#------------------------------------------------------------------------------
#$Date: 2023-03-04 19:45:12 +0200 (Sat, 04 Mar 2023) $
#$Revision: 281334 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/10/7131014.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_7131014
loop_
_publ_author_name
'Dabringhaus, Philipp'
'Zedlitz, Silja'
'Krossing, Ingo'
_publ_section_title
;
 Cationic dialanes with fluxional π-bridged cyclopentadienyl
 ligands.
;
_journal_issue                   2
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              187
_journal_page_last               190
_journal_paper_doi               10.1039/d2cc05786g
_journal_volume                  59
_journal_year                    2022
_chemical_formula_sum            'C63.99 H60 Al5 F54.97 O6 Si'
_chemical_formula_weight         2132.27
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method
;FinalCif V113 by Daniel Kratzert, Freiburg 2022,
https://dkratzert.de/finalcif.html
;
_audit_update_record
;
2022-10-03 deposited with the CCDC.	2022-11-21 downloaded from the CCDC.
;
_cell_angle_alpha                113.508(13)
_cell_angle_beta                 111.722(13)
_cell_angle_gamma                92.398(16)
_cell_formula_units_Z            8
_cell_length_a                   25.453(5)
_cell_length_b                   25.825(4)
_cell_length_c                   30.354(8)
_cell_measurement_reflns_used    9782
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.474
_cell_measurement_theta_min      2.222
_cell_volume                     16572(7)
_computing_cell_refinement       'SAINT V8.40B'
_computing_data_collection
'Bruker BIS V6.2.15 Patch 4/2021-03-15 && APEX4 2021.10-0'
_computing_data_reduction        'SAINT V8.40B'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0797
_diffrn_reflns_av_unetI/netI     0.0520
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            474817
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.574
_diffrn_reflns_theta_min         1.426
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    0.254
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6822
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction:
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48
(2015) 3-10
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.709
_exptl_crystal_description       plate
_exptl_crystal_F_000             8525
_exptl_crystal_recrystallization_method
'from concentrated 1,2-difluorobenzene solution at room temperature'
_exptl_crystal_size_max          0.323
_exptl_crystal_size_mid          0.287
_exptl_crystal_size_min          0.231
_refine_diff_density_max         1.616
_refine_diff_density_min         -1.030
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     8894
_refine_ls_number_reflns         76378
_refine_ls_number_restraints     412542
_refine_ls_restrained_S_all      1.408
_refine_ls_R_factor_all          0.1302
_refine_ls_R_factor_gt           0.0885
_refine_ls_shift/su_max          0.373
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1109P)²+63.4105P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2182
_refine_ls_wR_factor_ref         0.2504
_reflns_Friedel_coverage         0.000
_reflns_number_gt                51005
_reflns_number_total             76378
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc05786g2.cif
_cod_data_source_block           P-1_a_CCDC2
_cod_depositor_comments
'Adding full bibliography for 7131010--7131014.cif.'
_cod_original_cell_volume        16572(6)
_cod_database_code               7131014
_shelx_shelxl_version_number     2019/2
_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.
;
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Si2 Si 0.53188(4) 1.07951(5) 0.40986(4) 0.0201(2) Uani 1 1 d . . . . .
Si3 Si 0.67324(4) 0.71391(4) 0.16339(4) 0.0196(2) Uani 1 1 d . . . . .
Si4 Si 1.11389(4) 0.60485(4) 0.41258(4) 0.0181(2) Uani 1 1 d . . . . .
Al4 Al 0.51366(5) 0.98004(5) 0.34039(5) 0.0231(2) Uani 1 1 d . . . . .
Al5 Al 0.62014(5) 1.03632(5) 0.42757(5) 0.0218(2) Uani 1 1 d . . . . .
Al6 Al 0.58036(5) 1.08082(5) 0.35361(5) 0.0223(2) Uani 1 1 d . . . . .
Al7 Al 0.63921(5) 0.61815(5) 0.08528(5) 0.0252(3) Uani 1 1 d . . . . .
Al8 Al 0.72050(5) 0.71152(5) 0.10529(5) 0.0222(2) Uani 1 1 d . . . . .
Al9 Al 0.74979(5) 0.65525(5) 0.16853(5) 0.0237(2) Uani 1 1 d . . . . .
Al10 Al 1.01884(5) 0.58868(5) 0.33893(5) 0.0203(2) Uani 1 1 d . . . . .
Al11 Al 1.09290(5) 0.51365(5) 0.33134(5) 0.0197(2) Uani 1 1 d . . . . .
Al12 Al 1.04080(5) 0.52888(5) 0.40102(5) 0.0214(2) Uani 1 1 d . . . . .
Al13 Al 1.37107(5) 0.80383(5) 0.91972(5) 0.0236(2) Uani 1 1 d . . . . .
Al14 Al 1.25332(5) 0.82946(5) 0.82984(5) 0.0215(2) Uani 1 1 d . . . . .
Al15 Al 0.92283(5) 0.99924(5) 0.66689(5) 0.0225(2) Uani 1 1 d . . . . .
Al16 Al 0.96457(5) 0.88421(5) 0.58610(5) 0.0202(2) Uani 1 1 d . . . . .
Al17 Al 0.63597(5) 0.60582(6) 0.41287(5) 0.0245(3) Uani 1 1 d . . . . .
Al18 Al 0.51523(5) 0.48935(6) 0.33155(6) 0.0290(3) Uani 1 1 d . . . . .
Al19 Al 0.12763(5) 0.69354(5) 0.07572(4) 0.0187(2) Uani 1 1 d . . . . .
Al20 Al 0.24673(5) 0.66013(5) 0.15733(5) 0.0194(2) Uani 1 1 d . . . . .
F1 F 1.31201(10) 0.81726(10) 0.87542(9) 0.0253(5) Uani 1 1 d . . . . .
F2 F 0.94675(10) 0.94574(10) 0.62568(9) 0.0260(5) Uani 1 1 d . . . . .
F3 F 0.57249(10) 0.55052(10) 0.37677(10) 0.0281(5) Uani 1 1 d . . . . .
F4 F 0.18941(9) 0.67773(9) 0.11497(8) 0.0205(4) Uani 1 1 d . . . . .
C1_1 C 0.99349(19) 0.54185(18) 0.45199(17) 0.0315(9) Uani 1 1 d D U . A 1
C2_1 C 1.04704(18) 0.52907(19) 0.47706(17) 0.0321(9) Uani 1 1 d D U . A 1
C3_1 C 1.04837(18) 0.47297(18) 0.44269(17) 0.0299(9) Uani 1 1 d D U . A 1
C4_1 C 0.99519(18) 0.45044(18) 0.39618(18) 0.0307(9) Uani 1 1 d D U . A 1
C5_1 C 0.96117(17) 0.49375(19) 0.40228(18) 0.0304(9) Uani 1 1 d D U . A 1
C6_1 C 0.9001(2) 0.4849(3) 0.3638(2) 0.0468(13) Uani 1 1 d D U . A 1
H6A_1 H 0.896552 0.463852 0.327547 0.070 Uiso 1 1 calc R U . A 1
H6B_1 H 0.890319 0.522552 0.369193 0.070 Uiso 1 1 calc R U . A 1
H6C_1 H 0.873582 0.462361 0.369585 0.070 Uiso 1 1 calc R U . A 1
C7_1 C 0.9735(2) 0.3909(2) 0.3507(2) 0.0472(13) Uani 1 1 d D U . A 1
H7A_1 H 0.965186 0.393737 0.317665 0.071 Uiso 1 1 calc R U . A 1
H7B_1 H 0.937996 0.371840 0.348701 0.071 Uiso 1 1 calc R U . A 1
H7C_1 H 1.003135 0.368255 0.356136 0.071 Uiso 1 1 calc R U . A 1
C8_1 C 1.0974(2) 0.4427(3) 0.4544(3) 0.0472(13) Uani 1 1 d D U . A 1
H8A_1 H 1.085009 0.402221 0.427566 0.071 Uiso 1 1 calc R U . A 1
H8B_1 H 1.108066 0.444339 0.489511 0.071 Uiso 1 1 calc R U . A 1
H8C_1 H 1.130899 0.461982 0.453772 0.071 Uiso 1 1 calc R U . A 1
C9_1 C 1.0914(2) 0.5670(3) 0.53248(19) 0.0487(14) Uani 1 1 d D U . A 1
H9A_1 H 1.125152 0.549615 0.540292 0.073 Uiso 1 1 calc R U . A 1
H9B_1 H 1.074571 0.570757 0.557573 0.073 Uiso 1 1 calc R U . A 1
H9C_1 H 1.103590 0.605365 0.535768 0.073 Uiso 1 1 calc R U . A 1
C10_1 C 0.9767(3) 0.5977(2) 0.4767(2) 0.0510(14) Uani 1 1 d D U . A 1
H10A_1 H 0.982671 0.605727 0.512791 0.076 Uiso 1 1 calc R U . A 1
H10B_1 H 0.935763 0.594517 0.455570 0.076 Uiso 1 1 calc R U . A 1
H10C_1 H 1.000728 0.629233 0.477790 0.076 Uiso 1 1 calc R U . A 1
C1_2 C 0.92894(17) 0.57391(18) 0.27879(17) 0.0317(9) Uani 1 1 d D U . B 1
C2_2 C 0.93868(17) 0.62389(19) 0.32614(18) 0.0308(9) Uani 1 1 d D U . B 1
C3_2 C 0.98512(17) 0.66648(17) 0.33642(16) 0.0269(8) Uani 1 1 d D U . B 1
C4_2 C 1.00421(17) 0.64251(17) 0.29552(16) 0.0260(8) Uani 1 1 d D U . B 1
C5_2 C 0.96950(18) 0.58524(18) 0.25990(16) 0.0297(9) Uani 1 1 d D U . B 1
C6_2 C 0.9729(2) 0.5446(2) 0.20966(19) 0.0479(13) Uani 1 1 d D U . B 1
H6A_2 H 1.008928 0.558818 0.209174 0.072 Uiso 1 1 calc R U . B 1
H6B_2 H 0.939638 0.542689 0.179044 0.072 Uiso 1 1 calc R U . B 1
H6C_2 H 0.972443 0.505935 0.208031 0.072 Uiso 1 1 calc R U . B 1
C7_2 C 1.0516(2) 0.6714(2) 0.2890(2) 0.0380(11) Uani 1 1 d D U . B 1
H7A_2 H 1.079054 0.646416 0.284705 0.057 Uiso 1 1 calc R U . B 1
H7B_2 H 1.072028 0.708551 0.320394 0.057 Uiso 1 1 calc R U . B 1
H7C_2 H 1.034560 0.678175 0.257545 0.057 Uiso 1 1 calc R U . B 1
C8_2 C 1.0072(2) 0.72605(19) 0.3822(2) 0.0392(11) Uani 1 1 d D U . B 1
H8A_2 H 0.975223 0.746117 0.380970 0.059 Uiso 1 1 calc R U . B 1
H8B_2 H 1.037637 0.747952 0.379879 0.059 Uiso 1 1 calc R U . B 1
H8C_2 H 1.023104 0.722931 0.415548 0.059 Uiso 1 1 calc R U . B 1
C9_2 C 0.9039(2) 0.6347(2) 0.3583(2) 0.0448(12) Uani 1 1 d D U . B 1
H9A_2 H 0.930215 0.652702 0.396083 0.067 Uiso 1 1 calc R U . B 1
H9B_2 H 0.880162 0.597834 0.348918 0.067 Uiso 1 1 calc R U . B 1
H9C_2 H 0.878630 0.660566 0.350844 0.067 Uiso 1 1 calc R U . B 1
C10_2 C 0.8841(2) 0.5190(2) 0.2516(2) 0.0460(13) Uani 1 1 d D U . B 1
H10A_2 H 0.903138 0.486392 0.249367 0.069 Uiso 1 1 calc R U . B 1
H10B_2 H 0.858530 0.512964 0.215872 0.069 Uiso 1 1 calc R U . B 1
H10C_2 H 0.861100 0.521472 0.271879 0.069 Uiso 1 1 calc R U . B 1
C1_3 C 1.08235(18) 0.43386(18) 0.25889(17) 0.0317(9) Uani 1 1 d D U . C 1
C2_3 C 1.11344(19) 0.42668(17) 0.30504(18) 0.0335(9) Uani 1 1 d D U . C 1
C3_3 C 1.16635(17) 0.47031(18) 0.33662(17) 0.0300(9) Uani 1 1 d D U . C 1
C4_3 C 1.16754(16) 0.50428(17) 0.30985(16) 0.0260(8) Uani 1 1 d D U . C 1
C5_3 C 1.11582(17) 0.48160(18) 0.26170(16) 0.0286(8) Uani 1 1 d D U . C 1
C6_3 C 1.1051(2) 0.5010(3) 0.21944(19) 0.0436(12) Uani 1 1 d D U . C 1
H6A_3 H 1.111343 0.543362 0.235189 0.065 Uiso 1 1 calc R U . C 1
H6B_3 H 1.065060 0.483802 0.192510 0.065 Uiso 1 1 calc R U . C 1
H6C_3 H 1.131893 0.488726 0.202956 0.065 Uiso 1 1 calc R U . C 1
C7_3 C 1.21510(18) 0.5542(2) 0.32826(19) 0.0350(10) Uani 1 1 d D U . C 1
H7A_3 H 1.198431 0.586947 0.325634 0.052 Uiso 1 1 calc R U . C 1
H7B_3 H 1.236368 0.542832 0.306030 0.052 Uiso 1 1 calc R U . C 1
H7C_3 H 1.241681 0.565552 0.365199 0.052 Uiso 1 1 calc R U . C 1
C8_3 C 1.2117(2) 0.4794(3) 0.3888(2) 0.0448(12) Uani 1 1 d D U . C 1
H8A_3 H 1.197744 0.454218 0.401021 0.067 Uiso 1 1 calc R U . C 1
H8B_3 H 1.219902 0.519984 0.414630 0.067 Uiso 1 1 calc R U . C 1
H8C_3 H 1.247142 0.470163 0.384925 0.067 Uiso 1 1 calc R U . C 1
C9_3 C 1.0948(3) 0.3790(2) 0.3161(3) 0.0513(14) Uani 1 1 d D U . C 1
H9A_3 H 1.112974 0.391140 0.354403 0.077 Uiso 1 1 calc R U . C 1
H9B_3 H 1.106811 0.344123 0.297941 0.077 Uiso 1 1 calc R U . C 1
H9C_3 H 1.052530 0.370607 0.303349 0.077 Uiso 1 1 calc R U . C 1
C10_3 C 1.0251(2) 0.3965(2) 0.2149(2) 0.0478(13) Uani 1 1 d D U . C 1
H10A_3 H 0.996457 0.396634 0.229421 0.072 Uiso 1 1 calc R U . C 1
H10B_3 H 1.029449 0.356744 0.197930 0.072 Uiso 1 1 calc R U . C 1
H10C_3 H 1.011907 0.411580 0.188679 0.072 Uiso 1 1 calc R U . C 1
C1_4 C 0.55763(18) 0.58012(18) 0.00995(18) 0.0360(10) Uani 1 1 d D U . D 1
C2_4 C 0.54467(17) 0.57700(18) 0.05069(18) 0.0349(10) Uani 1 1 d D U . D 1
C3_4 C 0.57774(18) 0.54128(18) 0.06935(18) 0.0347(10) Uani 1 1 d D U . D 1
C4_4 C 0.61180(18) 0.52233(18) 0.04056(18) 0.0351(10) Uani 1 1 d D U . D 1
C5_4 C 0.59964(19) 0.54650(19) 0.00375(18) 0.0356(10) Uani 1 1 d D U . D 1
C6_4 C 0.6244(3) 0.5326(2) -0.0363(2) 0.0508(13) Uani 1 1 d D U . D 1
H6A_4 H 0.666799 0.544829 -0.018030 0.076 Uiso 1 1 calc R U . D 1
H6B_4 H 0.609458 0.553069 -0.057835 0.076 Uiso 1 1 calc R U . D 1
H6C_4 H 0.613175 0.490756 -0.059250 0.076 Uiso 1 1 calc R U . D 1
C7_4 C 0.6503(2) 0.4800(2) 0.0428(2) 0.0499(14) Uani 1 1 d D U . D 1
H7A_4 H 0.686793 0.494759 0.043456 0.075 Uiso 1 1 calc R U . D 1
H7B_4 H 0.630775 0.442622 0.011586 0.075 Uiso 1 1 calc R U . D 1
H7C_4 H 0.658372 0.475176 0.074963 0.075 Uiso 1 1 calc R U . D 1
C8_4 C 0.5739(2) 0.5263(3) 0.1111(2) 0.0506(14) Uani 1 1 d D U . D 1
H8A_4 H 0.533668 0.508167 0.100079 0.076 Uiso 1 1 calc R U . D 1
H8B_4 H 0.586795 0.561564 0.144598 0.076 Uiso 1 1 calc R U . D 1
H8C_4 H 0.598764 0.499203 0.116025 0.076 Uiso 1 1 calc R U . D 1
C9_4 C 0.4998(2) 0.6021(2) 0.0681(2) 0.0504(14) Uani 1 1 d D U . D 1
H9A_4 H 0.489006 0.631659 0.055982 0.076 Uiso 1 1 calc R U . D 1
H9B_4 H 0.515551 0.619781 0.106890 0.076 Uiso 1 1 calc R U . D 1
H9C_4 H 0.465410 0.571341 0.052927 0.076 Uiso 1 1 calc R U . D 1
C10_4 C 0.5302(2) 0.6120(2) -0.0213(2) 0.0516(14) Uani 1 1 d D U . D 1
H10A_4 H 0.487911 0.601615 -0.034501 0.077 Uiso 1 1 calc R U . D 1
H10B_4 H 0.540557 0.601374 -0.051324 0.077 Uiso 1 1 calc R U . D 1
H10C_4 H 0.544073 0.653791 0.001462 0.077 Uiso 1 1 calc R U . D 1
C1_5 C 0.70198(18) 0.76923(18) 0.06551(17) 0.0301(9) Uani 1 1 d D U . E 1
C2_5 C 0.75432(17) 0.79689(16) 0.11209(16) 0.0267(8) Uani 1 1 d D U . E 1
C3_5 C 0.79535(18) 0.76132(18) 0.10719(17) 0.0299(9) Uani 1 1 d D U . E 1
C4_5 C 0.7684(2) 0.71127(18) 0.05755(18) 0.0356(10) Uani 1 1 d D U . E 1
C5_5 C 0.7106(2) 0.7162(2) 0.03165(18) 0.0373(10) Uani 1 1 d D U . E 1
C6_5 C 0.6671(3) 0.6750(3) -0.0233(2) 0.0599(17) Uani 1 1 d D U . E 1
H6A_5 H 0.630276 0.664291 -0.022419 0.090 Uiso 1 1 calc R U . E 1
H6B_5 H 0.681663 0.640118 -0.036713 0.090 Uiso 1 1 calc R U . E 1
H6C_5 H 0.661054 0.693699 -0.046740 0.090 Uiso 1 1 calc R U . E 1
C7_5 C 0.7945(3) 0.6613(2) 0.0356(3) 0.0579(16) Uani 1 1 d D U . E 1
H7A_5 H 0.769504 0.625004 0.025806 0.087 Uiso 1 1 calc R U . E 1
H7B_5 H 0.833028 0.666097 0.062415 0.087 Uiso 1 1 calc R U . E 1
H7C_5 H 0.797855 0.660291 0.004102 0.087 Uiso 1 1 calc R U . E 1
C8_5 C 0.8574(2) 0.7785(2) 0.1468(2) 0.0446(12) Uani 1 1 d D U . E 1
H8A_5 H 0.859024 0.789684 0.182224 0.067 Uiso 1 1 calc R U . E 1
H8B_5 H 0.877820 0.811345 0.146523 0.067 Uiso 1 1 calc R U . E 1
H8C_5 H 0.875990 0.745754 0.137526 0.067 Uiso 1 1 calc R U . E 1
C9_5 C 0.7659(2) 0.85380(18) 0.1588(2) 0.0356(10) Uani 1 1 d D U . E 1
H9A_5 H 0.793999 0.853388 0.191023 0.053 Uiso 1 1 calc R U . E 1
H9B_5 H 0.729685 0.860150 0.162217 0.053 Uiso 1 1 calc R U . E 1
H9C_5 H 0.781749 0.885055 0.153546 0.053 Uiso 1 1 calc R U . E 1
C10_5 C 0.6475(2) 0.7915(2) 0.0541(2) 0.0459(13) Uani 1 1 d D U . E 1
H10A_5 H 0.620242 0.767851 0.017045 0.069 Uiso 1 1 calc R U . E 1
H10B_5 H 0.656779 0.831827 0.060589 0.069 Uiso 1 1 calc R U . E 1
H10C_5 H 0.629957 0.789446 0.077342 0.069 Uiso 1 1 calc R U . E 1
C1_6 C 0.83031(18) 0.68285(19) 0.24256(17) 0.0333(9) Uani 1 1 d D U . F 1
C2_6 C 0.78672(18) 0.64693(19) 0.24345(17) 0.0344(9) Uani 1 1 d D U . F 1
C3_6 C 0.77263(18) 0.59099(18) 0.20054(18) 0.0341(9) Uani 1 1 d D U . F 1
C4_6 C 0.80714(19) 0.59218(19) 0.17320(19) 0.0369(10) Uani 1 1 d D U . F 1
C5_6 C 0.84281(18) 0.6488(2) 0.19886(19) 0.0353(10) Uani 1 1 d D U . F 1
C6_6 C 0.8899(2) 0.6671(3) 0.1864(3) 0.0532(15) Uani 1 1 d D U . F 1
H6A_6 H 0.901063 0.709492 0.203106 0.080 Uiso 1 1 calc R U . F 1
H6B_6 H 0.875956 0.652076 0.147895 0.080 Uiso 1 1 calc R U . F 1
H6C_6 H 0.923674 0.651769 0.199935 0.080 Uiso 1 1 calc R U . F 1
C7_6 C 0.8084(3) 0.5430(3) 0.1264(2) 0.0593(16) Uani 1 1 d D U . F 1
H7A_6 H 0.783219 0.507521 0.118110 0.089 Uiso 1 1 calc R U . F 1
H7B_6 H 0.848161 0.537656 0.134471 0.089 Uiso 1 1 calc R U . F 1
H7C_6 H 0.794483 0.551533 0.095828 0.089 Uiso 1 1 calc R U . F 1
C8_6 C 0.7320(2) 0.5398(2) 0.1909(2) 0.0498(14) Uani 1 1 d D U . F 1
H8A_6 H 0.727912 0.506386 0.158526 0.075 Uiso 1 1 calc R U . F 1
H8B_6 H 0.694036 0.548975 0.186739 0.075 Uiso 1 1 calc R U . F 1
H8C_6 H 0.747677 0.530743 0.221007 0.075 Uiso 1 1 calc R U . F 1
C9_6 C 0.7602(3) 0.6627(3) 0.2822(2) 0.0519(14) Uani 1 1 d D U . F 1
H9A_6 H 0.780857 0.701348 0.311210 0.078 Uiso 1 1 calc R U . F 1
H9B_6 H 0.763110 0.634390 0.296426 0.078 Uiso 1 1 calc R U . F 1
H9C_6 H 0.719321 0.662719 0.264304 0.078 Uiso 1 1 calc R U . F 1
C10_6 C 0.8596(3) 0.7444(2) 0.2814(2) 0.0523(14) Uani 1 1 d D U . F 1
H10A_6 H 0.841894 0.758340 0.306505 0.078 Uiso 1 1 calc R U . F 1
H10B_6 H 0.855215 0.768247 0.262544 0.078 Uiso 1 1 calc R U . F 1
H10C_6 H 0.900916 0.747056 0.300794 0.078 Uiso 1 1 calc R U . F 1
C1_7 C 0.46205(18) 0.89750(17) 0.32696(16) 0.0289(9) Uani 1 1 d D U . G 1
C2_7 C 0.42337(17) 0.92510(17) 0.30134(16) 0.0296(9) Uani 1 1 d D U . G 1
C3_7 C 0.43907(17) 0.92859(18) 0.26202(16) 0.0306(9) Uani 1 1 d D U . G 1
C4_7 C 0.48819(18) 0.90371(18) 0.26345(16) 0.0296(9) Uani 1 1 d D U . G 1
C5_7 C 0.50224(18) 0.88414(17) 0.30344(16) 0.0285(8) Uani 1 1 d D U . G 1
C6_7 C 0.5464(2) 0.8487(2) 0.3130(2) 0.0389(11) Uani 1 1 d D U . G 1
H6A_7 H 0.581141 0.864278 0.311528 0.058 Uiso 1 1 calc R U . G 1
H6B_7 H 0.530254 0.808473 0.285760 0.058 Uiso 1 1 calc R U . G 1
H6C_7 H 0.556668 0.850229 0.348043 0.058 Uiso 1 1 calc R U . G 1
C7_7 C 0.5184(2) 0.8954(2) 0.2281(2) 0.0415(11) Uani 1 1 d D U . G 1
H7A_7 H 0.560149 0.910995 0.249670 0.062 Uiso 1 1 calc R U . G 1
H7B_7 H 0.503504 0.915779 0.206412 0.062 Uiso 1 1 calc R U . G 1
H7C_7 H 0.511253 0.854002 0.204905 0.062 Uiso 1 1 calc R U . G 1
C8_7 C 0.4072(2) 0.9522(2) 0.2242(2) 0.0426(11) Uani 1 1 d D U . G 1
H8A_7 H 0.404995 0.991933 0.244235 0.064 Uiso 1 1 calc R U . G 1
H8B_7 H 0.367969 0.928004 0.201052 0.064 Uiso 1 1 calc R U . G 1
H8C_7 H 0.427991 0.951933 0.202638 0.064 Uiso 1 1 calc R U . G 1
C9_7 C 0.3706(2) 0.9413(2) 0.3100(2) 0.0404(11) Uani 1 1 d D U . G 1
H9A_7 H 0.356644 0.967682 0.294599 0.061 Uiso 1 1 calc R U . G 1
H9B_7 H 0.380789 0.960531 0.348123 0.061 Uiso 1 1 calc R U . G 1
H9C_7 H 0.340064 0.906296 0.292998 0.061 Uiso 1 1 calc R U . G 1
C10_7 C 0.4579(2) 0.8823(2) 0.36849(19) 0.0374(10) Uani 1 1 d D U . G 1
H10A_7 H 0.489397 0.863419 0.379797 0.056 Uiso 1 1 calc R U . G 1
H10B_7 H 0.420492 0.855903 0.353850 0.056 Uiso 1 1 calc R U . G 1
H10C_7 H 0.461160 0.917653 0.399000 0.056 Uiso 1 1 calc R U . G 1
C1_8 C 0.65686(17) 1.03848(18) 0.50758(15) 0.0261(8) Uani 1 1 d D U . H 1
C2_8 C 0.69683(16) 1.07727(17) 0.50606(15) 0.0252(8) Uani 1 1 d D U . H 1
C3_8 C 0.71559(16) 1.04377(18) 0.46678(16) 0.0269(8) Uani 1 1 d D U . H 1
C4_8 C 0.68754(17) 0.98454(18) 0.44417(16) 0.0268(8) Uani 1 1 d D U . H 1
C5_8 C 0.65091(17) 0.98128(17) 0.46902(16) 0.0269(8) Uani 1 1 d D U . H 1
C6_8 C 0.6161(2) 0.9275(2) 0.4612(2) 0.0383(11) Uani 1 1 d D U . H 1
H6A_8 H 0.576499 0.932235 0.455870 0.057 Uiso 1 1 calc R U . H 1
H6B_8 H 0.634057 0.920879 0.492551 0.057 Uiso 1 1 calc R U . H 1
H6C_8 H 0.614842 0.894348 0.429992 0.057 Uiso 1 1 calc R U . H 1
C7_8 C 0.6973(2) 0.9351(2) 0.40241(19) 0.0384(11) Uani 1 1 d D U . H 1
H7A_8 H 0.738967 0.938853 0.412100 0.058 Uiso 1 1 calc R U . H 1
H7B_8 H 0.678140 0.935905 0.368189 0.058 Uiso 1 1 calc R U . H 1
H7C_8 H 0.681003 0.898337 0.399764 0.058 Uiso 1 1 calc R U . H 1
C8_8 C 0.76220(19) 1.0648(2) 0.4550(2) 0.0383(11) Uani 1 1 d D U . H 1
H8A_8 H 0.769312 1.107053 0.469237 0.058 Uiso 1 1 calc R U . H 1
H8B_8 H 0.749825 1.047412 0.416525 0.058 Uiso 1 1 calc R U . H 1
H8C_8 H 0.797933 1.053611 0.471407 0.058 Uiso 1 1 calc R U . H 1
C9_8 C 0.7181(2) 1.14093(19) 0.54168(18) 0.0364(10) Uani 1 1 d D U . H 1
H9A_8 H 0.728546 1.160313 0.523165 0.055 Uiso 1 1 calc R U . H 1
H9B_8 H 0.752303 1.147637 0.573755 0.055 Uiso 1 1 calc R U . H 1
H9C_8 H 0.687495 1.156521 0.551450 0.055 Uiso 1 1 calc R U . H 1
C10_8 C 0.6271(2) 1.0537(2) 0.54395(18) 0.0347(10) Uani 1 1 d D U . H 1
H10A_8 H 0.584975 1.042153 0.522930 0.052 Uiso 1 1 calc R U . H 1
H10B_8 H 0.638418 1.095556 0.566698 0.052 Uiso 1 1 calc R U . H 1
H10C_8 H 0.638413 1.033264 0.565996 0.052 Uiso 1 1 calc R U . H 1
C1_9 C 0.55463(18) 1.13226(18) 0.30770(16) 0.0306(9) Uani 1 1 d D U . I 1
C2_9 C 0.60018(18) 1.16866(17) 0.35821(16) 0.0294(9) Uani 1 1 d D U . I 1
C3_9 C 0.65007(17) 1.14407(17) 0.36265(16) 0.0271(8) Uani 1 1 d D U . I 1
C4_9 C 0.63535(18) 1.09271(18) 0.31505(16) 0.0283(8) Uani 1 1 d D U . I 1
C5_9 C 0.57610(18) 1.08535(18) 0.28075(15) 0.0276(8) Uani 1 1 d D U . I 1
C6_9 C 0.5443(2) 1.0401(2) 0.22453(17) 0.0370(10) Uani 1 1 d D U . I 1
H6A_9 H 0.561883 1.006382 0.219202 0.056 Uiso 1 1 calc R U . I 1
H6B_9 H 0.546554 1.055940 0.200657 0.056 Uiso 1 1 calc R U . I 1
H6C_9 H 0.503532 1.028438 0.216907 0.056 Uiso 1 1 calc R U . I 1
C7_9 C 0.6747(2) 1.0533(2) 0.3021(2) 0.0409(11) Uani 1 1 d D U . I 1
H7A_9 H 0.651436 1.014473 0.275278 0.061 Uiso 1 1 calc R U . I 1
H7B_9 H 0.700862 1.051196 0.334176 0.061 Uiso 1 1 calc R U . I 1
H7C_9 H 0.697611 1.068435 0.288251 0.061 Uiso 1 1 calc R U . I 1
C8_9 C 0.70807(19) 1.1715(2) 0.40909(18) 0.0391(11) Uani 1 1 d D U . I 1
H8A_9 H 0.704727 1.174083 0.441011 0.059 Uiso 1 1 calc R U . I 1
H8B_9 H 0.721459 1.210439 0.414160 0.059 Uiso 1 1 calc R U . I 1
H8C_9 H 0.735985 1.147901 0.402479 0.059 Uiso 1 1 calc R U . I 1
C9_9 C 0.5983(2) 1.22419(19) 0.39954(19) 0.0385(11) Uani 1 1 d D U . I 1
H9A_9 H 0.616738 1.224871 0.434463 0.058 Uiso 1 1 calc R U . I 1
H9B_9 H 0.557816 1.226980 0.391663 0.058 Uiso 1 1 calc R U . I 1
H9C_9 H 0.619012 1.257003 0.399513 0.058 Uiso 1 1 calc R U . I 1
C10_9 C 0.4951(2) 1.1429(2) 0.2858(2) 0.0455(12) Uani 1 1 d D U . I 1
H10A_9 H 0.482377 1.159628 0.314251 0.068 Uiso 1 1 calc R U . I 1
H10B_9 H 0.468022 1.106172 0.258147 0.068 Uiso 1 1 calc R U . I 1
H10C_9 H 0.495993 1.169825 0.270541 0.068 Uiso 1 1 calc R U . I 1
C5_14 C 0.44608(17) 1.13968(19) 0.39813(17) 0.0296(9) Uani 1 1 d D . . J 1
C6_14 C 0.4502(2) 1.0886(2) 0.4562(2) 0.0381(11) Uani 1 1 d D . . J 1
H6A_14 H 0.477893 1.082244 0.485050 0.057 Uiso 1 1 calc R U . J 1
H6B_14 H 0.428417 1.051160 0.425653 0.057 Uiso 1 1 calc R U . J 1
H6C_14 H 0.423219 1.109938 0.468022 0.057 Uiso 1 1 calc R U . J 1
C7_14 C 0.5633(2) 1.1875(2) 0.53718(18) 0.0393(11) Uani 1 1 d D . . J 1
H7A_14 H 0.541844 1.176007 0.553990 0.059 Uiso 1 1 calc R U . J 1
H7B_14 H 0.584226 1.228055 0.559568 0.059 Uiso 1 1 calc R U . J 1
H7C_14 H 0.591065 1.162905 0.532717 0.059 Uiso 1 1 calc R U . J 1
C8_14 C 0.5376(2) 1.2859(2) 0.4996(2) 0.0424(12) Uani 1 1 d D . . J 1
H8A_14 H 0.550474 1.299281 0.478544 0.064 Uiso 1 1 calc R U . J 1
H8B_14 H 0.570928 1.292669 0.532273 0.064 Uiso 1 1 calc R U . J 1
H8C_14 H 0.509082 1.307136 0.508545 0.064 Uiso 1 1 calc R U . J 1
C9_14 C 0.4387(3) 1.2317(3) 0.3856(3) 0.0545(15) Uani 1 1 d D . . J 1
H9A_14 H 0.469178 1.250058 0.380634 0.082 Uiso 1 1 calc R U . J 1
H9B_14 H 0.423250 1.261681 0.406004 0.082 Uiso 1 1 calc R U . J 1
H9C_14 H 0.407399 1.206033 0.350882 0.082 Uiso 1 1 calc R U . J 1
C10_14 C 0.3972(2) 1.0971(2) 0.3475(2) 0.0440(12) Uani 1 1 d D . . J 1
H10A_14 H 0.411962 1.065193 0.328448 0.066 Uiso 1 1 calc R U . J 1
H10B_14 H 0.379808 1.116416 0.325368 0.066 Uiso 1 1 calc R U . J 1
H10C_14 H 0.367755 1.081762 0.355402 0.066 Uiso 1 1 calc R U . J 1
C1_14 C 0.48303(17) 1.12374(17) 0.44011(16) 0.0251(8) Uani 1 1 d D . . J 1
C2_14 C 0.52162(17) 1.18060(18) 0.48395(16) 0.0264(8) Uani 1 1 d D . . J 1
C3_14 C 0.51032(18) 1.22246(18) 0.46827(18) 0.0305(9) Uani 1 1 d D . . J 1
C4_14 C 0.46356(19) 1.19710(19) 0.41495(19) 0.0333(10) Uani 1 1 d D . . J 1
C5_15 C 0.60468(17) 0.79171(18) 0.16942(18) 0.0291(9) Uani 1 1 d D . . K 1
C6_15 C 0.5976(2) 0.7281(2) 0.2159(2) 0.0429(12) Uani 1 1 d D . . K 1
H6A_15 H 0.622414 0.709889 0.236042 0.064 Uiso 1 1 calc R U . K 1
H6B_15 H 0.567382 0.697991 0.182790 0.064 Uiso 1 1 calc R U . K 1
H6C_15 H 0.579508 0.753479 0.236978 0.064 Uiso 1 1 calc R U . K 1
C7_15 C 0.7235(3) 0.8056(3) 0.2969(2) 0.0521(14) Uani 1 1 d D . . K 1
H7A_15 H 0.740637 0.772131 0.285719 0.078 Uiso 1 1 calc R U . K 1
H7B_15 H 0.701525 0.800203 0.315892 0.078 Uiso 1 1 calc R U . K 1
H7C_15 H 0.754362 0.840801 0.320337 0.078 Uiso 1 1 calc R U . K 1
C8_15 C 0.7286(2) 0.9155(2) 0.2745(2) 0.0440(12) Uani 1 1 d D . . K 1
H8A_15 H 0.737069 0.930262 0.252164 0.066 Uiso 1 1 calc R U . K 1
H8B_15 H 0.764324 0.909809 0.297540 0.066 Uiso 1 1 calc R U . K 1
H8C_15 H 0.712780 0.943420 0.296313 0.066 Uiso 1 1 calc R U . K 1
C9_15 C 0.6215(2) 0.8902(2) 0.1695(2) 0.0400(11) Uani 1 1 d D . . K 1
H9A_15 H 0.654169 0.902787 0.163661 0.060 Uiso 1 1 calc R U . K 1
H9B_15 H 0.614790 0.923695 0.195276 0.060 Uiso 1 1 calc R U . K 1
H9C_15 H 0.586650 0.872742 0.135988 0.060 Uiso 1 1 calc R U . K 1
C10_15 C 0.54925(19) 0.7614(2) 0.1201(2) 0.0397(11) Uani 1 1 d D . . K 1
H10A_15 H 0.554472 0.725198 0.096138 0.060 Uiso 1 1 calc R U . K 1
H10B_15 H 0.538948 0.786435 0.102416 0.060 Uiso 1 1 calc R U . K 1
H10C_15 H 0.518157 0.752846 0.129502 0.060 Uiso 1 1 calc R U . K 1
C1_15 C 0.63440(18) 0.76379(17) 0.20328(17) 0.0272(9) Uani 1 1 d D . . K 1
C2_15 C 0.6834(2) 0.81127(19) 0.24888(17) 0.0333(10) Uani 1 1 d D . . K 1
C3_15 C 0.6848(2) 0.85858(18) 0.23994(18) 0.0333(10) Uani 1 1 d D . . K 1
C4_15 C 0.63536(18) 0.84652(18) 0.19052(19) 0.0305(9) Uani 1 1 d D . . K 1
C5_16 C 1.19848(17) 0.69946(17) 0.45116(16) 0.0259(8) Uani 1 1 d D . . L 1
C6_16 C 1.15088(19) 0.7040(2) 0.51402(18) 0.0334(10) Uani 1 1 d D . . L 1
H6A_16 H 1.119216 0.718992 0.496267 0.050 Uiso 1 1 calc R U . L 1
H6B_16 H 1.181649 0.736452 0.544445 0.050 Uiso 1 1 calc R U . L 1
H6C_16 H 1.136167 0.679246 0.526270 0.050 Uiso 1 1 calc R U . L 1
C7_16 C 1.2201(2) 0.6046(2) 0.52284(19) 0.0353(10) Uani 1 1 d D . . L 1
H7A_16 H 1.217094 0.629490 0.555632 0.053 Uiso 1 1 calc R U . L 1
H7B_16 H 1.255690 0.590071 0.531462 0.053 Uiso 1 1 calc R U . L 1
H7C_16 H 1.186453 0.571949 0.500687 0.053 Uiso 1 1 calc R U . L 1
C8_16 C 1.31795(18) 0.6244(2) 0.4856(2) 0.0360(10) Uani 1 1 d D . . L 1
H8A_16 H 1.319290 0.603643 0.451208 0.054 Uiso 1 1 calc R U . L 1
H8B_16 H 1.317672 0.597853 0.501279 0.054 Uiso 1 1 calc R U . L 1
H8C_16 H 1.352117 0.656499 0.509237 0.054 Uiso 1 1 calc R U . L 1
C9_16 C 1.2877(2) 0.7056(2) 0.43183(19) 0.0343(10) Uani 1 1 d D . . L 1
H9A_16 H 1.296176 0.671942 0.407772 0.052 Uiso 1 1 calc R U . L 1
H9B_16 H 1.324057 0.730890 0.461672 0.052 Uiso 1 1 calc R U . L 1
H9C_16 H 1.267807 0.726994 0.412734 0.052 Uiso 1 1 calc R U . L 1
C10_16 C 1.1675(2) 0.7393(2) 0.4312(2) 0.0354(10) Uani 1 1 d D . . L 1
H10A_16 H 1.126108 0.721185 0.410259 0.053 Uiso 1 1 calc R U . L 1
H10B_16 H 1.183630 0.746781 0.409031 0.053 Uiso 1 1 calc R U . L 1
H10C_16 H 1.172688 0.775943 0.461392 0.053 Uiso 1 1 calc R U . L 1
C1_16 C 1.17518(16) 0.66878(17) 0.47524(16) 0.0246(8) Uani 1 1 d D . . L 1
C2_16 C 1.22200(16) 0.63892(18) 0.49342(16) 0.0261(8) Uani 1 1 d D . . L 1
C3_16 C 1.26382(16) 0.64800(18) 0.47808(16) 0.0257(8) Uani 1 1 d D . . L 1
C4_16 C 1.24961(17) 0.68556(18) 0.45219(16) 0.0268(8) Uani 1 1 d D . . L 1
O1_17 O 1.4323(6) 0.8357(9) 0.9209(8) 0.040(2) Uani 0.588(6) 1 d D U P M 1
C1_17 C 1.4782(4) 0.8314(4) 0.9083(4) 0.0441(16) Uani 0.588(6) 1 d D U P M 1
C2_17 C 1.4589(4) 0.8217(4) 0.8507(4) 0.0607(18) Uani 0.588(6) 1 d D U P M 1
F1_17 F 1.4532(4) 0.8701(4) 0.8471(4) 0.087(2) Uani 0.588(6) 1 d D U P M 1
F2_17 F 1.4955(5) 0.8033(6) 0.8299(5) 0.080(3) Uani 0.588(6) 1 d D U P M 1
F3_17 F 1.4086(4) 0.7806(5) 0.8195(4) 0.082(3) Uani 0.588(6) 1 d D U P M 1
C3_17 C 1.5024(3) 0.7782(4) 0.9137(4) 0.0562(17) Uani 0.588(6) 1 d D U P M 1
F4_17 F 1.5005(6) 0.7788(5) 0.9586(5) 0.078(3) Uani 0.588(6) 1 d D U P M 1
F5_17 F 1.4721(3) 0.7300(3) 0.8724(4) 0.0687(18) Uani 0.588(6) 1 d D U P M 1
F6_17 F 1.5549(3) 0.7811(4) 0.9158(5) 0.079(3) Uani 0.588(6) 1 d D U P M 1
C4_17 C 1.5257(4) 0.8875(4) 0.9488(4) 0.070(2) Uani 0.588(6) 1 d D U P M 1
F7_17 F 1.5515(4) 0.8865(4) 0.9947(4) 0.098(3) Uani 0.588(6) 1 d D U P M 1
F8_17 F 1.5672(4) 0.8942(6) 0.9343(4) 0.074(3) Uani 0.588(6) 1 d D U P M 1
F9_17 F 1.4981(5) 0.9329(5) 0.9524(5) 0.086(3) Uani 0.588(6) 1 d D U P M 1
O1_18 O 1.3594(2) 0.73049(18) 0.8929(2) 0.0366(10) Uani 0.837(4) 1 d D U P M 1
C1_18 C 1.3457(3) 0.6806(2) 0.8954(3) 0.0469(11) Uani 0.837(4) 1 d D U P M 1
C2_18 C 1.3691(3) 0.6337(3) 0.8614(3) 0.0618(14) Uani 0.837(4) 1 d D U P M 1
F1_18 F 1.4283(2) 0.6449(2) 0.8908(3) 0.0756(14) Uani 0.837(4) 1 d D U P M 1
F2_18 F 1.3452(3) 0.58003(19) 0.8483(3) 0.0813(18) Uani 0.837(4) 1 d D U P M 1
F3_18 F 1.3592(2) 0.63657(17) 0.8162(2) 0.0682(12) Uani 0.837(4) 1 d D U P M 1
C3_18 C 1.2804(3) 0.6610(3) 0.8759(4) 0.0683(15) Uani 0.837(4) 1 d D U P M 1
F4_18 F 1.2562(2) 0.7043(3) 0.8911(3) 0.0885(17) Uani 0.837(4) 1 d D U P M 1
F5_18 F 1.2557(2) 0.6366(3) 0.8218(3) 0.0959(16) Uani 0.837(4) 1 d D U P M 1
F6_18 F 1.2667(3) 0.6206(3) 0.8888(3) 0.0827(17) Uani 0.837(4) 1 d D U P M 1
C4_18 C 1.3750(4) 0.6888(3) 0.9537(3) 0.0732(16) Uani 0.837(4) 1 d D U P M 1
F7_18 F 1.3436(3) 0.7157(2) 0.9801(3) 0.1005(18) Uani 0.837(4) 1 d D U P M 1
F8_18 F 1.3793(3) 0.6388(2) 0.9554(2) 0.0933(17) Uani 0.837(4) 1 d D U P M 1
F9_18 F 1.4277(2) 0.7216(2) 0.9783(2) 0.0841(15) Uani 0.837(4) 1 d D U P M 1
O1_19 O 1.3695(9) 0.8347(7) 0.9797(5) 0.041(3) Uani 0.550(5) 1 d D U P M 1
C1_19 C 1.3851(4) 0.8799(4) 1.0278(4) 0.0461(16) Uani 0.550(5) 1 d D U P M 1
C2_19 C 1.4511(4) 0.8923(5) 1.0630(4) 0.070(2) Uani 0.550(5) 1 d D U P M 1
F1_19 F 1.4824(3) 0.9182(3) 1.0499(3) 0.0708(19) Uani 0.550(5) 1 d D U P M 1
F2_19 F 1.4590(6) 0.9267(5) 1.1138(4) 0.098(3) Uani 0.550(5) 1 d D U P M 1
F3_19 F 1.4679(5) 0.8425(5) 1.0582(4) 0.095(3) Uani 0.550(5) 1 d D U P M 1
C3_19 C 1.3476(5) 0.8660(4) 1.0534(4) 0.061(2) Uani 0.550(5) 1 d D U P M 1
F4_19 F 1.2920(3) 0.8413(4) 1.0180(3) 0.0665(19) Uani 0.550(5) 1 d D U P M 1
F5_19 F 1.3700(4) 0.8295(3) 1.0729(3) 0.082(2) Uani 0.550(5) 1 d D U P M 1
F6_19 F 1.3498(6) 0.9135(4) 1.0952(4) 0.076(3) Uani 0.550(5) 1 d D U P M 1
C4_19 C 1.3743(4) 0.9367(4) 1.0229(4) 0.0494(17) Uani 0.550(5) 1 d D U P M 1
F7_19 F 1.3174(3) 0.9362(3) 1.0069(3) 0.0716(19) Uani 0.550(5) 1 d D U P M 1
F8_19 F 1.4004(5) 0.9841(4) 1.0664(3) 0.064(2) Uani 0.550(5) 1 d D U P M 1
F9_19 F 1.3905(3) 0.9407(3) 0.9869(3) 0.0572(17) Uani 0.550(5) 1 d D U P M 1
O1_20 O 1.19302(14) 0.79743(14) 0.82885(15) 0.0400(8) Uani 1 1 d D U . N 1
C1_20 C 1.14722(17) 0.80303(19) 0.84179(18) 0.0346(9) Uani 1 1 d D U . N 1
C2_20 C 1.1058(2) 0.7425(2) 0.8111(3) 0.0635(16) Uani 1 1 d D U . N 1
F1_20 F 1.07528(18) 0.7307(2) 0.76052(18) 0.0966(15) Uani 1 1 d D U . N 1
F2_20 F 1.06722(17) 0.73901(16) 0.83052(19) 0.0842(14) Uani 1 1 d D U . N 1
F3_20 F 1.13453(18) 0.70160(15) 0.8123(2) 0.0911(15) Uani 1 1 d D U . N 1
C3_20 C 1.1681(2) 0.8235(2) 0.9018(2) 0.0488(12) Uani 1 1 d D U . N 1
F4_20 F 1.21422(16) 0.86656(17) 0.92798(13) 0.0676(10) Uani 1 1 d D U . N 1
F5_20 F 1.1825(2) 0.7812(2) 0.91505(19) 0.0861(13) Uani 1 1 d D U . N 1
F6_20 F 1.12756(18) 0.84235(17) 0.91844(15) 0.0691(10) Uani 1 1 d D U . N 1
C4_20 C 1.1150(2) 0.8468(2) 0.8259(2) 0.0446(12) Uani 1 1 d D U . N 1
F7_20 F 1.14254(14) 0.90111(13) 0.86123(13) 0.0496(7) Uani 1 1 d D U . N 1
F8_20 F 1.06142(14) 0.84001(18) 0.82254(18) 0.0744(11) Uani 1 1 d D U . N 1
F9_20 F 1.11262(18) 0.8409(2) 0.77977(14) 0.0737(11) Uani 1 1 d D U . N 1
O1_21 O 1.2606(8) 0.9026(6) 0.8561(8) 0.026(2) Uani 0.544(6) 1 d D U P N 1
C1_21 C 1.2786(4) 0.9521(4) 0.8546(3) 0.0306(14) Uani 0.544(6) 1 d D U P N 1
C2_21 C 1.3415(4) 0.9586(4) 0.8605(4) 0.0378(16) Uani 0.544(6) 1 d D U P N 1
F1_21 F 1.3778(3) 0.9751(3) 0.9110(3) 0.0572(17) Uani 0.544(6) 1 d D U P N 1
F2_21 F 1.3567(4) 0.9966(3) 0.8458(3) 0.0498(17) Uani 0.544(6) 1 d D U P N 1
F3_21 F 1.3496(3) 0.9067(2) 0.8321(3) 0.0431(17) Uani 0.544(6) 1 d D U P N 1
C3_21 C 1.2379(4) 0.9515(4) 0.8014(4) 0.0348(15) Uani 0.544(6) 1 d D U P N 1
F4_21 F 1.1831(2) 0.9313(3) 0.7881(2) 0.0461(14) Uani 0.544(6) 1 d D U P N 1
F5_21 F 1.2516(3) 0.9174(3) 0.7622(2) 0.0426(15) Uani 0.544(6) 1 d D U P N 1
F6_21 F 1.2426(4) 1.0037(3) 0.8030(3) 0.0501(17) Uani 0.544(6) 1 d D U P N 1
C4_21 C 1.2738(4) 1.0045(4) 0.9002(4) 0.0420(16) Uani 0.544(6) 1 d D U P N 1
F7_21 F 1.2189(3) 1.0081(2) 0.8893(3) 0.0478(14) Uani 0.544(6) 1 d D U P N 1
F8_21 F 1.3040(4) 1.0548(4) 0.9100(5) 0.052(2) Uani 0.544(6) 1 d D U P N 1
F9_21 F 1.2937(4) 0.9984(3) 0.9450(2) 0.0560(17) Uani 0.544(6) 1 d D U P N 1
O1_22 O 1.26036(15) 0.79690(15) 0.77209(12) 0.0383(7) Uani 1 1 d D U . O 1
C1_22 C 1.2412(2) 0.7567(2) 0.72140(17) 0.0395(10) Uani 1 1 d D U . O 1
C2_22 C 1.2762(2) 0.7737(2) 0.6955(2) 0.0502(13) Uani 1 1 d D U . O 1
F1_22 F 1.25614(19) 0.81557(18) 0.68262(16) 0.0705(10) Uani 1 1 d D U . O 1
F2_22 F 1.27190(18) 0.73065(17) 0.65080(14) 0.0696(11) Uani 1 1 d D U . O 1
F3_22 F 1.33166(15) 0.79478(19) 0.72725(14) 0.0690(11) Uani 1 1 d D U . O 1
C3_22 C 1.2522(4) 0.6985(3) 0.7220(3) 0.082(2) Uani 1 1 d D U . O 1
F4_22 F 1.2368(3) 0.6902(2) 0.7562(3) 0.125(2) Uani 1 1 d D U . O 1
F5_22 F 1.3092(3) 0.6985(2) 0.7366(3) 0.1208(19) Uani 1 1 d D U . O 1
F6_22 F 1.2245(3) 0.65373(18) 0.6757(2) 0.121(2) Uani 1 1 d D U . O 1
C4_22 C 1.1763(2) 0.7505(3) 0.6900(2) 0.0595(15) Uani 1 1 d D U . O 1
F7_22 F 1.14420(18) 0.7212(2) 0.70204(16) 0.0893(15) Uani 1 1 d D U . O 1
F8_22 F 1.16011(19) 0.7210(3) 0.63799(14) 0.1069(19) Uani 1 1 d D U . O 1
F9_22 F 1.16306(16) 0.8021(2) 0.70215(16) 0.0737(11) Uani 1 1 d D U . O 1
O1_23 O 0.8517(2) 0.9684(3) 0.6398(2) 0.0460(15) Uani 0.841(4) 1 d D U P P 1
C1_23 C 0.8007(2) 0.9654(3) 0.6440(2) 0.0362(10) Uani 0.841(4) 1 d D U P P 1
C2_23 C 0.7555(2) 0.9786(3) 0.6021(2) 0.0442(12) Uani 0.841(4) 1 d D U P P 1
F1_23 F 0.7649(2) 1.0354(2) 0.6165(2) 0.0728(13) Uani 0.841(4) 1 d D U P P 1
F2_23 F 0.7014(2) 0.9610(4) 0.5946(3) 0.0581(14) Uani 0.841(4) 1 d D U P P 1
F3_23 F 0.75848(17) 0.9529(2) 0.55562(15) 0.0552(11) Uani 0.841(4) 1 d D U P P 1
C3_23 C 0.7789(3) 0.9034(3) 0.6339(3) 0.0577(14) Uani 0.841(4) 1 d D U P P 1
F4_23 F 0.8211(3) 0.8859(3) 0.6619(3) 0.0946(17) Uani 0.841(4) 1 d D U P P 1
F5_23 F 0.7601(2) 0.8663(2) 0.58342(18) 0.0715(13) Uani 0.841(4) 1 d D U P P 1
F6_23 F 0.7361(2) 0.9008(3) 0.6493(2) 0.0767(15) Uani 0.841(4) 1 d D U P P 1
C4_23 C 0.8075(3) 1.0088(3) 0.6998(2) 0.0604(15) Uani 0.841(4) 1 d D U P P 1
F7_23 F 0.8329(2) 0.9896(3) 0.73528(16) 0.0798(15) Uani 0.841(4) 1 d D U P P 1
F8_23 F 0.7581(2) 1.0193(3) 0.7022(2) 0.0751(17) Uani 0.841(4) 1 d D U P P 1
F9_23 F 0.8420(2) 1.0587(2) 0.7155(2) 0.0853(15) Uani 0.841(4) 1 d D U P P 1
O1_24 O 0.9583(2) 0.9968(3) 0.72741(18) 0.0327(11) Uani 0.701(5) 1 d D U P P 1
C1_24 C 1.0026(3) 1.0168(3) 0.7755(3) 0.0341(12) Uani 0.701(5) 1 d D U P P 1
C2_24 C 1.0609(3) 1.0325(3) 0.7742(3) 0.0487(15) Uani 0.701(5) 1 d D U P P 1
F1_24 F 1.0664(2) 1.0841(3) 0.7735(2) 0.0634(15) Uani 0.701(5) 1 d D U P P 1
F2_24 F 1.1073(3) 1.0395(4) 0.8163(3) 0.070(2) Uani 0.701(5) 1 d D U P P 1
F3_24 F 1.0649(3) 0.9948(3) 0.7316(3) 0.0762(19) Uani 0.701(5) 1 d D U P P 1
C3_24 C 1.0057(4) 0.9689(4) 0.7947(3) 0.0629(17) Uani 0.701(5) 1 d D U P P 1
F4_24 F 0.9546(3) 0.9408(3) 0.7817(2) 0.0656(15) Uani 0.701(5) 1 d D U P P 1
F5_24 F 1.0329(3) 0.9301(3) 0.7734(3) 0.095(2) Uani 0.701(5) 1 d D U P P 1
F6_24 F 1.0356(3) 0.9911(3) 0.8475(2) 0.092(2) Uani 0.701(5) 1 d D U P P 1
C4_24 C 0.9917(3) 1.0695(3) 0.8159(3) 0.0432(14) Uani 0.701(5) 1 d D U P P 1
F7_24 F 0.9505(2) 1.0519(3) 0.8280(2) 0.0541(14) Uani 0.701(5) 1 d D U P P 1
F8_24 F 1.0387(2) 1.1006(3) 0.85994(19) 0.0708(16) Uani 0.701(5) 1 d D U P P 1
F9_24 F 0.9725(2) 1.1051(2) 0.7945(2) 0.0618(14) Uani 0.701(5) 1 d D U P P 1
O1_25 O 0.9474(9) 1.0610(6) 0.6677(7) 0.0449(15) Uani 0.446(3) 1 d D U P P 1
C1_25 C 0.9471(4) 1.1061(5) 0.6560(4) 0.0581(11) Uani 0.446(3) 1 d D U P P 1
C2_25 C 0.8888(5) 1.1115(5) 0.6196(5) 0.0661(13) Uani 0.446(3) 1 d D U P P 1
F1_25 F 0.8480(4) 1.1163(4) 0.6360(4) 0.0695(18) Uani 0.446(3) 1 d D U P P 1
F2_25 F 0.8976(4) 1.1456(5) 0.5972(4) 0.0749(18) Uani 0.446(3) 1 d D U P P 1
F3_25 F 0.8638(4) 1.0576(4) 0.5786(4) 0.0737(18) Uani 0.446(3) 1 d D U P P 1
C3_25 C 0.9936(5) 1.1046(5) 0.6345(5) 0.0669(13) Uani 0.446(3) 1 d D U P P 1
F4_25 F 1.0436(4) 1.0975(5) 0.6663(5) 0.081(2) Uani 0.446(3) 1 d D U P P 1
F5_25 F 0.9728(4) 1.0668(4) 0.5842(3) 0.0761(19) Uani 0.446(3) 1 d D U P P 1
F6_25 F 1.0114(5) 1.1554(4) 0.6364(4) 0.0694(19) Uani 0.446(3) 1 d D U P P 1
C4_25 C 0.9675(5) 1.1612(5) 0.7095(4) 0.0711(14) Uani 0.446(3) 1 d D U P P 1
F7_25 F 1.0179(4) 1.1655(5) 0.7435(4) 0.087(2) Uani 0.446(3) 1 d D U P P 1
F8_25 F 0.9669(5) 1.2089(4) 0.7027(4) 0.082(2) Uani 0.446(3) 1 d D U P P 1
F9_25 F 0.9324(5) 1.1540(5) 0.7318(4) 0.080(2) Uani 0.446(3) 1 d D U P P 1
O1_26 O 1.0374(7) 0.8972(10) 0.6061(8) 0.025(3) Uani 0.420(6) 1 d D U P P 1
C1_26 C 1.0825(5) 0.9085(4) 0.5947(4) 0.0340(16) Uani 0.420(6) 1 d D U P P 1
C2_26 C 1.0926(4) 0.9708(4) 0.6017(5) 0.0498(19) Uani 0.420(6) 1 d D U P P 1
F1_26 F 1.1171(4) 1.0075(4) 0.6554(4) 0.065(2) Uani 0.420(6) 1 d D U P P 1
F2_26 F 1.1340(5) 0.9880(5) 0.5918(5) 0.066(3) Uani 0.420(6) 1 d D U P P 1
F3_26 F 1.0498(5) 0.9940(5) 0.5925(6) 0.075(3) Uani 0.420(6) 1 d D U P P 1
C3_26 C 1.0719(5) 0.8642(5) 0.5381(4) 0.0435(18) Uani 0.420(6) 1 d D U P P 1
F4_26 F 1.0470(6) 0.8103(5) 0.5282(5) 0.059(3) Uani 0.420(6) 1 d D U P P 1
F5_26 F 1.0350(4) 0.8765(5) 0.5005(4) 0.058(2) Uani 0.420(6) 1 d D U P P 1
F6_26 F 1.1199(4) 0.8568(6) 0.5311(5) 0.053(3) Uani 0.420(6) 1 d D U P P 1
C4_26 C 1.1368(4) 0.9003(5) 0.6342(4) 0.0500(19) Uani 0.420(6) 1 d D U P P 1
F7_26 F 1.1367(4) 0.8445(4) 0.6192(4) 0.054(2) Uani 0.420(6) 1 d D U P P 1
F8_26 F 1.1853(4) 0.9239(5) 0.6354(5) 0.063(2) Uani 0.420(6) 1 d D U P P 1
F9_26 F 1.1407(6) 0.9301(6) 0.6839(4) 0.060(3) Uani 0.420(6) 1 d D U P P 1
O1_30 O 0.67838(14) 0.57782(19) 0.38099(14) 0.0492(10) Uani 1 1 d D U . Q 1
C1_30 C 0.72986(18) 0.5631(2) 0.38494(19) 0.0391(10) Uani 1 1 d D U . Q 1
C2_30 C 0.7776(2) 0.6185(2) 0.4142(2) 0.0503(13) Uani 1 1 d D U . Q 1
F1_30 F 0.77535(19) 0.64429(16) 0.38347(17) 0.0716(11) Uani 1 1 d D U . Q 1
F2_30 F 0.83082(13) 0.60780(17) 0.43064(15) 0.0689(11) Uani 1 1 d D U . Q 1
F3_30 F 0.77209(16) 0.65721(16) 0.45607(15) 0.0650(10) Uani 1 1 d D U . Q 1
C3_30 C 0.7455(2) 0.5270(3) 0.4165(3) 0.0602(15) Uani 1 1 d D U . Q 1
F4_30 F 0.6979(2) 0.4919(2) 0.4045(2) 0.0949(15) Uani 1 1 d D U . Q 1
F5_30 F 0.76888(14) 0.56039(18) 0.46852(15) 0.0644(10) Uani 1 1 d D U . Q 1
F6_30 F 0.7833(2) 0.4961(2) 0.40529(19) 0.0900(14) Uani 1 1 d D U . Q 1
C4_30 C 0.7248(2) 0.5280(2) 0.3280(2) 0.0498(12) Uani 1 1 d D U . Q 1
F7_30 F 0.69589(18) 0.47435(17) 0.30784(16) 0.0749(11) Uani 1 1 d D U . Q 1
F8_30 F 0.77677(15) 0.52574(18) 0.32677(15) 0.0702(11) Uani 1 1 d D U . Q 1
F9_30 F 0.69738(15) 0.55066(18) 0.29675(14) 0.0617(9) Uani 1 1 d D U . Q 1
O1_31 O 0.6094(3) 0.6633(2) 0.4060(3) 0.0440(13) Uani 0.821(4) 1 d D U P Q 1
C1_31 C 0.6128(2) 0.7137(2) 0.4027(2) 0.0336(10) Uani 0.821(4) 1 d D U P Q 1
C2_31 C 0.6337(3) 0.7118(3) 0.3605(3) 0.0583(15) Uani 0.821(4) 1 d D U P Q 1
F1_31 F 0.6908(2) 0.7157(2) 0.3787(2) 0.0649(12) Uani 0.821(4) 1 d D U P Q 1
F2_31 F 0.6224(3) 0.7562(3) 0.3475(2) 0.0823(15) Uani 0.821(4) 1 d D U P Q 1
F3_31 F 0.6088(3) 0.6623(3) 0.3175(2) 0.0940(17) Uani 0.821(4) 1 d D U P Q 1
C3_31 C 0.5516(3) 0.7269(3) 0.3890(3) 0.0537(14) Uani 0.821(4) 1 d D U P Q 1
F4_31 F 0.5269(2) 0.7161(2) 0.4170(2) 0.0667(13) Uani 0.821(4) 1 d D U P Q 1
F5_31 F 0.5185(2) 0.6959(3) 0.3380(2) 0.0903(17) Uani 0.821(4) 1 d D U P Q 1
F6_31 F 0.5519(2) 0.7818(2) 0.3989(3) 0.0678(16) Uani 0.821(4) 1 d D U P Q 1
C4_31 C 0.6543(3) 0.7636(3) 0.4560(3) 0.0601(15) Uani 0.821(4) 1 d D U P Q 1
F7_31 F 0.6288(3) 0.7817(2) 0.4891(2) 0.0900(17) Uani 0.821(4) 1 d D U P Q 1
F8_31 F 0.6723(2) 0.80963(19) 0.4510(2) 0.0729(14) Uani 0.821(4) 1 d D U P Q 1
F9_31 F 0.7019(2) 0.7473(2) 0.4776(2) 0.0784(16) Uani 0.821(4) 1 d D U P Q 1
O1_32 O 0.4680(2) 0.4967(3) 0.3620(3) 0.0383(15) Uani 0.764(4) 1 d D U P R 1
C1_32 C 0.4192(2) 0.5112(2) 0.3664(2) 0.0395(11) Uani 0.764(4) 1 d D U P R 1
C2_32 C 0.4088(3) 0.5652(3) 0.3567(3) 0.0413(12) Uani 0.764(4) 1 d D U P R 1
F1_32 F 0.3882(2) 0.5532(2) 0.3072(2) 0.0701(14) Uani 0.764(4) 1 d D U P R 1
F2_32 F 0.3718(3) 0.5913(3) 0.3763(2) 0.0491(14) Uani 0.764(4) 1 d D U P R 1
F3_32 F 0.4574(3) 0.6038(3) 0.3800(3) 0.0466(14) Uani 0.764(4) 1 d D U P R 1
C3_32 C 0.4253(3) 0.5233(3) 0.4226(3) 0.0539(14) Uani 0.764(4) 1 d D U P R 1
F4_32 F 0.4484(2) 0.4851(2) 0.4373(2) 0.0645(13) Uani 0.764(4) 1 d D U P R 1
F5_32 F 0.4561(2) 0.57569(19) 0.4584(2) 0.0615(13) Uani 0.764(4) 1 d D U P R 1
F6_32 F 0.3732(2) 0.5213(2) 0.4254(2) 0.0736(15) Uani 0.764(4) 1 d D U P R 1
C4_32 C 0.3661(3) 0.4601(3) 0.3257(3) 0.0591(15) Uani 0.764(4) 1 d D U P R 1
F7_32 F 0.3675(2) 0.4162(2) 0.3406(3) 0.0729(15) Uani 0.764(4) 1 d D U P R 1
F8_32 F 0.31669(18) 0.4751(2) 0.3226(3) 0.0852(19) Uani 0.764(4) 1 d D U P R 1
F9_32 F 0.3675(2) 0.4367(2) 0.2799(2) 0.0751(15) Uani 0.764(4) 1 d D U P R 1
O1_33 O 0.5471(7) 0.4322(4) 0.3296(6) 0.040(2) Uani 0.670(6) 1 d D U P R 1
C1_33 C 0.5455(3) 0.3818(3) 0.3335(3) 0.0466(14) Uani 0.670(6) 1 d D U P R 1
C2_33 C 0.5492(4) 0.3899(4) 0.3880(4) 0.0684(18) Uani 0.670(6) 1 d D U P R 1
F1_33 F 0.4944(4) 0.3911(3) 0.3867(3) 0.0827(18) Uani 0.670(6) 1 d D U P R 1
F2_33 F 0.5627(3) 0.3473(2) 0.3997(2) 0.0738(18) Uani 0.670(6) 1 d D U P R 1
F3_33 F 0.5823(4) 0.4384(3) 0.4260(3) 0.116(3) Uani 0.670(6) 1 d D U P R 1
C3_33 C 0.5956(4) 0.3552(4) 0.3224(4) 0.067(2) Uani 0.670(6) 1 d D U P R 1
F4_33 F 0.6080(4) 0.3681(4) 0.2898(4) 0.092(2) Uani 0.670(6) 1 d D U P R 1
F5_33 F 0.6447(3) 0.3826(3) 0.3685(4) 0.114(3) Uani 0.670(6) 1 d D U P R 1
F6_33 F 0.5894(4) 0.2998(3) 0.3080(3) 0.064(2) Uani 0.670(6) 1 d D U P R 1
C4_33 C 0.4894(3) 0.3376(3) 0.2900(3) 0.0521(15) Uani 0.670(6) 1 d D U P R 1
F7_33 F 0.4923(4) 0.3182(3) 0.2421(3) 0.0811(18) Uani 0.670(6) 1 d D U P R 1
F8_33 F 0.4817(2) 0.29141(19) 0.2982(2) 0.0519(13) Uani 0.670(6) 1 d D U P R 1
F9_33 F 0.4445(2) 0.3603(2) 0.2835(3) 0.0611(15) Uani 0.670(6) 1 d D U P R 1
O1_35 O 0.1358(3) 0.7665(2) 0.1041(3) 0.0239(11) Uani 0.770(8) 1 d D U P S 1
C1_35 C 0.1493(2) 0.8176(2) 0.1029(2) 0.0280(10) Uani 0.770(8) 1 d D U P S 1
C2_35 C 0.0967(3) 0.8245(3) 0.0616(3) 0.0404(13) Uani 0.770(8) 1 d D U P S 1
F1_35 F 0.0551(3) 0.8378(3) 0.0797(2) 0.0483(13) Uani 0.770(8) 1 d D U P S 1
F2_35 F 0.1109(3) 0.8661(3) 0.0492(3) 0.0541(15) Uani 0.770(8) 1 d D U P S 1
F3_35 F 0.0732(3) 0.7756(2) 0.0165(2) 0.0445(13) Uani 0.770(8) 1 d D U P S 1
C3_35 C 0.2028(3) 0.8208(3) 0.0910(3) 0.0429(13) Uani 0.770(8) 1 d D U P S 1
F4_35 F 0.24147(18) 0.79651(19) 0.1132(2) 0.0524(12) Uani 0.770(8) 1 d D U P S 1
F5_35 F 0.1865(3) 0.7903(2) 0.0375(2) 0.0556(13) Uani 0.770(8) 1 d D U P S 1
F6_35 F 0.2281(2) 0.87478(17) 0.1056(2) 0.0493(12) Uani 0.770(8) 1 d D U P S 1
C4_35 C 0.1639(3) 0.8671(2) 0.1594(3) 0.0377(12) Uani 0.770(8) 1 d D U P S 1
F7_35 F 0.21799(19) 0.87162(17) 0.19298(19) 0.0510(13) Uani 0.770(8) 1 d D U P S
1
F8_35 F 0.1609(3) 0.9186(2) 0.1587(2) 0.0462(13) Uani 0.770(8) 1 d D U P S 1
F9_35 F 0.1277(2) 0.85688(19) 0.17786(18) 0.0402(10) Uani 0.770(8) 1 d D U P S 1
O1_36 O 0.1222(2) 0.6676(2) 0.01313(18) 0.0268(11) Uani 0.827(3) 1 d D U P S 1
C1_36 C 0.1288(2) 0.6267(2) -0.02821(19) 0.0279(9) Uani 0.827(3) 1 d D U P S 1
C2_36 C 0.1158(3) 0.6473(3) -0.0718(2) 0.0424(12) Uani 0.827(3) 1 d D U P S 1
F1_36 F 0.1595(2) 0.68886(17) -0.05877(16) 0.0553(10) Uani 0.827(3) 1 d D U P S
1
F2_36 F 0.1077(2) 0.60381(18) -0.11854(13) 0.0531(10) Uani 0.827(3) 1 d D U P S
1
F3_36 F 0.0685(2) 0.66862(19) -0.07910(15) 0.0563(10) Uani 0.827(3) 1 d D U P S
1
C3_36 C 0.0870(2) 0.5680(2) -0.0506(2) 0.0387(11) Uani 0.827(3) 1 d D U P S 1
F4_36 F 0.08372(17) 0.55827(14) -0.01247(14) 0.0427(8) Uani 0.827(3) 1 d D U P S
1
F5_36 F 0.03300(17) 0.56758(19) -0.08168(17) 0.0548(10) Uani 0.827(3) 1 d D U P
S 1
F6_36 F 0.1029(2) 0.52335(18) -0.08056(17) 0.0486(12) Uani 0.827(3) 1 d D U P S
1
C4_36 C 0.1925(2) 0.6199(2) -0.0091(2) 0.0332(10) Uani 0.827(3) 1 d D U P S 1
F7_36 F 0.19999(16) 0.58868(16) 0.01826(15) 0.0432(8) Uani 0.827(3) 1 d D U P S
1
F8_36 F 0.20754(16) 0.59318(15) -0.04891(14) 0.0453(9) Uani 0.827(3) 1 d D U P S
1
F9_36 F 0.22892(15) 0.67082(14) 0.02271(14) 0.0437(8) Uani 0.827(3) 1 d D U P S
1
O1_37 O 0.07540(16) 0.65970(18) 0.08568(16) 0.0241(8) Uani 0.840(3) 1 d D U P S
1
C1_37 C 0.0202(2) 0.6556(2) 0.0811(2) 0.0291(9) Uani 0.840(3) 1 d D U P S 1
C2_37 C -0.0223(2) 0.6435(3) 0.0243(2) 0.0430(11) Uani 0.840(3) 1 d D U P S 1
F1_37 F -0.02783(16) 0.58951(18) -0.01050(16) 0.0564(10) Uani 0.840(3) 1 d D U P
S 1
F2_37 F -0.07484(15) 0.65057(19) 0.01998(18) 0.0586(11) Uani 0.840(3) 1 d D U P
S 1
F3_37 F -0.00186(16) 0.6791(2) 0.00950(17) 0.0596(11) Uani 0.840(3) 1 d D U P S
1
C3_37 C 0.0143(2) 0.7123(2) 0.1219(3) 0.0446(12) Uani 0.840(3) 1 d D U P S 1
F4_37 F 0.05941(18) 0.73244(19) 0.16790(17) 0.0602(11) Uani 0.840(3) 1 d D U P S
1
F5_37 F 0.0109(2) 0.7531(2) 0.1052(2) 0.0599(13) Uani 0.840(3) 1 d D U P S 1
F6_37 F -0.03392(17) 0.70473(18) 0.12910(19) 0.0644(12) Uani 0.840(3) 1 d D U P
S 1
C4_37 C 0.0043(2) 0.6045(2) 0.0919(2) 0.0389(11) Uani 0.840(3) 1 d D U P S 1
F7_37 F 0.03092(18) 0.6181(2) 0.14311(17) 0.0553(10) Uani 0.840(3) 1 d D U P S 1
F8_37 F -0.05263(14) 0.58934(18) 0.07715(18) 0.0559(10) Uani 0.840(3) 1 d D U P
S 1
F9_37 F 0.02020(18) 0.55802(15) 0.06550(17) 0.0479(9) Uani 0.840(3) 1 d D U P S
1
O1_38 O 0.2410(3) 0.6845(2) 0.2155(2) 0.0303(11) Uani 0.811(4) 1 d D U P T 1
C1_38 C 0.2444(2) 0.7270(2) 0.2614(2) 0.0282(10) Uani 0.811(4) 1 d D U P T 1
C2_38 C 0.1933(3) 0.7072(3) 0.2714(2) 0.0362(11) Uani 0.811(4) 1 d D U P T 1
F1_38 F 0.20350(19) 0.66651(17) 0.28807(18) 0.0448(10) Uani 0.811(4) 1 d D U P T
1
F2_38 F 0.1844(2) 0.75092(17) 0.30849(18) 0.0545(11) Uani 0.811(4) 1 d D U P T 1
F3_38 F 0.14456(15) 0.68530(18) 0.22784(16) 0.0504(10) Uani 0.811(4) 1 d D U P T
1
C3_38 C 0.2396(3) 0.7847(2) 0.2577(3) 0.0426(12) Uani 0.811(4) 1 d D U P T 1
F4_38 F 0.2719(2) 0.79307(16) 0.23393(17) 0.0536(11) Uani 0.811(4) 1 d D U P T 1
F5_38 F 0.1847(2) 0.7819(2) 0.2271(2) 0.0557(11) Uani 0.811(4) 1 d D U P T 1
F6_38 F 0.2569(2) 0.83031(18) 0.30433(19) 0.0606(12) Uani 0.811(4) 1 d D U P T 1
C4_38 C 0.3025(3) 0.7348(3) 0.3075(2) 0.0416(12) Uani 0.811(4) 1 d D U P T 1
F7_38 F 0.34598(17) 0.7635(2) 0.30616(17) 0.0601(12) Uani 0.811(4) 1 d D U P T 1
F8_38 F 0.3018(2) 0.7643(2) 0.35441(15) 0.0606(13) Uani 0.811(4) 1 d D U P T 1
F9_38 F 0.3146(2) 0.6844(2) 0.3039(2) 0.0549(12) Uani 0.811(4) 1 d D U P T 1
O1_39 O 0.2391(2) 0.58692(17) 0.12780(18) 0.0237(9) Uani 0.747(4) 1 d D U P T 1
C1_39 C 0.2184(2) 0.5364(2) 0.1255(2) 0.0265(10) Uani 0.747(4) 1 d D U P T 1
C2_39 C 0.1519(3) 0.5280(2) 0.1090(2) 0.0337(11) Uani 0.747(4) 1 d D U P T 1
F1_39 F 0.12389(17) 0.51483(18) 0.05808(14) 0.0441(10) Uani 0.747(4) 1 d D U P T
1
F2_39 F 0.1308(2) 0.4859(2) 0.11681(17) 0.0451(11) Uani 0.747(4) 1 d D U P T 1
F3_39 F 0.13995(15) 0.57668(16) 0.13683(15) 0.0404(9) Uani 0.747(4) 1 d D U P T
1
C3_39 C 0.2486(3) 0.5352(3) 0.1798(3) 0.0340(12) Uani 0.747(4) 1 d D U P T 1
F4_39 F 0.30462(19) 0.5589(2) 0.20231(19) 0.0472(11) Uani 0.747(4) 1 d D U P T 1
F5_39 F 0.2265(3) 0.5653(2) 0.2134(2) 0.0371(12) Uani 0.747(4) 1 d D U P T 1
F6_39 F 0.2426(3) 0.48111(17) 0.17495(18) 0.0523(12) Uani 0.747(4) 1 d D U P T 1
C4_39 C 0.2301(3) 0.4864(2) 0.0831(2) 0.0403(12) Uani 0.747(4) 1 d D U P T 1
F7_39 F 0.2856(2) 0.4828(2) 0.1021(2) 0.0556(12) Uani 0.747(4) 1 d D U P T 1
F8_39 F 0.1965(2) 0.43521(15) 0.06700(16) 0.0508(11) Uani 0.747(4) 1 d D U P T 1
F9_39 F 0.2198(3) 0.49459(19) 0.04055(17) 0.0489(12) Uani 0.747(4) 1 d D U P T 1
O1_40 O 0.3059(3) 0.6945(4) 0.1568(4) 0.0330(12) Uani 0.591(5) 1 d D U P T 1
C1_40 C 0.3612(3) 0.6958(3) 0.1611(3) 0.0362(9) Uani 0.591(5) 1 d D U P T 1
C2_40 C 0.4031(3) 0.7065(3) 0.2183(3) 0.0421(10) Uani 0.591(5) 1 d D U P T 1
F1_40 F 0.4129(3) 0.7598(2) 0.2535(2) 0.0486(13) Uani 0.591(5) 1 d D U P T 1
F2_40 F 0.4542(2) 0.6957(3) 0.2215(2) 0.0526(13) Uani 0.591(5) 1 d D U P T 1
F3_40 F 0.3786(3) 0.6734(3) 0.2329(3) 0.0466(14) Uani 0.591(5) 1 d D U P T 1
C3_40 C 0.3657(3) 0.6383(3) 0.1205(3) 0.0455(11) Uani 0.591(5) 1 d D U P T 1
F4_40 F 0.3207(4) 0.6190(3) 0.0736(3) 0.0526(16) Uani 0.591(5) 1 d D U P T 1
F5_40 F 0.3643(3) 0.5957(3) 0.1346(3) 0.0508(14) Uani 0.591(5) 1 d D U P T 1
F6_40 F 0.4134(2) 0.6428(3) 0.1131(3) 0.0561(13) Uani 0.591(5) 1 d D U P T 1
C4_40 C 0.3796(3) 0.7469(3) 0.1520(3) 0.0448(10) Uani 0.591(5) 1 d D U P T 1
F7_40 F 0.3537(3) 0.7356(3) 0.1016(3) 0.0583(14) Uani 0.591(5) 1 d D U P T 1
F8_40 F 0.4375(2) 0.7595(3) 0.1683(3) 0.0533(14) Uani 0.591(5) 1 d D U P T 1
F9_40 F 0.3655(3) 0.7946(3) 0.1774(3) 0.0476(13) Uani 0.591(5) 1 d D U P T 1
O1_28 O 0.9303(5) 0.8781(6) 0.5222(5) 0.0371(16) Uani 0.446(3) 1 d D U P P 1
C1_28 C 0.8816(4) 0.8581(4) 0.4771(4) 0.0464(10) Uani 0.446(3) 1 d D U P P 1
C2_28 C 0.8291(4) 0.8764(5) 0.4884(4) 0.0557(12) Uani 0.446(3) 1 d D U P P 1
F1_28 F 0.8309(4) 0.9314(4) 0.4987(4) 0.0747(18) Uani 0.446(3) 1 d D U P P 1
F2_28 F 0.7792(4) 0.8491(6) 0.4442(4) 0.062(2) Uani 0.446(3) 1 d D U P P 1
F3_28 F 0.8257(5) 0.8670(5) 0.5259(4) 0.0584(18) Uani 0.446(3) 1 d D U P P 1
C3_28 C 0.8698(5) 0.7916(4) 0.4465(4) 0.0577(13) Uani 0.446(3) 1 d D U P P 1
F4_28 F 0.9222(4) 0.7748(4) 0.4556(4) 0.0697(17) Uani 0.446(3) 1 d D U P P 1
F5_28 F 0.8436(4) 0.7657(3) 0.4655(3) 0.0571(14) Uani 0.446(3) 1 d D U P P 1
F6_28 F 0.8405(4) 0.7670(4) 0.3960(3) 0.0793(19) Uani 0.446(3) 1 d D U P P 1
C4_28 C 0.8920(5) 0.8879(5) 0.4451(4) 0.0578(12) Uani 0.446(3) 1 d D U P P 1
F7_28 F 0.9239(4) 0.8613(4) 0.4209(3) 0.0633(16) Uani 0.446(3) 1 d D U P P 1
F8_28 F 0.8455(4) 0.8824(5) 0.4037(4) 0.0763(19) Uani 0.446(3) 1 d D U P P 1
F9_28 F 0.9232(4) 0.9385(4) 0.4705(3) 0.0608(16) Uani 0.446(3) 1 d D U P P 1
O1_34 O 0.4893(12) 0.4964(12) 0.2746(7) 0.0588(19) Uani 0.307(4) 1 d D U P R 1
C1_34 C 0.4889(5) 0.4866(5) 0.2267(6) 0.0624(13) Uani 0.307(4) 1 d D U P R 1
C2_34 C 0.4661(6) 0.5349(6) 0.2131(6) 0.0670(15) Uani 0.307(4) 1 d D U P R 1
F1_34 F 0.4084(5) 0.5222(6) 0.1920(6) 0.073(2) Uani 0.307(4) 1 d D U P R 1
F2_34 F 0.4728(6) 0.5356(7) 0.1720(6) 0.070(2) Uani 0.307(4) 1 d D U P R 1
F3_34 F 0.4835(6) 0.5866(5) 0.2531(5) 0.068(2) Uani 0.307(4) 1 d D U P R 1
C3_34 C 0.5517(6) 0.4902(6) 0.2319(6) 0.0649(15) Uani 0.307(4) 1 d D U P R 1
F4_34 F 0.5799(6) 0.4585(6) 0.2545(5) 0.062(2) Uani 0.307(4) 1 d D U P R 1
F5_34 F 0.5839(6) 0.5427(6) 0.2696(5) 0.070(2) Uani 0.307(4) 1 d D U P R 1
F6_34 F 0.5628(6) 0.4791(7) 0.1902(5) 0.070(2) Uani 0.307(4) 1 d D U P R 1
C4_34 C 0.4476(6) 0.4257(6) 0.1887(6) 0.0726(16) Uani 0.307(4) 1 d D U P R 1
F7_34 F 0.4833(7) 0.3870(6) 0.1952(6) 0.078(2) Uani 0.307(4) 1 d D U P R 1
F8_34 F 0.4341(7) 0.4137(6) 0.1402(5) 0.077(2) Uani 0.307(4) 1 d D U P R 1
F9_34 F 0.4068(6) 0.4205(6) 0.2073(6) 0.076(2) Uani 0.307(4) 1 d D U P R 1
O1_27 O 0.9570(7) 0.8375(6) 0.6112(9) 0.0530(19) Uani 0.287(3) 1 d D U P P 1
C1_27 C 0.9434(5) 0.7832(6) 0.6046(5) 0.0548(12) Uani 0.287(3) 1 d D U P P 1
C2_27 C 0.9337(6) 0.7377(6) 0.5489(5) 0.0593(15) Uani 0.287(3) 1 d D U P P 1
F1_27 F 0.9719(6) 0.7460(6) 0.5331(6) 0.064(2) Uani 0.287(3) 1 d D U P P 1
F2_27 F 0.9198(6) 0.6840(5) 0.5405(6) 0.064(2) Uani 0.287(3) 1 d D U P P 1
F3_27 F 0.8867(5) 0.7399(5) 0.5100(4) 0.0547(18) Uani 0.287(3) 1 d D U P P 1
C3_27 C 0.8847(6) 0.7746(6) 0.6089(6) 0.0619(15) Uani 0.287(3) 1 d D U P P 1
F4_27 F 0.8911(6) 0.8043(6) 0.6586(5) 0.059(2) Uani 0.287(3) 1 d D U P P 1
F5_27 F 0.8503(6) 0.8012(7) 0.5842(6) 0.071(2) Uani 0.287(3) 1 d D U P P 1
F6_27 F 0.8599(6) 0.7203(5) 0.5882(6) 0.075(2) Uani 0.287(3) 1 d D U P P 1
C4_27 C 0.9884(6) 0.7695(6) 0.6459(6) 0.0654(15) Uani 0.287(3) 1 d D U P P 1
F7_27 F 1.0113(6) 0.8156(5) 0.6914(5) 0.074(2) Uani 0.287(3) 1 d D U P P 1
F8_27 F 0.9658(6) 0.7271(5) 0.6529(6) 0.071(2) Uani 0.287(3) 1 d D U P P 1
F9_27 F 1.0286(6) 0.7462(6) 0.6313(6) 0.077(2) Uani 0.287(3) 1 d D U P P 1
O1_41 O 0.9405(7) 0.8363(6) 0.6056(7) 0.0386(17) Uani 0.362(3) 1 d D U P P 2
C1_41 C 0.9466(5) 0.7865(5) 0.6104(4) 0.0476(11) Uani 0.362(3) 1 d D U P P 2
C2_41 C 0.9174(5) 0.7822(5) 0.6467(5) 0.0554(13) Uani 0.362(3) 1 d D U P P 2
F1_41 F 0.9561(5) 0.8157(5) 0.6981(4) 0.070(2) Uani 0.362(3) 1 d D U P P 2
F2_41 F 0.9051(5) 0.7278(4) 0.6385(5) 0.0579(18) Uani 0.362(3) 1 d D U P P 2
F3_41 F 0.8662(4) 0.7957(5) 0.6318(5) 0.0621(17) Uani 0.362(3) 1 d D U P P 2
C3_41 C 0.9194(5) 0.7337(5) 0.5561(5) 0.0606(14) Uani 0.362(3) 1 d D U P P 2
F4_41 F 0.9336(5) 0.7429(4) 0.5226(4) 0.0636(18) Uani 0.362(3) 1 d D U P P 2
F5_41 F 0.8606(4) 0.7284(5) 0.5390(5) 0.0724(19) Uani 0.362(3) 1 d D U P P 2
F6_41 F 0.9404(5) 0.6873(4) 0.5591(5) 0.067(2) Uani 0.362(3) 1 d D U P P 2
C4_41 C 1.0108(5) 0.7844(5) 0.6379(5) 0.0539(13) Uani 0.362(3) 1 d D U P P 2
F7_41 F 1.0356(5) 0.7712(5) 0.6027(4) 0.0559(17) Uani 0.362(3) 1 d D U P P 2
F8_41 F 1.0140(5) 0.7458(4) 0.6581(5) 0.0652(18) Uani 0.362(3) 1 d D U P P 2
F9_41 F 1.0415(4) 0.8329(4) 0.6762(4) 0.0553(16) Uani 0.362(3) 1 d D U P P 2
O1_42 O 0.2162(6) 0.5868(5) 0.1311(6) 0.029(3) Uani 0.253(4) 1 d D U P T 2
C1_42 C 0.2265(5) 0.5349(6) 0.1293(5) 0.0324(19) Uani 0.253(4) 1 d D U P T 2
C2_42 C 0.2637(5) 0.5133(5) 0.0983(5) 0.035(2) Uani 0.253(4) 1 d D U P T 2
F1_42 F 0.3189(4) 0.5418(5) 0.1270(4) 0.041(2) Uani 0.253(4) 1 d D U P T 2
F2_42 F 0.2640(6) 0.4573(5) 0.0841(6) 0.044(3) Uani 0.253(4) 1 d D U P T 2
F3_42 F 0.2439(6) 0.5190(6) 0.0536(5) 0.042(3) Uani 0.253(4) 1 d D U P T 2
C3_42 C 0.1678(5) 0.4913(5) 0.1015(5) 0.043(2) Uani 0.253(4) 1 d D U P T 2
F4_42 F 0.1299(6) 0.5150(7) 0.1197(6) 0.053(3) Uani 0.253(4) 1 d D U P T 2
F5_42 F 0.1444(5) 0.4755(5) 0.0496(4) 0.050(3) Uani 0.253(4) 1 d D U P T 2
F6_42 F 0.1717(5) 0.4436(5) 0.1081(6) 0.055(3) Uani 0.253(4) 1 d D U P T 2
C4_42 C 0.2589(6) 0.5411(6) 0.1861(5) 0.036(2) Uani 0.253(4) 1 d D U P T 2
F7_42 F 0.2237(8) 0.5465(7) 0.2100(8) 0.040(3) Uani 0.253(4) 1 d D U P T 2
F8_42 F 0.2808(6) 0.4951(5) 0.1861(5) 0.044(3) Uani 0.253(4) 1 d D U P T 2
F9_42 F 0.3024(5) 0.5873(5) 0.2148(5) 0.036(2) Uani 0.253(4) 1 d D U P T 2
O1_43 O 0.1334(14) 0.6648(11) 0.0145(9) 0.037(4) Uani 0.173(3) 1 d D U P S 2
C1_43 C 0.1156(6) 0.6180(7) -0.0334(7) 0.041(2) Uani 0.173(3) 1 d D U P S 2
C2_43 C 0.1367(8) 0.6332(7) -0.0691(7) 0.048(3) Uani 0.173(3) 1 d D U P S 2
F1_43 F 0.1044(9) 0.6665(8) -0.0864(7) 0.053(3) Uani 0.173(3) 1 d D U P S 2
F2_43 F 0.1340(9) 0.5859(7) -0.1108(6) 0.050(4) Uani 0.173(3) 1 d D U P S 2
F3_43 F 0.1917(7) 0.6636(7) -0.0431(6) 0.052(3) Uani 0.173(3) 1 d D U P S 2
C3_43 C 0.1399(7) 0.5670(7) -0.0255(6) 0.043(3) Uani 0.173(3) 1 d D U P S 2
F4_43 F 0.1343(7) 0.5642(6) 0.0153(5) 0.039(3) Uani 0.173(3) 1 d D U P S 2
F5_43 F 0.1956(6) 0.5731(8) -0.0172(8) 0.053(3) Uani 0.173(3) 1 d D U P S 2
F6_43 F 0.1137(10) 0.5163(7) -0.0674(7) 0.042(4) Uani 0.173(3) 1 d D U P S 2
C4_43 C 0.0483(7) 0.6007(7) -0.0597(7) 0.050(3) Uani 0.173(3) 1 d D U P S 2
F7_43 F 0.0300(8) 0.5704(8) -0.0391(7) 0.058(4) Uani 0.173(3) 1 d D U P S 2
F8_43 F 0.0287(8) 0.5680(8) -0.1120(6) 0.059(4) Uani 0.173(3) 1 d D U P S 2
F9_43 F 0.0255(7) 0.6470(7) -0.0517(6) 0.052(4) Uani 0.173(3) 1 d D U P S 2
O1_44 O 0.5477(14) 0.4327(8) 0.3341(13) 0.045(4) Uani 0.330(6) 1 d D U P R 2
C1_44 C 0.5415(5) 0.3769(7) 0.3268(5) 0.052(2) Uani 0.330(6) 1 d D U P R 2
C2_44 C 0.4975(6) 0.3368(6) 0.2696(6) 0.077(3) Uani 0.330(6) 1 d D U P R 2
F1_44 F 0.5243(7) 0.3286(6) 0.2373(6) 0.097(4) Uani 0.330(6) 1 d D U P R 2
F2_44 F 0.4740(6) 0.2839(5) 0.2611(8) 0.093(4) Uani 0.330(6) 1 d D U P R 2
F3_44 F 0.4514(5) 0.3580(6) 0.2537(7) 0.085(3) Uani 0.330(6) 1 d D U P R 2
C3_44 C 0.5159(6) 0.3671(6) 0.3624(6) 0.065(2) Uani 0.330(6) 1 d D U P R 2
F4_44 F 0.5424(7) 0.4117(6) 0.4107(5) 0.083(3) Uani 0.330(6) 1 d D U P R 2
F5_44 F 0.4584(4) 0.3649(4) 0.3424(5) 0.060(3) Uani 0.330(6) 1 d D U P R 2
F6_44 F 0.5241(7) 0.3177(6) 0.3652(7) 0.089(3) Uani 0.330(6) 1 d D U P R 2
C4_44 C 0.6018(6) 0.3623(7) 0.3412(6) 0.055(2) Uani 0.330(6) 1 d D U P R 2
F7_44 F 0.6375(6) 0.3911(7) 0.3943(5) 0.071(3) Uani 0.330(6) 1 d D U P R 2
F8_44 F 0.6003(8) 0.3068(6) 0.3274(7) 0.062(3) Uani 0.330(6) 1 d D U P R 2
F9_44 F 0.6295(4) 0.3788(5) 0.3176(5) 0.040(2) Uani 0.330(6) 1 d D U P R 2
O1_45 O 0.4972(8) 0.5045(9) 0.2788(5) 0.0597(19) Uani 0.379(4) 1 d D U P R 2
C1_45 C 0.4838(5) 0.4884(5) 0.2272(5) 0.0624(12) Uani 0.379(4) 1 d D U P R 2
C2_45 C 0.5341(5) 0.4635(6) 0.2165(5) 0.0699(15) Uani 0.379(4) 1 d D U P R 2
F1_45 F 0.5283(6) 0.4091(5) 0.2089(5) 0.075(2) Uani 0.379(4) 1 d D U P R 2
F2_45 F 0.5372(6) 0.4666(6) 0.1755(5) 0.073(2) Uani 0.379(4) 1 d D U P R 2
F3_45 F 0.5839(4) 0.4956(6) 0.2582(4) 0.080(2) Uani 0.379(4) 1 d D U P R 2
C3_45 C 0.4744(6) 0.5421(5) 0.2164(5) 0.0693(14) Uani 0.379(4) 1 d D U P R 2
F4_45 F 0.4376(5) 0.5678(5) 0.2360(4) 0.0769(19) Uani 0.379(4) 1 d D U P R 2
F5_45 F 0.5238(5) 0.5775(5) 0.2348(5) 0.079(2) Uani 0.379(4) 1 d D U P R 2
F6_45 F 0.4477(5) 0.5246(5) 0.1635(4) 0.071(2) Uani 0.379(4) 1 d D U P R 2
C4_45 C 0.4251(5) 0.4458(5) 0.1962(5) 0.0688(15) Uani 0.379(4) 1 d D U P R 2
F7_45 F 0.3791(4) 0.4686(6) 0.1955(5) 0.081(2) Uani 0.379(4) 1 d D U P R 2
F8_45 F 0.4066(5) 0.4208(5) 0.1471(4) 0.0664(18) Uani 0.379(4) 1 d D U P R 2
F9_45 F 0.4278(5) 0.4020(5) 0.2116(5) 0.078(2) Uani 0.379(4) 1 d D U P R 2
O1_46 O 0.9515(17) 1.0617(12) 0.6700(14) 0.054(2) Uani 0.234(3) 1 d D U P P 3
C1_46 C 0.9439(7) 1.1019(6) 0.6521(6) 0.0625(13) Uani 0.234(3) 1 d D U P P 3
C2_46 C 0.9157(7) 1.0702(6) 0.5904(6) 0.0667(16) Uani 0.234(3) 1 d D U P P 3
F1_46 F 0.8704(7) 1.0293(7) 0.5718(7) 0.072(2) Uani 0.234(3) 1 d D U P P 3
F2_46 F 0.8995(8) 1.1057(7) 0.5684(7) 0.069(2) Uani 0.234(3) 1 d D U P P 3
F3_46 F 0.9493(7) 1.0377(7) 0.5723(6) 0.070(2) Uani 0.234(3) 1 d D U P P 3
C3_46 C 1.0016(7) 1.1384(7) 0.6627(6) 0.0677(16) Uani 0.234(3) 1 d D U P P 3
F4_46 F 1.0469(6) 1.1290(7) 0.6941(7) 0.070(2) Uani 0.234(3) 1 d D U P P 3
F5_46 F 0.9910(8) 1.1160(8) 0.6108(6) 0.079(2) Uani 0.234(3) 1 d D U P P 3
F6_46 F 1.0046(7) 1.1955(6) 0.6810(7) 0.065(2) Uani 0.234(3) 1 d D U P P 3
C4_46 C 0.9132(7) 1.1451(7) 0.6779(6) 0.0673(15) Uani 0.234(3) 1 d D U P P 3
F7_46 F 0.9488(8) 1.1706(7) 0.7319(6) 0.070(2) Uani 0.234(3) 1 d D U P P 3
F8_46 F 0.9097(8) 1.1870(6) 0.6636(7) 0.069(2) Uani 0.234(3) 1 d D U P P 3
F9_46 F 0.8612(7) 1.1253(8) 0.6729(8) 0.078(2) Uani 0.234(3) 1 d D U P P 3
O1_47 O 0.9238(9) 0.8666(12) 0.5236(8) 0.0483(19) Uani 0.306(3) 1 d D U P P 2
C1_47 C 0.8845(5) 0.8727(5) 0.4824(5) 0.0529(12) Uani 0.306(3) 1 d D U P P 2
C2_47 C 0.8244(5) 0.8364(6) 0.4633(5) 0.0562(14) Uani 0.306(3) 1 d D U P P 2
F1_47 F 0.8240(5) 0.7805(5) 0.4354(4) 0.067(2) Uani 0.306(3) 1 d D U P P 2
F2_47 F 0.7827(5) 0.8454(7) 0.4279(4) 0.058(2) Uani 0.306(3) 1 d D U P P 2
F3_47 F 0.8128(5) 0.8425(6) 0.5041(4) 0.061(2) Uani 0.306(3) 1 d D U P P 2
C3_47 C 0.8810(5) 0.9385(5) 0.5032(5) 0.0519(14) Uani 0.306(3) 1 d D U P P 2
F4_47 F 0.9328(4) 0.9729(5) 0.5315(4) 0.063(2) Uani 0.306(3) 1 d D U P P 2
F5_47 F 0.8482(5) 0.9478(5) 0.5310(4) 0.0439(18) Uani 0.306(3) 1 d D U P P 2
F6_47 F 0.8535(5) 0.9494(5) 0.4619(4) 0.0590(19) Uani 0.306(3) 1 d D U P P 2
C4_47 C 0.9030(6) 0.8557(6) 0.4365(5) 0.0614(15) Uani 0.306(3) 1 d D U P P 2
F7_47 F 0.9440(5) 0.8978(6) 0.4472(5) 0.074(2) Uani 0.306(3) 1 d D U P P 2
F8_47 F 0.8607(5) 0.8518(6) 0.3920(4) 0.061(2) Uani 0.306(3) 1 d D U P P 2
F9_47 F 0.9186(6) 0.8031(6) 0.4302(5) 0.071(2) Uani 0.306(3) 1 d D U P P 2
O1_48 O 1.3637(11) 0.8358(10) 0.9772(6) 0.047(3) Uani 0.450(5) 1 d D U P M 2
C1_48 C 1.3839(5) 0.8742(5) 1.0290(5) 0.0542(19) Uani 0.450(5) 1 d D U P M 2
C2_48 C 1.3333(5) 0.8738(6) 1.0457(5) 0.062(2) Uani 0.450(5) 1 d D U P M 2
F1_48 F 1.2989(4) 0.9051(4) 1.0302(3) 0.076(2) Uani 0.450(5) 1 d D U P M 2
F2_48 F 1.3518(6) 0.8953(6) 1.0983(4) 0.078(3) Uani 0.450(5) 1 d D U P M 2
F3_48 F 1.3057(5) 0.8212(5) 1.0294(4) 0.082(3) Uani 0.450(5) 1 d D U P M 2
C3_48 C 1.4362(5) 0.8599(6) 1.0643(4) 0.069(2) Uani 0.450(5) 1 d D U P M 2
F4_48 F 1.4702(5) 0.8393(6) 1.0395(4) 0.080(3) Uani 0.450(5) 1 d D U P M 2
F5_48 F 1.4221(5) 0.8215(5) 1.0787(4) 0.091(3) Uani 0.450(5) 1 d D U P M 2
F6_48 F 1.4686(5) 0.9072(5) 1.1105(4) 0.078(3) Uani 0.450(5) 1 d D U P M 2
C4_48 C 1.4036(6) 0.9351(5) 1.0337(5) 0.076(2) Uani 0.450(5) 1 d D U P M 2
F7_48 F 1.4553(5) 0.9389(5) 1.0325(4) 0.092(3) Uani 0.450(5) 1 d D U P M 2
F8_48 F 1.4089(8) 0.9765(6) 1.0792(5) 0.099(4) Uani 0.450(5) 1 d D U P M 2
F9_48 F 1.3646(6) 0.9394(6) 0.9915(5) 0.095(3) Uani 0.450(5) 1 d D U P M 2
O1_49 O 0.9623(5) 1.0227(5) 0.7288(4) 0.030(2) Uani 0.299(5) 1 d D U P P 2
C1_49 C 0.9975(6) 1.0144(5) 0.7701(5) 0.038(2) Uani 0.299(5) 1 d D U P P 2
C2_49 C 1.0587(6) 1.0155(7) 0.7715(6) 0.055(3) Uani 0.299(5) 1 d D U P P 2
F1_49 F 1.0583(6) 0.9654(6) 0.7340(5) 0.064(3) Uani 0.299(5) 1 d D U P P 2
F2_49 F 1.0971(7) 1.0193(8) 0.8170(6) 0.065(4) Uani 0.299(5) 1 d D U P P 2
F3_49 F 1.0731(6) 1.0555(7) 0.7587(7) 0.074(3) Uani 0.299(5) 1 d D U P P 2
C3_49 C 1.0009(6) 1.0632(6) 0.8215(5) 0.048(2) Uani 0.299(5) 1 d D U P P 2
F4_49 F 0.9491(5) 1.0718(7) 0.8182(5) 0.059(3) Uani 0.299(5) 1 d D U P P 2
F5_49 F 1.0322(6) 1.1137(5) 0.8333(5) 0.067(3) Uani 0.299(5) 1 d D U P P 2
F6_49 F 1.0269(5) 1.0525(6) 0.8631(4) 0.061(3) Uani 0.299(5) 1 d D U P P 2
C4_49 C 0.9747(6) 0.9546(5) 0.7644(5) 0.054(2) Uani 0.299(5) 1 d D U P P 2
F7_49 F 0.9289(6) 0.9557(7) 0.7760(6) 0.072(3) Uani 0.299(5) 1 d D U P P 2
F8_49 F 1.0139(7) 0.9389(7) 0.7974(6) 0.079(3) Uani 0.299(5) 1 d D U P P 2
F9_49 F 0.9544(6) 0.9146(5) 0.7148(4) 0.073(3) Uani 0.299(5) 1 d D U P P 2
O1_50 O 1.0363(9) 0.9006(13) 0.6061(12) 0.040(3) Uani 0.374(5) 1 d D U P P 2
C1_50 C 1.0850(6) 0.9128(5) 0.5997(4) 0.0395(18) Uani 0.374(5) 1 d D U P P 2
C2_50 C 1.1353(4) 0.9445(5) 0.6556(5) 0.051(2) Uani 0.374(5) 1 d D U P P 2
F1_50 F 1.1321(6) 0.9989(5) 0.6819(6) 0.070(3) Uani 0.374(5) 1 d D U P P 2
F2_50 F 1.1871(4) 0.9478(5) 0.6540(5) 0.064(3) Uani 0.374(5) 1 d D U P P 2
F3_50 F 1.1336(7) 0.9128(6) 0.6817(5) 0.059(3) Uani 0.374(5) 1 d D U P P 2
C3_50 C 1.0989(5) 0.8557(5) 0.5676(5) 0.0500(19) Uani 0.374(5) 1 d D U P P 2
F4_50 F 1.0505(6) 0.8225(7) 0.5234(6) 0.065(3) Uani 0.374(5) 1 d D U P P 2
F5_50 F 1.1207(6) 0.8279(5) 0.5951(5) 0.056(2) Uani 0.374(5) 1 d D U P P 2
F6_50 F 1.1386(5) 0.8648(7) 0.5513(5) 0.051(3) Uani 0.374(5) 1 d D U P P 2
C4_50 C 1.0742(5) 0.9460(5) 0.5661(5) 0.053(2) Uani 0.374(5) 1 d D U P P 2
F7_50 F 1.0470(6) 0.9075(5) 0.5130(4) 0.064(3) Uani 0.374(5) 1 d D U P P 2
F8_50 F 1.1196(4) 0.9713(5) 0.5672(5) 0.052(2) Uani 0.374(5) 1 d D U P P 2
F9_50 F 1.0363(4) 0.9759(4) 0.5703(4) 0.048(2) Uani 0.374(5) 1 d D U P P 2
O1_51 O 0.3038(8) 0.6886(14) 0.1489(11) 0.0401(19) Uani 0.214(5) 1 d D U P T 2
C1_51 C 0.3601(7) 0.6950(6) 0.1567(6) 0.0415(13) Uani 0.214(5) 1 d D U P T 2
C2_51 C 0.3905(6) 0.6577(6) 0.1827(6) 0.0452(15) Uani 0.214(5) 1 d D U P T 2
F1_51 F 0.3771(10) 0.6592(8) 0.2213(7) 0.046(2) Uani 0.214(5) 1 d D U P T 2
F2_51 F 0.4478(5) 0.6730(7) 0.2040(7) 0.046(2) Uani 0.214(5) 1 d D U P T 2
F3_51 F 0.3746(10) 0.6020(7) 0.1479(7) 0.047(2) Uani 0.214(5) 1 d D U P T 2
C3_51 C 0.3618(6) 0.6755(7) 0.1021(6) 0.0451(15) Uani 0.214(5) 1 d D U P T 2
F4_51 F 0.3475(7) 0.7122(7) 0.0818(6) 0.044(2) Uani 0.214(5) 1 d D U P T 2
F5_51 F 0.3267(9) 0.6269(7) 0.0646(7) 0.047(2) Uani 0.214(5) 1 d D U P T 2
F6_51 F 0.4139(5) 0.6687(7) 0.1045(6) 0.049(2) Uani 0.214(5) 1 d D U P T 2
C4_51 C 0.3907(7) 0.7600(6) 0.1908(6) 0.0466(15) Uani 0.214(5) 1 d D U P T 2
F7_51 F 0.3532(8) 0.7921(9) 0.1786(9) 0.051(2) Uani 0.214(5) 1 d D U P T 2
F8_51 F 0.4388(7) 0.7726(8) 0.1861(7) 0.051(2) Uani 0.214(5) 1 d D U P T 2
F9_51 F 0.4027(8) 0.7737(7) 0.2413(6) 0.046(2) Uani 0.214(5) 1 d D U P T 2
O1_52 O 0.3061(7) 0.6704(8) 0.1551(8) 0.0414(19) Uani 0.193(3) 1 d D U P T 3
C1_52 C 0.3487(6) 0.6996(6) 0.1517(5) 0.0439(13) Uani 0.193(3) 1 d D U P T 3
C2_52 C 0.4066(6) 0.6844(6) 0.1762(6) 0.0460(15) Uani 0.193(3) 1 d D U P T 3
F1_52 F 0.4089(6) 0.6311(5) 0.1456(6) 0.045(2) Uani 0.193(3) 1 d D U P T 3
F2_52 F 0.4507(6) 0.7223(6) 0.1850(6) 0.051(2) Uani 0.193(3) 1 d D U P T 3
F3_52 F 0.4115(7) 0.6871(8) 0.2224(6) 0.049(2) Uani 0.193(3) 1 d D U P T 3
C3_52 C 0.3528(7) 0.7651(6) 0.1792(6) 0.0471(15) Uani 0.193(3) 1 d D U P T 3
F4_52 F 0.3012(5) 0.7777(6) 0.1707(6) 0.047(2) Uani 0.193(3) 1 d D U P T 3
F5_52 F 0.3811(7) 0.7881(7) 0.2316(5) 0.050(2) Uani 0.193(3) 1 d D U P T 3
F6_52 F 0.3785(8) 0.7934(7) 0.1618(7) 0.052(2) Uani 0.193(3) 1 d D U P T 3
C4_52 C 0.3295(7) 0.6798(7) 0.0913(6) 0.0478(16) Uani 0.193(3) 1 d D U P T 3
F7_52 F 0.2848(6) 0.7012(7) 0.0709(6) 0.051(2) Uani 0.193(3) 1 d D U P T 3
F8_52 F 0.3722(6) 0.6961(8) 0.0817(6) 0.052(2) Uani 0.193(3) 1 d D U P T 3
F9_52 F 0.3112(10) 0.6228(7) 0.0665(10) 0.048(2) Uani 0.193(3) 1 d D U P T 3
O1_53 O 0.0689(8) 0.6681(10) 0.0715(9) 0.032(4) Uani 0.160(3) 1 d D U P S 2
C1_53 C 0.0311(7) 0.6612(6) 0.0917(6) 0.042(2) Uani 0.160(3) 1 d D U P S 2
C2_53 C -0.0312(7) 0.6455(8) 0.0484(7) 0.051(3) Uani 0.160(3) 1 d D U P S 2
F1_53 F -0.0448(8) 0.5902(7) 0.0135(8) 0.055(4) Uani 0.160(3) 1 d D U P S 2
F2_53 F -0.0702(7) 0.6542(9) 0.0686(8) 0.060(4) Uani 0.160(3) 1 d D U P S 2
F3_53 F -0.0359(9) 0.6782(9) 0.0230(8) 0.058(4) Uani 0.160(3) 1 d D U P S 2
C3_53 C 0.0394(8) 0.7181(7) 0.1401(7) 0.044(3) Uani 0.160(3) 1 d D U P S 2
F4_53 F 0.0956(7) 0.7421(7) 0.1700(6) 0.043(3) Uani 0.160(3) 1 d D U P S 2
F5_53 F 0.0157(11) 0.7573(9) 0.1265(9) 0.046(4) Uani 0.160(3) 1 d D U P S 2
F6_53 F 0.0186(8) 0.7101(8) 0.1717(7) 0.051(4) Uani 0.160(3) 1 d D U P S 2
C4_53 C 0.0430(8) 0.6122(7) 0.1087(7) 0.049(3) Uani 0.160(3) 1 d D U P S 2
F7_53 F 0.0916(7) 0.6306(8) 0.1529(7) 0.055(4) Uani 0.160(3) 1 d D U P S 2
F8_53 F 0.0004(9) 0.5951(9) 0.1186(9) 0.059(4) Uani 0.160(3) 1 d D U P S 2
F9_53 F 0.0492(10) 0.5670(8) 0.0709(8) 0.053(4) Uani 0.160(3) 1 d D U P S 2
O1_54 O 0.2432(16) 0.6965(12) 0.2180(9) 0.043(4) Uani 0.189(4) 1 d D U P T 2
C1_54 C 0.2492(6) 0.7292(7) 0.2680(7) 0.042(2) Uani 0.189(4) 1 d D U P T 2
C2_54 C 0.2536(7) 0.7929(7) 0.2770(7) 0.048(3) Uani 0.189(4) 1 d D U P T 2
F1_54 F 0.3044(6) 0.8143(7) 0.2808(7) 0.055(3) Uani 0.189(4) 1 d D U P T 2
F2_54 F 0.2469(9) 0.8258(8) 0.3205(7) 0.056(4) Uani 0.189(4) 1 d D U P T 2
F3_54 F 0.2126(8) 0.7969(8) 0.2365(7) 0.048(3) Uani 0.189(4) 1 d D U P T 2
C3_54 C 0.1992(7) 0.7119(7) 0.2801(7) 0.046(3) Uani 0.189(4) 1 d D U P T 2
F4_54 F 0.1836(8) 0.6548(6) 0.2614(8) 0.052(4) Uani 0.189(4) 1 d D U P T 2
F5_54 F 0.1522(6) 0.7308(7) 0.2603(6) 0.045(3) Uani 0.189(4) 1 d D U P T 2
F6_54 F 0.2136(7) 0.7349(8) 0.3327(6) 0.056(4) Uani 0.189(4) 1 d D U P T 2
C4_54 C 0.3071(7) 0.7249(8) 0.3074(7) 0.045(3) Uani 0.189(4) 1 d D U P T 2
F7_54 F 0.2990(9) 0.6767(7) 0.3123(8) 0.047(4) Uani 0.189(4) 1 d D U P T 2
F8_54 F 0.3276(8) 0.7705(7) 0.3542(6) 0.048(4) Uani 0.189(4) 1 d D U P T 2
F9_54 F 0.3473(6) 0.7221(9) 0.2889(6) 0.051(3) Uani 0.189(4) 1 d D U P T 2
O1_29 O 0.6667(5) 0.6151(5) 0.4772(3) 0.0311(17) Uani 0.621(5) 1 d D U P Q 1
C1_29 C 0.6608(3) 0.6283(3) 0.5231(3) 0.0300(12) Uani 0.621(5) 1 d D U P Q 1
C2_29 C 0.6958(3) 0.5935(3) 0.5498(3) 0.0381(13) Uani 0.621(5) 1 d D U P Q 1
F1_29 F 0.7528(2) 0.6179(3) 0.5714(2) 0.0462(12) Uani 0.621(5) 1 d D U P Q 1
F2_29 F 0.6840(3) 0.5945(3) 0.5896(2) 0.0395(12) Uani 0.621(5) 1 d D U P Q 1
F3_29 F 0.6886(3) 0.5392(3) 0.5169(2) 0.0432(14) Uani 0.621(5) 1 d D U P Q 1
C3_29 C 0.5958(3) 0.6111(3) 0.5111(3) 0.0334(13) Uani 0.621(5) 1 d D U P Q 1
F4_29 F 0.5639(3) 0.6288(3) 0.4763(3) 0.0357(14) Uani 0.621(5) 1 d D U P Q 1
F5_29 F 0.5778(2) 0.5536(2) 0.4875(2) 0.0427(12) Uani 0.621(5) 1 d D U P Q 1
F6_29 F 0.5854(3) 0.6332(2) 0.5536(2) 0.0381(12) Uani 0.621(5) 1 d D U P Q 1
C4_29 C 0.6837(4) 0.6942(3) 0.5618(3) 0.0431(16) Uani 0.621(5) 1 d D U P Q 1
F7_29 F 0.6439(3) 0.7226(3) 0.5447(3) 0.0554(18) Uani 0.621(5) 1 d D U P Q 1
F8_29 F 0.6937(3) 0.7046(2) 0.6118(2) 0.0597(15) Uani 0.621(5) 1 d D U P Q 1
F9_29 F 0.7339(2) 0.7130(2) 0.5632(2) 0.0522(13) Uani 0.621(5) 1 d D U P Q 1
O1_55 O 0.6598(14) 0.6028(13) 0.4688(9) 0.038(3) Uani 0.179(4) 1 d D U P Q 2
C1_55 C 0.6483(6) 0.5941(6) 0.5058(6) 0.042(2) Uani 0.179(4) 1 d D U P Q 2
C2_55 C 0.6558(8) 0.5327(7) 0.4988(6) 0.045(3) Uani 0.179(4) 1 d D U P Q 2
F1_55 F 0.7122(7) 0.5319(9) 0.5177(7) 0.049(3) Uani 0.179(4) 1 d D U P Q 2
F2_55 F 0.6333(8) 0.5146(8) 0.5244(7) 0.052(3) Uani 0.179(4) 1 d D U P Q 2
F3_55 F 0.6318(7) 0.4944(7) 0.4480(5) 0.048(3) Uani 0.179(4) 1 d D U P Q 2
C3_55 C 0.5855(7) 0.5982(8) 0.4990(7) 0.042(3) Uani 0.179(4) 1 d D U P Q 2
F4_55 F 0.5704(14) 0.6403(11) 0.4859(12) 0.043(4) Uani 0.179(4) 1 d D U P Q 2
F5_55 F 0.5476(7) 0.5499(7) 0.4587(6) 0.047(3) Uani 0.179(4) 1 d D U P Q 2
F6_55 F 0.5782(9) 0.6067(9) 0.5425(7) 0.046(4) Uani 0.179(4) 1 d D U P Q 2
C4_55 C 0.6925(7) 0.6399(7) 0.5607(6) 0.047(2) Uani 0.179(4) 1 d D U P Q 2
F7_55 F 0.6795(9) 0.6918(7) 0.5731(8) 0.052(4) Uani 0.179(4) 1 d D U P Q 2
F8_55 F 0.6951(9) 0.6258(9) 0.5991(6) 0.051(3) Uani 0.179(4) 1 d D U P Q 2
F9_55 F 0.7458(7) 0.6457(9) 0.5627(7) 0.052(3) Uani 0.179(4) 1 d D U P Q 2
O1_56 O 0.4576(6) 0.4861(9) 0.3398(6) 0.029(4) Uani 0.236(4) 1 d D U P R 2
C1_56 C 0.4091(6) 0.5032(6) 0.3414(5) 0.055(2) Uani 0.236(4) 1 d D U P R 2
C2_56 C 0.4167(8) 0.5664(7) 0.3788(7) 0.067(3) Uani 0.236(4) 1 d D U P R 2
F1_56 F 0.4303(8) 0.5696(8) 0.4278(7) 0.078(4) Uani 0.236(4) 1 d D U P R 2
F2_56 F 0.3700(10) 0.5871(12) 0.3606(9) 0.071(5) Uani 0.236(4) 1 d D U P R 2
F3_56 F 0.4622(11) 0.6033(13) 0.3878(13) 0.074(5) Uani 0.236(4) 1 d D U P R 2
C3_56 C 0.3674(6) 0.4906(7) 0.2837(6) 0.067(3) Uani 0.236(4) 1 d D U P R 2
F4_56 F 0.3697(6) 0.4411(6) 0.2484(6) 0.064(3) Uani 0.236(4) 1 d D U P R 2
F5_56 F 0.3860(7) 0.5324(8) 0.2744(8) 0.080(4) Uani 0.236(4) 1 d D U P R 2
F6_56 F 0.3141(5) 0.4848(6) 0.2785(6) 0.058(3) Uani 0.236(4) 1 d D U P R 2
C4_56 C 0.3771(6) 0.4638(7) 0.3559(6) 0.057(3) Uani 0.236(4) 1 d D U P R 2
F7_56 F 0.3545(6) 0.4136(6) 0.3110(6) 0.053(3) Uani 0.236(4) 1 d D U P R 2
F8_56 F 0.3346(6) 0.4886(7) 0.3668(7) 0.064(3) Uani 0.236(4) 1 d D U P R 2
F9_56 F 0.4151(5) 0.4602(6) 0.3987(6) 0.052(3) Uani 0.236(4) 1 d D U P R 2
O1_57 O 1.4283(9) 0.8366(14) 0.9174(12) 0.041(3) Uani 0.412(6) 1 d D U P M 2
C1_57 C 1.4773(6) 0.8337(5) 0.9097(4) 0.0434(19) Uani 0.412(6) 1 d D U P M 2
C2_57 C 1.5217(5) 0.8149(5) 0.9479(5) 0.059(2) Uani 0.412(6) 1 d D U P M 2
F1_57 F 1.4994(8) 0.7654(6) 0.9461(7) 0.076(4) Uani 0.412(6) 1 d D U P M 2
F2_57 F 1.5644(5) 0.7990(7) 0.9347(5) 0.070(3) Uani 0.412(6) 1 d D U P M 2
F3_57 F 1.5497(5) 0.8596(5) 0.9957(4) 0.076(3) Uani 0.412(6) 1 d D U P M 2
C3_57 C 1.5041(5) 0.8942(5) 0.9189(5) 0.053(2) Uani 0.412(6) 1 d D U P M 2
F4_57 F 1.4729(4) 0.9045(5) 0.8781(4) 0.061(2) Uani 0.412(6) 1 d D U P M 2
F5_57 F 1.5124(7) 0.9340(6) 0.9674(5) 0.069(3) Uani 0.412(6) 1 d D U P M 2
F6_57 F 1.5556(5) 0.8964(8) 0.9175(6) 0.063(3) Uani 0.412(6) 1 d D U P M 2
C4_57 C 1.4617(5) 0.7893(5) 0.8518(5) 0.062(2) Uani 0.412(6) 1 d D U P M 2
F7_57 F 1.4145(6) 0.8006(7) 0.8204(6) 0.078(3) Uani 0.412(6) 1 d D U P M 2
F8_57 F 1.5071(6) 0.7955(8) 0.8407(7) 0.071(3) Uani 0.412(6) 1 d D U P M 2
F9_57 F 1.4528(5) 0.7353(4) 0.8461(4) 0.061(2) Uani 0.412(6) 1 d D U P M 2
O1_58 O 1.2607(17) 0.8961(11) 0.8420(14) 0.036(4) Uani 0.097(4) 1 d D U P M 2
C1_58 C 1.2913(10) 0.9516(10) 0.8688(8) 0.039(3) Uani 0.097(4) 1 d D U P M 2
C2_58 C 1.2612(10) 0.9875(10) 0.8408(9) 0.044(3) Uani 0.097(4) 1 d D U P M 2
F1_58 F 1.2704(16) 0.9770(15) 0.7978(10) 0.052(4) Uani 0.097(4) 1 d D U P M 2
F2_58 F 1.2808(13) 1.0442(9) 0.8730(11) 0.044(4) Uani 0.097(4) 1 d D U P M 2
F3_58 F 1.2044(10) 0.9774(16) 0.8276(14) 0.047(5) Uani 0.097(4) 1 d D U P M 2
C3_58 C 1.2980(11) 0.9783(11) 0.9267(9) 0.045(3) Uani 0.097(4) 1 d D U P M 2
F4_58 F 1.3068(13) 0.9422(12) 0.9482(10) 0.049(4) Uani 0.097(4) 1 d D U P M 2
F5_58 F 1.2507(15) 0.9960(17) 0.9299(14) 0.044(4) Uani 0.097(4) 1 d D U P M 2
F6_58 F 1.3427(17) 1.0240(15) 0.9572(15) 0.050(5) Uani 0.097(4) 1 d D U P M 2
C4_58 C 1.3539(10) 0.9546(12) 0.8726(11) 0.042(3) Uani 0.097(4) 1 d D U P M 2
F7_58 F 1.3838(13) 0.9393(15) 0.9104(13) 0.044(4) Uani 0.097(4) 1 d D U P M 2
F8_58 F 1.3822(14) 1.0079(12) 0.8884(14) 0.044(5) Uani 0.097(4) 1 d D U P M 2
F9_58 F 1.3553(18) 0.9191(17) 0.8276(13) 0.041(5) Uani 0.097(4) 1 d D U P M 2
O1_59 O 1.3556(15) 0.7339(10) 0.9044(13) 0.069(5) Uani 0.163(4) 1 d D U P M 2
C1_59 C 1.3296(8) 0.6772(9) 0.8765(7) 0.077(3) Uani 0.163(4) 1 d D U P M 2
C2_59 C 1.2907(10) 0.6623(10) 0.9008(9) 0.085(4) Uani 0.163(4) 1 d D U P M 2
F1_59 F 1.3218(12) 0.6516(13) 0.9410(10) 0.098(5) Uani 0.163(4) 1 d D U P M 2
F2_59 F 1.2476(12) 0.6161(11) 0.8645(11) 0.085(5) Uani 0.163(4) 1 d D U P M 2
F3_59 F 1.2694(14) 0.7073(11) 0.9197(13) 0.093(5) Uani 0.163(4) 1 d D U P M 2
C3_59 C 1.2907(9) 0.6638(9) 0.8186(8) 0.082(4) Uani 0.163(4) 1 d D U P M 2
F4_59 F 1.3171(11) 0.6874(11) 0.7985(10) 0.090(5) Uani 0.163(4) 1 d D U P M 2
F5_59 F 1.2425(9) 0.6837(10) 0.8167(11) 0.087(5) Uani 0.163(4) 1 d D U P M 2
F6_59 F 1.2761(11) 0.6076(8) 0.7879(10) 0.080(5) Uani 0.163(4) 1 d D U P M 2
C4_59 C 1.3751(9) 0.6399(10) 0.8809(9) 0.082(4) Uani 0.163(4) 1 d D U P M 2
F7_59 F 1.4000(13) 0.6355(12) 0.8483(12) 0.092(5) Uani 0.163(4) 1 d D U P M 2
F8_59 F 1.3529(14) 0.5870(10) 0.8714(13) 0.085(5) Uani 0.163(4) 1 d D U P M 2
F9_59 F 1.4142(11) 0.6641(10) 0.9310(9) 0.091(5) Uani 0.163(4) 1 d D U P M 2
O1_60 O 0.6647(17) 0.6189(16) 0.4746(9) 0.047(4) Uani 0.200(4) 1 d D U P Q 3
C1_60 C 0.6732(6) 0.6274(6) 0.5243(7) 0.050(2) Uani 0.200(4) 1 d D U P Q 3
C2_60 C 0.6585(7) 0.5689(7) 0.5238(7) 0.054(3) Uani 0.200(4) 1 d D U P Q 3
F1_60 F 0.6025(7) 0.5447(8) 0.4991(8) 0.060(3) Uani 0.200(4) 1 d D U P Q 3
F2_60 F 0.6735(10) 0.5703(10) 0.5707(7) 0.062(4) Uani 0.200(4) 1 d D U P Q 3
F3_60 F 0.6809(10) 0.5300(9) 0.4957(8) 0.057(4) Uani 0.200(4) 1 d D U P Q 3
C3_60 C 0.7371(7) 0.6596(8) 0.5622(7) 0.060(3) Uani 0.200(4) 1 d D U P Q 3
F4_60 F 0.7542(8) 0.6959(8) 0.5470(7) 0.066(4) Uani 0.200(4) 1 d D U P Q 3
F5_60 F 0.7727(8) 0.6228(8) 0.5600(8) 0.068(4) Uani 0.200(4) 1 d D U P Q 3
F6_60 F 0.7461(9) 0.6891(9) 0.6125(6) 0.078(4) Uani 0.200(4) 1 d D U P Q 3
C4_60 C 0.6342(7) 0.6679(7) 0.5411(7) 0.055(3) Uani 0.200(4) 1 d D U P Q 3
F7_60 F 0.6561(11) 0.7239(8) 0.5582(10) 0.057(4) Uani 0.200(4) 1 d D U P Q 3
F8_60 F 0.6250(9) 0.6627(9) 0.5797(7) 0.069(4) Uani 0.200(4) 1 d D U P Q 3
F9_60 F 0.5830(8) 0.6526(9) 0.5015(7) 0.056(4) Uani 0.200(4) 1 d D U P Q 3
O1_61 O 0.9382(7) 0.8270(5) 0.5903(5) 0.0446(18) Uani 0.351(3) 1 d D U P P 3
C1_61 C 0.9471(5) 0.7861(5) 0.6083(5) 0.0492(11) Uani 0.351(3) 1 d D U P P 3
C2_61 C 0.8899(5) 0.7459(5) 0.5889(5) 0.0564(13) Uani 0.351(3) 1 d D U P P 3
F1_61 F 0.8783(5) 0.7017(5) 0.5391(4) 0.0680(19) Uani 0.351(3) 1 d D U P P 3
F2_61 F 0.8891(5) 0.7144(5) 0.6142(5) 0.0579(19) Uani 0.351(3) 1 d D U P P 3
F3_61 F 0.8437(4) 0.7656(4) 0.5768(5) 0.0588(17) Uani 0.351(3) 1 d D U P P 3
C3_61 C 0.9746(5) 0.8208(5) 0.6702(5) 0.0621(14) Uani 0.351(3) 1 d D U P P 3
F4_61 F 1.0178(5) 0.8630(5) 0.6851(4) 0.070(2) Uani 0.351(3) 1 d D U P P 3
F5_61 F 0.9309(5) 0.8371(5) 0.6836(5) 0.0709(19) Uani 0.351(3) 1 d D U P P 3
F6_61 F 0.9954(5) 0.7876(5) 0.6929(4) 0.0690(19) Uani 0.351(3) 1 d D U P P 3
C4_61 C 0.9928(5) 0.7528(5) 0.5961(5) 0.0561(13) Uani 0.351(3) 1 d D U P P 3
F7_61 F 1.0464(4) 0.7879(5) 0.6299(5) 0.0633(19) Uani 0.351(3) 1 d D U P P 3
F8_61 F 0.9898(5) 0.7036(4) 0.6005(5) 0.0601(17) Uani 0.351(3) 1 d D U P P 3
F9_61 F 0.9910(5) 0.7423(5) 0.5508(5) 0.0631(18) Uani 0.351(3) 1 d D U P P 3
Si1_62 Si 0.23687(5) 0.18145(5) 0.16043(4) 0.0183(2) Uani 0.920(2) 1 d D U P U 1
Al1_62 Al 0.15776(5) 0.23529(6) 0.15286(5) 0.0223(3) Uani 0.920(2) 1 d D U P U 1
Al2_62 Al 0.14464(6) 0.11881(6) 0.08529(6) 0.0224(3) Uani 0.920(2) 1 d D U P U 1
Al3_62 Al 0.21298(6) 0.20436(6) 0.08417(6) 0.0243(3) Uani 0.920(2) 1 d D U P U 1
C1A_62 C 0.0656(2) 0.0597(2) 0.01357(19) 0.0306(7) Uani 0.920(2) 1 d D U P U 1
C2A_62 C 0.0586(2) 0.0608(2) 0.05851(19) 0.0316(7) Uani 0.920(2) 1 d D U P U 1
C3A_62 C 0.1052(2) 0.0398(2) 0.0854(2) 0.0313(7) Uani 0.920(2) 1 d D U P U 1
C4A_62 C 0.1388(2) 0.02524(19) 0.05678(18) 0.0280(7) Uani 0.920(2) 1 d D U P U 1
C5A_62 C 0.11474(19) 0.03693(18) 0.01231(17) 0.0270(7) Uani 0.920(2) 1 d D U P U
1
C10A_62 C 0.1342(3) 0.0198(2) -0.0313(2) 0.0382(11) Uani 0.920(2) 1 d D U P U 1
H10A_62 H 0.176129 0.034592 -0.016245 0.057 Uiso 0.920(2) 1 calc R U P U 1
H10B_62 H 0.114104 0.036174 -0.055378 0.057 Uiso 0.920(2) 1 calc R U P U 1
H10C_62 H 0.125030 -0.022491 -0.050944 0.057 Uiso 0.920(2) 1 calc R U P U 1
C9A_62 C 0.1901(2) -0.0026(2) 0.0681(2) 0.0372(11) Uani 0.920(2) 1 d D U P U 1
H9AA_62 H 0.215644 0.007081 0.053688 0.056 Uiso 0.920(2) 1 calc R U P U 1
H9AB_62 H 0.176307 -0.044766 0.051375 0.056 Uiso 0.920(2) 1 calc R U P U 1
H9AC_62 H 0.211543 0.011705 0.106437 0.056 Uiso 0.920(2) 1 calc R U P U 1
C8A_62 C 0.1155(3) 0.0352(3) 0.1358(2) 0.0436(13) Uani 0.920(2) 1 d D U P U 1
H8AA_62 H 0.095662 0.061090 0.154461 0.065 Uiso 0.920(2) 1 calc R U P U 1
H8AB_62 H 0.157234 0.046297 0.158573 0.065 Uiso 0.920(2) 1 calc R U P U 1
H8AC_62 H 0.100355 -0.004795 0.127200 0.065 Uiso 0.920(2) 1 calc R U P U 1
C7A_62 C 0.0116(2) 0.0800(2) 0.0760(2) 0.0436(12) Uani 0.920(2) 1 d D U P U 1
H7AA_62 H 0.028796 0.103841 0.114462 0.065 Uiso 0.920(2) 1 calc R U P U 1
H7AB_62 H -0.016481 0.045941 0.066487 0.065 Uiso 0.920(2) 1 calc R U P U 1
H7AC_62 H -0.008165 0.102760 0.058344 0.065 Uiso 0.920(2) 1 calc R U P U 1
C6A_62 C 0.0273(2) 0.0796(3) -0.0251(2) 0.0426(13) Uani 0.920(2) 1 d D U P U 1
H6AA_62 H -0.013074 0.059365 -0.039634 0.064 Uiso 0.920(2) 1 calc R U P U 1
H6AB_62 H 0.039348 0.070822 -0.054038 0.064 Uiso 0.920(2) 1 calc R U P U 1
H6AC_62 H 0.030827 0.121400 -0.006930 0.064 Uiso 0.920(2) 1 calc R U P U 1
C1B_62 C 0.1946(2) 0.2430(2) 0.02766(19) 0.0350(8) Uani 0.920(2) 1 d D U P U 1
C2B_62 C 0.2413(2) 0.2791(2) 0.0756(2) 0.0361(8) Uani 0.920(2) 1 d D U P U 1
C3B_62 C 0.2870(2) 0.2499(2) 0.0832(2) 0.0326(8) Uani 0.920(2) 1 d D U P U 1
C4B_62 C 0.2688(2) 0.1949(2) 0.03982(19) 0.0271(7) Uani 0.920(2) 1 d D U P U 1
C5B_62 C 0.2112(2) 0.1897(2) 0.00451(18) 0.0300(7) Uani 0.920(2) 1 d D U P U 1
C10B_62 C 0.1762(2) 0.1400(2) -0.0486(2) 0.0383(10) Uani 0.920(2) 1 d D U P U 1
H10D_62 H 0.135812 0.132227 -0.053672 0.057 Uiso 0.920(2) 1 calc R U P U 1
H10E_62 H 0.191984 0.105582 -0.050579 0.057 Uiso 0.920(2) 1 calc R U P U 1
H10F_62 H 0.177809 0.149569 -0.076264 0.057 Uiso 0.920(2) 1 calc R U P U 1
C9B_62 C 0.3038(2) 0.1488(2) 0.0308(2) 0.0327(10) Uani 0.920(2) 1 d D U P U 1
H9BA_62 H 0.282483 0.112765 0.025555 0.049 Uiso 0.920(2) 1 calc R U P U 1
H9BB_62 H 0.341222 0.161782 0.061742 0.049 Uiso 0.920(2) 1 calc R U P U 1
H9BC_62 H 0.310417 0.141921 -0.000701 0.049 Uiso 0.920(2) 1 calc R U P U 1
C8B_62 C 0.3467(2) 0.2768(2) 0.1291(2) 0.0387(10) Uani 0.920(2) 1 d D U P U 1
H8BA_62 H 0.363155 0.312510 0.130329 0.058 Uiso 0.920(2) 1 calc R U P U 1
H8BB_62 H 0.371996 0.249445 0.124344 0.058 Uiso 0.920(2) 1 calc R U P U 1
H8BC_62 H 0.343328 0.285609 0.162426 0.058 Uiso 0.920(2) 1 calc R U P U 1
C7B_62 C 0.2481(3) 0.3421(2) 0.1126(3) 0.0491(13) Uani 0.920(2) 1 d D U P U 1
H7BA_62 H 0.264227 0.347688 0.149280 0.074 Uiso 0.920(2) 1 calc R U P U 1
H7BB_62 H 0.210180 0.352293 0.103625 0.074 Uiso 0.920(2) 1 calc R U P U 1
H7BC_62 H 0.274417 0.366995 0.108566 0.074 Uiso 0.920(2) 1 calc R U P U 1
C6B_62 C 0.1366(3) 0.2556(3) 0.0036(3) 0.0506(13) Uani 0.920(2) 1 d D U P U 1
H6BA_62 H 0.106263 0.228058 0.000595 0.076 Uiso 0.920(2) 1 calc R U P U 1
H6BB_62 H 0.129486 0.251868 -0.031623 0.076 Uiso 0.920(2) 1 calc R U P U 1
H6BC_62 H 0.136195 0.295127 0.026271 0.076 Uiso 0.920(2) 1 calc R U P U 1
C1C_62 C 0.10950(19) 0.3079(2) 0.15512(19) 0.0305(7) Uani 0.920(2) 1 d D U P U 1
C2C_62 C 0.1612(2) 0.3298(2) 0.20308(19) 0.0321(8) Uani 0.920(2) 1 d D U P U 1
C3C_62 C 0.1585(2) 0.2963(2) 0.22933(18) 0.0330(8) Uani 0.920(2) 1 d D U P U 1
C4C_62 C 0.1057(2) 0.2544(2) 0.19873(18) 0.0308(7) Uani 0.920(2) 1 d D U P U 1
C5C_62 C 0.07527(18) 0.2611(2) 0.15281(18) 0.0288(7) Uani 0.920(2) 1 d D U P U 1
C10C_62 C 0.0152(2) 0.2296(3) 0.1104(2) 0.0379(11) Uani 0.920(2) 1 d D U P U 1
H10G_62 H -0.009089 0.257679 0.107812 0.057 Uiso 0.920(2) 1 calc R U P U 1
H10H_62 H -0.001553 0.202443 0.119253 0.057 Uiso 0.920(2) 1 calc R U P U 1
H10I_62 H 0.017191 0.208284 0.076305 0.057 Uiso 0.920(2) 1 calc R U P U 1
C9C_62 C 0.0835(3) 0.2134(2) 0.2156(2) 0.0431(11) Uani 0.920(2) 1 d D U P U 1
H9CA_62 H 0.108902 0.186243 0.218056 0.065 Uiso 0.920(2) 1 calc R U P U 1
H9CB_62 H 0.044021 0.191803 0.189379 0.065 Uiso 0.920(2) 1 calc R U P U 1
H9CC_62 H 0.083161 0.235669 0.250220 0.065 Uiso 0.920(2) 1 calc R U P U 1
C8C_62 C 0.2029(3) 0.3081(3) 0.2834(2) 0.0474(13) Uani 0.920(2) 1 d D U P U 1
H8CA_62 H 0.191523 0.279535 0.293746 0.071 Uiso 0.920(2) 1 calc R U P U 1
H8CB_62 H 0.205283 0.347089 0.309185 0.071 Uiso 0.920(2) 1 calc R U P U 1
H8CC_62 H 0.240827 0.305360 0.282559 0.071 Uiso 0.920(2) 1 calc R U P U 1
C7C_62 C 0.2092(2) 0.3810(2) 0.2241(3) 0.0463(12) Uani 0.920(2) 1 d D U P U 1
H7CA_62 H 0.202371 0.395351 0.197468 0.069 Uiso 0.920(2) 1 calc R U P U 1
H7CB_62 H 0.246418 0.369198 0.231835 0.069 Uiso 0.920(2) 1 calc R U P U 1
H7CC_62 H 0.210153 0.411707 0.256566 0.069 Uiso 0.920(2) 1 calc R U P U 1
C6C_62 C 0.0908(2) 0.3313(3) 0.1148(2) 0.0424(11) Uani 0.920(2) 1 d D U P U 1
H6CA_62 H 0.124462 0.356336 0.119544 0.064 Uiso 0.920(2) 1 calc R U P U 1
H6CB_62 H 0.061588 0.353800 0.119662 0.064 Uiso 0.920(2) 1 calc R U P U 1
H6CC_62 H 0.074208 0.299088 0.079043 0.064 Uiso 0.920(2) 1 calc R U P U 1
C5D_62 C 0.3357(2) 0.1439(2) 0.18924(19) 0.0302(8) Uani 0.920(2) 1 d D U P U 1
C6D_62 C 0.3373(2) 0.2426(2) 0.26009(19) 0.0319(9) Uani 0.920(2) 1 d D U P U 1
H6DA_62 H 0.313412 0.260950 0.278141 0.048 Uiso 0.920(2) 1 calc R U P U 1
H6DB_62 H 0.345824 0.264929 0.242995 0.048 Uiso 0.920(2) 1 calc R U P U 1
H6DC_62 H 0.373753 0.241385 0.285994 0.048 Uiso 0.920(2) 1 calc R U P U 1
C7D_62 C 0.2456(2) 0.1625(2) 0.2677(2) 0.0379(10) Uani 0.920(2) 1 d D U P U 1
H7DA_62 H 0.218585 0.184507 0.254838 0.057 Uiso 0.920(2) 1 calc R U P U 1
H7DB_62 H 0.272811 0.187107 0.304631 0.057 Uiso 0.920(2) 1 calc R U P U 1
H7DC_62 H 0.223820 0.128638 0.265503 0.057 Uiso 0.920(2) 1 calc R U P U 1
C8D_62 C 0.2709(3) 0.0365(2) 0.2187(2) 0.0429(12) Uani 0.920(2) 1 d D U P U 1
H8DA_62 H 0.256228 0.002453 0.184060 0.064 Uiso 0.920(2) 1 calc R U P U 1
H8DB_62 H 0.240226 0.042134 0.231215 0.064 Uiso 0.920(2) 1 calc R U P U 1
H8DC_62 H 0.304220 0.030452 0.244067 0.064 Uiso 0.920(2) 1 calc R U P U 1
C9D_62 C 0.3456(3) 0.0384(3) 0.1567(2) 0.0493(13) Uani 0.920(2) 1 d D U P U 1
H9DA_62 H 0.314768 0.003340 0.138395 0.074 Uiso 0.920(2) 1 calc R U P U 1
H9DB_62 H 0.379774 0.033862 0.182513 0.074 Uiso 0.920(2) 1 calc R U P U 1
H9DC_62 H 0.355931 0.044449 0.130767 0.074 Uiso 0.920(2) 1 calc R U P U 1
C10D_62 C 0.3739(3) 0.1647(3) 0.1698(3) 0.0430(13) Uani 0.920(2) 1 d D U P U 1
H10J_62 H 0.353016 0.183910 0.148759 0.064 Uiso 0.920(2) 1 calc R U P U 1
H10K_62 H 0.384976 0.131642 0.147668 0.064 Uiso 0.920(2) 1 calc R U P U 1
H10L_62 H 0.408814 0.192114 0.200055 0.064 Uiso 0.920(2) 1 calc R U P U 1
C1D_62 C 0.30451(18) 0.1806(2) 0.21798(18) 0.0262(7) Uani 0.920(2) 1 d D U P U 1
C2D_62 C 0.27858(19) 0.1428(2) 0.23428(18) 0.0282(7) Uani 0.920(2) 1 d D U P U 1
C3D_62 C 0.2894(2) 0.0896(2) 0.21351(19) 0.0310(8) Uani 0.920(2) 1 d D U P U 1
C4D_62 C 0.3246(2) 0.0902(2) 0.18518(19) 0.0324(8) Uani 0.920(2) 1 d D U P U 1
O1_11 O 0.8493(11) 0.9860(13) 0.6411(14) 0.043(4) Uani 0.159(4) 1 d D U P P 2
C1_11 C 0.7977(9) 0.9678(7) 0.6399(7) 0.052(3) Uani 0.159(4) 1 d D U P P 2
C2_11 C 0.7496(9) 0.9628(9) 0.5883(7) 0.056(3) Uani 0.159(4) 1 d D U P P 2
F1_11 F 0.7416(9) 0.9127(9) 0.5474(7) 0.062(4) Uani 0.159(4) 1 d D U P P 2
F2_11 F 0.6993(12) 0.9680(18) 0.5911(16) 0.061(5) Uani 0.159(4) 1 d D U P P 2
F3_11 F 0.7639(9) 1.0052(9) 0.5778(9) 0.062(4) Uani 0.159(4) 1 d D U P P 2
C3_11 C 0.7910(9) 1.0147(8) 0.6879(7) 0.061(3) Uani 0.159(4) 1 d D U P P 2
F4_11 F 0.8391(9) 1.0291(12) 0.7318(8) 0.069(4) Uani 0.159(4) 1 d D U P P 2
F5_11 F 0.7836(10) 1.0616(8) 0.6802(9) 0.071(4) Uani 0.159(4) 1 d D U P P 2
F6_11 F 0.7443(10) 0.9948(12) 0.6912(11) 0.062(5) Uani 0.159(4) 1 d D U P P 2
C4_11 C 0.7946(10) 0.9103(8) 0.6437(8) 0.066(3) Uani 0.159(4) 1 d D U P P 2
F7_11 F 0.8297(10) 0.9192(11) 0.6926(8) 0.075(5) Uani 0.159(4) 1 d D U P P 2
F8_11 F 0.7412(9) 0.8833(11) 0.6305(11) 0.072(5) Uani 0.159(4) 1 d D U P P 2
F9_11 F 0.8111(11) 0.8714(9) 0.6098(10) 0.075(4) Uani 0.159(4) 1 d D U P P 2
O1_12 O 0.1486(11) 0.7681(9) 0.1021(11) 0.037(4) Uani 0.230(8) 1 d D U P S 2
C1_12 C 0.1494(6) 0.8163(7) 0.0948(6) 0.041(2) Uani 0.230(8) 1 d D U P S 2
C2_12 C 0.0872(7) 0.8204(9) 0.0632(7) 0.046(3) Uani 0.230(8) 1 d D U P S 2
F1_12 F 0.0584(9) 0.7695(8) 0.0218(7) 0.046(4) Uani 0.230(8) 1 d D U P S 2
F2_12 F 0.0894(9) 0.8581(9) 0.0433(9) 0.051(4) Uani 0.230(8) 1 d D U P S 2
F3_12 F 0.0618(10) 0.8397(11) 0.0966(8) 0.052(4) Uani 0.230(8) 1 d D U P S 2
C3_12 C 0.1754(7) 0.8700(7) 0.1498(6) 0.047(3) Uani 0.230(8) 1 d D U P S 2
F4_12 F 0.2331(6) 0.8745(7) 0.1713(7) 0.057(3) Uani 0.230(8) 1 d D U P S 2
F5_12 F 0.1516(8) 0.8638(7) 0.1805(6) 0.046(3) Uani 0.230(8) 1 d D U P S 2
F6_12 F 0.1603(12) 0.9161(8) 0.1425(8) 0.051(4) Uani 0.230(8) 1 d D U P S 2
C4_12 C 0.1873(7) 0.8173(7) 0.0651(7) 0.051(3) Uani 0.230(8) 1 d D U P S 2
F7_12 F 0.2349(6) 0.7982(7) 0.0837(8) 0.060(3) Uani 0.230(8) 1 d D U P S 2
F8_12 F 0.2075(8) 0.8717(6) 0.0755(8) 0.060(3) Uani 0.230(8) 1 d D U P S 2
F9_12 F 0.1540(8) 0.7842(6) 0.0132(6) 0.048(3) Uani 0.230(8) 1 d D U P S 2
O1_13 O 0.6226(12) 0.6560(8) 0.3930(10) 0.044(5) Uani 0.179(4) 1 d D U P Q 2
C1_13 C 0.6209(7) 0.7119(8) 0.4050(7) 0.064(3) Uani 0.179(4) 1 d D U P Q 2
C2_13 C 0.6795(8) 0.7513(8) 0.4523(8) 0.078(4) Uani 0.179(4) 1 d D U P Q 2
F1_13 F 0.7182(9) 0.7471(10) 0.4322(10) 0.088(5) Uani 0.179(4) 1 d D U P Q 2
F2_13 F 0.6756(11) 0.8054(8) 0.4771(10) 0.080(5) Uani 0.179(4) 1 d D U P Q 2
F3_13 F 0.6946(12) 0.7319(11) 0.4891(10) 0.087(5) Uani 0.179(4) 1 d D U P Q 2
C3_13 C 0.5707(8) 0.7327(9) 0.4177(8) 0.071(3) Uani 0.179(4) 1 d D U P Q 2
F4_13 F 0.5209(9) 0.6934(10) 0.3847(10) 0.082(5) Uani 0.179(4) 1 d D U P Q 2
F5_13 F 0.5779(11) 0.7426(11) 0.4662(8) 0.092(5) Uani 0.179(4) 1 d D U P Q 2
F6_13 F 0.5655(12) 0.7844(9) 0.4195(11) 0.066(5) Uani 0.179(4) 1 d D U P Q 2
C4_13 C 0.6220(9) 0.7231(8) 0.3586(7) 0.073(3) Uani 0.179(4) 1 d D U P Q 2
F7_13 F 0.5707(9) 0.7073(10) 0.3188(8) 0.084(5) Uani 0.179(4) 1 d D U P Q 2
F8_13 F 0.6476(10) 0.7802(7) 0.3833(10) 0.068(4) Uani 0.179(4) 1 d D U P Q 2
F9_13 F 0.6542(11) 0.6914(10) 0.3378(10) 0.081(4) Uani 0.179(4) 1 d D U P Q 2
Si1_10 Si 0.1725(5) 0.2077(5) 0.1506(5) 0.0259(18) Uani 0.080(2) 1 d D U P U 2
Al1_10 Al 0.2517(5) 0.1554(5) 0.1695(4) 0.0270(13) Uani 0.080(2) 1 d D U P U 2
Al2_10 Al 0.2273(6) 0.1965(6) 0.0957(5) 0.0328(14) Uani 0.080(2) 1 d D U P U 2
Al3_10 Al 0.1497(6) 0.1085(6) 0.0788(5) 0.0271(14) Uani 0.080(2) 1 d D U P U 2
C1A_10 C 0.2703(11) 0.1960(12) 0.0411(9) 0.0353(16) Uani 0.080(2) 1 d D U P U 2
C2A_10 C 0.2959(10) 0.2507(11) 0.0848(11) 0.0368(16) Uani 0.080(2) 1 d D U P U 2
C3A_10 C 0.2526(11) 0.2800(9) 0.0926(10) 0.0379(16) Uani 0.080(2) 1 d D U P U 2
C4A_10 C 0.2007(10) 0.2437(10) 0.0515(9) 0.0367(15) Uani 0.080(2) 1 d D U P U 2
C5A_10 C 0.2104(11) 0.1910(11) 0.0193(7) 0.0352(16) Uani 0.080(2) 1 d D U P U 2
C10A_10 C 0.1686(18) 0.1379(15) -0.0285(9) 0.039(3) Uani 0.080(2) 1 d D U P U 2
H10A_10 H 0.128898 0.143755 -0.036992 0.058 Uiso 0.080(2) 1 calc R U P U 2
H10B_10 H 0.177750 0.130886 -0.058765 0.058 Uiso 0.080(2) 1 calc R U P U 2
H10C_10 H 0.171827 0.104384 -0.020880 0.058 Uiso 0.080(2) 1 calc R U P U 2
C9A_10 C 0.1402(13) 0.2535(19) 0.0451(16) 0.040(3) Uani 0.080(2) 1 d D U P U 2
H9AA_10 H 0.115145 0.240597 0.007501 0.060 Uiso 0.080(2) 1 calc R U P U 2
H9AB_10 H 0.142554 0.294820 0.065002 0.060 Uiso 0.080(2) 1 calc R U P U 2
H9AC_10 H 0.123969 0.231392 0.058680 0.060 Uiso 0.080(2) 1 calc R U P U 2
C8A_10 C 0.262(2) 0.3396(9) 0.1358(14) 0.041(4) Uani 0.080(2) 1 d D U P U 2
H8AA_10 H 0.284388 0.368112 0.132335 0.061 Uiso 0.080(2) 1 calc R U P U 2
H8AB_10 H 0.282395 0.340339 0.170486 0.061 Uiso 0.080(2) 1 calc R U P U 2
H8AC_10 H 0.223870 0.349040 0.132531 0.061 Uiso 0.080(2) 1 calc R U P U 2
C7A_10 C 0.3598(11) 0.277(2) 0.1178(17) 0.0387(10) Uani 0.080(2) 1 d D U P U 2
H7AA_10 H 0.381775 0.246878 0.111489 0.058 Uiso 0.080(2) 1 calc R U P U 2
H7AB_10 H 0.367559 0.295889 0.155435 0.058 Uiso 0.080(2) 1 calc R U P U 2
H7AC_10 H 0.371530 0.306110 0.108006 0.058 Uiso 0.080(2) 1 calc R U P U 2
C6A_10 C 0.301(2) 0.152(2) 0.0173(17) 0.035(4) Uani 0.080(2) 1 d D U P U 2
H6AA_10 H 0.343227 0.167261 0.037477 0.053 Uiso 0.080(2) 1 calc R U P U 2
H6AB_10 H 0.290184 0.144606 -0.019609 0.053 Uiso 0.080(2) 1 calc R U P U 2
H6AC_10 H 0.290358 0.116078 0.018543 0.053 Uiso 0.080(2) 1 calc R U P U 2
C1B_10 C 0.1293(10) 0.0116(7) 0.0461(9) 0.0282(17) Uani 0.080(2) 1 d D U P U 2
C2B_10 C 0.1088(10) 0.0400(9) 0.0847(10) 0.0287(16) Uani 0.080(2) 1 d D U P U 2
C3B_10 C 0.0659(8) 0.0686(10) 0.0660(10) 0.0279(16) Uani 0.080(2) 1 d D U P U 2
C4B_10 C 0.0588(7) 0.0568(10) 0.0148(9) 0.0285(17) Uani 0.080(2) 1 d D U P U 2
C5B_10 C 0.0974(10) 0.0221(8) 0.0025(8) 0.0285(17) Uani 0.080(2) 1 d D U P U 2
C10B_10 C 0.1022(18) -0.0063(14) -0.0497(10) 0.034(3) Uani 0.080(2) 1 d D U P U
2
H10D_10 H 0.143081 -0.004353 -0.043069 0.051 Uiso 0.080(2) 1 calc R U P U 2
H10E_10 H 0.085306 0.013920 -0.071086 0.051 Uiso 0.080(2) 1 calc R U P U 2
H10F_10 H 0.081156 -0.046923 -0.068854 0.051 Uiso 0.080(2) 1 calc R U P U 2
C9B_10 C 0.0131(11) 0.0773(19) -0.0189(16) 0.027(3) Uani 0.080(2) 1 d D U P U 2
H9BA_10 H 0.029948 0.115268 -0.013713 0.041 Uiso 0.080(2) 1 calc R U P U 2
H9BB_10 H -0.019321 0.080469 -0.008674 0.041 Uiso 0.080(2) 1 calc R U P U 2
H9BC_10 H -0.000963 0.049477 -0.056351 0.041 Uiso 0.080(2) 1 calc R U P U 2
C8B_10 C 0.0313(14) 0.1043(16) 0.0927(17) 0.031(3) Uani 0.080(2) 1 d D U P U 2
H8BA_10 H 0.022052 0.087463 0.113387 0.046 Uiso 0.080(2) 1 calc R U P U 2
H8BB_10 H -0.004705 0.104607 0.065710 0.046 Uiso 0.080(2) 1 calc R U P U 2
H8BC_10 H 0.054172 0.144089 0.116239 0.046 Uiso 0.080(2) 1 calc R U P U 2
C7B_10 C 0.1313(19) 0.0444(18) 0.1404(13) 0.029(3) Uani 0.080(2) 1 d D U P U 2
H7BA_10 H 0.158527 0.081792 0.165681 0.044 Uiso 0.080(2) 1 calc R U P U 2
H7BB_10 H 0.151201 0.012995 0.141592 0.044 Uiso 0.080(2) 1 calc R U P U 2
H7BC_10 H 0.098710 0.041309 0.149668 0.044 Uiso 0.080(2) 1 calc R U P U 2
C6B_10 C 0.1757(15) -0.0234(12) 0.0506(18) 0.029(3) Uani 0.080(2) 1 d D U P U 2
H6BA_10 H 0.204620 -0.009964 0.041063 0.044 Uiso 0.080(2) 1 calc R U P U 2
H6BB_10 H 0.157877 -0.064412 0.026442 0.044 Uiso 0.080(2) 1 calc R U P U 2
H6BC_10 H 0.194533 -0.018316 0.087043 0.044 Uiso 0.080(2) 1 calc R U P U 2
C1C_10 C 0.3264(9) 0.1085(10) 0.1975(10) 0.0301(16) Uani 0.080(2) 1 d D U P U 2
C2C_10 C 0.2938(10) 0.1127(10) 0.2270(9) 0.0298(16) Uani 0.080(2) 1 d D U P U 2
C3C_10 C 0.2927(9) 0.1706(10) 0.2528(6) 0.0294(16) Uani 0.080(2) 1 d D U P U 2
C4C_10 C 0.3259(8) 0.2017(10) 0.2398(7) 0.0298(16) Uani 0.080(2) 1 d D U P U 2
C5C_10 C 0.3460(7) 0.1634(11) 0.2043(9) 0.0300(16) Uani 0.080(2) 1 d D U P U 2
C10C_10 C 0.3820(12) 0.182(2) 0.1811(16) 0.031(3) Uani 0.080(2) 1 d D U P U 2
H10G_10 H 0.392294 0.224748 0.197293 0.046 Uiso 0.080(2) 1 calc R U P U 2
H10H_10 H 0.359529 0.167140 0.142707 0.046 Uiso 0.080(2) 1 calc R U P U 2
H10I_10 H 0.417417 0.167415 0.188159 0.046 Uiso 0.080(2) 1 calc R U P U 2
C9C_10 C 0.3350(15) 0.2665(10) 0.2568(14) 0.032(3) Uani 0.080(2) 1 d D U P U 2
H9CA_10 H 0.357666 0.276993 0.240405 0.048 Uiso 0.080(2) 1 calc R U P U 2
H9CB_10 H 0.355843 0.287492 0.295416 0.048 Uiso 0.080(2) 1 calc R U P U 2
H9CC_10 H 0.297229 0.276718 0.245376 0.048 Uiso 0.080(2) 1 calc R U P U 2
C8C_10 C 0.2645(15) 0.1938(19) 0.2904(10) 0.031(3) Uani 0.080(2) 1 d D U P U 2
H8CA_10 H 0.277672 0.236079 0.309933 0.047 Uiso 0.080(2) 1 calc R U P U 2
H8CB_10 H 0.275318 0.177055 0.315501 0.047 Uiso 0.080(2) 1 calc R U P U 2
H8CC_10 H 0.222263 0.183488 0.270331 0.047 Uiso 0.080(2) 1 calc R U P U 2
C7C_10 C 0.2720(17) 0.0626(15) 0.2343(16) 0.033(3) Uani 0.080(2) 1 d D U P U 2
H7CA_10 H 0.275640 0.026340 0.208995 0.050 Uiso 0.080(2) 1 calc R U P U 2
H7CB_10 H 0.231149 0.060665 0.228011 0.050 Uiso 0.080(2) 1 calc R U P U 2
H7CC_10 H 0.294971 0.068249 0.270483 0.050 Uiso 0.080(2) 1 calc R U P U 2
C6C_10 C 0.3451(16) 0.0549(15) 0.1697(16) 0.034(3) Uani 0.080(2) 1 d D U P U 2
H6CA_10 H 0.321611 0.038443 0.131372 0.052 Uiso 0.080(2) 1 calc R U P U 2
H6CB_10 H 0.339646 0.026349 0.182204 0.052 Uiso 0.080(2) 1 calc R U P U 2
H6CC_10 H 0.386094 0.065039 0.177422 0.052 Uiso 0.080(2) 1 calc R U P U 2
C5D_10 C 0.0903(12) 0.2721(14) 0.1412(14) 0.0320(19) Uani 0.080(2) 1 d D U P U 2
C6D_10 C 0.0983(18) 0.234(2) 0.2069(17) 0.033(3) Uani 0.080(2) 1 d D U P U 2
H6DA_10 H 0.076144 0.260851 0.220781 0.050 Uiso 0.080(2) 1 calc R U P U 2
H6DB_10 H 0.126446 0.227491 0.235707 0.050 Uiso 0.080(2) 1 calc R U P U 2
H6DC_10 H 0.071678 0.196628 0.179311 0.050 Uiso 0.080(2) 1 calc R U P U 2
C7D_10 C 0.218(2) 0.325(2) 0.2759(15) 0.033(6) Uani 0.080(2) 1 d D U P U 2
H7DA_10 H 0.209541 0.293994 0.284440 0.050 Uiso 0.080(2) 1 calc R U P U 2
H7DB_10 H 0.217777 0.362221 0.302599 0.050 Uiso 0.080(2) 1 calc R U P U 2
H7DC_10 H 0.256583 0.326833 0.275573 0.050 Uiso 0.080(2) 1 calc R U P U 2
C8D_10 C 0.201(2) 0.4107(14) 0.223(2) 0.032(6) Uani 0.080(2) 1 d D U P U 2
H8DA_10 H 0.179711 0.430257 0.202599 0.049 Uiso 0.080(2) 1 calc R U P U 2
H8DB_10 H 0.239772 0.411201 0.222523 0.049 Uiso 0.080(2) 1 calc R U P U 2
H8DC_10 H 0.205961 0.430842 0.259581 0.049 Uiso 0.080(2) 1 calc R U P U 2
C9D_10 C 0.106(3) 0.344(3) 0.106(2) 0.0424(11) Uani 0.080(2) 1 d D U P U 2
H9DA_10 H 0.141982 0.353932 0.104156 0.064 Uiso 0.080(2) 1 calc R U P U 2
H9DB_10 H 0.090030 0.379030 0.116695 0.064 Uiso 0.080(2) 1 calc R U P U 2
H9DC_10 H 0.077598 0.314412 0.071896 0.064 Uiso 0.080(2) 1 calc R U P U 2
C10D_10 C 0.0308(17) 0.236(2) 0.101(2) 0.037(6) Uani 0.080(2) 1 d D U P U 2
H10J_10 H 0.018095 0.209568 0.112715 0.055 Uiso 0.080(2) 1 calc R U P U 2
H10K_10 H 0.031926 0.213767 0.066774 0.055 Uiso 0.080(2) 1 calc R U P U 2
H10L_10 H 0.003626 0.261514 0.097447 0.055 Uiso 0.080(2) 1 calc R U P U 2
C1D_10 C 0.1301(10) 0.2585(10) 0.1834(10) 0.0311(15) Uani 0.080(2) 1 d D U P U 2
C2D_10 C 0.1733(15) 0.3138(12) 0.2223(11) 0.031(2) Uani 0.080(2) 1 d D U P U 2
C3D_10 C 0.1686(18) 0.3483(15) 0.1982(14) 0.032(3) Uani 0.080(2) 1 d D U P U 2
C4D_10 C 0.1174(17) 0.3219(16) 0.1476(14) 0.031(2) Uani 0.080(2) 1 d D U P U 2
O1_63 O 0.9190(7) 1.0542(5) 0.6473(6) 0.0562(18) Uani 0.319(4) 1 d D U P P 4
C1_63 C 0.9377(5) 1.1095(6) 0.6573(5) 0.0659(13) Uani 0.319(4) 1 d D U P P 4
C2_63 C 1.0020(6) 1.1293(6) 0.6720(6) 0.0726(16) Uani 0.319(4) 1 d D U P P 4
F1_63 F 1.0319(6) 1.1595(6) 0.7247(5) 0.078(2) Uani 0.319(4) 1 d D U P P 4
F2_63 F 1.0099(7) 1.1717(6) 0.6577(6) 0.072(2) Uani 0.319(4) 1 d D U P P 4
F3_63 F 1.0214(7) 1.0829(6) 0.6454(6) 0.087(2) Uani 0.319(4) 1 d D U P P 4
C3_63 C 0.9006(6) 1.1162(6) 0.6063(5) 0.0730(15) Uani 0.319(4) 1 d D U P P 4
F4_63 F 0.8482(5) 1.0826(5) 0.5777(5) 0.075(2) Uani 0.319(4) 1 d D U P P 4
F5_63 F 0.9279(7) 1.0993(6) 0.5742(5) 0.088(2) Uani 0.319(4) 1 d D U P P 4
F6_63 F 0.8922(6) 1.1711(5) 0.6201(6) 0.072(2) Uani 0.319(4) 1 d D U P P 4
C4_63 C 0.9086(7) 1.1478(6) 0.6935(5) 0.0717(15) Uani 0.319(4) 1 d D U P P 4
F7_63 F 0.8570(6) 1.1400(6) 0.6518(6) 0.078(2) Uani 0.319(4) 1 d D U P P 4
F8_63 F 0.9358(6) 1.2038(4) 0.7203(5) 0.078(2) Uani 0.319(4) 1 d D U P P 4
F9_63 F 0.9108(7) 1.1308(5) 0.7295(5) 0.073(2) Uani 0.319(4) 1 d D U P P 4
O1_64 O 1.0359(8) 0.9190(10) 0.6065(10) 0.043(4) Uani 0.205(4) 1 d D U P P 3
C1_64 C 1.0881(7) 0.9135(6) 0.6048(6) 0.049(2) Uani 0.205(4) 1 d D U P P 3
C2_64 C 1.0801(7) 0.8899(7) 0.5468(6) 0.054(3) Uani 0.205(4) 1 d D U P P 3
F1_64 F 1.0649(9) 0.9321(8) 0.5305(8) 0.070(4) Uani 0.205(4) 1 d D U P P 3
F2_64 F 1.1286(8) 0.8804(10) 0.5412(11) 0.058(4) Uani 0.205(4) 1 d D U P P 3
F3_64 F 1.0384(6) 0.8422(6) 0.5176(6) 0.037(3) Uani 0.205(4) 1 d D U P P 3
C3_64 C 1.1162(7) 0.8761(7) 0.6324(6) 0.056(3) Uani 0.205(4) 1 d D U P P 3
F4_64 F 1.1102(8) 0.8918(8) 0.6774(6) 0.061(4) Uani 0.205(4) 1 d D U P P 3
F5_64 F 1.0934(8) 0.8200(6) 0.6019(7) 0.065(4) Uani 0.205(4) 1 d D U P P 3
F6_64 F 1.1731(6) 0.8834(9) 0.6463(7) 0.066(4) Uani 0.205(4) 1 d D U P P 3
C4_64 C 1.1286(7) 0.9748(7) 0.6367(7) 0.059(3) Uani 0.205(4) 1 d D U P P 3
F7_64 F 1.1475(8) 0.9903(9) 0.6887(6) 0.058(4) Uani 0.205(4) 1 d D U P P 3
F8_64 F 1.1730(7) 0.9747(8) 0.6232(8) 0.069(4) Uani 0.205(4) 1 d D U P P 3
F9_64 F 1.0988(7) 1.0114(7) 0.6230(8) 0.067(3) Uani 0.205(4) 1 d D U P P 3
O1_65 O 1.2668(13) 0.9047(9) 0.8572(13) 0.029(3) Uani 0.349(7) 1 d D U P N 3
C1_65 C 1.2857(5) 0.9549(6) 0.8573(5) 0.0316(18) Uani 0.349(7) 1 d D U P N 3
C2_65 C 1.2884(5) 1.0072(6) 0.9071(5) 0.038(2) Uani 0.349(7) 1 d D U P N 3
F1_65 F 1.3350(6) 1.0168(5) 0.9510(4) 0.049(2) Uani 0.349(7) 1 d D U P N 3
F2_65 F 1.2875(7) 1.0558(6) 0.9013(7) 0.043(3) Uani 0.349(7) 1 d D U P N 3
F3_65 F 1.2405(5) 0.9992(4) 0.9142(4) 0.044(2) Uani 0.349(7) 1 d D U P N 3
C3_65 C 1.2432(6) 0.9590(6) 0.8074(5) 0.038(2) Uani 0.349(7) 1 d D U P N 3
F4_65 F 1.2285(5) 0.9085(4) 0.7644(4) 0.044(2) Uani 0.349(7) 1 d D U P N 3
F5_65 F 1.1948(4) 0.9700(6) 0.8116(4) 0.048(2) Uani 0.349(7) 1 d D U P N 3
F6_65 F 1.2647(5) 1.0001(5) 0.7983(5) 0.045(2) Uani 0.349(7) 1 d D U P N 3
C4_65 C 1.3466(6) 0.9574(6) 0.8573(5) 0.035(2) Uani 0.349(7) 1 d D U P N 3
F7_65 F 1.3439(4) 0.9232(4) 0.8098(4) 0.043(2) Uani 0.349(7) 1 d D U P N 3
F8_65 F 1.3732(5) 1.0104(5) 0.8709(5) 0.043(2) Uani 0.349(7) 1 d D U P N 3
F9_65 F 1.3813(4) 0.9405(5) 0.8915(4) 0.043(2) Uani 0.349(7) 1 d D U P N 3
O1_66 O 0.4874(10) 0.4842(8) 0.2718(7) 0.063(2) Uani 0.313(4) 1 d D U P R 3
C1_66 C 0.4872(5) 0.4869(5) 0.2279(6) 0.0671(13) Uani 0.313(4) 1 d D U P R 3
C2_66 C 0.5171(6) 0.5489(6) 0.2433(6) 0.0701(16) Uani 0.313(4) 1 d D U P R 3
F1_66 F 0.4986(5) 0.5869(5) 0.2766(5) 0.063(2) Uani 0.313(4) 1 d D U P R 3
F2_66 F 0.5026(7) 0.5610(6) 0.2023(6) 0.078(2) Uani 0.313(4) 1 d D U P R 3
F3_66 F 0.5746(5) 0.5622(6) 0.2690(6) 0.076(2) Uani 0.313(4) 1 d D U P R 3
C3_66 C 0.5151(6) 0.4410(6) 0.1994(6) 0.0735(16) Uani 0.313(4) 1 d D U P R 3
F4_66 F 0.4830(7) 0.3874(5) 0.1735(6) 0.083(2) Uani 0.313(4) 1 d D U P R 3
F5_66 F 0.5649(6) 0.4394(7) 0.2317(6) 0.076(2) Uani 0.313(4) 1 d D U P R 3
F6_66 F 0.5135(7) 0.4425(7) 0.1559(5) 0.080(2) Uani 0.313(4) 1 d D U P R 3
C4_66 C 0.4225(6) 0.4723(7) 0.1913(6) 0.0767(16) Uani 0.313(4) 1 d D U P R 3
F7_66 F 0.3881(6) 0.4278(6) 0.1838(6) 0.084(2) Uani 0.313(4) 1 d D U P R 3
F8_66 F 0.4160(6) 0.4553(7) 0.1422(5) 0.091(2) Uani 0.313(4) 1 d D U P R 3
F9_66 F 0.3970(6) 0.5145(6) 0.2103(5) 0.074(2) Uani 0.313(4) 1 d D U P R 3
O1_67 O 0.9271(11) 0.8688(15) 0.5229(10) 0.045(2) Uani 0.248(4) 1 d D U P P 3
C1_67 C 0.8804(7) 0.8623(6) 0.4799(6) 0.0476(12) Uani 0.248(4) 1 d D U P P 3
C2_67 C 0.8757(6) 0.9237(6) 0.4831(6) 0.0536(15) Uani 0.248(4) 1 d D U P P 3
F1_67 F 0.8599(7) 0.9548(7) 0.5233(6) 0.054(2) Uani 0.248(4) 1 d D U P P 3
F2_67 F 0.8435(6) 0.9162(7) 0.4330(5) 0.057(2) Uani 0.248(4) 1 d D U P P 3
F3_67 F 0.9280(5) 0.9516(6) 0.4965(6) 0.055(2) Uani 0.248(4) 1 d D U P P 3
C3_67 C 0.8839(6) 0.8206(6) 0.4286(6) 0.0523(15) Uani 0.248(4) 1 d D U P P 3
F4_67 F 0.8985(6) 0.7718(5) 0.4306(4) 0.0441(19) Uani 0.248(4) 1 d D U P P 3
F5_67 F 0.9338(5) 0.8393(7) 0.4258(6) 0.055(2) Uani 0.248(4) 1 d D U P P 3
F6_67 F 0.8272(5) 0.7993(6) 0.3907(5) 0.059(2) Uani 0.248(4) 1 d D U P P 3
C4_67 C 0.8247(6) 0.8394(6) 0.4825(6) 0.0527(15) Uani 0.248(4) 1 d D U P P 3
F7_67 F 0.8165(6) 0.7818(5) 0.4640(6) 0.059(2) Uani 0.248(4) 1 d D U P P 3
F8_67 F 0.7789(6) 0.8594(8) 0.4610(6) 0.054(2) Uani 0.248(4) 1 d D U P P 3
F9_67 F 0.8352(7) 0.8606(8) 0.5345(5) 0.050(2) Uani 0.248(4) 1 d D U P P 3
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 '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
C1_14 Si2 Al6 137.81(13) . . ?
C1_14 Si2 Al4 133.32(13) . . ?
Al6 Si2 Al4 70.56(5) . . ?
C1_14 Si2 Al5 146.01(13) . . ?
Al6 Si2 Al5 68.46(5) . . ?
Al4 Si2 Al5 67.72(5) . . ?
C1_15 Si3 Al8 140.40(13) . . ?
C1_15 Si3 Al7 133.23(14) . . ?
Al8 Si3 Al7 69.73(5) . . ?
C1_15 Si3 Al9 144.56(14) . . ?
Al8 Si3 Al9 67.34(5) . . ?
Al7 Si3 Al9 68.12(5) . . ?
C1_16 Si4 Al12 133.20(13) . . ?
C1_16 Si4 Al10 139.87(13) . . ?
Al12 Si4 Al10 68.90(5) . . ?
C1_16 Si4 Al11 145.09(13) . . ?
Al12 Si4 Al11 68.77(5) . . ?
Al10 Si4 Al11 67.41(5) . . ?
C4_7 Al4 C3_7 37.49(15) . . ?
C4_7 Al4 C5_7 37.60(15) . . ?
C3_7 Al4 C5_7 62.22(16) . . ?
C4_7 Al4 C2_7 62.36(15) . . ?
C3_7 Al4 C2_7 37.09(15) . . ?
C5_7 Al4 C2_7 61.80(15) . . ?
C4_7 Al4 C1_7 62.52(15) . . ?
C3_7 Al4 C1_7 61.87(15) . . ?
C5_7 Al4 C1_7 37.19(14) . . ?
C2_7 Al4 C1_7 36.68(15) . . ?
C4_7 Al4 Si2 163.35(13) . . ?
C3_7 Al4 Si2 131.34(13) . . ?
C5_7 Al4 Si2 158.71(12) . . ?
C2_7 Al4 Si2 117.04(12) . . ?
C1_7 Al4 Si2 128.19(12) . . ?
C4_7 Al4 Al5 132.24(13) . . ?
C3_7 Al4 Al5 168.75(13) . . ?
C5_7 Al4 Al5 112.60(12) . . ?
C2_7 Al4 Al5 151.37(12) . . ?
C1_7 Al4 Al5 120.91(12) . . ?
Si2 Al4 Al5 57.03(5) . . ?
C4_7 Al4 Al6 115.00(12) . . ?
C3_7 Al4 Al6 116.98(12) . . ?
C5_7 Al4 Al6 140.21(12) . . ?
C2_7 Al4 Al6 143.82(12) . . ?
C1_7 Al4 Al6 177.32(12) . . ?
Si2 Al4 Al6 54.47(4) . . ?
Al5 Al4 Al6 59.69(4) . . ?
C2_8 Al5 C1_8 37.20(14) . . ?
C2_8 Al5 C3_8 37.22(14) . . ?
C1_8 Al5 C3_8 61.89(14) . . ?
C2_8 Al5 C5_8 62.25(15) . . ?
C1_8 Al5 C5_8 37.33(14) . . ?
C3_8 Al5 C5_8 61.75(15) . . ?
C2_8 Al5 C4_8 62.13(15) . . ?
C1_8 Al5 C4_8 61.89(14) . . ?
C3_8 Al5 C4_8 37.02(14) . . ?
C5_8 Al5 C4_8 36.80(14) . . ?
C2_8 Al5 Si2 121.48(12) . . ?
C1_8 Al5 Si2 113.48(11) . . ?
C3_8 Al5 Si2 152.27(13) . . ?
C5_8 Al5 Si2 133.01(12) . . ?
C4_8 Al5 Si2 168.47(12) . . ?
C2_8 Al5 Al4 168.74(12) . . ?
C1_8 Al5 Al4 132.00(12) . . ?
C3_8 Al5 Al4 149.79(12) . . ?
C5_8 Al5 Al4 111.08(12) . . ?
C4_8 Al5 Al4 118.78(12) . . ?
Si2 Al5 Al4 55.26(4) . . ?
C2_8 Al5 Al6 127.28(12) . . ?
C1_8 Al5 Al6 156.86(12) . . ?
C3_8 Al5 Al6 117.87(11) . . ?
C5_8 Al5 Al6 165.61(12) . . ?
C4_8 Al5 Al6 133.64(11) . . ?
Si2 Al5 Al6 54.64(4) . . ?
Al4 Al5 Al6 61.28(4) . . ?
C4_9 Al6 C3_9 37.38(14) . . ?
C4_9 Al6 C5_9 37.67(14) . . ?
C3_9 Al6 C5_9 62.48(15) . . ?
C4_9 Al6 C1_9 62.54(16) . . ?
C3_9 Al6 C1_9 62.24(15) . . ?
C5_9 Al6 C1_9 37.25(15) . . ?
C4_9 Al6 C2_9 62.49(15) . . ?
C3_9 Al6 C2_9 37.38(15) . . ?
C5_9 Al6 C2_9 62.21(15) . . ?
C1_9 Al6 C2_9 37.02(15) . . ?
C4_9 Al6 Si2 170.71(12) . . ?
C3_9 Al6 Si2 134.04(12) . . ?
C5_9 Al6 Si2 149.12(12) . . ?
C1_9 Al6 Si2 119.33(13) . . ?
C2_9 Al6 Si2 112.89(12) . . ?
C4_9 Al6 Al5 119.42(12) . . ?
C3_9 Al6 Al5 112.29(12) . . ?
C5_9 Al6 Al5 150.35(12) . . ?
C1_9 Al6 Al5 169.43(12) . . ?
C2_9 Al6 Al5 133.12(12) . . ?
Si2 Al6 Al5 56.90(4) . . ?
C4_9 Al6 Al4 132.15(12) . . ?
C3_9 Al6 Al4 164.10(12) . . ?
C5_9 Al6 Al4 117.45(12) . . ?
C1_9 Al6 Al4 128.53(12) . . ?
C2_9 Al6 Al4 158.34(12) . . ?
Si2 Al6 Al4 54.97(4) . . ?
Al5 Al6 Al4 59.04(4) . . ?
C5_4 Al7 C4_4 37.67(16) . . ?
C5_4 Al7 C1_4 37.27(16) . . ?
C4_4 Al7 C1_4 62.26(16) . . ?
C5_4 Al7 C3_4 62.31(17) . . ?
C4_4 Al7 C3_4 37.03(16) . . ?
C1_4 Al7 C3_4 61.89(16) . . ?
C5_4 Al7 C2_4 61.99(17) . . ?
C4_4 Al7 C2_4 61.74(16) . . ?
C1_4 Al7 C2_4 36.95(16) . . ?
C3_4 Al7 C2_4 36.80(15) . . ?
C5_4 Al7 Si3 164.46(13) . . ?
C4_4 Al7 Si3 157.07(14) . . ?
C1_4 Al7 Si3 131.31(13) . . ?
C3_4 Al7 Si3 126.43(14) . . ?
C2_4 Al7 Si3 115.89(13) . . ?
C5_4 Al7 Al9 133.65(13) . . ?
C4_4 Al7 Al9 112.42(13) . . ?
C1_4 Al7 Al9 170.43(14) . . ?
C3_4 Al7 Al9 119.41(13) . . ?
C2_4 Al7 Al9 149.47(14) . . ?
Si3 Al7 Al9 56.67(5) . . ?
C5_4 Al7 Al8 117.01(13) . . ?
C4_4 Al7 Al8 140.78(14) . . ?
C1_4 Al7 Al8 119.40(13) . . ?
C3_4 Al7 Al8 177.25(13) . . ?
C2_4 Al7 Al8 145.69(13) . . ?
Si3 Al7 Al8 54.93(4) . . ?
Al9 Al7 Al8 58.87(5) . . ?
C5_5 Al8 C4_5 37.70(17) . . ?
C5_5 Al8 C3_5 62.36(16) . . ?
C4_5 Al8 C3_5 37.37(15) . . ?
C5_5 Al8 C1_5 37.63(16) . . ?
C4_5 Al8 C1_5 63.00(16) . . ?
C3_5 Al8 C1_5 62.33(15) . . ?
C5_5 Al8 C2_5 62.28(16) . . ?
C4_5 Al8 C2_5 62.68(15) . . ?
C3_5 Al8 C2_5 37.41(14) . . ?
C1_5 Al8 C2_5 36.98(14) . . ?
C5_5 Al8 Si3 145.69(14) . . ?
C4_5 Al8 Si3 176.30(14) . . ?
C3_5 Al8 Si3 139.77(13) . . ?
C1_5 Al8 Si3 118.80(12) . . ?
C2_5 Al8 Si3 116.51(12) . . ?
C5_5 Al8 Al9 149.83(14) . . ?
C4_5 Al8 Al9 120.44(13) . . ?
C3_5 Al8 Al9 114.91(12) . . ?
C1_5 Al8 Al9 171.40(13) . . ?
C2_5 Al8 Al9 135.82(12) . . ?
Si3 Al8 Al9 57.29(4) . . ?
C5_5 Al8 Al7 111.86(13) . . ?
C4_5 Al8 Al7 126.83(13) . . ?
C3_5 Al8 Al7 161.27(12) . . ?
C1_5 Al8 Al7 125.31(12) . . ?
C2_5 Al8 Al7 158.52(12) . . ?
Si3 Al8 Al7 55.34(5) . . ?
Al9 Al8 Al7 60.10(5) . . ?
C2_6 Al9 C1_6 37.57(15) . . ?
C2_6 Al9 C3_6 37.25(16) . . ?
C1_6 Al9 C3_6 62.31(16) . . ?
C2_6 Al9 C5_6 62.44(17) . . ?
C1_6 Al9 C5_6 37.30(16) . . ?
C3_6 Al9 C5_6 62.08(16) . . ?
C2_6 Al9 C4_6 62.06(17) . . ?
C1_6 Al9 C4_6 62.00(17) . . ?
C3_6 Al9 C4_6 37.02(16) . . ?
C5_6 Al9 C4_6 36.97(16) . . ?
C2_6 Al9 Si3 114.13(13) . . ?
C1_6 Al9 Si3 121.34(13) . . ?
C3_6 Al9 Si3 134.37(13) . . ?
C5_6 Al9 Si3 151.21(13) . . ?
C4_6 Al9 Si3 170.13(14) . . ?
C2_6 Al9 Al8 156.86(13) . . ?
C1_6 Al9 Al8 125.79(12) . . ?
C3_6 Al9 Al8 165.04(14) . . ?
C5_6 Al9 Al8 115.39(13) . . ?
C4_6 Al9 Al8 131.73(14) . . ?
Si3 Al9 Al8 55.38(4) . . ?
C2_6 Al9 Al7 133.57(13) . . ?
C1_6 Al9 Al7 170.48(13) . . ?
C3_6 Al9 Al7 112.82(12) . . ?
C5_6 Al9 Al7 149.56(14) . . ?
C4_6 Al9 Al7 119.80(13) . . ?
Si3 Al9 Al7 55.21(5) . . ?
Al8 Al9 Al7 61.03(5) . . ?
C5_2 Al10 C4_2 37.54(15) . . ?
C5_2 Al10 C2_2 62.15(16) . . ?
C4_2 Al10 C2_2 62.27(15) . . ?
C5_2 Al10 C1_2 37.27(15) . . ?
C4_2 Al10 C1_2 62.46(15) . . ?
C2_2 Al10 C1_2 37.11(16) . . ?
C5_2 Al10 C3_2 62.30(15) . . ?
C4_2 Al10 C3_2 37.15(14) . . ?
C2_2 Al10 C3_2 37.36(14) . . ?
C1_2 Al10 C3_2 62.29(15) . . ?
C5_2 Al10 Si4 149.11(13) . . ?
C4_2 Al10 Si4 121.99(12) . . ?
C2_2 Al10 Si4 138.92(13) . . ?
C1_2 Al10 Si4 173.55(13) . . ?
C3_2 Al10 Si4 117.83(12) . . ?
C5_2 Al10 Al11 109.36(12) . . ?
C4_2 Al10 Al11 121.76(12) . . ?
C2_2 Al10 Al11 162.17(13) . . ?
C1_2 Al10 Al11 126.56(13) . . ?
C3_2 Al10 Al11 155.41(12) . . ?
Si4 Al10 Al11 56.32(4) . . ?
C5_2 Al10 Al12 146.69(12) . . ?
C4_2 Al10 Al12 175.53(12) . . ?
C2_2 Al10 Al12 117.04(12) . . ?
C1_2 Al10 Al12 120.00(12) . . ?
C3_2 Al10 Al12 139.57(12) . . ?
Si4 Al10 Al12 55.22(4) . . ?
Al11 Al10 Al12 60.40(4) . . ?
C3_3 Al11 C4_3 37.42(15) . . ?
C3_3 Al11 C2_3 37.80(15) . . ?
C4_3 Al11 C2_3 62.60(15) . . ?
C3_3 Al11 C5_3 62.27(15) . . ?
C4_3 Al11 C5_3 37.30(14) . . ?
C2_3 Al11 C5_3 61.92(16) . . ?
C3_3 Al11 C1_3 62.54(16) . . ?
C4_3 Al11 C1_3 62.32(15) . . ?
C2_3 Al11 C1_3 37.09(16) . . ?
C5_3 Al11 C1_3 36.92(15) . . ?
C3_3 Al11 Si4 113.47(13) . . ?
C4_3 Al11 Si4 112.33(12) . . ?
C2_3 Al11 Si4 141.71(14) . . ?
C5_3 Al11 Si4 138.70(12) . . ?
C1_3 Al11 Si4 174.65(12) . . ?
C3_3 Al11 Al10 168.05(13) . . ?
C4_3 Al11 Al10 136.75(12) . . ?
C2_3 Al11 Al10 154.10(13) . . ?
C5_3 Al11 Al10 120.15(12) . . ?
C1_3 Al11 Al10 127.21(12) . . ?
Si4 Al11 Al10 56.28(4) . . ?
C3_3 Al11 Al12 120.52(12) . . ?
C4_3 Al11 Al12 153.06(12) . . ?
C2_3 Al11 Al12 110.51(12) . . ?
C5_3 Al11 Al12 165.36(12) . . ?
C1_3 Al11 Al12 129.45(12) . . ?
Si4 Al11 Al12 55.26(4) . . ?
Al10 Al11 Al12 60.54(4) . . ?
C5_1 Al12 C4_1 37.98(15) . . ?
C5_1 Al12 C1_1 37.19(16) . . ?
C4_1 Al12 C1_1 62.54(16) . . ?
C5_1 Al12 C3_1 62.55(15) . . ?
C4_1 Al12 C3_1 37.26(15) . . ?
C1_1 Al12 C3_1 62.00(15) . . ?
C5_1 Al12 C2_1 61.99(16) . . ?
C4_1 Al12 C2_1 61.97(16) . . ?
C1_1 Al12 C2_1 36.96(15) . . ?
C3_1 Al12 C2_1 36.81(15) . . ?
C5_1 Al12 Si4 155.79(13) . . ?
C4_1 Al12 Si4 164.86(12) . . ?
C1_1 Al12 Si4 124.77(13) . . ?
C3_1 Al12 Si4 130.83(12) . . ?
C2_1 Al12 Si4 114.60(12) . . ?
C5_1 Al12 Al11 140.41(13) . . ?
C4_1 Al12 Al11 117.94(12) . . ?
C1_1 Al12 Al11 175.63(13) . . ?
C3_1 Al12 Al11 121.28(12) . . ?
C2_1 Al12 Al11 147.39(13) . . ?
Si4 Al12 Al11 55.97(4) . . ?
C5_1 Al12 Al10 112.25(12) . . ?
C4_1 Al12 Al10 135.69(13) . . ?
C1_1 Al12 Al10 117.28(12) . . ?
C3_1 Al12 Al10 172.93(13) . . ?
C2_1 Al12 Al10 146.58(13) . . ?
Si4 Al12 Al10 55.88(4) . . ?
Al11 Al12 Al10 59.06(4) . . ?
O1_59 Al13 O1_57 124.6(16) . . ?
O1_59 Al13 O1_48 102.2(15) . . ?
O1_57 Al13 O1_48 115.9(13) . . ?
O1_19 Al13 O1_18 113.7(7) . . ?
O1_19 Al13 O1_17 111.3(10) . . ?
O1_18 Al13 O1_17 113.3(7) . . ?
O1_59 Al13 F1 107.3(13) . . ?
O1_19 Al13 F1 107.5(7) . . ?
O1_57 Al13 F1 102.0(10) . . ?
O1_48 Al13 F1 102.5(9) . . ?
O1_18 Al13 F1 104.2(2) . . ?
O1_17 Al13 F1 106.3(7) . . ?
O1_22 Al14 O1_20 113.68(18) . . ?
O1_22 Al14 O1_21 116.8(6) . . ?
O1_20 Al14 O1_21 110.3(6) . . ?
O1_58 Al14 F1 112.2(14) . . ?
O1_22 Al14 F1 103.88(15) . . ?
O1_20 Al14 F1 105.25(16) . . ?
O1_21 Al14 F1 105.7(7) . . ?
O1_65 Al14 F1 102.7(10) . . ?
O1_25 Al15 O1_23 123.1(7) . . ?
O1_49 Al15 O1_11 122.6(12) . . ?
O1_25 Al15 O1_24 113.1(7) . . ?
O1_23 Al15 O1_24 109.9(3) . . ?
O1_49 Al15 F2 114.2(4) . . ?
O1_25 Al15 F2 105.0(6) . . ?
O1_23 Al15 F2 100.9(2) . . ?
O1_46 Al15 F2 104.2(13) . . ?
O1_11 Al15 F2 111.2(11) . . ?
O1_63 Al15 F2 106.1(5) . . ?
O1_24 Al15 F2 101.7(2) . . ?
O1_67 Al16 O1_61 103.2(13) . . ?
O1_47 Al16 O1_50 116.9(13) . . ?
O1_26 Al16 O1_27 99.8(9) . . ?
O1_26 Al16 O1_28 109.8(8) . . ?
O1_27 Al16 O1_28 130.9(8) . . ?
O1_47 Al16 O1_41 110.9(11) . . ?
O1_50 Al16 O1_41 115.2(11) . . ?
O1_67 Al16 O1_64 108.4(15) . . ?
O1_61 Al16 O1_64 131.6(9) . . ?
O1_47 Al16 F2 108.2(9) . . ?
O1_67 Al16 F2 108.7(12) . . ?
O1_61 Al16 F2 108.4(5) . . ?
O1_50 Al16 F2 106.5(11) . . ?
O1_26 Al16 F2 108.8(8) . . ?
O1_27 Al16 F2 101.9(7) . . ?
O1_28 Al16 F2 104.4(5) . . ?
O1_41 Al16 F2 96.9(5) . . ?
O1_64 Al16 F2 95.2(7) . . ?
O1_55 Al17 O1_13 136.5(14) . . ?
O1_30 Al17 O1_31 117.2(2) . . ?
O1_30 Al17 O1_29 111.0(4) . . ?
O1_31 Al17 O1_29 114.2(5) . . ?
O1_55 Al17 F3 100.2(10) . . ?
O1_60 Al17 F3 110.9(14) . . ?
O1_13 Al17 F3 107.2(9) . . ?
O1_30 Al17 F3 102.39(17) . . ?
O1_31 Al17 F3 101.7(2) . . ?
O1_29 Al17 F3 108.9(4) . . ?
O1_56 Al18 O1_45 104.1(9) . . ?
O1_34 Al18 O1_33 115.8(10) . . ?
O1_56 Al18 O1_44 112.5(13) . . ?
O1_45 Al18 O1_44 122.1(13) . . ?
O1_34 Al18 O1_32 114.8(10) . . ?
O1_33 Al18 O1_32 112.7(6) . . ?
O1_56 Al18 F3 118.5(6) . . ?
O1_66 Al18 F3 113.0(7) . . ?
O1_34 Al18 F3 104.7(9) . . ?
O1_45 Al18 F3 96.7(6) . . ?
O1_33 Al18 F3 104.0(5) . . ?
O1_44 Al18 F3 102.9(10) . . ?
O1_32 Al18 F3 103.0(2) . . ?
O1_36 Al19 O1_35 111.8(3) . . ?
O1_53 Al19 O1_12 117.9(12) . . ?
O1_36 Al19 O1_37 117.2(3) . . ?
O1_35 Al19 O1_37 111.4(2) . . ?
O1_53 Al19 F4 115.8(8) . . ?
O1_36 Al19 F4 109.4(2) . . ?
O1_35 Al19 F4 107.2(2) . . ?
O1_12 Al19 F4 101.2(9) . . ?
O1_37 Al19 F4 98.68(15) . . ?
O1_53 Al19 O1_43 113.3(13) . . ?
O1_12 Al19 O1_43 106.0(14) . . ?
F4 Al19 O1_43 100.3(10) . . ?
O1_38 Al20 O1_39 112.8(2) . . ?
O1_38 Al20 O1_40 117.2(4) . . ?
O1_39 Al20 O1_40 110.4(4) . . ?
O1_54 Al20 O1_42 108.4(12) . . ?
O1_54 Al20 O1_51 117.5(15) . . ?
O1_42 Al20 O1_51 125.9(11) . . ?
O1_52 Al20 F4 115.4(7) . . ?
O1_38 Al20 F4 106.4(3) . . ?
O1_39 Al20 F4 107.76(18) . . ?
O1_40 Al20 F4 101.0(4) . . ?
O1_54 Al20 F4 102.2(12) . . ?
O1_42 Al20 F4 98.0(4) . . ?
O1_51 Al20 F4 98.6(10) . . ?
Al14 F1 Al13 178.57(18) . . ?
Al15 F2 Al16 170.75(16) . . ?
Al17 F3 Al18 168.44(17) . . ?
Al19 F4 Al20 173.94(15) . . ?
C5_1 C1_1 C2_1 108.3(4) . . ?
C5_1 C1_1 C10_1 128.3(4) . . ?
C2_1 C1_1 C10_1 123.4(4) . . ?
C5_1 C1_1 Al12 70.6(2) . . ?
C2_1 C1_1 Al12 72.5(2) . . ?
C10_1 C1_1 Al12 123.1(3) . . ?
C3_1 C2_1 C1_1 108.3(4) . . ?
C3_1 C2_1 C9_1 126.7(4) . . ?
C1_1 C2_1 C9_1 124.7(4) . . ?
C3_1 C2_1 Al12 71.2(2) . . ?
C1_1 C2_1 Al12 70.5(2) . . ?
C9_1 C2_1 Al12 128.2(3) . . ?
C2_1 C3_1 C4_1 108.1(4) . . ?
C2_1 C3_1 C8_1 125.4(4) . . ?
C4_1 C3_1 C8_1 126.6(4) . . ?
C2_1 C3_1 Al12 72.0(2) . . ?
C4_1 C3_1 Al12 70.4(2) . . ?
C8_1 C3_1 Al12 124.1(3) . . ?
C3_1 C4_1 C5_1 107.5(4) . . ?
C3_1 C4_1 C7_1 128.3(4) . . ?
C5_1 C4_1 C7_1 123.9(4) . . ?
C3_1 C4_1 Al12 72.3(2) . . ?
C5_1 C4_1 Al12 70.6(2) . . ?
C7_1 C4_1 Al12 127.2(3) . . ?
C1_1 C5_1 C4_1 107.9(4) . . ?
C1_1 C5_1 C6_1 127.8(4) . . ?
C4_1 C5_1 C6_1 124.1(4) . . ?
C1_1 C5_1 Al12 72.2(2) . . ?
C4_1 C5_1 Al12 71.4(2) . . ?
C6_1 C5_1 Al12 126.4(3) . . ?
C5_1 C6_1 H6A_1 109.5 . . ?
C5_1 C6_1 H6B_1 109.5 . . ?
H6A_1 C6_1 H6B_1 109.5 . . ?
C5_1 C6_1 H6C_1 109.5 . . ?
H6A_1 C6_1 H6C_1 109.5 . . ?
H6B_1 C6_1 H6C_1 109.5 . . ?
C4_1 C7_1 H7A_1 109.5 . . ?
C4_1 C7_1 H7B_1 109.5 . . ?
H7A_1 C7_1 H7B_1 109.5 . . ?
C4_1 C7_1 H7C_1 109.5 . . ?
H7A_1 C7_1 H7C_1 109.5 . . ?
H7B_1 C7_1 H7C_1 109.5 . . ?
C3_1 C8_1 H8A_1 109.5 . . ?
C3_1 C8_1 H8B_1 109.5 . . ?
H8A_1 C8_1 H8B_1 109.5 . . ?
C3_1 C8_1 H8C_1 109.5 . . ?
H8A_1 C8_1 H8C_1 109.5 . . ?
H8B_1 C8_1 H8C_1 109.5 . . ?
C2_1 C9_1 H9A_1 109.5 . . ?
C2_1 C9_1 H9B_1 109.5 . . ?
H9A_1 C9_1 H9B_1 109.5 . . ?
C2_1 C9_1 H9C_1 109.5 . . ?
H9A_1 C9_1 H9C_1 109.5 . . ?
H9B_1 C9_1 H9C_1 109.5 . . ?
C1_1 C10_1 H10A_1 109.5 . . ?
C1_1 C10_1 H10B_1 109.5 . . ?
H10A_1 C10_1 H10B_1 109.5 . . ?
C1_1 C10_1 H10C_1 109.5 . . ?
H10A_1 C10_1 H10C_1 109.5 . . ?
H10B_1 C10_1 H10C_1 109.5 . . ?
C2_2 C1_2 C5_2 107.8(4) . . ?
C2_2 C1_2 C10_2 127.8(4) . . ?
C5_2 C1_2 C10_2 124.4(4) . . ?
C2_2 C1_2 Al10 71.4(2) . . ?
C5_2 C1_2 Al10 70.8(2) . . ?
C10_2 C1_2 Al10 124.2(3) . . ?
C1_2 C2_2 C3_2 108.2(4) . . ?
C1_2 C2_2 C9_2 127.7(4) . . ?
C3_2 C2_2 C9_2 123.8(4) . . ?
C1_2 C2_2 Al10 71.5(2) . . ?
C3_2 C2_2 Al10 71.4(2) . . ?
C9_2 C2_2 Al10 127.4(3) . . ?
C4_2 C3_2 C2_2 107.8(4) . . ?
C4_2 C3_2 C8_2 127.8(4) . . ?
C2_2 C3_2 C8_2 124.4(4) . . ?
C4_2 C3_2 Al10 71.0(2) . . ?
C2_2 C3_2 Al10 71.3(2) . . ?
C8_2 C3_2 Al10 124.5(3) . . ?
C3_2 C4_2 C5_2 107.9(3) . . ?
C3_2 C4_2 C7_2 127.3(4) . . ?
C5_2 C4_2 C7_2 124.8(4) . . ?
C3_2 C4_2 Al10 71.8(2) . . ?
C5_2 C4_2 Al10 71.1(2) . . ?
C7_2 C4_2 Al10 123.6(3) . . ?
C1_2 C5_2 C4_2 108.2(4) . . ?
C1_2 C5_2 C6_2 125.4(4) . . ?
C4_2 C5_2 C6_2 126.3(4) . . ?
C1_2 C5_2 Al10 71.9(2) . . ?
C4_2 C5_2 Al10 71.4(2) . . ?
C6_2 C5_2 Al10 124.6(3) . . ?
C5_2 C6_2 H6A_2 109.5 . . ?
C5_2 C6_2 H6B_2 109.5 . . ?
H6A_2 C6_2 H6B_2 109.5 . . ?
C5_2 C6_2 H6C_2 109.5 . . ?
H6A_2 C6_2 H6C_2 109.5 . . ?
H6B_2 C6_2 H6C_2 109.5 . . ?
C4_2 C7_2 H7A_2 109.5 . . ?
C4_2 C7_2 H7B_2 109.5 . . ?
H7A_2 C7_2 H7B_2 109.5 . . ?
C4_2 C7_2 H7C_2 109.5 . . ?
H7A_2 C7_2 H7C_2 109.5 . . ?
H7B_2 C7_2 H7C_2 109.5 . . ?
C3_2 C8_2 H8A_2 109.5 . . ?
C3_2 C8_2 H8B_2 109.5 . . ?
H8A_2 C8_2 H8B_2 109.5 . . ?
C3_2 C8_2 H8C_2 109.5 . . ?
H8A_2 C8_2 H8C_2 109.5 . . ?
H8B_2 C8_2 H8C_2 109.5 . . ?
C2_2 C9_2 H9A_2 109.5 . . ?
C2_2 C9_2 H9B_2 109.5 . . ?
H9A_2 C9_2 H9B_2 109.5 . . ?
C2_2 C9_2 H9C_2 109.5 . . ?
H9A_2 C9_2 H9C_2 109.5 . . ?
H9B_2 C9_2 H9C_2 109.5 . . ?
C1_2 C10_2 H10A_2 109.5 . . ?
C1_2 C10_2 H10B_2 109.5 . . ?
H10A_2 C10_2 H10B_2 109.5 . . ?
C1_2 C10_2 H10C_2 109.5 . . ?
H10A_2 C10_2 H10C_2 109.5 . . ?
H10B_2 C10_2 H10C_2 109.5 . . ?
C2_3 C1_3 C5_3 107.8(4) . . ?
C2_3 C1_3 C10_3 125.4(4) . . ?
C5_3 C1_3 C10_3 126.8(4) . . ?
C2_3 C1_3 Al11 70.4(2) . . ?
C5_3 C1_3 Al11 71.5(2) . . ?
C10_3 C1_3 Al11 124.6(3) . . ?
C1_3 C2_3 C3_3 108.2(4) . . ?
C1_3 C2_3 C9_3 124.9(4) . . ?
C3_3 C2_3 C9_3 126.8(5) . . ?
C1_3 C2_3 Al11 72.5(2) . . ?
C3_3 C2_3 Al11 70.6(2) . . ?
C9_3 C2_3 Al11 125.5(3) . . ?
C4_3 C3_3 C2_3 107.8(4) . . ?
C4_3 C3_3 C8_3 125.7(4) . . ?
C2_3 C3_3 C8_3 126.4(4) . . ?
C4_3 C3_3 Al11 71.7(2) . . ?
C2_3 C3_3 Al11 71.6(2) . . ?
C8_3 C3_3 Al11 121.3(3) . . ?
C3_3 C4_3 C5_3 107.9(4) . . ?
C3_3 C4_3 C7_3 126.0(4) . . ?
C5_3 C4_3 C7_3 126.0(4) . . ?
C3_3 C4_3 Al11 70.8(2) . . ?
C5_3 C4_3 Al11 72.4(2) . . ?
C7_3 C4_3 Al11 123.3(3) . . ?
C1_3 C5_3 C4_3 108.3(4) . . ?
C1_3 C5_3 C6_3 127.6(4) . . ?
C4_3 C5_3 C6_3 123.5(4) . . ?
C1_3 C5_3 Al11 71.6(2) . . ?
C4_3 C5_3 Al11 70.3(2) . . ?
C6_3 C5_3 Al11 130.4(3) . . ?
C5_3 C6_3 H6A_3 109.5 . . ?
C5_3 C6_3 H6B_3 109.5 . . ?
H6A_3 C6_3 H6B_3 109.5 . . ?
C5_3 C6_3 H6C_3 109.5 . . ?
H6A_3 C6_3 H6C_3 109.5 . . ?
H6B_3 C6_3 H6C_3 109.5 . . ?
C4_3 C7_3 H7A_3 109.5 . . ?
C4_3 C7_3 H7B_3 109.5 . . ?
H7A_3 C7_3 H7B_3 109.5 . . ?
C4_3 C7_3 H7C_3 109.5 . . ?
H7A_3 C7_3 H7C_3 109.5 . . ?
H7B_3 C7_3 H7C_3 109.5 . . ?
C3_3 C8_3 H8A_3 109.5 . . ?
C3_3 C8_3 H8B_3 109.5 . . ?
H8A_3 C8_3 H8B_3 109.5 . . ?
C3_3 C8_3 H8C_3 109.5 . . ?
H8A_3 C8_3 H8C_3 109.5 . . ?
H8B_3 C8_3 H8C_3 109.5 . . ?
C2_3 C9_3 H9A_3 109.5 . . ?
C2_3 C9_3 H9B_3 109.5 . . ?
H9A_3 C9_3 H9B_3 109.5 . . ?
C2_3 C9_3 H9C_3 109.5 . . ?
H9A_3 C9_3 H9C_3 109.5 . . ?
H9B_3 C9_3 H9C_3 109.5 . . ?
C1_3 C10_3 H10A_3 109.5 . . ?
C1_3 C10_3 H10B_3 109.5 . . ?
H10A_3 C10_3 H10B_3 109.5 . . ?
C1_3 C10_3 H10C_3 109.5 . . ?
H10A_3 C10_3 H10C_3 109.5 . . ?
H10B_3 C10_3 H10C_3 109.5 . . ?
C2_4 C1_4 C5_4 107.6(4) . . ?
C2_4 C1_4 C10_4 125.3(5) . . ?
C5_4 C1_4 C10_4 127.0(5) . . ?
C2_4 C1_4 Al7 71.7(2) . . ?
C5_4 C1_4 Al7 70.4(2) . . ?
C10_4 C1_4 Al7 124.7(3) . . ?
C3_4 C2_4 C1_4 108.6(4) . . ?
C3_4 C2_4 C9_4 124.6(5) . . ?
C1_4 C2_4 C9_4 126.6(4) . . ?
C3_4 C2_4 Al7 71.5(2) . . ?
C1_4 C2_4 Al7 71.4(2) . . ?
C9_4 C2_4 Al7 127.4(3) . . ?
C2_4 C3_4 C4_4 107.9(4) . . ?
C2_4 C3_4 C8_4 123.8(5) . . ?
C4_4 C3_4 C8_4 128.3(4) . . ?
C2_4 C3_4 Al7 71.7(2) . . ?
C4_4 C3_4 Al7 70.5(2) . . ?
C8_4 C3_4 Al7 124.8(3) . . ?
C3_4 C4_4 C5_4 108.1(4) . . ?
C3_4 C4_4 C7_4 128.0(5) . . ?
C5_4 C4_4 C7_4 123.7(5) . . ?
C3_4 C4_4 Al7 72.4(2) . . ?
C5_4 C4_4 Al7 71.0(2) . . ?
C7_4 C4_4 Al7 126.5(3) . . ?
C1_4 C5_4 C4_4 107.7(4) . . ?
C1_4 C5_4 C6_4 128.6(4) . . ?
C4_4 C5_4 C6_4 123.4(4) . . ?
C1_4 C5_4 Al7 72.4(3) . . ?
C4_4 C5_4 Al7 71.3(3) . . ?
C6_4 C5_4 Al7 125.9(3) . . ?
C5_4 C6_4 H6A_4 109.5 . . ?
C5_4 C6_4 H6B_4 109.5 . . ?
H6A_4 C6_4 H6B_4 109.5 . . ?
C5_4 C6_4 H6C_4 109.5 . . ?
H6A_4 C6_4 H6C_4 109.5 . . ?
H6B_4 C6_4 H6C_4 109.5 . . ?
C4_4 C7_4 H7A_4 109.5 . . ?
C4_4 C7_4 H7B_4 109.5 . . ?
H7A_4 C7_4 H7B_4 109.5 . . ?
C4_4 C7_4 H7C_4 109.5 . . ?
H7A_4 C7_4 H7C_4 109.5 . . ?
H7B_4 C7_4 H7C_4 109.5 . . ?
C3_4 C8_4 H8A_4 109.5 . . ?
C3_4 C8_4 H8B_4 109.5 . . ?
H8A_4 C8_4 H8B_4 109.5 . . ?
C3_4 C8_4 H8C_4 109.5 . . ?
H8A_4 C8_4 H8C_4 109.5 . . ?
H8B_4 C8_4 H8C_4 109.5 . . ?
C2_4 C9_4 H9A_4 109.5 . . ?
C2_4 C9_4 H9B_4 109.5 . . ?
H9A_4 C9_4 H9B_4 109.5 . . ?
C2_4 C9_4 H9C_4 109.5 . . ?
H9A_4 C9_4 H9C_4 109.5 . . ?
H9B_4 C9_4 H9C_4 109.5 . . ?
C1_4 C10_4 H10A_4 109.5 . . ?
C1_4 C10_4 H10B_4 109.5 . . ?
H10A_4 C10_4 H10B_4 109.5 . . ?
C1_4 C10_4 H10C_4 109.5 . . ?
H10A_4 C10_4 H10C_4 109.5 . . ?
H10B_4 C10_4 H10C_4 109.5 . . ?
C2_5 C1_5 C5_5 107.6(4) . . ?
C2_5 C1_5 C10_5 126.0(4) . . ?
C5_5 C1_5 C10_5 126.5(4) . . ?
C2_5 C1_5 Al8 71.6(2) . . ?
C5_5 C1_5 Al8 70.3(2) . . ?
C10_5 C1_5 Al8 123.2(3) . . ?
C1_5 C2_5 C3_5 108.2(4) . . ?
C1_5 C2_5 C9_5 126.8(4) . . ?
C3_5 C2_5 C9_5 125.0(4) . . ?
C1_5 C2_5 Al8 71.4(2) . . ?
C3_5 C2_5 Al8 70.9(2) . . ?
C9_5 C2_5 Al8 123.9(3) . . ?
C4_5 C3_5 C2_5 108.4(4) . . ?
C4_5 C3_5 C8_5 127.5(4) . . ?
C2_5 C3_5 C8_5 123.9(4) . . ?
C4_5 C3_5 Al8 70.9(2) . . ?
C2_5 C3_5 Al8 71.7(2) . . ?
C8_5 C3_5 Al8 127.3(3) . . ?
C3_5 C4_5 C5_5 107.3(4) . . ?
C3_5 C4_5 C7_5 127.4(5) . . ?
C5_5 C4_5 C7_5 125.3(5) . . ?
C3_5 C4_5 Al8 71.8(2) . . ?
C5_5 C4_5 Al8 71.0(2) . . ?
C7_5 C4_5 Al8 122.0(3) . . ?
C4_5 C5_5 C1_5 108.5(4) . . ?
C4_5 C5_5 C6_5 126.1(5) . . ?
C1_5 C5_5 C6_5 125.2(5) . . ?
C4_5 C5_5 Al8 71.3(2) . . ?
C1_5 C5_5 Al8 72.0(2) . . ?
C6_5 C5_5 Al8 125.6(3) . . ?
C5_5 C6_5 H6A_5 109.5 . . ?
C5_5 C6_5 H6B_5 109.5 . . ?
H6A_5 C6_5 H6B_5 109.5 . . ?
C5_5 C6_5 H6C_5 109.5 . . ?
H6A_5 C6_5 H6C_5 109.5 . . ?
H6B_5 C6_5 H6C_5 109.5 . . ?
C4_5 C7_5 H7A_5 109.5 . . ?
C4_5 C7_5 H7B_5 109.5 . . ?
H7A_5 C7_5 H7B_5 109.5 . . ?
C4_5 C7_5 H7C_5 109.5 . . ?
H7A_5 C7_5 H7C_5 109.5 . . ?
H7B_5 C7_5 H7C_5 109.5 . . ?
C3_5 C8_5 H8A_5 109.5 . . ?
C3_5 C8_5 H8B_5 109.5 . . ?
H8A_5 C8_5 H8B_5 109.5 . . ?
C3_5 C8_5 H8C_5 109.5 . . ?
H8A_5 C8_5 H8C_5 109.5 . . ?
H8B_5 C8_5 H8C_5 109.5 . . ?
C2_5 C9_5 H9A_5 109.5 . . ?
C2_5 C9_5 H9B_5 109.5 . . ?
H9A_5 C9_5 H9B_5 109.5 . . ?
C2_5 C9_5 H9C_5 109.5 . . ?
H9A_5 C9_5 H9C_5 109.5 . . ?
H9B_5 C9_5 H9C_5 109.5 . . ?
C1_5 C10_5 H10A_5 109.5 . . ?
C1_5 C10_5 H10B_5 109.5 . . ?
H10A_5 C10_5 H10B_5 109.5 . . ?
C1_5 C10_5 H10C_5 109.5 . . ?
H10A_5 C10_5 H10C_5 109.5 . . ?
H10B_5 C10_5 H10C_5 109.5 . . ?
C5_6 C1_6 C2_6 107.9(4) . . ?
C5_6 C1_6 C10_6 125.5(4) . . ?
C2_6 C1_6 C10_6 126.5(5) . . ?
C5_6 C1_6 Al9 72.0(2) . . ?
C2_6 C1_6 Al9 71.0(2) . . ?
C10_6 C1_6 Al9 124.5(3) . . ?
C3_6 C2_6 C1_6 107.9(4) . . ?
C3_6 C2_6 C9_6 124.2(4) . . ?
C1_6 C2_6 C9_6 128.0(4) . . ?
C3_6 C2_6 Al9 71.9(2) . . ?
C1_6 C2_6 Al9 71.4(2) . . ?
C9_6 C2_6 Al9 123.3(3) . . ?
C4_6 C3_6 C2_6 108.0(4) . . ?
C4_6 C3_6 C8_6 127.9(4) . . ?
C2_6 C3_6 C8_6 123.8(5) . . ?
C4_6 C3_6 Al9 71.9(2) . . ?
C2_6 C3_6 Al9 70.9(2) . . ?
C8_6 C3_6 Al9 127.1(3) . . ?
C3_6 C4_6 C5_6 108.5(4) . . ?
C3_6 C4_6 C7_6 127.2(5) . . ?
C5_6 C4_6 C7_6 124.3(5) . . ?
C3_6 C4_6 Al9 71.1(2) . . ?
C5_6 C4_6 Al9 71.4(2) . . ?
C7_6 C4_6 Al9 124.7(3) . . ?
C4_6 C5_6 C1_6 107.7(4) . . ?
C4_6 C5_6 C6_6 126.0(5) . . ?
C1_6 C5_6 C6_6 126.0(5) . . ?
C4_6 C5_6 Al9 71.6(2) . . ?
C1_6 C5_6 Al9 70.7(2) . . ?
C6_6 C5_6 Al9 128.7(3) . . ?
C5_6 C6_6 H6A_6 109.5 . . ?
C5_6 C6_6 H6B_6 109.5 . . ?
H6A_6 C6_6 H6B_6 109.5 . . ?
C5_6 C6_6 H6C_6 109.5 . . ?
H6A_6 C6_6 H6C_6 109.5 . . ?
H6B_6 C6_6 H6C_6 109.5 . . ?
C4_6 C7_6 H7A_6 109.5 . . ?
C4_6 C7_6 H7B_6 109.5 . . ?
H7A_6 C7_6 H7B_6 109.5 . . ?
C4_6 C7_6 H7C_6 109.5 . . ?
H7A_6 C7_6 H7C_6 109.5 . . ?
H7B_6 C7_6 H7C_6 109.5 . . ?
C3_6 C8_6 H8A_6 109.5 . . ?
C3_6 C8_6 H8B_6 109.5 . . ?
H8A_6 C8_6 H8B_6 109.5 . . ?
C3_6 C8_6 H8C_6 109.5 . . ?
H8A_6 C8_6 H8C_6 109.5 . . ?
H8B_6 C8_6 H8C_6 109.5 . . ?
C2_6 C9_6 H9A_6 109.5 . . ?
C2_6 C9_6 H9B_6 109.5 . . ?
H9A_6 C9_6 H9B_6 109.5 . . ?
C2_6 C9_6 H9C_6 109.5 . . ?
H9A_6 C9_6 H9C_6 109.5 . . ?
H9B_6 C9_6 H9C_6 109.5 . . ?
C1_6 C10_6 H10A_6 109.5 . . ?
C1_6 C10_6 H10B_6 109.5 . . ?
H10A_6 C10_6 H10B_6 109.5 . . ?
C1_6 C10_6 H10C_6 109.5 . . ?
H10A_6 C10_6 H10C_6 109.5 . . ?
H10B_6 C10_6 H10C_6 109.5 . . ?
C2_7 C1_7 C5_7 107.5(4) . . ?
C2_7 C1_7 C10_7 125.0(4) . . ?
C5_7 C1_7 C10_7 127.3(4) . . ?
C2_7 C1_7 Al4 71.3(2) . . ?
C5_7 C1_7 Al4 70.1(2) . . ?
C10_7 C1_7 Al4 126.9(3) . . ?
C1_7 C2_7 C3_7 108.4(4) . . ?
C1_7 C2_7 C9_7 125.3(4) . . ?
C3_7 C2_7 C9_7 125.9(4) . . ?
C1_7 C2_7 Al4 72.0(2) . . ?
C3_7 C2_7 Al4 70.5(2) . . ?
C9_7 C2_7 Al4 128.7(3) . . ?
C4_7 C3_7 C2_7 108.2(4) . . ?
C4_7 C3_7 C8_7 126.4(4) . . ?
C2_7 C3_7 C8_7 125.3(4) . . ?
C4_7 C3_7 Al4 70.5(2) . . ?
C2_7 C3_7 Al4 72.4(2) . . ?
C8_7 C3_7 Al4 124.9(3) . . ?
C3_7 C4_7 C5_7 107.5(4) . . ?
C3_7 C4_7 C7_7 127.6(4) . . ?
C5_7 C4_7 C7_7 124.8(4) . . ?
C3_7 C4_7 Al4 72.1(2) . . ?
C5_7 C4_7 Al4 72.0(2) . . ?
C7_7 C4_7 Al4 124.3(3) . . ?
C4_7 C5_7 C1_7 108.3(4) . . ?
C4_7 C5_7 C6_7 124.6(4) . . ?
C1_7 C5_7 C6_7 126.7(4) . . ?
C4_7 C5_7 Al4 70.4(2) . . ?
C1_7 C5_7 Al4 72.7(2) . . ?
C6_7 C5_7 Al4 128.9(3) . . ?
C5_7 C6_7 H6A_7 109.5 . . ?
C5_7 C6_7 H6B_7 109.5 . . ?
H6A_7 C6_7 H6B_7 109.5 . . ?
C5_7 C6_7 H6C_7 109.5 . . ?
H6A_7 C6_7 H6C_7 109.5 . . ?
H6B_7 C6_7 H6C_7 109.5 . . ?
C4_7 C7_7 H7A_7 109.5 . . ?
C4_7 C7_7 H7B_7 109.5 . . ?
H7A_7 C7_7 H7B_7 109.5 . . ?
C4_7 C7_7 H7C_7 109.5 . . ?
H7A_7 C7_7 H7C_7 109.5 . . ?
H7B_7 C7_7 H7C_7 109.5 . . ?
C3_7 C8_7 H8A_7 109.5 . . ?
C3_7 C8_7 H8B_7 109.5 . . ?
H8A_7 C8_7 H8B_7 109.5 . . ?
C3_7 C8_7 H8C_7 109.5 . . ?
H8A_7 C8_7 H8C_7 109.5 . . ?
H8B_7 C8_7 H8C_7 109.5 . . ?
C2_7 C9_7 H9A_7 109.5 . . ?
C2_7 C9_7 H9B_7 109.5 . . ?
H9A_7 C9_7 H9B_7 109.5 . . ?
C2_7 C9_7 H9C_7 109.5 . . ?
H9A_7 C9_7 H9C_7 109.5 . . ?
H9B_7 C9_7 H9C_7 109.5 . . ?
C1_7 C10_7 H10A_7 109.5 . . ?
C1_7 C10_7 H10B_7 109.5 . . ?
H10A_7 C10_7 H10B_7 109.5 . . ?
C1_7 C10_7 H10C_7 109.5 . . ?
H10A_7 C10_7 H10C_7 109.5 . . ?
H10B_7 C10_7 H10C_7 109.5 . . ?
C2_8 C1_8 C5_8 108.1(3) . . ?
C2_8 C1_8 C10_8 126.7(4) . . ?
C5_8 C1_8 C10_8 125.1(4) . . ?
C2_8 C1_8 Al5 71.4(2) . . ?
C5_8 C1_8 Al5 71.6(2) . . ?
C10_8 C1_8 Al5 124.1(3) . . ?
C1_8 C2_8 C3_8 107.4(3) . . ?
C1_8 C2_8 C9_8 126.1(4) . . ?
C3_8 C2_8 C9_8 126.3(4) . . ?
C1_8 C2_8 Al5 71.4(2) . . ?
C3_8 C2_8 Al5 71.5(2) . . ?
C9_8 C2_8 Al5 125.5(3) . . ?
C4_8 C3_8 C2_8 108.6(3) . . ?
C4_8 C3_8 C8_8 124.3(4) . . ?
C2_8 C3_8 C8_8 126.7(4) . . ?
C4_8 C3_8 Al5 72.2(2) . . ?
C2_8 C3_8 Al5 71.3(2) . . ?
C8_8 C3_8 Al5 128.1(3) . . ?
C5_8 C4_8 C3_8 107.7(3) . . ?
C5_8 C4_8 C7_8 127.3(4) . . ?
C3_8 C4_8 C7_8 125.0(4) . . ?
C5_8 C4_8 Al5 71.0(2) . . ?
C3_8 C4_8 Al5 70.8(2) . . ?
C7_8 C4_8 Al5 124.9(3) . . ?
C4_8 C5_8 C1_8 108.1(3) . . ?
C4_8 C5_8 C6_8 127.1(4) . . ?
C1_8 C5_8 C6_8 124.5(4) . . ?
C4_8 C5_8 Al5 72.2(2) . . ?
C1_8 C5_8 Al5 71.1(2) . . ?
C6_8 C5_8 Al5 126.9(3) . . ?
C5_8 C6_8 H6A_8 109.5 . . ?
C5_8 C6_8 H6B_8 109.5 . . ?
H6A_8 C6_8 H6B_8 109.5 . . ?
C5_8 C6_8 H6C_8 109.5 . . ?
H6A_8 C6_8 H6C_8 109.5 . . ?
H6B_8 C6_8 H6C_8 109.5 . . ?
C4_8 C7_8 H7A_8 109.5 . . ?
C4_8 C7_8 H7B_8 109.5 . . ?
H7A_8 C7_8 H7B_8 109.5 . . ?
C4_8 C7_8 H7C_8 109.5 . . ?
H7A_8 C7_8 H7C_8 109.5 . . ?
H7B_8 C7_8 H7C_8 109.5 . . ?
C3_8 C8_8 H8A_8 109.5 . . ?
C3_8 C8_8 H8B_8 109.5 . . ?
H8A_8 C8_8 H8B_8 109.5 . . ?
C3_8 C8_8 H8C_8 109.5 . . ?
H8A_8 C8_8 H8C_8 109.5 . . ?
H8B_8 C8_8 H8C_8 109.5 . . ?
C2_8 C9_8 H9A_8 109.5 . . ?
C2_8 C9_8 H9B_8 109.5 . . ?
H9A_8 C9_8 H9B_8 109.5 . . ?
C2_8 C9_8 H9C_8 109.5 . . ?
H9A_8 C9_8 H9C_8 109.5 . . ?
H9B_8 C9_8 H9C_8 109.5 . . ?
C1_8 C10_8 H10A_8 109.5 . . ?
C1_8 C10_8 H10B_8 109.5 . . ?
H10A_8 C10_8 H10B_8 109.5 . . ?
C1_8 C10_8 H10C_8 109.5 . . ?
H10A_8 C10_8 H10C_8 109.5 . . ?
H10B_8 C10_8 H10C_8 109.5 . . ?
C2_9 C1_9 C5_9 108.2(4) . . ?
C2_9 C1_9 C10_9 125.8(4) . . ?
C5_9 C1_9 C10_9 126.0(4) . . ?
C2_9 C1_9 Al6 71.6(2) . . ?
C5_9 C1_9 Al6 70.8(2) . . ?
C10_9 C1_9 Al6 125.3(3) . . ?
C1_9 C2_9 C3_9 107.8(4) . . ?
C1_9 C2_9 C9_9 127.2(4) . . ?
C3_9 C2_9 C9_9 124.9(4) . . ?
C1_9 C2_9 Al6 71.4(2) . . ?
C3_9 C2_9 Al6 70.6(2) . . ?
C9_9 C2_9 Al6 125.1(3) . . ?
C4_9 C3_9 C2_9 108.2(3) . . ?
C4_9 C3_9 C8_9 127.6(4) . . ?
C2_9 C3_9 C8_9 124.1(4) . . ?
C4_9 C3_9 Al6 70.9(2) . . ?
C2_9 C3_9 Al6 72.1(2) . . ?
C8_9 C3_9 Al6 125.7(3) . . ?
C3_9 C4_9 C5_9 107.9(4) . . ?
C3_9 C4_9 C7_9 126.6(4) . . ?
C5_9 C4_9 C7_9 125.6(4) . . ?
C3_9 C4_9 Al6 71.7(2) . . ?
C5_9 C4_9 Al6 71.7(2) . . ?
C7_9 C4_9 Al6 123.0(3) . . ?
C1_9 C5_9 C4_9 107.9(3) . . ?
C1_9 C5_9 C6_9 125.8(4) . . ?
C4_9 C5_9 C6_9 126.0(4) . . ?
C1_9 C5_9 Al6 71.9(2) . . ?
C4_9 C5_9 Al6 70.7(2) . . ?
C6_9 C5_9 Al6 127.8(3) . . ?
C5_9 C6_9 H6A_9 109.5 . . ?
C5_9 C6_9 H6B_9 109.5 . . ?
H6A_9 C6_9 H6B_9 109.5 . . ?
C5_9 C6_9 H6C_9 109.5 . . ?
H6A_9 C6_9 H6C_9 109.5 . . ?
H6B_9 C6_9 H6C_9 109.5 . . ?
C4_9 C7_9 H7A_9 109.5 . . ?
C4_9 C7_9 H7B_9 109.5 . . ?
H7A_9 C7_9 H7B_9 109.5 . . ?
C4_9 C7_9 H7C_9 109.5 . . ?
H7A_9 C7_9 H7C_9 109.5 . . ?
H7B_9 C7_9 H7C_9 109.5 . . ?
C3_9 C8_9 H8A_9 109.5 . . ?
C3_9 C8_9 H8B_9 109.5 . . ?
H8A_9 C8_9 H8B_9 109.5 . . ?
C3_9 C8_9 H8C_9 109.5 . . ?
H8A_9 C8_9 H8C_9 109.5 . . ?
H8B_9 C8_9 H8C_9 109.5 . . ?
C2_9 C9_9 H9A_9 109.5 . . ?
C2_9 C9_9 H9B_9 109.5 . . ?
H9A_9 C9_9 H9B_9 109.5 . . ?
C2_9 C9_9 H9C_9 109.5 . . ?
H9A_9 C9_9 H9C_9 109.5 . . ?
H9B_9 C9_9 H9C_9 109.5 . . ?
C1_9 C10_9 H10A_9 109.5 . . ?
C1_9 C10_9 H10B_9 109.5 . . ?
H10A_9 C10_9 H10B_9 109.5 . . ?
C1_9 C10_9 H10C_9 109.5 . . ?
H10A_9 C10_9 H10C_9 109.5 . . ?
H10B_9 C10_9 H10C_9 109.5 . . ?
C4_14 C5_14 C1_14 108.7(4) . . ?
C4_14 C5_14 C10_14 128.1(4) . . ?
C1_14 C5_14 C10_14 123.2(4) . . ?
C1_14 C6_14 H6A_14 109.5 . . ?
C1_14 C6_14 H6B_14 109.5 . . ?
H6A_14 C6_14 H6B_14 109.5 . . ?
C1_14 C6_14 H6C_14 109.5 . . ?
H6A_14 C6_14 H6C_14 109.5 . . ?
H6B_14 C6_14 H6C_14 109.5 . . ?
C2_14 C7_14 H7A_14 109.5 . . ?
C2_14 C7_14 H7B_14 109.5 . . ?
H7A_14 C7_14 H7B_14 109.5 . . ?
C2_14 C7_14 H7C_14 109.5 . . ?
H7A_14 C7_14 H7C_14 109.5 . . ?
H7B_14 C7_14 H7C_14 109.5 . . ?
C3_14 C8_14 H8A_14 109.5 . . ?
C3_14 C8_14 H8B_14 109.5 . . ?
H8A_14 C8_14 H8B_14 109.5 . . ?
C3_14 C8_14 H8C_14 109.5 . . ?
H8A_14 C8_14 H8C_14 109.5 . . ?
H8B_14 C8_14 H8C_14 109.5 . . ?
C4_14 C9_14 H9A_14 109.5 . . ?
C4_14 C9_14 H9B_14 109.5 . . ?
H9A_14 C9_14 H9B_14 109.5 . . ?
C4_14 C9_14 H9C_14 109.5 . . ?
H9A_14 C9_14 H9C_14 109.5 . . ?
H9B_14 C9_14 H9C_14 109.5 . . ?
C5_14 C10_14 H10A_14 109.5 . . ?
C5_14 C10_14 H10B_14 109.5 . . ?
H10A_14 C10_14 H10B_14 109.5 . . ?
C5_14 C10_14 H10C_14 109.5 . . ?
H10A_14 C10_14 H10C_14 109.5 . . ?
H10B_14 C10_14 H10C_14 109.5 . . ?
C5_14 C1_14 C2_14 103.4(3) . . ?
C5_14 C1_14 C6_14 115.7(4) . . ?
C2_14 C1_14 C6_14 115.4(4) . . ?
C5_14 C1_14 Si2 103.8(3) . . ?
C2_14 C1_14 Si2 106.7(3) . . ?
C6_14 C1_14 Si2 110.7(3) . . ?
C3_14 C2_14 C1_14 109.2(4) . . ?
C3_14 C2_14 C7_14 127.5(4) . . ?
C1_14 C2_14 C7_14 123.2(4) . . ?
C2_14 C3_14 C4_14 109.1(4) . . ?
C2_14 C3_14 C8_14 127.6(4) . . ?
C4_14 C3_14 C8_14 123.2(4) . . ?
C5_14 C4_14 C3_14 109.5(4) . . ?
C5_14 C4_14 C9_14 127.0(5) . . ?
C3_14 C4_14 C9_14 123.5(4) . . ?
C4_15 C5_15 C1_15 109.3(4) . . ?
C4_15 C5_15 C10_15 127.8(4) . . ?
C1_15 C5_15 C10_15 123.0(4) . . ?
C1_15 C6_15 H6A_15 109.5 . . ?
C1_15 C6_15 H6B_15 109.5 . . ?
H6A_15 C6_15 H6B_15 109.5 . . ?
C1_15 C6_15 H6C_15 109.5 . . ?
H6A_15 C6_15 H6C_15 109.5 . . ?
H6B_15 C6_15 H6C_15 109.5 . . ?
C2_15 C7_15 H7A_15 109.5 . . ?
C2_15 C7_15 H7B_15 109.5 . . ?
H7A_15 C7_15 H7B_15 109.5 . . ?
C2_15 C7_15 H7C_15 109.5 . . ?
H7A_15 C7_15 H7C_15 109.5 . . ?
H7B_15 C7_15 H7C_15 109.5 . . ?
C3_15 C8_15 H8A_15 109.5 . . ?
C3_15 C8_15 H8B_15 109.5 . . ?
H8A_15 C8_15 H8B_15 109.5 . . ?
C3_15 C8_15 H8C_15 109.5 . . ?
H8A_15 C8_15 H8C_15 109.5 . . ?
H8B_15 C8_15 H8C_15 109.5 . . ?
C4_15 C9_15 H9A_15 109.5 . . ?
C4_15 C9_15 H9B_15 109.5 . . ?
H9A_15 C9_15 H9B_15 109.5 . . ?
C4_15 C9_15 H9C_15 109.5 . . ?
H9A_15 C9_15 H9C_15 109.5 . . ?
H9B_15 C9_15 H9C_15 109.5 . . ?
C5_15 C10_15 H10A_15 109.5 . . ?
C5_15 C10_15 H10B_15 109.5 . . ?
H10A_15 C10_15 H10B_15 109.5 . . ?
C5_15 C10_15 H10C_15 109.5 . . ?
H10A_15 C10_15 H10C_15 109.5 . . ?
H10B_15 C10_15 H10C_15 109.5 . . ?
C5_15 C1_15 C2_15 103.5(3) . . ?
C5_15 C1_15 C6_15 118.5(4) . . ?
C2_15 C1_15 C6_15 117.3(4) . . ?
C5_15 C1_15 Si3 102.8(3) . . ?
C2_15 C1_15 Si3 102.8(3) . . ?
C6_15 C1_15 Si3 109.9(3) . . ?
C3_15 C2_15 C1_15 109.3(4) . . ?
C3_15 C2_15 C7_15 127.2(5) . . ?
C1_15 C2_15 C7_15 123.5(4) . . ?
C2_15 C3_15 C4_15 108.8(4) . . ?
C2_15 C3_15 C8_15 127.3(5) . . ?
C4_15 C3_15 C8_15 123.9(4) . . ?
C5_15 C4_15 C3_15 108.9(4) . . ?
C5_15 C4_15 C9_15 127.5(4) . . ?
C3_15 C4_15 C9_15 123.5(4) . . ?
C4_16 C5_16 C10_16 128.9(4) . . ?
C4_16 C5_16 C1_16 108.9(4) . . ?
C10_16 C5_16 C1_16 122.2(4) . . ?
C1_16 C6_16 H6A_16 109.5 . . ?
C1_16 C6_16 H6B_16 109.5 . . ?
H6A_16 C6_16 H6B_16 109.5 . . ?
C1_16 C6_16 H6C_16 109.5 . . ?
H6A_16 C6_16 H6C_16 109.5 . . ?
H6B_16 C6_16 H6C_16 109.5 . . ?
C2_16 C7_16 H7A_16 109.5 . . ?
C2_16 C7_16 H7B_16 109.5 . . ?
H7A_16 C7_16 H7B_16 109.5 . . ?
C2_16 C7_16 H7C_16 109.5 . . ?
H7A_16 C7_16 H7C_16 109.5 . . ?
H7B_16 C7_16 H7C_16 109.5 . . ?
C3_16 C8_16 H8A_16 109.5 . . ?
C3_16 C8_16 H8B_16 109.5 . . ?
H8A_16 C8_16 H8B_16 109.5 . . ?
C3_16 C8_16 H8C_16 109.5 . . ?
H8A_16 C8_16 H8C_16 109.5 . . ?
H8B_16 C8_16 H8C_16 109.5 . . ?
C4_16 C9_16 H9A_16 109.5 . . ?
C4_16 C9_16 H9B_16 109.5 . . ?
H9A_16 C9_16 H9B_16 109.5 . . ?
C4_16 C9_16 H9C_16 109.5 . . ?
H9A_16 C9_16 H9C_16 109.5 . . ?
H9B_16 C9_16 H9C_16 109.5 . . ?
C5_16 C10_16 H10A_16 109.5 . . ?
C5_16 C10_16 H10B_16 109.5 . . ?
H10A_16 C10_16 H10B_16 109.5 . . ?
C5_16 C10_16 H10C_16 109.5 . . ?
H10A_16 C10_16 H10C_16 109.5 . . ?
H10B_16 C10_16 H10C_16 109.5 . . ?
C2_16 C1_16 C5_16 103.5(3) . . ?
C2_16 C1_16 C6_16 118.3(4) . . ?
C5_16 C1_16 C6_16 117.0(4) . . ?
C2_16 C1_16 Si4 103.1(3) . . ?
C5_16 C1_16 Si4 102.4(3) . . ?
C6_16 C1_16 Si4 110.5(3) . . ?
C3_16 C2_16 C7_16 127.7(4) . . ?
C3_16 C2_16 C1_16 108.6(3) . . ?
C7_16 C2_16 C1_16 123.7(4) . . ?
C2_16 C3_16 C4_16 109.8(3) . . ?
C2_16 C3_16 C8_16 127.5(4) . . ?
C4_16 C3_16 C8_16 122.6(4) . . ?
C5_16 C4_16 C3_16 109.0(3) . . ?
C5_16 C4_16 C9_16 127.4(4) . . ?
C3_16 C4_16 C9_16 123.6(4) . . ?
C1_17 O1_17 Al13 150.3(16) . . ?
O1_17 C1_17 C2_17 109.8(11) . . ?
O1_17 C1_17 C4_17 107.5(11) . . ?
C2_17 C1_17 C4_17 112.8(8) . . ?
O1_17 C1_17 C3_17 109.0(11) . . ?
C2_17 C1_17 C3_17 108.8(7) . . ?
C4_17 C1_17 C3_17 108.8(7) . . ?
F1_17 C2_17 F2_17 104.0(9) . . ?
F1_17 C2_17 F3_17 111.4(9) . . ?
F2_17 C2_17 F3_17 106.2(10) . . ?
F1_17 C2_17 C1_17 110.9(8) . . ?
F2_17 C2_17 C1_17 115.2(9) . . ?
F3_17 C2_17 C1_17 109.0(8) . . ?
F5_17 C3_17 F6_17 104.5(8) . . ?
F5_17 C3_17 F4_17 111.2(9) . . ?
F6_17 C3_17 F4_17 112.7(10) . . ?
F5_17 C3_17 C1_17 111.4(7) . . ?
F6_17 C3_17 C1_17 110.9(8) . . ?
F4_17 C3_17 C1_17 106.3(8) . . ?
F7_17 C4_17 F8_17 105.7(9) . . ?
F7_17 C4_17 F9_17 112.3(10) . . ?
F8_17 C4_17 F9_17 109.1(10) . . ?
F7_17 C4_17 C1_17 110.6(8) . . ?
F8_17 C4_17 C1_17 113.1(9) . . ?
F9_17 C4_17 C1_17 106.3(8) . . ?
C1_18 O1_18 Al13 149.1(4) . . ?
O1_18 C1_18 C3_18 111.8(5) . . ?
O1_18 C1_18 C2_18 107.8(5) . . ?
C3_18 C1_18 C2_18 110.6(6) . . ?
O1_18 C1_18 C4_18 110.9(5) . . ?
C3_18 C1_18 C4_18 107.2(6) . . ?
C2_18 C1_18 C4_18 108.4(5) . . ?
F2_18 C2_18 F3_18 106.7(6) . . ?
F2_18 C2_18 F1_18 109.6(6) . . ?
F3_18 C2_18 F1_18 109.2(6) . . ?
F2_18 C2_18 C1_18 113.6(6) . . ?
F3_18 C2_18 C1_18 110.8(5) . . ?
F1_18 C2_18 C1_18 106.9(6) . . ?
F4_18 C3_18 F6_18 110.7(6) . . ?
F4_18 C3_18 F5_18 105.7(7) . . ?
F6_18 C3_18 F5_18 106.3(7) . . ?
F4_18 C3_18 C1_18 112.3(6) . . ?
F6_18 C3_18 C1_18 113.1(6) . . ?
F5_18 C3_18 C1_18 108.2(6) . . ?
F9_18 C4_18 F8_18 107.8(7) . . ?
F9_18 C4_18 F7_18 108.0(7) . . ?
F8_18 C4_18 F7_18 110.1(6) . . ?
F9_18 C4_18 C1_18 110.3(6) . . ?
F8_18 C4_18 C1_18 111.6(6) . . ?
F7_18 C4_18 C1_18 109.1(6) . . ?
C1_19 O1_19 Al13 151.5(16) . . ?
O1_19 C1_19 C3_19 107.8(11) . . ?
O1_19 C1_19 C2_19 111.3(11) . . ?
C3_19 C1_19 C2_19 112.1(8) . . ?
O1_19 C1_19 C4_19 111.2(10) . . ?
C3_19 C1_19 C4_19 108.8(7) . . ?
C2_19 C1_19 C4_19 105.6(7) . . ?
F1_19 C2_19 F3_19 106.5(10) . . ?
F1_19 C2_19 F2_19 109.8(10) . . ?
F3_19 C2_19 F2_19 111.6(10) . . ?
F1_19 C2_19 C1_19 112.7(8) . . ?
F3_19 C2_19 C1_19 110.2(9) . . ?
F2_19 C2_19 C1_19 106.1(9) . . ?
F5_19 C3_19 F4_19 109.3(9) . . ?
F5_19 C3_19 F6_19 105.7(9) . . ?
F4_19 C3_19 F6_19 109.7(10) . . ?
F5_19 C3_19 C1_19 108.3(8) . . ?
F4_19 C3_19 C1_19 111.8(8) . . ?
F6_19 C3_19 C1_19 111.9(9) . . ?
F8_19 C4_19 F9_19 107.4(8) . . ?
F8_19 C4_19 F7_19 105.8(9) . . ?
F9_19 C4_19 F7_19 108.0(8) . . ?
F8_19 C4_19 C1_19 115.3(8) . . ?
F9_19 C4_19 C1_19 110.7(7) . . ?
F7_19 C4_19 C1_19 109.4(7) . . ?
C1_20 O1_20 Al14 148.7(3) . . ?
O1_20 C1_20 C3_20 110.1(4) . . ?
O1_20 C1_20 C2_20 107.1(4) . . ?
C3_20 C1_20 C2_20 109.6(4) . . ?
O1_20 C1_20 C4_20 110.9(4) . . ?
C3_20 C1_20 C4_20 109.4(4) . . ?
C2_20 C1_20 C4_20 109.7(4) . . ?
F3_20 C2_20 F1_20 108.0(5) . . ?
F3_20 C2_20 F2_20 107.9(5) . . ?
F1_20 C2_20 F2_20 106.4(5) . . ?
F3_20 C2_20 C1_20 111.4(4) . . ?
F1_20 C2_20 C1_20 110.5(5) . . ?
F2_20 C2_20 C1_20 112.3(4) . . ?
F4_20 C3_20 F5_20 108.0(5) . . ?
F4_20 C3_20 F6_20 107.8(5) . . ?
F5_20 C3_20 F6_20 107.6(4) . . ?
F4_20 C3_20 C1_20 109.7(4) . . ?
F5_20 C3_20 C1_20 111.4(5) . . ?
F6_20 C3_20 C1_20 112.2(4) . . ?
F9_20 C4_20 F8_20 108.9(4) . . ?
F9_20 C4_20 F7_20 106.9(5) . . ?
F8_20 C4_20 F7_20 107.4(4) . . ?
F9_20 C4_20 C1_20 110.4(4) . . ?
F8_20 C4_20 C1_20 111.8(4) . . ?
F7_20 C4_20 C1_20 111.2(4) . . ?
C1_21 O1_21 Al14 145.5(14) . . ?
O1_21 C1_21 C2_21 111.3(9) . . ?
O1_21 C1_21 C4_21 108.6(9) . . ?
C2_21 C1_21 C4_21 109.8(7) . . ?
O1_21 C1_21 C3_21 109.6(9) . . ?
C2_21 C1_21 C3_21 109.8(7) . . ?
C4_21 C1_21 C3_21 107.6(7) . . ?
F2_21 C2_21 F1_21 107.9(8) . . ?
F2_21 C2_21 F3_21 108.9(8) . . ?
F1_21 C2_21 F3_21 106.6(8) . . ?
F2_21 C2_21 C1_21 114.2(8) . . ?
F1_21 C2_21 C1_21 109.7(7) . . ?
F3_21 C2_21 C1_21 109.4(7) . . ?
F4_21 C3_21 F6_21 107.9(8) . . ?
F4_21 C3_21 F5_21 107.8(8) . . ?
F6_21 C3_21 F5_21 106.7(8) . . ?
F4_21 C3_21 C1_21 111.7(7) . . ?
F6_21 C3_21 C1_21 112.6(8) . . ?
F5_21 C3_21 C1_21 109.9(7) . . ?
F7_21 C4_21 F9_21 105.8(8) . . ?
F7_21 C4_21 F8_21 108.7(8) . . ?
F9_21 C4_21 F8_21 108.2(9) . . ?
F7_21 C4_21 C1_21 111.2(7) . . ?
F9_21 C4_21 C1_21 110.6(7) . . ?
F8_21 C4_21 C1_21 112.1(9) . . ?
C1_22 O1_22 Al14 152.1(3) . . ?
O1_22 C1_22 C4_22 111.5(4) . . ?
O1_22 C1_22 C2_22 109.1(4) . . ?
C4_22 C1_22 C2_22 110.0(4) . . ?
O1_22 C1_22 C3_22 107.5(4) . . ?
C4_22 C1_22 C3_22 109.8(5) . . ?
C2_22 C1_22 C3_22 109.0(4) . . ?
F3_22 C2_22 F2_22 107.6(4) . . ?
F3_22 C2_22 F1_22 106.5(5) . . ?
F2_22 C2_22 F1_22 105.9(4) . . ?
F3_22 C2_22 C1_22 113.0(4) . . ?
F2_22 C2_22 C1_22 113.9(4) . . ?
F1_22 C2_22 C1_22 109.3(4) . . ?
F6_22 C3_22 F4_22 107.9(6) . . ?
F6_22 C3_22 F5_22 106.4(6) . . ?
F4_22 C3_22 F5_22 107.9(7) . . ?
F6_22 C3_22 C1_22 113.4(6) . . ?
F4_22 C3_22 C1_22 110.8(5) . . ?
F5_22 C3_22 C1_22 110.1(6) . . ?
F9_22 C4_22 F7_22 106.1(5) . . ?
F9_22 C4_22 F8_22 111.2(6) . . ?
F7_22 C4_22 F8_22 106.0(5) . . ?
F9_22 C4_22 C1_22 110.7(4) . . ?
F7_22 C4_22 C1_22 111.1(5) . . ?
F8_22 C4_22 C1_22 111.5(5) . . ?
C1_23 O1_23 Al15 149.4(5) . . ?
O1_23 C1_23 C2_23 109.9(5) . . ?
O1_23 C1_23 C3_23 108.7(5) . . ?
C2_23 C1_23 C3_23 108.4(5) . . ?
O1_23 C1_23 C4_23 111.4(5) . . ?
C2_23 C1_23 C4_23 109.1(5) . . ?
C3_23 C1_23 C4_23 109.2(5) . . ?
F3_23 C2_23 F1_23 106.8(5) . . ?
F3_23 C2_23 F2_23 107.9(6) . . ?
F1_23 C2_23 F2_23 108.0(6) . . ?
F3_23 C2_23 C1_23 111.2(5) . . ?
F1_23 C2_23 C1_23 110.5(5) . . ?
F2_23 C2_23 C1_23 112.2(5) . . ?
F5_23 C3_23 F4_23 107.9(6) . . ?
F5_23 C3_23 F6_23 108.9(6) . . ?
F4_23 C3_23 F6_23 106.3(6) . . ?
F5_23 C3_23 C1_23 111.7(5) . . ?
F4_23 C3_23 C1_23 110.4(6) . . ?
F6_23 C3_23 C1_23 111.5(6) . . ?
F8_23 C4_23 F7_23 107.4(6) . . ?
F8_23 C4_23 F9_23 108.4(7) . . ?
F7_23 C4_23 F9_23 106.4(6) . . ?
F8_23 C4_23 C1_23 114.0(5) . . ?
F7_23 C4_23 C1_23 110.8(6) . . ?
F9_23 C4_23 C1_23 109.5(5) . . ?
C1_24 O1_24 Al15 151.1(5) . . ?
O1_24 C1_24 C2_24 111.6(6) . . ?
O1_24 C1_24 C4_24 110.2(6) . . ?
C2_24 C1_24 C4_24 110.7(6) . . ?
O1_24 C1_24 C3_24 108.8(6) . . ?
C2_24 C1_24 C3_24 108.6(6) . . ?
C4_24 C1_24 C3_24 106.8(6) . . ?
F3_24 C2_24 F2_24 108.6(7) . . ?
F3_24 C2_24 F1_24 106.7(7) . . ?
F2_24 C2_24 F1_24 103.9(6) . . ?
F3_24 C2_24 C1_24 112.3(6) . . ?
F2_24 C2_24 C1_24 114.9(7) . . ?
F1_24 C2_24 C1_24 109.8(6) . . ?
F4_24 C3_24 F5_24 107.2(8) . . ?
F4_24 C3_24 F6_24 108.3(7) . . ?
F5_24 C3_24 F6_24 106.7(7) . . ?
F4_24 C3_24 C1_24 112.1(6) . . ?
F5_24 C3_24 C1_24 110.8(7) . . ?
F6_24 C3_24 C1_24 111.5(7) . . ?
F8_24 C4_24 F9_24 106.3(7) . . ?
F8_24 C4_24 F7_24 109.3(6) . . ?
F9_24 C4_24 F7_24 107.8(7) . . ?
F8_24 C4_24 C1_24 113.6(6) . . ?
F9_24 C4_24 C1_24 109.5(6) . . ?
F7_24 C4_24 C1_24 110.1(6) . . ?
C1_25 O1_25 Al15 159.4(15) . . ?
O1_25 C1_25 C2_25 118.0(11) . . ?
O1_25 C1_25 C3_25 106.0(11) . . ?
C2_25 C1_25 C3_25 112.5(9) . . ?
O1_25 C1_25 C4_25 105.8(10) . . ?
C2_25 C1_25 C4_25 105.5(8) . . ?
C3_25 C1_25 C4_25 108.6(9) . . ?
F1_25 C2_25 F3_25 96.9(9) . . ?
F1_25 C2_25 F2_25 119.4(11) . . ?
F3_25 C2_25 F2_25 105.1(10) . . ?
F1_25 C2_25 C1_25 116.7(9) . . ?
F3_25 C2_25 C1_25 105.2(9) . . ?
F2_25 C2_25 C1_25 110.6(9) . . ?
F5_25 C3_25 F6_25 105.5(10) . . ?
F5_25 C3_25 F4_25 114.9(11) . . ?
F6_25 C3_25 F4_25 101.5(10) . . ?
F5_25 C3_25 C1_25 110.7(9) . . ?
F6_25 C3_25 C1_25 112.9(10) . . ?
F4_25 C3_25 C1_25 110.9(9) . . ?
F7_25 C4_25 F8_25 109.1(11) . . ?
F7_25 C4_25 F9_25 102.9(11) . . ?
F8_25 C4_25 F9_25 113.7(11) . . ?
F7_25 C4_25 C1_25 113.6(10) . . ?
F8_25 C4_25 C1_25 111.5(9) . . ?
F9_25 C4_25 C1_25 105.9(9) . . ?
C1_26 O1_26 Al16 146.6(14) . . ?
O1_26 C1_26 C2_26 110.9(12) . . ?
O1_26 C1_26 C4_26 106.6(10) . . ?
C2_26 C1_26 C4_26 109.6(8) . . ?
O1_26 C1_26 C3_26 110.6(11) . . ?
C2_26 C1_26 C3_26 111.2(8) . . ?
C4_26 C1_26 C3_26 107.7(8) . . ?
F3_26 C2_26 F2_26 115.0(11) . . ?
F3_26 C2_26 F1_26 93.3(10) . . ?
F2_26 C2_26 F1_26 96.6(10) . . ?
F3_26 C2_26 C1_26 118.8(9) . . ?
F2_26 C2_26 C1_26 118.3(10) . . ?
F1_26 C2_26 C1_26 107.8(9) . . ?
F6_26 C3_26 F5_26 109.9(10) . . ?
F6_26 C3_26 F4_26 103.9(10) . . ?
F5_26 C3_26 F4_26 106.4(10) . . ?
F6_26 C3_26 C1_26 114.1(9) . . ?
F5_26 C3_26 C1_26 112.4(8) . . ?
F4_26 C3_26 C1_26 109.5(9) . . ?
F7_26 C4_26 F8_26 105.8(10) . . ?
F7_26 C4_26 F9_26 115.0(10) . . ?
F8_26 C4_26 F9_26 104.9(10) . . ?
F7_26 C4_26 C1_26 110.7(8) . . ?
F8_26 C4_26 C1_26 111.1(9) . . ?
F9_26 C4_26 C1_26 109.1(9) . . ?
C1_30 O1_30 Al17 147.1(3) . . ?
O1_30 C1_30 C2_30 108.9(4) . . ?
O1_30 C1_30 C4_30 107.8(4) . . ?
C2_30 C1_30 C4_30 109.8(4) . . ?
O1_30 C1_30 C3_30 111.1(4) . . ?
C2_30 C1_30 C3_30 108.5(4) . . ?
C4_30 C1_30 C3_30 110.7(4) . . ?
F3_30 C2_30 F1_30 106.2(5) . . ?
F3_30 C2_30 F2_30 108.3(5) . . ?
F1_30 C2_30 F2_30 107.0(4) . . ?
F3_30 C2_30 C1_30 111.3(4) . . ?
F1_30 C2_30 C1_30 111.8(4) . . ?
F2_30 C2_30 C1_30 111.9(4) . . ?
F4_30 C3_30 F6_30 109.5(6) . . ?
F4_30 C3_30 F5_30 107.4(5) . . ?
F6_30 C3_30 F5_30 107.6(5) . . ?
F4_30 C3_30 C1_30 109.3(4) . . ?
F6_30 C3_30 C1_30 111.0(5) . . ?
F5_30 C3_30 C1_30 111.9(5) . . ?
F9_30 C4_30 F7_30 108.1(5) . . ?
F9_30 C4_30 F8_30 107.1(4) . . ?
F7_30 C4_30 F8_30 107.8(5) . . ?
F9_30 C4_30 C1_30 111.5(4) . . ?
F7_30 C4_30 C1_30 109.9(4) . . ?
F8_30 C4_30 C1_30 112.3(4) . . ?
C1_31 O1_31 Al17 154.3(5) . . ?
O1_31 C1_31 C4_31 111.1(5) . . ?
O1_31 C1_31 C2_31 112.8(5) . . ?
C4_31 C1_31 C2_31 107.8(5) . . ?
O1_31 C1_31 C3_31 107.4(5) . . ?
C4_31 C1_31 C3_31 107.7(5) . . ?
C2_31 C1_31 C3_31 110.0(5) . . ?
F3_31 C2_31 F1_31 107.3(6) . . ?
F3_31 C2_31 F2_31 109.2(7) . . ?
F1_31 C2_31 F2_31 107.9(6) . . ?
F3_31 C2_31 C1_31 110.2(6) . . ?
F1_31 C2_31 C1_31 110.1(5) . . ?
F2_31 C2_31 C1_31 112.0(6) . . ?
F5_31 C3_31 F6_31 106.2(6) . . ?
F5_31 C3_31 F4_31 109.7(6) . . ?
F6_31 C3_31 F4_31 106.1(6) . . ?
F5_31 C3_31 C1_31 110.0(6) . . ?
F6_31 C3_31 C1_31 113.2(5) . . ?
F4_31 C3_31 C1_31 111.5(5) . . ?
F9_31 C4_31 F7_31 110.0(7) . . ?
F9_31 C4_31 F8_31 105.6(6) . . ?
F7_31 C4_31 F8_31 107.2(6) . . ?
F9_31 C4_31 C1_31 110.3(6) . . ?
F7_31 C4_31 C1_31 111.0(6) . . ?
F8_31 C4_31 C1_31 112.6(6) . . ?
C1_32 O1_32 Al18 150.6(6) . . ?
O1_32 C1_32 C2_32 110.7(5) . . ?
O1_32 C1_32 C4_32 110.3(5) . . ?
C2_32 C1_32 C4_32 109.2(5) . . ?
O1_32 C1_32 C3_32 108.5(5) . . ?
C2_32 C1_32 C3_32 110.5(5) . . ?
C4_32 C1_32 C3_32 107.5(5) . . ?
F1_32 C2_32 F3_32 106.4(6) . . ?
F1_32 C2_32 F2_32 107.9(5) . . ?
F3_32 C2_32 F2_32 107.1(6) . . ?
F1_32 C2_32 C1_32 112.7(5) . . ?
F3_32 C2_32 C1_32 110.7(6) . . ?
F2_32 C2_32 C1_32 111.8(6) . . ?
F4_32 C3_32 F5_32 109.3(6) . . ?
F4_32 C3_32 F6_32 106.3(6) . . ?
F5_32 C3_32 F6_32 104.7(5) . . ?
F4_32 C3_32 C1_32 112.0(5) . . ?
F5_32 C3_32 C1_32 111.9(5) . . ?
F6_32 C3_32 C1_32 112.2(6) . . ?
F9_32 C4_32 F8_32 111.9(7) . . ?
F9_32 C4_32 F7_32 104.5(6) . . ?
F8_32 C4_32 F7_32 105.7(6) . . ?
F9_32 C4_32 C1_32 111.2(5) . . ?
F8_32 C4_32 C1_32 112.3(5) . . ?
F7_32 C4_32 C1_32 110.7(6) . . ?
C1_33 O1_33 Al18 146.6(12) . . ?
O1_33 C1_33 C4_33 110.2(8) . . ?
O1_33 C1_33 C2_33 112.3(8) . . ?
C4_33 C1_33 C2_33 108.6(7) . . ?
O1_33 C1_33 C3_33 108.5(9) . . ?
C4_33 C1_33 C3_33 105.7(6) . . ?
C2_33 C1_33 C3_33 111.4(7) . . ?
F3_33 C2_33 F2_33 110.4(8) . . ?
F3_33 C2_33 F1_33 106.2(8) . . ?
F2_33 C2_33 F1_33 103.6(7) . . ?
F3_33 C2_33 C1_33 112.5(8) . . ?
F2_33 C2_33 C1_33 115.2(7) . . ?
F1_33 C2_33 C1_33 108.0(7) . . ?
F4_33 C3_33 F6_33 110.4(8) . . ?
F4_33 C3_33 F5_33 102.8(9) . . ?
F6_33 C3_33 F5_33 107.6(8) . . ?
F4_33 C3_33 C1_33 112.8(7) . . ?
F6_33 C3_33 C1_33 115.6(8) . . ?
F5_33 C3_33 C1_33 106.6(7) . . ?
F9_33 C4_33 F8_33 111.8(7) . . ?
F9_33 C4_33 F7_33 103.9(7) . . ?
F8_33 C4_33 F7_33 106.9(6) . . ?
F9_33 C4_33 C1_33 112.7(6) . . ?
F8_33 C4_33 C1_33 111.6(6) . . ?
F7_33 C4_33 C1_33 109.5(7) . . ?
C1_35 O1_35 Al19 147.4(5) . . ?
O1_35 C1_35 C2_35 109.4(5) . . ?
O1_35 C1_35 C3_35 111.5(5) . . ?
C2_35 C1_35 C3_35 110.8(5) . . ?
O1_35 C1_35 C4_35 106.7(5) . . ?
C2_35 C1_35 C4_35 109.7(5) . . ?
C3_35 C1_35 C4_35 108.6(5) . . ?
F3_35 C2_35 F2_35 106.7(6) . . ?
F3_35 C2_35 F1_35 107.6(6) . . ?
F2_35 C2_35 F1_35 108.5(5) . . ?
F3_35 C2_35 C1_35 111.1(5) . . ?
F2_35 C2_35 C1_35 112.3(5) . . ?
F1_35 C2_35 C1_35 110.5(6) . . ?
F4_35 C3_35 F6_35 109.0(5) . . ?
F4_35 C3_35 F5_35 105.7(5) . . ?
F6_35 C3_35 F5_35 107.4(5) . . ?
F4_35 C3_35 C1_35 111.9(5) . . ?
F6_35 C3_35 C1_35 113.0(5) . . ?
F5_35 C3_35 C1_35 109.5(5) . . ?
F9_35 C4_35 F7_35 108.8(6) . . ?
F9_35 C4_35 F8_35 107.7(5) . . ?
F7_35 C4_35 F8_35 107.6(5) . . ?
F9_35 C4_35 C1_35 111.1(5) . . ?
F7_35 C4_35 C1_35 110.0(5) . . ?
F8_35 C4_35 C1_35 111.5(5) . . ?
C1_36 O1_36 Al19 150.2(5) . . ?
O1_36 C1_36 C2_36 108.5(5) . . ?
O1_36 C1_36 C3_36 110.6(5) . . ?
C2_36 C1_36 C3_36 109.8(4) . . ?
O1_36 C1_36 C4_36 108.8(4) . . ?
C2_36 C1_36 C4_36 109.2(4) . . ?
C3_36 C1_36 C4_36 110.0(4) . . ?
F3_36 C2_36 F1_36 107.3(5) . . ?
F3_36 C2_36 F2_36 107.7(5) . . ?
F1_36 C2_36 F2_36 107.4(5) . . ?
F3_36 C2_36 C1_36 111.2(5) . . ?
F1_36 C2_36 C1_36 111.2(5) . . ?
F2_36 C2_36 C1_36 111.8(5) . . ?
F4_36 C3_36 F6_36 108.4(5) . . ?
F4_36 C3_36 F5_36 107.1(5) . . ?
F6_36 C3_36 F5_36 106.4(5) . . ?
F4_36 C3_36 C1_36 111.2(4) . . ?
F6_36 C3_36 C1_36 112.4(5) . . ?
F5_36 C3_36 C1_36 110.9(5) . . ?
F9_36 C4_36 F8_36 107.7(4) . . ?
F9_36 C4_36 F7_36 107.8(4) . . ?
F8_36 C4_36 F7_36 107.8(4) . . ?
F9_36 C4_36 C1_36 111.0(4) . . ?
F8_36 C4_36 C1_36 112.9(4) . . ?
F7_36 C4_36 C1_36 109.4(4) . . ?
C1_37 O1_37 Al19 144.2(3) . . ?
O1_37 C1_37 C2_37 110.3(4) . . ?
O1_37 C1_37 C4_37 108.7(4) . . ?
C2_37 C1_37 C4_37 108.8(4) . . ?
O1_37 C1_37 C3_37 110.5(4) . . ?
C2_37 C1_37 C3_37 109.5(4) . . ?
C4_37 C1_37 C3_37 109.0(4) . . ?
F2_37 C2_37 F1_37 107.5(5) . . ?
F2_37 C2_37 F3_37 107.7(5) . . ?
F1_37 C2_37 F3_37 107.3(5) . . ?
F2_37 C2_37 C1_37 113.2(5) . . ?
F1_37 C2_37 C1_37 111.0(5) . . ?
F3_37 C2_37 C1_37 109.8(4) . . ?
F4_37 C3_37 F5_37 107.6(5) . . ?
F4_37 C3_37 F6_37 108.7(5) . . ?
F5_37 C3_37 F6_37 106.7(5) . . ?
F4_37 C3_37 C1_37 110.9(4) . . ?
F5_37 C3_37 C1_37 110.5(5) . . ?
F6_37 C3_37 C1_37 112.1(4) . . ?
F9_37 C4_37 F7_37 107.9(5) . . ?
F9_37 C4_37 F8_37 107.2(5) . . ?
F7_37 C4_37 F8_37 107.4(5) . . ?
F9_37 C4_37 C1_37 110.7(4) . . ?
F7_37 C4_37 C1_37 111.0(5) . . ?
F8_37 C4_37 C1_37 112.5(4) . . ?
C1_38 O1_38 Al20 153.2(5) . . ?
O1_38 C1_38 C3_38 111.1(5) . . ?
O1_38 C1_38 C4_38 109.4(5) . . ?
C3_38 C1_38 C4_38 110.3(5) . . ?
O1_38 C1_38 C2_38 107.3(5) . . ?
C3_38 C1_38 C2_38 109.6(5) . . ?
C4_38 C1_38 C2_38 109.2(4) . . ?
F3_38 C2_38 F1_38 107.5(5) . . ?
F3_38 C2_38 F2_38 107.7(5) . . ?
F1_38 C2_38 F2_38 107.0(5) . . ?
F3_38 C2_38 C1_38 111.3(5) . . ?
F1_38 C2_38 C1_38 111.2(5) . . ?
F2_38 C2_38 C1_38 111.9(5) . . ?
F6_38 C3_38 F4_38 107.8(5) . . ?
F6_38 C3_38 F5_38 109.3(5) . . ?
F4_38 C3_38 F5_38 106.6(5) . . ?
F6_38 C3_38 C1_38 113.4(5) . . ?
F4_38 C3_38 C1_38 109.6(5) . . ?
F5_38 C3_38 C1_38 109.8(5) . . ?
F9_38 C4_38 F8_38 108.5(6) . . ?
F9_38 C4_38 F7_38 106.9(6) . . ?
F8_38 C4_38 F7_38 107.9(5) . . ?
F9_38 C4_38 C1_38 111.6(5) . . ?
F8_38 C4_38 C1_38 111.6(5) . . ?
F7_38 C4_38 C1_38 110.2(5) . . ?
C1_39 O1_39 Al20 144.8(4) . . ?
O1_39 C1_39 C4_39 108.3(5) . . ?
O1_39 C1_39 C2_39 109.6(5) . . ?
C4_39 C1_39 C2_39 109.2(5) . . ?
O1_39 C1_39 C3_39 111.2(5) . . ?
C4_39 C1_39 C3_39 109.2(5) . . ?
C2_39 C1_39 C3_39 109.4(5) . . ?
F1_39 C2_39 F3_39 107.9(5) . . ?
F1_39 C2_39 F2_39 107.7(5) . . ?
F3_39 C2_39 F2_39 108.0(5) . . ?
F1_39 C2_39 C1_39 110.4(5) . . ?
F3_39 C2_39 C1_39 109.9(5) . . ?
F2_39 C2_39 C1_39 112.8(5) . . ?
F4_39 C3_39 F5_39 107.0(6) . . ?
F4_39 C3_39 F6_39 108.3(6) . . ?
F5_39 C3_39 F6_39 107.4(5) . . ?
F4_39 C3_39 C1_39 110.7(5) . . ?
F5_39 C3_39 C1_39 111.3(5) . . ?
F6_39 C3_39 C1_39 112.0(5) . . ?
F9_39 C4_39 F7_39 106.9(6) . . ?
F9_39 C4_39 F8_39 107.2(5) . . ?
F7_39 C4_39 F8_39 108.4(5) . . ?
F9_39 C4_39 C1_39 111.6(5) . . ?
F7_39 C4_39 C1_39 110.9(5) . . ?
F8_39 C4_39 C1_39 111.6(5) . . ?
C1_40 O1_40 Al20 147.6(9) . . ?
O1_40 C1_40 C4_40 107.9(7) . . ?
O1_40 C1_40 C3_40 111.3(7) . . ?
C4_40 C1_40 C3_40 110.5(6) . . ?
O1_40 C1_40 C2_40 109.9(7) . . ?
C4_40 C1_40 C2_40 108.2(6) . . ?
C3_40 C1_40 C2_40 108.9(6) . . ?
F1_40 C2_40 F2_40 106.5(7) . . ?
F1_40 C2_40 F3_40 106.2(7) . . ?
F2_40 C2_40 F3_40 109.9(7) . . ?
F1_40 C2_40 C1_40 112.7(7) . . ?
F2_40 C2_40 C1_40 112.4(6) . . ?
F3_40 C2_40 C1_40 109.1(6) . . ?
F6_40 C3_40 F4_40 107.7(8) . . ?
F6_40 C3_40 F5_40 107.3(7) . . ?
F4_40 C3_40 F5_40 104.7(7) . . ?
F6_40 C3_40 C1_40 113.1(6) . . ?
F4_40 C3_40 C1_40 111.2(7) . . ?
F5_40 C3_40 C1_40 112.4(7) . . ?
F9_40 C4_40 F7_40 104.8(8) . . ?
F9_40 C4_40 F8_40 106.9(6) . . ?
F7_40 C4_40 F8_40 109.3(7) . . ?
F9_40 C4_40 C1_40 113.3(6) . . ?
F7_40 C4_40 C1_40 111.4(6) . . ?
F8_40 C4_40 C1_40 110.8(7) . . ?
C1_28 O1_28 Al16 147.5(10) . . ?
O1_28 C1_28 C4_28 105.7(9) . . ?
O1_28 C1_28 C3_28 110.5(9) . . ?
C4_28 C1_28 C3_28 111.3(8) . . ?
O1_28 C1_28 C2_28 111.0(9) . . ?
C4_28 C1_28 C2_28 107.7(8) . . ?
C3_28 C1_28 C2_28 110.4(8) . . ?
F3_28 C2_28 F1_28 111.1(10) . . ?
F3_28 C2_28 F2_28 109.5(10) . . ?
F1_28 C2_28 F2_28 102.4(10) . . ?
F3_28 C2_28 C1_28 112.9(9) . . ?
F1_28 C2_28 C1_28 109.8(9) . . ?
F2_28 C2_28 C1_28 110.6(9) . . ?
F6_28 C3_28 F5_28 106.4(9) . . ?
F6_28 C3_28 F4_28 105.8(10) . . ?
F5_28 C3_28 F4_28 104.3(9) . . ?
F6_28 C3_28 C1_28 119.3(10) . . ?
F5_28 C3_28 C1_28 111.0(8) . . ?
F4_28 C3_28 C1_28 109.0(8) . . ?
C3_28 F5_28 F3_27 118.2(8) . . ?
F9_28 C4_28 F8_28 111.9(9) . . ?
F9_28 C4_28 F7_28 99.0(9) . . ?
F8_28 C4_28 F7_28 100.0(9) . . ?
F9_28 C4_28 C1_28 117.7(9) . . ?
F8_28 C4_28 C1_28 115.1(9) . . ?
F7_28 C4_28 C1_28 110.2(9) . . ?
C1_34 O1_34 Al18 151(2) . . ?
O1_34 C1_34 C2_34 108.1(14) . . ?
O1_34 C1_34 C3_34 108.6(14) . . ?
C2_34 C1_34 C3_34 108.4(10) . . ?
O1_34 C1_34 C4_34 102.8(13) . . ?
C2_34 C1_34 C4_34 113.5(10) . . ?
C3_34 C1_34 C4_34 114.9(11) . . ?
F3_34 C2_34 F2_34 111.7(13) . . ?
F3_34 C2_34 F1_34 107.2(13) . . ?
F2_34 C2_34 F1_34 98.1(12) . . ?
F3_34 C2_34 C1_34 115.4(11) . . ?
F2_34 C2_34 C1_34 113.5(12) . . ?
F1_34 C2_34 C1_34 109.3(11) . . ?
F6_34 C3_34 F4_34 105.9(12) . . ?
F6_34 C3_34 F5_34 107.5(13) . . ?
F4_34 C3_34 F5_34 98.4(12) . . ?
F6_34 C3_34 C1_34 120.6(12) . . ?
F4_34 C3_34 C1_34 113.2(11) . . ?
F5_34 C3_34 C1_34 108.9(11) . . ?
F8_34 C4_34 F9_34 122.7(14) . . ?
F8_34 C4_34 F7_34 100.9(12) . . ?
F9_34 C4_34 F7_34 108.5(13) . . ?
F8_34 C4_34 C1_34 111.3(12) . . ?
F9_34 C4_34 C1_34 107.6(11) . . ?
F7_34 C4_34 C1_34 104.2(11) . . ?
C1_27 O1_27 Al16 150.3(17) . . ?
O1_27 C1_27 C4_27 113.7(12) . . ?
O1_27 C1_27 C2_27 111.7(13) . . ?
C4_27 C1_27 C2_27 108.6(10) . . ?
O1_27 C1_27 C3_27 108.8(12) . . ?
C4_27 C1_27 C3_27 107.4(10) . . ?
C2_27 C1_27 C3_27 106.4(10) . . ?
F1_27 C2_27 F2_27 113.7(13) . . ?
F1_27 C2_27 F3_27 98.5(12) . . ?
F2_27 C2_27 F3_27 100.8(11) . . ?
F1_27 C2_27 C1_27 115.7(12) . . ?
F2_27 C2_27 C1_27 113.8(12) . . ?
F3_27 C2_27 C1_27 112.2(11) . . ?
C2_27 F3_27 F5_28 158.7(11) . . ?
F6_27 C3_27 F4_27 112.8(13) . . ?
F6_27 C3_27 F5_27 110.2(13) . . ?
F4_27 C3_27 F5_27 102.2(12) . . ?
F6_27 C3_27 C1_27 112.5(12) . . ?
F4_27 C3_27 C1_27 111.2(11) . . ?
F5_27 C3_27 C1_27 107.2(11) . . ?
F7_27 C4_27 F9_27 112.1(13) . . ?
F7_27 C4_27 F8_27 107.9(13) . . ?
F9_27 C4_27 F8_27 99.9(12) . . ?
F7_27 C4_27 C1_27 109.8(11) . . ?
F9_27 C4_27 C1_27 113.8(12) . . ?
F8_27 C4_27 C1_27 112.8(11) . . ?
C1_41 O1_41 Al16 144.5(11) . . ?
O1_41 C1_41 C3_41 111.0(10) . . ?
O1_41 C1_41 C4_41 113.1(10) . . ?
C3_41 C1_41 C4_41 107.5(9) . . ?
O1_41 C1_41 C2_41 109.0(10) . . ?
C3_41 C1_41 C2_41 110.4(9) . . ?
C4_41 C1_41 C2_41 105.7(9) . . ?
F3_41 C2_41 F2_41 104.4(10) . . ?
F3_41 C2_41 F1_41 116.2(12) . . ?
F2_41 C2_41 F1_41 109.8(10) . . ?
F3_41 C2_41 C1_41 108.7(9) . . ?
F2_41 C2_41 C1_41 110.5(10) . . ?
F1_41 C2_41 C1_41 107.3(9) . . ?
F4_41 C3_41 F6_41 105.7(11) . . ?
F4_41 C3_41 F5_41 107.2(11) . . ?
F6_41 C3_41 F5_41 117.2(11) . . ?
F4_41 C3_41 C1_41 110.3(10) . . ?
F6_41 C3_41 C1_41 110.4(10) . . ?
F5_41 C3_41 C1_41 105.9(10) . . ?
F9_41 C4_41 F8_41 106.7(10) . . ?
F9_41 C4_41 F7_41 105.5(10) . . ?
F8_41 C4_41 F7_41 111.8(10) . . ?
F9_41 C4_41 C1_41 112.7(10) . . ?
F8_41 C4_41 C1_41 110.0(9) . . ?
F7_41 C4_41 C1_41 110.0(9) . . ?
C1_42 O1_42 Al20 145.3(11) . . ?
O1_42 C1_42 C3_42 108.6(10) . . ?
O1_42 C1_42 C2_42 109.7(11) . . ?
C3_42 C1_42 C2_42 110.0(10) . . ?
O1_42 C1_42 C4_42 110.3(11) . . ?
C3_42 C1_42 C4_42 109.0(10) . . ?
C2_42 C1_42 C4_42 109.2(10) . . ?
F1_42 C2_42 F3_42 108.4(11) . . ?
F1_42 C2_42 F2_42 106.2(11) . . ?
F3_42 C2_42 F2_42 106.3(11) . . ?
F1_42 C2_42 C1_42 111.6(10) . . ?
F3_42 C2_42 C1_42 111.4(10) . . ?
F2_42 C2_42 C1_42 112.6(11) . . ?
F6_42 C3_42 F5_42 107.8(12) . . ?
F6_42 C3_42 F4_42 107.0(12) . . ?
F5_42 C3_42 F4_42 106.9(12) . . ?
F6_42 C3_42 C1_42 113.4(11) . . ?
F5_42 C3_42 C1_42 110.6(10) . . ?
F4_42 C3_42 C1_42 110.9(11) . . ?
F9_42 C4_42 F7_42 108.4(13) . . ?
F9_42 C4_42 F8_42 107.8(12) . . ?
F7_42 C4_42 F8_42 107.1(13) . . ?
F9_42 C4_42 C1_42 110.2(11) . . ?
F7_42 C4_42 C1_42 111.2(13) . . ?
F8_42 C4_42 C1_42 112.0(11) . . ?
C1_43 O1_43 Al19 145(2) . . ?
O1_43 C1_43 C2_43 109.7(16) . . ?
O1_43 C1_43 C3_43 109.3(16) . . ?
C2_43 C1_43 C3_43 110.5(11) . . ?
O1_43 C1_43 C4_43 108.9(15) . . ?
C2_43 C1_43 C4_43 109.2(11) . . ?
C3_43 C1_43 C4_43 109.2(11) . . ?
F3_43 C2_43 F2_43 107.1(14) . . ?
F3_43 C2_43 F1_43 106.3(15) . . ?
F2_43 C2_43 F1_43 109.2(15) . . ?
F3_43 C2_43 C1_43 112.4(13) . . ?
F2_43 C2_43 C1_43 112.2(13) . . ?
F1_43 C2_43 C1_43 109.5(13) . . ?
F6_43 C3_43 F4_43 108.1(15) . . ?
F6_43 C3_43 F5_43 104.7(15) . . ?
F4_43 C3_43 F5_43 110.0(14) . . ?
F6_43 C3_43 C1_43 113.5(13) . . ?
F4_43 C3_43 C1_43 109.6(12) . . ?
F5_43 C3_43 C1_43 110.9(13) . . ?
F9_43 C4_43 F8_43 108.4(14) . . ?
F9_43 C4_43 F7_43 108.2(15) . . ?
F8_43 C4_43 F7_43 108.7(16) . . ?
F9_43 C4_43 C1_43 111.3(13) . . ?
F8_43 C4_43 C1_43 110.4(13) . . ?
F7_43 C4_43 C1_43 109.7(13) . . ?
C1_44 O1_44 Al18 148(2) . . ?
O1_44 C1_44 C2_44 109.3(16) . . ?
O1_44 C1_44 C4_44 108.5(15) . . ?
C2_44 C1_44 C4_44 113.7(11) . . ?
O1_44 C1_44 C3_44 112.3(15) . . ?
C2_44 C1_44 C3_44 105.2(10) . . ?
C4_44 C1_44 C3_44 107.9(10) . . ?
F3_44 C2_44 F1_44 109.6(14) . . ?
F3_44 C2_44 F2_44 103.0(12) . . ?
F1_44 C2_44 F2_44 107.2(13) . . ?
F3_44 C2_44 C1_44 112.8(12) . . ?
F1_44 C2_44 C1_44 108.4(11) . . ?
F2_44 C2_44 C1_44 115.6(13) . . ?
F6_44 C3_44 F4_44 109.8(13) . . ?
F6_44 C3_44 F5_44 108.7(11) . . ?
F4_44 C3_44 F5_44 109.7(12) . . ?
F6_44 C3_44 C1_44 111.2(11) . . ?
F4_44 C3_44 C1_44 107.8(10) . . ?
F5_44 C3_44 C1_44 109.7(10) . . ?
F8_44 C4_44 F9_44 107.8(13) . . ?
F8_44 C4_44 F7_44 106.4(12) . . ?
F9_44 C4_44 F7_44 105.2(11) . . ?
F8_44 C4_44 C1_44 113.9(13) . . ?
F9_44 C4_44 C1_44 110.0(10) . . ?
F7_44 C4_44 C1_44 113.1(11) . . ?
C1_45 O1_45 Al18 151.2(15) . . ?
O1_45 C1_45 C4_45 105.9(11) . . ?
O1_45 C1_45 C2_45 106.8(12) . . ?
C4_45 C1_45 C2_45 115.2(10) . . ?
O1_45 C1_45 C3_45 108.5(12) . . ?
C4_45 C1_45 C3_45 106.5(9) . . ?
C2_45 C1_45 C3_45 113.5(10) . . ?
F2_45 C2_45 F1_45 109.7(12) . . ?
F2_45 C2_45 F3_45 106.6(11) . . ?
F1_45 C2_45 F3_45 109.9(12) . . ?
F2_45 C2_45 C1_45 111.6(11) . . ?
F1_45 C2_45 C1_45 110.5(10) . . ?
F3_45 C2_45 C1_45 108.6(10) . . ?
F5_45 C3_45 F4_45 112.9(12) . . ?
F5_45 C3_45 F6_45 107.7(11) . . ?
F4_45 C3_45 F6_45 105.6(11) . . ?
F5_45 C3_45 C1_45 111.2(10) . . ?
F4_45 C3_45 C1_45 109.8(10) . . ?
F6_45 C3_45 C1_45 109.4(10) . . ?
F8_45 C4_45 F7_45 94.3(11) . . ?
F8_45 C4_45 F9_45 105.2(11) . . ?
F7_45 C4_45 F9_45 113.5(12) . . ?
F8_45 C4_45 C1_45 117.2(11) . . ?
F7_45 C4_45 C1_45 116.3(11) . . ?
F9_45 C4_45 C1_45 109.4(9) . . ?
C1_46 O1_46 Al15 148(3) . . ?
O1_46 C1_46 C4_46 111.4(17) . . ?
O1_46 C1_46 C2_46 108.2(16) . . ?
C4_46 C1_46 C2_46 116.7(12) . . ?
O1_46 C1_46 C3_46 114.1(18) . . ?
C4_46 C1_46 C3_46 106.0(11) . . ?
C2_46 C1_46 C3_46 100.2(10) . . ?
F1_46 C2_46 F2_46 108.0(14) . . ?
F1_46 C2_46 F3_46 98.9(14) . . ?
F2_46 C2_46 F3_46 113.1(15) . . ?
F1_46 C2_46 C1_46 111.8(13) . . ?
F2_46 C2_46 C1_46 113.0(13) . . ?
F3_46 C2_46 C1_46 111.1(12) . . ?
F4_46 C3_46 F6_46 109.5(14) . . ?
F4_46 C3_46 F5_46 117.5(16) . . ?
F6_46 C3_46 F5_46 108.4(15) . . ?
F4_46 C3_46 C1_46 111.8(13) . . ?
F6_46 C3_46 C1_46 114.8(13) . . ?
F5_46 C3_46 C1_46 94.2(11) . . ?
F8_46 C4_46 F9_46 108.4(14) . . ?
F8_46 C4_46 F7_46 106.3(14) . . ?
F9_46 C4_46 F7_46 105.8(14) . . ?
F8_46 C4_46 C1_46 111.6(13) . . ?
F9_46 C4_46 C1_46 118.4(14) . . ?
F7_46 C4_46 C1_46 105.6(13) . . ?
C1_47 O1_47 Al16 156(2) . . ?
O1_47 C1_47 C2_47 110.5(13) . . ?
O1_47 C1_47 C4_47 111.2(13) . . ?
C2_47 C1_47 C4_47 110.4(10) . . ?
O1_47 C1_47 C3_47 107.4(13) . . ?
C2_47 C1_47 C3_47 108.1(9) . . ?
C4_47 C1_47 C3_47 109.2(10) . . ?
F2_47 C2_47 F3_47 111.9(12) . . ?
F2_47 C2_47 F1_47 101.7(11) . . ?
F3_47 C2_47 F1_47 110.0(12) . . ?
F2_47 C2_47 C1_47 114.1(12) . . ?
F3_47 C2_47 C1_47 110.8(10) . . ?
F1_47 C2_47 C1_47 107.9(10) . . ?
F4_47 C3_47 F6_47 108.5(11) . . ?
F4_47 C3_47 F5_47 112.1(11) . . ?
F6_47 C3_47 F5_47 107.0(10) . . ?
F4_47 C3_47 C1_47 111.6(10) . . ?
F6_47 C3_47 C1_47 109.4(10) . . ?
F5_47 C3_47 C1_47 108.1(10) . . ?
F7_47 C4_47 F8_47 102.0(11) . . ?
F7_47 C4_47 F9_47 115.7(13) . . ?
F8_47 C4_47 F9_47 112.3(12) . . ?
F7_47 C4_47 C1_47 110.2(11) . . ?
F8_47 C4_47 C1_47 112.5(11) . . ?
F9_47 C4_47 C1_47 104.4(10) . . ?
C1_48 O1_48 Al13 152(2) . . ?
O1_48 C1_48 C3_48 112.2(13) . . ?
O1_48 C1_48 C2_48 107.7(13) . . ?
C3_48 C1_48 C2_48 110.9(9) . . ?
O1_48 C1_48 C4_48 107.2(14) . . ?
C3_48 C1_48 C4_48 108.4(9) . . ?
C2_48 C1_48 C4_48 110.5(9) . . ?
F1_48 C2_48 F3_48 112.5(11) . . ?
F1_48 C2_48 F2_48 107.4(10) . . ?
F3_48 C2_48 F2_48 101.5(11) . . ?
F1_48 C2_48 C1_48 110.3(9) . . ?
F3_48 C2_48 C1_48 112.2(10) . . ?
F2_48 C2_48 C1_48 112.6(11) . . ?
F5_48 C3_48 F4_48 107.4(11) . . ?
F5_48 C3_48 F6_48 104.4(11) . . ?
F4_48 C3_48 F6_48 108.4(11) . . ?
F5_48 C3_48 C1_48 113.9(10) . . ?
F4_48 C3_48 C1_48 110.8(9) . . ?
F6_48 C3_48 C1_48 111.6(10) . . ?
F8_48 C4_48 F7_48 107.8(13) . . ?
F8_48 C4_48 F9_48 112.6(12) . . ?
F7_48 C4_48 F9_48 109.3(12) . . ?
F8_48 C4_48 C1_48 110.4(11) . . ?
F7_48 C4_48 C1_48 109.0(10) . . ?
F9_48 C4_48 C1_48 107.7(10) . . ?
C4_48 F9_48 F4_58 164.7(16) . . ?
C1_49 O1_49 Al15 150.9(10) . . ?
O1_49 C1_49 C3_49 108.9(10) . . ?
O1_49 C1_49 C2_49 109.8(11) . . ?
C3_49 C1_49 C2_49 109.5(10) . . ?
O1_49 C1_49 C4_49 110.5(10) . . ?
C3_49 C1_49 C4_49 110.8(10) . . ?
C2_49 C1_49 C4_49 107.5(10) . . ?
F3_49 C2_49 F2_49 114.2(14) . . ?
F3_49 C2_49 F1_49 105.0(13) . . ?
F2_49 C2_49 F1_49 105.8(13) . . ?
F3_49 C2_49 C1_49 110.7(11) . . ?
F2_49 C2_49 C1_49 111.4(12) . . ?
F1_49 C2_49 C1_49 109.2(11) . . ?
F4_49 C3_49 F6_49 108.7(12) . . ?
F4_49 C3_49 F5_49 106.6(13) . . ?
F6_49 C3_49 F5_49 105.8(12) . . ?
F4_49 C3_49 C1_49 111.9(11) . . ?
F6_49 C3_49 C1_49 111.8(11) . . ?
F5_49 C3_49 C1_49 111.7(11) . . ?
F9_49 C4_49 F7_49 104.0(12) . . ?
F9_49 C4_49 F8_49 111.7(12) . . ?
F7_49 C4_49 F8_49 106.2(13) . . ?
F9_49 C4_49 C1_49 111.4(10) . . ?
F7_49 C4_49 C1_49 110.3(11) . . ?
F8_49 C4_49 C1_49 112.7(11) . . ?
C1_50 O1_50 Al16 153(2) . . ?
O1_50 C1_50 C4_50 110.3(14) . . ?
O1_50 C1_50 C2_50 107.1(14) . . ?
C4_50 C1_50 C2_50 115.1(10) . . ?
O1_50 C1_50 C3_50 109.8(15) . . ?
C4_50 C1_50 C3_50 105.3(9) . . ?
C2_50 C1_50 C3_50 109.1(9) . . ?
F1_50 C2_50 F2_50 106.2(11) . . ?
F1_50 C2_50 F3_50 111.4(12) . . ?
F2_50 C2_50 F3_50 107.6(12) . . ?
F1_50 C2_50 C1_50 112.6(10) . . ?
F2_50 C2_50 C1_50 112.2(10) . . ?
F3_50 C2_50 C1_50 106.9(10) . . ?
F5_50 C3_50 F6_50 104.3(11) . . ?
F5_50 C3_50 F4_50 111.6(12) . . ?
F6_50 C3_50 F4_50 106.2(11) . . ?
F5_50 C3_50 C1_50 113.1(10) . . ?
F6_50 C3_50 C1_50 112.4(10) . . ?
F4_50 C3_50 C1_50 109.0(11) . . ?
F9_50 C4_50 F8_50 115.5(11) . . ?
F9_50 C4_50 F7_50 100.5(10) . . ?
F8_50 C4_50 F7_50 99.9(11) . . ?
F9_50 C4_50 C1_50 112.8(10) . . ?
F8_50 C4_50 C1_50 116.1(10) . . ?
F7_50 C4_50 C1_50 109.7(9) . . ?
C1_51 O1_51 Al20 150(2) . . ?
O1_51 C1_51 C2_51 110.8(16) . . ?
O1_51 C1_51 C3_51 108.1(14) . . ?
C2_51 C1_51 C3_51 109.3(11) . . ?
O1_51 C1_51 C4_51 109.1(15) . . ?
C2_51 C1_51 C4_51 111.6(11) . . ?
C3_51 C1_51 C4_51 107.9(11) . . ?
F1_51 C2_51 F2_51 105.6(14) . . ?
F1_51 C2_51 F3_51 104.7(15) . . ?
F2_51 C2_51 F3_51 108.0(15) . . ?
F1_51 C2_51 C1_51 113.4(13) . . ?
F2_51 C2_51 C1_51 113.6(13) . . ?
F3_51 C2_51 C1_51 111.0(13) . . ?
F5_51 C3_51 F4_51 102.9(14) . . ?
F5_51 C3_51 F6_51 105.1(14) . . ?
F4_51 C3_51 F6_51 107.0(14) . . ?
F5_51 C3_51 C1_51 115.8(13) . . ?
F4_51 C3_51 C1_51 113.3(12) . . ?
F6_51 C3_51 C1_51 111.9(12) . . ?
F8_51 C4_51 F9_51 110.1(14) . . ?
F8_51 C4_51 F7_51 111.9(15) . . ?
F9_51 C4_51 F7_51 104.1(14) . . ?
F8_51 C4_51 C1_51 112.5(13) . . ?
F9_51 C4_51 C1_51 108.4(12) . . ?
F7_51 C4_51 C1_51 109.3(13) . . ?
C1_52 O1_52 Al20 154.7(15) . . ?
O1_52 C1_52 C2_52 110.1(12) . . ?
O1_52 C1_52 C3_52 110.0(12) . . ?
C2_52 C1_52 C3_52 111.0(10) . . ?
O1_52 C1_52 C4_52 105.4(12) . . ?
C2_52 C1_52 C4_52 111.2(10) . . ?
C3_52 C1_52 C4_52 109.0(11) . . ?
F2_52 C2_52 F3_52 108.9(14) . . ?
F2_52 C2_52 F1_52 109.0(13) . . ?
F3_52 C2_52 F1_52 108.9(13) . . ?
F2_52 C2_52 C1_52 110.7(12) . . ?
F3_52 C2_52 C1_52 107.1(12) . . ?
F1_52 C2_52 C1_52 112.2(12) . . ?
F4_52 C3_52 F6_52 106.7(14) . . ?
F4_52 C3_52 F5_52 104.7(13) . . ?
F6_52 C3_52 F5_52 108.4(14) . . ?
F4_52 C3_52 C1_52 112.2(12) . . ?
F6_52 C3_52 C1_52 111.4(12) . . ?
F5_52 C3_52 C1_52 113.0(13) . . ?
F8_52 C4_52 F9_52 110.9(16) . . ?
F8_52 C4_52 F7_52 107.7(14) . . ?
F9_52 C4_52 F7_52 106.4(14) . . ?
F8_52 C4_52 C1_52 111.5(12) . . ?
F9_52 C4_52 C1_52 108.0(14) . . ?
F7_52 C4_52 C1_52 112.3(12) . . ?
C1_53 O1_53 Al19 154.0(18) . . ?
O1_53 C1_53 C2_53 108.5(13) . . ?
O1_53 C1_53 C3_53 110.0(14) . . ?
C2_53 C1_53 C3_53 109.2(11) . . ?
O1_53 C1_53 C4_53 108.3(13) . . ?
C2_53 C1_53 C4_53 111.0(11) . . ?
C3_53 C1_53 C4_53 109.8(11) . . ?
F1_53 C2_53 F2_53 108.1(15) . . ?
F1_53 C2_53 F3_53 108.8(16) . . ?
F2_53 C2_53 F3_53 107.0(15) . . ?
F1_53 C2_53 C1_53 110.2(13) . . ?
F2_53 C2_53 C1_53 112.0(14) . . ?
F3_53 C2_53 C1_53 110.5(13) . . ?
F5_53 C3_53 F4_53 106.3(16) . . ?
F5_53 C3_53 F6_53 108.6(15) . . ?
F4_53 C3_53 F6_53 105.8(15) . . ?
F5_53 C3_53 C1_53 112.7(14) . . ?
F4_53 C3_53 C1_53 110.2(13) . . ?
F6_53 C3_53 C1_53 112.9(13) . . ?
F7_53 C4_53 F8_53 107.2(16) . . ?
F7_53 C4_53 F9_53 108.1(15) . . ?
F8_53 C4_53 F9_53 109.5(16) . . ?
F7_53 C4_53 C1_53 110.4(13) . . ?
F8_53 C4_53 C1_53 111.4(14) . . ?
F9_53 C4_53 C1_53 110.2(14) . . ?
C1_54 O1_54 Al20 171(3) . . ?
O1_54 C1_54 C3_54 114.8(16) . . ?
O1_54 C1_54 C2_54 107.8(15) . . ?
C3_54 C1_54 C2_54 108.8(11) . . ?
O1_54 C1_54 C4_54 108.2(16) . . ?
C3_54 C1_54 C4_54 108.8(11) . . ?
C2_54 C1_54 C4_54 108.4(11) . . ?
F1_54 C2_54 F3_54 106.9(15) . . ?
F1_54 C2_54 F2_54 109.6(15) . . ?
F3_54 C2_54 F2_54 107.2(15) . . ?
F1_54 C2_54 C1_54 110.6(13) . . ?
F3_54 C2_54 C1_54 111.0(13) . . ?
F2_54 C2_54 C1_54 111.3(13) . . ?
F4_54 C3_54 F5_54 108.1(14) . . ?
F4_54 C3_54 F6_54 106.6(15) . . ?
F5_54 C3_54 F6_54 104.9(14) . . ?
F4_54 C3_54 C1_54 112.1(14) . . ?
F5_54 C3_54 C1_54 112.4(13) . . ?
F6_54 C3_54 C1_54 112.3(13) . . ?
F8_54 C4_54 F9_54 107.4(15) . . ?
F8_54 C4_54 F7_54 110.3(16) . . ?
F9_54 C4_54 F7_54 107.5(15) . . ?
F8_54 C4_54 C1_54 111.6(13) . . ?
F9_54 C4_54 C1_54 110.3(13) . . ?
F7_54 C4_54 C1_54 109.7(13) . . ?
C1_29 O1_29 Al17 147.6(9) . . ?
O1_29 C1_29 C2_29 107.9(7) . . ?
O1_29 C1_29 C4_29 112.0(7) . . ?
C2_29 C1_29 C4_29 109.2(6) . . ?
O1_29 C1_29 C3_29 110.4(7) . . ?
C2_29 C1_29 C3_29 109.0(5) . . ?
C4_29 C1_29 C3_29 108.4(6) . . ?
F3_29 C2_29 F2_29 108.3(6) . . ?
F3_29 C2_29 F1_29 107.0(6) . . ?
F2_29 C2_29 F1_29 106.4(6) . . ?
F3_29 C2_29 C1_29 113.6(6) . . ?
F2_29 C2_29 C1_29 112.5(6) . . ?
F1_29 C2_29 C1_29 108.6(6) . . ?
F6_29 C3_29 F4_29 109.2(6) . . ?
F6_29 C3_29 F5_29 109.3(6) . . ?
F4_29 C3_29 F5_29 105.8(6) . . ?
F6_29 C3_29 C1_29 113.4(6) . . ?
F4_29 C3_29 C1_29 108.7(6) . . ?
F5_29 C3_29 C1_29 110.3(6) . . ?
F9_29 C4_29 F7_29 110.5(7) . . ?
F9_29 C4_29 F8_29 106.9(7) . . ?
F7_29 C4_29 F8_29 109.7(7) . . ?
F9_29 C4_29 C1_29 109.7(6) . . ?
F7_29 C4_29 C1_29 108.4(7) . . ?
F8_29 C4_29 C1_29 111.6(6) . . ?
C1_55 O1_55 Al17 149(2) . . ?
O1_55 C1_55 C4_55 107.7(14) . . ?
O1_55 C1_55 C2_55 107.7(15) . . ?
C4_55 C1_55 C2_55 110.3(11) . . ?
O1_55 C1_55 C3_55 111.7(16) . . ?
C4_55 C1_55 C3_55 110.7(11) . . ?
C2_55 C1_55 C3_55 108.8(11) . . ?
F2_55 C2_55 F3_55 108.4(14) . . ?
F2_55 C2_55 F1_55 107.0(14) . . ?
F3_55 C2_55 F1_55 106.8(14) . . ?
F2_55 C2_55 C1_55 112.7(13) . . ?
F3_55 C2_55 C1_55 111.3(13) . . ?
F1_55 C2_55 C1_55 110.3(13) . . ?
F4_55 C3_55 F6_55 109.2(18) . . ?
F4_55 C3_55 F5_55 105.0(17) . . ?
F6_55 C3_55 F5_55 108.3(15) . . ?
F4_55 C3_55 C1_55 110.8(18) . . ?
F6_55 C3_55 C1_55 112.6(14) . . ?
F5_55 C3_55 C1_55 110.7(13) . . ?
F7_55 C4_55 F9_55 107.6(15) . . ?
F7_55 C4_55 F8_55 106.9(15) . . ?
F9_55 C4_55 F8_55 107.0(15) . . ?
F7_55 C4_55 C1_55 112.2(14) . . ?
F9_55 C4_55 C1_55 111.0(13) . . ?
F8_55 C4_55 C1_55 111.9(13) . . ?
C1_56 O1_56 Al18 154.2(17) . . ?
O1_56 C1_56 C2_56 116.2(12) . . ?
O1_56 C1_56 C4_56 109.4(13) . . ?
C2_56 C1_56 C4_56 108.9(11) . . ?
O1_56 C1_56 C3_56 107.2(11) . . ?
C2_56 C1_56 C3_56 109.4(11) . . ?
C4_56 C1_56 C3_56 105.2(10) . . ?
F3_56 C2_56 F2_56 105.7(18) . . ?
F3_56 C2_56 F1_56 102.0(16) . . ?
F2_56 C2_56 F1_56 114.9(17) . . ?
F3_56 C2_56 C1_56 115.7(18) . . ?
F2_56 C2_56 C1_56 111.4(15) . . ?
F1_56 C2_56 C1_56 107.0(13) . . ?
F6_56 C3_56 F4_56 105.8(13) . . ?
F6_56 C3_56 F5_56 116.1(14) . . ?
F4_56 C3_56 F5_56 107.1(14) . . ?
F6_56 C3_56 C1_56 109.3(12) . . ?
F4_56 C3_56 C1_56 111.5(12) . . ?
F5_56 C3_56 C1_56 107.1(12) . . ?
F9_56 C4_56 F7_56 115.1(13) . . ?
F9_56 C4_56 F8_56 109.9(13) . . ?
F7_56 C4_56 F8_56 111.1(13) . . ?
F9_56 C4_56 C1_56 109.4(11) . . ?
F7_56 C4_56 C1_56 103.1(12) . . ?
F8_56 C4_56 C1_56 107.8(12) . . ?
C1_57 O1_57 Al13 149(2) . . ?
O1_57 C1_57 C2_57 111.1(14) . . ?
O1_57 C1_57 C4_57 108.9(14) . . ?
C2_57 C1_57 C4_57 109.2(9) . . ?
O1_57 C1_57 C3_57 108.8(15) . . ?
C2_57 C1_57 C3_57 109.6(9) . . ?
C4_57 C1_57 C3_57 109.2(9) . . ?
F2_57 C2_57 F3_57 102.3(11) . . ?
F2_57 C2_57 F1_57 99.7(12) . . ?
F3_57 C2_57 F1_57 116.8(13) . . ?
F2_57 C2_57 C1_57 113.6(11) . . ?
F3_57 C2_57 C1_57 110.5(9) . . ?
F1_57 C2_57 C1_57 113.0(11) . . ?
F6_57 C3_57 F4_57 101.9(10) . . ?
F6_57 C3_57 F5_57 106.7(12) . . ?
F4_57 C3_57 F5_57 116.6(11) . . ?
F6_57 C3_57 C1_57 112.3(11) . . ?
F4_57 C3_57 C1_57 110.0(9) . . ?
F5_57 C3_57 C1_57 109.3(11) . . ?
F9_57 C4_57 F8_57 106.0(12) . . ?
F9_57 C4_57 F7_57 113.0(11) . . ?
F8_57 C4_57 F7_57 111.6(12) . . ?
F9_57 C4_57 C1_57 110.7(10) . . ?
F8_57 C4_57 C1_57 108.8(11) . . ?
F7_57 C4_57 C1_57 106.8(11) . . ?
C1_58 O1_58 Al14 152(3) . . ?
O1_58 C1_58 C2_58 110.0(17) . . ?
O1_58 C1_58 C3_58 110.4(17) . . ?
C2_58 C1_58 C3_58 110.4(13) . . ?
O1_58 C1_58 C4_58 110.9(18) . . ?
C2_58 C1_58 C4_58 109.3(13) . . ?
C3_58 C1_58 C4_58 105.8(14) . . ?
F3_58 C2_58 F2_58 105.3(18) . . ?
F3_58 C2_58 F1_58 109.8(19) . . ?
F2_58 C2_58 F1_58 107.6(18) . . ?
F3_58 C2_58 C1_58 111.3(18) . . ?
F2_58 C2_58 C1_58 111.0(16) . . ?
F1_58 C2_58 C1_58 111.4(16) . . ?
F4_58 C3_58 F5_58 106.2(18) . . ?
F4_58 C3_58 F6_58 107(2) . . ?
F5_58 C3_58 F6_58 108(2) . . ?
F4_58 C3_58 C1_58 113.9(17) . . ?
F5_58 C3_58 C1_58 111.2(17) . . ?
F6_58 C3_58 C1_58 110.1(18) . . ?
C3_58 F4_58 F9_48 130(2) . . ?
F9_58 C4_58 F8_58 109.2(19) . . ?
F9_58 C4_58 F7_58 109(2) . . ?
F8_58 C4_58 F7_58 105.4(18) . . ?
F9_58 C4_58 C1_58 112.3(18) . . ?
F8_58 C4_58 C1_58 113.6(17) . . ?
F7_58 C4_58 C1_58 107.1(16) . . ?
C1_59 O1_59 Al13 160(3) . . ?
O1_59 C1_59 C4_59 110.5(17) . . ?
O1_59 C1_59 C3_59 109.5(16) . . ?
C4_59 C1_59 C3_59 112.9(13) . . ?
O1_59 C1_59 C2_59 109.3(16) . . ?
C4_59 C1_59 C2_59 106.1(13) . . ?
C3_59 C1_59 C2_59 108.3(13) . . ?
F3_59 C2_59 F1_59 107.4(18) . . ?
F3_59 C2_59 F2_59 110.0(19) . . ?
F1_59 C2_59 F2_59 109.0(18) . . ?
F3_59 C2_59 C1_59 108.9(16) . . ?
F1_59 C2_59 C1_59 110.6(16) . . ?
F2_59 C2_59 C1_59 110.9(16) . . ?
F6_59 C3_59 F4_59 106.4(17) . . ?
F6_59 C3_59 F5_59 109.1(17) . . ?
F4_59 C3_59 F5_59 109.1(17) . . ?
F6_59 C3_59 C1_59 110.5(16) . . ?
F4_59 C3_59 C1_59 112.5(16) . . ?
F5_59 C3_59 C1_59 109.1(15) . . ?
F9_59 C4_59 F7_59 111.1(19) . . ?
F9_59 C4_59 F8_59 104.9(18) . . ?
F7_59 C4_59 F8_59 109.0(18) . . ?
F9_59 C4_59 C1_59 107.5(15) . . ?
F7_59 C4_59 C1_59 111.8(16) . . ?
F8_59 C4_59 C1_59 112.3(17) . . ?
C1_60 O1_60 Al17 164(3) . . ?
O1_60 C1_60 C2_60 109.7(17) . . ?
O1_60 C1_60 C4_60 107.1(17) . . ?
C2_60 C1_60 C4_60 111.9(11) . . ?
O1_60 C1_60 C3_60 108.0(17) . . ?
C2_60 C1_60 C3_60 112.2(12) . . ?
C4_60 C1_60 C3_60 107.7(11) . . ?
F2_60 C2_60 F1_60 103.3(15) . . ?
F2_60 C2_60 F3_60 110.5(16) . . ?
F1_60 C2_60 F3_60 103.0(15) . . ?
F2_60 C2_60 C1_60 115.4(14) . . ?
F1_60 C2_60 C1_60 113.9(13) . . ?
F3_60 C2_60 C1_60 109.9(14) . . ?
F4_60 C3_60 F6_60 108.2(15) . . ?
F4_60 C3_60 F5_60 105.2(15) . . ?
F6_60 C3_60 F5_60 108.0(15) . . ?
F4_60 C3_60 C1_60 109.8(13) . . ?
F6_60 C3_60 C1_60 114.0(14) . . ?
F5_60 C3_60 C1_60 111.3(14) . . ?
F9_60 C4_60 F8_60 106.0(15) . . ?
F9_60 C4_60 F7_60 108.5(15) . . ?
F8_60 C4_60 F7_60 107.7(16) . . ?
F9_60 C4_60 C1_60 110.2(14) . . ?
F8_60 C4_60 C1_60 110.2(13) . . ?
F7_60 C4_60 C1_60 113.9(15) . . ?
C1_61 O1_61 Al16 149.9(13) . . ?
O1_61 C1_61 C2_61 110.4(10) . . ?
O1_61 C1_61 C4_61 114.1(11) . . ?
C2_61 C1_61 C4_61 112.2(9) . . ?
O1_61 C1_61 C3_61 105.2(10) . . ?
C2_61 C1_61 C3_61 110.1(9) . . ?
C4_61 C1_61 C3_61 104.5(9) . . ?
F3_61 C2_61 F2_61 112.6(11) . . ?
F3_61 C2_61 F1_61 99.2(10) . . ?
F2_61 C2_61 F1_61 99.5(10) . . ?
F3_61 C2_61 C1_61 117.1(9) . . ?
F2_61 C2_61 C1_61 116.9(10) . . ?
F1_61 C2_61 C1_61 108.0(10) . . ?
F6_61 C3_61 F4_61 108.1(11) . . ?
F6_61 C3_61 F5_61 106.1(11) . . ?
F4_61 C3_61 F5_61 116.1(12) . . ?
F6_61 C3_61 C1_61 111.5(10) . . ?
F4_61 C3_61 C1_61 108.7(10) . . ?
F5_61 C3_61 C1_61 106.4(10) . . ?
F9_61 C4_61 F8_61 109.2(11) . . ?
F9_61 C4_61 F7_61 102.8(11) . . ?
F8_61 C4_61 F7_61 109.6(10) . . ?
F9_61 C4_61 C1_61 113.2(10) . . ?
F8_61 C4_61 C1_61 113.1(10) . . ?
F7_61 C4_61 C1_61 108.4(10) . . ?
C1D_62 Si1_62 Al2_62 141.83(15) . . ?
C1D_62 Si1_62 Al3_62 139.88(14) . . ?
Al2_62 Si1_62 Al3_62 68.10(6) . . ?
C1D_62 Si1_62 Al1_62 136.41(15) . . ?
Al2_62 Si1_62 Al1_62 68.84(6) . . ?
Al3_62 Si1_62 Al1_62 68.87(5) . . ?
C4C_62 Al1_62 C3C_62 37.34(18) . . ?
C4C_62 Al1_62 C5C_62 37.06(16) . . ?
C3C_62 Al1_62 C5C_62 61.83(17) . . ?
C4C_62 Al1_62 C1C_62 61.41(18) . . ?
C3C_62 Al1_62 C1C_62 60.99(18) . . ?
C5C_62 Al1_62 C1C_62 36.80(16) . . ?
C4C_62 Al1_62 C2C_62 61.50(18) . . ?
C3C_62 Al1_62 C2C_62 36.34(18) . . ?
C5C_62 Al1_62 C2C_62 61.45(17) . . ?
C1C_62 Al1_62 C2C_62 36.49(16) . . ?
C4C_62 Al1_62 Si1_62 127.89(14) . . ?
C3C_62 Al1_62 Si1_62 115.12(13) . . ?
C5C_62 Al1_62 Si1_62 160.15(14) . . ?
C1C_62 Al1_62 Si1_62 161.67(13) . . ?
C2C_62 Al1_62 Si1_62 129.22(13) . . ?
C4C_62 Al1_62 Al2_62 117.26(14) . . ?
C3C_62 Al1_62 Al2_62 145.29(16) . . ?
C5C_62 Al1_62 Al2_62 114.65(13) . . ?
C1C_62 Al1_62 Al2_62 138.89(13) . . ?
C2C_62 Al1_62 Al2_62 175.37(13) . . ?
Si1_62 Al1_62 Al2_62 55.30(5) . . ?
C4C_62 Al1_62 Al3_62 173.71(14) . . ?
C3C_62 Al1_62 Al3_62 148.38(15) . . ?
C5C_62 Al1_62 Al3_62 138.02(13) . . ?
C1C_62 Al1_62 Al3_62 117.18(14) . . ?
C2C_62 Al1_62 Al3_62 121.53(14) . . ?
Si1_62 Al1_62 Al3_62 55.47(5) . . ?
Al2_62 Al1_62 Al3_62 59.22(5) . . ?
C4A_62 Al2_62 C5A_62 37.71(16) . . ?
C4A_62 Al2_62 C1A_62 62.35(17) . . ?
C5A_62 Al2_62 C1A_62 37.14(16) . . ?
C4A_62 Al2_62 C3A_62 36.68(17) . . ?
C5A_62 Al2_62 C3A_62 62.22(18) . . ?
C1A_62 Al2_62 C3A_62 62.33(18) . . ?
C4A_62 Al2_62 C2A_62 61.56(17) . . ?
C5A_62 Al2_62 C2A_62 61.75(18) . . ?
C1A_62 Al2_62 C2A_62 37.06(17) . . ?
C3A_62 Al2_62 C2A_62 37.13(16) . . ?
C4A_62 Al2_62 Si1_62 115.68(13) . . ?
C5A_62 Al2_62 Si1_62 138.66(14) . . ?
C1A_62 Al2_62 Si1_62 175.29(15) . . ?
C3A_62 Al2_62 Si1_62 119.03(15) . . ?
C2A_62 Al2_62 Si1_62 146.70(15) . . ?
C4A_62 Al2_62 Al3_62 132.25(14) . . ?
C5A_62 Al2_62 Al3_62 112.73(14) . . ?
C1A_62 Al2_62 Al3_62 121.48(15) . . ?
C3A_62 Al2_62 Al3_62 167.52(15) . . ?
C2A_62 Al2_62 Al3_62 152.74(14) . . ?
Si1_62 Al2_62 Al3_62 56.13(5) . . ?
C4A_62 Al2_62 Al1_62 160.74(14) . . ?
C5A_62 Al2_62 Al1_62 160.02(13) . . ?
C1A_62 Al2_62 Al1_62 127.45(14) . . ?
C3A_62 Al2_62 Al1_62 128.25(15) . . ?
C2A_62 Al2_62 Al1_62 114.59(14) . . ?
Si1_62 Al2_62 Al1_62 55.86(5) . . ?
Al3_62 Al2_62 Al1_62 60.52(5) . . ?
C2B_62 Al3_62 C3B_62 37.59(18) . . ?
C2B_62 Al3_62 C1B_62 36.88(18) . . ?
C3B_62 Al3_62 C1B_62 61.97(19) . . ?
C2B_62 Al3_62 C4B_62 61.98(18) . . ?
C3B_62 Al3_62 C4B_62 36.75(17) . . ?
C1B_62 Al3_62 C4B_62 61.77(18) . . ?
C2B_62 Al3_62 C5B_62 61.76(18) . . ?
C3B_62 Al3_62 C5B_62 61.43(18) . . ?
C1B_62 Al3_62 C5B_62 37.15(16) . . ?
C4B_62 Al3_62 C5B_62 36.63(16) . . ?
C2B_62 Al3_62 Si1_62 133.80(15) . . ?
C3B_62 Al3_62 Si1_62 115.03(15) . . ?
C1B_62 Al3_62 Si1_62 168.57(15) . . ?
C4B_62 Al3_62 Si1_62 123.34(14) . . ?
C5B_62 Al3_62 Si1_62 152.98(14) . . ?
C2B_62 Al3_62 Al2_62 162.41(15) . . ?
C3B_62 Al3_62 Al2_62 159.55(15) . . ?
C1B_62 Al3_62 Al2_62 130.88(15) . . ?
C4B_62 Al3_62 Al2_62 129.01(14) . . ?
C5B_62 Al3_62 Al2_62 117.16(14) . . ?
Si1_62 Al3_62 Al2_62 55.76(5) . . ?
C2B_62 Al3_62 Al1_62 110.46(15) . . ?
C3B_62 Al3_62 Al1_62 132.93(15) . . ?
C1B_62 Al3_62 Al1_62 117.20(14) . . ?
C4B_62 Al3_62 Al1_62 169.62(15) . . ?
C5B_62 Al3_62 Al1_62 148.24(13) . . ?
Si1_62 Al3_62 Al1_62 55.66(5) . . ?
Al2_62 Al3_62 Al1_62 60.26(5) . . ?
C5A_62 C1A_62 C2A_62 107.7(4) . . ?
C5A_62 C1A_62 C6A_62 126.5(5) . . ?
C2A_62 C1A_62 C6A_62 125.8(5) . . ?
C5A_62 C1A_62 Al2_62 70.3(2) . . ?
C2A_62 C1A_62 Al2_62 72.9(3) . . ?
C6A_62 C1A_62 Al2_62 122.1(3) . . ?
C1A_62 C2A_62 C3A_62 107.6(4) . . ?
C1A_62 C2A_62 C7A_62 127.8(5) . . ?
C3A_62 C2A_62 C7A_62 124.5(5) . . ?
C1A_62 C2A_62 Al2_62 70.0(3) . . ?
C3A_62 C2A_62 Al2_62 70.3(3) . . ?
C7A_62 C2A_62 Al2_62 125.1(3) . . ?
C4A_62 C3A_62 C2A_62 107.6(4) . . ?
C4A_62 C3A_62 C8A_62 126.9(5) . . ?
C2A_62 C3A_62 C8A_62 125.5(5) . . ?
C4A_62 C3A_62 Al2_62 70.0(3) . . ?
C2A_62 C3A_62 Al2_62 72.6(3) . . ?
C8A_62 C3A_62 Al2_62 122.6(4) . . ?
C3A_62 C4A_62 C5A_62 109.0(4) . . ?
C3A_62 C4A_62 C9A_62 126.4(4) . . ?
C5A_62 C4A_62 C9A_62 124.5(4) . . ?
C3A_62 C4A_62 Al2_62 73.3(3) . . ?
C5A_62 C4A_62 Al2_62 71.3(2) . . ?
C9A_62 C4A_62 Al2_62 124.9(3) . . ?
C1A_62 C5A_62 C4A_62 108.0(4) . . ?
C1A_62 C5A_62 C10A_62 127.0(4) . . ?
C4A_62 C5A_62 C10A_62 124.5(4) . . ?
C1A_62 C5A_62 Al2_62 72.6(2) . . ?
C4A_62 C5A_62 Al2_62 71.0(2) . . ?
C10A_62 C5A_62 Al2_62 128.5(3) . . ?
C5A_62 C10A_62 H10A_62 109.5 . . ?
C5A_62 C10A_62 H10B_62 109.5 . . ?
H10A_62 C10A_62 H10B_62 109.5 . . ?
C5A_62 C10A_62 H10C_62 109.5 . . ?
H10A_62 C10A_62 H10C_62 109.5 . . ?
H10B_62 C10A_62 H10C_62 109.5 . . ?
C4A_62 C9A_62 H9AA_62 109.5 . . ?
C4A_62 C9A_62 H9AB_62 109.5 . . ?
H9AA_62 C9A_62 H9AB_62 109.5 . . ?
C4A_62 C9A_62 H9AC_62 109.5 . . ?
H9AA_62 C9A_62 H9AC_62 109.5 . . ?
H9AB_62 C9A_62 H9AC_62 109.5 . . ?
C3A_62 C8A_62 H8AA_62 109.5 . . ?
C3A_62 C8A_62 H8AB_62 109.5 . . ?
H8AA_62 C8A_62 H8AB_62 109.5 . . ?
C3A_62 C8A_62 H8AC_62 109.5 . . ?
H8AA_62 C8A_62 H8AC_62 109.5 . . ?
H8AB_62 C8A_62 H8AC_62 109.5 . . ?
C2A_62 C7A_62 H7AA_62 109.5 . . ?
C2A_62 C7A_62 H7AB_62 109.5 . . ?
H7AA_62 C7A_62 H7AB_62 109.5 . . ?
C2A_62 C7A_62 H7AC_62 109.5 . . ?
H7AA_62 C7A_62 H7AC_62 109.5 . . ?
H7AB_62 C7A_62 H7AC_62 109.5 . . ?
C1A_62 C6A_62 H6AA_62 109.5 . . ?
C1A_62 C6A_62 H6AB_62 109.5 . . ?
H6AA_62 C6A_62 H6AB_62 109.5 . . ?
C1A_62 C6A_62 H6AC_62 109.5 . . ?
H6AA_62 C6A_62 H6AC_62 109.5 . . ?
H6AB_62 C6A_62 H6AC_62 109.5 . . ?
C2B_62 C1B_62 C5B_62 107.8(4) . . ?
C2B_62 C1B_62 C6B_62 127.5(5) . . ?
C5B_62 C1B_62 C6B_62 124.7(5) . . ?
C2B_62 C1B_62 Al3_62 69.5(3) . . ?
C5B_62 C1B_62 Al3_62 73.2(2) . . ?
C6B_62 C1B_62 Al3_62 122.2(4) . . ?
C1B_62 C2B_62 C3B_62 108.7(4) . . ?
C1B_62 C2B_62 C7B_62 128.5(5) . . ?
C3B_62 C2B_62 C7B_62 122.5(5) . . ?
C1B_62 C2B_62 Al3_62 73.6(3) . . ?
C3B_62 C2B_62 Al3_62 71.9(3) . . ?
C7B_62 C2B_62 Al3_62 125.8(4) . . ?
C4B_62 C3B_62 C2B_62 108.5(4) . . ?
C4B_62 C3B_62 C8B_62 127.1(5) . . ?
C2B_62 C3B_62 C8B_62 124.3(5) . . ?
C4B_62 C3B_62 Al3_62 73.9(3) . . ?
C2B_62 C3B_62 Al3_62 70.5(3) . . ?
C8B_62 C3B_62 Al3_62 124.8(3) . . ?
C3B_62 C4B_62 C5B_62 107.9(4) . . ?
C3B_62 C4B_62 C9B_62 127.0(4) . . ?
C5B_62 C4B_62 C9B_62 125.2(4) . . ?
C3B_62 C4B_62 Al3_62 69.4(3) . . ?
C5B_62 C4B_62 Al3_62 72.6(2) . . ?
C9B_62 C4B_62 Al3_62 124.4(3) . . ?
C4B_62 C5B_62 C1B_62 107.2(4) . . ?
C4B_62 C5B_62 C10B_62 126.3(4) . . ?
C1B_62 C5B_62 C10B_62 126.4(4) . . ?
C4B_62 C5B_62 Al3_62 70.8(2) . . ?
C1B_62 C5B_62 Al3_62 69.7(2) . . ?
C10B_62 C5B_62 Al3_62 128.2(3) . . ?
C5B_62 C10B_62 H10D_62 109.5 . . ?
C5B_62 C10B_62 H10E_62 109.5 . . ?
H10D_62 C10B_62 H10E_62 109.5 . . ?
C5B_62 C10B_62 H10F_62 109.5 . . ?
H10D_62 C10B_62 H10F_62 109.5 . . ?
H10E_62 C10B_62 H10F_62 109.5 . . ?
C4B_62 C9B_62 H9BA_62 109.5 . . ?
C4B_62 C9B_62 H9BB_62 109.5 . . ?
H9BA_62 C9B_62 H9BB_62 109.5 . . ?
C4B_62 C9B_62 H9BC_62 109.5 . . ?
H9BA_62 C9B_62 H9BC_62 109.5 . . ?
H9BB_62 C9B_62 H9BC_62 109.5 . . ?
C3B_62 C8B_62 H8BA_62 109.5 . . ?
C3B_62 C8B_62 H8BB_62 109.5 . . ?
H8BA_62 C8B_62 H8BB_62 109.5 . . ?
C3B_62 C8B_62 H8BC_62 109.5 . . ?
H8BA_62 C8B_62 H8BC_62 109.5 . . ?
H8BB_62 C8B_62 H8BC_62 109.5 . . ?
C2B_62 C7B_62 H7BA_62 109.5 . . ?
C2B_62 C7B_62 H7BB_62 109.5 . . ?
H7BA_62 C7B_62 H7BB_62 109.5 . . ?
C2B_62 C7B_62 H7BC_62 109.5 . . ?
H7BA_62 C7B_62 H7BC_62 109.5 . . ?
H7BB_62 C7B_62 H7BC_62 109.5 . . ?
C1B_62 C6B_62 H6BA_62 109.5 . . ?
C1B_62 C6B_62 H6BB_62 109.5 . . ?
H6BA_62 C6B_62 H6BB_62 109.5 . . ?
C1B_62 C6B_62 H6BC_62 109.5 . . ?
H6BA_62 C6B_62 H6BC_62 109.5 . . ?
H6BB_62 C6B_62 H6BC_62 109.5 . . ?
C5C_62 C1C_62 C2C_62 108.0(4) . . ?
C5C_62 C1C_62 C6C_62 124.4(4) . . ?
C2C_62 C1C_62 C6C_62 127.5(5) . . ?
C5C_62 C1C_62 Al1_62 69.8(3) . . ?
C2C_62 C1C_62 Al1_62 72.0(3) . . ?
C6C_62 C1C_62 Al1_62 126.9(3) . . ?
C3C_62 C2C_62 C1C_62 107.4(4) . . ?
C3C_62 C2C_62 C7C_62 125.2(5) . . ?
C1C_62 C2C_62 C7C_62 127.4(5) . . ?
C3C_62 C2C_62 Al1_62 69.4(3) . . ?
C1C_62 C2C_62 Al1_62 71.6(3) . . ?
C7C_62 C2C_62 Al1_62 126.5(3) . . ?
C2C_62 C3C_62 C4C_62 108.7(4) . . ?
C2C_62 C3C_62 C8C_62 124.2(5) . . ?
C4C_62 C3C_62 C8C_62 126.9(5) . . ?
C2C_62 C3C_62 Al1_62 74.3(3) . . ?
C4C_62 C3C_62 Al1_62 70.4(3) . . ?
C8C_62 C3C_62 Al1_62 125.5(3) . . ?
C5C_62 C4C_62 C3C_62 108.3(4) . . ?
C5C_62 C4C_62 C9C_62 126.2(4) . . ?
C3C_62 C4C_62 C9C_62 125.3(4) . . ?
C5C_62 C4C_62 Al1_62 72.8(2) . . ?
C3C_62 C4C_62 Al1_62 72.3(3) . . ?
C9C_62 C4C_62 Al1_62 125.3(3) . . ?
C4C_62 C5C_62 C1C_62 107.6(4) . . ?
C4C_62 C5C_62 C10C_62 128.1(5) . . ?
C1C_62 C5C_62 C10C_62 124.0(4) . . ?
C4C_62 C5C_62 Al1_62 70.1(2) . . ?
C1C_62 C5C_62 Al1_62 73.4(2) . . ?
C10C_62 C5C_62 Al1_62 126.2(3) . . ?
C5C_62 C10C_62 H10G_62 109.5 . . ?
C5C_62 C10C_62 H10H_62 109.5 . . ?
H10G_62 C10C_62 H10H_62 109.5 . . ?
C5C_62 C10C_62 H10I_62 109.5 . . ?
H10G_62 C10C_62 H10I_62 109.5 . . ?
H10H_62 C10C_62 H10I_62 109.5 . . ?
C4C_62 C9C_62 H9CA_62 109.5 . . ?
C4C_62 C9C_62 H9CB_62 109.5 . . ?
H9CA_62 C9C_62 H9CB_62 109.5 . . ?
C4C_62 C9C_62 H9CC_62 109.5 . . ?
H9CA_62 C9C_62 H9CC_62 109.5 . . ?
H9CB_62 C9C_62 H9CC_62 109.5 . . ?
C3C_62 C8C_62 H8CA_62 109.5 . . ?
C3C_62 C8C_62 H8CB_62 109.5 . . ?
H8CA_62 C8C_62 H8CB_62 109.5 . . ?
C3C_62 C8C_62 H8CC_62 109.5 . . ?
H8CA_62 C8C_62 H8CC_62 109.5 . . ?
H8CB_62 C8C_62 H8CC_62 109.5 . . ?
C2C_62 C7C_62 H7CA_62 109.5 . . ?
C2C_62 C7C_62 H7CB_62 109.5 . . ?
H7CA_62 C7C_62 H7CB_62 109.5 . . ?
C2C_62 C7C_62 H7CC_62 109.5 . . ?
H7CA_62 C7C_62 H7CC_62 109.5 . . ?
H7CB_62 C7C_62 H7CC_62 109.5 . . ?
C1C_62 C6C_62 H6CA_62 109.5 . . ?
C1C_62 C6C_62 H6CB_62 109.5 . . ?
H6CA_62 C6C_62 H6CB_62 109.5 . . ?
C1C_62 C6C_62 H6CC_62 109.5 . . ?
H6CA_62 C6C_62 H6CC_62 109.5 . . ?
H6CB_62 C6C_62 H6CC_62 109.5 . . ?
C4D_62 C5D_62 C1D_62 108.8(4) . . ?
C4D_62 C5D_62 C10D_62 126.8(5) . . ?
C1D_62 C5D_62 C10D_62 124.4(4) . . ?
C1D_62 C6D_62 H6DA_62 109.5 . . ?
C1D_62 C6D_62 H6DB_62 109.5 . . ?
H6DA_62 C6D_62 H6DB_62 109.5 . . ?
C1D_62 C6D_62 H6DC_62 109.5 . . ?
H6DA_62 C6D_62 H6DC_62 109.5 . . ?
H6DB_62 C6D_62 H6DC_62 109.5 . . ?
C2D_62 C7D_62 H7DA_62 109.5 . . ?
C2D_62 C7D_62 H7DB_62 109.5 . . ?
H7DA_62 C7D_62 H7DB_62 109.5 . . ?
C2D_62 C7D_62 H7DC_62 109.5 . . ?
H7DA_62 C7D_62 H7DC_62 109.5 . . ?
H7DB_62 C7D_62 H7DC_62 109.5 . . ?
C3D_62 C8D_62 H8DA_62 109.5 . . ?
C3D_62 C8D_62 H8DB_62 109.5 . . ?
H8DA_62 C8D_62 H8DB_62 109.5 . . ?
C3D_62 C8D_62 H8DC_62 109.5 . . ?
H8DA_62 C8D_62 H8DC_62 109.5 . . ?
H8DB_62 C8D_62 H8DC_62 109.5 . . ?
C4D_62 C9D_62 H9DA_62 109.5 . . ?
C4D_62 C9D_62 H9DB_62 109.5 . . ?
H9DA_62 C9D_62 H9DB_62 109.5 . . ?
C4D_62 C9D_62 H9DC_62 109.5 . . ?
H9DA_62 C9D_62 H9DC_62 109.5 . . ?
H9DB_62 C9D_62 H9DC_62 109.5 . . ?
C5D_62 C10D_62 H10J_62 109.5 . . ?
C5D_62 C10D_62 H10K_62 109.5 . . ?
H10J_62 C10D_62 H10K_62 109.5 . . ?
C5D_62 C10D_62 H10L_62 109.5 . . ?
H10J_62 C10D_62 H10L_62 109.5 . . ?
H10K_62 C10D_62 H10L_62 109.5 . . ?
C2D_62 C1D_62 C5D_62 104.0(4) . . ?
C2D_62 C1D_62 C6D_62 117.7(4) . . ?
C5D_62 C1D_62 C6D_62 117.5(4) . . ?
C2D_62 C1D_62 Si1_62 102.2(3) . . ?
C5D_62 C1D_62 Si1_62 102.5(3) . . ?
C6D_62 C1D_62 Si1_62 110.8(3) . . ?
C3D_62 C2D_62 C1D_62 108.6(4) . . ?
C3D_62 C2D_62 C7D_62 127.6(4) . . ?
C1D_62 C2D_62 C7D_62 123.8(4) . . ?
C2D_62 C3D_62 C4D_62 109.2(4) . . ?
C2D_62 C3D_62 C8D_62 127.9(5) . . ?
C4D_62 C3D_62 C8D_62 122.9(4) . . ?
C5D_62 C4D_62 C3D_62 109.1(4) . . ?
C5D_62 C4D_62 C9D_62 126.3(5) . . ?
C3D_62 C4D_62 C9D_62 124.6(5) . . ?
C1_11 O1_11 Al15 152(2) . . ?
O1_11 C1_11 C4_11 111.7(16) . . ?
O1_11 C1_11 C2_11 107.3(16) . . ?
C4_11 C1_11 C2_11 111.9(13) . . ?
O1_11 C1_11 C3_11 108.1(16) . . ?
C4_11 C1_11 C3_11 108.7(12) . . ?
C2_11 C1_11 C3_11 108.9(12) . . ?
F2_11 C2_11 F1_11 108.5(19) . . ?
F2_11 C2_11 F3_11 105.6(19) . . ?
F1_11 C2_11 F3_11 108.1(17) . . ?
F2_11 C2_11 C1_11 113.1(18) . . ?
F1_11 C2_11 C1_11 111.2(15) . . ?
F3_11 C2_11 C1_11 110.1(15) . . ?
F5_11 C3_11 F4_11 108.5(18) . . ?
F5_11 C3_11 F6_11 108.3(17) . . ?
F4_11 C3_11 F6_11 112.1(18) . . ?
F5_11 C3_11 C1_11 109.1(14) . . ?
F4_11 C3_11 C1_11 109.5(14) . . ?
F6_11 C3_11 C1_11 109.2(15) . . ?
F9_11 C4_11 F7_11 107.9(17) . . ?
F9_11 C4_11 F8_11 103.2(16) . . ?
F7_11 C4_11 F8_11 109.7(18) . . ?
F9_11 C4_11 C1_11 111.5(15) . . ?
F7_11 C4_11 C1_11 109.7(15) . . ?
F8_11 C4_11 C1_11 114.5(16) . . ?
C1_12 O1_12 Al19 149(2) . . ?
O1_12 C1_12 C3_12 108.6(14) . . ?
O1_12 C1_12 C4_12 110.7(13) . . ?
C3_12 C1_12 C4_12 109.0(11) . . ?
O1_12 C1_12 C2_12 111.1(14) . . ?
C3_12 C1_12 C2_12 107.9(11) . . ?
C4_12 C1_12 C2_12 109.5(11) . . ?
F1_12 C2_12 F3_12 113.9(16) . . ?
F1_12 C2_12 F2_12 106.1(15) . . ?
F3_12 C2_12 F2_12 108.6(15) . . ?
F1_12 C2_12 C1_12 109.7(14) . . ?
F3_12 C2_12 C1_12 108.2(14) . . ?
F2_12 C2_12 C1_12 110.2(14) . . ?
F5_12 C3_12 F6_12 106.6(14) . . ?
F5_12 C3_12 F4_12 111.2(14) . . ?
F6_12 C3_12 F4_12 113.6(16) . . ?
F5_12 C3_12 C1_12 110.1(12) . . ?
F6_12 C3_12 C1_12 107.8(13) . . ?
F4_12 C3_12 C1_12 107.5(12) . . ?
F7_12 C4_12 F8_12 104.7(13) . . ?
F7_12 C4_12 F9_12 112.9(14) . . ?
F8_12 C4_12 F9_12 112.0(14) . . ?
F7_12 C4_12 C1_12 109.3(12) . . ?
F8_12 C4_12 C1_12 111.1(12) . . ?
F9_12 C4_12 C1_12 106.8(11) . . ?
C1_13 O1_13 Al17 148.8(18) . . ?
O1_13 C1_13 C3_13 117.0(14) . . ?
O1_13 C1_13 C4_13 107.9(14) . . ?
C3_13 C1_13 C4_13 110.2(13) . . ?
O1_13 C1_13 C2_13 109.0(14) . . ?
C3_13 C1_13 C2_13 109.2(12) . . ?
C4_13 C1_13 C2_13 102.7(12) . . ?
F2_13 C2_13 F1_13 113.2(18) . . ?
F2_13 C2_13 F3_13 105.0(17) . . ?
F1_13 C2_13 F3_13 110.6(18) . . ?
F2_13 C2_13 C1_13 112.8(15) . . ?
F1_13 C2_13 C1_13 106.0(14) . . ?
F3_13 C2_13 C1_13 109.3(15) . . ?
F5_13 C3_13 F6_13 101.0(16) . . ?
F5_13 C3_13 F4_13 105.9(17) . . ?
F6_13 C3_13 F4_13 111.3(17) . . ?
F5_13 C3_13 C1_13 113.2(16) . . ?
F6_13 C3_13 C1_13 113.6(16) . . ?
F4_13 C3_13 C1_13 111.3(15) . . ?
F7_13 C4_13 F9_13 104.6(16) . . ?
F7_13 C4_13 F8_13 116.0(17) . . ?
F9_13 C4_13 F8_13 110.6(17) . . ?
F7_13 C4_13 C1_13 113.2(15) . . ?
F9_13 C4_13 C1_13 110.1(15) . . ?
F8_13 C4_13 C1_13 102.5(13) . . ?
C1D_10 Si1_10 Al3_10 136.6(9) . . ?
C1D_10 Si1_10 Al2_10 142.7(10) . . ?
Al3_10 Si1_10 Al2_10 65.9(4) . . ?
C1D_10 Si1_10 Al1_10 142.5(9) . . ?
Al3_10 Si1_10 Al1_10 67.3(4) . . ?
Al2_10 Si1_10 Al1_10 66.6(4) . . ?
C4C_10 Al1_10 C5C_10 38.4(4) . . ?
C4C_10 Al1_10 C3C_10 38.0(5) . . ?
C5C_10 Al1_10 C3C_10 63.2(6) . . ?
C4C_10 Al1_10 C1C_10 59.7(6) . . ?
C5C_10 Al1_10 C1C_10 35.2(4) . . ?
C3C_10 Al1_10 C1C_10 59.4(6) . . ?
C4C_10 Al1_10 C2C_10 59.7(6) . . ?
C5C_10 Al1_10 C2C_10 59.7(6) . . ?
C3C_10 Al1_10 C2C_10 35.1(4) . . ?
C1C_10 Al1_10 C2C_10 34.5(4) . . ?
C4C_10 Al1_10 Si1_10 116.4(8) . . ?
C5C_10 Al1_10 Si1_10 145.4(8) . . ?
C3C_10 Al1_10 Si1_10 113.8(7) . . ?
C1C_10 Al1_10 Si1_10 173.0(7) . . ?
C2C_10 Al1_10 Si1_10 138.9(8) . . ?
C4C_10 Al1_10 Al2_10 116.2(7) . . ?
C5C_10 Al1_10 Al2_10 107.1(7) . . ?
C3C_10 Al1_10 Al2_10 149.9(8) . . ?
C1C_10 Al1_10 Al2_10 129.9(7) . . ?
C2C_10 Al1_10 Al2_10 164.4(7) . . ?
Si1_10 Al1_10 Al2_10 56.6(3) . . ?
C4C_10 Al1_10 Al3_10 172.3(7) . . ?
C5C_10 Al1_10 Al3_10 146.6(7) . . ?
C3C_10 Al1_10 Al3_10 144.0(7) . . ?
C1C_10 Al1_10 Al3_10 127.9(7) . . ?
C2C_10 Al1_10 Al3_10 126.7(6) . . ?
Si1_10 Al1_10 Al3_10 56.1(3) . . ?
Al2_10 Al1_10 Al3_10 58.9(3) . . ?
C4A_10 Al2_10 C5A_10 39.0(4) . . ?
C4A_10 Al2_10 C3A_10 36.7(5) . . ?
C5A_10 Al2_10 C3A_10 63.0(6) . . ?
C4A_10 Al2_10 C1A_10 61.1(6) . . ?
C5A_10 Al2_10 C1A_10 36.5(4) . . ?
C3A_10 Al2_10 C1A_10 60.2(6) . . ?
C4A_10 Al2_10 C2A_10 58.8(6) . . ?
C5A_10 Al2_10 C2A_10 59.7(6) . . ?
C3A_10 Al2_10 C2A_10 34.9(4) . . ?
C1A_10 Al2_10 C2A_10 34.8(4) . . ?
C4A_10 Al2_10 Si1_10 110.0(8) . . ?
C5A_10 Al2_10 Si1_10 136.8(8) . . ?
C3A_10 Al2_10 Si1_10 112.7(8) . . ?
C1A_10 Al2_10 Si1_10 171.1(8) . . ?
C2A_10 Al2_10 Si1_10 141.7(8) . . ?
C4A_10 Al2_10 Al3_10 119.3(8) . . ?
C5A_10 Al2_10 Al3_10 106.1(7) . . ?
C3A_10 Al2_10 Al3_10 153.3(8) . . ?
C1A_10 Al2_10 Al3_10 126.5(8) . . ?
C2A_10 Al2_10 Al3_10 161.2(8) . . ?
Si1_10 Al2_10 Al3_10 56.9(3) . . ?
C4A_10 Al2_10 Al1_10 165.3(8) . . ?
C5A_10 Al2_10 Al1_10 155.0(8) . . ?
C3A_10 Al2_10 Al1_10 137.9(7) . . ?
C1A_10 Al2_10 Al1_10 131.9(7) . . ?
C2A_10 Al2_10 Al1_10 126.3(7) . . ?
Si1_10 Al2_10 Al1_10 56.8(3) . . ?
Al3_10 Al2_10 Al1_10 61.0(3) . . ?
C2B_10 Al3_10 C3B_10 38.7(4) . . ?
C2B_10 Al3_10 C1B_10 37.5(4) . . ?
C3B_10 Al3_10 C1B_10 63.4(6) . . ?
C2B_10 Al3_10 C4B_10 61.4(6) . . ?
C3B_10 Al3_10 C4B_10 36.4(5) . . ?
C1B_10 Al3_10 C4B_10 60.9(6) . . ?
C2B_10 Al3_10 C5B_10 60.4(6) . . ?
C3B_10 Al3_10 C5B_10 60.7(6) . . ?
C1B_10 Al3_10 C5B_10 35.8(4) . . ?
C4B_10 Al3_10 C5B_10 35.4(4) . . ?
C2B_10 Al3_10 Si1_10 117.6(8) . . ?
C3B_10 Al3_10 Si1_10 105.0(8) . . ?
C1B_10 Al3_10 Si1_10 152.6(8) . . ?
C4B_10 Al3_10 Si1_10 125.4(8) . . ?
C5B_10 Al3_10 Si1_10 160.7(8) . . ?
C2B_10 Al3_10 Al2_10 163.4(8) . . ?
C3B_10 Al3_10 Al2_10 153.8(8) . . ?
C1B_10 Al3_10 Al2_10 141.3(8) . . ?
C4B_10 Al3_10 Al2_10 135.1(7) . . ?
C5B_10 Al3_10 Al2_10 130.3(7) . . ?
Si1_10 Al3_10 Al2_10 57.2(3) . . ?
C2B_10 Al3_10 Al1_10 103.5(7) . . ?
C3B_10 Al3_10 Al1_10 129.5(8) . . ?
C1B_10 Al3_10 Al1_10 109.9(7) . . ?
C4B_10 Al3_10 Al1_10 164.6(8) . . ?
C5B_10 Al3_10 Al1_10 142.1(8) . . ?
Si1_10 Al3_10 Al1_10 56.6(3) . . ?
Al2_10 Al3_10 Al1_10 60.1(3) . . ?
C5A_10 C1A_10 C2A_10 108.1(12) . . ?
C5A_10 C1A_10 C6A_10 124.7(19) . . ?
C2A_10 C1A_10 C6A_10 126.9(19) . . ?
C5A_10 C1A_10 Al2_10 65.7(7) . . ?
C2A_10 C1A_10 Al2_10 76.2(7) . . ?
C6A_10 C1A_10 Al2_10 128.4(15) . . ?
C3A_10 C2A_10 C1A_10 109.7(12) . . ?
C3A_10 C2A_10 C7A_10 123.2(18) . . ?
C1A_10 C2A_10 C7A_10 127.0(19) . . ?
C3A_10 C2A_10 Al2_10 68.0(7) . . ?
C1A_10 C2A_10 Al2_10 69.1(7) . . ?
C7A_10 C2A_10 Al2_10 131.9(15) . . ?
C4A_10 C3A_10 C2A_10 105.6(12) . . ?
C4A_10 C3A_10 C8A_10 127.8(19) . . ?
C2A_10 C3A_10 C8A_10 126.6(19) . . ?
C4A_10 C3A_10 Al2_10 65.3(7) . . ?
C2A_10 C3A_10 Al2_10 77.1(7) . . ?
C8A_10 C3A_10 Al2_10 123.8(15) . . ?
C3A_10 C4A_10 C5A_10 110.7(12) . . ?
C3A_10 C4A_10 C9A_10 126.0(18) . . ?
C5A_10 C4A_10 C9A_10 122.8(18) . . ?
C3A_10 C4A_10 Al2_10 78.0(7) . . ?
C5A_10 C4A_10 Al2_10 71.7(7) . . ?
C9A_10 C4A_10 Al2_10 110.3(13) . . ?
C1A_10 C5A_10 C4A_10 105.8(12) . . ?
C1A_10 C5A_10 C10A_10 123.2(18) . . ?
C4A_10 C5A_10 C10A_10 131.0(18) . . ?
C1A_10 C5A_10 Al2_10 77.8(7) . . ?
C4A_10 C5A_10 Al2_10 69.3(7) . . ?
C10A_10 C5A_10 Al2_10 117.5(15) . . ?
C5A_10 C10A_10 H10A_10 109.5 . . ?
C5A_10 C10A_10 H10B_10 109.5 . . ?
H10A_10 C10A_10 H10B_10 109.5 . . ?
C5A_10 C10A_10 H10C_10 109.5 . . ?
H10A_10 C10A_10 H10C_10 109.5 . . ?
H10B_10 C10A_10 H10C_10 109.5 . . ?
C4A_10 C9A_10 H9AA_10 109.5 . . ?
C4A_10 C9A_10 H9AB_10 109.5 . . ?
H9AA_10 C9A_10 H9AB_10 109.5 . . ?
C4A_10 C9A_10 H9AC_10 109.5 . . ?
H9AA_10 C9A_10 H9AC_10 109.5 . . ?
H9AB_10 C9A_10 H9AC_10 109.5 . . ?
C3A_10 C8A_10 H8AA_10 109.5 . . ?
C3A_10 C8A_10 H8AB_10 109.5 . . ?
H8AA_10 C8A_10 H8AB_10 109.5 . . ?
C3A_10 C8A_10 H8AC_10 109.5 . . ?
H8AA_10 C8A_10 H8AC_10 109.5 . . ?
H8AB_10 C8A_10 H8AC_10 109.5 . . ?
C2A_10 C7A_10 H7AA_10 109.5 . . ?
C2A_10 C7A_10 H7AB_10 109.5 . . ?
H7AA_10 C7A_10 H7AB_10 109.5 . . ?
C2A_10 C7A_10 H7AC_10 109.5 . . ?
H7AA_10 C7A_10 H7AC_10 109.5 . . ?
H7AB_10 C7A_10 H7AC_10 109.5 . . ?
C1A_10 C6A_10 H6AA_10 109.5 . . ?
C1A_10 C6A_10 H6AB_10 109.5 . . ?
H6AA_10 C6A_10 H6AB_10 109.5 . . ?
C1A_10 C6A_10 H6AC_10 109.5 . . ?
H6AA_10 C6A_10 H6AC_10 109.5 . . ?
H6AB_10 C6A_10 H6AC_10 109.5 . . ?
C2B_10 C1B_10 C5B_10 105.7(12) . . ?
C2B_10 C1B_10 C6B_10 126.8(18) . . ?
C5B_10 C1B_10 C6B_10 127.5(18) . . ?
C2B_10 C1B_10 Al3_10 66.3(7) . . ?
C5B_10 C1B_10 Al3_10 75.6(7) . . ?
C6B_10 C1B_10 Al3_10 123.0(14) . . ?
C1B_10 C2B_10 C3B_10 109.9(12) . . ?
C1B_10 C2B_10 C7B_10 126.6(18) . . ?
C3B_10 C2B_10 C7B_10 123.3(18) . . ?
C1B_10 C2B_10 Al3_10 76.2(7) . . ?
C3B_10 C2B_10 Al3_10 72.0(7) . . ?
C7B_10 C2B_10 Al3_10 114.7(14) . . ?
C4B_10 C3B_10 C2B_10 106.9(12) . . ?
C4B_10 C3B_10 C8B_10 123.5(18) . . ?
C2B_10 C3B_10 C8B_10 129.6(19) . . ?
C4B_10 C3B_10 Al3_10 77.2(7) . . ?
C2B_10 C3B_10 Al3_10 69.3(7) . . ?
C8B_10 C3B_10 Al3_10 120.3(15) . . ?
C3B_10 C4B_10 C5B_10 108.4(12) . . ?
C3B_10 C4B_10 C9B_10 121.4(18) . . ?
C5B_10 C4B_10 C9B_10 130.2(19) . . ?
C3B_10 C4B_10 Al3_10 66.4(7) . . ?
C5B_10 C4B_10 Al3_10 74.0(7) . . ?
C9B_10 C4B_10 Al3_10 127.5(15) . . ?
C4B_10 C5B_10 C1B_10 109.2(12) . . ?
C4B_10 C5B_10 C10B_10 128.3(18) . . ?
C1B_10 C5B_10 C10B_10 122.2(17) . . ?
C4B_10 C5B_10 Al3_10 70.6(7) . . ?
C1B_10 C5B_10 Al3_10 68.6(7) . . ?
C10B_10 C5B_10 Al3_10 131.7(15) . . ?
C5B_10 C10B_10 H10D_10 109.5 . . ?
C5B_10 C10B_10 H10E_10 109.5 . . ?
H10D_10 C10B_10 H10E_10 109.5 . . ?
C5B_10 C10B_10 H10F_10 109.5 . . ?
H10D_10 C10B_10 H10F_10 109.5 . . ?
H10E_10 C10B_10 H10F_10 109.5 . . ?
C4B_10 C9B_10 H9BA_10 109.5 . . ?
C4B_10 C9B_10 H9BB_10 109.5 . . ?
H9BA_10 C9B_10 H9BB_10 109.5 . . ?
C4B_10 C9B_10 H9BC_10 109.5 . . ?
H9BA_10 C9B_10 H9BC_10 109.5 . . ?
H9BB_10 C9B_10 H9BC_10 109.5 . . ?
C3B_10 C8B_10 H8BA_10 109.5 . . ?
C3B_10 C8B_10 H8BB_10 109.5 . . ?
H8BA_10 C8B_10 H8BB_10 109.5 . . ?
C3B_10 C8B_10 H8BC_10 109.5 . . ?
H8BA_10 C8B_10 H8BC_10 109.5 . . ?
H8BB_10 C8B_10 H8BC_10 109.5 . . ?
C2B_10 C7B_10 H7BA_10 109.5 . . ?
C2B_10 C7B_10 H7BB_10 109.5 . . ?
H7BA_10 C7B_10 H7BB_10 109.5 . . ?
C2B_10 C7B_10 H7BC_10 109.5 . . ?
H7BA_10 C7B_10 H7BC_10 109.5 . . ?
H7BB_10 C7B_10 H7BC_10 109.5 . . ?
C1B_10 C6B_10 H6BA_10 109.5 . . ?
C1B_10 C6B_10 H6BB_10 109.5 . . ?
H6BA_10 C6B_10 H6BB_10 109.5 . . ?
C1B_10 C6B_10 H6BC_10 109.5 . . ?
H6BA_10 C6B_10 H6BC_10 109.5 . . ?
H6BB_10 C6B_10 H6BC_10 109.5 . . ?
C5C_10 C1C_10 C2C_10 109.3(12) . . ?
C5C_10 C1C_10 C6C_10 124.6(18) . . ?
C2C_10 C1C_10 C6C_10 125.5(18) . . ?
C5C_10 C1C_10 Al1_10 65.5(6) . . ?
C2C_10 C1C_10 Al1_10 73.1(7) . . ?
C6C_10 C1C_10 Al1_10 134.4(15) . . ?
C3C_10 C2C_10 C1C_10 108.4(12) . . ?
C3C_10 C2C_10 C7C_10 127.4(18) . . ?
C1C_10 C2C_10 C7C_10 123.7(18) . . ?
C3C_10 C2C_10 Al1_10 65.5(6) . . ?
C1C_10 C2C_10 Al1_10 72.4(7) . . ?
C7C_10 C2C_10 Al1_10 134.3(15) . . ?
C2C_10 C3C_10 C4C_10 106.5(12) . . ?
C2C_10 C3C_10 C8C_10 125.2(18) . . ?
C4C_10 C3C_10 C8C_10 128.2(18) . . ?
C2C_10 C3C_10 Al1_10 79.5(7) . . ?
C4C_10 C3C_10 Al1_10 66.4(7) . . ?
C8C_10 C3C_10 Al1_10 122.9(15) . . ?
C3C_10 C4C_10 C5C_10 110.2(12) . . ?
C3C_10 C4C_10 C9C_10 125.6(18) . . ?
C5C_10 C4C_10 C9C_10 124.0(18) . . ?
C3C_10 C4C_10 Al1_10 75.6(7) . . ?
C5C_10 C4C_10 Al1_10 75.1(7) . . ?
C9C_10 C4C_10 Al1_10 111.8(14) . . ?
C1C_10 C5C_10 C4C_10 105.6(12) . . ?
C1C_10 C5C_10 C10C_10 130.2(19) . . ?
C4C_10 C5C_10 C10C_10 124.2(18) . . ?
C1C_10 C5C_10 Al1_10 79.3(7) . . ?
C4C_10 C5C_10 Al1_10 66.4(7) . . ?
C10C_10 C5C_10 Al1_10 119.1(15) . . ?
C5C_10 C10C_10 H10G_10 109.5 . . ?
C5C_10 C10C_10 H10H_10 109.5 . . ?
H10G_10 C10C_10 H10H_10 109.5 . . ?
C5C_10 C10C_10 H10I_10 109.5 . . ?
H10G_10 C10C_10 H10I_10 109.5 . . ?
H10H_10 C10C_10 H10I_10 109.5 . . ?
C4C_10 C9C_10 H9CA_10 109.5 . . ?
C4C_10 C9C_10 H9CB_10 109.5 . . ?
H9CA_10 C9C_10 H9CB_10 109.5 . . ?
C4C_10 C9C_10 H9CC_10 109.5 . . ?
H9CA_10 C9C_10 H9CC_10 109.5 . . ?
H9CB_10 C9C_10 H9CC_10 109.5 . . ?
C3C_10 C8C_10 H8CA_10 109.5 . . ?
C3C_10 C8C_10 H8CB_10 109.5 . . ?
H8CA_10 C8C_10 H8CB_10 109.5 . . ?
C3C_10 C8C_10 H8CC_10 109.5 . . ?
H8CA_10 C8C_10 H8CC_10 109.5 . . ?
H8CB_10 C8C_10 H8CC_10 109.5 . . ?
C2C_10 C7C_10 H7CA_10 109.5 . . ?
C2C_10 C7C_10 H7CB_10 109.5 . . ?
H7CA_10 C7C_10 H7CB_10 109.5 . . ?
C2C_10 C7C_10 H7CC_10 109.5 . . ?
H7CA_10 C7C_10 H7CC_10 109.5 . . ?
H7CB_10 C7C_10 H7CC_10 109.5 . . ?
C1C_10 C6C_10 H6CA_10 109.5 . . ?
C1C_10 C6C_10 H6CB_10 109.5 . . ?
H6CA_10 C6C_10 H6CB_10 109.5 . . ?
C1C_10 C6C_10 H6CC_10 109.5 . . ?
H6CA_10 C6C_10 H6CC_10 109.5 . . ?
H6CB_10 C6C_10 H6CC_10 109.5 . . ?
C4D_10 C5D_10 C1D_10 106.9(15) . . ?
C4D_10 C5D_10 C10D_10 128(2) . . ?
C1D_10 C5D_10 C10D_10 125(2) . . ?
C1D_10 C6D_10 H6DA_10 109.5 . . ?
C1D_10 C6D_10 H6DB_10 109.5 . . ?
H6DA_10 C6D_10 H6DB_10 109.5 . . ?
C1D_10 C6D_10 H6DC_10 109.5 . . ?
H6DA_10 C6D_10 H6DC_10 109.5 . . ?
H6DB_10 C6D_10 H6DC_10 109.5 . . ?
C2D_10 C7D_10 H7DA_10 109.5 . . ?
C2D_10 C7D_10 H7DB_10 109.5 . . ?
H7DA_10 C7D_10 H7DB_10 109.5 . . ?
C2D_10 C7D_10 H7DC_10 109.5 . . ?
H7DA_10 C7D_10 H7DC_10 109.5 . . ?
H7DB_10 C7D_10 H7DC_10 109.5 . . ?
C3D_10 C8D_10 H8DA_10 109.5 . . ?
C3D_10 C8D_10 H8DB_10 109.5 . . ?
H8DA_10 C8D_10 H8DB_10 109.5 . . ?
C3D_10 C8D_10 H8DC_10 109.5 . . ?
H8DA_10 C8D_10 H8DC_10 109.5 . . ?
H8DB_10 C8D_10 H8DC_10 109.5 . . ?
C4D_10 C9D_10 H9DA_10 109.5 . . ?
C4D_10 C9D_10 H9DB_10 109.5 . . ?
H9DA_10 C9D_10 H9DB_10 109.5 . . ?
C4D_10 C9D_10 H9DC_10 109.5 . . ?
H9DA_10 C9D_10 H9DC_10 109.5 . . ?
H9DB_10 C9D_10 H9DC_10 109.5 . . ?
C5D_10 C10D_10 H10J_10 109.5 . . ?
C5D_10 C10D_10 H10K_10 109.5 . . ?
H10J_10 C10D_10 H10K_10 109.5 . . ?
C5D_10 C10D_10 H10L_10 109.5 . . ?
H10J_10 C10D_10 H10L_10 109.5 . . ?
H10K_10 C10D_10 H10L_10 109.5 . . ?
C2D_10 C1D_10 C5D_10 104.3(16) . . ?
C2D_10 C1D_10 C6D_10 114.2(19) . . ?
C5D_10 C1D_10 C6D_10 112.7(19) . . ?
C2D_10 C1D_10 Si1_10 105.2(18) . . ?
C5D_10 C1D_10 Si1_10 105.0(18) . . ?
C6D_10 C1D_10 Si1_10 114.5(19) . . ?
C3D_10 C2D_10 C1D_10 107.3(15) . . ?
C3D_10 C2D_10 C7D_10 127(2) . . ?
C1D_10 C2D_10 C7D_10 125(2) . . ?
C2D_10 C3D_10 C4D_10 109.1(14) . . ?
C2D_10 C3D_10 C8D_10 127(2) . . ?
C4D_10 C3D_10 C8D_10 123(2) . . ?
C5D_10 C4D_10 C3D_10 109.7(14) . . ?
C5D_10 C4D_10 C9D_10 127(2) . . ?
C3D_10 C4D_10 C9D_10 122(2) . . ?
C1_63 O1_63 Al15 150.6(12) . . ?
O1_63 C1_63 C2_63 117.5(11) . . ?
O1_63 C1_63 C3_63 106.8(11) . . ?
C2_63 C1_63 C3_63 108.4(10) . . ?
O1_63 C1_63 C4_63 105.0(10) . . ?
C2_63 C1_63 C4_63 119.8(10) . . ?
C3_63 C1_63 C4_63 96.7(9) . . ?
F1_63 C2_63 F2_63 99.1(12) . . ?
F1_63 C2_63 F3_63 118.2(13) . . ?
F2_63 C2_63 F3_63 108.4(13) . . ?
F1_63 C2_63 C1_63 110.8(12) . . ?
F2_63 C2_63 C1_63 110.8(12) . . ?
F3_63 C2_63 C1_63 109.1(11) . . ?
F4_63 C3_63 F5_63 104.6(13) . . ?
F4_63 C3_63 F6_63 105.1(12) . . ?
F5_63 C3_63 F6_63 115.3(14) . . ?
F4_63 C3_63 C1_63 115.4(12) . . ?
F5_63 C3_63 C1_63 106.7(11) . . ?
F6_63 C3_63 C1_63 109.9(11) . . ?
F9_63 C4_63 F8_63 105.8(11) . . ?
F9_63 C4_63 F7_63 122.2(14) . . ?
F8_63 C4_63 F7_63 109.8(12) . . ?
F9_63 C4_63 C1_63 111.0(11) . . ?
F8_63 C4_63 C1_63 112.5(12) . . ?
F7_63 C4_63 C1_63 95.4(10) . . ?
C1_64 O1_64 Al16 146.9(17) . . ?
O1_64 C1_64 C2_64 109.2(13) . . ?
O1_64 C1_64 C3_64 110.3(13) . . ?
C2_64 C1_64 C3_64 113.9(11) . . ?
O1_64 C1_64 C4_64 107.8(13) . . ?
C2_64 C1_64 C4_64 108.1(11) . . ?
C3_64 C1_64 C4_64 107.3(11) . . ?
F3_64 C2_64 F2_64 111.2(15) . . ?
F3_64 C2_64 F1_64 110.7(14) . . ?
F2_64 C2_64 F1_64 105.7(15) . . ?
F3_64 C2_64 C1_64 108.5(12) . . ?
F2_64 C2_64 C1_64 113.2(15) . . ?
F1_64 C2_64 C1_64 107.5(13) . . ?
F5_64 C3_64 F6_64 106.9(14) . . ?
F5_64 C3_64 F4_64 109.2(15) . . ?
F6_64 C3_64 F4_64 105.3(14) . . ?
F5_64 C3_64 C1_64 112.4(13) . . ?
F6_64 C3_64 C1_64 112.9(13) . . ?
F4_64 C3_64 C1_64 109.9(13) . . ?
F9_64 C4_64 F8_64 107.0(15) . . ?
F9_64 C4_64 F7_64 111.6(15) . . ?
F8_64 C4_64 F7_64 111.1(15) . . ?
F9_64 C4_64 C1_64 108.3(12) . . ?
F8_64 C4_64 C1_64 109.8(13) . . ?
F7_64 C4_64 C1_64 109.0(13) . . ?
C1_65 O1_65 Al14 150(2) . . ?
O1_65 C1_65 C4_65 110.6(14) . . ?
O1_65 C1_65 C3_65 110.0(14) . . ?
C4_65 C1_65 C3_65 108.7(9) . . ?
O1_65 C1_65 C2_65 109.4(14) . . ?
C4_65 C1_65 C2_65 109.5(9) . . ?
C3_65 C1_65 C2_65 108.6(9) . . ?
F1_65 C2_65 F2_65 108.8(12) . . ?
F1_65 C2_65 F3_65 109.4(11) . . ?
F2_65 C2_65 F3_65 103.2(12) . . ?
F1_65 C2_65 C1_65 112.6(10) . . ?
F2_65 C2_65 C1_65 112.1(12) . . ?
F3_65 C2_65 C1_65 110.3(10) . . ?
F5_65 C3_65 F4_65 106.5(11) . . ?
F5_65 C3_65 F6_65 107.5(11) . . ?
F4_65 C3_65 F6_65 107.8(11) . . ?
F5_65 C3_65 C1_65 110.6(10) . . ?
F4_65 C3_65 C1_65 110.4(10) . . ?
F6_65 C3_65 C1_65 113.7(11) . . ?
F9_65 C4_65 F8_65 106.5(11) . . ?
F9_65 C4_65 F7_65 107.5(10) . . ?
F8_65 C4_65 F7_65 106.9(11) . . ?
F9_65 C4_65 C1_65 111.2(10) . . ?
F8_65 C4_65 C1_65 112.8(10) . . ?
F7_65 C4_65 C1_65 111.5(10) . . ?
C1_66 O1_66 Al18 157.1(18) . . ?
O1_66 C1_66 C4_66 103.4(12) . . ?
O1_66 C1_66 C3_66 112.6(12) . . ?
C4_66 C1_66 C3_66 107.9(10) . . ?
O1_66 C1_66 C2_66 109.3(12) . . ?
C4_66 C1_66 C2_66 111.7(10) . . ?
C3_66 C1_66 C2_66 111.6(10) . . ?
F2_66 C2_66 F3_66 108.6(13) . . ?
F2_66 C2_66 F1_66 105.5(12) . . ?
F3_66 C2_66 F1_66 105.3(12) . . ?
F2_66 C2_66 C1_66 113.0(12) . . ?
F3_66 C2_66 C1_66 115.4(11) . . ?
F1_66 C2_66 C1_66 108.3(11) . . ?
F5_66 C3_66 F6_66 115.8(14) . . ?
F5_66 C3_66 F4_66 106.2(13) . . ?
F6_66 C3_66 F4_66 93.6(12) . . ?
F5_66 C3_66 C1_66 112.6(11) . . ?
F6_66 C3_66 C1_66 112.8(12) . . ?
F4_66 C3_66 C1_66 114.3(12) . . ?
F7_66 C4_66 F8_66 98.5(13) . . ?
F7_66 C4_66 F9_66 100.4(12) . . ?
F8_66 C4_66 F9_66 117.4(14) . . ?
F7_66 C4_66 C1_66 119.8(13) . . ?
F8_66 C4_66 C1_66 109.2(12) . . ?
F9_66 C4_66 C1_66 111.2(11) . . ?
C1_67 O1_67 Al16 156(3) . . ?
O1_67 C1_67 C3_67 111.2(16) . . ?
O1_67 C1_67 C4_67 109.3(16) . . ?
C3_67 C1_67 C4_67 110.2(10) . . ?
O1_67 C1_67 C2_67 107.9(16) . . ?
C3_67 C1_67 C2_67 112.7(11) . . ?
C4_67 C1_67 C2_67 105.4(10) . . ?
F3_67 C2_67 F2_67 105.2(12) . . ?
F3_67 C2_67 F1_67 106.5(13) . . ?
F2_67 C2_67 F1_67 119.8(13) . . ?
F3_67 C2_67 C1_67 107.5(12) . . ?
F2_67 C2_67 C1_67 107.2(11) . . ?
F1_67 C2_67 C1_67 109.9(11) . . ?
F4_67 C3_67 F6_67 101.0(11) . . ?
F4_67 C3_67 F5_67 94.6(11) . . ?
F6_67 C3_67 F5_67 130.6(14) . . ?
F4_67 C3_67 C1_67 112.0(11) . . ?
F6_67 C3_67 C1_67 105.4(11) . . ?
F5_67 C3_67 C1_67 111.5(11) . . ?
F7_67 C4_67 F8_67 116.1(14) . . ?
F7_67 C4_67 F9_67 105.9(14) . . ?
F8_67 C4_67 F9_67 105.1(12) . . ?
F7_67 C4_67 C1_67 108.6(11) . . ?
F8_67 C4_67 C1_67 113.0(12) . . ?
F9_67 C4_67 C1_67 107.5(12) . . ?
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
Si2 C1_14 1.955(4) . ?
Si2 Al6 2.4579(16) . ?
Si2 Al4 2.4729(17) . ?
Si2 Al5 2.5246(16) . ?
Si3 C1_15 1.962(4) . ?
Si3 Al8 2.4599(16) . ?
Si3 Al7 2.4721(18) . ?
Si3 Al9 2.5152(16) . ?
Si4 C1_16 1.965(4) . ?
Si4 Al12 2.4690(16) . ?
Si4 Al10 2.4886(16) . ?
Si4 Al11 2.4898(16) . ?
Al4 C4_7 2.205(4) . ?
Al4 C3_7 2.226(4) . ?
Al4 C5_7 2.227(4) . ?
Al4 C2_7 2.251(4) . ?
Al4 C1_7 2.261(4) . ?
Al4 Al5 2.7847(19) . ?
Al4 Al6 2.8479(18) . ?
Al5 C2_8 2.231(4) . ?
Al5 C1_8 2.232(4) . ?
Al5 C3_8 2.235(4) . ?
Al5 C5_8 2.238(4) . ?
Al5 C4_8 2.253(4) . ?
Al5 Al6 2.8035(17) . ?
Al6 C4_9 2.211(4) . ?
Al6 C3_9 2.221(4) . ?
Al6 C5_9 2.224(4) . ?
Al6 C1_9 2.238(4) . ?
Al6 C2_9 2.240(4) . ?
Al7 C5_4 2.216(5) . ?
Al7 C4_4 2.220(4) . ?
Al7 C1_4 2.242(4) . ?
Al7 C3_4 2.244(4) . ?
Al7 C2_4 2.247(4) . ?
Al7 Al9 2.7935(18) . ?
Al7 Al8 2.8194(18) . ?
Al8 C5_5 2.208(5) . ?
Al8 C4_5 2.211(4) . ?
Al8 C3_5 2.223(4) . ?
Al8 C1_5 2.230(4) . ?
Al8 C2_5 2.234(4) . ?
Al8 Al9 2.7585(17) . ?
Al9 C2_6 2.219(4) . ?
Al9 C1_6 2.225(4) . ?
Al9 C3_6 2.233(4) . ?
Al9 C5_6 2.242(4) . ?
Al9 C4_6 2.244(4) . ?
Al10 C5_2 2.220(4) . ?
Al10 C4_2 2.225(4) . ?
Al10 C2_2 2.234(4) . ?
Al10 C1_2 2.235(4) . ?
Al10 C3_2 2.235(4) . ?
Al10 Al11 2.7625(16) . ?
Al10 Al12 2.8044(17) . ?
Al11 C3_3 2.207(4) . ?
Al11 C4_3 2.219(4) . ?
Al11 C2_3 2.221(4) . ?
Al11 C5_3 2.247(4) . ?
Al11 C1_3 2.249(4) . ?
Al11 Al12 2.8004(17) . ?
Al12 C5_1 2.205(4) . ?
Al12 C4_1 2.216(4) . ?
Al12 C1_1 2.226(4) . ?
Al12 C3_1 2.241(4) . ?
Al12 C2_1 2.252(4) . ?
Al13 O1_59 1.66(2) . ?
Al13 O1_19 1.688(14) . ?
Al13 O1_57 1.69(2) . ?
Al13 O1_48 1.694(18) . ?
Al13 O1_18 1.698(4) . ?
Al13 O1_17 1.713(14) . ?
Al13 F1 1.763(2) . ?
Al14 O1_58 1.60(3) . ?
Al14 O1_22 1.697(3) . ?
Al14 O1_20 1.697(3) . ?
Al14 O1_21 1.703(14) . ?
Al14 O1_65 1.74(2) . ?
Al14 F1 1.761(2) . ?
Al15 O1_49 1.596(10) . ?
Al15 O1_25 1.676(12) . ?
Al15 O1_23 1.685(5) . ?
Al15 O1_46 1.69(2) . ?
Al15 O1_11 1.70(2) . ?
Al15 O1_63 1.739(12) . ?
Al15 O1_24 1.750(5) . ?
Al15 F2 1.761(3) . ?
Al16 O1_47 1.644(16) . ?
Al16 O1_67 1.66(2) . ?
Al16 O1_61 1.667(13) . ?
Al16 O1_50 1.671(19) . ?
Al16 O1_26 1.693(14) . ?
Al16 O1_27 1.703(16) . ?
Al16 O1_28 1.743(11) . ?
Al16 O1_41 1.746(12) . ?
Al16 O1_64 1.753(18) . ?
Al16 F2 1.765(3) . ?
Al17 O1_55 1.61(2) . ?
Al17 O1_60 1.62(2) . ?
Al17 O1_13 1.63(2) . ?
Al17 O1_30 1.704(4) . ?
Al17 O1_31 1.712(5) . ?
Al17 O1_29 1.722(8) . ?
Al17 F3 1.760(3) . ?
Al18 O1_56 1.581(15) . ?
Al18 O1_66 1.631(16) . ?
Al18 O1_34 1.695(19) . ?
Al18 O1_45 1.703(15) . ?
Al18 O1_33 1.704(10) . ?
Al18 O1_44 1.72(2) . ?
Al18 O1_32 1.744(6) . ?
Al18 F3 1.761(3) . ?
Al19 O1_53 1.547(18) . ?
Al19 O1_36 1.690(5) . ?
Al19 O1_35 1.695(6) . ?
Al19 O1_12 1.73(2) . ?
Al19 O1_37 1.742(4) . ?
Al19 F4 1.765(2) . ?
Al19 O1_43 1.77(3) . ?
Al20 O1_52 1.555(15) . ?
Al20 O1_38 1.686(5) . ?
Al20 O1_39 1.704(4) . ?
Al20 O1_40 1.726(8) . ?
Al20 O1_54 1.74(2) . ?
Al20 O1_42 1.745(12) . ?
Al20 O1_51 1.75(2) . ?
Al20 F4 1.767(2) . ?
C1_1 C5_1 1.413(6) . ?
C1_1 C2_1 1.420(6) . ?
C1_1 C10_1 1.500(6) . ?
C2_1 C3_1 1.419(6) . ?
C2_1 C9_1 1.501(6) . ?
C3_1 C4_1 1.424(6) . ?
C3_1 C8_1 1.505(6) . ?
C4_1 C5_1 1.439(6) . ?
C4_1 C7_1 1.498(6) . ?
C5_1 C6_1 1.498(6) . ?
C6_1 H6A_1 0.9800 . ?
C6_1 H6B_1 0.9800 . ?
C6_1 H6C_1 0.9800 . ?
C7_1 H7A_1 0.9800 . ?
C7_1 H7B_1 0.9800 . ?
C7_1 H7C_1 0.9800 . ?
C8_1 H8A_1 0.9800 . ?
C8_1 H8B_1 0.9800 . ?
C8_1 H8C_1 0.9800 . ?
C9_1 H9A_1 0.9800 . ?
C9_1 H9B_1 0.9800 . ?
C9_1 H9C_1 0.9800 . ?
C10_1 H10A_1 0.9800 . ?
C10_1 H10B_1 0.9800 . ?
C10_1 H10C_1 0.9800 . ?
C1_2 C2_2 1.422(6) . ?
C1_2 C5_2 1.424(6) . ?
C1_2 C10_2 1.494(6) . ?
C2_2 C3_2 1.431(5) . ?
C2_2 C9_2 1.502(6) . ?
C3_2 C4_2 1.421(5) . ?
C3_2 C8_2 1.502(6) . ?
C4_2 C5_2 1.430(6) . ?
C4_2 C7_2 1.508(6) . ?
C5_2 C6_2 1.504(6) . ?
C6_2 H6A_2 0.9800 . ?
C6_2 H6B_2 0.9800 . ?
C6_2 H6C_2 0.9800 . ?
C7_2 H7A_2 0.9800 . ?
C7_2 H7B_2 0.9800 . ?
C7_2 H7C_2 0.9800 . ?
C8_2 H8A_2 0.9800 . ?
C8_2 H8B_2 0.9800 . ?
C8_2 H8C_2 0.9800 . ?
C9_2 H9A_2 0.9800 . ?
C9_2 H9B_2 0.9800 . ?
C9_2 H9C_2 0.9800 . ?
C10_2 H10A_2 0.9800 . ?
C10_2 H10B_2 0.9800 . ?
C10_2 H10C_2 0.9800 . ?
C1_3 C2_3 1.422(6) . ?
C1_3 C5_3 1.424(6) . ?
C1_3 C10_3 1.501(6) . ?
C2_3 C3_3 1.434(6) . ?
C2_3 C9_3 1.502(6) . ?
C3_3 C4_3 1.420(6) . ?
C3_3 C8_3 1.489(6) . ?
C4_3 C5_3 1.428(5) . ?
C4_3 C7_3 1.495(6) . ?
C5_3 C6_3 1.496(6) . ?
C6_3 H6A_3 0.9800 . ?
C6_3 H6B_3 0.9800 . ?
C6_3 H6C_3 0.9800 . ?
C7_3 H7A_3 0.9800 . ?
C7_3 H7B_3 0.9800 . ?
C7_3 H7C_3 0.9800 . ?
C8_3 H8A_3 0.9800 . ?
C8_3 H8B_3 0.9800 . ?
C8_3 H8C_3 0.9800 . ?
C9_3 H9A_3 0.9800 . ?
C9_3 H9B_3 0.9800 . ?
C9_3 H9C_3 0.9800 . ?
C10_3 H10A_3 0.9800 . ?
C10_3 H10B_3 0.9800 . ?
C10_3 H10C_3 0.9800 . ?
C1_4 C2_4 1.423(6) . ?
C1_4 C5_4 1.424(6) . ?
C1_4 C10_4 1.499(6) . ?
C2_4 C3_4 1.417(6) . ?
C2_4 C9_4 1.497(6) . ?
C3_4 C4_4 1.418(6) . ?
C3_4 C8_4 1.500(6) . ?
C4_4 C5_4 1.432(6) . ?
C4_4 C7_4 1.502(6) . ?
C5_4 C6_4 1.497(7) . ?
C6_4 H6A_4 0.9800 . ?
C6_4 H6B_4 0.9800 . ?
C6_4 H6C_4 0.9800 . ?
C7_4 H7A_4 0.9800 . ?
C7_4 H7B_4 0.9800 . ?
C7_4 H7C_4 0.9800 . ?
C8_4 H8A_4 0.9800 . ?
C8_4 H8B_4 0.9800 . ?
C8_4 H8C_4 0.9800 . ?
C9_4 H9A_4 0.9800 . ?
C9_4 H9B_4 0.9800 . ?
C9_4 H9C_4 0.9800 . ?
C10_4 H10A_4 0.9800 . ?
C10_4 H10B_4 0.9800 . ?
C10_4 H10C_4 0.9800 . ?
C1_5 C2_5 1.416(6) . ?
C1_5 C5_5 1.432(6) . ?
C1_5 C10_5 1.497(6) . ?
C2_5 C3_5 1.429(5) . ?
C2_5 C9_5 1.499(6) . ?
C3_5 C4_5 1.421(6) . ?
C3_5 C8_5 1.499(6) . ?
C4_5 C5_5 1.428(6) . ?
C4_5 C7_5 1.504(6) . ?
C5_5 C6_5 1.504(6) . ?
C6_5 H6A_5 0.9800 . ?
C6_5 H6B_5 0.9800 . ?
C6_5 H6C_5 0.9800 . ?
C7_5 H7A_5 0.9800 . ?
C7_5 H7B_5 0.9800 . ?
C7_5 H7C_5 0.9800 . ?
C8_5 H8A_5 0.9800 . ?
C8_5 H8B_5 0.9800 . ?
C8_5 H8C_5 0.9800 . ?
C9_5 H9A_5 0.9800 . ?
C9_5 H9B_5 0.9800 . ?
C9_5 H9C_5 0.9800 . ?
C10_5 H10A_5 0.9800 . ?
C10_5 H10B_5 0.9800 . ?
C10_5 H10C_5 0.9800 . ?
C1_6 C5_6 1.428(6) . ?
C1_6 C2_6 1.431(6) . ?
C1_6 C10_6 1.493(6) . ?
C2_6 C3_6 1.422(6) . ?
C2_6 C9_6 1.493(7) . ?
C3_6 C4_6 1.421(6) . ?
C3_6 C8_6 1.500(6) . ?
C4_6 C5_6 1.422(6) . ?
C4_6 C7_6 1.493(7) . ?
C5_6 C6_6 1.497(6) . ?
C6_6 H6A_6 0.9800 . ?
C6_6 H6B_6 0.9800 . ?
C6_6 H6C_6 0.9800 . ?
C7_6 H7A_6 0.9800 . ?
C7_6 H7B_6 0.9800 . ?
C7_6 H7C_6 0.9800 . ?
C8_6 H8A_6 0.9800 . ?
C8_6 H8B_6 0.9800 . ?
C8_6 H8C_6 0.9800 . ?
C9_6 H9A_6 0.9800 . ?
C9_6 H9B_6 0.9800 . ?
C9_6 H9C_6 0.9800 . ?
C10_6 H10A_6 0.9800 . ?
C10_6 H10B_6 0.9800 . ?
C10_6 H10C_6 0.9800 . ?
C1_7 C2_7 1.420(6) . ?
C1_7 C5_7 1.432(5) . ?
C1_7 C10_7 1.498(6) . ?
C2_7 C3_7 1.424(6) . ?
C2_7 C9_7 1.507(6) . ?
C3_7 C4_7 1.424(6) . ?
C3_7 C8_7 1.502(6) . ?
C4_7 C5_7 1.428(6) . ?
C4_7 C7_7 1.493(6) . ?
C5_7 C6_7 1.497(6) . ?
C6_7 H6A_7 0.9800 . ?
C6_7 H6B_7 0.9800 . ?
C6_7 H6C_7 0.9800 . ?
C7_7 H7A_7 0.9800 . ?
C7_7 H7B_7 0.9800 . ?
C7_7 H7C_7 0.9800 . ?
C8_7 H8A_7 0.9800 . ?
C8_7 H8B_7 0.9800 . ?
C8_7 H8C_7 0.9800 . ?
C9_7 H9A_7 0.9800 . ?
C9_7 H9B_7 0.9800 . ?
C9_7 H9C_7 0.9800 . ?
C10_7 H10A_7 0.9800 . ?
C10_7 H10B_7 0.9800 . ?
C10_7 H10C_7 0.9800 . ?
C1_8 C2_8 1.424(5) . ?
C1_8 C5_8 1.430(6) . ?
C1_8 C10_8 1.498(5) . ?
C2_8 C3_8 1.425(5) . ?
C2_8 C9_8 1.496(6) . ?
C3_8 C4_8 1.425(6) . ?
C3_8 C8_8 1.499(5) . ?
C4_8 C5_8 1.418(5) . ?
C4_8 C7_8 1.505(6) . ?
C5_8 C6_8 1.499(6) . ?
C6_8 H6A_8 0.9800 . ?
C6_8 H6B_8 0.9800 . ?
C6_8 H6C_8 0.9800 . ?
C7_8 H7A_8 0.9800 . ?
C7_8 H7B_8 0.9800 . ?
C7_8 H7C_8 0.9800 . ?
C8_8 H8A_8 0.9800 . ?
C8_8 H8B_8 0.9800 . ?
C8_8 H8C_8 0.9800 . ?
C9_8 H9A_8 0.9800 . ?
C9_8 H9B_8 0.9800 . ?
C9_8 H9C_8 0.9800 . ?
C10_8 H10A_8 0.9800 . ?
C10_8 H10B_8 0.9800 . ?
C10_8 H10C_8 0.9800 . ?
C1_9 C2_9 1.422(6) . ?
C1_9 C5_9 1.425(6) . ?
C1_9 C10_9 1.499(6) . ?
C2_9 C3_9 1.429(6) . ?
C2_9 C9_9 1.500(6) . ?
C3_9 C4_9 1.420(5) . ?
C3_9 C8_9 1.498(6) . ?
C4_9 C5_9 1.432(5) . ?
C4_9 C7_9 1.502(6) . ?
C5_9 C6_9 1.497(5) . ?
C6_9 H6A_9 0.9800 . ?
C6_9 H6B_9 0.9800 . ?
C6_9 H6C_9 0.9800 . ?
C7_9 H7A_9 0.9800 . ?
C7_9 H7B_9 0.9800 . ?
C7_9 H7C_9 0.9800 . ?
C8_9 H8A_9 0.9800 . ?
C8_9 H8B_9 0.9800 . ?
C8_9 H8C_9 0.9800 . ?
C9_9 H9A_9 0.9800 . ?
C9_9 H9B_9 0.9800 . ?
C9_9 H9C_9 0.9800 . ?
C10_9 H10A_9 0.9800 . ?
C10_9 H10B_9 0.9800 . ?
C10_9 H10C_9 0.9800 . ?
C5_14 C4_14 1.353(6) . ?
C5_14 C1_14 1.497(5) . ?
C5_14 C10_14 1.498(6) . ?
C6_14 C1_14 1.533(6) . ?
C6_14 H6A_14 0.9800 . ?
C6_14 H6B_14 0.9800 . ?
C6_14 H6C_14 0.9800 . ?
C7_14 C2_14 1.501(6) . ?
C7_14 H7A_14 0.9800 . ?
C7_14 H7B_14 0.9800 . ?
C7_14 H7C_14 0.9800 . ?
C8_14 C3_14 1.497(6) . ?
C8_14 H8A_14 0.9800 . ?
C8_14 H8B_14 0.9800 . ?
C8_14 H8C_14 0.9800 . ?
C9_14 C4_14 1.504(6) . ?
C9_14 H9A_14 0.9800 . ?
C9_14 H9B_14 0.9800 . ?
C9_14 H9C_14 0.9800 . ?
C10_14 H10A_14 0.9800 . ?
C10_14 H10B_14 0.9800 . ?
C10_14 H10C_14 0.9800 . ?
C1_14 C2_14 1.498(5) . ?
C2_14 C3_14 1.346(6) . ?
C3_14 C4_14 1.459(6) . ?
C5_15 C4_15 1.356(6) . ?
C5_15 C1_15 1.486(6) . ?
C5_15 C10_15 1.501(6) . ?
C6_15 C1_15 1.533(6) . ?
C6_15 H6A_15 0.9800 . ?
C6_15 H6B_15 0.9800 . ?
C6_15 H6C_15 0.9800 . ?
C7_15 C2_15 1.506(6) . ?
C7_15 H7A_15 0.9800 . ?
C7_15 H7B_15 0.9800 . ?
C7_15 H7C_15 0.9800 . ?
C8_15 C3_15 1.506(6) . ?
C8_15 H8A_15 0.9800 . ?
C8_15 H8B_15 0.9800 . ?
C8_15 H8C_15 0.9800 . ?
C9_15 C4_15 1.497(6) . ?
C9_15 H9A_15 0.9800 . ?
C9_15 H9B_15 0.9800 . ?
C9_15 H9C_15 0.9800 . ?
C10_15 H10A_15 0.9800 . ?
C10_15 H10B_15 0.9800 . ?
C10_15 H10C_15 0.9800 . ?
C1_15 C2_15 1.489(6) . ?
C2_15 C3_15 1.355(6) . ?
C3_15 C4_15 1.459(6) . ?
C5_16 C4_16 1.357(5) . ?
C5_16 C10_16 1.502(6) . ?
C5_16 C1_16 1.503(5) . ?
C6_16 C1_16 1.526(6) . ?
C6_16 H6A_16 0.9800 . ?
C6_16 H6B_16 0.9800 . ?
C6_16 H6C_16 0.9800 . ?
C7_16 C2_16 1.497(6) . ?
C7_16 H7A_16 0.9800 . ?
C7_16 H7B_16 0.9800 . ?
C7_16 H7C_16 0.9800 . ?
C8_16 C3_16 1.506(5) . ?
C8_16 H8A_16 0.9800 . ?
C8_16 H8B_16 0.9800 . ?
C8_16 H8C_16 0.9800 . ?
C9_16 C4_16 1.499(5) . ?
C9_16 H9A_16 0.9800 . ?
C9_16 H9B_16 0.9800 . ?
C9_16 H9C_16 0.9800 . ?
C10_16 H10A_16 0.9800 . ?
C10_16 H10B_16 0.9800 . ?
C10_16 H10C_16 0.9800 . ?
C1_16 C2_16 1.500(5) . ?
C2_16 C3_16 1.356(5) . ?
C3_16 C4_16 1.455(6) . ?
O1_17 C1_17 1.354(9) . ?
C1_17 C2_17 1.539(10) . ?
C1_17 C4_17 1.551(10) . ?
C1_17 C3_17 1.573(10) . ?
C2_17 F1_17 1.308(10) . ?
C2_17 F2_17 1.311(10) . ?
C2_17 F3_17 1.360(10) . ?
C3_17 F5_17 1.293(10) . ?
C3_17 F6_17 1.311(9) . ?
C3_17 F4_17 1.374(11) . ?
C4_17 F7_17 1.312(11) . ?
C4_17 F8_17 1.313(10) . ?
C4_17 F9_17 1.379(11) . ?
O1_18 C1_18 1.358(6) . ?
C1_18 C3_18 1.526(8) . ?
C1_18 C2_18 1.552(8) . ?
C1_18 C4_18 1.565(9) . ?
C2_18 F2_18 1.327(7) . ?
C2_18 F3_18 1.332(8) . ?
C2_18 F1_18 1.383(8) . ?
C3_18 F4_18 1.304(8) . ?
C3_18 F6_18 1.327(7) . ?
C3_18 F5_18 1.365(9) . ?
C4_18 F9_18 1.316(9) . ?
C4_18 F8_18 1.319(7) . ?
C4_18 F7_18 1.356(8) . ?
O1_19 C1_19 1.351(10) . ?
C1_19 C3_19 1.542(10) . ?
C1_19 C2_19 1.556(10) . ?
C1_19 C4_19 1.557(10) . ?
C2_19 F1_19 1.282(10) . ?
C2_19 F3_19 1.344(11) . ?
C2_19 F2_19 1.367(11) . ?
C3_19 F5_19 1.344(10) . ?
C3_19 F4_19 1.347(10) . ?
C3_19 F6_19 1.349(10) . ?
C4_19 F8_19 1.295(10) . ?
C4_19 F9_19 1.341(9) . ?
C4_19 F7_19 1.345(10) . ?
O1_20 C1_20 1.357(5) . ?
C1_20 C3_20 1.541(6) . ?
C1_20 C2_20 1.549(6) . ?
C1_20 C4_20 1.550(6) . ?
C2_20 F3_20 1.315(7) . ?
C2_20 F1_20 1.334(8) . ?
C2_20 F2_20 1.334(6) . ?
C3_20 F4_20 1.320(6) . ?
C3_20 F5_20 1.328(6) . ?
C3_20 F6_20 1.336(6) . ?
C4_20 F9_20 1.325(6) . ?
C4_20 F8_20 1.328(5) . ?
C4_20 F7_20 1.330(6) . ?
O1_21 C1_21 1.363(9) . ?
C1_21 C2_21 1.536(9) . ?
C1_21 C4_21 1.552(9) . ?
C1_21 C3_21 1.556(9) . ?
C2_21 F2_21 1.328(9) . ?
C2_21 F1_21 1.335(10) . ?
C2_21 F3_21 1.348(9) . ?
C3_21 F4_21 1.317(9) . ?
C3_21 F6_21 1.328(9) . ?
C3_21 F5_21 1.346(9) . ?
C4_21 F7_21 1.329(10) . ?
C4_21 F9_21 1.341(9) . ?
C4_21 F8_21 1.342(10) . ?
O1_22 C1_22 1.346(5) . ?
C1_22 C4_22 1.536(7) . ?
C1_22 C2_22 1.536(7) . ?
C1_22 C3_22 1.546(7) . ?
C2_22 F3_22 1.314(6) . ?
C2_22 F2_22 1.330(6) . ?
C2_22 F1_22 1.349(6) . ?
C3_22 F6_22 1.308(8) . ?
C3_22 F4_22 1.323(8) . ?
C3_22 F5_22 1.350(8) . ?
C4_22 F9_22 1.327(7) . ?
C4_22 F7_22 1.328(7) . ?
C4_22 F8_22 1.332(6) . ?
O1_23 C1_23 1.354(6) . ?
C1_23 C2_23 1.533(7) . ?
C1_23 C3_23 1.539(8) . ?
C1_23 C4_23 1.553(7) . ?
C2_23 F3_23 1.333(7) . ?
C2_23 F1_23 1.335(7) . ?
C2_23 F2_23 1.336(7) . ?
C3_23 F5_23 1.320(8) . ?
C3_23 F4_23 1.325(8) . ?
C3_23 F6_23 1.343(7) . ?
C4_23 F8_23 1.318(7) . ?
C4_23 F7_23 1.327(8) . ?
C4_23 F9_23 1.328(8) . ?
O1_24 C1_24 1.341(7) . ?
C1_24 C2_24 1.541(8) . ?
C1_24 C4_24 1.544(8) . ?
C1_24 C3_24 1.559(9) . ?
C2_24 F3_24 1.317(8) . ?
C2_24 F2_24 1.320(8) . ?
C2_24 F1_24 1.343(9) . ?
C3_24 F4_24 1.299(9) . ?
C3_24 F5_24 1.332(9) . ?
C3_24 F6_24 1.343(9) . ?
C4_24 F8_24 1.321(8) . ?
C4_24 F9_24 1.337(8) . ?
C4_24 F7_24 1.347(8) . ?
O1_25 C1_25 1.347(11) . ?
C1_25 C2_25 1.541(11) . ?
C1_25 C3_25 1.543(11) . ?
C1_25 C4_25 1.550(11) . ?
C2_25 F1_25 1.300(11) . ?
C2_25 F3_25 1.360(11) . ?
C2_25 F2_25 1.364(11) . ?
C3_25 F5_25 1.316(11) . ?
C3_25 F6_25 1.342(11) . ?
C3_25 F4_25 1.354(11) . ?
C4_25 F7_25 1.282(11) . ?
C4_25 F8_25 1.326(11) . ?
C4_25 F9_25 1.353(12) . ?
O1_26 C1_26 1.368(10) . ?
C1_26 C2_26 1.534(11) . ?
C1_26 C4_26 1.545(11) . ?
C1_26 C3_26 1.549(11) . ?
C2_26 F3_26 1.260(11) . ?
C2_26 F2_26 1.300(10) . ?
C2_26 F1_26 1.383(12) . ?
C3_26 F6_26 1.326(10) . ?
C3_26 F5_26 1.344(11) . ?
C3_26 F4_26 1.372(11) . ?
C4_26 F7_26 1.328(11) . ?
C4_26 F8_26 1.335(11) . ?
C4_26 F9_26 1.356(11) . ?
O1_30 C1_30 1.356(5) . ?
C1_30 C2_30 1.536(6) . ?
C1_30 C4_30 1.549(7) . ?
C1_30 C3_30 1.550(7) . ?
C2_30 F3_30 1.328(6) . ?
C2_30 F1_30 1.332(6) . ?
C2_30 F2_30 1.342(6) . ?
C3_30 F4_30 1.320(7) . ?
C3_30 F6_30 1.329(7) . ?
C3_30 F5_30 1.329(7) . ?
C4_30 F9_30 1.311(6) . ?
C4_30 F7_30 1.319(6) . ?
C4_30 F8_30 1.339(6) . ?
O1_31 C1_31 1.344(6) . ?
C1_31 C4_31 1.533(8) . ?
C1_31 C2_31 1.544(8) . ?
C1_31 C3_31 1.546(7) . ?
C2_31 F3_31 1.316(8) . ?
C2_31 F1_31 1.332(8) . ?
C2_31 F2_31 1.362(8) . ?
C3_31 F5_31 1.319(8) . ?
C3_31 F6_31 1.327(7) . ?
C3_31 F4_31 1.329(7) . ?
C4_31 F9_31 1.325(8) . ?
C4_31 F7_31 1.335(8) . ?
C4_31 F8_31 1.341(8) . ?
O1_32 C1_32 1.349(6) . ?
C1_32 C2_32 1.551(8) . ?
C1_32 C4_32 1.551(7) . ?
C1_32 C3_32 1.553(8) . ?
C2_32 F1_32 1.288(8) . ?
C2_32 F3_32 1.308(7) . ?
C2_32 F2_32 1.358(7) . ?
C3_32 F4_32 1.312(8) . ?
C3_32 F5_32 1.317(8) . ?
C3_32 F6_32 1.361(7) . ?
C4_32 F9_32 1.292(8) . ?
C4_32 F8_32 1.314(7) . ?
C4_32 F7_32 1.374(9) . ?
O1_33 C1_33 1.355(8) . ?
C1_33 C4_33 1.533(9) . ?
C1_33 C2_33 1.548(10) . ?
C1_33 C3_33 1.554(9) . ?
C2_33 F3_33 1.285(9) . ?
C2_33 F2_33 1.306(8) . ?
C2_33 F1_33 1.383(10) . ?
C3_33 F4_33 1.293(10) . ?
C3_33 F6_33 1.301(8) . ?
C3_33 F5_33 1.365(10) . ?
C4_33 F9_33 1.291(8) . ?
C4_33 F8_33 1.333(8) . ?
C4_33 F7_33 1.369(9) . ?
O1_35 C1_35 1.368(6) . ?
C1_35 C2_35 1.534(7) . ?
C1_35 C3_35 1.538(7) . ?
C1_35 C4_35 1.566(7) . ?
C2_35 F3_35 1.334(7) . ?
C2_35 F2_35 1.349(7) . ?
C2_35 F1_35 1.361(7) . ?
C3_35 F4_35 1.311(7) . ?
C3_35 F6_35 1.332(6) . ?
C3_35 F5_35 1.371(8) . ?
C4_35 F9_35 1.307(7) . ?
C4_35 F7_35 1.342(7) . ?
C4_35 F8_35 1.343(7) . ?
O1_36 C1_36 1.354(6) . ?
C1_36 C2_36 1.546(7) . ?
C1_36 C3_36 1.549(7) . ?
C1_36 C4_36 1.551(7) . ?
C2_36 F3_36 1.326(7) . ?
C2_36 F1_36 1.334(7) . ?
C2_36 F2_36 1.345(6) . ?
C3_36 F4_36 1.309(6) . ?
C3_36 F6_36 1.340(6) . ?
C3_36 F5_36 1.345(7) . ?
C4_36 F9_36 1.320(6) . ?
C4_36 F8_36 1.335(6) . ?
C4_36 F7_36 1.343(6) . ?
O1_37 C1_37 1.355(5) . ?
C1_37 C2_37 1.550(7) . ?
C1_37 C4_37 1.551(7) . ?
C1_37 C3_37 1.554(7) . ?
C2_37 F2_37 1.323(6) . ?
C2_37 F1_37 1.333(7) . ?
C2_37 F3_37 1.334(7) . ?
C3_37 F4_37 1.313(7) . ?
C3_37 F5_37 1.332(7) . ?
C3_37 F6_37 1.343(6) . ?
C4_37 F9_37 1.326(6) . ?
C4_37 F7_37 1.328(7) . ?
C4_37 F8_37 1.337(6) . ?
O1_38 C1_38 1.357(6) . ?
C1_38 C3_38 1.544(7) . ?
C1_38 C4_38 1.552(7) . ?
C1_38 C2_38 1.552(7) . ?
C2_38 F3_38 1.318(7) . ?
C2_38 F1_38 1.332(7) . ?
C2_38 F2_38 1.338(7) . ?
C3_38 F6_38 1.324(7) . ?
C3_38 F4_38 1.339(7) . ?
C3_38 F5_38 1.340(8) . ?
C4_38 F9_38 1.322(7) . ?
C4_38 F8_38 1.327(7) . ?
C4_38 F7_38 1.328(7) . ?
O1_39 C1_39 1.351(6) . ?
C1_39 C4_39 1.549(7) . ?
C1_39 C2_39 1.555(8) . ?
C1_39 C3_39 1.555(7) . ?
C2_39 F1_39 1.327(6) . ?
C2_39 F3_39 1.328(7) . ?
C2_39 F2_39 1.332(7) . ?
C3_39 F4_39 1.321(7) . ?
C3_39 F5_39 1.338(7) . ?
C3_39 F6_39 1.341(7) . ?
C4_39 F9_39 1.324(7) . ?
C4_39 F7_39 1.336(8) . ?
C4_39 F8_39 1.343(7) . ?
O1_40 C1_40 1.361(8) . ?
C1_40 C4_40 1.540(9) . ?
C1_40 C3_40 1.548(9) . ?
C1_40 C2_40 1.565(9) . ?
C2_40 F1_40 1.303(9) . ?
C2_40 F2_40 1.319(8) . ?
C2_40 F3_40 1.336(9) . ?
C3_40 F6_40 1.324(8) . ?
C3_40 F4_40 1.328(9) . ?
C3_40 F5_40 1.333(9) . ?
C4_40 F9_40 1.315(9) . ?
C4_40 F7_40 1.319(9) . ?
C4_40 F8_40 1.347(8) . ?
O1_28 C1_28 1.344(10) . ?
C1_28 C4_28 1.541(11) . ?
C1_28 C3_28 1.543(11) . ?
C1_28 C2_28 1.546(11) . ?
C2_28 F3_28 1.284(11) . ?
C2_28 F1_28 1.323(11) . ?
C2_28 F2_28 1.350(11) . ?
C3_28 F6_28 1.282(10) . ?
C3_28 F5_28 1.335(11) . ?
C3_28 F4_28 1.383(11) . ?
F5_28 F3_27 1.777(13) . ?
C4_28 F9_28 1.261(10) . ?
C4_28 F8_28 1.319(10) . ?
C4_28 F7_28 1.325(11) . ?
O1_34 C1_34 1.369(13) . ?
C1_34 C2_34 1.535(12) . ?
C1_34 C3_34 1.541(12) . ?
C1_34 C4_34 1.557(12) . ?
C2_34 F3_34 1.307(12) . ?
C2_34 F2_34 1.327(13) . ?
C2_34 F1_34 1.331(13) . ?
C3_34 F6_34 1.322(12) . ?
C3_34 F4_34 1.337(12) . ?
C3_34 F5_34 1.340(13) . ?
C4_34 F8_34 1.279(12) . ?
C4_34 F9_34 1.379(12) . ?
C4_34 F7_34 1.400(13) . ?
O1_27 C1_27 1.343(12) . ?
C1_27 C4_27 1.529(12) . ?
C1_27 C2_27 1.544(12) . ?
C1_27 C3_27 1.562(12) . ?
C2_27 F1_27 1.277(12) . ?
C2_27 F2_27 1.313(12) . ?
C2_27 F3_27 1.356(12) . ?
C3_27 F6_27 1.301(12) . ?
C3_27 F4_27 1.331(12) . ?
C3_27 F5_27 1.332(12) . ?
C4_27 F7_27 1.303(12) . ?
C4_27 F9_27 1.335(12) . ?
C4_27 F8_27 1.342(12) . ?
O1_41 C1_41 1.360(11) . ?
C1_41 C3_41 1.528(12) . ?
C1_41 C4_41 1.550(11) . ?
C1_41 C2_41 1.575(11) . ?
C2_41 F3_41 1.324(11) . ?
C2_41 F2_41 1.326(11) . ?
C2_41 F1_41 1.366(11) . ?
C3_41 F4_41 1.297(12) . ?
C3_41 F6_41 1.354(11) . ?
C3_41 F5_41 1.369(12) . ?
C4_41 F9_41 1.272(11) . ?
C4_41 F8_41 1.353(11) . ?
C4_41 F7_41 1.371(11) . ?
O1_42 C1_42 1.358(12) . ?
C1_42 C3_42 1.543(12) . ?
C1_42 C2_42 1.543(12) . ?
C1_42 C4_42 1.548(12) . ?
C2_42 F1_42 1.331(12) . ?
C2_42 F3_42 1.333(12) . ?
C2_42 F2_42 1.335(12) . ?
C3_42 F6_42 1.327(12) . ?
C3_42 F5_42 1.332(12) . ?
C3_42 F4_42 1.334(12) . ?
C4_42 F9_42 1.325(12) . ?
C4_42 F7_42 1.327(13) . ?
C4_42 F8_42 1.332(13) . ?
O1_43 C1_43 1.357(13) . ?
C1_43 C2_43 1.539(12) . ?
C1_43 C3_43 1.543(12) . ?
C1_43 C4_43 1.554(12) . ?
C2_43 F3_43 1.338(13) . ?
C2_43 F2_43 1.339(13) . ?
C2_43 F1_43 1.340(13) . ?
C3_43 F6_43 1.323(13) . ?
C3_43 F4_43 1.327(13) . ?
C3_43 F5_43 1.337(13) . ?
C4_43 F9_43 1.326(13) . ?
C4_43 F8_43 1.337(13) . ?
C4_43 F7_43 1.341(13) . ?
O1_44 C1_44 1.361(12) . ?
C1_44 C2_44 1.540(12) . ?
C1_44 C4_44 1.540(12) . ?
C1_44 C3_44 1.543(12) . ?
C2_44 F3_44 1.324(12) . ?
C2_44 F1_44 1.349(13) . ?
C2_44 F2_44 1.352(13) . ?
C3_44 F6_44 1.331(12) . ?
C3_44 F4_44 1.338(12) . ?
C3_44 F5_44 1.350(12) . ?
C4_44 F8_44 1.317(12) . ?
C4_44 F9_44 1.334(12) . ?
C4_44 F7_44 1.372(12) . ?
O1_45 C1_45 1.349(12) . ?
C1_45 C4_45 1.526(11) . ?
C1_45 C2_45 1.538(12) . ?
C1_45 C3_45 1.553(11) . ?
C2_45 F2_45 1.307(12) . ?
C2_45 F1_45 1.323(12) . ?
C2_45 F3_45 1.336(12) . ?
C3_45 F5_45 1.306(12) . ?
C3_45 F4_45 1.350(12) . ?
C3_45 F6_45 1.354(12) . ?
C4_45 F8_45 1.245(12) . ?
C4_45 F7_45 1.330(12) . ?
C4_45 F9_45 1.380(12) . ?
O1_46 C1_46 1.340(13) . ?
C1_46 C4_46 1.515(12) . ?
C1_46 C2_46 1.559(12) . ?
C1_46 C3_46 1.564(13) . ?
C2_46 F1_46 1.306(13) . ?
C2_46 F2_46 1.332(13) . ?
C2_46 F3_46 1.332(13) . ?
C3_46 F4_46 1.300(13) . ?
C3_46 F6_46 1.340(13) . ?
C3_46 F5_46 1.355(13) . ?
C4_46 F8_46 1.314(13) . ?
C4_46 F9_46 1.330(13) . ?
C4_46 F7_46 1.388(13) . ?
O1_47 C1_47 1.352(12) . ?
C1_47 C2_47 1.532(12) . ?
C1_47 C4_47 1.541(12) . ?
C1_47 C3_47 1.578(12) . ?
C2_47 F2_47 1.310(12) . ?
C2_47 F3_47 1.329(12) . ?
C2_47 F1_47 1.348(12) . ?
C3_47 F4_47 1.311(12) . ?
C3_47 F6_47 1.339(12) . ?
C3_47 F5_47 1.359(12) . ?
C4_47 F7_47 1.322(12) . ?
C4_47 F8_47 1.342(12) . ?
C4_47 F9_47 1.389(12) . ?
O1_48 C1_48 1.354(12) . ?
C1_48 C3_48 1.535(11) . ?
C1_48 C2_48 1.547(11) . ?
C1_48 C4_48 1.566(12) . ?
C2_48 F1_48 1.303(11) . ?
C2_48 F3_48 1.309(12) . ?
C2_48 F2_48 1.341(11) . ?
C3_48 F5_48 1.318(11) . ?
C3_48 F4_48 1.341(11) . ?
C3_48 F6_48 1.353(12) . ?
C4_48 F8_48 1.321(12) . ?
C4_48 F7_48 1.330(12) . ?
C4_48 F9_48 1.347(12) . ?
F9_48 F4_58 1.60(3) . ?
O1_49 C1_49 1.350(12) . ?
C1_49 C3_49 1.532(12) . ?
C1_49 C2_49 1.543(12) . ?
C1_49 C4_49 1.547(12) . ?
C2_49 F3_49 1.321(12) . ?
C2_49 F2_49 1.325(12) . ?
C2_49 F1_49 1.334(13) . ?
C3_49 F4_49 1.321(12) . ?
C3_49 F6_49 1.334(12) . ?
C3_49 F5_49 1.340(13) . ?
C4_49 F9_49 1.319(12) . ?
C4_49 F7_49 1.334(12) . ?
C4_49 F8_49 1.336(12) . ?
O1_50 C1_50 1.366(12) . ?
C1_50 C4_50 1.537(11) . ?
C1_50 C2_50 1.544(11) . ?
C1_50 C3_50 1.549(11) . ?
C2_50 F1_50 1.334(12) . ?
C2_50 F2_50 1.338(11) . ?
C2_50 F3_50 1.357(12) . ?
C3_50 F5_50 1.299(11) . ?
C3_50 F6_50 1.329(11) . ?
C3_50 F4_50 1.351(12) . ?
C4_50 F9_50 1.273(11) . ?
C4_50 F8_50 1.287(11) . ?
C4_50 F7_50 1.378(12) . ?
O1_51 C1_51 1.356(13) . ?
C1_51 C2_51 1.540(12) . ?
C1_51 C3_51 1.546(12) . ?
C1_51 C4_51 1.549(12) . ?
C2_51 F1_51 1.322(13) . ?
C2_51 F2_51 1.324(12) . ?
C2_51 F3_51 1.329(13) . ?
C3_51 F5_51 1.296(13) . ?
C3_51 F4_51 1.319(13) . ?
C3_51 F6_51 1.324(12) . ?
C4_51 F8_51 1.328(13) . ?
C4_51 F9_51 1.334(13) . ?
C4_51 F7_51 1.334(13) . ?
O1_52 C1_52 1.352(13) . ?
C1_52 C2_52 1.533(12) . ?
C1_52 C3_52 1.538(12) . ?
C1_52 C4_52 1.558(12) . ?
C2_52 F2_52 1.331(13) . ?
C2_52 F3_52 1.331(13) . ?
C2_52 F1_52 1.337(13) . ?
C3_52 F4_52 1.324(13) . ?
C3_52 F6_52 1.329(13) . ?
C3_52 F5_52 1.329(13) . ?
C4_52 F8_52 1.317(13) . ?
C4_52 F9_52 1.323(13) . ?
C4_52 F7_52 1.336(13) . ?
O1_53 C1_53 1.356(13) . ?
C1_53 C2_53 1.543(12) . ?
C1_53 C3_53 1.546(12) . ?
C1_53 C4_53 1.548(12) . ?
C2_53 F1_53 1.327(13) . ?
C2_53 F2_53 1.331(13) . ?
C2_53 F3_53 1.334(13) . ?
C3_53 F5_53 1.325(13) . ?
C3_53 F4_53 1.330(13) . ?
C3_53 F6_53 1.330(13) . ?
C4_53 F7_53 1.331(13) . ?
C4_53 F8_53 1.332(13) . ?
C4_53 F9_53 1.336(13) . ?
O1_54 C1_54 1.355(13) . ?
C1_54 C3_54 1.543(12) . ?
C1_54 C2_54 1.547(12) . ?
C1_54 C4_54 1.560(12) . ?
C2_54 F1_54 1.330(13) . ?
C2_54 F3_54 1.332(13) . ?
C2_54 F2_54 1.332(13) . ?
C3_54 F4_54 1.330(13) . ?
C3_54 F5_54 1.334(13) . ?
C3_54 F6_54 1.352(13) . ?
C4_54 F8_54 1.320(13) . ?
C4_54 F9_54 1.328(13) . ?
C4_54 F7_54 1.329(13) . ?
O1_29 C1_29 1.361(8) . ?
C1_29 C2_29 1.543(8) . ?
C1_29 C4_29 1.558(9) . ?
C1_29 C3_29 1.561(8) . ?
C2_29 F3_29 1.311(8) . ?
C2_29 F2_29 1.339(8) . ?
C2_29 F1_29 1.350(8) . ?
C3_29 F6_29 1.319(7) . ?
C3_29 F4_29 1.327(8) . ?
C3_29 F5_29 1.334(8) . ?
C4_29 F9_29 1.327(9) . ?
C4_29 F7_29 1.349(10) . ?
C4_29 F8_29 1.350(9) . ?
O1_55 C1_55 1.354(13) . ?
C1_55 C4_55 1.541(12) . ?
C1_55 C2_55 1.543(12) . ?
C1_55 C3_55 1.547(12) . ?
C2_55 F2_55 1.323(13) . ?
C2_55 F3_55 1.330(13) . ?
C2_55 F1_55 1.340(13) . ?
C3_55 F4_55 1.326(13) . ?
C3_55 F6_55 1.335(13) . ?
C3_55 F5_55 1.339(13) . ?
C4_55 F7_55 1.331(13) . ?
C4_55 F9_55 1.335(13) . ?
C4_55 F8_55 1.336(13) . ?
O1_56 C1_56 1.341(12) . ?
C1_56 C2_56 1.525(12) . ?
C1_56 C4_56 1.562(12) . ?
C1_56 C3_56 1.563(12) . ?
C2_56 F3_56 1.338(13) . ?
C2_56 F2_56 1.343(13) . ?
C2_56 F1_56 1.363(13) . ?
C3_56 F6_56 1.301(12) . ?
C3_56 F4_56 1.322(13) . ?
C3_56 F5_56 1.329(13) . ?
C4_56 F9_56 1.346(12) . ?
C4_56 F7_56 1.347(13) . ?
C4_56 F8_56 1.357(12) . ?
O1_57 C1_57 1.352(12) . ?
C1_57 C2_57 1.545(11) . ?
C1_57 C4_57 1.549(11) . ?
C1_57 C3_57 1.551(11) . ?
C2_57 F2_57 1.319(11) . ?
C2_57 F3_57 1.332(12) . ?
C2_57 F1_57 1.347(12) . ?
C3_57 F6_57 1.326(11) . ?
C3_57 F4_57 1.336(11) . ?
C3_57 F5_57 1.348(12) . ?
C4_57 F9_57 1.332(11) . ?
C4_57 F8_57 1.338(12) . ?
C4_57 F7_57 1.358(12) . ?
O1_58 C1_58 1.352(14) . ?
C1_58 C2_58 1.543(13) . ?
C1_58 C3_58 1.548(13) . ?
C1_58 C4_58 1.550(13) . ?
C2_58 F3_58 1.331(14) . ?
C2_58 F2_58 1.335(14) . ?
C2_58 F1_58 1.335(14) . ?
C3_58 F4_58 1.319(14) . ?
C3_58 F5_58 1.327(14) . ?
C3_58 F6_58 1.334(14) . ?
C4_58 F9_58 1.323(14) . ?
C4_58 F8_58 1.333(14) . ?
C4_58 F7_58 1.340(14) . ?
O1_59 C1_59 1.348(14) . ?
C1_59 C4_59 1.538(13) . ?
C1_59 C3_59 1.545(13) . ?
C1_59 C2_59 1.553(13) . ?
C2_59 F3_59 1.314(14) . ?
C2_59 F1_59 1.327(14) . ?
C2_59 F2_59 1.338(14) . ?
C3_59 F6_59 1.316(14) . ?
C3_59 F4_59 1.326(13) . ?
C3_59 F5_59 1.339(13) . ?
C4_59 F9_59 1.329(14) . ?
C4_59 F7_59 1.330(13) . ?
C4_59 F8_59 1.331(14) . ?
O1_60 C1_60 1.363(13) . ?
C1_60 C2_60 1.534(12) . ?
C1_60 C4_60 1.542(12) . ?
C1_60 C3_60 1.547(12) . ?
C2_60 F2_60 1.314(13) . ?
C2_60 F1_60 1.322(13) . ?
C2_60 F3_60 1.336(13) . ?
C3_60 F4_60 1.321(13) . ?
C3_60 F6_60 1.326(13) . ?
C3_60 F5_60 1.340(13) . ?
C4_60 F9_60 1.311(13) . ?
C4_60 F8_60 1.330(13) . ?
C4_60 F7_60 1.340(13) . ?
O1_61 C1_61 1.361(11) . ?
C1_61 C2_61 1.515(11) . ?
C1_61 C4_61 1.543(11) . ?
C1_61 C3_61 1.568(12) . ?
C2_61 F3_61 1.288(11) . ?
C2_61 F2_61 1.326(11) . ?
C2_61 F1_61 1.392(12) . ?
C3_61 F6_61 1.315(12) . ?
C3_61 F4_61 1.320(11) . ?
C3_61 F5_61 1.350(12) . ?
C4_61 F9_61 1.274(12) . ?
C4_61 F8_61 1.332(11) . ?
C4_61 F7_61 1.361(12) . ?
Si1_62 C1D_62 1.955(4) . ?
Si1_62 Al2_62 2.4709(19) . ?
Si1_62 Al3_62 2.4817(18) . ?
Si1_62 Al1_62 2.4875(17) . ?
Al1_62 C4C_62 2.194(5) . ?
Al1_62 C3C_62 2.218(5) . ?
Al1_62 C5C_62 2.229(4) . ?
Al1_62 C1C_62 2.276(5) . ?
Al1_62 C2C_62 2.281(5) . ?
Al1_62 Al2_62 2.803(2) . ?
Al1_62 Al3_62 2.8098(19) . ?
Al2_62 C4A_62 2.195(5) . ?
Al2_62 C5A_62 2.200(4) . ?
Al2_62 C1A_62 2.229(5) . ?
Al2_62 C3A_62 2.237(5) . ?
Al2_62 C2A_62 2.267(5) . ?
Al2_62 Al3_62 2.773(2) . ?
Al3_62 C2B_62 2.177(5) . ?
Al3_62 C3B_62 2.195(5) . ?
Al3_62 C1B_62 2.230(5) . ?
Al3_62 C4B_62 2.253(4) . ?
Al3_62 C5B_62 2.276(5) . ?
C1A_62 C5A_62 1.411(6) . ?
C1A_62 C2A_62 1.429(7) . ?
C1A_62 C6A_62 1.506(6) . ?
C2A_62 C3A_62 1.434(6) . ?
C2A_62 C7A_62 1.506(7) . ?
C3A_62 C4A_62 1.395(7) . ?
C3A_62 C8A_62 1.509(7) . ?
C4A_62 C5A_62 1.420(6) . ?
C4A_62 C9A_62 1.511(6) . ?
C5A_62 C10A_62 1.493(6) . ?
C10A_62 H10A_62 0.9800 . ?
C10A_62 H10B_62 0.9800 . ?
C10A_62 H10C_62 0.9800 . ?
C9A_62 H9AA_62 0.9800 . ?
C9A_62 H9AB_62 0.9800 . ?
C9A_62 H9AC_62 0.9800 . ?
C8A_62 H8AA_62 0.9800 . ?
C8A_62 H8AB_62 0.9800 . ?
C8A_62 H8AC_62 0.9800 . ?
C7A_62 H7AA_62 0.9800 . ?
C7A_62 H7AB_62 0.9800 . ?
C7A_62 H7AC_62 0.9800 . ?
C6A_62 H6AA_62 0.9800 . ?
C6A_62 H6AB_62 0.9800 . ?
C6A_62 H6AC_62 0.9800 . ?
C1B_62 C2B_62 1.395(7) . ?
C1B_62 C5B_62 1.436(6) . ?
C1B_62 C6B_62 1.500(7) . ?
C2B_62 C3B_62 1.408(7) . ?
C2B_62 C7B_62 1.520(7) . ?
C3B_62 C4B_62 1.403(7) . ?
C3B_62 C8B_62 1.519(7) . ?
C4B_62 C5B_62 1.423(6) . ?
C4B_62 C9B_62 1.516(6) . ?
C5B_62 C10B_62 1.493(7) . ?
C10B_62 H10D_62 0.9800 . ?
C10B_62 H10E_62 0.9800 . ?
C10B_62 H10F_62 0.9800 . ?
C9B_62 H9BA_62 0.9800 . ?
C9B_62 H9BB_62 0.9800 . ?
C9B_62 H9BC_62 0.9800 . ?
C8B_62 H8BA_62 0.9800 . ?
C8B_62 H8BB_62 0.9800 . ?
C8B_62 H8BC_62 0.9800 . ?
C7B_62 H7BA_62 0.9800 . ?
C7B_62 H7BB_62 0.9800 . ?
C7B_62 H7BC_62 0.9800 . ?
C6B_62 H6BA_62 0.9800 . ?
C6B_62 H6BB_62 0.9800 . ?
C6B_62 H6BC_62 0.9800 . ?
C1C_62 C5C_62 1.423(6) . ?
C1C_62 C2C_62 1.427(6) . ?
C1C_62 C6C_62 1.508(7) . ?
C2C_62 C3C_62 1.404(7) . ?
C2C_62 C7C_62 1.503(7) . ?
C3C_62 C4C_62 1.413(7) . ?
C3C_62 C8C_62 1.505(7) . ?
C4C_62 C5C_62 1.406(6) . ?
C4C_62 C9C_62 1.515(7) . ?
C5C_62 C10C_62 1.503(6) . ?
C10C_62 H10G_62 0.9800 . ?
C10C_62 H10H_62 0.9800 . ?
C10C_62 H10I_62 0.9800 . ?
C9C_62 H9CA_62 0.9800 . ?
C9C_62 H9CB_62 0.9800 . ?
C9C_62 H9CC_62 0.9800 . ?
C8C_62 H8CA_62 0.9800 . ?
C8C_62 H8CB_62 0.9800 . ?
C8C_62 H8CC_62 0.9800 . ?
C7C_62 H7CA_62 0.9800 . ?
C7C_62 H7CB_62 0.9800 . ?
C7C_62 H7CC_62 0.9800 . ?
C6C_62 H6CA_62 0.9800 . ?
C6C_62 H6CB_62 0.9800 . ?
C6C_62 H6CC_62 0.9800 . ?
C5D_62 C4D_62 1.350(7) . ?
C5D_62 C1D_62 1.486(6) . ?
C5D_62 C10D_62 1.489(7) . ?
C6D_62 C1D_62 1.536(7) . ?
C6D_62 H6DA_62 0.9800 . ?
C6D_62 H6DB_62 0.9800 . ?
C6D_62 H6DC_62 0.9800 . ?
C7D_62 C2D_62 1.499(7) . ?
C7D_62 H7DA_62 0.9800 . ?
C7D_62 H7DB_62 0.9800 . ?
C7D_62 H7DC_62 0.9800 . ?
C8D_62 C3D_62 1.518(7) . ?
C8D_62 H8DA_62 0.9800 . ?
C8D_62 H8DB_62 0.9800 . ?
C8D_62 H8DC_62 0.9800 . ?
C9D_62 C4D_62 1.519(7) . ?
C9D_62 H9DA_62 0.9800 . ?
C9D_62 H9DB_62 0.9800 . ?
C9D_62 H9DC_62 0.9800 . ?
C10D_62 H10J_62 0.9800 . ?
C10D_62 H10K_62 0.9800 . ?
C10D_62 H10L_62 0.9800 . ?
C1D_62 C2D_62 1.485(6) . ?
C2D_62 C3D_62 1.354(6) . ?
C3D_62 C4D_62 1.455(7) . ?
O1_11 C1_11 1.357(13) . ?
C1_11 C4_11 1.534(12) . ?
C1_11 C2_11 1.541(13) . ?
C1_11 C3_11 1.553(13) . ?
C2_11 F2_11 1.324(14) . ?
C2_11 F1_11 1.326(13) . ?
C2_11 F3_11 1.328(14) . ?
C3_11 F5_11 1.329(13) . ?
C3_11 F4_11 1.330(13) . ?
C3_11 F6_11 1.332(13) . ?
C4_11 F9_11 1.334(14) . ?
C4_11 F7_11 1.336(13) . ?
C4_11 F8_11 1.337(14) . ?
O1_12 C1_12 1.351(13) . ?
C1_12 C3_12 1.550(12) . ?
C1_12 C4_12 1.551(12) . ?
C1_12 C2_12 1.553(12) . ?
C2_12 F1_12 1.329(13) . ?
C2_12 F3_12 1.342(13) . ?
C2_12 F2_12 1.345(13) . ?
C3_12 F5_12 1.337(13) . ?
C3_12 F6_12 1.344(13) . ?
C3_12 F4_12 1.346(13) . ?
C4_12 F7_12 1.340(13) . ?
C4_12 F8_12 1.343(13) . ?
C4_12 F9_12 1.344(13) . ?
O1_13 C1_13 1.347(13) . ?
C1_13 C3_13 1.524(12) . ?
C1_13 C4_13 1.559(13) . ?
C1_13 C2_13 1.564(13) . ?
C2_13 F2_13 1.327(13) . ?
C2_13 F1_13 1.327(13) . ?
C2_13 F3_13 1.336(13) . ?
C3_13 F5_13 1.329(13) . ?
C3_13 F6_13 1.329(13) . ?
C3_13 F4_13 1.336(13) . ?
C4_13 F7_13 1.313(13) . ?
C4_13 F9_13 1.330(13) . ?
C4_13 F8_13 1.355(13) . ?
Si1_10 C1D_10 1.936(16) . ?
Si1_10 Al3_10 2.477(12) . ?
Si1_10 Al2_10 2.484(12) . ?
Si1_10 Al1_10 2.489(12) . ?
Al1_10 C4C_10 2.083(14) . ?
Al1_10 C5C_10 2.197(13) . ?
Al1_10 C3C_10 2.203(13) . ?
Al1_10 C1C_10 2.371(13) . ?
Al1_10 C2C_10 2.381(13) . ?
Al1_10 Al2_10 2.729(10) . ?
Al1_10 Al3_10 2.752(10) . ?
Al2_10 C4A_10 2.110(14) . ?
Al2_10 C5A_10 2.143(14) . ?
Al2_10 C3A_10 2.272(14) . ?
Al2_10 C1A_10 2.298(14) . ?
Al2_10 C2A_10 2.389(13) . ?
Al2_10 Al3_10 2.696(10) . ?
Al3_10 C2B_10 2.118(14) . ?
Al3_10 C3B_10 2.154(14) . ?
Al3_10 C1B_10 2.246(14) . ?
Al3_10 C4B_10 2.292(13) . ?
Al3_10 C5B_10 2.336(13) . ?
C1A_10 C5A_10 1.397(14) . ?
C1A_10 C2A_10 1.403(14) . ?
C1A_10 C6A_10 1.504(14) . ?
C2A_10 C3A_10 1.400(14) . ?
C2A_10 C7A_10 1.507(14) . ?
C3A_10 C4A_10 1.387(17) . ?
C3A_10 C8A_10 1.510(14) . ?
C4A_10 C5A_10 1.420(14) . ?
C4A_10 C9A_10 1.524(15) . ?
C5A_10 C10A_10 1.506(14) . ?
C10A_10 H10A_10 0.9800 . ?
C10A_10 H10B_10 0.9800 . ?
C10A_10 H10C_10 0.9800 . ?
C9A_10 H9AA_10 0.9800 . ?
C9A_10 H9AB_10 0.9800 . ?
C9A_10 H9AC_10 0.9800 . ?
C8A_10 H8AA_10 0.9800 . ?
C8A_10 H8AB_10 0.9800 . ?
C8A_10 H8AC_10 0.9800 . ?
C7A_10 H7AA_10 0.9800 . ?
C7A_10 H7AB_10 0.9800 . ?
C7A_10 H7AC_10 0.9800 . ?
C6A_10 H6AA_10 0.9800 . ?
C6A_10 H6AB_10 0.9800 . ?
C6A_10 H6AC_10 0.9800 . ?
C1B_10 C2B_10 1.410(14) . ?
C1B_10 C5B_10 1.412(14) . ?
C1B_10 C6B_10 1.514(14) . ?
C2B_10 C3B_10 1.416(14) . ?
C2B_10 C7B_10 1.523(15) . ?
C3B_10 C4B_10 1.394(17) . ?
C3B_10 C8B_10 1.512(14) . ?
C4B_10 C5B_10 1.409(14) . ?
C4B_10 C9B_10 1.512(14) . ?
C5B_10 C10B_10 1.513(14) . ?
C10B_10 H10D_10 0.9800 . ?
C10B_10 H10E_10 0.9800 . ?
C10B_10 H10F_10 0.9800 . ?
C9B_10 H9BA_10 0.9800 . ?
C9B_10 H9BB_10 0.9800 . ?
C9B_10 H9BC_10 0.9800 . ?
C8B_10 H8BA_10 0.9800 . ?
C8B_10 H8BB_10 0.9800 . ?
C8B_10 H8BC_10 0.9800 . ?
C7B_10 H7BA_10 0.9800 . ?
C7B_10 H7BB_10 0.9800 . ?
C7B_10 H7BC_10 0.9800 . ?
C6B_10 H6BA_10 0.9800 . ?
C6B_10 H6BB_10 0.9800 . ?
C6B_10 H6BC_10 0.9800 . ?
C1C_10 C5C_10 1.389(14) . ?
C1C_10 C2C_10 1.409(14) . ?
C1C_10 C6C_10 1.509(14) . ?
C2C_10 C3C_10 1.391(14) . ?
C2C_10 C7C_10 1.512(14) . ?
C3C_10 C4C_10 1.400(17) . ?
C3C_10 C8C_10 1.508(14) . ?
C4C_10 C5C_10 1.413(14) . ?
C4C_10 C9C_10 1.521(15) . ?
C5C_10 C10C_10 1.515(15) . ?
C10C_10 H10G_10 0.9800 . ?
C10C_10 H10H_10 0.9800 . ?
C10C_10 H10I_10 0.9800 . ?
C9C_10 H9CA_10 0.9800 . ?
C9C_10 H9CB_10 0.9800 . ?
C9C_10 H9CC_10 0.9800 . ?
C8C_10 H8CA_10 0.9800 . ?
C8C_10 H8CB_10 0.9800 . ?
C8C_10 H8CC_10 0.9800 . ?
C7C_10 H7CA_10 0.9800 . ?
C7C_10 H7CB_10 0.9800 . ?
C7C_10 H7CC_10 0.9800 . ?
C6C_10 H6CA_10 0.9800 . ?
C6C_10 H6CB_10 0.9800 . ?
C6C_10 H6CC_10 0.9800 . ?
C5D_10 C4D_10 1.340(16) . ?
C5D_10 C1D_10 1.491(16) . ?
C5D_10 C10D_10 1.502(17) . ?
C6D_10 C1D_10 1.526(19) . ?
C6D_10 H6DA_10 0.9800 . ?
C6D_10 H6DB_10 0.9800 . ?
C6D_10 H6DC_10 0.9800 . ?
C7D_10 C2D_10 1.501(17) . ?
C7D_10 H7DA_10 0.9800 . ?
C7D_10 H7DB_10 0.9800 . ?
C7D_10 H7DC_10 0.9800 . ?
C8D_10 C3D_10 1.522(17) . ?
C8D_10 H8DA_10 0.9800 . ?
C8D_10 H8DB_10 0.9800 . ?
C8D_10 H8DC_10 0.9800 . ?
C9D_10 C4D_10 1.516(17) . ?
C9D_10 H9DA_10 0.9800 . ?
C9D_10 H9DB_10 0.9800 . ?
C9D_10 H9DC_10 0.9800 . ?
C10D_10 H10J_10 0.9800 . ?
C10D_10 H10K_10 0.9800 . ?
C10D_10 H10L_10 0.9800 . ?
C1D_10 C2D_10 1.485(16) . ?
C2D_10 C3D_10 1.345(16) . ?
C3D_10 C4D_10 1.459(19) . ?
O1_63 C1_63 1.359(12) . ?
C1_63 C2_63 1.532(12) . ?
C1_63 C3_63 1.571(12) . ?
C1_63 C4_63 1.590(12) . ?
C2_63 F1_63 1.341(12) . ?
C2_63 F2_63 1.361(12) . ?
C2_63 F3_63 1.381(12) . ?
C3_63 F4_63 1.315(12) . ?
C3_63 F5_63 1.346(12) . ?
C3_63 F6_63 1.359(12) . ?
C4_63 F9_63 1.314(12) . ?
C4_63 F8_63 1.340(12) . ?
C4_63 F7_63 1.384(13) . ?
O1_64 C1_64 1.360(13) . ?
C1_64 C2_64 1.543(12) . ?
C1_64 C3_64 1.550(12) . ?
C1_64 C4_64 1.553(12) . ?
C2_64 F3_64 1.325(13) . ?
C2_64 F2_64 1.327(13) . ?
C2_64 F1_64 1.378(13) . ?
C3_64 F5_64 1.324(13) . ?
C3_64 F6_64 1.331(13) . ?
C3_64 F4_64 1.334(13) . ?
C4_64 F9_64 1.334(13) . ?
C4_64 F8_64 1.337(13) . ?
C4_64 F7_64 1.345(13) . ?
O1_65 C1_65 1.362(12) . ?
C1_65 C4_65 1.548(11) . ?
C1_65 C3_65 1.549(11) . ?
C1_65 C2_65 1.551(11) . ?
C2_65 F1_65 1.335(12) . ?
C2_65 F2_65 1.336(12) . ?
C2_65 F3_65 1.337(12) . ?
C3_65 F5_65 1.317(12) . ?
C3_65 F4_65 1.335(12) . ?
C3_65 F6_65 1.342(12) . ?
C4_65 F9_65 1.326(12) . ?
C4_65 F8_65 1.330(12) . ?
C4_65 F7_65 1.331(12) . ?
O1_66 C1_66 1.360(12) . ?
C1_66 C4_66 1.532(12) . ?
C1_66 C3_66 1.537(12) . ?
C1_66 C2_66 1.549(12) . ?
C2_66 F2_66 1.326(12) . ?
C2_66 F3_66 1.331(12) . ?
C2_66 F1_66 1.342(12) . ?
C3_66 F5_66 1.298(12) . ?
C3_66 F6_66 1.322(12) . ?
C3_66 F4_66 1.329(13) . ?
C4_66 F7_66 1.302(13) . ?
C4_66 F8_66 1.318(12) . ?
C4_66 F9_66 1.331(12) . ?
O1_67 C1_67 1.344(13) . ?
C1_67 C3_67 1.537(12) . ?
C1_67 C4_67 1.555(12) . ?
C1_67 C2_67 1.561(12) . ?
C2_67 F3_67 1.321(13) . ?
C2_67 F2_67 1.361(12) . ?
C2_67 F1_67 1.381(12) . ?
C3_67 F4_67 1.346(13) . ?
C3_67 F6_67 1.381(12) . ?
C3_67 F5_67 1.385(12) . ?
C4_67 F7_67 1.338(12) . ?
C4_67 F8_67 1.343(12) . ?
C4_67 F9_67 1.358(13) . ?
