A O9A Cl3A O12A 50.7(10) . . . . ?
Co5A O9A Cl3A O10A 172.5(8) . . . . ?
Co5A O9A Cl3A O11A -68.4(9) . . . . ?
O2A Cl1A O1A Co2A 174.6(17) . . . . ?
O4A Cl1A O1A Co2A -20(2) . . . . ?
O3A Cl1A O1A Co2A 87.8(19) . . . . ?
O3B Cl1B O1B Co2B -175.8(7) . . . . ?
O4B Cl1B O1B Co2B -52.2(8) . . . . ?
O2B Cl1B O1B Co2B 66.9(8) . . . . ?
O7A Cl2A O5A Co3A -154.3(10) . . . . ?
O6A Cl2A O5A Co3A -28.4(11) . . . . ?
O8A Cl2A O5A Co3A 85.3(10) . . . . ?
O8B Cl2B O5B Co3B 169.8(10) . . . . ?
O6B Cl2B O5B Co3B 40.3(11) . . . . ?
O7B Cl2B O5B Co3B -76.5(10) . . . . ?
O16A Cl4A O13A Co6A -158.1(10) . . . . ?
O14A Cl4A O13A Co6A -35.1(11) . . . . ?
O15A Cl4A O13A Co6A 81.4(10) . . . . ?
O11B Cl3B O9B Co5B -179.5(11) . . . . ?
O12B Cl3B O9B Co5B -28.2(15) . . . . ?
O10B Cl3B O9B Co5B 92.0(13) . . . . ?
O12B Cl3B O10B O11B -121.1(7) . . . . ?
O9B Cl3B O10B O11B 118.5(7) . . . . ?
O12B Cl3B O11B O10B 106.8(10) . . . . ?
O9B Cl3B O11B O10B -105.5(9) . . . . ?
O14B Cl4B O13B Co6B 39.3(12) . . . . ?
O16B Cl4B O13B Co6B -80.3(11) . . . . ?
O15B Cl4B O13B Co6B 160.9(10) . . . . ?
C10 C9 N56 Co4B 2(7) . . . . ?
C8 C7 N57 Co6B 111(4) . . . . ?
C384 C11 N58 Co3B -77(6) . . . . ?
C5A N1A C1A C2A 4.2(16) . . . . ?
Co1A N1A C1A C2A -173.8(9) . . . . ?
N1A C1A C2A C3A -1.4(18) . . . . ?
N1A C1A C2A Si1A 173.7(9) . . . . ?
C1A C2A C3A C4A -1.3(17) . . . . ?
Si1A C2A C3A C4A -176.7(9) . . . . ?
C2A C3A C4A C5A 0.8(19) . . . . ?
C3A C4A C5A N1A 2(2) . . . . ?
C1A N1A C5A C4A -4.6(17) . . . . ?
Co1A N1A C5A C4A 173.3(10) . . . . ?
C10A N2A C6A C7A -0.2(17) . . . . ?
Co2A N2A C6A C7A 173.0(9) . . . . ?
N2A C6A C7A C8A 3.0(17) . . . . ?
N2A C6A C7A Si1A 179.0(9) . . . . ?
C16A Si1A C7A C8A 11.1(14) . . . . ?
C2A Si1A C7A C8A 130.2(12) . . . . ?
C11A Si1A C7A C8A -117.4(13) . . . . ?
C16A Si1A C7A C6A -164.1(10) . . . . ?
C2A Si1A C7A C6A -45.0(11) . . . . ?
C11A Si1A C7A C6A 67.4(12) . . . . ?
C6A C7A C8A C9A -3.6(19) . . . . ?
Si1A C7A C8A C9A -179.1(11) . . . . ?
C7A C8A C9A C10A 1(2) . . . . ?
C6A N2A C10A C9A -2.3(17) . . . . ?
Co2A N2A C10A C9A -175.6(9) . . . . ?
C8A C9A C10A N2A 2(2) . . . . ?
C15A C11A C12A C13A 53(2) . . . . ?
Si1A C11A C12A C13A 177.4(17) . . . . ?
C11A C12A C13A C14A -25(3) . . . . ?
C12A C13A C14A C15A -12(3) . . . . ?
C12A C11A C15A C14A -59.6(19) . . . . ?
Si1A C11A C15A C14A -174.1(15) . . . . ?
C13A C14A C15A C11A 48(2) . . . . ?
C7A Si1A C16A C20A 55.8(13) . . . . ?
C2A Si1A C16A C20A -61.6(13) . . . . ?
C11A Si1A C16A C20A 174.2(11) . . . . ?
C7A Si1A C16A C17A 178.2(11) . . . . ?
C2A Si1A C16A C17A 60.7(13) . . . . ?
C11A Si1A C16A C17A -63.4(14) . . . . ?
C20A C16A C17A C18A -35.8(17) . . . . ?
Si1A C16A C17A C18A -162.6(12) . . . . ?
C16A C17A C18A C19A 43.1(17) . . . . ?
C17A C18A C19A C20A -37.0(19) . . . . ?
C18A C19A C20A C16A 14.0(19) . . . . ?
C17A C16A C20A C19A 13.9(18) . . . . ?
Si1A C16A C20A C19A 137.4(12) . . . . ?
C25A N3A C21A C22A 7(2) . . . . ?
Co1A N3A C21A C22A 179.2(10) . . . . ?
N3A C21A C22A C23A -8(2) . . . . ?
N3A C21A C22A Si2A 177.2(10) . . . . ?
C27A Si2A C22A C23A 150.9(12) . . . . ?
C36A Si2A C22A C23A 32.7(14) . . . . ?
C31A Si2A C22A C23A -90.6(13) . . . . ?
C27A Si2A C22A C21A -34.7(13) . . . . ?
C36A Si2A C22A C21A -152.9(11) . . . . ?
C31A Si2A C22A C21A 83.7(12) . . . . ?
C21A C22A C23A C24A 8(2) . . . . ?
Si2A C22A C23A C24A -177.1(11) . . . . ?
C22A C23A C24A C25A -8(2) . . . . ?
C21A N3A C25A C24A -5(2) . . . . ?
Co1A N3A C25A C24A -178.1(11) . . . . ?
C23A C24A C25A N3A 6(2) . . . . ?
C30A N4A C26A C27A -3.0(18) . . . . ?
Co2A N4A C26A C27A 175.8(9) . . . . ?
N4A C26A C27A C28A 1.1(18) . . . . ?
N4A C26A C27A Si2A 173.8(10) . . . . ?
C22A Si2A C27A C28A -55.6(13) . . . . ?
C36A Si2A C27A C28A 62.4(13) . . . . ?
C31A Si2A C27A C28A -172.3(11) . . . . ?
C22A Si2A C27A C26A 132.6(11) . . . . ?
C36A Si2A C27A C26A -109.4(11) . . . . ?
C31A Si2A C27A C26A 16.0(13) . . . . ?
C26A C27A C28A C29A 5.1(18) . . . . ?
Si2A C27A C28A C29A -167.5(10) . . . . ?
C27A C28A C29A C30A -9(2) . . . . ?
C26A N4A C30A C29A -0.9(17) . . . . ?
Co2A N4A C30A C29A -179.8(9) . . . . ?
C28A C29A C30A N4A 6.6(19) . . . . ?
C35A C31A C32A C33A -32(2) . . . . ?
Si2A C31A C32A C33A -155.2(15) . . . . ?
C31A C32A C33A C34A 13(3) . . . . ?
C32A C33A C34A C35A 10(3) . . . . ?
C33A C34A C35A C31A -28(2) . . . . ?
C32A C31A C35A C34A 39(2) . . . . ?
Si2A C31A C35A C34A 165.2(15) . . . . ?
C40A C36A C37A C38A 9(2) . . . . ?
Si2A C36A C37A C38A 139.2(13) . . . . ?
C36A C37A C38A C39A -16(2) . . . . ?
C37A C38A C39A C40A 20(2) . . . . ?
C38A C39A C40A C36A -15(2) . . . . ?
C37A C36A C40A C39A 2.6(19) . . . . ?
Si2A C36A C40A C39A -129.0(14) . . . . ?
C5B N1B C1B C2B -6.2(13) . . . . ?
Co2A N1B C1B C2B -174.1(7) . . . . ?
N1B C1B C2B C3B 6.1(14) . . . . ?
N1B C1B C2B Si1B -176.4(7) . . . . ?
C16B Si1B C2B C1B -92.2(9) . . . . ?
C11B Si1B C2B C1B 29.1(10) . . . . ?
C7B Si1B C2B C1B 149.6(8) . . . . ?
C16B Si1B C2B C3B 85.2(9) . . . . ?
C11B Si1B C2B C3B -153.5(8) . . . . ?
C7B Si1B C2B C3B -33.0(9) . . . . ?
C1B C2B C3B C4B -3.9(14) . . . . ?
Si1B C2B C3B C4B 178.6(8) . . . . ?
C2B C3B C4B C5B 2.2(16) . . . . ?
C3B C4B C5B N1B -2.4(17) . . . . ?
C1B N1B C5B C4B 4.2(15) . . . . ?
Co2A N1B C5B C4B 171.9(9) . . . . ?
C10B N2B C6B C7B -0.3(15) . . . . ?
Co3A N2B C6B C7B 178.1(8) . . . . ?
N2B C6B C7B C8B 1.0(16) . . . . ?
N2B C6B C7B Si1B 177.0(8) . . . . ?
C6B C7B C8B C9B -1.2(16) . . . . ?
Si1B C7B C8B C9B -177.2(9) . . . . ?
C7B C8B C9B C10B 0.8(17) . . . . ?
C8B C9B C10B N2B -0.1(18) . . . . ?
C6B N2B C10B C9B -0.2(16) . . . . ?
Co3A N2B C10B C9B -178.6(9) . . . . ?
C16B Si1B C11B C12B 178.1(9) . . . . ?
C2B Si1B C11B C12B 58.5(10) . . . . ?
C7B Si1B C11B C12B -56.9(11) . . . . ?
C16B Si1B C11B C15B -59.3(10) . . . . ?
C2B Si1B C11B C15B -178.9(8) . . . . ?
C7B Si1B C11B C15B 65.7(9) . . . . ?
C15B C11B C12B C13B 36.6(13) . . . . ?
Si1B C11B C12B C13B 162.0(9) . . . . ?
C11B C12B C13B C14B -35.3(15) . . . . ?
C12B C13B C14B C15B 17.3(16) . . . . ?
C12B C11B C15B C14B -25.0(13) . . . . ?
Si1B C11B C15B C14B -156.7(9) . . . . ?
C13B C14B C15B C11B 4.3(14) . . . . ?
C2B Si1B C16B C17B 71.1(11) . . . . ?
C11B Si1B C16B C17B -48.4(12) . . . . ?
C7B Si1B C16B C17B -174.5(10) . . . . ?
C2B Si1B C16B C20B -56.4(11) . . . . ?
C11B Si1B C16B C20B -175.9(10) . . . . ?
C7B Si1B C16B C20B 58.0(12) . . . . ?
C20B C16B C17B C18B -27.2(17) . . . . ?
Si1B C16B C17B C18B -158.6(11) . . . . ?
C16B C17B C18B C19B 29.9(17) . . . . ?
C17B C18B C19B C20B -24(2) . . . . ?
C18B C19B C20B C16B 7.9(19) . . . . ?
C17B C16B C20B C19B 12.0(17) . . . . ?
Si1B C16B C20B C19B 141.3(12) . . . . ?
C25B N3B C21B C22B -3.6(18) . . . . ?
Co2A N3B C21B C22B -179.0(9) . . . . ?
N3B C21B C22B C23B 1.9(18) . . . . ?
N3B C21B C22B Si2B 179.9(9) . . . . ?
C36B Si2B C22B C21B -164.9(10) . . . . ?
C31B Si2B C22B C21B 71.4(12) . . . . ?
C27B Si2B C22B C21B -48.2(11) . . . . ?
C36B Si2B C22B C23B 12.9(13) . . . . ?
C31B Si2B C22B C23B -110.8(11) . . . . ?
C27B Si2B C22B C23B 129.7(11) . . . . ?
C21B C22B C23B C24B -0.2(18) . . . . ?
Si2B C22B C23B C24B -178.2(10) . . . . ?
C22B C23B C24B C25B 0.4(19) . . . . ?
C21B N3B C25B C24B 3.7(18) . . . . ?
Co2A N3B C25B C24B 179.1(10) . . . . ?
C23B C24B C25B N3B -2(2) . . . . ?
C30B N4B C26B C27B -3.3(14) . . . . ?
Co3A N4B C26B C27B -174.7(8) . . . . ?
N4B C26B C27B C28B 1.7(15) . . . . ?
N4B C26B C27B Si2B 179.6(7) . . . . ?
C26B C27B C28B C29B 6.0(16) . . . . ?
Si2B C27B C28B C29B -171.9(9) . . . . ?
C27B C28B C29B C30B -12.2(17) . . . . ?
C28B C29B C30B N4B 11.0(18) . . . . ?
C26B N4B C30B C29B -3.2(15) . . . . ?
Co3A N4B C30B C29B 168.4(9) . . . . ?
C35B C31B C32B C33B -37.4(15) . . . . ?
Si2B C31B C32B C33B -162.4(11) . . . . ?
C31B C32B C33B C34B 17.6(17) . . . . ?
C32B C33B C34B C35B 7.6(19) . . . . ?
C33B C34B C35B C31B -27.7(15) . . . . ?
C32B C31B C35B C34B 41.1(14) . . . . ?
Si2B C31B C35B C34B 164.1(10) . . . . ?
C22B Si2B C36B C40B -173.9(11) . . . . ?
C31B Si2B C36B C40B -50.6(13) . . . . ?
C27B Si2B C36B C40B 69.6(12) . . . . ?
C22B Si2B C36B C37B 61.4(13) . . . . ?
C31B Si2B C36B C37B -175.3(11) . . . . ?
C27B Si2B C36B C37B -55.1(13) . . . . ?
C40B C36B C37B C39B 9(2) . . . . ?
Si2B C36B C37B C39B 139.2(14) . . . . ?
C36B C37B C39B C38B 0(2) . . . . ?
C40B C38B C39B C37B -10(2) . . . . ?
C39B C38B C40B C36B 16(2) . . . . ?
C37B C36B C40B C38B -14.5(18) . . . . ?
Si2B C36B C40B C38B -145.8(13) . . . . ?
C5C N1C C1C C2C 1.2(15) . . . . ?
Co3A N1C C1C C2C 179.3(8) . . . . ?
N1C C1C C2C C3C -4.4(16) . . . . ?
N1C C1C C2C Si1C 179.0(8) . . . . ?
C1C C2C C3C C4C 5.3(15) . . . . ?
Si1C C2C C3C C4C -177.9(8) . . . . ?
C2C C3C C4C C5C -3.5(16) . . . . ?
C3C C4C C5C N1C 0.4(18) . . . . ?
C1C N1C C5C C4C 0.8(15) . . . . ?
Co3A N1C C5C C4C -177.3(9) . . . . ?
C10C N2C C6C C7C 0.9(17) . . . . ?
Co4A N2C C6C C7C -178.7(8) . . . . ?
N2C C6C C7C C8C -3.1(16) . . . . ?
N2C C6C C7C Si1C 179.6(9) . . . . ?
C11C Si1C C7C C6C 66.9(11) . . . . ?
C16C Si1C C7C C6C -170.5(9) . . . . ?
C2C Si1C C7C C6C -52.0(10) . . . . ?
C11C Si1C C7C C8C -110.0(11) . . . . ?
C16C Si1C C7C C8C 12.6(12) . . . . ?
C2C Si1C C7C C8C 131.1(10) . . . . ?
C6C C7C C8C C9C 4.1(16) . . . . ?
Si1C C7C C8C C9C -178.8(9) . . . . ?
C7C C8C C9C C10C -2.9(18) . . . . ?
C8C C9C C10C N2C 0.3(19) . . . . ?
C6C N2C C10C C9C 0.7(17) . . . . ?
Co4A N2C C10C C9C -179.6(9) . . . . ?
C16C Si1C C11C C15C 62.1(12) . . . . ?
C7C Si1C C11C C15C -176.6(10) . . . . ?
C2C Si1C C11C C15C -63.2(12) . . . . ?
C16C Si1C C11C C12C -63.8(12) . . . . ?
C7C Si1C C11C C12C 57.5(11) . . . . ?
C2C Si1C C11C C12C 171.0(9) . . . . ?
C15C C11C C12C C13C 15.2(16) . . . . ?
Si1C C11C C12C C13C 147.7(11) . . . . ?
C11C C12C C13C C14C -27.7(18) . . . . ?
C12C C13C C14C C15C 29.2(19) . . . . ?
C12C C11C C15C C14C 0.8(16) . . . . ?
Si1C C11C C15C C14C -126.4(11) . . . . ?
C13C C14C C15C C11C -18.2(17) . . . . ?
C11C Si1C C16C C20C -179.8(13) . . . . ?
C7C Si1C C16C C20C 58.8(15) . . . . ?
C2C Si1C C16C C20C -54.4(15) . . . . ?
C11C Si1C C16C C17C -59.2(13) . . . . ?
C7C Si1C C16C C17C 179.4(10) . . . . ?
C2C Si1C C16C C17C 66.2(12) . . . . ?
C20C C16C C17C C18C -39.2(16) . . . . ?
Si1C C16C C17C C18C -168.7(11) . . . . ?
C16C C17C C18C C19C 37.3(18) . . . . ?
C17C C18C C19C C20C -20.7(19) . . . . ?
C17C C16C C20C C19C 26.5(17) . . . . ?
Si1C C16C C20C C19C 152.5(12) . . . . ?
C18C C19C C20C C16C -4(2) . . . . ?
C25C N3C C21C C22C -1.9(15) . . . . ?
Co3A N3C C21C C22C 169.9(8) . . . . ?
N3C C21C C22C C23C 1.7(15) . . . . ?
N3C C21C C22C Si2C -176.7(8) . . . . ?
C31C Si2C C22C C23C -102.0(11) . . . . ?
C36C Si2C C22C C23C 19.7(12) . . . . ?
C27C Si2C C22C C23C 141.4(10) . . . . ?
C31C Si2C C22C C21C 76.1(10) . . . . ?
C36C Si2C C22C C21C -162.2(9) . . . . ?
C27C Si2C C22C C21C -40.4(9) . . . . ?
C21C C22C C23C C24C -0.9(17) . . . . ?
Si2C C22C C23C C24C 177.3(9) . . . . ?
C22C C23C C24C C25C 0.5(18) . . . . ?
C21C N3C C25C C24C 1.3(16) . . . . ?
Co3A N3C C25C C24C -170.4(8) . . . . ?
C23C C24C C25C N3C -0.6(17) . . . . ?
C30C N4C C26C C27C -0.9(14) . . . . ?
Co4A N4C C26C C27C -174.8(7) . . . . ?
N4C C26C C27C C28C -0.5(15) . . . . ?
N4C C26C C27C Si2C 176.7(7) . . . . ?
C26C C27C C28C C29C 1.4(15) . . . . ?
Si2C C27C C28C C29C -175.8(8) . . . . ?
C27C C28C C29C C30C -0.8(15) . . . . ?
C26C N4C C30C C29C 1.5(15) . . . . ?
Co4A N4C C30C C29C 175.4(8) . . . . ?
C28C C29C C30C N4C -0.6(16) . . . . ?
C22C Si2C C31C C32C 175.2(10) . . . . ?
C36C Si2C C31C C32C 53.8(12) . . . . ?
C27C Si2C C31C C32C -72.2(12) . . . . ?
C22C Si2C C31C C35C 53.8(12) . . . . ?
C36C Si2C C31C C35C -67.6(12) . . . . ?
C27C Si2C C31C C35C 166.4(10) . . . . ?
C35C C31C C32C C33C 1.0(16) . . . . ?
Si2C C31C C32C C33C -124.0(12) . . . . ?
C31C C32C C33C C34C -24.2(17) . . . . ?
C32C C33C C34C C35C 38.7(17) . . . . ?
C33C C34C C35C C31C -38.4(18) . . . . ?
C32C C31C C35C C34C 24.8(18) . . . . ?
Si2C C31C C35C C34C 151.6(12) . . . . ?
C40C C36C C37C C38C 29.0(17) . . . . ?
Si2C C36C C37C C38C 154.8(11) . . . . ?
C36C C37C C38C C39C -14.8(19) . . . . ?
C37C C38C C39C C40C -4(2) . . . . ?
C37C C36C C40C C39C -32.6(17) . . . . ?
Si2C C36C C40C C39C -157.4(11) . . . . ?
C38C C39C C40C C36C 22.4(18) . . . . ?
C5D N1D C1D C2D -4.2(19) . . . . ?
Co4A N1D C1D C2D 179.1(11) . . . . ?
N1D C1D C2D C3D 7(2) . . . . ?
N1D C1D C2D Si1D 175.9(10) . . . . ?
C11D Si1D C2D C1D 10.9(17) . . . . ?
C7D Si1D C2D C1D 139.8(14) . . . . ?
C16D Si1D C2D C1D -101.7(15) . . . . ?
C11D Si1D C2D C3D 179.1(13) . . . . ?
C7D Si1D C2D C3D -52.0(14) . . . . ?
C16D Si1D C2D C3D 66.5(14) . . . . ?
C1D C2D C3D C4D -8(2) . . . . ?
Si1D C2D C3D C4D -176.9(10) . . . . ?
C2D C3D C4D C5D 5(2) . . . . ?
C3D C4D C5D N1D -2(2) . . . . ?
C1D N1D C5D C4D 1.4(19) . . . . ?
Co4A N1D C5D C4D 178.1(11) . . . . ?
C10D N2D C6D C7D 0(2) . . . . ?
Co5A N2D C6D C7D 178.0(12) . . . . ?
N2D C6D C7D C8D -3(2) . . . . ?
N2D C6D C7D Si1D -175.5(12) . . . . ?
C11D Si1D C7D C6D 81.9(16) . . . . ?
C16D Si1D C7D C6D -167.7(14) . . . . ?
C2D Si1D C7D C6D -42.4(16) . . . . ?
C11D Si1D C7D C8D -89.3(17) . . . . ?
C16D Si1D C7D C8D 21.1(18) . . . . ?
C2D Si1D C7D C8D 146.4(15) . . . . ?
C6D C7D C8D C9D 5(2) . . . . ?
Si1D C7D C8D C9D 177.2(14) . . . . ?
C7D C8D C9D C10D -4(3) . . . . ?
C8D C9D C10D N2D 0(2) . . . . ?
C6D N2D C10D C9D 2(2) . . . . ?
Co5A N2D C10D C9D -176.3(12) . . . . ?
C7D Si1D C11D C15D -64.3(17) . . . . ?
C16D Si1D C11D C15D -179.8(15) . . . . ?
C2D Si1D C11D C15D 55.7(17) . . . . ?
C7D Si1D C11D C12D 59.2(17) . . . . ?
C16D Si1D C11D C12D -56.3(16) . . . . ?
C2D Si1D C11D C12D 179.2(13) . . . . ?
C15D C11D C12D C13D 23(2) . . . . ?
Si1D C11D C12D C13D -105.2(17) . . . . ?
C11D C12D C13D C14D -59(2) . . . . ?
C12D C13D C14D C15D 67.2(19) . . . . ?
C12D C11D C15D C14D 15(2) . . . . ?
Si1D C11D C15D C14D 138.2(15) . . . . ?
C13D C14D C15D C11D -45(2) . . . . ?
C11D Si1D C16D C20D -168.0(17) . . . . ?
C7D Si1D C16D C20D 67.9(18) . . . . ?
C2D Si1D C16D C20D -48.1(19) . . . . ?
C11D Si1D C16D C17D -52.4(18) . . . . ?
C7D Si1D C16D C17D -176.5(15) . . . . ?
C2D Si1D C16D C17D 67.5(18) . . . . ?
C20D C16D C17D C18D -20(3) . . . . ?
Si1D C16D C17D C18D -144(2) . . . . ?
C16D C17D C18D C19D -1(3) . . . . ?
C17D C18D C19D C20D 23(3) . . . . ?
C17D C16D C20D C19D 29(2) . . . . ?
Si1D C16D C20D C19D 150.5(15) . . . . ?
C18D C19D C20D C16D -36(3) . . . . ?
C25D N3D C21D C22D -4.4(17) . . . . ?
Co4A N3D C21D C22D 174.0(9) . . . . ?
N3D C21D C22D C23D 4.9(18) . . . . ?
N3D C21D C22D Si2D 176.6(9) . . . . ?
C27D Si2D C22D C21D -42.5(11) . . . . ?
C31D Si2D C22D C21D 77.4(11) . . . . ?
C36D Si2D C22D C21D -160.9(10) . . . . ?
C27D Si2D C22D C23D 128.9(10) . . . . ?
C31D Si2D C22D C23D -111.2(11) . . . . ?
C36D Si2D C22D C23D 10.5(13) . . . . ?
C21D C22D C23D C24D -5.7(17) . . . . ?
Si2D C22D C23D C24D -177.2(10) . . . . ?
C22D C23D C24D C25D 6.3(18) . . . . ?
C21D N3D C25D C24D 4.9(17) . . . . ?
Co4A N3D C25D C24D -173.5(9) . . . . ?
C23D C24D C25D N3D -6.0(19) . . . . ?
C30D N4D C26D C27D -4.4(17) . . . . ?
Co5A N4D C26D C27D -179.8(9) . . . . ?
N4D C26D C27D C28D 3.4(17) . . . . ?
N4D C26D C27D Si2D -179.4(9) . . . . ?
C31D Si2D C27D C28D -161.4(10) . . . . ?
C22D Si2D C27D C28D -45.1(11) . . . . ?
C36D Si2D C27D C28D 73.5(11) . . . . ?
C31D Si2D C27D C26D 21.5(12) . . . . ?
C22D Si2D C27D C26D 137.7(10) . . . . ?
C36D Si2D C27D C26D -103.6(10) . . . . ?
C26D C27D C28D C29D 1.4(17) . . . . ?
Si2D C27D C28D C29D -175.8(9) . . . . ?
C27D C28D C29D C30D -5.1(18) . . . . ?
C28D C29D C30D N4D 4(2) . . . . ?
C26D N4D C30D C29D 0.6(19) . . . . ?
Co5A N4D C30D C29D 175.8(10) . . . . ?
C27D Si2D C31D C35D 74.7(13) . . . . ?
C22D Si2D C31D C35D -40.8(13) . . . . ?
C36D Si2D C31D C35D -161.5(11) . . . . ?
C27D Si2D C31D C32D -163.4(10) . . . . ?
C22D Si2D C31D C32D 81.2(12) . . . . ?
C36D Si2D C31D C32D -39.5(13) . . . . ?
C35D C31D C32D C33D -32.8(16) . . . . ?
Si2D C31D C32D C33D -163.9(11) . . . . ?
C31D C32D C33D C34D 19.7(19) . . . . ?
C32D C33D C34D C35D 1(2) . . . . ?
C32D C31D C35D C34D 32.4(15) . . . . ?
Si2D C31D C35D C34D 159.8(11) . . . . ?
C33D C34D C35D C31D -22.0(19) . . . . ?
C40D C36D C37D C38D 38.7(16) . . . . ?
Si2D C36D C37D C38D 160.6(11) . . . . ?
C36D C37D C38D C39D -22.2(19) . . . . ?
C37D C38D C39D C40D -3(2) . . . . ?
C37D C36D C40D C39D -38.4(16) . . . . ?
Si2D C36D C40D C39D -164.3(11) . . . . ?
C38D C39D C40D C36D 25.3(19) . . . . ?
C5E N1E C1E C2E -2.7(17) . . . . ?
Co5A N1E C1E C2E -173.9(9) . . . . ?
N1E C1E C2E C3E 3.0(17) . . . . ?
N1E C1E C2E Si1E 179.2(9) . . . . ?
C11E Si1E C2E C3E -157.0(11) . . . . ?
C16E Si1E C2E C3E 82.6(12) . . . . ?
C7E Si1E C2E C3E -35.2(12) . . . . ?
C11E Si1E C2E C1E 27.2(11) . . . . ?
C16E Si1E C2E C1E -93.2(10) . . . . ?
C7E Si1E C2E C1E 149.0(9) . . . . ?
C1E C2E C3E C4E -2.9(18) . . . . ?
Si1E C2E C3E C4E -178.8(10) . . . . ?
C2E C3E C4E C5E 3(2) . . . . ?
C1E N1E C5E C4E 2.1(18) . . . . ?
Co5A N1E C5E C4E 173.4(10) . . . . ?
C3E C4E C5E N1E -2(2) . . . . ?
C10E N2E C6E C7E 1.0(16) . . . . ?
Co6A N2E C6E C7E 178.4(9) . . . . ?
N2E C6E C7E C8E 3.9(17) . . . . ?
N2E C6E C7E Si1E 177.1(9) . . . . ?
C6E C7E C8E C9E -5.2(17) . . . . ?
Si1E C7E C8E C9E -178.0(9) . . . . ?
C7E C8E C9E C10E 1.8(19) . . . . ?
C8E C9E C10E N2E 3.3(19) . . . . ?
C6E N2E C10E C9E -4.7(17) . . . . ?
Co6A N2E C10E C9E 177.9(9) . . . . ?
C2E Si1E C11E C15E 57.8(12) . . . . ?
C16E Si1E C11E C15E 179.7(11) . . . . ?
C7E Si1E C11E C15E -58.1(12) . . . . ?
C2E Si1E C11E C12E 175.8(10) . . . . ?
C16E Si1E C11E C12E -62.3(12) . . . . ?
C7E Si1E C11E C12E 59.9(12) . . . . ?
C15E C11E C12E C13E -26.0(16) . . . . ?
Si1E C11E C12E C13E -155.3(12) . . . . ?
C11E C12E C13E C14E 5.3(18) . . . . ?
C12E C13E C14E C15E 19.1(17) . . . . ?
C13E C14E C15E C11E -37.0(16) . . . . ?
C12E C11E C15E C14E 38.6(15) . . . . ?
Si1E C11E C15E C14E 164.2(10) . . . . ?
C2E Si1E C16E C20E -44.8(13) . . . . ?
C11E Si1E C16E C20E -167.9(11) . . . . ?
C7E Si1E C16E C20E 68.4(12) . . . . ?
C2E Si1E C16E C17E 76.0(12) . . . . ?
C11E Si1E C16E C17E -47.0(12) . . . . ?
C7E Si1E C16E C17E -170.8(10) . . . . ?
C20E C16E C17E C18E -29.4(16) . . . . ?
Si1E C16E C17E C18E -156.4(11) . . . . ?
C16E C17E C18E C19E 27.0(17) . . . . ?
C17E C18E C19E C20E -14.4(17) . . . . ?
C17E C16E C20E C19E 20.0(16) . . . . ?
Si1E C16E C20E C19E 144.4(11) . . . . ?
C18E C19E C20E C16E -3.6(17) . . . . ?
C25E N3E C21E C22E 1(2) . . . . ?
Co5A N3E C21E C22E 176.6(10) . . . . ?
N3E C21E C22E C23E -2(2) . . . . ?
N3E C21E C22E Si2E 177.6(10) . . . . ?
C31E Si2E C22E C21E 77.4(12) . . . . ?
C27E Si2E C22E C21E -43.2(13) . . . . ?
C36E Si2E C22E C21E -163.1(11) . . . . ?
C31E Si2E C22E C23E -103.3(13) . . . . ?
C27E Si2E C22E C23E 136.1(12) . . . . ?
C36E Si2E C22E C23E 16.2(14) . . . . ?
C21E C22E C23E C24E 0(2) . . . . ?
Si2E C22E C23E C24E -179.6(11) . . . . ?
C22E C23E C24E C25E 2(2) . . . . ?
C21E N3E C25E C24E 0.8(18) . . . . ?
Co5A N3E C25E C24E -174.7(9) . . . . ?
C23E C24E C25E N3E -2.6(19) . . . . ?
C30E N4E C26E C27E -3.9(18) . . . . ?
Co6A N4E C26E C27E -174.2(10) . . . . ?
N4E C26E C27E C28E 2.5(19) . . . . ?
N4E C26E C27E Si2E 178.8(9) . . . . ?
C31E Si2E C27E C26E 24.7(14) . . . . ?
C22E Si2E C27E C26E 143.4(11) . . . . ?
C36E Si2E C27E C26E -96.2(12) . . . . ?
C31E Si2E C27E C28E -159.2(11) . . . . ?
C22E Si2E C27E C28E -40.4(12) . . . . ?
C36E Si2E C27E C28E 79.9(12) . . . . ?
C26E C27E C28E C29E -1.4(18) . . . . ?
Si2E C27E C28E C29E -177.9(10) . . . . ?
C27E C28E C29E C30E 2.0(18) . . . . ?
C26E N4E C30E C29E 4.3(17) . . . . ?
Co6A N4E C30E C29E 174.8(9) . . . . ?
C28E C29E C30E N4E -3.6(19) . . . . ?
C22E Si2E C31E C35E 65.6(14) . . . . ?
C27E Si2E C31E C35E -174.2(12) . . . . ?
C36E Si2E C31E C35E -53.8(15) . . . . ?
C22E Si2E C31E C32E -59.1(13) . . . . ?
C27E Si2E C31E C32E 61.0(14) . . . . ?
C36E Si2E C31E C32E -178.5(12) . . . . ?
C35E C31E C32E C33E 29(2) . . . . ?
Si2E C31E C32E C33E 158.3(14) . . . . ?
C31E C32E C33E C34E -38(2) . . . . ?
C32E C33E C34E C35E 43(2) . . . . ?
C33E C34E C35E C31E -26(2) . . . . ?
C32E C31E C35E C34E -2.0(18) . . . . ?
Si2E C31E C35E C34E -129.9(14) . . . . ?
C31E Si2E C36E C40E -64.0(15) . . . . ?
C22E Si2E C36E C40E 178.0(12) . . . . ?
C27E Si2E C36E C40E 57.5(14) . . . . ?
C31E Si2E C36E C37E 173.9(13) . . . . ?
C22E Si2E C36E C37E 55.8(14) . . . . ?
C27E Si2E C36E C37E -64.6(14) . . . . ?
C40E C36E C37E C38E 25.8(18) . . . . ?
Si2E C36E C37E C38E 153.6(12) . . . . ?
C36E C37E C38E C39E -31(2) . . . . ?
C37E C38E C39E C40E 24(2) . . . . ?
C37E C36E C40E C39E -13(2) . . . . ?
Si2E C36E C40E C39E -141.1(14) . . . . ?
C38E C39E C40E C36E -7(2) . . . . ?
C5F N1F C1F C2F 0.6(16) . . . . ?
Co6A N1F C1F C2F 176.3(9) . . . . ?
N1F C1F C2F C3F 0.2(17) . . . . ?
N1F C1F C2F Si1F 177.4(8) . . . . ?
C11F Si1F C2F C1F 9.3(12) . . . . ?
C7F Si1F C2F C1F 128.5(9) . . . . ?
C16F Si1F C2F C1F -115.7(10) . . . . ?
C11F Si1F C2F C3F -173.6(9) . . . . ?
C7F Si1F C2F C3F -54.4(10) . . . . ?
C16F Si1F C2F C3F 61.4(11) . . . . ?
C1F C2F C3F C4F -1.9(16) . . . . ?
Si1F C2F C3F C4F -179.2(9) . . . . ?
C2F C3F C4F C5F 2.8(17) . . . . ?
C1F N1F C5F C4F 0.3(16) . . . . ?
Co6A N1F C5F C4F -175.6(9) . . . . ?
C3F C4F C5F N1F -1.9(18) . . . . ?
C10F N2F C6F C7F 0.4(16) . . . . ?
Co1A N2F C6F C7F 180.0(8) . . . . ?
N2F C6F C7F C8F -2.7(15) . . . . ?
N2F C6F C7F Si1F 176.4(8) . . . . ?
C11F Si1F C7F C6F 76.4(10) . . . . ?
C2F Si1F C7F C6F -44.2(10) . . . . ?
C16F Si1F C7F C6F -162.2(9) . . . . ?
C11F Si1F C7F C8F -104.7(10) . . . . ?
C2F Si1F C7F C8F 134.7(9) . . . . ?
C16F Si1F C7F C8F 16.7(11) . . . . ?
C6F C7F C8F C9F 4.2(15) . . . . ?
Si1F C7F C8F C9F -174.8(9) . . . . ?
C7F C8F C9F C10F -3.6(17) . . . . ?
C6F N2F C10F C9F 0.6(16) . . . . ?
Co1A N2F C10F C9F -179.1(9) . . . . ?
C8F C9F C10F N2F 1.0(17) . . . . ?
C7F Si1F C11F C15F -176.9(10) . . . . ?
C2F Si1F C11F C15F -59.9(12) . . . . ?
C16F Si1F C11F C15F 64.5(12) . . . . ?
C7F Si1F C11F C12F 63.7(12) . . . . ?
C2F Si1F C11F C12F -179.4(10) . . . . ?
C16F Si1F C11F C12F -55.0(12) . . . . ?
C15F C11F C12F C13F 22.8(15) . . . . ?
Si1F C11F C12F C13F 151.0(11) . . . . ?
C11F C12F C13F C14F -39.4(18) . . . . ?
C12F C13F C14F C15F 37.6(18) . . . . ?
C13F C14F C15F C11F -21.5(17) . . . . ?
C12F C11F C15F C14F -2.1(16) . . . . ?
Si1F C11F C15F C14F -126.5(12) . . . . ?
C11F Si1F C16F C17F -62.4(14) . . . . ?
C7F Si1F C16F C17F 177.5(12) . . . . ?
C2F Si1F C16F C17F 62.6(14) . . . . ?
C11F Si1F C16F C20F 172.1(11) . . . . ?
C7F Si1F C16F C20F 52.0(13) . . . . ?
C2F Si1F C16F C20F -62.8(13) . . . . ?
C20F C16F C17F C18F -30.3(18) . . . . ?
Si1F C16F C17F C18F -163.5(12) . . . . ?
C16F C17F C18F C19F 0(2) . . . . ?
C17F C18F C19F C20F 28(2) . . . . ?
C17F C16F C20F C19F 44.4(15) . . . . ?
Si1F C16F C20F C19F 176.3(11) . . . . ?
C18F C19F C20F C16F -45.3(17) . . . . ?
C25F N3F C21F C22F 3.7(18) . . . . ?
Co6A N3F C21F C22F 175.0(10) . . . . ?
N3F C21F C22F C23F -3.3(19) . . . . ?
N3F C21F C22F Si2F 177.6(10) . . . . ?
C31F Si2F C22F C21F 72.3(12) . . . . ?
C27F Si2F C22F C21F -46.4(11) . . . . ?
C36F Si2F C22F C21F -163.8(11) . . . . ?
C31F Si2F C22F C23F -106.6(12) . . . . ?
C27F Si2F C22F C23F 134.7(11) . . . . ?
C36F Si2F C22F C23F 17.3(14) . . . . ?
C21F C22F C23F C24F 2.5(18) . . . . ?
Si2F C22F C23F C24F -178.5(11) . . . . ?
C22F C23F C24F C25F -3(2) . . . . ?
C23F C24F C25F N3F 3(2) . . . . ?
C21F N3F C25F C24F -3.4(18) . . . . ?
Co6A N3F C25F C24F -174.6(10) . . . . ?
C30F N4F C26F C27F -2.8(17) . . . . ?
Co1A N4F C26F C27F -175.9(9) . . . . ?
N4F C26F C27F C28F 1.1(18) . . . . ?
N4F C26F C27F Si2F 178.4(9) . . . . ?
C31F Si2F C27F C26F 17.4(13) . . . . ?
C22F Si2F C27F C26F 133.1(10) . . . . ?
C36F Si2F C27F C26F -109.3(11) . . . . ?
C31F Si2F C27F C28F -165.3(10) . . . . ?
C22F Si2F C27F C28F -49.6(11) . . . . ?
C36F Si2F C27F C28F 68.0(11) . . . . ?
C26F C27F C28F C29F -0.4(17) . . . . ?
Si2F C27F C28F C29F -177.8(9) . . . . ?
C27F C28F C29F C30F 1.5(18) . . . . ?
C26F N4F C30F C29F 3.8(17) . . . . ?
Co1A N4F C30F C29F 177.3(9) . . . . ?
C28F C29F C30F N4F -3.2(18) . . . . ?
C22F Si2F C31F C35F 54.4(14) . . . . ?
C27F Si2F C31F C35F 168.2(12) . . . . ?
C36F Si2F C31F C35F -67.3(15) . . . . ?
C22F Si2F C31F C32F -177.7(12) . . . . ?
C27F Si2F C31F C32F -63.8(14) . . . . ?
C36F Si2F C31F C32F 60.7(14) . . . . ?
C35F C31F C32F C33F 9(2) . . . . ?
Si2F C31F C32F C33F -123.8(16) . . . . ?
C31F C32F C33F C34F -22(2) . . . . ?
C32F C33F C34F C35F 27(2) . . . . ?
C33F C34F C35F C31F -22(2) . . . . ?
C32F C31F C35F C34F 8(2) . . . . ?
Si2F C31F C35F C34F 142.4(15) . . . . ?
C40F C36F C37F C38F 1(2) . . . . ?
Si2F C36F C37F C38F 126.5(16) . . . . ?
C36F C37F C38F C39F -26(2) . . . . ?
C37F C38F C39F C40F 42(2) . . . . ?
C38F C39F C40F C36F -41.6(18) . . . . ?
C37F C36F C40F C39F 25.0(18) . . . . ?
Si2F C36F C40F C39F -101.6(16) . . . . ?
C5G N1G C1G C2G -0.7(15) . . . . ?
Co1B N1G C1G C2G -171.8(8) . . . . ?
N1G C1G C2G C3G 1.9(17) . . . . ?
N1G C1G C2G Si1G -178.2(8) . . . . ?
C1G C2G C3G C4G -1.9(17) . . . . ?
Si1G C2G C3G C4G 178.1(9) . . . . ?
C2G C3G C4G C5G 1.0(18) . . . . ?
C3G C4G C5G N1G 0.2(19) . . . . ?
C1G N1G C5G C4G -0.4(16) . . . . ?
Co1B N1G C5G C4G 170.5(9) . . . . ?
C10G N2G C6G C7G 0.9(14) . . . . ?
Co2B N2G C6G C7G -177.2(7) . . . . ?
N2G C6G C7G C8G -0.7(15) . . . . ?
N2G C6G C7G Si1G -177.3(8) . . . . ?
C16G Si1G C7G C8G -74.5(10) . . . . ?
C11G Si1G C7G C8G 163.3(9) . . . . ?
C2G Si1G C7G C8G 44.6(10) . . . . ?
C16G Si1G C7G C6G 102.0(9) . . . . ?
C11G Si1G C7G C6G -20.1(11) . . . . ?
C2G Si1G C7G C6G -138.8(9) . . . . ?
C6G C7G C8G C9G -0.9(15) . . . . ?
Si1G C7G C8G C9G 175.8(8) . . . . ?
C7G C8G C9G C10G 2.2(16) . . . . ?
C6G N2G C10G C9G 0.6(16) . . . . ?
Co2B N2G C10G C9G 178.7(8) . . . . ?
C8G C9G C10G N2G -2.1(16) . . . . ?
C14G C15G C11G C12G 38.0(16) . . . . ?
C14G C15G C11G Si1G 169.4(11) . . . . ?
C16G Si1G C11G C12G 169.9(11) . . . . ?
C7G Si1G C11G C12G -70.8(13) . . . . ?
C2G Si1G C11G C12G 46.5(13) . . . . ?
C16G Si1G C11G C15G 45.6(13) . . . . ?
C7G Si1G C11G C15G 164.9(10) . . . . ?
C2G Si1G C11G C15G -77.8(11) . . . . ?
C15G C11G C12G C13G -38.2(16) . . . . ?
Si1G C11G C12G C13G -165.7(11) . . . . ?
C11G C12G C13G C14G 22.2(18) . . . . ?
C12G C13G C14G C15G 2(2) . . . . ?
C11G C15G C14G C13G -23.8(19) . . . . ?
C11G Si1G C16G C17G -176.4(10) . . . . ?
C7G Si1G C16G C17G 61.3(11) . . . . ?
C2G Si1G C16G C17G -54.6(12) . . . . ?
C11G Si1G C16G C20G 58.6(12) . . . . ?
C7G Si1G C16G C20G -63.7(11) . . . . ?
C2G Si1G C16G C20G -179.6(10) . . . . ?
C20G C16G C17G C18G -20.8(15) . . . . ?
Si1G C16G C17G C18G -152.1(11) . . . . ?
C16G C17G C18G C19G 35.8(17) . . . . ?
C17G C18G C19G C20G -35.3(18) . . . . ?
C18G C19G C20G C16G 23.0(19) . . . . ?
C17G C16G C20G C19G -0.6(17) . . . . ?
Si1G C16G C20G C19G 131.0(13) . . . . ?
C25G N3G C21G C22G -1.5(15) . . . . ?
Co1B N3G C21G C22G 174.4(8) . . . . ?
N3G C21G C22G C23G 2.8(16) . . . . ?
N3G C21G C22G Si2G -174.2(8) . . . . ?
C27G Si2G C22G C23G 53.1(10) . . . . ?
C31G Si2G C22G C23G 175.1(9) . . . . ?
C36G Si2G C22G C23G -66.1(11) . . . . ?
C27G Si2G C22G C21G -130.1(9) . . . . ?
C31G Si2G C22G C21G -8.1(11) . . . . ?
C36G Si2G C22G C21G 110.7(10) . . . . ?
C21G C22G C23G C24G -1.8(16) . . . . ?
Si2G C22G C23G C24G 175.2(8) . . . . ?
C22G C23G C24G C25G -0.3(17) . . . . ?
C23G C24G C25G N3G 1.7(17) . . . . ?
C21G N3G C25G C24G -0.8(15) . . . . ?
Co1B N3G C25G C24G -176.7(9) . . . . ?
C30G N4G C26G C27G -5.3(16) . . . . ?
Co2B N4G C26G C27G -179.7(9) . . . . ?
N4G C26G C27G C28G 3.5(17) . . . . ?
N4G C26G C27G Si2G -179.9(9) . . . . ?
C31G Si2G C27G C26G -81.8(11) . . . . ?
C22G Si2G C27G C26G 42.2(11) . . . . ?
C36G Si2G C27G C26G 160.0(10) . . . . ?
C31G Si2G C27G C28G 94.5(12) . . . . ?
C22G Si2G C27G C28G -141.4(11) . . . . ?
C36G Si2G C27G C28G -23.7(13) . . . . ?
C26G C27G C28G C29G -3.2(18) . . . . ?
Si2G C27G C28G C29G -179.7(10) . . . . ?
C27G C28G C29G C30G 4.6(18) . . . . ?
C26G N4G C30G C29G 7.1(16) . . . . ?
Co2B N4G C30G C29G -178.3(9) . . . . ?
C28G C29G C30G N4G -6.7(18) . . . . ?
C27G Si2G C31G C35G 73.6(12) . . . . ?
C22G Si2G C31G C35G -45.4(13) . . . . ?
C36G Si2G C31G C35G -165.5(11) . . . . ?
C27G Si2G C31G C32G -52.5(13) . . . . ?
C22G Si2G C31G C32G -171.5(10) . . . . ?
C36G Si2G C31G C32G 68.4(12) . . . . ?
C35G C31G C32G C33G 30.6(18) . . . . ?
Si2G C31G C32G C33G 160.7(12) . . . . ?
C31G C32G C33G C34G -34(2) . . . . ?
C32G C33G C34G C35G 25(2) . . . . ?
C32G C31G C35G C34G -16.5(17) . . . . ?
Si2G C31G C35G C34G -142.7(11) . . . . ?
C33G C34G C35G C31G -4.0(18) . . . . ?
C38G C37G C36G C40G 23.7(17) . . . . ?
C38G C37G C36G Si2G 150.6(13) . . . . ?
C36G C37G C38G C39G -18(2) . . . . ?
C37G C38G C39G C40G 2(2) . . . . ?
C38G C39G C40G C36G 17(2) . . . . ?
C37G C36G C40G C39G -29(2) . . . . ?
Si2G C36G C40G C39G -156.6(15) . . . . ?
C5H N1H C1H C2H 2.5(17) . . . . ?
Co2B N1H C1H C2H -179.4(9) . . . . ?
N1H C1H C2H C3H -2.6(18) . . . . ?
N1H C1H C2H Si1H -178.5(9) . . . . ?
C16H Si1H C2H C1H 164.6(10) . . . . ?
C11H Si1H C2H C1H -73.8(11) . . . . ?
C7H Si1H C2H C1H 46.0(11) . . . . ?
C16H Si1H C2H C3H -11.1(13) . . . . ?
C11H Si1H C2H C3H 110.5(11) . . . . ?
C7H Si1H C2H C3H -129.7(11) . . . . ?
C1H C2H C3H C4H 4.0(19) . . . . ?
Si1H C2H C3H C4H 179.8(10) . . . . ?
C2H C3H C4H C5H -5.4(19) . . . . ?
C1H N1H C5H C4H -4.0(17) . . . . ?
Co2B N1H C5H C4H 177.9(9) . . . . ?
C3H C4H C5H N1H 5.4(18) . . . . ?
C10H N2H C6H C7H -1.5(14) . . . . ?
Co3B N2H C6H C7H 179.1(8) . . . . ?
N2H C6H C7H C8H -0.6(15) . . . . ?
N2H C6H C7H Si1H -174.5(7) . . . . ?
C6H C7H C8H C9H 1.8(15) . . . . ?
Si1H C7H C8H C9H 175.7(9) . . . . ?
C7H C8H C9H C10H -0.7(16) . . . . ?
C6H N2H C10H C9H 2.8(15) . . . . ?
Co3B N2H C10H C9H -177.9(8) . . . . ?
C8H C9H C10H N2H -1.6(16) . . . . ?
C16H Si1H C11H C15H 59.1(12) . . . . ?
C2H Si1H C11H C15H -60.6(12) . . . . ?
C7H Si1H C11H C15H -179.3(10) . . . . ?
C16H Si1H C11H C12H 176.4(10) . . . . ?
C2H Si1H C11H C12H 56.7(11) . . . . ?
C7H Si1H C11H C12H -62.0(11) . . . . ?
C15H C11H C12H C13H -31.0(17) . . . . ?
Si1H C11H C12H C13H -157.7(12) . . . . ?
C11H C12H C13H C14H 20.9(19) . . . . ?
C12H C13H C14H C15H -3(2) . . . . ?
C12H C11H C15H C14H 26.2(16) . . . . ?
Si1H C11H C15H C14H 153.1(12) . . . . ?
C13H C14H C15H C11H -17(2) . . . . ?
C11H Si1H C16H C17H 179.8(11) . . . . ?
C2H Si1H C16H C17H -59.7(13) . . . . ?
C7H Si1H C16H C17H 57.9(12) . . . . ?
C11H Si1H C16H C20H 57.2(12) . . . . ?
C2H Si1H C16H C20H 177.8(10) . . . . ?
C7H Si1H C16H C20H -64.6(12) . . . . ?
C20H C16H C17H C18H -28.6(17) . . . . ?
Si1H C16H C17H C18H -154.1(11) . . . . ?
C16H C17H C18H C19H 26(2) . . . . ?
C17H C18H C19H C20H -13(2) . . . . ?
C18H C19H C20H C16H -4(2) . . . . ?
C17H C16H C20H C19H 20.2(17) . . . . ?
Si1H C16H C20H C19H 149.2(12) . . . . ?
C25H N3H C21H C22H -5.1(14) . . . . ?
Co2B N3H C21H C22H 175.9(7) . . . . ?
N3H C21H C22H C23H 1.7(15) . . . . ?
N3H C21H C22H Si2H -176.9(8) . . . . ?
C36H Si2H C22H C23H -83.4(10) . . . . ?
C27H Si2H C22H C23H 32.8(10) . . . . ?
C31H Si2H C22H C23H 153.3(10) . . . . ?
C36H Si2H C22H C21H 95.0(10) . . . . ?
C27H Si2H C22H C21H -148.8(9) . . . . ?
C31H Si2H C22H C21H -28.3(11) . . . . ?
C21H C22H C23H C24H -0.3(15) . . . . ?
Si2H C22H C23H C24H 178.2(8) . . . . ?
C22H C23H C24H C25H 2.4(15) . . . . ?
C23H C24H C25H N3H -6.2(15) . . . . ?
C21H N3H C25H C24H 7.5(15) . . . . ?
Co2B N3H C25H C24H -173.4(8) . . . . ?
C30H N4H C26H C27H -1.0(16) . . . . ?
Co3B N4H C26H C27H 179.7(8) . . . . ?
N4H C26H C27H C28H 1.9(17) . . . . ?
N4H C26H C27H Si2H -176.4(8) . . . . ?
C26H C27H C28H C29H -1.0(17) . . . . ?
Si2H C27H C28H C29H 177.3(9) . . . . ?
C27H C28H C29H C30H -0.8(18) . . . . ?
C28H C29H C30H N4H 1.7(18) . . . . ?
C26H N4H C30H C29H -0.8(16) . . . . ?
Co3B N4H C30H C29H 178.4(9) . . . . ?
C35H C31H C32H C33H -39.5(14) . . . . ?
Si2H C31H C32H C33H -165.5(10) . . . . ?
C31H C32H C33H C34H 38.2(17) . . . . ?
C32H C33H C34H C35H -20(2) . . . . ?
C33H C34H C35H C31H -4(2) . . . . ?
C32H C31H C35H C34H 27.8(16) . . . . ?
Si2H C31H C35H C34H 157.5(12) . . . . ?
C40H C36H C37H C38H 28.3(17) . . . . ?
Si2H C36H C37H C38H 149.9(13) . . . . ?
C36H C37H C38H C39H -25(2) . . . . ?
C37H C38H C39H C40H 15(2) . . . . ?
C37H C36H C40H C39H -18.7(16) . . . . ?
Si2H C36H C40H C39H -134.0(12) . . . . ?
C38H C39H C40H C36H 5(2) . . . . ?
C5I N1I C1I C2I 2.2(17) . . . . ?
Co3B N1I C1I C2I -176.8(9) . . . . ?
N1I C1I C2I C3I -0.7(17) . . . . ?
N1I C1I C2I Si1I 175.4(9) . . . . ?
C16I Si1I C2I C1I 163.5(11) . . . . ?
C11I Si1I C2I C1I -72.8(11) . . . . ?
C7I Si1I C2I C1I 45.2(10) . . . . ?
C16I Si1I C2I C3I -20.8(13) . . . . ?
C11I Si1I C2I C3I 103.0(11) . . . . ?
C7I Si1I C2I C3I -139.0(10) . . . . ?
C1I C2I C3I C4I -1.9(16) . . . . ?
Si1I C2I C3I C4I -177.7(9) . . . . ?
C2I C3I C4I C5I 2.9(18) . . . . ?
C3I C4I C5I N1I -1(2) . . . . ?
C1I N1I C5I C4I -1.0(17) . . . . ?
Co3B N1I C5I C4I 178.0(10) . . . . ?
C10I N2I C6I C7I -2.1(16) . . . . ?
Co4B N2I C6I C7I 172.5(8) . . . . ?
N2I C6I C7I C8I 3.2(17) . . . . ?
N2I C6I C7I Si1I -175.7(9) . . . . ?
C16I Si1I C7I C8I -67.0(11) . . . . ?
C2I Si1I C7I C8I 53.8(10) . . . . ?
C11I Si1I C7I C8I 169.2(10) . . . . ?
C16I Si1I C7I C6I 111.8(11) . . . . ?
C2I Si1I C7I C6I -127.4(10) . . . . ?
C11I Si1I C7I C6I -11.9(12) . . . . ?
C6I C7I C8I C9I -2.9(16) . . . . ?
Si1I C7I C8I C9I 176.0(8) . . . . ?
C7I C8I C9I C10I 1.8(17) . . . . ?
C8I C9I C10I N2I -0.7(16) . . . . ?
C6I N2I C10I C9I 0.7(15) . . . . ?
Co4B N2I C10I C9I -174.3(8) . . . . ?
C16I Si1I C11I C12I -55.0(17) . . . . ?
C2I Si1I C11I C12I -179.4(14) . . . . ?
C7I Si1I C11I C12I 67.2(17) . . . . ?
C16I Si1I C11I C15I 77.2(14) . . . . ?
C2I Si1I C11I C15I -47.2(14) . . . . ?
C7I Si1I C11I C15I -160.6(12) . . . . ?
C15I C11I C12I C13I -11(2) . . . . ?
Si1I C11I C12I C13I 123.1(16) . . . . ?
C11I C12I C13I C14I 31(2) . . . . ?
C12I C13I C14I C15I -40(2) . . . . ?
C13I C14I C15I C11I 33(2) . . . . ?
C12I C11I C15I C14I -12(2) . . . . ?
Si1I C11I C15I C14I -153.9(14) . . . . ?
C2I Si1I C16I C17I -37(2) . . . . ?
C11I Si1I C16I C17I -158.8(18) . . . . ?
C7I Si1I C16I C17I 77.8(19) . . . . ?
C2I Si1I C16I C20I -155.1(14) . . . . ?
C11I Si1I C16I C20I 83.5(16) . . . . ?
C7I Si1I C16I C20I -39.8(16) . . . . ?
C20I C16I C17I C18I -52.1(17) . . . . ?
Si1I C16I C17I C18I -176.9(14) . . . . ?
C16I C17I C18I C19I 64(2) . . . . ?
C17I C18I C19I C20I -38(2) . . . . ?
C17I C16I C20I C19I 29(2) . . . . ?
Si1I C16I C20I C19I 166.5(15) . . . . ?
C18I C19I C20I C16I 11(2) . . . . ?
C25I N3I C21I C22I -0.9(16) . . . . ?
Co3B N3I C21I C22I -179.2(8) . . . . ?
N3I C21I C22I C23I 3.8(16) . . . . ?
N3I C21I C22I Si2I -177.4(8) . . . . ?
C36I Si2I C22I C23I -68.7(11) . . . . ?
C27I Si2I C22I C23I 49.0(10) . . . . ?
C31I Si2I C22I C23I 165.5(9) . . . . ?
C36I Si2I C22I C21I 112.6(10) . . . . ?
C27I Si2I C22I C21I -129.6(9) . . . . ?
C31I Si2I C22I C21I -13.1(11) . . . . ?
C21I C22I C23I C24I -3.9(16) . . . . ?
Si2I C22I C23I C24I 177.3(9) . . . . ?
C22I C23I C24I C25I 1.4(18) . . . . ?
C23I C24I C25I N3I 1.9(17) . . . . ?
C21I N3I C25I C24I -2.1(15) . . . . ?
Co3B N3I C25I C24I 176.3(8) . . . . ?
C30I N4I C26I C27I -1.7(15) . . . . ?
Co4B N4I C26I C27I -177.9(8) . . . . ?
N4I C26I C27I C28I 0.7(16) . . . . ?
N4I C26I C27I Si2I -177.8(8) . . . . ?
C36I Si2I C27I C26I 160.7(9) . . . . ?
C22I Si2I C27I C26I 44.7(10) . . . . ?
C31I Si2I C27I C26I -72.9(10) . . . . ?
C36I Si2I C27I C28I -17.8(11) . . . . ?
C22I Si2I C27I C28I -133.7(9) . . . . ?
C31I Si2I C27I C28I 108.7(10) . . . . ?
C26I C27I C28I C29I 0.2(16) . . . . ?
Si2I C27I C28I C29I 178.7(9) . . . . ?
C27I C28I C29I C30I -0.1(18) . . . . ?
C26I N4I C30I C29I 1.8(15) . . . . ?
Co4B N4I C30I C29I 178.0(9) . . . . ?
C28I C29I C30I N4I -1.0(19) . . . . ?
C36I Si2I C31I C32I 64.0(12) . . . . ?
C22I Si2I C31I C32I -174.2(10) . . . . ?
C27I Si2I C31I C32I -60.0(12) . . . . ?
C36I Si2I C31I C35I -58.1(12) . . . . ?
C22I Si2I C31I C35I 63.7(12) . . . . ?
C27I Si2I C31I C35I 177.9(10) . . . . ?
C35I C31I C32I C33I -23.9(15) . . . . ?
Si2I C31I C32I C33I -150.2(11) . . . . ?
C31I C32I C33I C34I 36.7(17) . . . . ?
C32I C33I C34I C35I -34.0(17) . . . . ?
C33I C34I C35I C31I 17.3(16) . . . . ?
C32I C31I C35I C34I 4.7(16) . . . . ?
Si2I C31I C35I C34I 128.3(11) . . . . ?
C22I Si2I C36I C40I 58.8(14) . . . . ?
C27I Si2I C36I C40I -55.2(14) . . . . ?
C31I Si2I C36I C40I -178.1(12) . . . . ?
C22I Si2I C36I C37I -68.3(12) . . . . ?
C27I Si2I C36I C37I 177.7(11) . . . . ?
C31I Si2I C36I C37I 54.7(13) . . . . ?
C40I C36I C37I C38I 28.9(16) . . . . ?
Si2I C36I C37I C38I 164.5(12) . . . . ?
C36I C37I C38I C39I -26.2(19) . . . . ?
C37I C38I C39I C40I 13(2) . . . . ?
C37I C36I C40I C39I -22.6(17) . . . . ?
Si2I C36I C40I C39I -156.0(12) . . . . ?
C38I C39I C40I C36I 7(2) . . . . ?
C5J N1J C1J C2J 3.3(17) . . . . ?
Co4B N1J C1J C2J -177.9(9) . . . . ?
N1J C1J C2J C3J 1.7(18) . . . . ?
N1J C1J C2J Si1J 179.9(9) . . . . ?
C16J Si1J C2J C3J -23.7(14) . . . . ?
C11J Si1J C2J C3J 99.2(13) . . . . ?
C7J Si1J C2J C3J -139.4(12) . . . . ?
C16J Si1J C2J C1J 158.3(10) . . . . ?
C11J Si1J C2J C1J -78.8(11) . . . . ?
C7J Si1J C2J C1J 42.7(11) . . . . ?
C1J C2J C3J C4J -5.3(18) . . . . ?
Si1J C2J C3J C4J 176.6(10) . . . . ?
C2J C3J C4J C5J 4.2(19) . . . . ?
C3J C4J C5J N1J 1.1(18) . . . . ?
C1J N1J C5J C4J -4.7(17) . . . . ?
Co4B N1J C5J C4J 176.4(9) . . . . ?
C10J N2J C6J C7J 0.8(16) . . . . ?
Co5B N2J C6J C7J 177.1(9) . . . . ?
N2J C6J C7J C8J 2.5(17) . . . . ?
N2J C6J C7J Si1J -179.5(9) . . . . ?
C2J Si1J C7J C8J 45.9(12) . . . . ?
C16J Si1J C7J C8J -69.0(12) . . . . ?
C11J Si1J C7J C8J 166.4(11) . . . . ?
C2J Si1J C7J C6J -131.9(10) . . . . ?
C16J Si1J C7J C6J 113.2(11) . . . . ?
C11J Si1J C7J C6J -11.4(12) . . . . ?
C6J C7J C8J C9J -5.4(17) . . . . ?
Si1J C7J C8J C9J 176.6(9) . . . . ?
C7J C8J C9J C10J 4.7(18) . . . . ?
C8J C9J C10J N2J -0.9(17) . . . . ?
C6J N2J C10J C9J -1.7(16) . . . . ?
Co5B N2J C10J C9J -178.1(9) . . . . ?
C2J Si1J C11J C12J -172.3(12) . . . . ?
C16J Si1J C11J C12J -52.5(14) . . . . ?
C7J Si1J C11J C12J 69.8(14) . . . . ?
C2J Si1J C11J C15J -60.0(14) . . . . ?
C16J Si1J C11J C15J 59.8(14) . . . . ?
C7J Si1J C11J C15J -177.9(11) . . . . ?
C15J C11J C12J C13J 6(2) . . . . ?
Si1J C11J C12J C13J 125.0(15) . . . . ?
C11J C12J C13J C14J 28(2) . . . . ?
C12J C13J C14J C15J -52.1(18) . . . . ?
C13J C14J C15J C11J 59.1(18) . . . . ?
C12J C11J C15J C14J -41.7(19) . . . . ?
Si1J C11J C15J C14J -166.7(14) . . . . ?
C2J Si1J C16J C17J -63.5(15) . . . . ?
C11J Si1J C16J C17J 174.9(13) . . . . ?
C7J Si1J C16J C17J 50.7(15) . . . . ?
C2J Si1J C16J C20J 177.6(12) . . . . ?
C11J Si1J C16J C20J 56.0(15) . . . . ?
C7J Si1J C16J C20J -68.3(14) . . . . ?
C20J C16J C17J C18J -38.2(17) . . . . ?
Si1J C16J C17J C18J -166.6(12) . . . . ?
C16J C17J C18J C19J 19(2) . . . . ?
C17J C18J C19J C20J 11(2) . . . . ?
C18J C19J C20J C16J -33(2) . . . . ?
C17J C16J C20J C19J 39.5(16) . . . . ?
Si1J C16J C20J C19J 170.4(13) . . . . ?
C25J N3J C21J C22J 7.9(16) . . . . ?
Co4B N3J C21J C22J 176.9(9) . . . . ?
N3J C21J C22J C23J -5.8(17) . . . . ?
N3J C21J C22J Si2J -179.3(8) . . . . ?
C36J Si2J C22J C23J -65.9(12) . . . . ?
C31J Si2J C22J C23J 174.2(10) . . . . ?
C27J Si2J C22J C23J 54.2(11) . . . . ?
C36J Si2J C22J C21J 107.1(11) . . . . ?
C31J Si2J C22J C21J -12.7(13) . . . . ?
C27J Si2J C22J C21J -132.8(10) . . . . ?
C21J C22J C23J C24J 1.6(17) . . . . ?
Si2J C22J C23J C24J 175.1(10) . . . . ?
C22J C23J C24J C25J 0(2) . . . . ?
C21J N3J C25J C24J -5.4(17) . . . . ?
Co4B N3J C25J C24J -174.3(9) . . . . ?
C23J C24J C25J N3J 1(2) . . . . ?
C30J N4J C26J C27J -4.1(18) . . . . ?
Co5B N4J C26J C27J -177.6(10) . . . . ?
N4J C26J C27J C28J -1(2) . . . . ?
N4J C26J C27J Si2J -176.9(10) . . . . ?
C26J C27J C28J C29J 4(2) . . . . ?
Si2J C27J C28J C29J -179.9(10) . . . . ?
C27J C28J C29J C30J -2(2) . . . . ?
C28J C29J C30J N4J -3(2) . . . . ?
C26J N4J C30J C29J 6.0(19) . . . . ?
Co5B N4J C30J C29J 179.9(11) . . . . ?
C22J Si2J C31J C35J -50.7(15) . . . . ?
C36J Si2J C31J C35J -173.4(13) . . . . ?
C27J Si2J C31J C35J 65.4(14) . . . . ?
C22J Si2J C31J C32J -169.8(11) . . . . ?
C36J Si2J C31J C32J 67.5(14) . . . . ?
C27J Si2J C31J C32J -53.6(14) . . . . ?
C35J C31J C32J C33J 30.8(19) . . . . ?
Si2J C31J C32J C33J 159.3(13) . . . . ?
C31J C32J C33J C34J -27(2) . . . . ?
C32J C33J C34J C35J 11(2) . . . . ?
C32J C31J C35J C34J -26(2) . . . . ?
Si2J C31J C35J C34J -148.9(13) . . . . ?
C33J C34J C35J C31J 10(2) . . . . ?
C22J Si2J C36J C40J 62.3(15) . . . . ?
C31J Si2J C36J C40J -173.5(14) . . . . ?
C27J Si2J C36J C40J -53.0(16) . . . . ?
C22J Si2J C36J C37J -66.5(14) . . . . ?
C31J Si2J C36J C37J 57.6(14) . . . . ?
C27J Si2J C36J C37J 178.1(12) . . . . ?
C40J C36J C37J C38J 20(2) . . . . ?
Si2J C36J C37J C38J 158.5(13) . . . . ?
C36J C37J C38J C39J -9(2) . . . . ?
C37J C38J C39J C40J -6(2) . . . . ?
C37J C36J C40J C39J -23.3(19) . . . . ?
Si2J C36J C40J C39J -154.3(13) . . . . ?
C38J C39J C40J C36J 19(2) . . . . ?
C5K N1K C1K C2K 3.9(16) . . . . ?
Co5B N1K C1K C2K -176.0(9) . . . . ?
N1K C1K C2K C3K 1.7(17) . . . . ?
N1K C1K C2K Si1K -178.1(8) . . . . ?
C7K Si1K C2K C1K 47.7(11) . . . . ?
C16K Si1K C2K C1K 165.9(10) . . . . ?
C11K Si1K C2K C1K -73.4(11) . . . . ?
C7K Si1K C2K C3K -132.2(10) . . . . ?
C16K Si1K C2K C3K -14.0(12) . . . . ?
C11K Si1K C2K C3K 106.8(10) . . . . ?
C1K C2K C3K C4K -5.3(16) . . . . ?
Si1K C2K C3K C4K 174.5(9) . . . . ?
C2K C3K C4K C5K 3.6(18) . . . . ?
C1K N1K C5K C4K -5.9(16) . . . . ?
Co5B N1K C5K C4K 174.1(9) . . . . ?
C3K C4K C5K N1K 2.1(19) . . . . ?
C10K N2K C6K C7K 2.8(16) . . . . ?
Co6B N2K C6K C7K 176.8(9) . . . . ?
N2K C6K C7K C8K -2.8(17) . . . . ?
N2K C6K C7K Si1K 179.7(8) . . . . ?
C2K Si1K C7K C6K -148.0(9) . . . . ?
C16K Si1K C7K C6K 92.7(10) . . . . ?
C11K Si1K C7K C6K -26.9(11) . . . . ?
C2K Si1K C7K C8K 34.8(11) . . . . ?
C16K Si1K C7K C8K -84.6(11) . . . . ?
C11K Si1K C7K C8K 155.8(10) . . . . ?
C6K C7K C8K C9K -0.9(17) . . . . ?
Si1K C7K C8K C9K 176.5(9) . . . . ?
C7K C8K C9K C10K 4.3(18) . . . . ?
C6K N2K C10K C9K 0.7(15) . . . . ?
Co6B N2K C10K C9K -173.7(8) . . . . ?
C8K C9K C10K N2K -4.2(17) . . . . ?
C15K C11K C12K C13K -41.4(14) . . . . ?
Si1K C11K C12K C13K -163.8(10) . . . . ?
C11K C12K C13K C14K 33.6(16) . . . . ?
C12K C13K C14K C15K -13.6(19) . . . . ?
C13K C14K C15K C11K -13.7(18) . . . . ?
C12K C11K C15K C14K 33.7(15) . . . . ?
Si1K C11K C15K C14K 155.3(11) . . . . ?
C7K Si1K C16K C20K -53.3(11) . . . . ?
C2K Si1K C16K C20K -168.7(9) . . . . ?
C11K Si1K C16K C20K 68.5(11) . . . . ?
C7K Si1K C16K C17K 64.1(11) . . . . ?
C2K Si1K C16K C17K -51.4(11) . . . . ?
C11K Si1K C16K C17K -174.2(10) . . . . ?
C20K C16K C17K C18K -15.8(15) . . . . ?
Si1K C16K C17K C18K -136.8(11) . . . . ?
C16K C17K C18K C19K 37.1(18) . . . . ?
C17K C18K C19K C20K -41.4(17) . . . . ?
C17K C16K C20K C19K -9.0(15) . . . . ?
Si1K C16K C20K C19K 114.3(12) . . . . ?
C18K C19K C20K C16K 31.6(16) . . . . ?
C25K N3K C21K C22K 1.0(15) . . . . ?
Co5B N3K C21K C22K 174.0(8) . . . . ?
N3K C21K C22K C23K 0.2(16) . . . . ?
N3K C21K C22K Si2K -178.7(8) . . . . ?
C21K C22K C23K C24K -0.9(16) . . . . ?
Si2K C22K C23K C24K 178.0(9) . . . . ?
C22K C23K C24K C25K 0.3(16) . . . . ?
C23K C24K C25K N3K 1.0(17) . . . . ?
C21K N3K C25K C24K -1.6(15) . . . . ?
Co5B N3K C25K C24K -174.8(9) . . . . ?
C30K N4K C26K C27K 1.4(17) . . . . ?
Co6B N4K C26K C27K 176.3(9) . . . . ?
N4K C26K C27K C28K 1.5(18) . . . . ?
N4K C26K C27K Si2K -176.5(9) . . . . ?
C31K Si2K C27K C28K 120.0(11) . . . . ?
C36K Si2K C27K C28K -4.4(13) . . . . ?
C22K Si2K C27K C28K -120.2(11) . . . . ?
C31K Si2K C27K C26K -62.2(11) . . . . ?
C36K Si2K C27K C26K 173.4(10) . . . . ?
C22K Si2K C27K C26K 57.7(10) . . . . ?
C26K C27K C28K C29K -0.6(18) . . . . ?
Si2K C27K C28K C29K 177.3(10) . . . . ?
C27K C28K C29K C30K -3.0(19) . . . . ?
C26K N4K C30K C29K -5.3(18) . . . . ?
Co6B N4K C30K C29K 179.6(10) . . . . ?
C28K C29K C30K N4K 6.1(19) . . . . ?
C36K Si2K C31K C32K -174.8(11) . . . . ?
C27K Si2K C31K C32K 63.3(13) . . . . ?
C22K Si2K C31K C32K -53.8(13) . . . . ?
C36K Si2K C31K C35K 59.1(13) . . . . ?
C27K Si2K C31K C35K -62.8(13) . . . . ?
C22K Si2K C31K C35K -179.9(11) . . . . ?
C35K C31K C32K C33K -34.0(15) . . . . ?
Si2K C31K C32K C33K -165.2(10) . . . . ?
C31K C32K C33K C34K 27.4(18) . . . . ?
C32K C33K C34K C35K -8(2) . . . . ?
C33K C34K C35K C31K -13(2) . . . . ?
C32K C31K C35K C34K 30.8(18) . . . . ?
Si2K C31K C35K C34K 165.3(12) . . . . ?
C31K Si2K C36K C40K 163.6(11) . . . . ?
C27K Si2K C36K C40K -72.2(12) . . . . ?
C22K Si2K C36K C40K 41.6(12) . . . . ?
C31K Si2K C36K C37K 48.0(12) . . . . ?
C27K Si2K C36K C37K 172.2(10) . . . . ?
C22K Si2K C36K C37K -73.9(11) . . . . ?
C40K C36K C37K C38K 24.7(17) . . . . ?
Si2K C36K C37K C38K 147.8(12) . . . . ?
C36K C37K C38K C39K -23.1(19) . . . . ?
C37K C38K C39K C40K 13(2) . . . . ?
C38K C39K C40K C36K 4(2) . . . . ?
C37K C36K C40K C39K -17.2(18) . . . . ?
Si2K C36K C40K C39K -136.5(13) . . . . ?
C5L N1L C1L C2L 0.7(15) . . . . ?
Co6B N1L C1L C2L -176.0(7) . . . . ?
N1L C1L C2L C3L -0.6(16) . . . . ?
N1L C1L C2L Si1L 179.9(8) . . . . ?
C11L Si1L C2L C3L 98.3(11) . . . . ?
C7L Si1L C2L C3L -141.3(10) . . . . ?
C16L Si1L C2L C3L -22.5(12) . . . . ?
C11L Si1L C2L C1L -82.2(10) . . . . ?
C7L Si1L C2L C1L 38.3(10) . . . . ?
C16L Si1L C2L C1L 157.0(9) . . . . ?
C1L C2L C3L C4L 0.3(16) . . . . ?
Si1L C2L C3L C4L 179.8(9) . . . . ?
C2L C3L C4L C5L -0.1(18) . . . . ?
C3L C4L C5L N1L 0.3(19) . . . . ?
C1L N1L C5L C4L -0.5(17) . . . . ?
Co6B N1L C5L C4L 176.2(9) . . . . ?
C10L N2L C6L C7L -4.0(15) . . . . ?
Co1B N2L C6L C7L 176.4(8) . . . . ?
N2L C6L C7L C8L 2.7(16) . . . . ?
N2L C6L C7L Si1L -172.9(8) . . . . ?
C11L Si1L C7L C6L -2.6(11) . . . . ?
C2L Si1L C7L C6L -124.7(9) . . . . ?
C16L Si1L C7L C6L 118.0(10) . . . . ?
C11L Si1L C7L C8L -177.9(9) . . . . ?
C2L Si1L C7L C8L 59.9(10) . . . . ?
C16L Si1L C7L C8L -57.3(10) . . . . ?
C6L C7L C8L C9L -0.9(15) . . . . ?
Si1L C7L C8L C9L 174.8(8) . . . . ?
C7L C8L C9L C10L 0.8(16) . . . . ?
C8L C9L C10L N2L -2.3(17) . . . . ?
C6L N2L C10L C9L 3.8(16) . . . . ?
Co1B N2L C10L C9L -176.6(9) . . . . ?
C2L Si1L C11L C12L 57.7(12) . . . . ?
C7L Si1L C11L C12L -60.0(12) . . . . ?
C16L Si1L C11L C12L 178.3(10) . . . . ?
C2L Si1L C11L C15L -64.3(12) . . . . ?
C7L Si1L C11L C15L 177.9(10) . . . . ?
C16L Si1L C11L C15L 56.2(13) . . . . ?
C15L C11L C12L C13L -3.6(17) . . . . ?
Si1L C11L C12L C13L -129.4(13) . . . . ?
C11L C12L C13L C14L -16.7(19) . . . . ?
C12L C13L C14L C15L 32.1(19) . . . . ?
C13L C14L C15L C11L -33.2(17) . . . . ?
C12L C11L C15L C14L 23.2(16) . . . . ?
Si1L C11L C15L C14L 152.0(12) . . . . ?
C20L C16L C17L C18L 9.3(15) . . . . ?
Si1L C16L C17L C18L -116.5(11) . . . . ?
C16L C17L C18L C19L -31.3(16) . . . . ?
C17L C18L C19L C20L 40.1(17) . . . . ?
C18L C19L C20L C16L -35.9(18) . . . . ?
C17L C16L C20L C19L 16.1(17) . . . . ?
Si1L C16L C20L C19L 142.9(12) . . . . ?
C25L N3L C21L C22L 3.0(13) . . . . ?
Co6B N3L C21L C22L -177.3(7) . . . . ?
N3L C21L C22L C23L -3.0(14) . . . . ?
N3L C21L C22L Si2L 178.3(7) . . . . ?
C27L Si2L C22L C23L 53.0(9) . . . . ?
C31L Si2L C22L C23L 170.1(9) . . . . ?
C36L Si2L C22L C23L -63.2(9) . . . . ?
C27L Si2L C22L C21L -128.4(8) . . . . ?
C31L Si2L C22L C21L -11.4(10) . . . . ?
C36L Si2L C22L C21L 115.4(9) . . . . ?
C21L C22L C23L C24L 1.1(15) . . . . ?
Si2L C22L C23L C24L 179.7(8) . . . . ?
C22L C23L C24L C25L 0.8(16) . . . . ?
C21L N3L C25L C24L -1.0(14) . . . . ?
Co6B N3L C25L C24L 179.3(8) . . . . ?
C23L C24L C25L N3L -0.9(16) . . . . ?
C30L N4L C26L C27L -0.7(15) . . . . ?
Co1B N4L C26L C27L -178.3(8) . . . . ?
N4L C26L C27L C28L 2.0(15) . . . . ?
N4L C26L C27L Si2L -178.3(8) . . . . ?
C31L Si2L C27L C28L 103.9(10) . . . . ?
C22L Si2L C27L C28L -137.2(9) . . . . ?
C36L Si2L C27L C28L -17.7(11) . . . . ?
C31L Si2L C27L C26L -75.8(10) . . . . ?
C22L Si2L C27L C26L 43.1(9) . . . . ?
C36L Si2L C27L C26L 162.6(9) . . . . ?
C26L C27L C28L C29L -0.9(15) . . . . ?
Si2L C27L C28L C29L 179.4(9) . . . . ?
C27L C28L C29L C30L -1.3(17) . . . . ?
C26L N4L C30L C29L -1.7(14) . . . . ?
Co1B N4L C30L C29L 175.9(8) . . . . ?
C28L C29L C30L N4L 2.7(16) . . . . ?
C27L Si2L C31L C35L 178.7(9) . . . . ?
C22L Si2L C31L C35L 63.2(11) . . . . ?
C36L Si2L C31L C35L -63.2(11) . . . . ?
C27L Si2L C31L C32L -59.4(11) . . . . ?
C22L Si2L C31L C32L -174.9(9) . . . . ?
C36L Si2L C31L C32L 58.7(11) . . . . ?
C35L C31L C32L C33L -23.6(16) . . . . ?
Si2L C31L C32L C33L -147.4(11) . . . . ?
C31L C32L C33L C34L 36.6(19) . . . . ?
C32L C33L C34L C35L -35(2) . . . . ?
C32L C31L C35L C34L 6.2(15) . . . . ?
Si2L C31L C35L C34L 128.1(10) . . . . ?
C33L C34L C35L C31L 16.4(18) . . . . ?
C40L C36L C37L C38L 25.7(16) . . . . ?
Si2L C36L C37L C38L 153.0(11) . . . . ?
C36L C37L C38L C39L -13.0(19) . . . . ?
C37L C38L C39L C40L -6(2) . . . . ?
C38L C39L C40L C36L 22(2) . . . . ?
C37L C36L C40L C39L -29.6(17) . . . . ?
Si2L C36L C40L C39L -155.2(12) . . . . ?
