#------------------------------------------------------------------------------
#$Date: 2017-11-17 10:14:18 +0200 (Fri, 17 Nov 2017) $
#$Revision: 203255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/80/1548072.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_1548072
loop_
_publ_author_name
'Martin R. Lichtenthaler'
'Florian Stahl'
'Daniel Kratzert'
'Lorenz Heidinger'
'Erik Schleicher'
'Julian Hamann'
'Daniel Himmel'
'Stefan Weber'
'Ingo Krossing'
_publ_section_title
;
 Cationic cluster formation versus disproportionation of low-valent indium
 and gallium complexes of 2,2'-bipyridine
;
_journal_name_full               'Nature Communications'
_journal_page_first              8288
_journal_paper_doi               10.1038/ncomms9288
_journal_volume                  6
_journal_year                    2015
_chemical_formula_moiety         '4(C16 Al F36 O4), C60 H48 In4 N12'
_chemical_formula_sum            'C124 H48 Al4 F144 In4 N12 O16'
_chemical_formula_weight         5264.94
_chemical_name_systematic        '[In4(BIPY)6][Al(OC(CF3)3)4]4'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                106.127(4)
_cell_angle_beta                 101.609(4)
_cell_angle_gamma                118.938(3)
_cell_formula_units_Z            8
_cell_length_a                   34.744(5)
_cell_length_b                   34.792(5)
_cell_length_c                   37.210(5)
_cell_measurement_reflns_used    9480
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      47.395
_cell_measurement_theta_min      4.549
_cell_volume                     34671(9)
_computing_cell_refinement       'SAINT V8.34A'
_computing_data_collection       'APEX2 v2014.7-1'
_computing_data_reduction        'SAINT V8.34A'
_computing_molecular_graphics    'Diamond 3.2i'
_computing_publication_material  ShelXle-673
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker SMART APEX2 QUAZAR'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0961
_diffrn_reflns_av_unetI/netI     0.1155
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            566584
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        24.504
_diffrn_reflns_theta_max         24.504
_diffrn_reflns_theta_min         0.944
_diffrn_source                   'INCOATEC Mo Microsource'
_exptl_absorpt_coefficient_mu    0.763
_exptl_absorpt_correction_T_max  0.7451
_exptl_absorpt_correction_T_min  0.5947
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2012/1
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.017
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             20384
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         2.638
_refine_diff_density_min         -1.812
_refine_diff_density_rms         0.163
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     11257
_refine_ls_number_reflns         111628
_refine_ls_number_restraints     927436
_refine_ls_restrained_S_all      0.941
_refine_ls_R_factor_all          0.1550
_refine_ls_R_factor_gt           0.0740
_refine_ls_shift/su_max          0.049
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1000P)²+100.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1691
_refine_ls_wR_factor_ref         0.2157
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                65361
_reflns_number_total             111628
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ncomms9288-s5.cif
_cod_data_source_block           p-1_neu
_cod_original_cell_volume        34671(8)
_cod_database_code               1548072
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.862
_shelx_estimated_absorpt_t_max   0.928
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
Al1 Al 0.07407(13) -0.07326(13) 0.43961(11) 0.0220(9) Uani 1 1 d D U . . .
O1_1 O 0.1216(4) -0.0142(3) 0.4629(3) 0.064(3) Uani 1 1 d D U . . .
C1_1 C 0.1566(4) 0.0300(4) 0.4939(3) 0.041(3) Uani 1 1 d D U . . .
C2_1 C 0.1514(4) 0.0303(4) 0.5341(3) 0.048(3) Uani 1 1 d D U . . .
F1_1 F 0.1053(3) 0.0071(3) 0.5299(3) 0.064(3) Uani 1 1 d D U . . .
F2_1 F 0.1755(4) 0.0754(3) 0.5636(3) 0.086(3) Uani 1 1 d D U . . .
F3_1 F 0.1676(3) 0.0071(3) 0.5481(3) 0.054(2) Uani 1 1 d D U . . .
C3_1 C 0.2054(4) 0.0394(5) 0.4959(4) 0.063(3) Uani 1 1 d D U . . .
F4_1 F 0.2149(4) 0.0497(4) 0.4652(3) 0.080(3) Uani 1 1 d D U . . .
F5_1 F 0.2050(5) -0.0002(4) 0.4918(4) 0.098(4) Uani 1 1 d D U . . .
F6_1 F 0.2406(3) 0.0759(4) 0.5313(3) 0.082(3) Uani 1 1 d D U . . .
C4_1 C 0.1509(4) 0.0682(4) 0.4850(4) 0.062(4) Uani 1 1 d D U . . .
F7_1 F 0.1441(4) 0.0613(4) 0.4467(3) 0.086(3) Uani 1 1 d D U . . .
F8_1 F 0.1911(4) 0.1124(3) 0.5079(3) 0.092(4) Uani 1 1 d D U . . .
F9_1 F 0.1150(4) 0.0676(4) 0.4934(4) 0.107(4) Uani 1 1 d D U . . .
O1A O 0.0239(6) -0.0741(8) 0.4383(5) 0.046(3) Uani 0.5 1 d D U P A 2
O1_2 O 0.0191(5) -0.0870(8) 0.4151(6) 0.053(3) Uani 0.5 1 d D U P A 1
C1_2 C -0.0173(4) -0.0810(4) 0.4132(4) 0.047(3) Uani 1 1 d D U . . .
C2_2 C -0.0515(5) -0.1280(5) 0.3734(4) 0.067(4) Uani 1 1 d D U . . .
F1_2 F -0.0362(4) -0.1243(4) 0.3437(3) 0.098(4) Uani 1 1 d D U . . .
F2_2 F -0.0958(4) -0.1394(4) 0.3617(3) 0.093(3) Uani 1 1 d D U . . .
F3_2 F -0.0544(5) -0.1658(4) 0.3777(4) 0.109(4) Uani 1 1 d D U . . .
C3_2 C -0.0406(5) -0.0823(5) 0.4439(4) 0.072(4) Uani 1 1 d D U . . .
F4_2 F -0.0104(5) -0.0488(5) 0.4811(4) 0.149(5) Uani 1 1 d D U . . .
F5_2 F -0.0624(4) -0.1247(4) 0.4453(3) 0.094(4) Uani 1 1 d D U . . .
F6_2 F -0.0724(4) -0.0710(4) 0.4348(4) 0.102(4) Uani 1 1 d D U . . .
C4_2 C -0.0038(5) -0.0371(5) 0.4046(4) 0.071(4) Uani 1 1 d D U . . .
F7_2 F 0.0148(4) 0.0017(4) 0.4383(4) 0.113(4) Uani 1 1 d D U . . .
F8_2 F -0.0401(4) -0.0419(5) 0.3790(4) 0.107(4) Uani 1 1 d D U . . .
F9_2 F 0.0281(4) -0.0283(4) 0.3875(4) 0.105(4) Uani 1 1 d D U . . .
O1_3 O 0.0776(4) -0.0988(3) 0.4723(3) 0.049(3) Uani 1 1 d D U . . .
C1_3 C 0.0666(4) -0.1354(4) 0.4823(3) 0.036(3) Uani 1 1 d D U . . .
C2_3 C 0.1110(4) -0.1188(4) 0.5184(3) 0.057(3) Uani 1 1 d D U . . .
F1_3 F 0.1512(3) -0.0969(4) 0.5117(3) 0.093(4) Uani 1 1 d D U . . .
F2_3 F 0.1082(4) -0.1558(3) 0.5254(3) 0.088(3) Uani 1 1 d D U . . .
F3_3 F 0.1173(4) -0.0872(3) 0.5525(3) 0.077(3) Uani 1 1 d D U . . .
C3_3 C 0.0242(4) -0.1491(4) 0.4958(4) 0.055(3) Uani 1 1 d D U . . .
F4_3 F -0.0179(3) -0.1759(4) 0.4634(3) 0.072(3) Uani 1 1 d D U . . .
F5_3 F 0.0288(4) -0.1094(4) 0.5193(3) 0.084(3) Uani 1 1 d D U . . .
F6_3 F 0.0201(3) -0.1759(4) 0.5168(3) 0.072(3) Uani 1 1 d D U . . .
C4_3 C 0.0532(4) -0.1806(4) 0.4459(3) 0.043(3) Uani 1 1 d D U . . .
F7_3 F 0.0210(3) -0.1907(3) 0.4116(2) 0.048(2) Uani 1 1 d D U . . .
F8_3 F 0.0347(3) -0.2203(3) 0.4528(3) 0.062(3) Uani 1 1 d D U . . .
F9_3 F 0.0920(3) -0.1733(3) 0.4392(3) 0.069(3) Uani 1 1 d D U . . .
O1_4 O 0.0746(4) -0.1032(4) 0.3950(3) 0.063(3) Uani 1 1 d D U . . .
C1_4 C 0.0888(4) -0.1086(4) 0.3642(3) 0.036(3) Uani 1 1 d D U . . .
C2_4 C 0.1409(4) -0.0940(4) 0.3784(4) 0.064(3) Uani 1 1 d D U . . .
F1_4 F 0.1725(3) -0.0457(3) 0.3957(3) 0.064(3) Uani 1 1 d D U . . .
F2_4 F 0.1508(3) -0.1116(4) 0.3471(3) 0.087(3) Uani 1 1 d D U . . .
F3_4 F 0.1486(4) -0.1111(4) 0.4050(4) 0.113(4) Uani 1 1 d D U . . .
C3_4 C 0.0541(4) -0.1620(4) 0.3323(3) 0.052(3) Uani 1 1 d D U . . .
F4_4 F 0.0092(3) -0.1790(3) 0.3282(3) 0.060(2) Uani 1 1 d D U . . .
F5_4 F 0.0639(4) -0.1904(3) 0.3453(3) 0.070(3) Uani 1 1 d D U . . .
F6_4 F 0.0560(3) -0.1693(3) 0.2960(3) 0.069(3) Uani 1 1 d D U . . .
C4_4 C 0.0870(4) -0.0751(4) 0.3442(3) 0.044(3) Uani 1 1 d D U . . .
F7_4 F 0.0410(3) -0.0960(4) 0.3201(3) 0.074(3) Uani 1 1 d D U . . .
F8_4 F 0.1126(3) -0.0676(3) 0.3213(2) 0.048(2) Uani 1 1 d D U . . .
F9_4 F 0.1032(3) -0.0320(3) 0.3726(3) 0.048(2) Uani 1 1 d D U . . .
Al2 Al 0.33450(13) 0.29209(14) 0.63595(12) 0.0290(10) Uani 1 1 d D U . . .
O1_5 O 0.2741(5) 0.2690(8) 0.6181(7) 0.044(3) Uani 0.629(6) 1 d D U P B 1
C1_5 C 0.2362(4) 0.2680(6) 0.6228(5) 0.048(2) Uani 0.629(6) 1 d D U P B 1
C2_5 C 0.2417(5) 0.3156(6) 0.6241(5) 0.062(4) Uani 0.629(6) 1 d D U P B 1
F1_5 F 0.2599(5) 0.3274(6) 0.5968(4) 0.070(3) Uani 0.629(6) 1 d D U P B 1
F2_5 F 0.2007(5) 0.3121(6) 0.6161(5) 0.073(4) Uani 0.629(6) 1 d D U P B 1
F3_5 F 0.2727(5) 0.3542(5) 0.6610(4) 0.069(4) Uani 0.629(6) 1 d D U P B 1
C3_5 C 0.2324(6) 0.2655(6) 0.6630(4) 0.053(3) Uani 0.629(6) 1 d D U P B 1
F4_5 F 0.2140(5) 0.2204(5) 0.6596(5) 0.058(3) Uani 0.629(6) 1 d D U P B 1
F5_5 F 0.2781(5) 0.2972(7) 0.6919(5) 0.056(5) Uani 0.629(6) 1 d D U P B 1
F6_5 F 0.2067(6) 0.2801(7) 0.6776(6) 0.060(4) Uani 0.629(6) 1 d D U P B 1
C4_5 C 0.1889(5) 0.2256(6) 0.5861(4) 0.066(3) Uani 0.629(6) 1 d D U P B 1
F7_5 F 0.1881(6) 0.1855(6) 0.5768(5) 0.089(5) Uani 0.629(6) 1 d D U P B 1
F8_5 F 0.1500(5) 0.2177(7) 0.5938(5) 0.083(4) Uani 0.629(6) 1 d D U P B 1
F9_5 F 0.1861(7) 0.2353(7) 0.5534(5) 0.078(4) Uani 0.629(6) 1 d D U P B 1
O1_23 O 0.2774(7) 0.2773(12) 0.6202(11) 0.044(3) Uani 0.371(6) 1 d D U P B 2
C1_23 C 0.2341(5) 0.2591(7) 0.6217(6) 0.048(2) Uani 0.371(6) 1 d D U P B 2
C2_23 C 0.2011(7) 0.2573(8) 0.5855(6) 0.066(3) Uani 0.371(6) 1 d D U P B 2
F1_23 F 0.2258(9) 0.2963(9) 0.5788(8) 0.070(3) Uani 0.371(6) 1 d D U P B 2
F2_23 F 0.1641(8) 0.2562(11) 0.5921(8) 0.083(4) Uani 0.371(6) 1 d D U P B 2
F3_23 F 0.1855(12) 0.2158(9) 0.5535(8) 0.078(4) Uani 0.371(6) 1 d D U P B 2
C3_23 C 0.2115(7) 0.2068(7) 0.6178(7) 0.059(5) Uani 0.371(6) 1 d D U P B 2
F4_23 F 0.2275(8) 0.2086(9) 0.6543(6) 0.058(3) Uani 0.371(6) 1 d D U P B 2
F5_23 F 0.2228(8) 0.1816(8) 0.5932(7) 0.062(6) Uani 0.371(6) 1 d D U P B 2
F6_23 F 0.1642(6) 0.1836(9) 0.6056(8) 0.078(7) Uani 0.371(6) 1 d D U P B 2
C4_23 C 0.2372(8) 0.2911(8) 0.6618(6) 0.053(3) Uani 0.371(6) 1 d D U P B 2
F7_23 F 0.2704(11) 0.3034(13) 0.6964(9) 0.079(9) Uani 0.371(6) 1 d D U P B 2
F8_23 F 0.1948(9) 0.2677(11) 0.6658(10) 0.060(4) Uani 0.371(6) 1 d D U P B 2
F9_23 F 0.2444(10) 0.3319(9) 0.6591(8) 0.069(4) Uani 0.371(6) 1 d D U P B 2
O1_49 O 0.3476(5) 0.2687(5) 0.6664(4) 0.089(4) Uani 1 1 d D U . C 1
C1_49 C 0.3579(4) 0.2459(4) 0.6848(4) 0.053(3) Uani 1 1 d D U . C 1
C2_49 C 0.3308(6) 0.1912(5) 0.6578(5) 0.154(6) Uani 1 1 d D U . C 1
F1_49 F 0.2855(5) 0.1735(6) 0.6389(5) 0.216(7) Uani 1 1 d D U . C 1
F2_49 F 0.3302(6) 0.1687(5) 0.6820(6) 0.194(6) Uani 1 1 d D U . C 1
F3_49 F 0.3517(6) 0.1844(5) 0.6328(6) 0.225(8) Uani 1 1 d D U . C 1
C3_49 C 0.4117(4) 0.2675(5) 0.6980(4) 0.078(4) Uani 1 1 d D U . C 1
F4_49 F 0.4365(4) 0.3107(5) 0.7300(4) 0.158(6) Uani 1 1 d D U . C 1
F5_49 F 0.4261(4) 0.2748(4) 0.6686(3) 0.081(3) Uani 1 1 d D U . C 1
F6_49 F 0.4237(5) 0.2407(6) 0.7092(5) 0.158(5) Uani 1 1 d D U . C 1
C4_49 C 0.3460(4) 0.2538(5) 0.7229(4) 0.060(4) Uani 1 1 d D U . C 1
F7_49 F 0.3592(4) 0.2988(4) 0.7418(4) 0.102(4) Uani 1 1 d D U . C 1
F8_49 F 0.3634(5) 0.2394(7) 0.7470(5) 0.157(6) Uani 1 1 d D U . C 1
F9_49 F 0.2991(3) 0.2276(3) 0.7135(3) 0.066(3) Uani 1 1 d D U . C 1
O1_7 O 0.3639(6) 0.3570(5) 0.6568(6) 0.047(4) Uani 0.481(6) 1 d D U P B 1
C1_7 C 0.4037(6) 0.4001(4) 0.6814(5) 0.054(3) Uani 0.481(6) 1 d D U P B 1
C2_7 C 0.4429(6) 0.4081(7) 0.6643(6) 0.066(3) Uani 0.481(6) 1 d D U P B 1
F1_7 F 0.4581(12) 0.3798(9) 0.6656(8) 0.074(4) Uani 0.481(6) 1 d D U P B 1
F2_7 F 0.4791(6) 0.4546(6) 0.6836(6) 0.074(4) Uani 0.481(6) 1 d D U P B 1
F3_7 F 0.4254(8) 0.4004(8) 0.6249(6) 0.088(4) Uani 0.481(6) 1 d D U P B 1
C3_7 C 0.3967(6) 0.4408(6) 0.6803(6) 0.080(4) Uani 0.481(6) 1 d D U P B 1
F4_7 F 0.3621(8) 0.4292(9) 0.6956(8) 0.098(4) Uani 0.481(6) 1 d D U P B 1
F5_7 F 0.3726(8) 0.4297(8) 0.6428(6) 0.087(4) Uani 0.481(6) 1 d D U P B 1
F6_7 F 0.4411(6) 0.4825(5) 0.6953(5) 0.058(5) Uani 0.481(6) 1 d D U P B 1
C4_7 C 0.4214(7) 0.4142(7) 0.7276(5) 0.075(4) Uani 0.481(6) 1 d D U P B 1
F7_7 F 0.3831(8) 0.3815(7) 0.7329(7) 0.081(5) Uani 0.481(6) 1 d D U P B 1
F8_7 F 0.4358(8) 0.4571(7) 0.7577(7) 0.097(5) Uani 0.481(6) 1 d D U P B 1
F9_7 F 0.4633(8) 0.4191(10) 0.7386(7) 0.095(6) Uani 0.481(6) 1 d D U P B 1
O1_8 O 0.3490(9) 0.2753(9) 0.5955(5) 0.045(3) Uani 0.571(6) 1 d D U P B 1
C1_8 C 0.3430(6) 0.2641(5) 0.5563(4) 0.045(2) Uani 0.571(6) 1 d D U P B 1
C2_8 C 0.3808(6) 0.2555(6) 0.5490(6) 0.057(3) Uani 0.571(6) 1 d D U P B 1
F1_8 F 0.3693(6) 0.2120(5) 0.5475(5) 0.069(3) Uani 0.571(6) 1 d D U P B 1
F2_8 F 0.3864(10) 0.2544(8) 0.5139(6) 0.073(4) Uani 0.571(6) 1 d D U P B 1
F3_8 F 0.4234(7) 0.2920(8) 0.5798(6) 0.061(4) Uani 0.571(6) 1 d D U P B 1
C3_8 C 0.3483(5) 0.3065(5) 0.5466(5) 0.050(4) Uani 0.571(6) 1 d D U P B 1
F4_8 F 0.3244(5) 0.3229(6) 0.5618(5) 0.053(4) Uani 0.571(6) 1 d D U P B 1
F5_8 F 0.3945(5) 0.3446(5) 0.5632(5) 0.062(3) Uani 0.571(6) 1 d D U P B 1
F6_8 F 0.3305(6) 0.2940(6) 0.5066(4) 0.070(5) Uani 0.571(6) 1 d D U P B 1
C4_8 C 0.2921(5) 0.2173(6) 0.5290(5) 0.058(3) Uani 0.571(6) 1 d D U P B 1
F7_8 F 0.2582(7) 0.2263(8) 0.5263(8) 0.065(3) Uani 0.571(6) 1 d D U P B 1
F8_8 F 0.2849(6) 0.1963(6) 0.4903(4) 0.069(4) Uani 0.571(6) 1 d D U P B 1
F9_8 F 0.2824(6) 0.1843(6) 0.5444(5) 0.067(4) Uani 0.571(6) 1 d D U P B 1
O1_22 O 0.3513(11) 0.2816(11) 0.5952(6) 0.045(3) Uani 0.429(6) 1 d D U P B 2
C1_22 C 0.3418(7) 0.2537(6) 0.5573(5) 0.045(2) Uani 0.429(6) 1 d D U P B 2
C2_22 C 0.3845(7) 0.2777(7) 0.5452(7) 0.057(3) Uani 0.429(6) 1 d D U P B 2
F1_22 F 0.3931(7) 0.3184(7) 0.5421(7) 0.062(3) Uani 0.429(6) 1 d D U P B 2
F2_22 F 0.3754(14) 0.2466(10) 0.5081(8) 0.073(4) Uani 0.429(6) 1 d D U P B 2
F3_22 F 0.4260(9) 0.2899(11) 0.5706(9) 0.061(4) Uani 0.429(6) 1 d D U P B 2
C3_22 C 0.3302(7) 0.2033(6) 0.5535(6) 0.059(5) Uani 0.429(6) 1 d D U P B 2
F4_22 F 0.2984(7) 0.1855(8) 0.5699(6) 0.067(4) Uani 0.429(6) 1 d D U P B 2
F5_22 F 0.3695(6) 0.2069(8) 0.5745(6) 0.069(3) Uani 0.429(6) 1 d D U P B 2
F6_22 F 0.3087(8) 0.1699(6) 0.5145(5) 0.069(6) Uani 0.429(6) 1 d D U P B 2
C4_22 C 0.2984(7) 0.2462(7) 0.5268(6) 0.058(3) Uani 0.429(6) 1 d D U P B 2
F7_22 F 0.2576(9) 0.2146(10) 0.5288(10) 0.065(3) Uani 0.429(6) 1 d D U P B 2
F8_22 F 0.2929(8) 0.2261(8) 0.4881(6) 0.069(4) Uani 0.429(6) 1 d D U P B 2
F9_22 F 0.3039(8) 0.2892(7) 0.5342(7) 0.068(6) Uani 0.429(6) 1 d D U P B 2
O1_9 O 0.3726(6) 0.3495(5) 0.6710(5) 0.047(4) Uani 0.519(6) 1 d D U P B 2
C1_9 C 0.4049(6) 0.3988(5) 0.6848(5) 0.054(3) Uani 0.519(6) 1 d D U P B 2
C2_9 C 0.4006(7) 0.4244(6) 0.7232(5) 0.075(4) Uani 0.519(6) 1 d D U P B 2
F1_9 F 0.3642(7) 0.4292(9) 0.7187(8) 0.098(4) Uani 0.519(6) 1 d D U P B 2
F2_9 F 0.4434(7) 0.4678(7) 0.7387(7) 0.097(5) Uani 0.519(6) 1 d D U P B 2
F3_9 F 0.3942(9) 0.4019(7) 0.7469(6) 0.081(5) Uani 0.519(6) 1 d D U P B 2
C3_9 C 0.4516(5) 0.4010(6) 0.6950(6) 0.066(3) Uani 0.519(6) 1 d D U P B 2
F4_9 F 0.4465(11) 0.3689(8) 0.6605(6) 0.074(4) Uani 0.519(6) 1 d D U P B 2
F5_9 F 0.4519(6) 0.3808(6) 0.7210(6) 0.071(5) Uani 0.519(6) 1 d D U P B 2
F6_9 F 0.4918(6) 0.4435(5) 0.7088(6) 0.074(4) Uani 0.519(6) 1 d D U P B 2
C4_9 C 0.3960(7) 0.4158(7) 0.6524(6) 0.080(4) Uani 0.519(6) 1 d D U P B 2
F7_9 F 0.4308(7) 0.4304(7) 0.6380(6) 0.088(4) Uani 0.519(6) 1 d D U P B 2
F8_9 F 0.3969(8) 0.4555(6) 0.6619(7) 0.087(4) Uani 0.519(6) 1 d D U P B 2
F9_9 F 0.3481(7) 0.3839(7) 0.6271(7) 0.115(7) Uani 0.519(6) 1 d D U P B 2
Al3 Al 0.15786(14) -0.30285(15) 0.37064(12) 0.0307(10) Uani 1 1 d D U . . .
O1_10 O 0.1662(7) -0.3408(6) 0.3886(6) 0.031(3) Uani 0.510(5) 1 d D U P D 1
C1_10 C 0.1484(6) -0.3853(6) 0.3883(5) 0.044(2) Uani 0.510(5) 1 d D U P D 1
C2_10 C 0.1439(6) -0.4191(5) 0.3480(5) 0.054(3) Uani 0.510(5) 1 d D U P D 1
F1_10 F 0.1893(6) -0.4049(7) 0.3495(6) 0.063(4) Uani 0.510(5) 1 d D U P D 1
F2_10 F 0.1209(6) -0.4679(5) 0.3361(5) 0.055(4) Uani 0.510(5) 1 d D U P D 1
F3_10 F 0.1261(6) -0.4143(5) 0.3150(4) 0.059(3) Uani 0.510(5) 1 d D U P D 1
C3_10 C 0.1078(6) -0.3924(6) 0.4035(5) 0.056(3) Uani 0.510(5) 1 d D U P D 1
F4_10 F 0.1024(6) -0.3544(5) 0.4158(6) 0.061(3) Uani 0.510(5) 1 d D U P D 1
F5_10 F 0.0650(6) -0.4280(6) 0.3739(5) 0.059(3) Uani 0.510(5) 1 d D U P D 1
F6_10 F 0.1099(6) -0.4013(6) 0.4369(5) 0.056(4) Uani 0.510(5) 1 d D U P D 1
C4_10 C 0.1858(6) -0.3827(6) 0.4221(5) 0.054(3) Uani 0.510(5) 1 d D U P D 1
F7_10 F 0.1804(7) -0.3680(7) 0.4571(5) 0.063(4) Uani 0.510(5) 1 d D U P D 1
F8_10 F 0.1835(7) -0.4238(5) 0.4156(5) 0.067(5) Uani 0.510(5) 1 d D U P D 1
F9_10 F 0.2306(6) -0.3485(6) 0.4295(6) 0.062(3) Uani 0.510(5) 1 d D U P D 1
O1_25 O 0.1519(7) -0.3522(6) 0.3759(6) 0.031(3) Uani 0.490(5) 1 d D U P D 2
C1_25 C 0.1512(6) -0.3796(5) 0.3947(5) 0.044(2) Uani 0.490(5) 1 d D U P D 2
C2_25 C 0.1937(6) -0.3458(6) 0.4367(5) 0.054(3) Uani 0.490(5) 1 d D U P D 2
F1_25 F 0.2356(6) -0.3176(6) 0.4329(6) 0.062(3) Uani 0.490(5) 1 d D U P D 2
F2_25 F 0.2043(8) -0.3697(7) 0.4552(6) 0.063(4) Uani 0.490(5) 1 d D U P D 2
F3_25 F 0.1938(6) -0.3116(5) 0.4656(5) 0.051(4) Uani 0.490(5) 1 d D U P D 2
C3_25 C 0.0988(6) -0.4156(6) 0.3895(6) 0.056(3) Uani 0.490(5) 1 d D U P D 2
F4_25 F 0.0666(6) -0.4358(7) 0.3515(5) 0.059(3) Uani 0.490(5) 1 d D U P D 2
F5_25 F 0.0913(7) -0.3880(6) 0.4145(6) 0.061(3) Uani 0.490(5) 1 d D U P D 2
F6_25 F 0.0906(6) -0.4527(6) 0.3991(6) 0.065(4) Uani 0.490(5) 1 d D U P D 2
C4_25 C 0.1531(6) -0.4218(6) 0.3698(5) 0.054(3) Uani 0.490(5) 1 d D U P D 2
F7_25 F 0.1192(6) -0.4426(6) 0.3321(5) 0.059(3) Uani 0.490(5) 1 d D U P D 2
F8_25 F 0.1370(6) -0.4533(6) 0.3864(5) 0.059(4) Uani 0.490(5) 1 d D U P D 2
F9_25 F 0.1959(6) -0.4067(7) 0.3717(6) 0.063(4) Uani 0.490(5) 1 d D U P D 2
O1_11 O 0.1911(7) -0.2459(6) 0.4093(4) 0.029(3) Uani 0.521(5) 1 d D U P D 1
C1_11 C 0.1996(5) -0.2168(5) 0.4475(4) 0.034(2) Uani 0.521(5) 1 d D U P D 1
C2_11 C 0.2333(5) -0.2200(5) 0.4780(4) 0.036(4) Uani 0.521(5) 1 d D U P D 1
F1_11 F 0.2108(5) -0.2614(4) 0.4822(4) 0.039(4) Uani 0.521(5) 1 d D U P D 1
F2_11 F 0.2528(5) -0.1830(5) 0.5146(4) 0.045(4) Uani 0.521(5) 1 d D U P D 1
F3_11 F 0.2682(5) -0.2183(6) 0.4664(5) 0.040(3) Uani 0.521(5) 1 d D U P D 1
C3_11 C 0.2213(5) -0.1658(5) 0.4498(5) 0.041(3) Uani 0.521(5) 1 d D U P D 1
F4_11 F 0.1979(5) -0.1668(5) 0.4160(4) 0.039(4) Uani 0.521(5) 1 d D U P D 1
F5_11 F 0.2668(5) -0.1449(6) 0.4530(5) 0.044(3) Uani 0.521(5) 1 d D U P D 1
F6_11 F 0.2191(6) -0.1378(5) 0.4811(4) 0.055(4) Uani 0.521(5) 1 d D U P D 1
C4_11 C 0.1517(5) -0.2358(6) 0.4527(5) 0.043(3) Uani 0.521(5) 1 d D U P D 1
F7_11 F 0.1255(6) -0.2245(6) 0.4323(4) 0.051(4) Uani 0.521(5) 1 d D U P D 1
F8_11 F 0.1588(6) -0.2167(6) 0.4919(4) 0.052(4) Uani 0.521(5) 1 d D U P D 1
F9_11 F 0.1248(5) -0.2846(5) 0.4389(5) 0.046(3) Uani 0.521(5) 1 d D U P D 1
O1_24 O 0.1957(8) -0.2487(6) 0.4183(5) 0.029(3) Uani 0.479(5) 1 d D U P D 2
C1_24 C 0.2062(5) -0.2071(5) 0.4435(4) 0.034(2) Uani 0.479(5) 1 d D U P D 2
C2_24 C 0.1783(6) -0.2150(6) 0.4718(5) 0.043(3) Uani 0.479(5) 1 d D U P D 2
F1_24 F 0.1332(5) -0.2546(6) 0.4494(5) 0.046(3) Uani 0.479(5) 1 d D U P D 2
F2_24 F 0.1759(6) -0.1774(6) 0.4909(5) 0.053(4) Uani 0.479(5) 1 d D U P D 2
F3_24 F 0.1984(6) -0.2235(6) 0.5010(5) 0.049(4) Uani 0.479(5) 1 d D U P D 2
C3_24 C 0.2605(5) -0.1716(5) 0.4721(5) 0.037(4) Uani 0.479(5) 1 d D U P D 2
F4_24 F 0.2875(6) -0.1503(6) 0.4530(5) 0.044(3) Uani 0.479(5) 1 d D U P D 2
F5_24 F 0.2785(6) -0.1944(6) 0.4841(5) 0.040(3) Uani 0.479(5) 1 d D U P D 2
F6_24 F 0.2704(6) -0.1349(6) 0.5058(5) 0.050(4) Uani 0.479(5) 1 d D U P D 2
C4_24 C 0.1934(6) -0.1797(6) 0.4223(5) 0.041(3) Uani 0.479(5) 1 d D U P D 2
F7_24 F 0.2055(5) -0.1820(6) 0.3902(5) 0.040(4) Uani 0.479(5) 1 d D U P D 2
F8_24 F 0.2158(6) -0.1317(5) 0.4461(5) 0.046(4) Uani 0.479(5) 1 d D U P D 2
F9_24 F 0.1458(5) -0.1999(5) 0.4079(5) 0.039(4) Uani 0.479(5) 1 d D U P D 2
O1_42 O 0.1853(8) -0.2866(8) 0.3372(7) 0.030(3) Uani 0.431(7) 1 d D U P D 2
C1_42 C 0.2168(6) -0.2840(6) 0.3209(5) 0.032(2) Uani 0.431(7) 1 d D U P D 2
C2_42 C 0.2612(6) -0.2305(6) 0.3368(6) 0.047(3) Uani 0.431(7) 1 d D U P D 2
F1_42 F 0.2457(7) -0.2020(7) 0.3339(6) 0.053(3) Uani 0.431(7) 1 d D U P D 2
F2_42 F 0.2916(7) -0.2226(8) 0.3183(6) 0.067(6) Uani 0.431(7) 1 d D U P D 2
F3_42 F 0.2869(7) -0.2139(9) 0.3759(5) 0.052(4) Uani 0.431(7) 1 d D U P D 2
C3_42 C 0.2341(7) -0.3156(7) 0.3280(6) 0.042(3) Uani 0.431(7) 1 d D U P D 2
F4_42 F 0.1992(6) -0.3639(6) 0.3079(6) 0.049(3) Uani 0.431(7) 1 d D U P D 2
F5_42 F 0.2488(12) -0.3058(11) 0.3677(6) 0.047(4) Uani 0.431(7) 1 d D U P D 2
F6_42 F 0.2712(6) -0.3081(8) 0.3180(6) 0.052(3) Uani 0.431(7) 1 d D U P D 2
C4_42 C 0.1933(7) -0.3016(7) 0.2741(5) 0.030(2) Uani 0.431(7) 1 d D U P D 2
F7_42 F 0.1610(7) -0.3500(6) 0.2542(8) 0.029(3) Uani 0.431(7) 1 d D U P D 2
F8_42 F 0.2283(7) -0.2899(8) 0.2598(8) 0.036(3) Uani 0.431(7) 1 d D U P D 2
F9_42 F 0.1706(9) -0.2819(9) 0.2632(10) 0.029(3) Uani 0.431(7) 1 d D U P D 2
O1_12 O 0.1759(6) -0.3038(6) 0.3303(5) 0.030(3) Uani 0.569(7) 1 d D U P D 1
C1_12 C 0.2144(6) -0.2826(6) 0.3199(4) 0.032(2) Uani 0.569(7) 1 d D U P D 1
C2_12 C 0.2487(5) -0.2964(6) 0.3330(5) 0.042(3) Uani 0.569(7) 1 d D U P D 1
F1_12 F 0.2574(9) -0.2913(8) 0.3715(5) 0.047(4) Uani 0.569(7) 1 d D U P D 1
F2_12 F 0.2903(5) -0.2682(6) 0.3311(5) 0.052(3) Uani 0.569(7) 1 d D U P D 1
F3_12 F 0.2300(6) -0.3430(5) 0.3081(4) 0.049(3) Uani 0.569(7) 1 d D U P D 1
C3_12 C 0.1923(6) -0.3030(6) 0.2730(4) 0.030(2) Uani 0.569(7) 1 d D U P D 1
F4_12 F 0.1842(6) -0.2731(7) 0.2625(7) 0.029(3) Uani 0.569(7) 1 d D U P D 1
F5_12 F 0.1495(5) -0.3459(5) 0.2582(6) 0.029(3) Uani 0.569(7) 1 d D U P D 1
F6_12 F 0.2178(6) -0.3104(6) 0.2529(6) 0.036(3) Uani 0.569(7) 1 d D U P D 1
C4_12 C 0.2404(5) -0.2265(5) 0.3409(5) 0.047(3) Uani 0.569(7) 1 d D U P D 1
F7_12 F 0.2084(5) -0.2155(5) 0.3390(4) 0.046(3) Uani 0.569(7) 1 d D U P D 1
F8_12 F 0.2676(5) -0.2050(5) 0.3221(4) 0.053(3) Uani 0.569(7) 1 d D U P D 1
F9_12 F 0.2700(5) -0.2065(6) 0.3799(4) 0.052(4) Uani 0.569(7) 1 d D U P D 1
O1_13 O 0.0999(3) -0.3187(5) 0.3524(3) 0.079(3) Uani 1 1 d D U . . .
C1_13 C 0.0599(4) -0.3329(4) 0.3234(4) 0.048(3) Uani 1 1 d D U . . .
C2_13 C 0.0697(4) -0.2980(4) 0.3035(4) 0.056(3) Uani 1 1 d D U . . .
F1_13 F 0.1008(3) -0.2520(4) 0.3330(4) 0.109(4) Uani 1 1 d D U . . .
F2_13 F 0.0301(3) -0.3019(4) 0.2838(3) 0.077(3) Uani 1 1 d D U . . .
F3_13 F 0.0903(3) -0.3037(3) 0.2777(3) 0.060(2) Uani 1 1 d D U . . .
C3_13 C 0.0384(4) -0.3840(4) 0.2897(4) 0.062(3) Uani 1 1 d D U . . .
F4_13 F 0.0188(4) -0.4173(5) 0.3039(5) 0.126(4) Uani 1 1 d D U . . .
F5_13 F 0.0726(3) -0.3861(3) 0.2799(4) 0.089(3) Uani 1 1 d D U . . .
F6_13 F 0.0061(3) -0.3949(4) 0.2563(3) 0.082(3) Uani 1 1 d D U . . .
C4_13 C 0.0233(4) -0.3357(5) 0.3420(4) 0.083(4) Uani 1 1 d D U . . .
F7_13 F 0.0211(4) -0.3573(6) 0.3667(4) 0.148(5) Uani 1 1 d D U . . .
F8_13 F -0.0217(3) -0.3612(3) 0.3145(3) 0.058(2) Uani 1 1 d D U . . .
F9_13 F 0.0343(4) -0.2912(5) 0.3626(4) 0.118(4) Uani 1 1 d D U . . .
Al4 Al 1.16557(13) 1.21116(14) 1.35497(12) 0.0233(9) Uani 1 1 d . U . . .
O1_14 O 1.2242(6) 1.2296(8) 1.3747(7) 0.026(3) Uani 0.580(9) 1 d D U P E 1
C1_14 C 1.2646(7) 1.2417(6) 1.3668(5) 0.029(2) Uani 0.580(9) 1 d D U P E 1
C2_14 C 1.2530(5) 1.1978(5) 1.3301(4) 0.036(4) Uani 0.580(9) 1 d D U P E 1
F1_14 F 1.2472(7) 1.1613(6) 1.3397(5) 0.055(3) Uani 0.580(9) 1 d D U P E 1
F2_14 F 1.2853(7) 1.2080(8) 1.3130(8) 0.041(4) Uani 0.580(9) 1 d D U P E 1
F3_14 F 1.2101(5) 1.1776(7) 1.3009(6) 0.040(4) Uani 0.580(9) 1 d D U P E 1
C3_14 C 1.2826(5) 1.2858(5) 1.3564(5) 0.045(4) Uani 0.580(9) 1 d D U P E 1
F4_14 F 1.2782(6) 1.3187(6) 1.3803(5) 0.047(4) Uani 0.580(9) 1 d D U P E 1
F5_14 F 1.2573(6) 1.2719(6) 1.3174(4) 0.049(4) Uani 0.580(9) 1 d D U P E 1
F6_14 F 1.3292(5) 1.3082(7) 1.3620(5) 0.062(4) Uani 0.580(9) 1 d D U P E 1
C4_14 C 1.3031(5) 1.2532(6) 1.4050(4) 0.036(4) Uani 0.580(9) 1 d D U P E 1
F7_14 F 1.3217(9) 1.2977(6) 1.4337(5) 0.049(3) Uani 0.580(9) 1 d D U P E 1
F8_14 F 1.3397(5) 1.2534(6) 1.3980(5) 0.049(4) Uani 0.580(9) 1 d D U P E 1
F9_14 F 1.2864(7) 1.2222(6) 1.4218(5) 0.049(4) Uani 0.580(9) 1 d D U P E 1
O1_48 O 1.2261(8) 1.2354(12) 1.3709(10) 0.026(3) Uani 0.420(9) 1 d D U P E 2
C1_48 C 1.2662(8) 1.2413(7) 1.3662(6) 0.029(2) Uani 0.420(9) 1 d D U P E 2
C2_48 C 1.3088(6) 1.2956(6) 1.3915(6) 0.038(4) Uani 0.420(9) 1 d D U P E 2
F1_48 F 1.2961(8) 1.3247(9) 1.3847(8) 0.047(4) Uani 0.420(9) 1 d D U P E 2
F2_48 F 1.3447(7) 1.3061(9) 1.3789(7) 0.062(4) Uani 0.420(9) 1 d D U P E 2
F3_48 F 1.3252(12) 1.3091(10) 1.4313(6) 0.049(3) Uani 0.420(9) 1 d D U P E 2
C3_48 C 1.2775(7) 1.2096(7) 1.3816(6) 0.038(4) Uani 0.420(9) 1 d D U P E 2
F4_48 F 1.2513(9) 1.1626(7) 1.3543(6) 0.055(3) Uani 0.420(9) 1 d D U P E 2
F5_48 F 1.2714(10) 1.2108(10) 1.4162(7) 0.049(4) Uani 0.420(9) 1 d D U P E 2
F6_48 F 1.3233(6) 1.2247(8) 1.3897(7) 0.049(4) Uani 0.420(9) 1 d D U P E 2
C4_48 C 1.2592(7) 1.2276(7) 1.3210(5) 0.037(4) Uani 0.420(9) 1 d D U P E 2
F7_48 F 1.2162(8) 1.1866(9) 1.2946(8) 0.040(4) Uani 0.420(9) 1 d D U P E 2
F8_48 F 1.2929(10) 1.2217(11) 1.3133(11) 0.041(4) Uani 0.420(9) 1 d D U P E 2
F9_48 F 1.2627(9) 1.2615(8) 1.3086(7) 0.049(4) Uani 0.420(9) 1 d D U P E 2
O1_15 O 1.1291(3) 1.1490(3) 1.3308(3) 0.053(3) Uani 1 1 d D U . . .
C1_15 C 1.1043(4) 1.1059(5) 1.3316(4) 0.061(3) Uani 1 1 d D U . . .
C2_15 C 1.1261(5) 1.1108(5) 1.3753(4) 0.083(4) Uani 1 1 d D U . . .
F1_15 F 1.1735(3) 1.1403(4) 1.3912(4) 0.095(3) Uani 1 1 d D U . . .
F2_15 F 1.1143(4) 1.0675(4) 1.3749(4) 0.113(4) Uani 1 1 d D U . . .
F3_15 F 1.1092(5) 1.1283(4) 1.4008(4) 0.109(4) Uani 1 1 d D U . . .
C3_15 C 1.0528(4) 1.0891(4) 1.3241(4) 0.074(4) Uani 1 1 d D U . . .
F4_15 F 1.0260(4) 1.0678(4) 1.2822(3) 0.110(4) Uani 1 1 d D U . . .
F5_15 F 1.0485(3) 1.1250(3) 1.3410(3) 0.071(3) Uani 1 1 d D U . . .
F6_15 F 1.0279(4) 1.0524(4) 1.3336(4) 0.101(4) Uani 1 1 d D U . . .
C4_15 C 1.1073(4) 1.0688(4) 1.3013(4) 0.084(4) Uani 1 1 d D U . . .
F7_15 F 1.0984(4) 1.0730(4) 1.2658(4) 0.106(4) Uani 1 1 d D U . . .
F8_15 F 1.0775(4) 1.0241(3) 1.2988(4) 0.112(4) Uani 1 1 d D U . . .
F9_15 F 1.1505(3) 1.0780(3) 1.3143(3) 0.072(3) Uani 1 1 d D U . . .
O1_16 O 1.1511(3) 1.2299(3) 1.3957(3) 0.039(2) Uani 1 1 d D U . . .
C1_16 C 1.1644(4) 1.2635(4) 1.4332(4) 0.035(2) Uani 1 1 d D U . . .
C2_16 C 1.2066(4) 1.2703(4) 1.4648(3) 0.046(3) Uani 1 1 d D U . . .
F1_16 F 1.2003(3) 1.2281(3) 1.4595(3) 0.074(3) Uani 1 1 d D U . . .
F2_16 F 1.2113(3) 1.2919(4) 1.5035(2) 0.072(3) Uani 1 1 d D U . . .
F3_16 F 1.2477(3) 1.2971(3) 1.4620(2) 0.044(2) Uani 1 1 d D U . . .
C3_16 C 1.1800(4) 1.3129(4) 1.4333(3) 0.043(3) Uani 1 1 d D U . . .
F4_16 F 1.1415(3) 1.3116(3) 1.4150(3) 0.051(2) Uani 1 1 d D U . . .
F5_16 F 1.2080(3) 1.3234(3) 1.4127(3) 0.053(2) Uani 1 1 d D U . . .
F6_16 F 1.2043(3) 1.3503(3) 1.4705(3) 0.065(3) Uani 1 1 d D U . . .
C4_16 C 1.1204(4) 1.2443(4) 1.4448(3) 0.047(3) Uani 1 1 d D U . . .
F7_16 F 1.0796(3) 1.2248(3) 1.4130(3) 0.056(2) Uani 1 1 d D U . . .
F8_16 F 1.1246(3) 1.2784(3) 1.4757(3) 0.066(3) Uani 1 1 d D U . . .
F9_16 F 1.1138(4) 1.2086(4) 1.4562(3) 0.077(3) Uani 1 1 d D U . . .
O1_17 O 1.1587(3) 1.2347(3) 1.3214(3) 0.039(2) Uani 1 1 d D U . . .
C1_17 C 1.1292(4) 1.2335(4) 1.2895(4) 0.042(3) Uani 1 1 d D U . . .
C2_17 C 1.1611(4) 1.2693(4) 1.2755(4) 0.065(3) Uani 1 1 d D U . . .
F1_17 F 1.1970(4) 1.3120(3) 1.3088(3) 0.085(3) Uani 1 1 d D U . . .
F2_17 F 1.1362(4) 1.2811(5) 1.2534(4) 0.114(4) Uani 1 1 d D U . . .
F3_17 F 1.1806(3) 1.2517(3) 1.2533(3) 0.049(2) Uani 1 1 d D U . . .
C3_17 C 1.0970(4) 1.1806(4) 1.2542(4) 0.070(4) Uani 1 1 d D U . . .
F4_17 F 1.0601(3) 1.1519(4) 1.2623(3) 0.091(3) Uani 1 1 d D U . . .
F5_17 F 1.1233(3) 1.1637(4) 1.2483(3) 0.077(3) Uani 1 1 d D U . . .
F6_17 F 1.0790(4) 1.1822(4) 1.2198(3) 0.098(4) Uani 1 1 d D U . . .
C4_17 C 1.0959(4) 1.2454(4) 1.3029(3) 0.057(3) Uani 1 1 d D U . . .
F7_17 F 1.0774(3) 1.2236(3) 1.3251(3) 0.047(2) Uani 1 1 d D U . . .
F8_17 F 1.0612(3) 1.2367(3) 1.2716(2) 0.054(2) Uani 1 1 d D U . . .
F9_17 F 1.1251(4) 1.2964(3) 1.3292(3) 0.071(3) Uani 1 1 d D U . . .
Al5 Al 0.93328(13) 1.06556(14) 1.06340(12) 0.0228(9) Uani 1 1 d . U . . .
O1_18 O 0.9315(3) 1.0890(3) 1.0285(3) 0.033(2) Uani 1 1 d D U . . .
C1_18 C 0.9555(4) 1.1226(4) 1.0147(3) 0.035(3) Uani 1 1 d D U . . .
C2_18 C 0.9181(4) 1.1209(4) 0.9826(4) 0.060(3) Uani 1 1 d D U . . .
F1_18 F 0.8968(4) 1.0807(3) 0.9469(3) 0.077(3) Uani 1 1 d D U . . .
F2_18 F 0.9375(3) 1.1594(3) 0.9737(3) 0.073(3) Uani 1 1 d D U . . .
F3_18 F 0.8838(3) 1.1191(4) 0.9944(3) 0.075(3) Uani 1 1 d D U . . .
C3_18 C 0.9889(4) 1.1745(4) 1.0499(3) 0.048(3) Uani 1 1 d D U . . .
F4_18 F 1.0119(3) 1.1739(3) 1.0828(3) 0.070(3) Uani 1 1 d D U . . .
F5_18 F 0.9631(3) 1.1915(3) 1.0608(3) 0.070(3) Uani 1 1 d D U . . .
F6_18 F 1.0227(3) 1.2068(3) 1.0413(3) 0.057(2) Uani 1 1 d D U . . .
C4_18 C 0.9864(4) 1.1114(4) 0.9955(4) 0.051(3) Uani 1 1 d D U . . .
F7_18 F 1.0261(3) 1.1229(4) 1.0246(3) 0.072(3) Uani 1 1 d D U . . .
F8_18 F 1.0018(3) 1.1356(3) 0.9734(3) 0.063(3) Uani 1 1 d D U . . .
F9_18 F 0.9621(4) 1.0641(3) 0.9712(3) 0.073(3) Uani 1 1 d D U . . .
O1_19 O 0.9402(3) 1.1029(3) 1.1100(2) 0.0256(19) Uani 1 1 d D U . . .
C1_19 C 0.9193(4) 1.1148(4) 1.1342(3) 0.026(2) Uani 1 1 d D U . . .
C2_19 C 0.9000(3) 1.1426(4) 1.1203(3) 0.028(2) Uani 1 1 d D U . . .
F1_19 F 0.9365(3) 1.1882(3) 1.1294(2) 0.043(2) Uani 1 1 d D U . . .
F2_19 F 0.8711(3) 1.1470(3) 1.1376(2) 0.039(2) Uani 1 1 d D U . . .
F3_19 F 0.8764(3) 1.1207(3) 1.0796(2) 0.046(2) Uani 1 1 d D U . . .
C3_19 C 0.8780(3) 1.0699(3) 1.1348(3) 0.033(3) Uani 1 1 d D U . . .
F4_19 F 0.8886(3) 1.0379(3) 1.1359(3) 0.042(2) Uani 1 1 d D U . . .
F5_19 F 0.8376(2) 1.0463(3) 1.1012(2) 0.0386(19) Uani 1 1 d D U . . .
F6_19 F 0.8663(3) 1.0812(3) 1.1670(2) 0.0334(18) Uani 1 1 d D U . . .
C4_19 C 0.9587(3) 1.1490(4) 1.1780(3) 0.033(3) Uani 1 1 d D U . . .
F7_19 F 0.9657(3) 1.1243(3) 1.1972(2) 0.041(2) Uani 1 1 d D U . . .
F8_19 F 0.9479(3) 1.1760(3) 1.2018(2) 0.039(2) Uani 1 1 d D U . . .
F9_19 F 1.0007(2) 1.1803(3) 1.1783(2) 0.0331(18) Uani 1 1 d D U . . .
O1_20 O 0.8790(3) 1.0110(3) 1.0451(3) 0.030(2) Uani 1 1 d D U . . .
C1_20 C 0.8448(4) 0.9645(4) 1.0130(4) 0.031(2) Uani 1 1 d D U . . .
C2_20 C 0.8550(4) 0.9623(4) 0.9743(3) 0.041(3) Uani 1 1 d D U . . .
F1_20 F 0.9017(3) 0.9834(3) 0.9826(3) 0.054(2) Uani 1 1 d D U . . .
F2_20 F 0.8305(3) 0.9159(3) 0.9457(3) 0.059(3) Uani 1 1 d D U . . .
F3_20 F 0.8414(3) 0.9856(3) 0.9578(2) 0.047(2) Uani 1 1 d D U . . .
C3_20 C 0.7956(3) 0.9556(4) 1.0068(3) 0.033(3) Uani 1 1 d D U . . .
F4_20 F 0.7813(3) 0.9455(3) 1.0360(2) 0.041(2) Uani 1 1 d D U . . .
F5_20 F 0.7955(3) 0.9940(3) 1.0077(2) 0.040(2) Uani 1 1 d D U . . .
F6_20 F 0.7617(3) 0.9175(3) 0.9711(2) 0.049(2) Uani 1 1 d D U . . .
C4_20 C 0.8486(4) 0.9278(4) 1.0266(3) 0.036(3) Uani 1 1 d D U . . .
F7_20 F 0.8532(3) 0.9376(3) 1.0653(2) 0.043(2) Uani 1 1 d D U . . .
F8_20 F 0.8090(3) 0.8823(3) 1.0031(3) 0.051(2) Uani 1 1 d D U . . .
F9_20 F 0.8855(3) 0.9269(3) 1.0227(3) 0.053(2) Uani 1 1 d D U . . .
O1_21 O 0.9823(3) 1.0623(3) 1.0725(3) 0.039(2) Uani 1 1 d D U . . .
C1_21 C 1.0165(4) 1.0621(4) 1.0984(3) 0.043(3) Uani 1 1 d D U . . .
C2_21 C 0.9996(4) 1.0459(4) 1.1298(3) 0.055(3) Uani 1 1 d D U . . .
F1_21 F 1.0063(3) 1.0834(4) 1.1610(3) 0.069(3) Uani 1 1 d D U . . .
F2_21 F 1.0237(3) 1.0307(3) 1.1482(3) 0.054(2) Uani 1 1 d D U . . .
F3_21 F 0.9532(3) 1.0101(3) 1.1142(3) 0.065(3) Uani 1 1 d D U . . .
C3_21 C 1.0263(4) 1.0279(5) 1.0731(4) 0.064(4) Uani 1 1 d D U . . .
F4_21 F 1.0284(4) 1.0319(4) 1.0391(3) 0.094(4) Uani 1 1 d D U . . .
F5_21 F 0.9896(3) 0.9812(4) 1.0608(4) 0.103(4) Uani 1 1 d D U . . .
F6_21 F 1.0659(3) 1.0328(3) 1.0935(2) 0.053(2) Uani 1 1 d D U . . .
C4_21 C 1.0629(4) 1.1141(4) 1.1208(3) 0.054(3) Uani 1 1 d D U . . .
F7_21 F 1.0862(4) 1.1260(5) 1.0958(3) 0.096(4) Uani 1 1 d D U . . .
F8_21 F 1.0932(3) 1.1177(3) 1.1528(2) 0.053(2) Uani 1 1 d D U . . .
F9_21 F 1.0546(3) 1.1472(3) 1.1331(3) 0.067(3) Uani 1 1 d D U . . .
Al6 Al 1.14186(13) 0.68840(13) 0.85409(11) 0.0208(9) Uani 1 1 d D U . . .
O1_26 O 1.1688(3) 0.6945(3) 0.8201(3) 0.029(2) Uani 1 1 d D U . . .
C1_26 C 1.2090(4) 0.7149(4) 0.8119(3) 0.036(2) Uani 1 1 d D U . . .
C2_26 C 1.2388(4) 0.6953(4) 0.8239(4) 0.057(3) Uani 1 1 d D U . . .
F1_26 F 1.2181(4) 0.6492(3) 0.7967(3) 0.072(3) Uani 1 1 d D U . . .
F2_26 F 1.2432(3) 0.6959(4) 0.8606(3) 0.071(3) Uani 1 1 d D U . . .
F3_26 F 1.2833(3) 0.7217(4) 0.8262(3) 0.080(3) Uani 1 1 d D U . . .
C3_26 C 1.2400(4) 0.7710(4) 0.8362(3) 0.040(3) Uani 1 1 d D U . . .
F4_26 F 1.2720(3) 0.7944(3) 0.8218(3) 0.058(2) Uani 1 1 d D U . . .
F5_26 F 1.2127(3) 0.7879(3) 0.8354(2) 0.043(2) Uani 1 1 d D U . . .
F6_26 F 1.2647(3) 0.7860(3) 0.8757(3) 0.061(2) Uani 1 1 d D U . . .
C4_26 C 1.1935(4) 0.7014(4) 0.7661(3) 0.042(3) Uani 1 1 d D U . . .
F7_26 F 1.1567(3) 0.6542(3) 0.7442(3) 0.068(3) Uani 1 1 d D U . . .
F8_26 F 1.2276(3) 0.7066(3) 0.7525(3) 0.052(2) Uani 1 1 d D U . . .
F9_26 F 1.1780(3) 0.7271(3) 0.7561(2) 0.051(2) Uani 1 1 d D U . . .
O1_27 O 1.0823(3) 0.6632(3) 0.8275(3) 0.032(2) Uani 1 1 d D U . . .
C1_27 C 1.0475(3) 0.6585(4) 0.7984(3) 0.030(2) Uani 1 1 d D U . . .
C2_27 C 1.0269(4) 0.6142(4) 0.7571(3) 0.040(3) Uani 1 1 d D U . . .
F1_27 F 1.0000(3) 0.5718(3) 0.7589(3) 0.050(2) Uani 1 1 d D U . . .
F2_27 F 1.0623(3) 0.6143(3) 0.7482(2) 0.045(2) Uani 1 1 d D U . . .
F3_27 F 0.9995(3) 0.6132(3) 0.7254(2) 0.044(2) Uani 1 1 d D U . . .
C3_27 C 1.0661(4) 0.7045(4) 0.7911(3) 0.037(3) Uani 1 1 d D U . . .
F4_27 F 1.0955(3) 0.7449(3) 0.8265(2) 0.042(2) Uani 1 1 d D U . . .
F5_27 F 1.0910(3) 0.7068(3) 0.7678(2) 0.044(2) Uani 1 1 d D U . . .
F6_27 F 1.0309(3) 0.7085(3) 0.7735(2) 0.045(2) Uani 1 1 d D U . . .
C4_27 C 1.0069(3) 0.6501(4) 0.8133(3) 0.038(3) Uani 1 1 d D U . . .
F7_27 F 0.9975(3) 0.6190(3) 0.8308(2) 0.043(2) Uani 1 1 d D U . . .
F8_27 F 1.0179(3) 0.6916(3) 0.8414(2) 0.048(2) Uani 1 1 d D U . . .
F9_27 F 0.9647(3) 0.6297(3) 0.7833(2) 0.049(2) Uani 1 1 d D U . . .
O1_28 O 1.1698(3) 0.7459(3) 0.8928(2) 0.032(2) Uani 1 1 d D U . . .
C1_28 C 1.1767(4) 0.7718(3) 0.9312(3) 0.031(2) Uani 1 1 d D U . . .
C2_28 C 1.1287(4) 0.7590(4) 0.9350(3) 0.045(3) Uani 1 1 d D U . . .
F1_28 F 1.1108(3) 0.7786(3) 0.9166(3) 0.059(2) Uani 1 1 d D U . . .
F2_28 F 1.0969(3) 0.7106(3) 0.9175(2) 0.047(2) Uani 1 1 d D U . . .
F3_28 F 1.1330(3) 0.7756(3) 0.9737(2) 0.059(2) Uani 1 1 d D U . . .
C3_28 C 1.2041(4) 0.7636(4) 0.9629(3) 0.049(3) Uani 1 1 d D U . . .
F4_28 F 1.1745(3) 0.7208(3) 0.9631(2) 0.054(2) Uani 1 1 d D U . . .
F5_28 F 1.2250(4) 0.7996(3) 1.0011(2) 0.067(3) Uani 1 1 d D U . . .
F6_28 F 1.2391(3) 0.7619(3) 0.9535(3) 0.060(2) Uani 1 1 d D U . . .
C4_28 C 1.2071(4) 0.8266(3) 0.9404(3) 0.038(3) Uani 1 1 d D U . . .
F7_28 F 1.2064(3) 0.8549(3) 0.9727(2) 0.048(2) Uani 1 1 d D U . . .
F8_28 F 1.2535(3) 0.8433(3) 0.9477(3) 0.059(2) Uani 1 1 d D U . . .
F9_28 F 1.1908(3) 0.8335(3) 0.9085(2) 0.046(2) Uani 1 1 d D U . . .
O1_29 O 1.1441(3) 0.6497(3) 0.8739(3) 0.030(2) Uani 1 1 d D U . . .
C1_29 C 1.1241(4) 0.6033(4) 0.8694(3) 0.038(3) Uani 1 1 d D U . . .
C2_29 C 1.1235(4) 0.5730(4) 0.8300(3) 0.055(3) Uani 1 1 d D U . . .
F1_29 F 1.1095(3) 0.5819(3) 0.7984(2) 0.058(3) Uani 1 1 d D U . . .
F2_29 F 1.1675(3) 0.5825(3) 0.8348(3) 0.060(2) Uani 1 1 d D U . . .
F3_29 F 1.0927(3) 0.5241(3) 0.8172(3) 0.061(3) Uani 1 1 d D U . . .
C3_29 C 1.1550(4) 0.6047(4) 0.9067(3) 0.046(3) Uani 1 1 d D U . . .
F4_29 F 1.1456(3) 0.6194(3) 0.9389(2) 0.047(2) Uani 1 1 d D U . . .
F5_29 F 1.2020(3) 0.6349(3) 0.9151(3) 0.053(2) Uani 1 1 d D U . . .
F6_29 F 1.1468(3) 0.5606(3) 0.8995(3) 0.060(3) Uani 1 1 d D U . . .
C4_29 C 1.0719(4) 0.5804(4) 0.8670(4) 0.054(3) Uani 1 1 d D U . . .
F7_29 F 1.0578(3) 0.5432(3) 0.8772(3) 0.069(3) Uani 1 1 d D U . . .
F8_29 F 1.0687(3) 0.6129(3) 0.8926(3) 0.059(2) Uani 1 1 d D U . . .
F9_29 F 1.0417(3) 0.5640(3) 0.8287(3) 0.072(3) Uani 1 1 d D U . . .
Al7 Al 0.99645(13) 0.62013(13) 1.06524(12) 0.0262(9) Uani 1 1 d D U . . .
O1_30 O 0.9446(3) 0.5650(3) 1.0297(2) 0.035(2) Uani 1 1 d D U . . .
C1_30 C 0.8954(4) 0.5341(4) 1.0154(3) 0.040(3) Uani 1 1 d D U . . .
C2_30 C 0.8782(4) 0.5396(4) 1.0501(3) 0.054(3) Uani 1 1 d D U . . .
F1_30 F 0.9066(3) 0.5452(3) 1.0841(3) 0.065(3) Uani 1 1 d D U . . .
F2_30 F 0.8753(3) 0.5784(3) 1.0592(3) 0.075(3) Uani 1 1 d D U . . .
F3_30 F 0.8337(3) 0.5005(3) 1.0397(3) 0.066(3) Uani 1 1 d D U . . .
C3_30 C 0.8731(4) 0.5460(4) 0.9834(4) 0.057(3) Uani 1 1 d D U . . .
F4_30 F 0.8938(3) 0.5937(3) 0.9963(3) 0.069(3) Uani 1 1 d D U . . .
F5_30 F 0.8259(3) 0.5245(3) 0.9739(3) 0.066(3) Uani 1 1 d D U . . .
F6_30 F 0.8788(3) 0.5309(3) 0.9485(3) 0.068(3) Uani 1 1 d D U . . .
C4_30 C 0.8819(4) 0.4821(4) 0.9950(3) 0.047(3) Uani 1 1 d D U . . .
F7_30 F 0.8352(3) 0.4497(3) 0.9712(3) 0.055(2) Uani 1 1 d D U . . .
F8_30 F 0.9058(3) 0.4787(3) 0.9716(3) 0.056(2) Uani 1 1 d D U . . .
F9_30 F 0.8923(3) 0.4687(3) 1.0242(3) 0.060(2) Uani 1 1 d D U . . .
O1_31 O 1.0421(3) 0.6352(3) 1.0478(3) 0.037(2) Uani 1 1 d D U . . .
C1_31 C 1.0552(4) 0.6350(4) 1.0160(3) 0.040(3) Uani 1 1 d D U . . .
C2_31 C 1.0447(4) 0.6664(4) 0.9985(4) 0.060(3) Uani 1 1 d D U . . .
F1_31 F 1.0765(3) 0.7145(3) 1.0234(3) 0.064(2) Uani 1 1 d D U . . .
F2_31 F 1.0010(3) 0.6555(4) 0.9952(3) 0.074(3) Uani 1 1 d D U . . .
C3_31 C 1.0291(4) 0.5830(4) 0.9824(3) 0.057(3) Uani 1 1 d D U . . .
F3_31 F 1.0468(3) 0.6590(4) 0.9616(3) 0.072(3) Uani 1 1 d D U . . .
F4_31 F 1.0259(3) 0.5522(3) 0.9988(3) 0.071(3) Uani 1 1 d D U . . .
F5_31 F 0.9846(3) 0.5670(4) 0.9597(3) 0.081(3) Uani 1 1 d D U . . .
F6_31 F 1.0522(4) 0.5811(4) 0.9576(3) 0.082(3) Uani 1 1 d D U . . .
C4_31 C 1.1102(4) 0.6592(4) 1.0315(3) 0.048(3) Uani 1 1 d D U . . .
F7_31 F 1.1301(3) 0.6738(3) 1.0064(3) 0.066(3) Uani 1 1 d D U . . .
F8_31 F 1.1197(3) 0.6283(3) 1.0388(3) 0.062(2) Uani 1 1 d D U . . .
F9_31 F 1.1338(3) 0.6999(3) 1.0678(2) 0.049(2) Uani 1 1 d D U . . .
O1_32 O 1.0175(3) 0.6192(3) 1.1116(2) 0.032(2) Uani 1 1 d D U . . .
C1_32 C 1.0425(3) 0.6061(3) 1.1321(3) 0.034(2) Uani 1 1 d D U . . .
C2_32 C 1.0346(4) 0.5588(3) 1.1038(3) 0.042(3) Uani 1 1 d D U . . .
F1_32 F 0.9887(4) 0.5212(5) 1.0958(6) 0.044(5) Uani 0.434(15) 1 d D U P F 1
F2_32 F 1.0289(7) 0.5525(6) 1.0648(4) 0.044(5) Uani 0.434(15) 1 d D U P F 1
F3_32 F 1.0609(6) 0.5428(7) 1.1135(6) 0.042(5) Uani 0.434(15) 1 d D U P F 1
F1B_32 F 0.9946(4) 0.5298(5) 1.0763(4) 0.052(5) Uani 0.566(15) 1 d D U P F 2
F2B_32 F 1.0703(4) 0.5775(5) 1.0902(4) 0.042(4) Uani 0.566(15) 1 d D U P F 2
F3B_32 F 1.0480(5) 0.5393(6) 1.1259(4) 0.040(4) Uani 0.566(15) 1 d D U P F 2
C3_32 C 1.0967(3) 0.6468(4) 1.1498(3) 0.053(3) Uani 1 1 d D U . . .
F4_32 F 1.1115(6) 0.6372(7) 1.1164(4) 0.058(5) Uani 0.442(15) 1 d D U P G 1
F5_32 F 1.1249(9) 0.6425(10) 1.1763(6) 0.040(6) Uani 0.442(15) 1 d D U P G 1
F6_32 F 1.1138(6) 0.6925(4) 1.1603(7) 0.056(6) Uani 0.442(15) 1 d D U P G 1
F4B_32 F 1.1118(4) 0.6742(5) 1.1335(4) 0.038(4) Uani 0.558(15) 1 d D U P G 2
F5B_32 F 1.1007(5) 0.6841(4) 1.1871(4) 0.044(4) Uani 0.558(15) 1 d D U P G 2
F6B_32 F 1.1262(7) 0.6397(8) 1.1699(5) 0.036(5) Uani 0.558(15) 1 d D U P G 2
C4_32 C 1.0265(4) 0.5993(4) 1.1667(3) 0.043(3) Uani 1 1 d D U . . .
F7_32 F 1.0520(6) 0.5953(6) 1.1954(4) 0.045(5) Uani 0.587(17) 1 d D U P H 3
F8_32 F 1.0145(5) 0.6287(5) 1.1854(4) 0.041(4) Uani 0.587(17) 1 d D U P H 3
F9_32 F 0.9814(4) 0.5555(4) 1.1489(4) 0.043(4) Uani 0.587(17) 1 d D U P H 3
F7B_32 F 1.0558(6) 0.6479(5) 1.1967(4) 0.037(5) Uani 0.413(17) 1 d D U P H 4
F8B_32 F 1.0446(8) 0.5782(8) 1.1820(7) 0.041(6) Uani 0.413(17) 1 d D U P H 4
F9B_32 F 0.9848(5) 0.5822(8) 1.1597(6) 0.049(6) Uani 0.413(17) 1 d D U P H 4
O1_33 O 0.9827(3) 0.6625(3) 1.0755(2) 0.0254(19) Uani 1 1 d D U . . .
C1_33 C 0.9947(3) 0.7056(4) 1.1034(3) 0.034(2) Uani 1 1 d D U . . .
C2_33 C 1.0444(3) 0.7475(3) 1.1110(3) 0.035(3) Uani 1 1 d D U . . .
F1_33 F 1.0626(3) 0.7881(3) 1.1441(2) 0.044(2) Uani 1 1 d D U . . .
F2_33 F 1.0438(3) 0.7589(3) 1.0789(3) 0.058(2) Uani 1 1 d D U . . .
F3_33 F 1.0758(3) 0.7357(3) 1.1149(3) 0.048(2) Uani 1 1 d D U . . .
C3_33 C 0.9954(4) 0.7042(4) 1.1447(3) 0.040(3) Uani 1 1 d D U . . .
F4_33 F 1.0355(3) 0.7113(3) 1.1673(3) 0.053(2) Uani 1 1 d D U . . .
F5_33 F 0.9905(3) 0.7374(3) 1.1679(3) 0.057(2) Uani 1 1 d D U . . .
F6_33 F 0.9593(3) 0.6607(3) 1.1396(3) 0.052(2) Uani 1 1 d D U . . .
C4_33 C 0.9564(4) 0.7137(4) 1.0862(4) 0.046(3) Uani 1 1 d D U . . .
F7_33 F 0.9706(3) 0.7595(3) 1.1078(3) 0.054(2) Uani 1 1 d D U . . .
F8_33 F 0.9147(3) 0.6838(3) 1.0880(3) 0.061(2) Uani 1 1 d D U . . .
F9_33 F 0.9480(3) 0.7054(3) 1.0469(3) 0.061(2) Uani 1 1 d D U . . .
Al8 Al 0.51063(13) 0.86028(13) 0.93765(11) 0.0204(9) Uani 1 1 d D U . . .
O1_34 O 0.4946(3) 0.8209(3) 0.8885(2) 0.033(2) Uani 1 1 d D U . . .
C1_34 C 0.4709(4) 0.7753(4) 0.8586(3) 0.031(2) Uani 1 1 d D U . . .
C2_34 C 0.4920(4) 0.7779(4) 0.8258(3) 0.047(3) Uani 1 1 d D U . . .
F1_34 F 0.5024(3) 0.8167(3) 0.8193(2) 0.047(2) Uani 1 1 d D U . . .
F2_34 F 0.4635(3) 0.7386(3) 0.7897(2) 0.049(2) Uani 1 1 d D U . . .
F3_34 F 0.5343(3) 0.7823(3) 0.8401(3) 0.063(2) Uani 1 1 d D U . . .
C3_34 C 0.4163(4) 0.7538(4) 0.8381(3) 0.042(3) Uani 1 1 d D U . . .
F4_34 F 0.3995(3) 0.7640(3) 0.8655(2) 0.043(2) Uani 1 1 d D U . . .
F5_34 F 0.4098(3) 0.7729(3) 0.8126(3) 0.059(2) Uani 1 1 d D U . . .
F6_34 F 0.3898(3) 0.7053(3) 0.8172(2) 0.056(2) Uani 1 1 d D U . . .
C4_34 C 0.4740(4) 0.7406(4) 0.8758(3) 0.051(3) Uani 1 1 d D U . . .
F7_34 F 0.5189(3) 0.7625(3) 0.9028(3) 0.060(2) Uani 1 1 d D U . . .
F8_34 F 0.4659(4) 0.7013(3) 0.8457(3) 0.079(3) Uani 1 1 d D U . . .
F9_34 F 0.4417(3) 0.7245(3) 0.8929(2) 0.052(2) Uani 1 1 d D U . . .
O1_35 O 0.5168(3) 0.9116(3) 0.9370(2) 0.031(2) Uani 1 1 d D U . . .
C1_35 C 0.4987(4) 0.9320(3) 0.9181(3) 0.031(2) Uani 1 1 d D U . . .
C2_35 C 0.5277(4) 0.9867(4) 0.9474(3) 0.041(3) Uani 1 1 d D U . . .
F1_35 F 0.5710(3) 1.0109(3) 0.9467(3) 0.049(2) Uani 1 1 d D U . . .
F2_35 F 0.5339(3) 0.9939(3) 0.9857(2) 0.050(2) Uani 1 1 d D U . . .
F3_35 F 0.5051(3) 1.0067(3) 0.9364(3) 0.047(2) Uani 1 1 d D U . . .
C3_35 C 0.4450(3) 0.9069(4) 0.9101(3) 0.040(3) Uani 1 1 d D U . . .
F4_35 F 0.4394(3) 0.9227(3) 0.9451(2) 0.054(2) Uani 1 1 d D U . . .
F5_35 F 0.4223(3) 0.9160(3) 0.8833(3) 0.052(2) Uani 1 1 d D U . . .
F6_35 F 0.4212(3) 0.8589(3) 0.8955(3) 0.047(2) Uani 1 1 d D U . . .
C4_35 C 0.5049(4) 0.9254(4) 0.8773(3) 0.036(3) Uani 1 1 d D U . . .
F7_35 F 0.5473(3) 0.9343(3) 0.8806(3) 0.055(2) Uani 1 1 d D U . . .
F8_35 F 0.4999(3) 0.9550(3) 0.8626(3) 0.051(2) Uani 1 1 d D U . . .
F9_35 F 0.4717(3) 0.8798(3) 0.8483(2) 0.049(2) Uani 1 1 d D U . . .
O1_36 O 0.4694(3) 0.8297(3) 0.9561(3) 0.037(2) Uani 1 1 d D U . . .
C1_36 C 0.4579(4) 0.8266(4) 0.9883(3) 0.033(2) Uani 1 1 d D U . . .
C2_36 C 0.4540(4) 0.7821(4) 0.9926(3) 0.044(3) Uani 1 1 d D U . . .
F1_36 F 0.4137(3) 0.7404(3) 0.9631(2) 0.050(2) Uani 1 1 d D U . . .
F2_36 F 0.4904(3) 0.7805(3) 0.9892(3) 0.054(2) Uani 1 1 d D U . . .
F3_36 F 0.4530(3) 0.7817(3) 1.0282(2) 0.052(2) Uani 1 1 d D U . . .
C3_36 C 0.4962(4) 0.8725(4) 1.0283(3) 0.043(3) Uani 1 1 d D U . . .
F4_36 F 0.5352(3) 0.8731(3) 1.0436(2) 0.049(2) Uani 1 1 d D U . . .
F5_36 F 0.4799(3) 0.8771(3) 1.0580(3) 0.068(3) Uani 1 1 d D U . . .
F6_36 F 0.5113(3) 0.9128(3) 1.0229(3) 0.052(2) Uani 1 1 d D U . . .
C4_36 C 0.4086(4) 0.8193(4) 0.9804(3) 0.045(3) Uani 1 1 d D U . . .
F7_36 F 0.3885(3) 0.8027(3) 1.0047(3) 0.057(2) Uani 1 1 d D U . . .
F8_36 F 0.4127(3) 0.8609(3) 0.9862(3) 0.063(3) Uani 1 1 d D U . . .
F9_36 F 0.3786(3) 0.7883(3) 0.9415(2) 0.050(2) Uani 1 1 d D U . . .
O1_37 O 0.5661(3) 0.8792(3) 0.9706(2) 0.032(2) Uani 1 1 d D U . . .
C1_37 C 0.6145(3) 0.9060(4) 0.9816(3) 0.028(2) Uani 1 1 d D U . . .
C2_37 C 0.6362(4) 0.9604(4) 0.9942(3) 0.044(3) Uani 1 1 d D U . . .
F1_37 F 0.6839(3) 0.9889(3) 1.0158(3) 0.060(3) Uani 1 1 d D U . . .
F2_37 F 0.6158(3) 0.9745(3) 1.0166(3) 0.066(3) Uani 1 1 d D U . . .
F3_37 F 0.6283(3) 0.9690(3) 0.9611(3) 0.059(2) Uani 1 1 d D U . . .
C3_37 C 0.6274(4) 0.8873(4) 0.9468(3) 0.040(3) Uani 1 1 d D U . . .
F4_37 F 0.6007(3) 0.8815(3) 0.9114(2) 0.055(2) Uani 1 1 d D U . . .
F5_37 F 0.6172(3) 0.8435(3) 0.9397(3) 0.067(3) Uani 1 1 d D U . . .
F6_37 F 0.6731(3) 0.9159(3) 0.9524(3) 0.057(2) Uani 1 1 d D U . . .
C4_37 C 0.6367(4) 0.8999(4) 1.0182(3) 0.047(3) Uani 1 1 d D U . . .
F7_37 F 0.6117(3) 0.8533(3) 1.0116(3) 0.061(2) Uani 1 1 d D U . . .
F8_37 F 0.6817(3) 0.9141(3) 1.0263(3) 0.063(3) Uani 1 1 d D U . . .
F9_37 F 0.6358(3) 0.9247(3) 1.0524(2) 0.064(3) Uani 1 1 d D U . . .
Al9 Al 0.67213(14) 0.70915(14) 0.86291(12) 0.0270(9) Uani 1 1 d D U . . .
O1_38 O 0.6645(4) 0.7461(3) 0.8447(3) 0.057(3) Uani 1 1 d D U . . .
C1_38 C 0.6523(4) 0.7579(4) 0.8148(3) 0.043(3) Uani 1 1 d D U . . .
C2_38 C 0.6696(4) 0.8118(4) 0.8336(4) 0.059(3) Uani 1 1 d D U . . .
F1_38 F 0.7143(4) 0.8396(3) 0.8625(4) 0.108(4) Uani 1 1 d D U . . .
F2_38 F 0.6403(4) 0.8170(3) 0.8507(3) 0.078(3) Uani 1 1 d D U . . .
F3_38 F 0.6703(3) 0.8291(3) 0.8053(3) 0.059(2) Uani 1 1 d D U . . .
C3_38 C 0.5966(4) 0.7261(4) 0.7933(4) 0.057(3) Uani 1 1 d D U . . .
F4_38 F 0.5745(4) 0.7212(4) 0.8184(3) 0.083(3) Uani 1 1 d D U . . .
F5_38 F 0.5811(3) 0.7449(4) 0.7718(3) 0.079(3) Uani 1 1 d D U . . .
F6_38 F 0.5794(3) 0.6803(3) 0.7671(3) 0.068(3) Uani 1 1 d D U . . .
C4_38 C 0.6718(4) 0.7479(4) 0.7824(4) 0.064(3) Uani 1 1 d D U . . .
F7_38 F 0.7185(3) 0.7829(4) 0.7964(4) 0.099(4) Uani 1 1 d D U . . .
F8_38 F 0.6518(4) 0.7483(4) 0.7480(3) 0.076(3) Uani 1 1 d D U . . .
F9_38 F 0.6668(4) 0.7053(3) 0.7725(3) 0.079(3) Uani 1 1 d D U . . .
O1_39 O 0.6681(4) 0.7189(5) 0.9099(3) 0.029(3) Uani 0.701(5) 1 d D U P I 1
C1_39 C 0.6498(5) 0.7319(5) 0.9362(4) 0.037(2) Uani 0.701(5) 1 d D U P I 1
C2_39 C 0.6400(5) 0.6996(5) 0.9597(4) 0.055(4) Uani 0.701(5) 1 d D U P I 1
F1_39 F 0.6774(5) 0.6973(5) 0.9720(4) 0.063(2) Uani 0.701(5) 1 d D U P I 1
F2_39 F 0.6357(5) 0.7200(5) 0.9939(4) 0.063(2) Uani 0.701(5) 1 d D U P I 1
F3_39 F 0.6007(4) 0.6543(4) 0.9355(4) 0.056(3) Uani 0.701(5) 1 d D U P I 1
C3_39 C 0.6851(5) 0.7862(4) 0.9665(4) 0.048(3) Uani 0.701(5) 1 d D U P I 1
F4_39 F 0.7213(4) 0.7926(5) 0.9949(4) 0.069(4) Uani 0.701(5) 1 d D U P I 1
F5_39 F 0.6639(5) 0.8043(5) 0.9857(4) 0.059(3) Uani 0.701(5) 1 d D U P I 1
F6_39 F 0.7041(4) 0.8140(4) 0.9479(4) 0.049(3) Uani 0.701(5) 1 d D U P I 1
C4_39 C 0.6012(5) 0.7230(5) 0.9133(4) 0.045(3) Uani 0.701(5) 1 d D U P I 1
F7_39 F 0.5752(4) 0.7202(5) 0.9358(4) 0.056(3) Uani 0.701(5) 1 d D U P I 1
F8_39 F 0.6092(4) 0.7591(4) 0.9024(4) 0.055(3) Uani 0.701(5) 1 d D U P I 1
F9_39 F 0.5747(4) 0.6808(4) 0.8787(3) 0.043(3) Uani 0.701(5) 1 d D U P I 1
O1_50 O 0.6519(9) 0.7129(10) 0.9012(6) 0.029(3) Uani 0.299(5) 1 d D U P I 2
C1_50 C 0.6602(7) 0.7402(7) 0.9402(5) 0.037(2) Uani 0.299(5) 1 d D U P I 2
C2_50 C 0.6944(7) 0.7376(9) 0.9712(6) 0.049(5) Uani 0.299(5) 1 d D U P I 2
F1_50 F 0.6807(12) 0.6912(9) 0.9589(9) 0.063(2) Uani 0.299(5) 1 d D U P I 2
F2_50 F 0.6915(9) 0.7519(10) 1.0073(7) 0.058(7) Uani 0.299(5) 1 d D U P I 2
F3_50 F 0.7404(7) 0.7651(10) 0.9772(8) 0.058(7) Uani 0.299(5) 1 d D U P I 2
C3_50 C 0.6849(7) 0.7936(7) 0.9470(7) 0.048(3) Uani 0.299(5) 1 d D U P I 2
F4_50 F 0.6533(8) 0.7954(9) 0.9217(7) 0.055(3) Uani 0.299(5) 1 d D U P I 2
F5_50 F 0.7203(8) 0.8084(9) 0.9334(8) 0.049(3) Uani 0.299(5) 1 d D U P I 2
F6_50 F 0.7020(10) 0.8253(10) 0.9856(6) 0.059(3) Uani 0.299(5) 1 d D U P I 2
C4_50 C 0.6119(7) 0.7194(8) 0.9447(7) 0.045(3) Uani 0.299(5) 1 d D U P I 2
F7_50 F 0.5777(9) 0.7093(11) 0.9117(7) 0.056(3) Uani 0.299(5) 1 d D U P I 2
F8_50 F 0.6130(9) 0.7502(9) 0.9768(7) 0.062(7) Uani 0.299(5) 1 d D U P I 2
F9_50 F 0.5974(10) 0.6766(9) 0.9468(9) 0.056(3) Uani 0.299(5) 1 d D U P I 2
O1_40 O 0.7262(3) 0.7176(4) 0.8697(4) 0.060(3) Uani 1 1 d D U . . .
C1_40 C 0.7737(4) 0.7416(4) 0.8841(4) 0.060(3) Uani 1 1 d D U . . .
C2_40 C 0.7930(5) 0.7466(5) 0.8506(4) 0.090(4) Uani 1 1 d D U . . .
F1_40 F 0.8395(4) 0.7606(5) 0.8640(5) 0.136(5) Uani 1 1 d D U . . .
F2_40 F 0.7926(5) 0.7797(5) 0.8396(5) 0.123(4) Uani 1 1 d D U . . .
F3_40 F 0.7700(6) 0.7045(5) 0.8187(4) 0.141(5) Uani 1 1 d D U . . .
C3_40 C 0.7947(5) 0.7930(5) 0.9167(4) 0.105(5) Uani 1 1 d D U . . .
F4_40 F 0.7754(5) 0.8138(4) 0.9026(4) 0.137(5) Uani 1 1 d D U . . .
F5_40 F 0.8408(4) 0.8237(4) 0.9283(4) 0.127(5) Uani 1 1 d D U . . .
F6_40 F 0.7859(5) 0.7889(5) 0.9507(4) 0.132(5) Uani 1 1 d D U . . .
C4_40 C 0.7882(5) 0.7142(5) 0.9034(4) 0.078(4) Uani 1 1 d D U . . .
F7_40 F 0.8351(4) 0.7429(4) 0.9275(4) 0.136(5) Uani 1 1 d D U . . .
F8_40 F 0.7632(4) 0.6996(4) 0.9262(4) 0.106(4) Uani 1 1 d D U . . .
F9_40 F 0.7788(4) 0.6742(4) 0.8740(3) 0.083(3) Uani 1 1 d D U . . .
O1_41 O 0.6283(3) 0.6496(3) 0.8266(3) 0.045(2) Uani 1 1 d D U . . .
C1_41 C 0.6087(4) 0.6021(4) 0.8135(3) 0.044(3) Uani 1 1 d D U . . .
C2_41 C 0.6005(5) 0.5802(5) 0.7687(4) 0.087(4) Uani 1 1 d D U . . .
F1_41 F 0.5597(5) 0.5761(4) 0.7473(4) 0.125(4) Uani 1 1 d D U . . .
F2_41 F 0.5940(5) 0.5371(4) 0.7562(3) 0.119(5) Uani 1 1 d D U . . .
F3_41 F 0.6366(5) 0.6090(4) 0.7603(4) 0.113(4) Uani 1 1 d D U . . .
C3_41 C 0.6411(4) 0.5915(4) 0.8385(4) 0.070(4) Uani 1 1 d D U . . .
F4_41 F 0.6160(3) 0.5461(3) 0.8353(3) 0.062(3) Uani 1 1 d D U . . .
F5_41 F 0.6759(4) 0.5980(5) 0.8225(4) 0.116(4) Uani 1 1 d D U . . .
F6_41 F 0.6620(3) 0.6222(3) 0.8779(3) 0.066(3) Uani 1 1 d D U . . .
C4_41 C 0.5605(4) 0.5755(5) 0.8176(4) 0.099(4) Uani 1 1 d D U . . .
F7_41 F 0.5342(4) 0.5265(4) 0.7929(4) 0.122(4) Uani 1 1 d D U . . .
F8_41 F 0.5352(4) 0.5924(5) 0.8054(5) 0.132(5) Uani 1 1 d D U . . .
F9_41 F 0.5713(5) 0.5844(5) 0.8576(4) 0.123(4) Uani 1 1 d D U . . .
Al10 Al 0.83650(13) 0.79951(14) 1.16702(12) 0.0261(9) Uani 1 1 d D U . . .
O1_44 O 0.8627(3) 0.7711(3) 1.1804(3) 0.034(2) Uani 1 1 d D U . . .
C1_44 C 0.8685(4) 0.7479(4) 1.2026(3) 0.043(3) Uani 1 1 d D U . . .
C2_44 C 0.8558(4) 0.7587(5) 1.2397(3) 0.060(3) Uani 1 1 d D U . . .
F1_44 F 0.8073(3) 0.7320(4) 1.2264(4) 0.095(3) Uani 1 1 d D U . . .
F2_44 F 0.8676(4) 0.8043(4) 1.2569(3) 0.077(3) Uani 1 1 d D U . . .
F3_44 F 0.8699(4) 0.7461(5) 1.2669(3) 0.093(4) Uani 1 1 d D U . . .
C3_44 C 0.9225(4) 0.7683(4) 1.2194(4) 0.063(3) Uani 1 1 d D U . . .
F4_44 F 0.9486(4) 0.8137(4) 1.2515(3) 0.094(3) Uani 1 1 d D U . . .
F5_44 F 0.9300(3) 0.7385(3) 1.2313(3) 0.069(3) Uani 1 1 d D U . . .
F6_44 F 0.9419(3) 0.7758(3) 1.1933(3) 0.067(3) Uani 1 1 d D U . . .
C4_44 C 0.8394(5) 0.6937(4) 1.1754(4) 0.075(4) Uani 1 1 d D U . . .
F7_44 F 0.8328(4) 0.6651(4) 1.1941(4) 0.088(3) Uani 1 1 d D U . . .
F8_44 F 0.8632(4) 0.6859(4) 1.1520(3) 0.097(3) Uani 1 1 d D U . . .
F9_44 F 0.7966(4) 0.6783(3) 1.1515(4) 0.121(5) Uani 1 1 d D U . . .
O1_45 O 0.8442(3) 0.8062(3) 1.1239(3) 0.040(2) Uani 1 1 d D U . . .
C1_45 C 0.8452(4) 0.7873(4) 1.0876(3) 0.045(3) Uani 1 1 d D U . . .
C2_45 C 0.7968(4) 0.7382(4) 1.0590(4) 0.067(4) Uani 1 1 d D U . . .
F1_45 F 0.7827(3) 0.7105(4) 1.0793(3) 0.077(3) Uani 1 1 d D U . . .
F2_45 F 0.7635(4) 0.7452(4) 1.0454(3) 0.093(3) Uani 1 1 d D U . . .
F3_45 F 0.8002(4) 0.7143(4) 1.0262(3) 0.094(3) Uani 1 1 d D U . . .
C3_45 C 0.8545(4) 0.8242(4) 1.0689(4) 0.065(3) Uani 1 1 d D U . . .
F4_45 F 0.8268(4) 0.8406(4) 1.0734(3) 0.086(3) Uani 1 1 d D U . . .
F5_45 F 0.8448(4) 0.8042(4) 1.0292(3) 0.089(3) Uani 1 1 d D U . . .
F6_45 F 0.9009(3) 0.8630(4) 1.0880(3) 0.080(3) Uani 1 1 d D U . . .
C4_45 C 0.8860(4) 0.7800(4) 1.0921(3) 0.048(3) Uani 1 1 d D U . . .
F7_45 F 0.8728(3) 0.7391(3) 1.0976(3) 0.060(2) Uani 1 1 d D U . . .
F8_45 F 0.9257(3) 0.8174(3) 1.1254(3) 0.061(2) Uani 1 1 d D U . . .
F9_45 F 0.8992(4) 0.7773(4) 1.0603(3) 0.073(3) Uani 1 1 d D U . . .
O1_46 O 0.7779(3) 0.7653(3) 1.1613(3) 0.035(2) Uani 1 1 d D U . . .
C1_46 C 0.7364(3) 0.7625(4) 1.1589(3) 0.039(3) Uani 1 1 d D U . . .
C2_46 C 0.7467(4) 0.8009(5) 1.1999(4) 0.072(4) Uani 1 1 d D U . . .
F1_46 F 0.7668(4) 0.8453(4) 1.1978(4) 0.091(3) Uani 1 1 d D U . . .
F2_46 F 0.7759(4) 0.8041(4) 1.2319(3) 0.082(3) Uani 1 1 d D U . . .
F3_46 F 0.7061(3) 0.7886(4) 1.2064(3) 0.077(3) Uani 1 1 d D U . . .
C3_46 C 0.6983(4) 0.7120(4) 1.1547(4) 0.078(4) Uani 1 1 d D U . . .
F4_46 F 0.7102(4) 0.7124(4) 1.1922(3) 0.088(3) Uani 1 1 d D U . . .
F5_46 F 0.6550(3) 0.7047(4) 1.1405(4) 0.113(4) Uani 1 1 d D U . . .
F6_46 F 0.6971(4) 0.6779(4) 1.1260(3) 0.084(3) Uani 1 1 d D U . . .
C4_46 C 0.7185(4) 0.7723(4) 1.1238(4) 0.062(3) Uani 1 1 d D U . . .
F7_46 F 0.6889(3) 0.7864(4) 1.1290(3) 0.069(3) Uani 1 1 d D U . . .
F8_46 F 0.6963(3) 0.7306(4) 1.0885(3) 0.078(3) Uani 1 1 d D U . . .
F9_46 F 0.7559(3) 0.8107(3) 1.1232(3) 0.069(3) Uani 1 1 d D U . . .
O1_47 O 0.8618(3) 0.8563(3) 1.2044(3) 0.042(2) Uani 1 1 d D U . . .
C1_47 C 0.8986(4) 0.9049(4) 1.2244(3) 0.049(3) Uani 1 1 d D U . . .
C2_47 C 0.8941(4) 0.9273(4) 1.2637(3) 0.061(3) Uani 1 1 d D U . . .
F1_47 F 0.8848(4) 0.8992(3) 1.2837(3) 0.078(3) Uani 1 1 d D U . . .
F2_47 F 0.8584(3) 0.9335(3) 1.2569(3) 0.071(3) Uani 1 1 d D U . . .
F3_47 F 0.9336(4) 0.9723(3) 1.2898(3) 0.089(3) Uani 1 1 d D U . . .
C3_47 C 0.8954(4) 0.9305(4) 1.1969(4) 0.061(3) Uani 1 1 d D U . . .
F4_47 F 0.9106(4) 0.9205(3) 1.1676(3) 0.093(4) Uani 1 1 d D U . . .
F5_47 F 0.8507(4) 0.9155(4) 1.1790(4) 0.093(3) Uani 1 1 d D U . . .
F6_47 F 0.9218(4) 0.9787(3) 1.2183(3) 0.085(3) Uani 1 1 d D U . . .
C4_47 C 0.9473(4) 0.9117(4) 1.2345(4) 0.083(4) Uani 1 1 d D U . . .
F7_47 F 0.9466(3) 0.8800(4) 1.2034(3) 0.098(4) Uani 1 1 d D U . . .
F8_47 F 0.9570(4) 0.9030(4) 1.2670(4) 0.112(4) Uani 1 1 d D U . . .
F9_47 F 0.9835(3) 0.9566(3) 1.2422(4) 0.117(4) Uani 1 1 d D U . . .
Al11 Al 0.57063(13) 0.44553(13) 0.94583(12) 0.0278(10) Uani 1 1 d D U . . .
O1_51 O 0.5615(3) 0.4127(3) 0.9743(3) 0.040(2) Uani 1 1 d D U . . .
C1_51 C 0.5351(4) 0.3901(4) 0.9937(3) 0.044(3) Uani 1 1 d D U . . .
C2_51 C 0.4824(4) 0.3495(4) 0.9640(3) 0.050(3) Uani 1 1 d D U . . .
F1_51 F 0.4574(3) 0.3682(3) 0.9552(3) 0.061(2) Uani 1 1 d D U . . .
F2_51 F 0.4799(3) 0.3243(3) 0.9279(3) 0.052(2) Uani 1 1 d D U . . .
F3_51 F 0.4591(3) 0.3181(3) 0.9777(3) 0.060(2) Uani 1 1 d D U . . .
C3_51 C 0.5585(4) 0.3674(4) 1.0112(4) 0.060(3) Uani 1 1 d D U . . .
F4_51 F 0.5493(3) 0.3285(3) 0.9814(3) 0.056(2) Uani 1 1 d D U . . .
F5_51 F 0.5416(4) 0.3522(4) 1.0377(3) 0.079(3) Uani 1 1 d D U . . .
F6_51 F 0.6059(3) 0.3985(3) 1.0300(3) 0.077(3) Uani 1 1 d D U . . .
C4_51 C 0.5356(4) 0.4269(4) 1.0289(3) 0.052(3) Uani 1 1 d D U . . .
F7_51 F 0.5005(3) 0.4049(3) 1.0412(3) 0.067(3) Uani 1 1 d D U . . .
F8_51 F 0.5772(3) 0.4542(4) 1.0614(3) 0.072(3) Uani 1 1 d D U . . .
F9_51 F 0.5297(3) 0.4575(3) 1.0164(3) 0.068(3) Uani 1 1 d D U . . .
O1_52 O 0.5942(3) 0.5066(3) 0.9728(3) 0.048(3) Uani 1 1 d D U . . .
C1_52 C 0.6330(4) 0.5525(3) 0.9981(4) 0.050(3) Uani 1 1 d D U . . .
C2_52 C 0.6560(4) 0.5555(4) 1.0398(4) 0.069(4) Uani 1 1 d D U . . .
F1_52 F 0.6298(3) 0.5564(4) 1.0623(3) 0.084(3) Uani 1 1 d D U . . .
F2_52 F 0.6583(3) 0.5167(3) 1.0343(3) 0.086(3) Uani 1 1 d D U . . .
F3_52 F 0.7011(3) 0.5973(4) 1.0609(4) 0.099(4) Uani 1 1 d D U . . .
C3_52 C 0.6691(4) 0.5684(4) 0.9782(4) 0.080(4) Uani 1 1 d D U . . .
F4_52 F 0.6954(3) 0.5500(3) 0.9821(4) 0.093(3) Uani 1 1 d D U . . .
F5_52 F 0.6999(4) 0.6171(3) 0.9942(4) 0.105(4) Uani 1 1 d D U . . .
F6_52 F 0.6462(4) 0.5532(3) 0.9376(3) 0.087(3) Uani 1 1 d D U . . .
C4_52 C 0.6153(4) 0.5862(4) 1.0044(4) 0.060(3) Uani 1 1 d D U . . .
F7_52 F 0.6487(3) 0.6300(3) 1.0360(3) 0.080(3) Uani 1 1 d D U . . .
F8_52 F 0.6070(4) 0.5939(4) 0.9704(3) 0.091(3) Uani 1 1 d D U . . .
F9_52 F 0.5748(3) 0.5667(3) 1.0106(3) 0.070(3) Uani 1 1 d D U . . .
O1_53 O 0.6098(3) 0.4419(3) 0.9257(3) 0.051(3) Uani 1 1 d D U . . .
C1_53 C 0.6242(4) 0.4140(4) 0.9084(3) 0.047(3) Uani 1 1 d D U . . .
C2_53 C 0.5799(4) 0.3634(4) 0.8752(4) 0.061(3) Uani 1 1 d D U . . .
F1_53 F 0.5607(4) 0.3668(4) 0.8416(3) 0.080(3) Uani 1 1 d D U . . .
F2_53 F 0.5445(3) 0.3445(3) 0.8884(3) 0.062(2) Uani 1 1 d D U . . .
F3_53 F 0.5898(3) 0.3313(3) 0.8622(3) 0.080(3) Uani 1 1 d D U . . .
C3_53 C 0.6533(4) 0.4080(4) 0.9409(4) 0.054(3) Uani 1 1 d D U . . .
F4_53 F 0.6232(3) 0.3739(3) 0.9508(3) 0.073(3) Uani 1 1 d D U . . .
F5_53 F 0.6785(3) 0.3932(4) 0.9265(3) 0.072(3) Uani 1 1 d D U . . .
F6_53 F 0.6827(3) 0.4500(3) 0.9747(3) 0.069(3) Uani 1 1 d D U . . .
C4_53 C 0.6555(4) 0.4403(4) 0.8873(3) 0.050(3) Uani 1 1 d D U . . .
F7_53 F 0.6611(3) 0.4107(3) 0.8598(3) 0.062(2) Uani 1 1 d D U . . .
F8_53 F 0.6996(3) 0.4778(3) 0.9155(3) 0.057(2) Uani 1 1 d D U . . .
F9_53 F 0.6383(3) 0.4589(3) 0.8678(3) 0.066(3) Uani 1 1 d D U . . .
O1_54 O 0.5164(3) 0.4190(3) 0.9068(3) 0.035(2) Uani 1 1 d D U . . .
C1_54 C 0.4869(4) 0.4247(4) 0.8823(3) 0.040(3) Uani 1 1 d D U . . .
C2_54 C 0.4589(4) 0.4383(4) 0.9045(3) 0.045(3) Uani 1 1 d D U . . .
F1_54 F 0.4410(3) 0.4598(3) 0.8887(3) 0.057(2) Uani 1 1 d D U . . .
F2_54 F 0.4223(3) 0.3988(3) 0.9040(3) 0.060(2) Uani 1 1 d D U . . .
F3_54 F 0.4876(3) 0.4703(3) 0.9433(2) 0.058(2) Uani 1 1 d D U . . .
C3_54 C 0.5146(4) 0.4649(4) 0.8693(4) 0.054(3) Uani 1 1 d D U . . .
F4_54 F 0.5359(3) 0.5104(3) 0.8990(3) 0.068(3) Uani 1 1 d D U . . .
F5_54 F 0.4869(3) 0.4618(3) 0.8363(3) 0.064(3) Uani 1 1 d D U . . .
F6_54 F 0.5496(3) 0.4635(4) 0.8606(3) 0.073(3) Uani 1 1 d D U . . .
C4_54 C 0.4508(4) 0.3764(4) 0.8431(3) 0.049(3) Uani 1 1 d D U . . .
F7_54 F 0.4127(3) 0.3745(3) 0.8229(3) 0.059(2) Uani 1 1 d D U . . .
F8_54 F 0.4733(3) 0.3711(4) 0.8183(3) 0.075(3) Uani 1 1 d D U . . .
F9_54 F 0.4347(3) 0.3392(3) 0.8524(3) 0.055(2) Uani 1 1 d D U . . .
Al12 Al 0.35007(13) -0.19478(14) 0.14236(12) 0.0220(9) Uani 1 1 d D U . . .
O1_55 O 0.3150(3) -0.2519(3) 0.1016(3) 0.036(2) Uani 1 1 d D U . . .
F1_55 F 0.2479(3) -0.2572(3) 0.0466(3) 0.064(3) Uani 1 1 d D U . . .
C2_55 C 0.2777(4) -0.2653(4) 0.0340(3) 0.053(3) Uani 1 1 d D U . . .
F2_55 F 0.3096(3) -0.2241(3) 0.0336(2) 0.052(2) Uani 1 1 d D U . . .
C3_55 C 0.3455(4) -0.2745(4) 0.0546(3) 0.039(3) Uani 1 1 d D U . . .
F3_55 F 0.2524(4) -0.2997(3) -0.0044(3) 0.079(3) Uani 1 1 d D U . . .
C4_55 C 0.2645(4) -0.3336(4) 0.0523(3) 0.044(3) Uani 1 1 d D U . . .
F4_55 F 0.3826(3) -0.2271(3) 0.0719(2) 0.044(2) Uani 1 1 d D U . . .
F5_55 F 0.3372(3) -0.2926(3) 0.0146(2) 0.065(3) Uani 1 1 d D U . . .
F6_55 F 0.3608(3) -0.2964(3) 0.0717(3) 0.056(2) Uani 1 1 d D U . . .
F7_55 F 0.2211(3) -0.3427(3) 0.0481(3) 0.063(3) Uani 1 1 d D U . . .
F8_55 F 0.2593(3) -0.3649(3) 0.0173(3) 0.063(3) Uani 1 1 d D U . . .
F9_55 F 0.2770(3) -0.3453(3) 0.0816(3) 0.051(2) Uani 1 1 d D U . . .
C1_55 C 0.3012(3) -0.2805(3) 0.0620(3) 0.031(2) Uani 1 1 d D U . . .
O1_56 O 0.3493(3) -0.1542(3) 0.1249(3) 0.036(2) Uani 1 1 d D U . . .
C1_56 C 0.3697(4) -0.1093(4) 0.1271(3) 0.029(2) Uani 1 1 d D U . . .
C2_56 C 0.3297(4) -0.1026(4) 0.1119(4) 0.051(3) Uani 1 1 d D U . . .
F1_56 F 0.3139(3) -0.0933(3) 0.1421(3) 0.073(3) Uani 1 1 d D U . . .
F2_56 F 0.3434(3) -0.0656(3) 0.1015(3) 0.069(3) Uani 1 1 d D U . . .
F3_56 F 0.2921(3) -0.1422(3) 0.0800(3) 0.063(3) Uani 1 1 d D U . . .
C3_56 C 0.4034(4) -0.0694(4) 0.1718(3) 0.063(3) Uani 1 1 d D U . . .
F4_56 F 0.3841(4) -0.0844(3) 0.1976(3) 0.068(3) Uani 1 1 d D U . . .
F5_56 F 0.4099(4) -0.0268(3) 0.1787(3) 0.071(3) Uani 1 1 d D U . . .
F6_56 F 0.4468(3) -0.0630(3) 0.1819(3) 0.075(3) Uani 1 1 d D U . . .
C4_56 C 0.4003(4) -0.1011(4) 0.1016(4) 0.065(3) Uani 1 1 d D U . . .
F7_56 F 0.4309(3) -0.0540(3) 0.1110(3) 0.074(3) Uani 1 1 d D U . . .
F8_56 F 0.4248(3) -0.1204(3) 0.1051(3) 0.067(3) Uani 1 1 d D U . . .
F9_56 F 0.3703(4) -0.1235(4) 0.0617(3) 0.094(3) Uani 1 1 d D U . . .
O1_57 O 0.4085(3) -0.1754(3) 0.1643(3) 0.033(2) Uani 1 1 d D U . . .
C1_57 C 0.4427(3) -0.1737(4) 0.1908(3) 0.028(2) Uani 1 1 d D U . . .
C2_57 C 0.4716(4) -0.1255(4) 0.2296(3) 0.039(3) Uani 1 1 d D U . . .
F1_57 F 0.4430(3) -0.1163(3) 0.2434(3) 0.050(2) Uani 1 1 d D U . . .
F2_57 F 0.5024(3) -0.0889(3) 0.2223(3) 0.059(2) Uani 1 1 d D U . . .
F3_57 F 0.4977(3) -0.1269(3) 0.2608(3) 0.063(3) Uani 1 1 d D U . . .
C3_57 C 0.4776(3) -0.1747(4) 0.1706(3) 0.039(3) Uani 1 1 d D U . . .
F4_57 F 0.4868(2) -0.1475(3) 0.1496(2) 0.0382(19) Uani 1 1 d D U . . .
F5_57 F 0.5213(3) -0.1564(3) 0.1982(3) 0.060(2) Uani 1 1 d D U . . .
F6_57 F 0.4588(3) -0.2206(3) 0.1442(3) 0.059(2) Uani 1 1 d D U . . .
C4_57 C 0.4218(4) -0.2169(4) 0.2016(3) 0.048(3) Uani 1 1 d D U . . .
F7_57 F 0.4542(3) -0.2254(3) 0.2159(3) 0.063(3) Uani 1 1 d D U . . .
F8_57 F 0.4043(3) -0.2084(3) 0.2309(2) 0.048(2) Uani 1 1 d D U . . .
F9_57 F 0.3851(3) -0.2589(3) 0.1679(3) 0.056(2) Uani 1 1 d D U . . .
O1_58 O 0.3272(3) -0.1990(3) 0.1795(3) 0.035(2) Uani 1 1 d D U . . .
C1_58 C 0.2887(4) -0.2145(4) 0.1890(3) 0.033(2) Uani 1 1 d D U . . .
C2_58 C 0.2605(4) -0.1938(5) 0.1757(4) 0.054(3) Uani 1 1 d D U . . .
F1_58 F 0.2551(3) -0.1970(4) 0.1379(3) 0.067(3) Uani 1 1 d D U . . .
F2_58 F 0.2842(4) -0.1469(4) 0.2008(3) 0.081(3) Uani 1 1 d D U . . .
F3_58 F 0.2161(3) -0.2171(4) 0.1764(3) 0.083(3) Uani 1 1 d D U . . .
C3_58 C 0.3061(4) -0.1980(4) 0.2355(3) 0.041(3) Uani 1 1 d D U . . .
F4_58 F 0.3460(3) -0.1523(3) 0.2551(3) 0.062(3) Uani 1 1 d D U . . .
F5_58 F 0.2746(3) -0.1985(4) 0.2512(3) 0.060(3) Uani 1 1 d D U . . .
F6_58 F 0.3180(3) -0.2257(3) 0.2457(2) 0.041(2) Uani 1 1 d D U . . .
C4_58 C 0.2545(4) -0.2712(4) 0.1672(3) 0.054(3) Uani 1 1 d D U . . .
F7_58 F 0.2285(3) -0.2872(3) 0.1274(3) 0.071(3) Uani 1 1 d D U . . .
F8_58 F 0.2799(3) -0.2904(3) 0.1674(3) 0.062(2) Uani 1 1 d D U . . .
F9_58 F 0.2242(4) -0.2899(4) 0.1844(3) 0.086(3) Uani 1 1 d D U . . .
Al13 Al 0.50960(13) 0.14626(14) 0.56662(12) 0.0260(9) Uani 1 1 d D U . . .
O1_59 O 0.4497(3) 0.1197(3) 0.5397(3) 0.032(2) Uani 1 1 d D U . . .
C1_59 C 0.4063(3) 0.0769(4) 0.5126(3) 0.045(3) Uani 1 1 d D U . . .
C2_59 C 0.3696(4) 0.0893(4) 0.5034(4) 0.055(3) Uani 1 1 d D U . . .
F1_59 F 0.3547(3) 0.0955(3) 0.5343(3) 0.063(2) Uani 1 1 d D U . . .
F2_59 F 0.3880(3) 0.1302(3) 0.4987(3) 0.060(2) Uani 1 1 d D U . . .
F3_59 F 0.3304(3) 0.0544(3) 0.4686(3) 0.072(3) Uani 1 1 d D U . . .
C3_59 C 0.4115(4) 0.0559(4) 0.4725(3) 0.050(3) Uani 1 1 d D U . . .
F4_59 F 0.4146(3) 0.0825(3) 0.4511(3) 0.072(3) Uani 1 1 d D U . . .
F5_59 F 0.3745(3) 0.0104(3) 0.4487(3) 0.077(3) Uani 1 1 d D U . . .
F6_59 F 0.4515(3) 0.0570(3) 0.4804(3) 0.060(2) Uani 1 1 d D U . . .
C4_59 C 0.3898(4) 0.0394(4) 0.5303(3) 0.050(3) Uani 1 1 d D U . . .
F7_59 F 0.3979(3) 0.0611(3) 0.5698(3) 0.053(2) Uani 1 1 d D U . . .
F8_59 F 0.3429(3) 0.0044(3) 0.5099(3) 0.063(3) Uani 1 1 d D U . . .
F9_59 F 0.4137(3) 0.0186(3) 0.5285(3) 0.066(3) Uani 1 1 d D U . . .
O1_60 O 0.5451(3) 0.1534(3) 0.5389(3) 0.040(2) Uani 1 1 d D U . . .
C1_60 C 0.5695(4) 0.1777(4) 0.5199(3) 0.039(3) Uani 1 1 d D U . . .
C2_60 C 0.5582(4) 0.2141(4) 0.5145(3) 0.039(3) Uani 1 1 d D U . . .
F1_60 F 0.5823(3) 0.2553(3) 0.5488(2) 0.049(2) Uani 1 1 d D U . . .
F2_60 F 0.5110(3) 0.1942(3) 0.5055(2) 0.052(2) Uani 1 1 d D U . . .
F3_60 F 0.5675(3) 0.2256(3) 0.4845(3) 0.058(2) Uani 1 1 d D U . . .
C3_60 C 0.5568(4) 0.1412(4) 0.4771(3) 0.053(3) Uani 1 1 d D U . . .
F4_60 F 0.5135(3) 0.1244(3) 0.4510(3) 0.072(3) Uani 1 1 d D U . . .
F5_60 F 0.5883(3) 0.1603(3) 0.4608(3) 0.071(3) Uani 1 1 d D U . . .
F6_60 F 0.5550(3) 0.1027(3) 0.4788(3) 0.065(3) Uani 1 1 d D U . . .
C4_60 C 0.6248(3) 0.2065(4) 0.5454(3) 0.044(3) Uani 1 1 d D U . . .
F7_60 F 0.6510(3) 0.2390(3) 0.5331(3) 0.059(2) Uani 1 1 d D U . . .
F8_60 F 0.6384(3) 0.1761(3) 0.5416(3) 0.059(2) Uani 1 1 d D U . . .
F9_60 F 0.6353(3) 0.2296(3) 0.5847(2) 0.053(2) Uani 1 1 d D U . . .
O1_61 O 0.5332(3) 0.2052(3) 0.6012(3) 0.040(2) Uani 1 1 d D U . . .
C1_61 C 0.5266(4) 0.2350(4) 0.6280(3) 0.042(3) Uani 1 1 d D U . . .
C2_61 C 0.5719(4) 0.2872(4) 0.6452(3) 0.046(3) Uani 1 1 d D U . . .
F1_61 F 0.5719(3) 0.3034(3) 0.6162(2) 0.047(2) Uani 1 1 d D U . . .
F2_61 F 0.6123(3) 0.2891(3) 0.6560(3) 0.053(2) Uani 1 1 d D U . . .
F3_61 F 0.5744(3) 0.3190(3) 0.6772(3) 0.055(2) Uani 1 1 d D U . . .
C3_61 C 0.5205(4) 0.2212(4) 0.6633(3) 0.042(3) Uani 1 1 d D U . . .
F4_61 F 0.5619(3) 0.2343(3) 0.6894(3) 0.052(2) Uani 1 1 d D U . . .
F5_61 F 0.5038(3) 0.2430(3) 0.6853(3) 0.061(2) Uani 1 1 d D U . . .
F6_61 F 0.4895(3) 0.1729(3) 0.6496(3) 0.055(2) Uani 1 1 d D U . . .
C4_61 C 0.4822(4) 0.2332(4) 0.6057(3) 0.049(3) Uani 1 1 d D U . . .
F7_61 F 0.4847(3) 0.2732(3) 0.6273(3) 0.055(2) Uani 1 1 d D U . . .
F8_61 F 0.4415(3) 0.1940(3) 0.6012(3) 0.057(2) Uani 1 1 d D U . . .
F9_61 F 0.4798(3) 0.2313(3) 0.5693(3) 0.054(2) Uani 1 1 d D U . . .
O1_62 O 0.5130(3) 0.1107(3) 0.5893(3) 0.038(2) Uani 1 1 d D U . . .
C1_62 C 0.5390(4) 0.0985(4) 0.6099(3) 0.042(3) Uani 1 1 d D U . . .
C2_62 C 0.5933(4) 0.1382(4) 0.6270(4) 0.052(3) Uani 1 1 d D U . . .
F1_62 F 0.6193(3) 0.1354(3) 0.6571(3) 0.049(2) Uani 1 1 d D U . . .
F2_62 F 0.6089(3) 0.1324(4) 0.5959(3) 0.074(3) Uani 1 1 d D U . . .
F3_62 F 0.6037(3) 0.1831(3) 0.6407(3) 0.051(2) Uani 1 1 d D U . . .
C3_62 C 0.5253(4) 0.0932(4) 0.6462(3) 0.051(3) Uani 1 1 d D U . . .
F4_62 F 0.5487(4) 0.1386(3) 0.6774(3) 0.070(3) Uani 1 1 d D U . . .
F5_62 F 0.5366(3) 0.0662(3) 0.6592(3) 0.066(3) Uani 1 1 d D U . . .
F6_62 F 0.4786(3) 0.0714(3) 0.6360(3) 0.050(2) Uani 1 1 d D U . . .
C4_62 C 0.5280(4) 0.0498(4) 0.5806(4) 0.056(3) Uani 1 1 d D U . . .
F7_62 F 0.5616(3) 0.0426(3) 0.5944(3) 0.062(3) Uani 1 1 d D U . . .
F8_62 F 0.4843(3) 0.0128(3) 0.5761(3) 0.069(3) Uani 1 1 d D U . . .
F9_62 F 0.5255(3) 0.0483(3) 0.5434(3) 0.062(2) Uani 1 1 d D U . . .
Al14 Al 0.62842(13) 0.16714(13) 0.33069(11) 0.0205(9) Uani 1 1 d D U . . .
O1_63 O 0.6416(3) 0.1488(3) 0.2889(2) 0.031(2) Uani 1 1 d D U . . .
C1_63 C 0.6664(4) 0.1634(4) 0.2657(3) 0.033(2) Uani 1 1 d D U . . .
C2_63 C 0.6543(4) 0.1941(4) 0.2493(3) 0.046(3) Uani 1 1 d D U . . .
F1_63 F 0.6819(3) 0.2149(3) 0.2314(3) 0.068(3) Uani 1 1 d D U . . .
F2_63 F 0.6575(4) 0.2283(3) 0.2795(3) 0.071(3) Uani 1 1 d D U . . .
F3_63 F 0.6087(3) 0.1672(4) 0.2223(3) 0.075(3) Uani 1 1 d D U . . .
C3_63 C 0.6497(4) 0.1170(4) 0.2287(3) 0.043(3) Uani 1 1 d D U . . .
F4_63 F 0.6016(3) 0.0869(3) 0.2113(3) 0.073(3) Uani 1 1 d D U . . .
F5_63 F 0.6653(4) 0.0923(3) 0.2407(3) 0.074(3) Uani 1 1 d D U . . .
F6_63 F 0.6648(3) 0.1255(3) 0.1998(3) 0.070(3) Uani 1 1 d D U . . .
C4_63 C 0.7210(4) 0.1929(4) 0.2898(3) 0.049(3) Uani 1 1 d D U . . .
F7_63 F 0.7376(3) 0.2384(3) 0.3151(3) 0.071(3) Uani 1 1 d D U . . .
F8_63 F 0.7309(3) 0.1729(4) 0.3120(4) 0.093(4) Uani 1 1 d D U . . .
F9_63 F 0.7455(3) 0.1976(3) 0.2660(3) 0.062(3) Uani 1 1 d D U . . .
O1_64 O 0.6804(3) 0.2184(3) 0.3687(2) 0.0262(19) Uani 1 1 d D U . . .
C1_64 C 0.7027(3) 0.2583(3) 0.4054(3) 0.030(2) Uani 1 1 d D U . . .
C2_64 C 0.6850(4) 0.2437(4) 0.4373(3) 0.048(3) Uani 1 1 d D U . . .
F1_64 F 0.7027(4) 0.2209(3) 0.4501(3) 0.069(3) Uani 1 1 d D U . . .
F2_64 F 0.6365(3) 0.2120(3) 0.4203(2) 0.056(2) Uani 1 1 d D U . . .
F3_64 F 0.6949(3) 0.2812(3) 0.4695(2) 0.064(3) Uani 1 1 d D U . . .
C3_64 C 0.6924(4) 0.2949(3) 0.3994(3) 0.032(3) Uani 1 1 d D U . . .
F4_64 F 0.7242(3) 0.3399(3) 0.4299(2) 0.045(2) Uani 1 1 d D U . . .
F5_64 F 0.6945(3) 0.2983(3) 0.3646(2) 0.044(2) Uani 1 1 d D U . . .
F6_64 F 0.6485(3) 0.2817(3) 0.3971(2) 0.045(2) Uani 1 1 d D U . . .
C4_64 C 0.7574(3) 0.2823(4) 0.4197(3) 0.044(3) Uani 1 1 d D U . . .
F7_64 F 0.7817(3) 0.3136(3) 0.4593(2) 0.053(2) Uani 1 1 d D U . . .
F8_64 F 0.7756(3) 0.3053(3) 0.3977(3) 0.049(2) Uani 1 1 d D U . . .
F9_64 F 0.7661(3) 0.2480(3) 0.4148(3) 0.059(3) Uani 1 1 d D U . . .
O1_65 O 0.6038(3) 0.1183(3) 0.3423(3) 0.025(2) Uani 1 1 d D U . . .
C1_65 C 0.6041(3) 0.0803(3) 0.3452(3) 0.027(2) Uani 1 1 d D U . . .
C2_65 C 0.6547(3) 0.0905(4) 0.3535(3) 0.041(3) Uani 1 1 d D U . . .
F1_65 F 0.6893(3) 0.1384(3) 0.3789(3) 0.059(3) Uani 1 1 d D U . . .
F2_65 F 0.6632(3) 0.0810(3) 0.3194(3) 0.056(2) Uani 1 1 d D U . . .
F3_65 F 0.6626(3) 0.0649(3) 0.3714(3) 0.045(2) Uani 1 1 d D U . . .
C3_65 C 0.5674(3) 0.0330(3) 0.3060(3) 0.035(3) Uani 1 1 d D U . . .
F5_65 F 0.5732(3) -0.0025(3) 0.3049(3) 0.051(2) Uani 1 1 d D U . . .
F6_65 F 0.5222(3) 0.0162(3) 0.3023(3) 0.051(2) Uani 1 1 d D U . . .
F7_65 F 0.6272(3) 0.1092(3) 0.4173(3) 0.065(3) Uani 1 1 d D U . . .
C4_65 C 0.5914(4) 0.0741(4) 0.3819(3) 0.042(3) Uani 1 1 d D U . . .
F8_65 F 0.5808(3) 0.0318(3) 0.3825(3) 0.061(2) Uani 1 1 d D U . . .
F9_65 F 0.5530(3) 0.0752(3) 0.3810(3) 0.054(2) Uani 1 1 d D U . . .
F4_65 F 0.5709(3) 0.0406(3) 0.2728(2) 0.050(2) Uani 1 1 d D U . . .
O1_66 O 0.5871(3) 0.1808(3) 0.3195(3) 0.030(2) Uani 1 1 d D U . . .
C1_66 C 0.5409(3) 0.1657(4) 0.3021(3) 0.033(2) Uani 1 1 d D U . . .
C2_66 C 0.5123(3) 0.1190(4) 0.2620(3) 0.035(3) Uani 1 1 d D U . . .
F1_66 F 0.5201(3) 0.1279(3) 0.2306(3) 0.057(2) Uani 1 1 d D U . . .
F2_66 F 0.5223(3) 0.0880(3) 0.2648(3) 0.061(3) Uani 1 1 d D U . . .
F3_66 F 0.4640(2) 0.0953(3) 0.2512(3) 0.049(2) Uani 1 1 d D U . . .
C3_66 C 0.5161(4) 0.1563(4) 0.3321(3) 0.052(3) Uani 1 1 d D U . . .
F4_66 F 0.5055(3) 0.1144(3) 0.3339(3) 0.062(2) Uani 1 1 d D U . . .
F5_66 F 0.4751(3) 0.1530(4) 0.3228(3) 0.069(3) Uani 1 1 d D U . . .
F6_66 F 0.5454(3) 0.1910(3) 0.3705(3) 0.074(3) Uani 1 1 d D U . . .
C4_66 C 0.5405(4) 0.2066(4) 0.2941(4) 0.050(3) Uani 1 1 d D U . . .
F7_66 F 0.4972(3) 0.1917(3) 0.2692(3) 0.053(2) Uani 1 1 d D U . . .
F8_66 F 0.5533(3) 0.2430(3) 0.3287(3) 0.068(3) Uani 1 1 d D U . . .
F9_66 F 0.5713(3) 0.2250(3) 0.2776(3) 0.068(3) Uani 1 1 d D U . . .
Al15 Al 0.00504(13) -0.62755(13) 0.43480(11) 0.0201(9) Uani 1 1 d D U . . .
O1_67 O -0.0038(3) -0.6670(3) 0.3889(2) 0.027(2) Uani 1 1 d D U . . .
C1_67 C -0.0158(3) -0.7117(4) 0.3644(3) 0.028(2) Uani 1 1 d D U . . .
C2_67 C -0.0615(3) -0.7531(3) 0.3651(3) 0.031(3) Uani 1 1 d D U . . .
F1_67 F -0.0943(2) -0.7436(3) 0.3637(2) 0.0335(18) Uani 1 1 d D U . . .
F2_67 F -0.0517(3) -0.7594(3) 0.3989(2) 0.0358(19) Uani 1 1 d D U . . .
F3_67 F -0.0828(3) -0.7964(2) 0.3329(2) 0.0342(19) Uani 1 1 d D U . . .
C3_67 C 0.0260(3) -0.7164(4) 0.3789(3) 0.034(3) Uani 1 1 d D U . . .
F4_67 F 0.0435(3) -0.7010(3) 0.4191(2) 0.043(2) Uani 1 1 d D U . . .
F5_67 F 0.0126(3) -0.7627(3) 0.3625(2) 0.042(2) Uani 1 1 d D U . . .
F6_67 F 0.0622(2) -0.6893(3) 0.3690(2) 0.0381(19) Uani 1 1 d D U . . .
C4_67 C -0.0254(4) -0.7168(4) 0.3204(3) 0.032(3) Uani 1 1 d D U . . .
F7_67 F -0.0692(3) -0.7274(3) 0.3025(2) 0.043(2) Uani 1 1 d D U . . .
F8_67 F -0.0232(3) -0.7516(3) 0.2961(2) 0.039(2) Uani 1 1 d D U . . .
F9_67 F 0.0062(2) -0.6754(2) 0.3194(2) 0.0331(18) Uani 1 1 d D U . . .
O1_68 O -0.0317(3) -0.6630(3) 0.4534(2) 0.027(2) Uani 1 1 d D U . . .
C1_68 C -0.0460(3) -0.6655(4) 0.4848(3) 0.030(2) Uani 1 1 d D U . . .
C2_68 C -0.0099(4) -0.6185(4) 0.5245(3) 0.040(3) Uani 1 1 d D U . . .
F1_68 F 0.0043(3) -0.5790(3) 0.5172(2) 0.045(2) Uani 1 1 d D U . . .
F2_68 F 0.0302(3) -0.6149(3) 0.5416(2) 0.045(2) Uani 1 1 d D U . . .
F3_68 F -0.0283(3) -0.6135(3) 0.5529(3) 0.055(2) Uani 1 1 d D U . . .
C3_68 C -0.0504(4) -0.7089(4) 0.4921(3) 0.035(3) Uani 1 1 d D U . . .
F4_68 F -0.0129(3) -0.7101(3) 0.4898(2) 0.039(2) Uani 1 1 d D U . . .
F5_68 F -0.0513(3) -0.7059(3) 0.5284(2) 0.043(2) Uani 1 1 d D U . . .
F6_68 F -0.0896(3) -0.7514(2) 0.4631(2) 0.0371(19) Uani 1 1 d D U . . .
C4_68 C -0.0958(4) -0.6741(4) 0.4730(3) 0.043(3) Uani 1 1 d D U . . .
F7_68 F -0.1182(3) -0.6894(3) 0.4971(3) 0.047(2) Uani 1 1 d D U . . .
F8_68 F -0.1247(3) -0.7073(3) 0.4343(2) 0.044(2) Uani 1 1 d D U . . .
F9_68 F -0.0924(3) -0.6334(3) 0.4760(3) 0.050(2) Uani 1 1 d D U . . .
O1_69 O 0.0636(3) -0.5946(3) 0.4695(2) 0.030(2) Uani 1 1 d D U . . .
C1_69 C 0.1105(3) -0.5578(4) 0.4843(3) 0.038(3) Uani 1 1 d D U . . .
C2_69 C 0.1389(4) -0.5615(4) 0.5194(4) 0.065(4) Uani 1 1 d D U . . .
F1_69 F 0.1225(3) -0.6081(3) 0.5103(3) 0.088(3) Uani 1 1 d D U . . .
F2_69 F 0.1311(4) -0.5453(4) 0.5533(3) 0.106(4) Uani 1 1 d D U . . .
F3_69 F 0.1860(3) -0.5355(4) 0.5292(3) 0.077(3) Uani 1 1 d D U . . .
C3_69 C 0.1179(4) -0.5080(4) 0.5002(4) 0.066(4) Uani 1 1 d D U . . .
F4_69 F 0.0912(4) -0.5060(4) 0.5200(4) 0.098(4) Uani 1 1 d D U . . .
F5_69 F 0.1639(3) -0.4712(3) 0.5248(3) 0.068(3) Uani 1 1 d D U . . .
F6_69 F 0.1051(4) -0.4988(4) 0.4680(3) 0.090(3) Uani 1 1 d D U . . .
C4_69 C 0.1303(4) -0.5611(4) 0.4505(4) 0.065(4) Uani 1 1 d D U . . .
F7_69 F 0.1725(3) -0.5200(3) 0.4603(3) 0.061(3) Uani 1 1 d D U . . .
F8_69 F 0.0997(3) -0.5722(3) 0.4156(3) 0.074(3) Uani 1 1 d D U . . .
F9_69 F 0.1368(4) -0.5979(3) 0.4442(4) 0.093(3) Uani 1 1 d D U . . .
O1_70 O -0.0066(3) -0.5874(3) 0.4258(3) 0.035(2) Uani 1 1 d D U . . .
C1_70 C -0.0328(4) -0.5803(4) 0.3994(3) 0.041(3) Uani 1 1 d D U . . .
C2_70 C -0.0262(4) -0.5323(4) 0.4232(3) 0.061(3) Uani 1 1 d D U . . .
F1_70 F -0.0241(4) -0.5238(4) 0.4596(3) 0.089(3) Uani 1 1 d D U . . .
F2_70 F 0.0191(4) -0.4949(4) 0.4294(4) 0.112(4) Uani 1 1 d D U . . .
F3_70 F -0.0555(3) -0.5244(3) 0.4028(2) 0.045(2) Uani 1 1 d D U . . .
C3_70 C -0.0188(4) -0.5804(5) 0.3630(4) 0.069(3) Uani 1 1 d D U . . .
F4_70 F 0.0273(3) -0.5618(4) 0.3729(3) 0.079(3) Uani 1 1 d D U . . .
F5_70 F -0.0264(4) -0.5544(3) 0.3454(3) 0.061(3) Uani 1 1 d D U . . .
F6_70 F -0.0447(4) -0.6299(4) 0.3353(3) 0.085(3) Uani 1 1 d D U . . .
C4_70 C -0.0873(4) -0.6200(4) 0.3825(4) 0.064(3) Uani 1 1 d D U . . .
F7_70 F -0.1109(3) -0.6227(3) 0.3474(2) 0.051(2) Uani 1 1 d D U . . .
F8_70 F -0.1059(4) -0.6100(5) 0.4108(3) 0.100(4) Uani 1 1 d D U . . .
F9_70 F -0.0966(3) -0.6630(3) 0.3760(3) 0.051(2) Uani 1 1 d D U . . .
Al16 Al 0.43305(13) 0.57106(14) 0.55117(12) 0.0305(10) Uani 1 1 d D U . . .
O1_71 O 0.3841(3) 0.5693(4) 0.5579(3) 0.055(3) Uani 1 1 d D U . . .
C1_71 C 0.3588(4) 0.5875(4) 0.5632(3) 0.048(3) Uani 1 1 d D U . . .
C2_71 C 0.3736(4) 0.6171(4) 0.6094(3) 0.056(3) Uani 1 1 d D U . . .
F1_71 F 0.4224(3) 0.6474(3) 0.6282(3) 0.072(3) Uani 1 1 d D U . . .
F2_71 F 0.3578(3) 0.5882(3) 0.6288(3) 0.057(2) Uani 1 1 d D U . . .
F3_71 F 0.3562(3) 0.6445(3) 0.6153(3) 0.066(3) Uani 1 1 d D U . . .
C3_71 C 0.3049(4) 0.5451(4) 0.5457(4) 0.056(3) Uani 1 1 d D U . . .
F4_71 F 0.2991(3) 0.5110(3) 0.5584(3) 0.070(3) Uani 1 1 d D U . . .
F5_71 F 0.2776(3) 0.5589(3) 0.5572(3) 0.074(3) Uani 1 1 d D U . . .
F6_71 F 0.2860(3) 0.5235(3) 0.5048(3) 0.070(3) Uani 1 1 d D U . . .
C4_71 C 0.3629(4) 0.6196(4) 0.5408(4) 0.052(3) Uani 1 1 d D U . . .
F7_71 F 0.3622(3) 0.5992(3) 0.5033(3) 0.065(2) Uani 1 1 d D U . . .
F8_71 F 0.3284(3) 0.6266(4) 0.5342(3) 0.072(3) Uani 1 1 d D U . . .
F9_71 F 0.4047(3) 0.6635(3) 0.5612(3) 0.077(3) Uani 1 1 d D U . . .
O1_72 O 0.4559(3) 0.6108(3) 0.5295(3) 0.042(2) Uani 1 1 d D U . . .
C1_72 C 0.4945(4) 0.6419(4) 0.5242(3) 0.046(3) Uani 1 1 d D U . . .
C2_72 C 0.5200(4) 0.6183(4) 0.5102(4) 0.058(3) Uani 1 1 d D U . . .
F1_72 F 0.4950(3) 0.5848(4) 0.4712(3) 0.074(3) Uani 1 1 d D U . . .
F2_72 F 0.5643(3) 0.6504(3) 0.5146(3) 0.068(3) Uani 1 1 d D U . . .
F3_72 F 0.5234(3) 0.5946(3) 0.5324(3) 0.066(3) Uani 1 1 d D U . . .
C3_72 C 0.4767(4) 0.6560(4) 0.4916(3) 0.056(3) Uani 1 1 d D U . . .
F4_72 F 0.4365(3) 0.6161(3) 0.4593(2) 0.054(2) Uani 1 1 d D U . . .
F5_72 F 0.5092(3) 0.6767(3) 0.4766(3) 0.073(3) Uani 1 1 d D U . . .
F6_72 F 0.4654(3) 0.6872(3) 0.5066(3) 0.067(3) Uani 1 1 d D U . . .
C4_72 C 0.5309(4) 0.6883(4) 0.5643(3) 0.052(3) Uani 1 1 d D U . . .
F7_72 F 0.5628(3) 0.7254(3) 0.5579(3) 0.069(3) Uani 1 1 d D U . . .
F8_72 F 0.5563(3) 0.6822(3) 0.5911(3) 0.055(2) Uani 1 1 d D U . . .
F9_72 F 0.5095(3) 0.7052(3) 0.5838(3) 0.070(3) Uani 1 1 d D U . . .
O1_73 O 0.4129(3) 0.5134(3) 0.5204(3) 0.050(3) Uani 1 1 d D U . . .
C1_73 C 0.3813(4) 0.4699(4) 0.4845(3) 0.047(3) Uani 1 1 d D U . . .
C2_73 C 0.3686(4) 0.4801(4) 0.4479(3) 0.059(3) Uani 1 1 d D U . . .
F1_73 F 0.3305(3) 0.4397(3) 0.4150(3) 0.077(3) Uani 1 1 d D U . . .
F2_73 F 0.4047(3) 0.4996(4) 0.4356(3) 0.078(3) Uani 1 1 d D U . . .
F3_73 F 0.3570(3) 0.5122(3) 0.4560(3) 0.070(3) Uani 1 1 d D U . . .
C3_73 C 0.4081(4) 0.4458(4) 0.4774(4) 0.061(3) Uani 1 1 d D U . . .
F4_73 F 0.4098(3) 0.4258(3) 0.5036(3) 0.074(3) Uani 1 1 d D U . . .
F5_73 F 0.3856(3) 0.4099(4) 0.4392(3) 0.083(3) Uani 1 1 d D U . . .
F6_73 F 0.4521(3) 0.4774(3) 0.4819(3) 0.077(3) Uani 1 1 d D U . . .
C4_73 C 0.3363(4) 0.4382(4) 0.4907(4) 0.058(3) Uani 1 1 d D U . . .
F7_73 F 0.3066(3) 0.4518(4) 0.4856(3) 0.072(3) Uani 1 1 d D U . . .
F8_73 F 0.3463(3) 0.4393(3) 0.5278(3) 0.071(3) Uani 1 1 d D U . . .
F9_73 F 0.3127(3) 0.3916(3) 0.4639(3) 0.073(3) Uani 1 1 d D U . . .
O1_74 O 0.4774(3) 0.5919(3) 0.5972(3) 0.042(2) Uani 1 1 d D U . . .
C1_74 C 0.4934(4) 0.5811(4) 0.6269(3) 0.042(3) Uani 1 1 d D U . . .
C2_74 C 0.4854(4) 0.5314(4) 0.6094(4) 0.054(3) Uani 1 1 d D U . . .
F1_74 F 0.4387(3) 0.4955(3) 0.5953(3) 0.063(3) Uani 1 1 d D U . . .
F2_74 F 0.4987(3) 0.5257(3) 0.5771(3) 0.064(3) Uani 1 1 d D U . . .
F3_74 F 0.5103(3) 0.5253(3) 0.6374(3) 0.065(3) Uani 1 1 d D U . . .
C3_74 C 0.4685(4) 0.5822(5) 0.6565(4) 0.062(3) Uani 1 1 d D U . . .
F4_74 F 0.4200(3) 0.5551(4) 0.6361(3) 0.085(3) Uani 1 1 d D U . . .
F5_74 F 0.4803(4) 0.6272(4) 0.6784(3) 0.086(3) Uani 1 1 d D U . . .
F6_74 F 0.4767(4) 0.5649(4) 0.6830(3) 0.082(3) Uani 1 1 d D U . . .
C4_74 C 0.5480(4) 0.6213(4) 0.6503(3) 0.052(3) Uani 1 1 d D U . . .
F7_74 F 0.5667(3) 0.6203(3) 0.6847(3) 0.067(3) Uani 1 1 d D U . . .
F8_74 F 0.5580(3) 0.6659(3) 0.6600(3) 0.069(3) Uani 1 1 d D U . . .
F9_74 F 0.5711(3) 0.6154(3) 0.6265(3) 0.059(2) Uani 1 1 d D U . . .
In1 In 0.20725(3) -0.02441(3) 0.17936(3) 0.0183(2) Uani 1 1 d . U . . .
In2 In 0.29269(3) 0.03793(3) 0.24954(3) 0.0239(2) Uani 1 1 d . U . . .
In3 In 0.30372(3) 0.02462(3) 0.32054(3) 0.0184(2) Uani 1 1 d . U . . .
In4 In 0.22075(3) -0.03589(3) 0.25079(3) 0.0238(2) Uani 1 1 d . U . . .
N1_75 N 0.2263(3) -0.0163(4) 0.1240(3) 0.020(2) Uani 1 1 d . U . . .
N2_75 N 0.1915(4) -0.0991(4) 0.1330(3) 0.026(2) Uani 1 1 d . U . . .
C1_75 C 0.2461(5) 0.0273(5) 0.1220(4) 0.033(3) Uani 1 1 d . U . . .
H1_75 H 0.2493 0.0536 0.1422 0.040 Uiso 1 1 calc R U . . .
C2_75 C 0.2618(5) 0.0346(5) 0.0914(4) 0.030(3) Uani 1 1 d . U . . .
H2_75 H 0.2747 0.0652 0.0905 0.036 Uiso 1 1 calc R U . . .
C3_75 C 0.2586(5) -0.0023(5) 0.0630(4) 0.034(3) Uani 1 1 d . U . . .
H3_75 H 0.2703 0.0024 0.0425 0.040 Uiso 1 1 calc R U . . .
C4_75 C 0.2377(5) -0.0474(5) 0.0646(4) 0.032(3) Uani 1 1 d . U . . .
H4_75 H 0.2340 -0.0742 0.0445 0.038 Uiso 1 1 calc R U . . .
C5_75 C 0.2226(4) -0.0531(5) 0.0955(4) 0.0256(3) Uani 1 1 d . U . . .
C6_75 C 0.2033(4) -0.0992(5) 0.0998(4) 0.0256(3) Uani 1 1 d . U . . .
C7_75 C 0.1972(5) -0.1395(5) 0.0734(4) 0.029(3) Uani 1 1 d . U . . .
H7_75 H 0.2038 -0.1398 0.0497 0.035 Uiso 1 1 calc R U . . .
C8_75 C 0.1810(5) -0.1809(5) 0.0812(5) 0.041(3) Uani 1 1 d . U . . .
H8_75 H 0.1770 -0.2092 0.0633 0.049 Uiso 1 1 calc R U . . .
C9_75 C 0.1712(5) -0.1793(5) 0.1149(4) 0.034(3) Uani 1 1 d . U . . .
H9_75 H 0.1605 -0.2067 0.1209 0.040 Uiso 1 1 calc R U . . .
C10_75 C 0.1766(5) -0.1387(5) 0.1401(4) 0.031(3) Uani 1 1 d . U . . .
H10_75 H 0.1696 -0.1383 0.1636 0.037 Uiso 1 1 calc R U . . .
N1_76 N 0.1938(4) 0.0385(4) 0.1846(3) 0.024(2) Uani 1 1 d . U . . .
N2_76 N 0.1249(3) -0.0589(4) 0.1484(3) 0.020(2) Uani 1 1 d . U . . .
C1_76 C 0.2295(5) 0.0863(5) 0.2064(4) 0.029(3) Uani 1 1 d . U . . .
H1_76 H 0.2615 0.0953 0.2160 0.035 Uiso 1 1 calc R U . . .
C2_76 C 0.2228(5) 0.1217(5) 0.2154(4) 0.033(3) Uani 1 1 d . U . . .
H2_76 H 0.2493 0.1550 0.2293 0.040 Uiso 1 1 calc R U . . .
C3_76 C 0.1742(5) 0.1083(6) 0.2035(5) 0.050(4) Uani 1 1 d . U . . .
H3_76 H 0.1674 0.1321 0.2103 0.060 Uiso 1 1 calc R U . . .
C4_76 C 0.1375(5) 0.0582(5) 0.1812(4) 0.041(4) Uani 1 1 d . U . . .
H4_76 H 0.1049 0.0471 0.1719 0.050 Uiso 1 1 calc R U . . .
C5_76 C 0.1492(4) 0.0258(5) 0.1732(4) 0.0256(3) Uani 1 1 d . U . . .
C6_76 C 0.1101(4) -0.0290(5) 0.1510(4) 0.0256(3) Uani 1 1 d . U . . .
C7_76 C 0.0623(5) -0.0476(5) 0.1351(4) 0.032(3) Uani 1 1 d . U . . .
H7_76 H 0.0525 -0.0262 0.1363 0.039 Uiso 1 1 calc R U . . .
C9_76 C 0.0284(5) -0.0974(5) 0.1173(4) 0.035(3) Uani 1 1 d . U . . .
H9_76 H -0.0048 -0.1104 0.1069 0.042 Uiso 1 1 calc R U . . .
C8_76 C 0.0428(5) -0.1279(5) 0.1149(4) 0.034(3) Uani 1 1 d . U . . .
H8_76 H 0.0202 -0.1623 0.1029 0.041 Uiso 1 1 calc R U . . .
C10_76 C 0.0924(5) -0.1062(5) 0.1309(4) 0.030(3) Uani 1 1 d . U . . .
H10_76 H 0.1030 -0.1270 0.1289 0.036 Uiso 1 1 calc R U . . .
N1_77 N 0.3386(4) 0.1217(4) 0.2756(3) 0.024(2) Uani 1 1 d . U . . .
N2_77 N 0.3480(3) 0.0615(4) 0.2187(3) 0.019(2) Uani 1 1 d . U . . .
C1_77 C 0.3404(5) 0.1519(5) 0.3086(4) 0.029(3) Uani 1 1 d . U . . .
H1_77 H 0.3162 0.1380 0.3184 0.035 Uiso 1 1 calc R U . . .
C2_77 C 0.3750(5) 0.2015(5) 0.3293(4) 0.032(3) Uani 1 1 d . U . . .
H2_77 H 0.3745 0.2216 0.3522 0.039 Uiso 1 1 calc R U . . .
C3_77 C 0.4106(5) 0.2208(5) 0.3147(4) 0.034(3) Uani 1 1 d . U . . .
H3_77 H 0.4359 0.2546 0.3290 0.040 Uiso 1 1 calc R U . . .
C4_77 C 0.4105(4) 0.1929(5) 0.2808(4) 0.027(3) Uani 1 1 d . U . . .
H4_77 H 0.4339 0.2068 0.2702 0.033 Uiso 1 1 calc R U . . .
C5_77 C 0.3741(5) 0.1426(5) 0.2623(4) 0.0256(3) Uani 1 1 d . U . . .
C6_77 C 0.3724(5) 0.1089(5) 0.2262(4) 0.0256(3) Uani 1 1 d . U . . .
C7_77 C 0.3933(5) 0.1238(5) 0.2002(4) 0.028(3) Uani 1 1 d . U . . .
H7_77 H 0.4085 0.1568 0.2044 0.034 Uiso 1 1 calc R U . . .
C8_77 C 0.3923(5) 0.0913(5) 0.1686(4) 0.030(3) Uani 1 1 d . U . . .
H8_77 H 0.4076 0.1018 0.1514 0.036 Uiso 1 1 calc R U . . .
C9_77 C 0.3689(5) 0.0435(5) 0.1619(4) 0.029(3) Uani 1 1 d . U . . .
H9_77 H 0.3677 0.0202 0.1403 0.035 Uiso 1 1 calc R U . . .
C10_77 C 0.3473(4) 0.0303(5) 0.1873(4) 0.022(3) Uani 1 1 d . U . . .
H10_77 H 0.3307 -0.0030 0.1824 0.026 Uiso 1 1 calc R U . . .
N1_78 N 0.2758(4) 0.0576(4) 0.3661(3) 0.024(2) Uani 1 1 d . U . . .
N2_78 N 0.3668(4) 0.0976(4) 0.3735(3) 0.023(2) Uani 1 1 d . U . . .
C1_78 C 0.2281(5) 0.0347(5) 0.3563(4) 0.026(3) Uani 1 1 d . U . . .
H1_78 H 0.2062 0.0035 0.3336 0.031 Uiso 1 1 calc R U . . .
C2_78 C 0.2110(5) 0.0565(5) 0.3793(4) 0.028(3) Uani 1 1 d . U . . .
H2_78 H 0.1777 0.0397 0.3735 0.034 Uiso 1 1 calc R U . . .
C3_78 C 0.2434(5) 0.1032(5) 0.4106(4) 0.032(3) Uani 1 1 d . U . . .
H3_78 H 0.2327 0.1192 0.4266 0.039 Uiso 1 1 calc R U . . .
C4_78 C 0.2927(5) 0.1267(5) 0.4184(4) 0.036(3) Uani 1 1 d . U . . .
H4_78 H 0.3156 0.1590 0.4394 0.043 Uiso 1 1 calc R U . . .
C5_78 C 0.3072(4) 0.1028(5) 0.3958(4) 0.0256(3) Uani 1 1 d . U . . .
C6_78 C 0.3573(4) 0.1227(5) 0.4002(4) 0.0256(3) Uani 1 1 d . U . . .
C7_78 C 0.3965(5) 0.1700(5) 0.4325(4) 0.039(3) Uani 1 1 d . U . . .
H7_78 H 0.3900 0.1888 0.4510 0.047 Uiso 1 1 calc R U . . .
C8_78 C 0.4422(5) 0.1878(5) 0.4367(5) 0.040(4) Uani 1 1 d . U . . .
H8_78 H 0.4681 0.2179 0.4591 0.048 Uiso 1 1 calc R U . . .
C9_78 C 0.4512(5) 0.1618(5) 0.4081(4) 0.039(4) Uani 1 1 d . U . . .
H9_78 H 0.4829 0.1747 0.4095 0.047 Uiso 1 1 calc R U . . .
C10_78 C 0.4136(5) 0.1175(5) 0.3780(4) 0.030(3) Uani 1 1 d . U . . .
H10_78 H 0.4200 0.0992 0.3591 0.036 Uiso 1 1 calc R U . . .
N1_79 N 0.1431(4) -0.0652(4) 0.2487(3) 0.025(2) Uani 1 1 d . U . . .
N2_79 N 0.1863(4) -0.1135(4) 0.2470(3) 0.021(2) Uani 1 1 d . U . . .
C1_79 C 0.1207(5) -0.0424(5) 0.2446(4) 0.030(3) Uani 1 1 d . U . . .
H1_79 H 0.1402 -0.0082 0.2528 0.036 Uiso 1 1 calc R U . . .
C2_79 C 0.0720(5) -0.0654(5) 0.2295(4) 0.031(3) Uani 1 1 d . U . . .
H2_79 H 0.0585 -0.0476 0.2277 0.037 Uiso 1 1 calc R U . . .
C3_79 C 0.0434(5) -0.1146(5) 0.2170(4) 0.033(3) Uani 1 1 d . U . . .
H3_79 H 0.0095 -0.1316 0.2051 0.040 Uiso 1 1 calc R U . . .
C4_79 C 0.0643(5) -0.1410(5) 0.2219(4) 0.035(3) Uani 1 1 d . U . . .
H4_79 H 0.0450 -0.1749 0.2146 0.042 Uiso 1 1 calc R U . . .
C5_79 C 0.1149(5) -0.1136(5) 0.2379(4) 0.0256(3) Uani 1 1 d . U . . .
C6_79 C 0.1401(5) -0.1375(5) 0.2442(4) 0.0256(3) Uani 1 1 d . U . . .
C7_79 C 0.1171(5) -0.1813(5) 0.2460(4) 0.037(3) Uani 1 1 d . U . . .
H7_79 H 0.0847 -0.1977 0.2430 0.044 Uiso 1 1 calc R U . . .
C8_79 C 0.1431(6) -0.2013(6) 0.2523(5) 0.049(4) Uani 1 1 d . U . . .
H8_79 H 0.1283 -0.2318 0.2536 0.059 Uiso 1 1 calc R U . . .
C9_79 C 0.1917(5) -0.1758(5) 0.2569(5) 0.038(4) Uani 1 1 d . U . . .
H9_79 H 0.2103 -0.1880 0.2625 0.046 Uiso 1 1 calc R U . . .
C10_79 C 0.2110(5) -0.1331(5) 0.2531(4) 0.034(3) Uani 1 1 d . U . . .
H10_79 H 0.2430 -0.1165 0.2547 0.040 Uiso 1 1 calc R U . . .
N1_80 N 0.3008(3) -0.0243(4) 0.3529(3) 0.022(2) Uani 1 1 d . U . . .
N2_80 N 0.3598(4) 0.0050(4) 0.3133(3) 0.024(2) Uani 1 1 d . U . . .
C1_80 C 0.2725(5) -0.0371(5) 0.3742(4) 0.027(3) Uani 1 1 d . U . . .
H1_80 H 0.2562 -0.0220 0.3788 0.032 Uiso 1 1 calc R U . . .
C2_80 C 0.2667(5) -0.0701(5) 0.3889(4) 0.035(3) Uani 1 1 d . U . . .
H2_80 H 0.2458 -0.0785 0.4026 0.042 Uiso 1 1 calc R U . . .
C3_80 C 0.2911(5) -0.0916(5) 0.3839(4) 0.033(3) Uani 1 1 d . U . . .
H3_80 H 0.2876 -0.1148 0.3941 0.040 Uiso 1 1 calc R U . . .
C4_80 C 0.3209(5) -0.0779(5) 0.3634(4) 0.033(3) Uani 1 1 d . U . . .
H4_80 H 0.3382 -0.0920 0.3594 0.039 Uiso 1 1 calc R U . . .
C5_80 C 0.3260(4) -0.0439(5) 0.3485(4) 0.0256(3) Uani 1 1 d . U . . .
C6_80 C 0.3581(4) -0.0279(5) 0.3257(4) 0.0256(3) Uani 1 1 d . U . . .
C7_80 C 0.3828(5) -0.0488(6) 0.3159(4) 0.040(4) Uani 1 1 d . U . . .
H7_80 H 0.3810 -0.0729 0.3242 0.048 Uiso 1 1 calc R U . . .
C8_80 C 0.4102(5) -0.0331(5) 0.2935(4) 0.037(4) Uani 1 1 d . U . . .
H8_80 H 0.4272 -0.0466 0.2864 0.045 Uiso 1 1 calc R U . . .
C9_80 C 0.4124(5) 0.0012(5) 0.2818(4) 0.035(3) Uani 1 1 d . U . . .
H9_80 H 0.4315 0.0128 0.2673 0.042 Uiso 1 1 calc R U . . .
C10_80 C 0.3855(4) 0.0190(5) 0.2917(4) 0.027(3) Uani 1 1 d . U . . .
H10_80 H 0.3856 0.0419 0.2826 0.032 Uiso 1 1 calc R U . . .
In5 In 0.68966(3) 0.96190(3) 1.17621(3) 0.0204(2) Uani 1 1 d . U . . .
In6 In 0.77004(3) 1.02305(3) 1.24691(3) 0.0265(2) Uani 1 1 d . U . . .
In7 In 0.78330(3) 1.01589(3) 1.31907(3) 0.0217(2) Uani 1 1 d . U . . .
In8 In 0.69738(3) 0.94961(3) 1.24841(3) 0.0257(2) Uani 1 1 d . U . . .
N1_81 N 0.6997(3) 1.0081(4) 1.1390(3) 0.023(2) Uani 1 1 d . U . . .
N2_81 N 0.6308(4) 0.9793(4) 1.1694(3) 0.029(2) Uani 1 1 d . U . . .
C1_81 C 0.7372(5) 1.0280(5) 1.1303(4) 0.027(3) Uani 1 1 d . U . . .
H1_81 H 0.7587 1.0187 1.1350 0.033 Uiso 1 1 calc R U . . .
C2_81 C 0.7476(5) 1.0623(5) 1.1144(4) 0.041(4) Uani 1 1 d . U . . .
H2_81 H 0.7759 1.0770 1.1095 0.049 Uiso 1 1 calc R U . . .
C3_81 C 0.7148(5) 1.0742(5) 1.1061(4) 0.040(4) Uani 1 1 d . U . . .
H3_81 H 0.7201 1.0970 1.0950 0.047 Uiso 1 1 calc R U . . .
C4_81 C 0.6752(5) 1.0525(5) 1.1143(4) 0.034(3) Uani 1 1 d . U . . .
H4_81 H 0.6523 1.0599 1.1087 0.041 Uiso 1 1 calc R U . . .
C5_81 C 0.6680(4) 1.0193(5) 1.1308(4) 0.0256(3) Uani 1 1 d . U . . .
C6_81 C 0.6265(4) 0.9983(4) 1.1417(4) 0.0256(3) Uani 1 1 d . U . . .
C7_81 C 0.5859(5) 0.9980(5) 1.1278(4) 0.034(3) Uani 1 1 d . U . . .
H7_81 H 0.5820 1.0089 1.1075 0.041 Uiso 1 1 calc R U . . .
C8_81 C 0.5518(5) 0.9819(4) 1.1433(4) 0.032(3) Uani 1 1 d . U . . .
H8_81 H 0.5242 0.9818 1.1337 0.039 Uiso 1 1 calc R U . . .
C9_81 C 0.5567(5) 0.9659(5) 1.1728(5) 0.043(4) Uani 1 1 d . U . . .
H9_81 H 0.5334 0.9559 1.1842 0.051 Uiso 1 1 calc R U . . .
C10_81 C 0.5965(5) 0.9645(5) 1.1857(4) 0.034(3) Uani 1 1 d . U . . .
H10_81 H 0.6001 0.9533 1.2058 0.041 Uiso 1 1 calc R U . . .
N1_82 N 0.6287(4) 0.8840(4) 1.1265(3) 0.022(2) Uani 1 1 d . U . . .
N2_82 N 0.7213(4) 0.9279(4) 1.1366(3) 0.025(2) Uani 1 1 d . U . . .
C1_82 C 0.5834(5) 0.8617(5) 1.1244(4) 0.030(3) Uani 1 1 d . U . . .
H1_82 H 0.5761 0.8801 1.1423 0.036 Uiso 1 1 calc R U . . .
C2_82 C 0.5472(5) 0.8141(5) 1.0980(4) 0.034(3) Uani 1 1 d . U . . .
H2_82 H 0.5159 0.8002 1.0977 0.041 Uiso 1 1 calc R U . . .
C3_82 C 0.5567(5) 0.7868(5) 1.0718(4) 0.038(3) Uani 1 1 d . U . . .
H3_82 H 0.5322 0.7538 1.0528 0.045 Uiso 1 1 calc R U . . .
C4_82 C 0.6036(5) 0.8089(5) 1.0740(4) 0.034(3) Uani 1 1 d . U . . .
H4_82 H 0.6115 0.7909 1.0566 0.040 Uiso 1 1 calc R U . . .
C5_82 C 0.6386(4) 0.8575(5) 1.1016(4) 0.0256(3) Uani 1 1 d . U . . .
C6_82 C 0.6896(4) 0.8816(5) 1.1063(4) 0.0256(3) Uani 1 1 d . U . . .
C7_82 C 0.7053(5) 0.8596(5) 1.0817(4) 0.032(3) Uani 1 1 d . U . . .
H7_82 H 0.6829 0.8279 1.0597 0.038 Uiso 1 1 calc R U . . .
C8_82 C 0.7540(5) 0.8844(5) 1.0895(4) 0.035(3) Uani 1 1 d . U . . .
H8_82 H 0.7649 0.8692 1.0730 0.042 Uiso 1 1 calc R U . . .
C9_82 C 0.7857(5) 0.9294(5) 1.1202(4) 0.033(3) Uani 1 1 d . U . . .
H9_82 H 0.8190 0.9465 1.1260 0.040 Uiso 1 1 calc R U . . .
C10_82 C 0.7677(5) 0.9503(5) 1.1435(4) 0.030(3) Uani 1 1 d . U . . .
H10_82 H 0.7898 0.9821 1.1653 0.036 Uiso 1 1 calc R U . . .
N1_83 N 0.6488(4) 0.8634(4) 1.2237(3) 0.025(2) Uani 1 1 d . U . . .
N2_83 N 0.6407(3) 0.9286(4) 1.2776(3) 0.020(2) Uani 1 1 d . U . . .
C1_83 C 0.6490(5) 0.8339(5) 1.1924(4) 0.030(3) Uani 1 1 d . U . . .
H1_83 H 0.6752 0.8466 1.1845 0.036 Uiso 1 1 calc R U . . .
C2_83 C 0.6115(5) 0.7847(5) 1.1709(4) 0.030(3) Uani 1 1 d . U . . .
H2_83 H 0.6115 0.7639 1.1482 0.037 Uiso 1 1 calc R U . . .
C3_83 C 0.5740(5) 0.7665(5) 1.1834(4) 0.034(3) Uani 1 1 d . U . . .
H3_83 H 0.5482 0.7329 1.1696 0.041 Uiso 1 1 calc R U . . .
C4_83 C 0.5748(5) 0.7977(5) 1.2156(4) 0.031(3) Uani 1 1 d . U . . .
H4_83 H 0.5489 0.7858 1.2239 0.037 Uiso 1 1 calc R U . . .
C5_83 C 0.6125(4) 0.8459(5) 1.2362(4) 0.0256(3) Uani 1 1 d . U . . .
C6_83 C 0.6150(4) 0.8811(5) 1.2713(4) 0.0256(3) Uani 1 1 d . U . . .
C7_83 C 0.5916(5) 0.8679(5) 1.2973(4) 0.027(3) Uani 1 1 d . U . . .
H7_83 H 0.5733 0.8347 1.2926 0.032 Uiso 1 1 calc R U . . .
C8_83 C 0.5949(5) 0.9021(5) 1.3288(4) 0.030(3) Uani 1 1 d . U . . .
H8_83 H 0.5792 0.8927 1.3460 0.035 Uiso 1 1 calc R U . . .
C9_83 C 0.6210(4) 0.9509(5) 1.3361(4) 0.027(3) Uani 1 1 d . U . . .
H9_83 H 0.6240 0.9753 1.3582 0.032 Uiso 1 1 calc R U . . .
C10_83 C 0.6426(4) 0.9622(5) 1.3097(4) 0.026(3) Uani 1 1 d . U . . .
H10_83 H 0.6598 0.9952 1.3138 0.031 Uiso 1 1 calc R U . . .
N1_84 N 0.7997(4) 1.0969(4) 1.2438(3) 0.023(2) Uani 1 1 d . U . . .
N2_84 N 0.8477(4) 1.0544(4) 1.2500(3) 0.024(2) Uani 1 1 d . U . . .
C1_84 C 0.7721(4) 1.1118(5) 1.2323(4) 0.025(3) Uani 1 1 d . U . . .
H1_84 H 0.7414 1.0964 1.2335 0.030 Uiso 1 1 calc R U . . .
C2_84 C 0.7844(5) 1.1473(5) 1.2190(4) 0.028(3) Uani 1 1 d . U . . .
H2_84 H 0.7629 1.1553 1.2098 0.034 Uiso 1 1 calc R U . . .
C3_84 C 0.8307(5) 1.1712(5) 1.2197(4) 0.032(3) Uani 1 1 d . U . . .
H3_84 H 0.8420 1.1975 1.2124 0.038 Uiso 1 1 calc R U . . .
C4_84 C 0.8595(5) 1.1576(4) 1.2307(4) 0.023(3) Uani 1 1 d . U . . .
H4_84 H 0.8903 1.1731 1.2299 0.028 Uiso 1 1 calc R U . . .
C5_84 C 0.8433(5) 1.1194(5) 1.2436(4) 0.0256(3) Uani 1 1 d . U . . .
C6_84 C 0.8734(5) 1.1023(5) 1.2555(4) 0.0256(3) Uani 1 1 d . U . . .
C7_84 C 0.9218(4) 1.1301(4) 1.2685(4) 0.021(3) Uani 1 1 d . U . . .
H7_84 H 0.9381 1.1622 1.2702 0.025 Uiso 1 1 calc R U . . .
C8_84 C 0.9485(5) 1.1109(5) 1.2798(4) 0.027(3) Uani 1 1 d . U . . .
H8_84 H 0.9825 1.1301 1.2902 0.032 Uiso 1 1 calc R U . . .
C9_84 C 0.9221(5) 1.0633(5) 1.2749(4) 0.033(3) Uani 1 1 d . U . . .
H9_84 H 0.9381 1.0490 1.2818 0.040 Uiso 1 1 calc R U . . .
C10_84 C 0.8735(5) 1.0370(5) 1.2601(4) 0.030(3) Uani 1 1 d . U . . .
H10_84 H 0.8565 1.0042 1.2566 0.036 Uiso 1 1 calc R U . . .
N1_85 N 0.7896(4) 1.0874(4) 1.3596(3) 0.027(2) Uani 1 1 d . U . . .
N2_85 N 0.7581(3) 1.0068(4) 1.3718(3) 0.024(2) Uani 1 1 d . U . . .
C1_85 C 0.8040(5) 1.1263(5) 1.3499(4) 0.034(3) Uani 1 1 d . U . . .
H1_85 H 0.8111 1.1249 1.3264 0.040 Uiso 1 1 calc R U . . .
C2_85 C 0.8080(5) 1.1674(5) 1.3742(4) 0.031(3) Uani 1 1 d . U . . .
H2_85 H 0.8177 1.1942 1.3676 0.037 Uiso 1 1 calc R U . . .
C3_85 C 0.7978(5) 1.1689(5) 1.4082(4) 0.036(3) Uani 1 1 d . U . . .
H3_85 H 0.8019 1.1975 1.4259 0.043 Uiso 1 1 calc R U . . .
C4_85 C 0.7813(4) 1.1284(5) 1.4166(4) 0.030(3) Uani 1 1 d . U . . .
H4_85 H 0.7725 1.1284 1.4392 0.037 Uiso 1 1 calc R U . . .
C5_85 C 0.7782(4) 1.0893(4) 1.3922(4) 0.0256(3) Uani 1 1 d . U . . .
C6_85 C 0.7590(4) 1.0437(5) 1.3980(4) 0.0256(3) Uani 1 1 d . U . . .
C7_85 C 0.7411(4) 1.0367(5) 1.4283(4) 0.032(3) Uani 1 1 d . U . . .
H7_85 H 0.7427 1.0628 1.4473 0.039 Uiso 1 1 calc R U . . .
C8_85 C 0.7217(5) 0.9939(5) 1.4308(4) 0.037(3) Uani 1 1 d . U . . .
H8_85 H 0.7089 0.9897 1.4508 0.044 Uiso 1 1 calc R U . . .
C9_85 C 0.7204(5) 0.9565(6) 1.4048(4) 0.040(3) Uani 1 1 d . U . . .
H9_85 H 0.7076 0.9264 1.4067 0.048 Uiso 1 1 calc R U . . .
C10_85 C 0.7389(5) 0.9639(5) 1.3750(5) 0.036(3) Uani 1 1 d . U . . .
H10_85 H 0.7378 0.9380 1.3564 0.043 Uiso 1 1 calc R U . . .
N1_86 N 0.8668(3) 1.0610(4) 1.3552(3) 0.020(2) Uani 1 1 d . U . . .
N2_86 N 0.8080(4) 0.9634(4) 1.3251(3) 0.029(2) Uani 1 1 d . U . . .
C1_86 C 0.8964(5) 1.1088(5) 1.3655(4) 0.035(3) Uani 1 1 d . U . . .
H1_86 H 0.8830 1.1260 1.3607 0.042 Uiso 1 1 calc R U . . .
C2_86 C 0.9469(5) 1.1345(5) 1.3830(4) 0.033(3) Uani 1 1 d . U . . .
H2_86 H 0.9670 1.1681 1.3892 0.040 Uiso 1 1 calc R U . . .
C3_86 C 0.9662(5) 1.1106(5) 1.3910(4) 0.039(4) Uani 1 1 d . U . . .
H3_86 H 1.0000 1.1274 1.4032 0.047 Uiso 1 1 calc R U . . .
C4_86 C 0.9367(5) 1.0617(5) 1.3813(4) 0.028(3) Uani 1 1 d . U . . .
H4_86 H 0.9502 1.0447 1.3867 0.034 Uiso 1 1 calc R U . . .
C5_86 C 0.8868(4) 1.0371(5) 1.3635(4) 0.0256(3) Uani 1 1 d . U . . .
C6_86 C 0.8521(4) 0.9839(5) 1.3510(4) 0.0256(3) Uani 1 1 d . U . . .
C7_86 C 0.8679(5) 0.9579(5) 1.3646(5) 0.037(3) Uani 1 1 d . U . . .
H7_86 H 0.8992 0.9734 1.3843 0.044 Uiso 1 1 calc R U . . .
C8_86 C 0.8334(6) 0.9073(6) 1.3464(6) 0.057(4) Uani 1 1 d . U . . .
H8_86 H 0.8412 0.8873 1.3541 0.068 Uiso 1 1 calc R U . . .
C9_86 C 0.7897(5) 0.8866(5) 1.3185(5) 0.043(3) Uani 1 1 d . U . . .
H9_86 H 0.7673 0.8521 1.3061 0.051 Uiso 1 1 calc R U . . .
C10_86 C 0.7766(5) 0.9153(5) 1.3074(5) 0.039(3) Uani 1 1 d . U . . .
H10_86 H 0.7457 0.9005 1.2874 0.046 Uiso 1 1 calc R U . . .
In9 In 0.20093(3) 0.47468(3) 0.67745(3) 0.0195(2) Uani 1 1 d . U . . .
In10 In 0.28318(3) 0.53155(3) 0.74816(3) 0.0245(2) Uani 1 1 d . U . . .
In11 In 0.29390(3) 0.51536(3) 0.81707(3) 0.0197(2) Uani 1 1 d . U . . .
In12 In 0.20945(3) 0.45701(3) 0.74686(3) 0.0248(2) Uani 1 1 d . U . . .
N1_87 N 0.1415(4) 0.4891(4) 0.6843(3) 0.021(2) Uani 1 1 d . U . . .
N2_87 N 0.2026(3) 0.5279(3) 0.6496(3) 0.022(2) Uani 1 1 d . U . . .
C1_87 C 0.1163(5) 0.4732(5) 0.7063(4) 0.031(3) Uani 1 1 d . U . . .
H1_87 H 0.1173 0.4502 0.7146 0.038 Uiso 1 1 calc R U . . .
C2_87 C 0.0886(5) 0.4895(5) 0.7173(4) 0.034(3) Uani 1 1 d . U . . .
H2_87 H 0.0699 0.4766 0.7317 0.041 Uiso 1 1 calc R U . . .
C3_87 C 0.0896(5) 0.5231(5) 0.7071(4) 0.039(4) Uani 1 1 d . U . . .
H3_87 H 0.0713 0.5347 0.7146 0.046 Uiso 1 1 calc R U . . .
C4_87 C 0.1159(5) 0.5419(5) 0.6861(4) 0.038(3) Uani 1 1 d . U . . .
H4_87 H 0.1168 0.5669 0.6797 0.045 Uiso 1 1 calc R U . . .
C5_87 C 0.1417(4) 0.5232(5) 0.6741(4) 0.0256(3) Uani 1 1 d . U . . .
C6_87 C 0.1735(4) 0.5424(5) 0.6528(4) 0.0256(3) Uani 1 1 d . U . . .
C7_87 C 0.1746(5) 0.5753(5) 0.6385(4) 0.038(3) Uani 1 1 d . U . . .
H7_87 H 0.1531 0.5843 0.6405 0.045 Uiso 1 1 calc R U . . .
C8_87 C 0.2061(6) 0.5950(6) 0.6216(5) 0.050(4) Uani 1 1 d . U . . .
H8_87 H 0.2069 0.6180 0.6121 0.060 Uiso 1 1 calc R U . . .
C9_87 C 0.2366(5) 0.5809(5) 0.6187(4) 0.039(3) Uani 1 1 d . U . . .
H9_87 H 0.2591 0.5942 0.6072 0.047 Uiso 1 1 calc R U . . .
C10_87 C 0.2341(5) 0.5465(5) 0.6328(4) 0.034(3) Uani 1 1 d . U . . .
H10_87 H 0.2548 0.5363 0.6305 0.041 Uiso 1 1 calc R U . . .
N1_88 N 0.1406(3) 0.4016(4) 0.6223(3) 0.019(2) Uani 1 1 d . U . . .
N2_88 N 0.2331(4) 0.4493(4) 0.6314(3) 0.028(2) Uani 1 1 d . U . . .
C1_88 C 0.0944(4) 0.3777(4) 0.6193(4) 0.023(3) Uani 1 1 d . U . . .
H1_88 H 0.0863 0.3939 0.6382 0.028 Uiso 1 1 calc R U . . .
C2_88 C 0.0598(5) 0.3315(5) 0.5903(4) 0.032(3) Uani 1 1 d . U . . .
H2_88 H 0.0280 0.3159 0.5892 0.039 Uiso 1 1 calc R U . . .
C3_88 C 0.0702(5) 0.3076(5) 0.5630(4) 0.034(3) Uani 1 1 d . U . . .
H3_88 H 0.0461 0.2750 0.5431 0.041 Uiso 1 1 calc R U . . .
C4_88 C 0.1174(5) 0.3315(5) 0.5644(4) 0.033(3) Uani 1 1 d . U . . .
H4_88 H 0.1253 0.3156 0.5451 0.039 Uiso 1 1 calc R U . . .
C5_88 C 0.1523(4) 0.3791(5) 0.5951(4) 0.0256(3) Uani 1 1 d . U . . .
C6_88 C 0.2032(4) 0.4058(5) 0.5996(4) 0.0256(3) Uani 1 1 d . U . . .
C7_88 C 0.2201(5) 0.3880(6) 0.5735(5) 0.047(4) Uani 1 1 d . U . . .
H7_88 H 0.1983 0.3574 0.5502 0.057 Uiso 1 1 calc R U . . .
C8_88 C 0.2681(6) 0.4141(6) 0.5811(5) 0.055(4) Uani 1 1 d . U . . .
H8_88 H 0.2797 0.4011 0.5637 0.066 Uiso 1 1 calc R U . . .
C9_88 C 0.2989(5) 0.4588(6) 0.6138(4) 0.042(4) Uani 1 1 d . U . . .
H9_88 H 0.3321 0.4781 0.6193 0.050 Uiso 1 1 calc R U . . .
C10_88 C 0.2800(5) 0.4753(5) 0.6389(4) 0.036(3) Uani 1 1 d . U . . .
H10_88 H 0.3011 0.5061 0.6621 0.043 Uiso 1 1 calc R U . . .
N1_89 N 0.1520(4) 0.4363(4) 0.7758(3) 0.023(2) Uani 1 1 d . U . . .
N2_89 N 0.1574(3) 0.3729(4) 0.7185(3) 0.023(2) Uani 1 1 d . U . . .
C1_89 C 0.1563(5) 0.4690(5) 0.8088(4) 0.030(3) Uani 1 1 d . U . . .
H1_89 H 0.1791 0.5027 0.8170 0.036 Uiso 1 1 calc R U . . .
C2_89 C 0.1290(5) 0.4559(6) 0.8317(5) 0.040(3) Uani 1 1 d . U . . .
H2_89 H 0.1340 0.4798 0.8557 0.048 Uiso 1 1 calc R U . . .
C3_89 C 0.0948(6) 0.4070(6) 0.8178(5) 0.042(4) Uani 1 1 d . U . . .
H3_89 H 0.0737 0.3964 0.8311 0.050 Uiso 1 1 calc R U . . .
C4_89 C 0.0910(5) 0.3735(5) 0.7848(4) 0.034(3) Uani 1 1 d . U . . .
H4_89 H 0.0685 0.3396 0.7765 0.041 Uiso 1 1 calc R U . . .
C5_89 C 0.1197(5) 0.3885(5) 0.7633(4) 0.0256(3) Uani 1 1 d . U . . .
C6_89 C 0.1170(5) 0.3556(5) 0.7277(4) 0.0256(3) Uani 1 1 d . U . . .
C7_89 C 0.0775(4) 0.3076(5) 0.7035(4) 0.024(3) Uani 1 1 d . U . . .
H7_89 H 0.0503 0.2953 0.7103 0.029 Uiso 1 1 calc R U . . .
C8_89 C 0.0769(5) 0.2776(5) 0.6704(4) 0.032(3) Uani 1 1 d . U . . .
H8_89 H 0.0490 0.2453 0.6538 0.038 Uiso 1 1 calc R U . . .
C9_89 C 0.1179(5) 0.2945(5) 0.6605(4) 0.029(3) Uani 1 1 d . U . . .
H9_89 H 0.1187 0.2742 0.6380 0.035 Uiso 1 1 calc R U . . .
C10_89 C 0.1568(5) 0.3427(5) 0.6860(4) 0.028(3) Uani 1 1 d . U . . .
H10_89 H 0.1847 0.3551 0.6801 0.033 Uiso 1 1 calc R U . . .
N1_90 N 0.3137(3) 0.6066(3) 0.7462(3) 0.020(2) Uani 1 1 d . U . . .
N2_90 N 0.3559(4) 0.5571(4) 0.7421(3) 0.026(2) Uani 1 1 d . U . . .
C1_90 C 0.2877(5) 0.6251(5) 0.7425(4) 0.026(3) Uani 1 1 d . U . . .
H1_90 H 0.2609 0.6141 0.7499 0.032 Uiso 1 1 calc R U . . .
C2_90 C 0.3000(5) 0.6611(5) 0.7276(4) 0.034(3) Uani 1 1 d . U . . .
H2_90 H 0.2829 0.6756 0.7262 0.041 Uiso 1 1 calc R U . . .
C3_90 C 0.3383(5) 0.6748(6) 0.7149(4) 0.042(4) Uani 1 1 d . U . . .
H3_90 H 0.3466 0.6978 0.7038 0.050 Uiso 1 1 calc R U . . .
C4_90 C 0.3622(5) 0.6556(5) 0.7185(4) 0.030(3) Uani 1 1 d . U . . .
H4_90 H 0.3879 0.6651 0.7097 0.036 Uiso 1 1 calc R U . . .
C5_90 C 0.3516(4) 0.6217(5) 0.7347(4) 0.0256(3) Uani 1 1 d . U . . .
C6_90 C 0.3792(5) 0.6013(5) 0.7416(4) 0.0256(3) Uani 1 1 d . U . . .
C7_90 C 0.4285(5) 0.6253(5) 0.7479(4) 0.033(3) Uani 1 1 d . U . . .
H7_90 H 0.4449 0.6558 0.7469 0.039 Uiso 1 1 calc R U . . .
C8_90 C 0.4525(5) 0.6053(5) 0.7553(4) 0.039(4) Uani 1 1 d . U . . .
H8_90 H 0.4855 0.6220 0.7601 0.047 Uiso 1 1 calc R U . . .
C9_90 C 0.4283(5) 0.5600(5) 0.7559(4) 0.038(3) Uani 1 1 d . U . . .
H9_90 H 0.4441 0.5450 0.7609 0.046 Uiso 1 1 calc R U . . .
C10_90 C 0.3804(5) 0.5379(5) 0.7490(4) 0.033(3) Uani 1 1 d . U . . .
H10_90 H 0.3637 0.5068 0.7491 0.039 Uiso 1 1 calc R U . . .
N1_91 N 0.3078(3) 0.5871(4) 0.8648(3) 0.024(2) Uani 1 1 d . U . . .
N2_91 N 0.2733(3) 0.5026(4) 0.8712(3) 0.023(2) Uani 1 1 d . U . . .
C1_91 C 0.3218(5) 0.6277(5) 0.8590(4) 0.034(3) Uani 1 1 d . U . . .
H1_91 H 0.3331 0.6304 0.8380 0.041 Uiso 1 1 calc R U . . .
C2_91 C 0.3205(5) 0.6644(5) 0.8813(4) 0.034(3) Uani 1 1 d . U . . .
H2_91 H 0.3306 0.6923 0.8761 0.040 Uiso 1 1 calc R U . . .
C3_91 C 0.3042(5) 0.6610(5) 0.9118(5) 0.040(4) Uani 1 1 d . U . . .
H3_91 H 0.3028 0.6866 0.9277 0.048 Uiso 1 1 calc R U . . .
C4_91 C 0.2902(5) 0.6218(5) 0.9195(4) 0.036(3) Uani 1 1 d . U . . .
H4_91 H 0.2791 0.6195 0.9406 0.044 Uiso 1 1 calc R U . . .
C5_91 C 0.2923(4) 0.5849(5) 0.8962(4) 0.0256(3) Uani 1 1 d . U . . .
C6_91 C 0.2756(4) 0.5387(5) 0.9003(4) 0.0256(3) Uani 1 1 d . U . . .
C7_91 C 0.2625(5) 0.5314(5) 0.9314(4) 0.038(3) Uani 1 1 d . U . . .
H7_91 H 0.2662 0.5573 0.9525 0.046 Uiso 1 1 calc R U . . .
C8_91 C 0.2437(5) 0.4857(5) 0.9324(4) 0.036(3) Uani 1 1 d . U . . .
H8_91 H 0.2330 0.4794 0.9530 0.043 Uiso 1 1 calc R U . . .
C9_91 C 0.2417(5) 0.4515(5) 0.9024(4) 0.037(3) Uani 1 1 d . U . . .
H9_91 H 0.2296 0.4206 0.9026 0.045 Uiso 1 1 calc R U . . .
C10_91 C 0.2558(5) 0.4585(5) 0.8721(4) 0.034(3) Uani 1 1 d . U . . .
H10_91 H 0.2536 0.4330 0.8518 0.041 Uiso 1 1 calc R U . . .
N1_92 N 0.3071(4) 0.4529(4) 0.8084(3) 0.026(2) Uani 1 1 d . U . . .
N2_92 N 0.3757(4) 0.5492(4) 0.8466(3) 0.021(2) Uani 1 1 d . U . . .
C1_92 C 0.2704(5) 0.4047(5) 0.7863(4) 0.032(3) Uani 1 1 d . U . . .
H1_92 H 0.2384 0.3958 0.7772 0.038 Uiso 1 1 calc R U . . .
C2_92 C 0.2778(5) 0.3691(5) 0.7769(4) 0.029(3) Uani 1 1 d . U . . .
H2_92 H 0.2515 0.3357 0.7627 0.035 Uiso 1 1 calc R U . . .
C3_92 C 0.3253(5) 0.3826(5) 0.7885(5) 0.045(4) Uani 1 1 d . U . . .
H3_92 H 0.3315 0.3584 0.7812 0.054 Uiso 1 1 calc R U . . .
C4_92 C 0.3621(5) 0.4307(5) 0.8102(5) 0.043(4) Uani 1 1 d . U . . .
H4_92 H 0.3943 0.4401 0.8191 0.051 Uiso 1 1 calc R U . . .
C5_92 C 0.3528(4) 0.4655(5) 0.8191(4) 0.0256(3) Uani 1 1 d . U . . .
C6_92 C 0.3901(4) 0.5181(5) 0.8403(4) 0.0256(3) Uani 1 1 d . U . . .
C7_92 C 0.4389(5) 0.5377(5) 0.8530(4) 0.033(3) Uani 1 1 d . U . . .
H7_92 H 0.4489 0.5165 0.8493 0.039 Uiso 1 1 calc R U . . .
C8_92 C 0.4731(5) 0.5879(5) 0.8710(4) 0.035(3) Uani 1 1 d . U . . .
H8_92 H 0.5063 0.6011 0.8795 0.041 Uiso 1 1 calc R U . . .
C9_92 C 0.4576(5) 0.6176(5) 0.8761(4) 0.036(3) Uani 1 1 d . U . . .
H9_92 H 0.4798 0.6521 0.8878 0.043 Uiso 1 1 calc R U . . .
C10_92 C 0.4082(5) 0.5961(5) 0.8636(4) 0.037(3) Uani 1 1 d . U . . .
H10_92 H 0.3978 0.6171 0.8677 0.044 Uiso 1 1 calc R U . . .
In13 In 0.80931(3) 0.53398(3) 0.82556(3) 0.0231(2) Uani 1 1 d . U . . .
In14 In 0.79361(3) 0.55385(3) 0.75956(3) 0.0308(3) Uani 1 1 d . U . . .
In15 In 0.70812(3) 0.50120(3) 0.69334(3) 0.0299(2) Uani 1 1 d . U . . .
In16 In 0.72073(3) 0.47902(3) 0.75940(3) 0.0304(3) Uani 1 1 d . U . . .
N1_93 N 0.8595(3) 0.5086(4) 0.8096(3) 0.025(2) Uani 1 1 d . U . . .
N2_93 N 0.8045(3) 0.4788(4) 0.8516(3) 0.022(2) Uani 1 1 d . U . . .
C1_93 C 0.8798(5) 0.5199(5) 0.7835(4) 0.033(3) Uani 1 1 d . U . . .
H1_93 H 0.8790 0.5430 0.7751 0.040 Uiso 1 1 calc R U . . .
C2_93 C 0.9013(5) 0.4994(5) 0.7690(4) 0.034(3) Uani 1 1 d . U . . .
H2_93 H 0.9170 0.5098 0.7520 0.041 Uiso 1 1 calc R U . . .
C3_93 C 0.9006(6) 0.4641(6) 0.7783(5) 0.050(4) Uani 1 1 d . U . . .
H3_93 H 0.9157 0.4496 0.7681 0.060 Uiso 1 1 calc R U . . .
C4_93 C 0.8771(5) 0.4497(5) 0.8033(4) 0.042(3) Uani 1 1 d . U . . .
H4_93 H 0.8749 0.4242 0.8097 0.050 Uiso 1 1 calc R U . . .
C5_93 C 0.8565(4) 0.4738(4) 0.8193(4) 0.0256(3) Uani 1 1 d . U . . .
C6_93 C 0.8285(4) 0.4590(5) 0.8441(4) 0.0256(3) Uani 1 1 d . U . . .
C7_93 C 0.8256(5) 0.4241(5) 0.8578(4) 0.027(3) Uani 1 1 d . U . . .
H7_93 H 0.8441 0.4114 0.8537 0.032 Uiso 1 1 calc R U . . .
C8_93 C 0.7945(5) 0.4084(5) 0.8779(4) 0.030(3) Uani 1 1 d . U . . .
H8_93 H 0.7910 0.3844 0.8869 0.035 Uiso 1 1 calc R U . . .
C9_93 C 0.7693(5) 0.4285(5) 0.8841(4) 0.025(3) Uani 1 1 d . U . . .
H9_93 H 0.7479 0.4182 0.8972 0.030 Uiso 1 1 calc R U . . .
C10_93 C 0.7755(5) 0.4638(4) 0.8711(4) 0.025(3) Uani 1 1 d . U . . .
H10_93 H 0.7586 0.4781 0.8761 0.030 Uiso 1 1 calc R U . . .
N1_94 N 0.8793(4) 0.6034(4) 0.8797(3) 0.023(2) Uani 1 1 d . U . . .
N2_94 N 0.7921(4) 0.5693(4) 0.8789(3) 0.027(2) Uani 1 1 d . U . . .
C1_94 C 0.9224(5) 0.6202(5) 0.8780(4) 0.033(3) Uani 1 1 d . U . . .
H1_94 H 0.9242 0.6013 0.8553 0.039 Uiso 1 1 calc R U . . .
C2_94 C 0.9649(5) 0.6640(5) 0.9077(4) 0.041(3) Uani 1 1 d . U . . .
H2_94 H 0.9948 0.6758 0.9052 0.049 Uiso 1 1 calc R U . . .
C3_94 C 0.9608(5) 0.6890(5) 0.9410(5) 0.045(3) Uani 1 1 d . U . . .
H3_94 H 0.9888 0.7176 0.9632 0.053 Uiso 1 1 calc R U . . .
C4_94 C 0.9165(5) 0.6730(5) 0.9422(4) 0.040(3) Uani 1 1 d . U . . .
H4_94 H 0.9135 0.6918 0.9640 0.048 Uiso 1 1 calc R U . . .
C5_94 C 0.8769(4) 0.6295(4) 0.9115(4) 0.0256(3) Uani 1 1 d . U . . .
C6_94 C 0.8268(4) 0.6105(5) 0.9112(4) 0.0256(3) Uani 1 1 d . U . . .
C7_94 C 0.8189(5) 0.6341(5) 0.9411(5) 0.047(4) Uani 1 1 d . U . . .
H7_94 H 0.8454 0.6627 0.9645 0.057 Uiso 1 1 calc R U . . .
C8_94 C 0.7723(6) 0.6170(6) 0.9382(5) 0.055(4) Uani 1 1 d . U . . .
H8_94 H 0.7663 0.6333 0.9591 0.066 Uiso 1 1 calc R U . . .
C9_94 C 0.7355(5) 0.5759(5) 0.9038(5) 0.045(4) Uani 1 1 d . U . . .
H9_94 H 0.7031 0.5632 0.8999 0.054 Uiso 1 1 calc R U . . .
C10_94 C 0.7466(5) 0.5529(5) 0.8746(5) 0.034(3) Uani 1 1 d . U . . .
H10_94 H 0.7210 0.5245 0.8507 0.040 Uiso 1 1 calc R U . . .
N1_95 N 0.8462(3) 0.5700(4) 0.7245(3) 0.024(2) Uani 1 1 d . U . . .
N2_95 N 0.8486(4) 0.6370(4) 0.7874(3) 0.027(2) Uani 1 1 d . U . . .
C1_95 C 0.8390(5) 0.5377(5) 0.6901(4) 0.029(3) Uani 1 1 d . U . . .
H1_95 H 0.8175 0.5039 0.6826 0.035 Uiso 1 1 calc R U . . .
C2_95 C 0.8618(5) 0.5513(5) 0.6646(4) 0.039(3) Uani 1 1 d . U . . .
H2_95 H 0.8561 0.5268 0.6407 0.047 Uiso 1 1 calc R U . . .
C3_95 C 0.8924(5) 0.5996(5) 0.6735(4) 0.035(3) Uani 1 1 d . U . . .
H3_95 H 0.9080 0.6092 0.6562 0.042 Uiso 1 1 calc R U . . .
C4_95 C 0.8999(4) 0.6350(5) 0.7102(4) 0.027(3) Uani 1 1 d . U . . .
H4_95 H 0.9199 0.6689 0.7175 0.032 Uiso 1 1 calc R U . . .
C5_95 C 0.8767(4) 0.6182(4) 0.7352(4) 0.0256(3) Uani 1 1 d . U . . .
C6_95 C 0.8844(4) 0.6524(5) 0.7739(4) 0.0256(3) Uani 1 1 d . U . . .
C7_95 C 0.9261(4) 0.6999(5) 0.7975(4) 0.031(3) Uani 1 1 d . U . . .
H7_95 H 0.9510 0.7119 0.7880 0.038 Uiso 1 1 calc R U . . .
C8_95 C 0.9314(5) 0.7284(5) 0.8336(4) 0.040(4) Uani 1 1 d . U . . .
H8_95 H 0.9605 0.7600 0.8497 0.049 Uiso 1 1 calc R U . . .
C9_95 C 0.8950(5) 0.7124(5) 0.8475(4) 0.034(3) Uani 1 1 d . U . . .
H9_95 H 0.8980 0.7323 0.8728 0.040 Uiso 1 1 calc R U . . .
C10_95 C 0.8547(5) 0.6667(5) 0.8228(4) 0.032(3) Uani 1 1 d . U . . .
H10_95 H 0.8291 0.6552 0.8316 0.038 Uiso 1 1 calc R U . . .
N1_96 N 0.6933(3) 0.4001(4) 0.7531(3) 0.026(2) Uani 1 1 d . U . . .
N2_96 N 0.6499(4) 0.4477(4) 0.7686(3) 0.030(3) Uani 1 1 d . U . . .
C1_96 C 0.7199(4) 0.3823(5) 0.7513(4) 0.031(3) Uani 1 1 d . U . . .
H1_96 H 0.7460 0.3964 0.7436 0.037 Uiso 1 1 calc R U . . .
C2_96 C 0.7094(5) 0.3431(5) 0.7608(5) 0.041(3) Uani 1 1 d . U . . .
H2_96 H 0.7284 0.3306 0.7592 0.049 Uiso 1 1 calc R U . . .
C3_96 C 0.6719(5) 0.3225(5) 0.7723(5) 0.042(4) Uani 1 1 d . U . . .
H3_96 H 0.6649 0.2962 0.7791 0.050 Uiso 1 1 calc R U . . .
C4_96 C 0.6448(5) 0.3409(5) 0.7737(4) 0.037(3) Uani 1 1 d . U . . .
H4_96 H 0.6186 0.3273 0.7814 0.044 Uiso 1 1 calc R U . . .
C5_96 C 0.6561(4) 0.3794(4) 0.7638(4) 0.0256(3) Uani 1 1 d . U . . .
C6_96 C 0.6277(4) 0.4012(4) 0.7653(4) 0.0256(3) Uani 1 1 d . U . . .
C7_96 C 0.5806(5) 0.3748(5) 0.7627(4) 0.039(3) Uani 1 1 d . U . . .
H7_96 H 0.5663 0.3428 0.7610 0.047 Uiso 1 1 calc R U . . .
C8_96 C 0.5552(5) 0.3949(5) 0.7628(5) 0.047(4) Uani 1 1 d . U . . .
H8_96 H 0.5228 0.3768 0.7600 0.056 Uiso 1 1 calc R U . . .
C9_96 C 0.5779(5) 0.4424(5) 0.7670(5) 0.059(5) Uani 1 1 d . U . . .
H9_96 H 0.5619 0.4582 0.7682 0.071 Uiso 1 1 calc R U . . .
C10_96 C 0.6246(5) 0.4663(5) 0.7694(5) 0.047(4) Uani 1 1 d . U . . .
H10_96 H 0.6396 0.4987 0.7718 0.056 Uiso 1 1 calc R U . . .
N1_97 N 0.6874(4) 0.5579(4) 0.6995(3) 0.034(2) Uani 1 1 d . U . . .
N2_97 N 0.6266(4) 0.4605(4) 0.6575(3) 0.029(2) Uani 1 1 d . U . . .
C1_97 C 0.7208(5) 0.6087(5) 0.7226(5) 0.048(4) Uani 1 1 d . U . . .
H1_97 H 0.7514 0.6216 0.7420 0.058 Uiso 1 1 calc R U . . .
C2_97 C 0.7088(6) 0.6401(6) 0.7168(5) 0.054(4) Uani 1 1 d . U . . .
H2_97 H 0.7306 0.6742 0.7338 0.065 Uiso 1 1 calc R U . . .
C3_97 C 0.6667(5) 0.6232(5) 0.6876(5) 0.049(4) Uani 1 1 d . U . . .
H3_97 H 0.6607 0.6453 0.6822 0.059 Uiso 1 1 calc R U . . .
C4_97 C 0.6326(5) 0.5732(5) 0.6658(5) 0.048(4) Uani 1 1 d . U . . .
H4_97 H 0.6019 0.5603 0.6464 0.058 Uiso 1 1 calc R U . . .
C5_97 C 0.6449(4) 0.5425(4) 0.6732(4) 0.0256(3) Uani 1 1 d . U . . .
C6_97 C 0.6092(4) 0.4871(5) 0.6541(4) 0.0256(3) Uani 1 1 d . U . . .
C7_97 C 0.5597(5) 0.4631(5) 0.6325(5) 0.050(4) Uani 1 1 d . U . . .
H7_97 H 0.5478 0.4815 0.6277 0.060 Uiso 1 1 calc R U . . .
C8_97 C 0.5288(6) 0.4142(5) 0.6185(5) 0.052(5) Uani 1 1 d . U . . .
H8_97 H 0.4953 0.3979 0.6043 0.063 Uiso 1 1 calc R U . . .
C9_97 C 0.5476(5) 0.3893(5) 0.6257(5) 0.049(4) Uani 1 1 d . U . . .
H9_97 H 0.5268 0.3554 0.6182 0.059 Uiso 1 1 calc R U . . .
C10_97 C 0.5973(5) 0.4132(5) 0.6440(4) 0.034(3) Uani 1 1 d . U . . .
H10_97 H 0.6100 0.3948 0.6468 0.041 Uiso 1 1 calc R U . . .
N1_98 N 0.7333(4) 0.5236(4) 0.6447(3) 0.032(2) Uani 1 1 d . U . . .
N2_98 N 0.7006(4) 0.4345(4) 0.6430(3) 0.029(2) Uani 1 1 d . U . . .
C1_98 C 0.7537(5) 0.5689(5) 0.6469(5) 0.038(3) Uani 1 1 d . U . . .
H1_98 H 0.7549 0.5924 0.6685 0.046 Uiso 1 1 calc R U . . .
C2_98 C 0.7730(6) 0.5840(6) 0.6203(5) 0.057(4) Uani 1 1 d . U . . .
H2_98 H 0.7895 0.6172 0.6249 0.069 Uiso 1 1 calc R U . . .
C3_98 C 0.7673(6) 0.5495(6) 0.5876(5) 0.054(4) Uani 1 1 d . U . . .
H3_98 H 0.7776 0.5579 0.5674 0.065 Uiso 1 1 calc R U . . .
C4_98 C 0.7466(5) 0.5021(6) 0.5831(5) 0.045(3) Uani 1 1 d . U . . .
H4_98 H 0.7431 0.4778 0.5606 0.054 Uiso 1 1 calc R U . . .
C5_98 C 0.7307(4) 0.4911(5) 0.6133(4) 0.0256(3) Uani 1 1 d . U . . .
C6_98 C 0.7109(4) 0.4412(4) 0.6106(4) 0.0256(3) Uani 1 1 d . U . . .
C7_98 C 0.7054(5) 0.4030(5) 0.5802(5) 0.047(4) Uani 1 1 d . U . . .
H7_98 H 0.7121 0.4070 0.5575 0.057 Uiso 1 1 calc R U . . .
C8_98 C 0.6903(5) 0.3588(6) 0.5820(5) 0.049(4) Uani 1 1 d . U . . .
H8_98 H 0.6861 0.3324 0.5610 0.059 Uiso 1 1 calc R U . . .
C9_98 C 0.6818(5) 0.3554(5) 0.6157(4) 0.039(3) Uani 1 1 d . U . . .
H9_98 H 0.6717 0.3259 0.6183 0.047 Uiso 1 1 calc R U . . .
C10_98 C 0.6878(5) 0.3944(5) 0.6467(4) 0.037(3) Uani 1 1 d . U . . .
H10_98 H 0.6824 0.3916 0.6702 0.045 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
In In -0.7276 1.3100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O1_2 Al1 O1_1 118.7(9) . .
O1_2 Al1 O1_4 92.0(8) . .
O1_1 Al1 O1_4 110.0(6) . .
O1_2 Al1 O1_3 116.2(9) . .
O1_1 Al1 O1_3 107.9(5) . .
O1_4 Al1 O1_3 110.9(5) . .
O1_1 Al1 O1A 107.4(8) . .
O1_4 Al1 O1A 118.8(7) . .
O1_3 Al1 O1A 101.1(8) . .
C1_1 O1_1 Al1 157.7(9) . .
O1_1 C1_1 C2_1 109.3(9) . .
O1_1 C1_1 C3_1 108.2(10) . .
C2_1 C1_1 C3_1 110.2(9) . .
O1_1 C1_1 C4_1 107.5(9) . .
C2_1 C1_1 C4_1 110.4(9) . .
C3_1 C1_1 C4_1 111.2(9) . .
F2_1 C2_1 F3_1 106.9(10) . .
F2_1 C2_1 F1_1 107.7(10) . .
F3_1 C2_1 F1_1 105.1(9) . .
F2_1 C2_1 C1_1 112.2(9) . .
F3_1 C2_1 C1_1 111.9(9) . .
F1_1 C2_1 C1_1 112.6(9) . .
F6_1 C3_1 F5_1 108.0(11) . .
F6_1 C3_1 F4_1 109.5(10) . .
F5_1 C3_1 F4_1 106.8(10) . .
F6_1 C3_1 C1_1 111.1(10) . .
F5_1 C3_1 C1_1 111.0(10) . .
F4_1 C3_1 C1_1 110.4(9) . .
F8_1 C4_1 F7_1 105.4(10) . .
F8_1 C4_1 F9_1 108.8(11) . .
F7_1 C4_1 F9_1 110.6(11) . .
F8_1 C4_1 C1_1 109.7(10) . .
F7_1 C4_1 C1_1 111.8(10) . .
F9_1 C4_1 C1_1 110.6(10) . .
C1_2 O1A Al1 144.4(14) . .
C1_2 O1_2 Al1 152.6(14) . .
O1_2 C1_2 C4_2 107.1(13) . .
O1A C1_2 C4_2 110.4(13) . .
O1_2 C1_2 C3_2 124.9(14) . .
O1A C1_2 C3_2 95.7(11) . .
C4_2 C1_2 C3_2 111.8(9) . .
O1_2 C1_2 C2_2 91.2(11) . .
O1A C1_2 C2_2 118.6(12) . .
C4_2 C1_2 C2_2 109.9(10) . .
C3_2 C1_2 C2_2 109.8(10) . .
F2_2 C2_2 F1_2 109.7(12) . .
F2_2 C2_2 F3_2 106.2(12) . .
F1_2 C2_2 F3_2 106.6(12) . .
F2_2 C2_2 C1_2 111.7(11) . .
F1_2 C2_2 C1_2 111.1(11) . .
F3_2 C2_2 C1_2 111.3(12) . .
F4_2 C3_2 F5_2 107.4(13) . .
F4_2 C3_2 F6_2 103.4(12) . .
F5_2 C3_2 F6_2 109.3(12) . .
F4_2 C3_2 C1_2 113.3(13) . .
F5_2 C3_2 C1_2 113.4(11) . .
F6_2 C3_2 C1_2 109.4(11) . .
F7_2 C4_2 F8_2 106.7(12) . .
F7_2 C4_2 F9_2 108.5(12) . .
F8_2 C4_2 F9_2 105.2(12) . .
F7_2 C4_2 C1_2 110.5(12) . .
F8_2 C4_2 C1_2 114.3(11) . .
F9_2 C4_2 C1_2 111.2(11) . .
C1_3 O1_3 Al1 154.9(8) . .
O1_3 C1_3 C4_3 110.4(8) . .
O1_3 C1_3 C2_3 108.1(9) . .
C4_3 C1_3 C2_3 109.3(8) . .
O1_3 C1_3 C3_3 111.2(9) . .
C4_3 C1_3 C3_3 109.3(9) . .
C2_3 C1_3 C3_3 108.5(8) . .
F3_3 C2_3 F1_3 107.6(10) . .
F3_3 C2_3 F2_3 107.4(10) . .
F1_3 C2_3 F2_3 106.1(10) . .
F3_3 C2_3 C1_3 110.8(9) . .
F1_3 C2_3 C1_3 111.1(9) . .
F2_3 C2_3 C1_3 113.5(9) . .
F5_3 C3_3 F4_3 107.6(10) . .
F5_3 C3_3 F6_3 107.5(10) . .
F4_3 C3_3 F6_3 106.1(10) . .
F5_3 C3_3 C1_3 110.9(10) . .
F4_3 C3_3 C1_3 111.1(9) . .
F6_3 C3_3 C1_3 113.3(9) . .
F9_3 C4_3 F7_3 108.0(9) . .
F9_3 C4_3 F8_3 106.8(9) . .
F7_3 C4_3 F8_3 107.9(9) . .
F9_3 C4_3 C1_3 110.6(9) . .
F7_3 C4_3 C1_3 111.5(8) . .
F8_3 C4_3 C1_3 111.8(9) . .
C1_4 O1_4 Al1 157.5(9) . .
O1_4 C1_4 C3_4 107.9(9) . .
O1_4 C1_4 C2_4 112.4(9) . .
C3_4 C1_4 C2_4 110.5(8) . .
O1_4 C1_4 C4_4 109.8(9) . .
C3_4 C1_4 C4_4 109.1(8) . .
C2_4 C1_4 C4_4 107.1(8) . .
F1_4 C2_4 F3_4 108.9(10) . .
F1_4 C2_4 F2_4 105.7(10) . .
F3_4 C2_4 F2_4 107.7(11) . .
F1_4 C2_4 C1_4 111.4(9) . .
F3_4 C2_4 C1_4 110.6(10) . .
F2_4 C2_4 C1_4 112.3(10) . .
F4_4 C3_4 F6_4 109.0(10) . .
F4_4 C3_4 F5_4 105.1(9) . .
F6_4 C3_4 F5_4 108.0(9) . .
F4_4 C3_4 C1_4 111.1(9) . .
F6_4 C3_4 C1_4 113.4(9) . .
F5_4 C3_4 C1_4 109.8(9) . .
F9_4 C4_4 F8_4 107.8(9) . .
F9_4 C4_4 F7_4 108.0(9) . .
F8_4 C4_4 F7_4 107.8(9) . .
F9_4 C4_4 C1_4 110.5(9) . .
F8_4 C4_4 C1_4 113.7(9) . .
F7_4 C4_4 C1_4 109.0(9) . .
O1_9 Al2 O1_23 110.4(14) . .
O1_49 Al2 O1_8 106.3(9) . .
O1_49 Al2 O1_5 111.3(9) . .
O1_8 Al2 O1_5 109.6(11) . .
O1_9 Al2 O1_22 111.2(12) . .
O1_23 Al2 O1_22 111.7(16) . .
O1_49 Al2 O1_7 118.3(8) . .
O1_8 Al2 O1_7 107.6(11) . .
O1_5 Al2 O1_7 103.7(10) . .
C1_5 O1_5 Al2 151.7(16) . .
O1_5 C1_5 C4_5 111.4(13) . .
O1_5 C1_5 C3_5 112.6(12) . .
C4_5 C1_5 C3_5 110.1(11) . .
O1_5 C1_5 C2_5 109.0(12) . .
C4_5 C1_5 C2_5 105.9(11) . .
C3_5 C1_5 C2_5 107.5(11) . .
F2_5 C2_5 F3_5 106.2(13) . .
F2_5 C2_5 F1_5 108.8(13) . .
F3_5 C2_5 F1_5 106.5(13) . .
F2_5 C2_5 C1_5 113.5(12) . .
F3_5 C2_5 C1_5 112.1(13) . .
F1_5 C2_5 C1_5 109.4(12) . .
F4_5 C3_5 F6_5 106.7(14) . .
F4_5 C3_5 F5_5 111.0(14) . .
F6_5 C3_5 F5_5 105.3(13) . .
F4_5 C3_5 C1_5 111.0(13) . .
F6_5 C3_5 C1_5 117.3(14) . .
F5_5 C3_5 C1_5 105.4(13) . .
F7_5 C4_5 F9_5 108.3(14) . .
F7_5 C4_5 F8_5 109.7(14) . .
F9_5 C4_5 F8_5 107.3(13) . .
F7_5 C4_5 C1_5 108.8(13) . .
F9_5 C4_5 C1_5 110.3(13) . .
F8_5 C4_5 C1_5 112.2(13) . .
C1_23 O1_23 Al2 153(2) . .
O1_23 C1_23 C4_23 111.6(16) . .
O1_23 C1_23 C3_23 110.5(15) . .
C4_23 C1_23 C3_23 108.9(14) . .
O1_23 C1_23 C2_23 108.6(16) . .
C4_23 C1_23 C2_23 108.8(13) . .
C3_23 C1_23 C2_23 108.4(13) . .
F1_23 C2_23 F2_23 108.2(17) . .
F1_23 C2_23 F3_23 111.0(18) . .
F2_23 C2_23 F3_23 110.9(18) . .
F1_23 C2_23 C1_23 110.4(18) . .
F2_23 C2_23 C1_23 112.0(17) . .
F3_23 C2_23 C1_23 104.2(18) . .
F6_23 C3_23 F4_23 106.5(17) . .
F6_23 C3_23 F5_23 111.3(17) . .
F4_23 C3_23 F5_23 106.9(17) . .
F6_23 C3_23 C1_23 109.6(16) . .
F4_23 C3_23 C1_23 109.5(17) . .
F5_23 C3_23 C1_23 112.9(17) . .
F7_23 C4_23 F9_23 109.7(19) . .
F7_23 C4_23 F8_23 105.3(18) . .
F9_23 C4_23 F8_23 107.2(18) . .
F7_23 C4_23 C1_23 117(2) . .
F9_23 C4_23 C1_23 107.2(17) . .
F8_23 C4_23 C1_23 110.3(19) . .
C1_49 O1_49 Al2 170.3(11) . .
O1_49 C1_49 C2_49 113.4(12) . .
O1_49 C1_49 C3_49 109.4(10) . .
C2_49 C1_49 C3_49 106.8(10) . .
O1_49 C1_49 C4_49 107.7(10) . .
C2_49 C1_49 C4_49 109.9(10) . .
C3_49 C1_49 C4_49 109.6(9) . .
F1_49 C2_49 F3_49 113.9(15) . .
F1_49 C2_49 F2_49 104.3(13) . .
F3_49 C2_49 F2_49 112.1(15) . .
F1_49 C2_49 C1_49 108.4(13) . .
F3_49 C2_49 C1_49 109.4(11) . .
F2_49 C2_49 C1_49 108.4(12) . .
F6_49 C3_49 F4_49 106.5(13) . .
F6_49 C3_49 F5_49 109.0(11) . .
F4_49 C3_49 F5_49 107.0(12) . .
F6_49 C3_49 C1_49 113.7(11) . .
F4_49 C3_49 C1_49 109.1(11) . .
F5_49 C3_49 C1_49 111.2(10) . .
F7_49 C4_49 F8_49 113.2(13) . .
F7_49 C4_49 F9_49 103.1(10) . .
F8_49 C4_49 F9_49 105.1(11) . .
F7_49 C4_49 C1_49 111.6(10) . .
F8_49 C4_49 C1_49 111.1(10) . .
F9_49 C4_49 C1_49 112.4(10) . .
C1_7 O1_7 Al2 146.3(15) . .
O1_7 C1_7 C4_7 118.0(14) . .
O1_7 C1_7 C2_7 109.0(13) . .
C4_7 C1_7 C2_7 113.7(14) . .
O1_7 C1_7 C3_7 109.9(14) . .
C4_7 C1_7 C3_7 101.2(12) . .
C2_7 C1_7 C3_7 103.8(12) . .
F2_7 C2_7 F1_7 110.7(17) . .
F2_7 C2_7 F3_7 104.3(16) . .
F1_7 C2_7 F3_7 108.7(17) . .
F2_7 C2_7 C1_7 109.0(15) . .
F1_7 C2_7 C1_7 114.7(19) . .
F3_7 C2_7 C1_7 108.8(16) . .
F5_7 C3_7 F6_7 109.9(16) . .
F5_7 C3_7 F4_7 101.6(16) . .
F6_7 C3_7 F4_7 129.9(18) . .
F5_7 C3_7 C1_7 110.3(16) . .
F6_7 C3_7 C1_7 106.7(13) . .
F4_7 C3_7 C1_7 97.1(15) . .
F9_7 C4_7 F8_7 97.5(15) . .
F9_7 C4_7 F7_7 121.8(19) . .
F8_7 C4_7 F7_7 101.0(15) . .
F9_7 C4_7 C1_7 106.8(15) . .
F8_7 C4_7 C1_7 125.6(18) . .
F7_7 C4_7 C1_7 105.7(15) . .
C1_8 O1_8 Al2 151.7(18) . .
O1_8 C1_8 C2_8 109.1(14) . .
O1_8 C1_8 C4_8 108.5(13) . .
C2_8 C1_8 C4_8 110.2(11) . .
O1_8 C1_8 C3_8 109.4(13) . .
C2_8 C1_8 C3_8 110.2(11) . .
C4_8 C1_8 C3_8 109.3(12) . .
F3_8 C2_8 F1_8 110.6(16) . .
F3_8 C2_8 F2_8 107.1(15) . .
F1_8 C2_8 F2_8 104.7(15) . .
F3_8 C2_8 C1_8 107.7(15) . .
F1_8 C2_8 C1_8 110.3(13) . .
F2_8 C2_8 C1_8 116.3(17) . .
F6_8 C3_8 F4_8 104.5(13) . .
F6_8 C3_8 F5_8 108.5(13) . .
F4_8 C3_8 F5_8 106.9(13) . .
F6_8 C3_8 C1_8 113.9(13) . .
F4_8 C3_8 C1_8 111.9(12) . .
F5_8 C3_8 C1_8 110.8(13) . .
F8_8 C4_8 F7_8 103.3(15) . .
F8_8 C4_8 F9_8 108.4(14) . .
F7_8 C4_8 F9_8 108.4(14) . .
F8_8 C4_8 C1_8 114.4(13) . .
F7_8 C4_8 C1_8 112.2(15) . .
F9_8 C4_8 C1_8 109.8(13) . .
C1_22 O1_22 Al2 151(2) . .
O1_22 C1_22 C2_22 111.7(16) . .
O1_22 C1_22 C4_22 109.6(15) . .
C2_22 C1_22 C4_22 107.5(12) . .
O1_22 C1_22 C3_22 110.0(15) . .
C2_22 C1_22 C3_22 108.4(12) . .
C4_22 C1_22 C3_22 109.6(13) . .
F3_22 C2_22 F1_22 106.5(17) . .
F3_22 C2_22 F2_22 105.8(18) . .
F1_22 C2_22 F2_22 106.2(17) . .
F3_22 C2_22 C1_22 115(2) . .
F1_22 C2_22 C1_22 112.8(16) . .
F2_22 C2_22 C1_22 110.2(19) . .
F4_22 C3_22 F6_22 105.1(16) . .
F4_22 C3_22 F5_22 106.7(16) . .
F6_22 C3_22 F5_22 111.6(16) . .
F4_22 C3_22 C1_22 108.9(16) . .
F6_22 C3_22 C1_22 112.1(15) . .
F5_22 C3_22 C1_22 112.0(16) . .
F8_22 C4_22 F7_22 105.5(17) . .
F8_22 C4_22 F9_22 107.8(16) . .
F7_22 C4_22 F9_22 110.6(17) . .
F8_22 C4_22 C1_22 111.6(16) . .
F7_22 C4_22 C1_22 110.2(18) . .
F9_22 C4_22 C1_22 111.0(16) . .
C1_9 O1_9 Al2 155.0(15) . .
O1_9 C1_9 C4_9 112.0(12) . .
O1_9 C1_9 C2_9 107.2(13) . .
C4_9 C1_9 C2_9 111.5(13) . .
O1_9 C1_9 C3_9 98.3(12) . .
C4_9 C1_9 C3_9 114.6(13) . .
C2_9 C1_9 C3_9 112.3(12) . .
F3_9 C2_9 F1_9 100.3(15) . .
F3_9 C2_9 F2_9 115.3(17) . .
F1_9 C2_9 F2_9 112.2(17) . .
F3_9 C2_9 C1_9 113.8(15) . .
F1_9 C2_9 C1_9 118.8(17) . .
F2_9 C2_9 C1_9 97.4(14) . .
F6_9 C3_9 F5_9 111.0(15) . .
F6_9 C3_9 F4_9 110.2(17) . .
F5_9 C3_9 F4_9 103.3(16) . .
F6_9 C3_9 C1_9 117.2(15) . .
F5_9 C3_9 C1_9 107.4(14) . .
F4_9 C3_9 C1_9 106.7(16) . .
F8_9 C4_9 F7_9 96.2(15) . .
F8_9 C4_9 F9_9 96.1(14) . .
F7_9 C4_9 F9_9 122.4(18) . .
F8_9 C4_9 C1_9 120.5(17) . .
F7_9 C4_9 C1_9 113.6(15) . .
F9_9 C4_9 C1_9 107.3(14) . .
O1_11 Al3 O1_13 106.3(9) . .
O1_25 Al3 O1_13 104.6(9) . .
O1_11 Al3 O1_12 111.5(9) . .
O1_13 Al3 O1_12 106.4(7) . .
O1_11 Al3 O1_10 108.5(9) . .
O1_13 Al3 O1_10 116.7(8) . .
O1_12 Al3 O1_10 107.5(10) . .
O1_25 Al3 O1_42 115.0(11) . .
O1_13 Al3 O1_42 109.9(9) . .
O1_25 Al3 O1_24 111.4(9) . .
O1_13 Al3 O1_24 112.3(9) . .
O1_42 Al3 O1_24 103.8(11) . .
C1_10 O1_10 Al3 149.6(14) . .
O1_10 C1_10 C2_10 107.6(12) . .
O1_10 C1_10 C3_10 101.7(12) . .
C2_10 C1_10 C3_10 127.8(14) . .
O1_10 C1_10 C4_10 110.5(14) . .
C2_10 C1_10 C4_10 103.6(11) . .
C3_10 C1_10 C4_10 105.1(11) . .
F3_10 C2_10 F2_10 105.8(13) . .
F3_10 C2_10 F1_10 101.5(14) . .
F2_10 C2_10 F1_10 102.3(13) . .
F3_10 C2_10 C1_10 113.8(13) . .
F2_10 C2_10 C1_10 121.4(14) . .
F1_10 C2_10 C1_10 109.7(14) . .
F5_10 C3_10 F6_10 108.0(14) . .
F5_10 C3_10 F4_10 101.6(14) . .
F6_10 C3_10 F4_10 99.5(13) . .
F5_10 C3_10 C1_10 110.6(14) . .
F6_10 C3_10 C1_10 116.7(13) . .
F4_10 C3_10 C1_10 118.8(13) . .
F9_10 C4_10 F8_10 106.2(14) . .
F9_10 C4_10 F7_10 105.3(15) . .
F8_10 C4_10 F7_10 108.8(14) . .
F9_10 C4_10 C1_10 111.7(14) . .
F8_10 C4_10 C1_10 117.0(13) . .
F7_10 C4_10 C1_10 107.3(13) . .
C1_25 O1_25 Al3 157.3(16) . .
O1_25 C1_25 C2_25 107.6(12) . .
O1_25 C1_25 C4_25 112.7(14) . .
C2_25 C1_25 C4_25 111.3(12) . .
O1_25 C1_25 C3_25 109.8(13) . .
C2_25 C1_25 C3_25 122.6(14) . .
C4_25 C1_25 C3_25 92.1(10) . .
F2_25 C2_25 F3_25 106.4(14) . .
F2_25 C2_25 F1_25 101.7(14) . .
F3_25 C2_25 F1_25 101.7(13) . .
F2_25 C2_25 C1_25 114.0(14) . .
F3_25 C2_25 C1_25 119.7(14) . .
F1_25 C2_25 C1_25 111.1(14) . .
F5_25 C3_25 F4_25 109.1(15) . .
F5_25 C3_25 F6_25 108.2(14) . .
F4_25 C3_25 F6_25 106.5(14) . .
F5_25 C3_25 C1_25 103.8(14) . .
F4_25 C3_25 C1_25 112.6(14) . .
F6_25 C3_25 C1_25 116.4(13) . .
C3_25 F6_25 F8_25 92.1(11) . .
F9_25 C4_25 F8_25 112.7(15) . .
F9_25 C4_25 F7_25 115.6(16) . .
F8_25 C4_25 F7_25 107.5(14) . .
F9_25 C4_25 C1_25 111.9(15) . .
F8_25 C4_25 C1_25 104.0(12) . .
F7_25 C4_25 C1_25 104.3(13) . .
C4_25 F8_25 F6_25 107.3(12) . .
C1_11 O1_11 Al3 146.9(15) . .
O1_11 C1_11 C3_11 105.9(12) . .
O1_11 C1_11 C2_11 106.9(12) . .
C3_11 C1_11 C2_11 113.6(11) . .
O1_11 C1_11 C4_11 109.2(12) . .
C3_11 C1_11 C4_11 110.6(11) . .
C2_11 C1_11 C4_11 110.4(11) . .
F2_11 C2_11 F1_11 107.3(12) . .
F2_11 C2_11 F3_11 109.6(13) . .
F1_11 C2_11 F3_11 106.6(12) . .
F2_11 C2_11 C1_11 109.0(12) . .
F1_11 C2_11 C1_11 112.9(12) . .
F3_11 C2_11 C1_11 111.3(13) . .
F4_11 C3_11 F6_11 107.3(13) . .
F4_11 C3_11 F5_11 105.4(13) . .
F6_11 C3_11 F5_11 110.5(13) . .
F4_11 C3_11 C1_11 111.7(13) . .
F6_11 C3_11 C1_11 110.2(12) . .
F5_11 C3_11 C1_11 111.6(12) . .
F8_11 C4_11 F7_11 107.5(13) . .
F8_11 C4_11 F9_11 106.9(13) . .
F7_11 C4_11 F9_11 107.3(14) . .
F8_11 C4_11 C1_11 111.6(13) . .
F7_11 C4_11 C1_11 111.4(13) . .
F9_11 C4_11 C1_11 112.0(12) . .
C1_24 O1_24 Al3 150.1(16) . .
O1_24 C1_24 C4_24 114.2(13) . .
O1_24 C1_24 C3_24 111.7(14) . .
C4_24 C1_24 C3_24 107.4(11) . .
O1_24 C1_24 C2_24 110.5(13) . .
C4_24 C1_24 C2_24 106.2(12) . .
C3_24 C1_24 C2_24 106.5(11) . .
F1_24 C2_24 F3_24 107.4(14) . .
F1_24 C2_24 F2_24 107.4(14) . .
F3_24 C2_24 F2_24 107.3(13) . .
F1_24 C2_24 C1_24 108.9(13) . .
F3_24 C2_24 C1_24 110.5(13) . .
F2_24 C2_24 C1_24 115.0(13) . .
F5_24 C3_24 F4_24 103.6(13) . .
F5_24 C3_24 F6_24 108.3(14) . .
F4_24 C3_24 F6_24 106.4(13) . .
F5_24 C3_24 C1_24 112.8(13) . .
F4_24 C3_24 C1_24 111.9(13) . .
F6_24 C3_24 C1_24 113.3(12) . .
F7_24 C4_24 F8_24 105.7(14) . .
F7_24 C4_24 F9_24 106.5(13) . .
F8_24 C4_24 F9_24 107.0(13) . .
F7_24 C4_24 C1_24 110.6(13) . .
F8_24 C4_24 C1_24 114.7(13) . .
F9_24 C4_24 C1_24 111.7(13) . .
C1_42 O1_42 Al3 149.4(18) . .
O1_42 C1_42 C3_42 112.1(13) . .
O1_42 C1_42 C4_42 109.4(14) . .
C3_42 C1_42 C4_42 108.6(13) . .
O1_42 C1_42 C2_42 112.6(14) . .
C3_42 C1_42 C2_42 109.4(13) . .
C4_42 C1_42 C2_42 104.4(11) . .
F3_42 C2_42 F2_42 106.4(15) . .
F3_42 C2_42 F1_42 108.0(16) . .
F2_42 C2_42 F1_42 106.3(15) . .
F3_42 C2_42 C1_42 109.0(15) . .
F2_42 C2_42 C1_42 117.8(15) . .
F1_42 C2_42 C1_42 109.0(14) . .
F6_42 C3_42 F5_42 105.9(17) . .
F6_42 C3_42 F4_42 107.3(15) . .
F5_42 C3_42 F4_42 105.6(16) . .
F6_42 C3_42 C1_42 114.1(15) . .
F5_42 C3_42 C1_42 110(2) . .
F4_42 C3_42 C1_42 113.2(15) . .
F7_42 C4_42 F9_42 106.1(16) . .
F7_42 C4_42 F8_42 107.6(15) . .
F9_42 C4_42 F8_42 107.7(16) . .
F7_42 C4_42 C1_42 112.2(17) . .
F9_42 C4_42 C1_42 115.0(18) . .
F8_42 C4_42 C1_42 107.9(16) . .
C1_12 O1_12 Al3 144.6(13) . .
O1_12 C1_12 C2_12 110.8(12) . .
O1_12 C1_12 C3_12 104.9(12) . .
C2_12 C1_12 C3_12 110.9(11) . .
O1_12 C1_12 C4_12 108.3(11) . .
C2_12 C1_12 C4_12 110.5(12) . .
C3_12 C1_12 C4_12 111.3(11) . .
F2_12 C2_12 F1_12 108.1(14) . .
F2_12 C2_12 F3_12 107.5(13) . .
F1_12 C2_12 F3_12 108.7(14) . .
F2_12 C2_12 C1_12 110.9(13) . .
F1_12 C2_12 C1_12 111.1(16) . .
F3_12 C2_12 C1_12 110.4(12) . .
F4_12 C3_12 F6_12 105.9(13) . .
F4_12 C3_12 F5_12 107.1(13) . .
F6_12 C3_12 F5_12 107.4(12) . .
F4_12 C3_12 C1_12 110.5(15) . .
F6_12 C3_12 C1_12 117.0(14) . .
F5_12 C3_12 C1_12 108.6(14) . .
F7_12 C4_12 F9_12 109.5(13) . .
F7_12 C4_12 F8_12 107.4(13) . .
F9_12 C4_12 F8_12 106.4(13) . .
F7_12 C4_12 C1_12 110.3(12) . .
F9_12 C4_12 C1_12 112.1(13) . .
F8_12 C4_12 C1_12 110.9(12) . .
C1_13 O1_13 Al3 153.9(9) . .
O1_13 C1_13 C2_13 111.6(9) . .
O1_13 C1_13 C4_13 109.5(10) . .
C2_13 C1_13 C4_13 109.6(9) . .
O1_13 C1_13 C3_13 109.3(10) . .
C2_13 C1_13 C3_13 107.7(9) . .
C4_13 C1_13 C3_13 109.1(9) . .
F3_13 C2_13 F1_13 106.5(10) . .
F3_13 C2_13 F2_13 108.7(10) . .
F1_13 C2_13 F2_13 107.4(10) . .
F3_13 C2_13 C1_13 112.5(9) . .
F1_13 C2_13 C1_13 108.3(10) . .
F2_13 C2_13 C1_13 113.1(9) . .
F6_13 C3_13 F5_13 107.3(11) . .
F6_13 C3_13 F4_13 110.1(11) . .
F5_13 C3_13 F4_13 107.9(10) . .
F6_13 C3_13 C1_13 112.0(10) . .
F5_13 C3_13 C1_13 110.8(9) . .
F4_13 C3_13 C1_13 108.7(11) . .
F7_13 C4_13 F9_13 109.3(12) . .
F7_13 C4_13 F8_13 105.3(11) . .
F9_13 C4_13 F8_13 105.4(10) . .
F7_13 C4_13 C1_13 111.6(10) . .
F9_13 C4_13 C1_13 110.7(10) . .
F8_13 C4_13 C1_13 114.1(10) . .
O1_15 Al4 O1_17 110.1(5) . .
O1_15 Al4 O1_14 108.8(9) . .
O1_17 Al4 O1_14 110.0(8) . .
O1_15 Al4 O1_48 114.2(11) . .
O1_17 Al4 O1_48 101.1(11) . .
O1_15 Al4 O1_16 107.5(5) . .
O1_17 Al4 O1_16 112.3(5) . .
O1_14 Al4 O1_16 108.0(8) . .
O1_48 Al4 O1_16 111.6(11) . .
C1_14 O1_14 Al4 144.9(16) . .
O1_14 C1_14 C4_14 107.2(13) . .
O1_14 C1_14 C2_14 109.4(14) . .
C4_14 C1_14 C2_14 109.5(12) . .
O1_14 C1_14 C3_14 111.6(14) . .
C4_14 C1_14 C3_14 110.9(13) . .
C2_14 C1_14 C3_14 108.3(12) . .
F3_14 C2_14 F1_14 103.7(14) . .
F3_14 C2_14 F2_14 107.8(14) . .
F1_14 C2_14 F2_14 107.3(14) . .
F3_14 C2_14 C1_14 109.8(14) . .
F1_14 C2_14 C1_14 112.1(13) . .
F2_14 C2_14 C1_14 115.5(15) . .
F4_14 C3_14 F5_14 108.5(14) . .
F4_14 C3_14 F6_14 107.7(13) . .
F5_14 C3_14 F6_14 107.4(14) . .
F4_14 C3_14 C1_14 109.9(14) . .
F5_14 C3_14 C1_14 111.2(13) . .
F6_14 C3_14 C1_14 112.0(14) . .
F7_14 C4_14 F9_14 106.5(14) . .
F7_14 C4_14 F8_14 107.1(15) . .
F9_14 C4_14 F8_14 106.5(13) . .
F7_14 C4_14 C1_14 109.1(14) . .
F9_14 C4_14 C1_14 114.1(14) . .
F8_14 C4_14 C1_14 113.1(14) . .
C1_48 O1_48 Al4 155(2) . .
O1_48 C1_48 C3_48 109.2(16) . .
O1_48 C1_48 C4_48 110.5(16) . .
C3_48 C1_48 C4_48 110.9(15) . .
O1_48 C1_48 C2_48 109.1(16) . .
C3_48 C1_48 C2_48 109.3(14) . .
C4_48 C1_48 C2_48 107.8(14) . .
F3_48 C2_48 F2_48 109.8(18) . .
F3_48 C2_48 F1_48 108.2(17) . .
F2_48 C2_48 F1_48 103.3(15) . .
F3_48 C2_48 C1_48 113.6(18) . .
F2_48 C2_48 C1_48 111.1(17) . .
F1_48 C2_48 C1_48 110.4(17) . .
F4_48 C3_48 F5_48 107.6(17) . .
F4_48 C3_48 F6_48 104.7(16) . .
F5_48 C3_48 F6_48 105.9(16) . .
F4_48 C3_48 C1_48 113.5(17) . .
F5_48 C3_48 C1_48 112.8(19) . .
F6_48 C3_48 C1_48 111.7(17) . .
F7_48 C4_48 F9_48 104.3(16) . .
F7_48 C4_48 F8_48 107.3(17) . .
F9_48 C4_48 F8_48 104.0(17) . .
F7_48 C4_48 C1_48 113.7(18) . .
F9_48 C4_48 C1_48 114.5(17) . .
F8_48 C4_48 C1_48 112.2(19) . .
C1_15 O1_15 Al4 150.9(10) . .
O1_15 C1_15 C3_15 110.8(10) . .
O1_15 C1_15 C4_15 110.0(10) . .
C3_15 C1_15 C4_15 112.5(10) . .
O1_15 C1_15 C2_15 109.8(10) . .
C3_15 C1_15 C2_15 105.6(10) . .
C4_15 C1_15 C2_15 107.8(10) . .
F1_15 C2_15 F2_15 106.8(11) . .
F1_15 C2_15 F3_15 109.1(12) . .
F2_15 C2_15 F3_15 106.2(11) . .
F1_15 C2_15 C1_15 111.3(11) . .
F2_15 C2_15 C1_15 112.6(11) . .
F3_15 C2_15 C1_15 110.7(11) . .
F5_15 C3_15 F6_15 109.5(11) . .
F5_15 C3_15 F4_15 106.3(10) . .
F6_15 C3_15 F4_15 101.3(11) . .
F5_15 C3_15 C1_15 113.9(10) . .
F6_15 C3_15 C1_15 115.4(10) . .
F4_15 C3_15 C1_15 109.4(10) . .
F9_15 C4_15 F8_15 104.9(10) . .
F9_15 C4_15 F7_15 109.1(11) . .
F8_15 C4_15 F7_15 115.5(12) . .
F9_15 C4_15 C1_15 111.1(10) . .
F8_15 C4_15 C1_15 109.4(11) . .
F7_15 C4_15 C1_15 106.8(11) . .
C1_16 O1_16 Al4 149.5(8) . .
O1_16 C1_16 C3_16 111.1(9) . .
O1_16 C1_16 C2_16 110.0(9) . .
C3_16 C1_16 C2_16 108.9(9) . .
O1_16 C1_16 C4_16 107.7(9) . .
C3_16 C1_16 C4_16 109.1(9) . .
C2_16 C1_16 C4_16 110.0(9) . .
F3_16 C2_16 F1_16 106.0(9) . .
F3_16 C2_16 F2_16 108.5(9) . .
F1_16 C2_16 F2_16 107.2(10) . .
F3_16 C2_16 C1_16 111.9(9) . .
F1_16 C2_16 C1_16 112.0(9) . .
F2_16 C2_16 C1_16 111.0(9) . .
F5_16 C3_16 F6_16 107.1(9) . .
F5_16 C3_16 F4_16 108.0(9) . .
F6_16 C3_16 F4_16 106.7(9) . .
F5_16 C3_16 C1_16 110.1(9) . .
F6_16 C3_16 C1_16 114.2(10) . .
F4_16 C3_16 C1_16 110.5(9) . .
F8_16 C4_16 F7_16 107.7(9) . .
F8_16 C4_16 F9_16 106.1(10) . .
F7_16 C4_16 F9_16 106.6(10) . .
F8_16 C4_16 C1_16 113.5(10) . .
F7_16 C4_16 C1_16 111.8(9) . .
F9_16 C4_16 C1_16 110.9(9) . .
C1_17 O1_17 Al4 149.6(8) . .
O1_17 C1_17 C2_17 107.7(9) . .
O1_17 C1_17 C4_17 110.2(9) . .
C2_17 C1_17 C4_17 112.6(9) . .
O1_17 C1_17 C3_17 108.7(9) . .
C2_17 C1_17 C3_17 110.3(10) . .
C4_17 C1_17 C3_17 107.4(9) . .
F2_17 C2_17 F1_17 105.4(11) . .
F2_17 C2_17 F3_17 109.6(10) . .
F1_17 C2_17 F3_17 109.2(10) . .
F2_17 C2_17 C1_17 110.6(10) . .
F1_17 C2_17 C1_17 109.2(10) . .
F3_17 C2_17 C1_17 112.5(9) . .
F5_17 C3_17 F6_17 107.2(10) . .
F5_17 C3_17 F4_17 113.0(11) . .
F6_17 C3_17 F4_17 108.1(11) . .
F5_17 C3_17 C1_17 110.0(10) . .
F6_17 C3_17 C1_17 108.7(10) . .
F4_17 C3_17 C1_17 109.7(10) . .
F7_17 C4_17 F8_17 110.3(9) . .
F7_17 C4_17 F9_17 105.4(9) . .
F8_17 C4_17 F9_17 107.7(9) . .
F7_17 C4_17 C1_17 113.7(9) . .
F8_17 C4_17 C1_17 112.9(9) . .
F9_17 C4_17 C1_17 106.3(9) . .
O1_20 Al5 O1_18 107.7(5) . .
O1_20 Al5 O1_21 114.8(5) . .
O1_18 Al5 O1_21 109.2(5) . .
O1_20 Al5 O1_19 106.5(4) . .
O1_18 Al5 O1_19 111.6(4) . .
O1_21 Al5 O1_19 107.0(4) . .
C1_18 O1_18 Al5 149.0(8) . .
O1_18 C1_18 C3_18 111.0(9) . .
O1_18 C1_18 C2_18 108.3(9) . .
C3_18 C1_18 C2_18 108.9(9) . .
O1_18 C1_18 C4_18 111.0(9) . .
C3_18 C1_18 C4_18 107.8(9) . .
C2_18 C1_18 C4_18 109.8(9) . .
F3_18 C2_18 F2_18 107.8(10) . .
F3_18 C2_18 F1_18 107.8(10) . .
F2_18 C2_18 F1_18 105.7(10) . .
F3_18 C2_18 C1_18 112.0(9) . .
F2_18 C2_18 C1_18 113.0(10) . .
F1_18 C2_18 C1_18 110.1(9) . .
F4_18 C3_18 F6_18 106.9(9) . .
F4_18 C3_18 F5_18 106.3(10) . .
F6_18 C3_18 F5_18 108.9(9) . .
F4_18 C3_18 C1_18 110.1(9) . .
F6_18 C3_18 C1_18 113.8(9) . .
F5_18 C3_18 C1_18 110.5(9) . .
F9_18 C4_18 F8_18 107.3(9) . .
F9_18 C4_18 F7_18 106.5(10) . .
F8_18 C4_18 F7_18 106.9(9) . .
F9_18 C4_18 C1_18 110.8(9) . .
F8_18 C4_18 C1_18 113.6(9) . .
F7_18 C4_18 C1_18 111.4(9) . .
C1_19 O1_19 Al5 148.3(7) . .
O1_19 C1_19 C3_19 112.6(8) . .
O1_19 C1_19 C4_19 107.0(8) . .
C3_19 C1_19 C4_19 108.7(8) . .
O1_19 C1_19 C2_19 111.0(8) . .
C3_19 C1_19 C2_19 108.8(8) . .
C4_19 C1_19 C2_19 108.7(8) . .
F2_19 C2_19 F3_19 108.8(8) . .
F2_19 C2_19 F1_19 107.0(8) . .
F3_19 C2_19 F1_19 105.4(8) . .
F2_19 C2_19 C1_19 113.7(8) . .
F3_19 C2_19 C1_19 110.7(8) . .
F1_19 C2_19 C1_19 110.9(8) . .
F4_19 C3_19 F5_19 107.2(8) . .
F4_19 C3_19 F6_19 107.7(8) . .
F5_19 C3_19 F6_19 105.8(8) . .
F4_19 C3_19 C1_19 111.4(8) . .
F5_19 C3_19 C1_19 111.1(8) . .
F6_19 C3_19 C1_19 113.3(8) . .
F9_19 C4_19 F7_19 107.0(8) . .
F9_19 C4_19 F8_19 106.5(8) . .
F7_19 C4_19 F8_19 106.0(8) . .
F9_19 C4_19 C1_19 112.1(8) . .
F7_19 C4_19 C1_19 112.2(8) . .
F8_19 C4_19 C1_19 112.6(8) . .
C1_20 O1_20 Al5 147.1(7) . .
O1_20 C1_20 C3_20 106.9(8) . .
O1_20 C1_20 C2_20 109.7(8) . .
C3_20 C1_20 C2_20 111.5(9) . .
O1_20 C1_20 C4_20 106.9(8) . .
C3_20 C1_20 C4_20 110.6(8) . .
C2_20 C1_20 C4_20 111.0(8) . .
F1_20 C2_20 F3_20 107.8(9) . .
F1_20 C2_20 F2_20 108.4(9) . .
F3_20 C2_20 F2_20 107.1(9) . .
F1_20 C2_20 C1_20 111.6(9) . .
F3_20 C2_20 C1_20 110.2(8) . .
F2_20 C2_20 C1_20 111.6(9) . .
F5_20 C3_20 F6_20 107.6(8) . .
F5_20 C3_20 F4_20 106.6(8) . .
F6_20 C3_20 F4_20 106.7(8) . .
F5_20 C3_20 C1_20 112.5(8) . .
F6_20 C3_20 C1_20 111.4(9) . .
F4_20 C3_20 C1_20 111.6(8) . .
F9_20 C4_20 F7_20 108.4(9) . .
F9_20 C4_20 F8_20 106.5(8) . .
F7_20 C4_20 F8_20 107.1(9) . .
F9_20 C4_20 C1_20 111.3(8) . .
F7_20 C4_20 C1_20 112.7(9) . .
F8_20 C4_20 C1_20 110.6(9) . .
C1_21 O1_21 Al5 148.9(8) . .
O1_21 C1_21 C3_21 108.5(9) . .
O1_21 C1_21 C2_21 110.7(9) . .
C3_21 C1_21 C2_21 110.6(10) . .
O1_21 C1_21 C4_21 108.7(9) . .
C3_21 C1_21 C4_21 109.0(9) . .
C2_21 C1_21 C4_21 109.2(9) . .
F3_21 C2_21 F2_21 107.1(9) . .
F3_21 C2_21 F1_21 105.9(9) . .
F2_21 C2_21 F1_21 104.9(9) . .
F3_21 C2_21 C1_21 113.2(9) . .
F2_21 C2_21 C1_21 114.0(9) . .
F1_21 C2_21 C1_21 111.2(9) . .
F4_21 C3_21 F6_21 108.6(10) . .
F4_21 C3_21 F5_21 105.1(11) . .
F6_21 C3_21 F5_21 106.4(10) . .
F4_21 C3_21 C1_21 113.0(10) . .
F6_21 C3_21 C1_21 113.8(9) . .
F5_21 C3_21 C1_21 109.4(10) . .
F9_21 C4_21 F8_21 110.3(10) . .
F9_21 C4_21 F7_21 104.7(10) . .
F8_21 C4_21 F7_21 107.7(9) . .
F9_21 C4_21 C1_21 112.2(9) . .
F8_21 C4_21 C1_21 110.0(9) . .
F7_21 C4_21 C1_21 111.7(10) . .
O1_26 Al6 O1_27 106.7(4) . .
O1_26 Al6 O1_28 107.7(5) . .
O1_27 Al6 O1_28 111.3(5) . .
O1_26 Al6 O1_29 113.3(4) . .
O1_27 Al6 O1_29 107.4(4) . .
O1_28 Al6 O1_29 110.3(4) . .
C1_26 O1_26 Al6 150.8(8) . .
O1_26 C1_26 C4_26 108.8(8) . .
O1_26 C1_26 C3_26 110.1(8) . .
C4_26 C1_26 C3_26 109.0(8) . .
O1_26 C1_26 C2_26 109.9(8) . .
C4_26 C1_26 C2_26 109.7(8) . .
C3_26 C1_26 C2_26 109.3(9) . .
F3_26 C2_26 F2_26 105.9(10) . .
F3_26 C2_26 F1_26 107.3(10) . .
F2_26 C2_26 F1_26 108.1(10) . .
F3_26 C2_26 C1_26 113.1(9) . .
F2_26 C2_26 C1_26 111.2(9) . .
F1_26 C2_26 C1_26 111.0(9) . .
F5_26 C3_26 F4_26 106.3(9) . .
F5_26 C3_26 F6_26 106.5(9) . .
F4_26 C3_26 F6_26 106.8(9) . .
F5_26 C3_26 C1_26 111.0(8) . .
F4_26 C3_26 C1_26 113.5(9) . .
F6_26 C3_26 C1_26 112.3(9) . .
F8_26 C4_26 F9_26 108.9(9) . .
F8_26 C4_26 F7_26 105.3(8) . .
F9_26 C4_26 F7_26 106.3(9) . .
F8_26 C4_26 C1_26 113.8(9) . .
F9_26 C4_26 C1_26 111.8(8) . .
F7_26 C4_26 C1_26 110.2(9) . .
C1_27 O1_27 Al6 150.7(8) . .
O1_27 C1_27 C3_27 112.0(8) . .
O1_27 C1_27 C4_27 107.7(8) . .
C3_27 C1_27 C4_27 108.8(8) . .
O1_27 C1_27 C2_27 111.0(8) . .
C3_27 C1_27 C2_27 108.2(8) . .
C4_27 C1_27 C2_27 109.2(8) . .
F2_27 C2_27 F1_27 106.6(9) . .
F2_27 C2_27 F3_27 107.3(8) . .
F1_27 C2_27 F3_27 107.1(8) . .
F2_27 C2_27 C1_27 110.7(8) . .
F1_27 C2_27 C1_27 111.1(8) . .
F3_27 C2_27 C1_27 113.7(8) . .
F5_27 C3_27 F4_27 106.8(8) . .
F5_27 C3_27 F6_27 107.4(8) . .
F4_27 C3_27 F6_27 105.6(8) . .
F5_27 C3_27 C1_27 112.4(8) . .
F4_27 C3_27 C1_27 110.7(8) . .
F6_27 C3_27 C1_27 113.5(8) . .
F8_27 C4_27 F9_27 107.8(8) . .
F8_27 C4_27 F7_27 106.4(8) . .
F9_27 C4_27 F7_27 104.4(8) . .
F8_27 C4_27 C1_27 111.9(8) . .
F9_27 C4_27 C1_27 113.5(8) . .
F7_27 C4_27 C1_27 112.2(8) . .
C1_28 O1_28 Al6 145.6(7) . .
O1_28 C1_28 C3_28 111.4(8) . .
O1_28 C1_28 C2_28 111.9(8) . .
C3_28 C1_28 C2_28 109.4(9) . .
O1_28 C1_28 C4_28 107.0(8) . .
C3_28 C1_28 C4_28 109.1(8) . .
C2_28 C1_28 C4_28 107.9(8) . .
F2_28 C2_28 F3_28 107.0(9) . .
F2_28 C2_28 F1_28 109.1(9) . .
F3_28 C2_28 F1_28 106.9(9) . .
F2_28 C2_28 C1_28 109.8(8) . .
F3_28 C2_28 C1_28 113.4(9) . .
F1_28 C2_28 C1_28 110.5(9) . .
F4_28 C3_28 F6_28 107.0(9) . .
F4_28 C3_28 F5_28 108.4(9) . .
F6_28 C3_28 F5_28 107.6(9) . .
F4_28 C3_28 C1_28 110.7(9) . .
F6_28 C3_28 C1_28 110.5(9) . .
F5_28 C3_28 C1_28 112.4(9) . .
F7_28 C4_28 F9_28 107.1(8) . .
F7_28 C4_28 F8_28 108.0(9) . .
F9_28 C4_28 F8_28 107.1(9) . .
F7_28 C4_28 C1_28 112.6(8) . .
F9_28 C4_28 C1_28 111.0(8) . .
F8_28 C4_28 C1_28 110.8(8) . .
C1_29 O1_29 Al6 147.6(7) . .
O1_29 C1_29 C2_29 109.1(8) . .
O1_29 C1_29 C3_29 108.1(9) . .
C2_29 C1_29 C3_29 110.1(8) . .
O1_29 C1_29 C4_29 110.0(8) . .
C2_29 C1_29 C4_29 109.7(9) . .
C3_29 C1_29 C4_29 109.8(8) . .
F1_29 C2_29 F2_29 106.7(9) . .
F1_29 C2_29 F3_29 106.0(9) . .
F2_29 C2_29 F3_29 107.0(9) . .
F1_29 C2_29 C1_29 112.5(9) . .
F2_29 C2_29 C1_29 111.8(9) . .
F3_29 C2_29 C1_29 112.5(9) . .
F4_29 C3_29 F6_29 109.0(9) . .
F4_29 C3_29 F5_29 110.5(9) . .
F6_29 C3_29 F5_29 105.3(9) . .
F4_29 C3_29 C1_29 109.9(9) . .
F6_29 C3_29 C1_29 111.9(9) . .
F5_29 C3_29 C1_29 110.1(9) . .
F8_29 C4_29 F7_29 107.2(10) . .
F8_29 C4_29 F9_29 108.5(10) . .
F7_29 C4_29 F9_29 109.2(10) . .
F8_29 C4_29 C1_29 111.2(9) . .
F7_29 C4_29 C1_29 110.8(9) . .
F9_29 C4_29 C1_29 109.7(9) . .
O1_30 Al7 O1_33 107.1(4) . .
O1_30 Al7 O1_31 110.5(5) . .
O1_33 Al7 O1_31 113.9(4) . .
O1_30 Al7 O1_32 112.6(4) . .
O1_33 Al7 O1_32 106.5(4) . .
O1_31 Al7 O1_32 106.3(4) . .
C1_30 O1_30 Al7 147.4(7) . .
O1_30 C1_30 C4_30 106.7(8) . .
O1_30 C1_30 C2_30 111.4(8) . .
C4_30 C1_30 C2_30 110.3(9) . .
O1_30 C1_30 C3_30 108.0(8) . .
C4_30 C1_30 C3_30 109.8(8) . .
C2_30 C1_30 C3_30 110.5(9) . .
F1_30 C2_30 F3_30 106.7(9) . .
F1_30 C2_30 F2_30 108.6(10) . .
F3_30 C2_30 F2_30 105.8(9) . .
F1_30 C2_30 C1_30 113.1(9) . .
F3_30 C2_30 C1_30 112.0(9) . .
F2_30 C2_30 C1_30 110.3(9) . .
F4_30 C3_30 F5_30 107.6(9) . .
F4_30 C3_30 F6_30 106.1(10) . .
F5_30 C3_30 F6_30 107.8(9) . .
F4_30 C3_30 C1_30 112.2(9) . .
F5_30 C3_30 C1_30 111.7(9) . .
F6_30 C3_30 C1_30 111.1(9) . .
F8_30 C4_30 F7_30 106.9(9) . .
F8_30 C4_30 F9_30 108.7(9) . .
F7_30 C4_30 F9_30 107.6(9) . .
F8_30 C4_30 C1_30 112.3(9) . .
F7_30 C4_30 C1_30 112.5(9) . .
F9_30 C4_30 C1_30 108.7(9) . .
C1_31 O1_31 Al7 147.9(8) . .
O1_31 C1_31 C3_31 112.0(9) . .
O1_31 C1_31 C4_31 109.0(9) . .
C3_31 C1_31 C4_31 108.7(8) . .
O1_31 C1_31 C2_31 109.1(8) . .
C3_31 C1_31 C2_31 110.2(9) . .
C4_31 C1_31 C2_31 107.8(8) . .
F2_31 C2_31 F3_31 109.0(10) . .
F2_31 C2_31 F1_31 106.8(10) . .
F3_31 C2_31 F1_31 107.6(10) . .
F2_31 C2_31 C1_31 109.9(9) . .
F3_31 C2_31 C1_31 111.9(9) . .
F1_31 C2_31 C1_31 111.5(9) . .
F5_31 C3_31 F4_31 108.2(10) . .
F5_31 C3_31 F6_31 108.2(10) . .
F4_31 C3_31 F6_31 107.7(10) . .
F5_31 C3_31 C1_31 110.3(9) . .
F4_31 C3_31 C1_31 110.5(9) . .
F6_31 C3_31 C1_31 111.8(9) . .
F7_31 C4_31 F8_31 108.9(9) . .
F7_31 C4_31 F9_31 106.1(9) . .
F8_31 C4_31 F9_31 106.4(9) . .
F7_31 C4_31 C1_31 114.9(9) . .
F8_31 C4_31 C1_31 109.8(9) . .
F9_31 C4_31 C1_31 110.4(8) . .
C1_32 O1_32 Al7 145.1(7) . .
O1_32 C1_32 C4_32 108.3(8) . .
O1_32 C1_32 C2_32 111.8(8) . .
C4_32 C1_32 C2_32 110.3(8) . .
O1_32 C1_32 C3_32 109.1(8) . .
C4_32 C1_32 C3_32 110.1(8) . .
C2_32 C1_32 C3_32 107.2(8) . .
F1B_32 C2_32 F3B_32 114.0(12) . .
F3_32 C2_32 F2_32 104.7(10) . .
F1B_32 C2_32 F2B_32 113.4(11) . .
F3B_32 C2_32 F2B_32 103.2(10) . .
F3_32 C2_32 F1_32 103.7(10) . .
F2_32 C2_32 F1_32 98.7(10) . .
F1B_32 C2_32 C1_32 113.9(10) . .
F3_32 C2_32 C1_32 124.4(12) . .
F3B_32 C2_32 C1_32 110.4(10) . .
F2_32 C2_32 C1_32 115.7(9) . .
F2B_32 C2_32 C1_32 100.7(9) . .
F1_32 C2_32 C1_32 105.9(10) . .
F4B_32 C3_32 F6B_32 118.1(14) . .
F6_32 C3_32 F5_32 110.2(13) . .
F6_32 C3_32 F4_32 99.8(10) . .
F5_32 C3_32 F4_32 98.7(11) . .
F4B_32 C3_32 F5B_32 96.1(10) . .
F6B_32 C3_32 F5B_32 97.1(11) . .
F4B_32 C3_32 C1_32 119.5(10) . .
F6_32 C3_32 C1_32 123.3(11) . .
F6B_32 C3_32 C1_32 117.1(13) . .
F5_32 C3_32 C1_32 115.1(14) . .
F4_32 C3_32 C1_32 105.0(10) . .
F5B_32 C3_32 C1_32 99.8(8) . .
F9B_32 C4_32 F8B_32 116.4(14) . .
F7_32 C4_32 F8_32 107.9(10) . .
F7_32 C4_32 F9_32 104.3(10) . .
F8_32 C4_32 F9_32 97.8(9) . .
F9B_32 C4_32 F7B_32 111.2(12) . .
F8B_32 C4_32 F7B_32 102.7(12) . .
F9B_32 C4_32 C1_32 116.6(12) . .
F7_32 C4_32 C1_32 118.8(11) . .
F8B_32 C4_32 C1_32 107.8(13) . .
F8_32 C4_32 C1_32 118.1(9) . .
F9_32 C4_32 C1_32 107.0(9) . .
F7B_32 C4_32 C1_32 100.0(10) . .
C1_33 O1_33 Al7 145.7(7) . .
O1_33 C1_33 C2_33 110.5(8) . .
O1_33 C1_33 C4_33 107.5(8) . .
C2_33 C1_33 C4_33 110.7(8) . .
O1_33 C1_33 C3_33 111.1(8) . .
C2_33 C1_33 C3_33 107.9(8) . .
C4_33 C1_33 C3_33 109.1(8) . .
F1_33 C2_33 F3_33 107.6(9) . .
F1_33 C2_33 F2_33 107.4(8) . .
F3_33 C2_33 F2_33 104.7(8) . .
F1_33 C2_33 C1_33 113.3(8) . .
F3_33 C2_33 C1_33 111.9(8) . .
F2_33 C2_33 C1_33 111.4(9) . .
F4_33 C3_33 F6_33 105.5(9) . .
F4_33 C3_33 F5_33 107.0(9) . .
F6_33 C3_33 F5_33 105.7(8) . .
F4_33 C3_33 C1_33 113.2(8) . .
F6_33 C3_33 C1_33 111.9(9) . .
F5_33 C3_33 C1_33 113.0(9) . .
F7_33 C4_33 F8_33 106.9(9) . .
F7_33 C4_33 F9_33 108.7(9) . .
F8_33 C4_33 F9_33 108.1(9) . .
F7_33 C4_33 C1_33 110.8(9) . .
F8_33 C4_33 C1_33 111.6(9) . .
F9_33 C4_33 C1_33 110.7(9) . .
O1_35 Al8 O1_36 115.4(5) . .
O1_35 Al8 O1_34 108.3(4) . .
O1_36 Al8 O1_34 108.8(5) . .
O1_35 Al8 O1_37 106.1(4) . .
O1_36 Al8 O1_37 106.4(4) . .
O1_34 Al8 O1_37 111.8(4) . .
C1_34 O1_34 Al8 150.9(8) . .
O1_34 C1_34 C2_34 108.5(8) . .
O1_34 C1_34 C4_34 111.2(8) . .
C2_34 C1_34 C4_34 111.6(8) . .
O1_34 C1_34 C3_34 109.9(8) . .
C2_34 C1_34 C3_34 108.5(8) . .
C4_34 C1_34 C3_34 107.2(8) . .
F1_34 C2_34 F2_34 107.4(9) . .
F1_34 C2_34 F3_34 107.0(9) . .
F2_34 C2_34 F3_34 108.2(9) . .
F1_34 C2_34 C1_34 112.3(9) . .
F2_34 C2_34 C1_34 114.0(9) . .
F3_34 C2_34 C1_34 107.7(9) . .
F4_34 C3_34 F6_34 107.3(9) . .
F4_34 C3_34 F5_34 107.4(9) . .
F6_34 C3_34 F5_34 108.8(9) . .
F4_34 C3_34 C1_34 111.8(9) . .
F6_34 C3_34 C1_34 111.3(9) . .
F5_34 C3_34 C1_34 110.1(9) . .
F7_34 C4_34 F9_34 110.9(9) . .
F7_34 C4_34 F8_34 103.9(9) . .
F9_34 C4_34 F8_34 108.7(9) . .
F7_34 C4_34 C1_34 110.8(9) . .
F9_34 C4_34 C1_34 111.8(9) . .
F8_34 C4_34 C1_34 110.5(9) . .
C1_35 O1_35 Al8 147.9(7) . .
O1_35 C1_35 C4_35 109.7(8) . .
O1_35 C1_35 C2_35 106.9(8) . .
C4_35 C1_35 C2_35 110.4(8) . .
O1_35 C1_35 C3_35 109.9(8) . .
C4_35 C1_35 C3_35 109.7(8) . .
C2_35 C1_35 C3_35 110.2(8) . .
F2_35 C2_35 F1_35 107.6(9) . .
F2_35 C2_35 F3_35 108.3(9) . .
F1_35 C2_35 F3_35 107.8(9) . .
F2_35 C2_35 C1_35 111.9(8) . .
F1_35 C2_35 C1_35 110.6(8) . .
F3_35 C2_35 C1_35 110.7(8) . .
F6_35 C3_35 F5_35 106.7(9) . .
F6_35 C3_35 F4_35 106.7(9) . .
F5_35 C3_35 F4_35 106.7(8) . .
F6_35 C3_35 C1_35 112.5(8) . .
F5_35 C3_35 C1_35 112.9(8) . .
F4_35 C3_35 C1_35 110.9(8) . .
F7_35 C4_35 F9_35 107.1(9) . .
F7_35 C4_35 F8_35 107.2(9) . .
F9_35 C4_35 F8_35 105.9(8) . .
F7_35 C4_35 C1_35 112.2(8) . .
F9_35 C4_35 C1_35 111.3(8) . .
F8_35 C4_35 C1_35 112.7(8) . .
C1_36 O1_36 Al8 149.1(8) . .
O1_36 C1_36 C3_36 111.7(8) . .
O1_36 C1_36 C2_36 108.9(8) . .
C3_36 C1_36 C2_36 108.4(8) . .
O1_36 C1_36 C4_36 108.9(8) . .
C3_36 C1_36 C4_36 109.7(8) . .
C2_36 C1_36 C4_36 109.2(8) . .
F2_36 C2_36 F3_36 107.1(9) . .
F2_36 C2_36 F1_36 107.2(9) . .
F3_36 C2_36 F1_36 107.1(9) . .
F2_36 C2_36 C1_36 111.2(9) . .
F3_36 C2_36 C1_36 113.4(9) . .
F1_36 C2_36 C1_36 110.5(9) . .
F6_36 C3_36 F5_36 106.6(9) . .
F6_36 C3_36 F4_36 107.1(9) . .
F5_36 C3_36 F4_36 106.1(9) . .
F6_36 C3_36 C1_36 111.1(9) . .
F5_36 C3_36 C1_36 112.8(9) . .
F4_36 C3_36 C1_36 112.8(9) . .
F8_36 C4_36 F9_36 105.7(9) . .
F8_36 C4_36 F7_36 107.4(9) . .
F9_36 C4_36 F7_36 109.2(9) . .
F8_36 C4_36 C1_36 111.5(9) . .
F9_36 C4_36 C1_36 110.2(9) . .
F7_36 C4_36 C1_36 112.5(9) . .
C1_37 O1_37 Al8 147.0(7) . .
O1_37 C1_37 C3_37 111.2(8) . .
O1_37 C1_37 C2_37 112.1(8) . .
C3_37 C1_37 C2_37 108.6(8) . .
O1_37 C1_37 C4_37 107.5(8) . .
C3_37 C1_37 C4_37 108.3(8) . .
C2_37 C1_37 C4_37 109.2(8) . .
F2_37 C2_37 F1_37 108.7(9) . .
F2_37 C2_37 F3_37 107.7(9) . .
F1_37 C2_37 F3_37 106.9(9) . .
F2_37 C2_37 C1_37 109.6(9) . .
F1_37 C2_37 C1_37 112.6(9) . .
F3_37 C2_37 C1_37 111.2(9) . .
F5_37 C3_37 F6_37 107.7(9) . .
F5_37 C3_37 F4_37 104.7(9) . .
F6_37 C3_37 F4_37 106.5(9) . .
F5_37 C3_37 C1_37 111.3(9) . .
F6_37 C3_37 C1_37 115.1(9) . .
F4_37 C3_37 C1_37 110.9(8) . .
F8_37 C4_37 F7_37 106.3(9) . .
F8_37 C4_37 F9_37 107.3(9) . .
F7_37 C4_37 F9_37 105.9(9) . .
F8_37 C4_37 C1_37 114.4(9) . .
F7_37 C4_37 C1_37 110.8(9) . .
F9_37 C4_37 C1_37 111.6(9) . .
O1_40 Al9 O1_38 114.0(6) . .
O1_40 Al9 O1_50 122.4(10) . .
O1_38 Al9 O1_50 103.1(11) . .
O1_40 Al9 O1_41 107.0(5) . .
O1_38 Al9 O1_41 106.8(5) . .
O1_50 Al9 O1_41 102.0(10) . .
O1_40 Al9 O1_39 106.3(6) . .
O1_38 Al9 O1_39 111.1(6) . .
O1_41 Al9 O1_39 111.7(6) . .
C1_38 O1_38 Al9 153.9(9) . .
O1_38 C1_38 C4_38 112.1(9) . .
O1_38 C1_38 C2_38 109.6(9) . .
C4_38 C1_38 C2_38 111.2(9) . .
O1_38 C1_38 C3_38 108.4(9) . .
C4_38 C1_38 C3_38 107.8(9) . .
C2_38 C1_38 C3_38 107.6(8) . .
F1_38 C2_38 F3_38 107.5(10) . .
F1_38 C2_38 F2_38 108.7(11) . .
F3_38 C2_38 F2_38 107.9(9) . .
F1_38 C2_38 C1_38 110.3(9) . .
F3_38 C2_38 C1_38 111.6(9) . .
F2_38 C2_38 C1_38 110.7(9) . .
F4_38 C3_38 F5_38 105.6(10) . .
F4_38 C3_38 F6_38 106.1(10) . .
F5_38 C3_38 F6_38 107.3(10) . .
F4_38 C3_38 C1_38 114.3(10) . .
F5_38 C3_38 C1_38 111.9(9) . .
F6_38 C3_38 C1_38 111.2(9) . .
F9_38 C4_38 F7_38 107.6(10) . .
F9_38 C4_38 F8_38 107.9(10) . .
F7_38 C4_38 F8_38 104.9(10) . .
F9_38 C4_38 C1_38 112.1(9) . .
F7_38 C4_38 C1_38 110.0(10) . .
F8_38 C4_38 C1_38 114.0(10) . .
C1_39 O1_39 Al9 149.3(10) . .
O1_39 C1_39 C3_39 110.6(11) . .
O1_39 C1_39 C2_39 108.4(11) . .
C3_39 C1_39 C2_39 110.0(10) . .
O1_39 C1_39 C4_39 111.9(10) . .
C3_39 C1_39 C4_39 108.2(10) . .
C2_39 C1_39 C4_39 107.8(10) . .
F3_39 C2_39 F1_39 108.8(12) . .
F3_39 C2_39 F2_39 111.0(12) . .
F1_39 C2_39 F2_39 106.0(12) . .
F3_39 C2_39 C1_39 110.4(11) . .
F1_39 C2_39 C1_39 109.9(12) . .
F2_39 C2_39 C1_39 110.6(11) . .
F6_39 C3_39 F4_39 107.9(12) . .
F6_39 C3_39 F5_39 105.7(11) . .
F4_39 C3_39 F5_39 108.6(12) . .
F6_39 C3_39 C1_39 111.8(11) . .
F4_39 C3_39 C1_39 110.0(11) . .
F5_39 C3_39 C1_39 112.6(11) . .
F7_39 C4_39 F8_39 108.8(11) . .
F7_39 C4_39 F9_39 108.0(12) . .
F8_39 C4_39 F9_39 107.3(11) . .
F7_39 C4_39 C1_39 112.6(11) . .
F8_39 C4_39 C1_39 110.3(11) . .
F9_39 C4_39 C1_39 109.6(10) . .
C1_50 O1_50 Al9 147.6(19) . .
O1_50 C1_50 C2_50 109.7(15) . .
O1_50 C1_50 C3_50 107.8(14) . .
C2_50 C1_50 C3_50 108.2(14) . .
O1_50 C1_50 C4_50 108.5(15) . .
C2_50 C1_50 C4_50 110.0(13) . .
C3_50 C1_50 C4_50 112.6(14) . .
F3_50 C2_50 F2_50 107.5(17) . .
F3_50 C2_50 F1_50 107.9(18) . .
F2_50 C2_50 F1_50 107.8(18) . .
F3_50 C2_50 C1_50 115.0(18) . .
F2_50 C2_50 C1_50 109.0(17) . .
F1_50 C2_50 C1_50 109(2) . .
F4_50 C3_50 F6_50 112.5(18) . .
F4_50 C3_50 F5_50 100.9(16) . .
F6_50 C3_50 F5_50 108.7(18) . .
F4_50 C3_50 C1_50 106.9(17) . .
F6_50 C3_50 C1_50 114.0(18) . .
F5_50 C3_50 C1_50 113.1(17) . .
F8_50 C4_50 F7_50 105.6(17) . .
F8_50 C4_50 F9_50 110.7(18) . .
F7_50 C4_50 F9_50 106.6(18) . .
F8_50 C4_50 C1_50 113.9(17) . .
F7_50 C4_50 C1_50 110.8(19) . .
F9_50 C4_50 C1_50 109.0(18) . .
C1_40 O1_40 Al9 157.6(9) . .
O1_40 C1_40 C4_40 109.0(10) . .
O1_40 C1_40 C3_40 106.9(10) . .
C4_40 C1_40 C3_40 110.4(10) . .
O1_40 C1_40 C2_40 112.3(10) . .
C4_40 C1_40 C2_40 109.3(9) . .
C3_40 C1_40 C2_40 108.9(10) . .
F3_40 C2_40 F2_40 110.6(13) . .
F3_40 C2_40 F1_40 104.0(12) . .
F2_40 C2_40 F1_40 106.8(12) . .
F3_40 C2_40 C1_40 111.5(12) . .
F2_40 C2_40 C1_40 112.9(11) . .
F1_40 C2_40 C1_40 110.5(11) . .
F5_40 C3_40 F4_40 104.7(12) . .
F5_40 C3_40 F6_40 108.4(13) . .
F4_40 C3_40 F6_40 110.1(13) . .
F5_40 C3_40 C1_40 113.9(12) . .
F4_40 C3_40 C1_40 111.3(11) . .
F6_40 C3_40 C1_40 108.5(11) . .
F7_40 C4_40 F9_40 108.9(11) . .
F7_40 C4_40 F8_40 108.3(12) . .
F9_40 C4_40 F8_40 107.9(11) . .
F7_40 C4_40 C1_40 110.9(11) . .
F9_40 C4_40 C1_40 110.1(10) . .
F8_40 C4_40 C1_40 110.7(10) . .
C1_41 O1_41 Al9 149.8(8) . .
O1_41 C1_41 C2_41 109.1(9) . .
O1_41 C1_41 C4_41 111.5(10) . .
C2_41 C1_41 C4_41 109.1(9) . .
O1_41 C1_41 C3_41 112.0(9) . .
C2_41 C1_41 C3_41 109.0(9) . .
C4_41 C1_41 C3_41 106.0(9) . .
F2_41 C2_41 F3_41 106.9(12) . .
F2_41 C2_41 F1_41 110.8(12) . .
F3_41 C2_41 F1_41 108.2(12) . .
F2_41 C2_41 C1_41 113.0(10) . .
F3_41 C2_41 C1_41 113.0(11) . .
F1_41 C2_41 C1_41 104.8(10) . .
F6_41 C3_41 F4_41 107.6(10) . .
F6_41 C3_41 F5_41 110.3(11) . .
F4_41 C3_41 F5_41 110.3(10) . .
F6_41 C3_41 C1_41 111.0(9) . .
F4_41 C3_41 C1_41 111.8(10) . .
F5_41 C3_41 C1_41 105.9(10) . .
F8_41 C4_41 F9_41 112.7(13) . .
F8_41 C4_41 F7_41 107.6(12) . .
F9_41 C4_41 F7_41 110.9(12) . .
F8_41 C4_41 C1_41 108.9(11) . .
F9_41 C4_41 C1_41 106.4(11) . .
F7_41 C4_41 C1_41 110.4(11) . .
O1_47 Al10 O1_46 105.8(5) . .
O1_47 Al10 O1_44 112.7(5) . .
O1_46 Al10 O1_44 107.2(5) . .
O1_47 Al10 O1_45 107.6(5) . .
O1_46 Al10 O1_45 115.0(5) . .
O1_44 Al10 O1_45 108.7(4) . .
C1_44 O1_44 Al10 148.9(8) . .
O1_44 C1_44 C4_44 109.5(9) . .
O1_44 C1_44 C2_44 112.0(8) . .
C4_44 C1_44 C2_44 111.8(10) . .
O1_44 C1_44 C3_44 107.4(9) . .
C4_44 C1_44 C3_44 109.2(9) . .
C2_44 C1_44 C3_44 106.8(9) . .
F3_44 C2_44 F2_44 111.9(11) . .
F3_44 C2_44 F1_44 105.1(10) . .
F2_44 C2_44 F1_44 101.5(10) . .
F3_44 C2_44 C1_44 115.0(10) . .
F2_44 C2_44 C1_44 113.7(9) . .
F1_44 C2_44 C1_44 108.2(10) . .
F6_44 C3_44 F5_44 108.0(10) . .
F6_44 C3_44 F4_44 103.5(10) . .
F5_44 C3_44 F4_44 109.4(10) . .
F6_44 C3_44 C1_44 113.4(10) . .
F5_44 C3_44 C1_44 111.7(9) . .
F4_44 C3_44 C1_44 110.5(9) . .
F9_44 C4_44 F7_44 106.5(11) . .
F9_44 C4_44 F8_44 109.6(12) . .
F7_44 C4_44 F8_44 105.9(10) . .
F9_44 C4_44 C1_44 110.5(10) . .
F7_44 C4_44 C1_44 116.2(11) . .
F8_44 C4_44 C1_44 107.9(10) . .
C1_45 O1_45 Al10 148.2(8) . .
O1_45 C1_45 C2_45 110.1(9) . .
O1_45 C1_45 C4_45 111.5(9) . .
C2_45 C1_45 C4_45 109.7(9) . .
O1_45 C1_45 C3_45 107.7(9) . .
C2_45 C1_45 C3_45 109.5(9) . .
C4_45 C1_45 C3_45 108.3(8) . .
F2_45 C2_45 F3_45 106.7(11) . .
F2_45 C2_45 F1_45 109.3(11) . .
F3_45 C2_45 F1_45 109.6(11) . .
F2_45 C2_45 C1_45 110.7(10) . .
F3_45 C2_45 C1_45 110.9(10) . .
F1_45 C2_45 C1_45 109.6(9) . .
F5_45 C3_45 F6_45 107.7(10) . .
F5_45 C3_45 F4_45 108.1(10) . .
F6_45 C3_45 F4_45 108.3(11) . .
F5_45 C3_45 C1_45 112.2(10) . .
F6_45 C3_45 C1_45 110.4(9) . .
F4_45 C3_45 C1_45 110.1(9) . .
F8_45 C4_45 F9_45 106.1(10) . .
F8_45 C4_45 F7_45 106.6(9) . .
F9_45 C4_45 F7_45 109.5(9) . .
F8_45 C4_45 C1_45 110.8(9) . .
F9_45 C4_45 C1_45 113.7(9) . .
F7_45 C4_45 C1_45 109.7(9) . .
C1_46 O1_46 Al10 148.1(7) . .
O1_46 C1_46 C4_46 111.4(9) . .
O1_46 C1_46 C3_46 108.8(9) . .
C4_46 C1_46 C3_46 111.7(9) . .
O1_46 C1_46 C2_46 108.8(9) . .
C4_46 C1_46 C2_46 109.5(9) . .
C3_46 C1_46 C2_46 106.5(9) . .
F2_46 C2_46 F3_46 105.5(10) . .
F2_46 C2_46 F1_46 111.1(11) . .
F3_46 C2_46 F1_46 109.7(10) . .
F2_46 C2_46 C1_46 111.6(10) . .
F3_46 C2_46 C1_46 111.8(10) . .
F1_46 C2_46 C1_46 107.2(10) . .
F6_46 C3_46 F5_46 106.6(11) . .
F6_46 C3_46 F4_46 113.3(11) . .
F5_46 C3_46 F4_46 113.3(11) . .
F6_46 C3_46 C1_46 108.7(10) . .
F5_46 C3_46 C1_46 107.3(10) . .
F4_46 C3_46 C1_46 107.6(10) . .
F9_46 C4_46 F7_46 104.3(9) . .
F9_46 C4_46 F8_46 111.6(10) . .
F7_46 C4_46 F8_46 112.0(10) . .
F9_46 C4_46 C1_46 109.6(9) . .
F7_46 C4_46 C1_46 112.2(9) . .
F8_46 C4_46 C1_46 107.4(9) . .
C1_47 O1_47 Al10 149.2(8) . .
O1_47 C1_47 C2_47 108.0(9) . .
O1_47 C1_47 C4_47 110.5(9) . .
C2_47 C1_47 C4_47 110.2(9) . .
O1_47 C1_47 C3_47 109.8(9) . .
C2_47 C1_47 C3_47 110.0(9) . .
C4_47 C1_47 C3_47 108.3(10) . .
F1_47 C2_47 F3_47 107.8(10) . .
F1_47 C2_47 F2_47 105.7(10) . .
F3_47 C2_47 F2_47 104.3(10) . .
F1_47 C2_47 C1_47 112.4(9) . .
F3_47 C2_47 C1_47 113.1(10) . .
F2_47 C2_47 C1_47 112.9(10) . .
F5_47 C3_47 F6_47 108.1(11) . .
F5_47 C3_47 F4_47 107.6(11) . .
F6_47 C3_47 F4_47 107.6(10) . .
F5_47 C3_47 C1_47 110.5(10) . .
F6_47 C3_47 C1_47 111.6(10) . .
F4_47 C3_47 C1_47 111.3(10) . .
F8_47 C4_47 F9_47 109.3(12) . .
F8_47 C4_47 F7_47 107.3(11) . .
F9_47 C4_47 F7_47 106.2(11) . .
F8_47 C4_47 C1_47 109.2(10) . .
F9_47 C4_47 C1_47 113.2(10) . .
F7_47 C4_47 C1_47 111.4(10) . .
O1_53 Al11 O1_54 109.6(5) . .
O1_53 Al11 O1_51 107.5(5) . .
O1_54 Al11 O1_51 108.5(5) . .
O1_53 Al11 O1_52 108.2(5) . .
O1_54 Al11 O1_52 108.1(5) . .
O1_51 Al11 O1_52 114.9(5) . .
C1_51 O1_51 Al11 149.4(8) . .
O1_51 C1_51 C4_51 111.3(9) . .
O1_51 C1_51 C2_51 111.5(9) . .
C4_51 C1_51 C2_51 108.2(9) . .
O1_51 C1_51 C3_51 106.7(9) . .
C4_51 C1_51 C3_51 109.6(9) . .
C2_51 C1_51 C3_51 109.6(9) . .
F3_51 C2_51 F2_51 107.6(9) . .
F3_51 C2_51 F1_51 107.4(9) . .
F2_51 C2_51 F1_51 105.2(9) . .
F3_51 C2_51 C1_51 113.7(9) . .
F2_51 C2_51 C1_51 110.8(9) . .
F1_51 C2_51 C1_51 111.7(9) . .
F6_51 C3_51 F4_51 106.9(10) . .
F6_51 C3_51 F5_51 108.1(10) . .
F4_51 C3_51 F5_51 106.6(10) . .
F6_51 C3_51 C1_51 112.1(10) . .
F4_51 C3_51 C1_51 110.6(9) . .
F5_51 C3_51 C1_51 112.3(9) . .
F8_51 C4_51 F7_51 107.6(10) . .
F8_51 C4_51 F9_51 107.4(10) . .
F7_51 C4_51 F9_51 107.7(9) . .
F8_51 C4_51 C1_51 111.6(9) . .
F7_51 C4_51 C1_51 112.7(9) . .
F9_51 C4_51 C1_51 109.6(9) . .
C1_52 O1_52 Al11 148.8(8) . .
O1_52 C1_52 C3_52 109.6(9) . .
O1_52 C1_52 C2_52 110.3(9) . .
C3_52 C1_52 C2_52 111.1(10) . .
O1_52 C1_52 C4_52 107.3(9) . .
C3_52 C1_52 C4_52 109.4(9) . .
C2_52 C1_52 C4_52 109.1(9) . .
F2_52 C2_52 F1_52 109.6(11) . .
F2_52 C2_52 F3_52 108.9(10) . .
F1_52 C2_52 F3_52 108.0(11) . .
F2_52 C2_52 C1_52 110.1(10) . .
F1_52 C2_52 C1_52 110.1(10) . .
F3_52 C2_52 C1_52 110.0(10) . .
F5_52 C3_52 F4_52 107.3(11) . .
F5_52 C3_52 F6_52 106.0(11) . .
F4_52 C3_52 F6_52 107.9(11) . .
F5_52 C3_52 C1_52 112.6(10) . .
F4_52 C3_52 C1_52 111.8(10) . .
F6_52 C3_52 C1_52 110.9(10) . .
F9_52 C4_52 F7_52 108.7(10) . .
F9_52 C4_52 F8_52 108.5(10) . .
F7_52 C4_52 F8_52 107.1(10) . .
F9_52 C4_52 C1_52 112.3(9) . .
F7_52 C4_52 C1_52 111.3(9) . .
F8_52 C4_52 C1_52 108.9(10) . .
C1_53 O1_53 Al11 147.7(8) . .
O1_53 C1_53 C3_53 111.1(9) . .
O1_53 C1_53 C2_53 109.8(9) . .
C3_53 C1_53 C2_53 110.3(9) . .
O1_53 C1_53 C4_53 107.0(9) . .
C3_53 C1_53 C4_53 110.4(8) . .
C2_53 C1_53 C4_53 108.1(9) . .
F3_53 C2_53 F2_53 108.8(10) . .
F3_53 C2_53 F1_53 105.6(10) . .
F2_53 C2_53 F1_53 105.8(10) . .
F3_53 C2_53 C1_53 113.5(10) . .
F2_53 C2_53 C1_53 111.5(9) . .
F1_53 C2_53 C1_53 111.2(10) . .
F6_53 C3_53 F5_53 110.0(10) . .
F6_53 C3_53 F4_53 107.9(10) . .
F5_53 C3_53 F4_53 108.0(9) . .
F6_53 C3_53 C1_53 110.3(9) . .
F5_53 C3_53 C1_53 110.6(9) . .
F4_53 C3_53 C1_53 109.9(9) . .
F9_53 C4_53 F8_53 106.7(9) . .
F9_53 C4_53 F7_53 106.8(9) . .
F8_53 C4_53 F7_53 107.0(9) . .
F9_53 C4_53 C1_53 113.5(9) . .
F8_53 C4_53 C1_53 109.5(9) . .
F7_53 C4_53 C1_53 112.9(9) . .
C1_54 O1_54 Al11 148.3(8) . .
O1_54 C1_54 C3_54 112.2(9) . .
O1_54 C1_54 C4_54 109.2(9) . .
C3_54 C1_54 C4_54 107.6(9) . .
O1_54 C1_54 C2_54 110.3(8) . .
C3_54 C1_54 C2_54 108.3(9) . .
C4_54 C1_54 C2_54 109.2(8) . .
F3_54 C2_54 F2_54 107.9(9) . .
F3_54 C2_54 F1_54 105.4(9) . .
F2_54 C2_54 F1_54 107.7(9) . .
F3_54 C2_54 C1_54 110.4(9) . .
F2_54 C2_54 C1_54 111.0(9) . .
F1_54 C2_54 C1_54 114.1(9) . .
F6_54 C3_54 F5_54 106.7(10) . .
F6_54 C3_54 F4_54 106.3(10) . .
F5_54 C3_54 F4_54 105.8(9) . .
F6_54 C3_54 C1_54 111.7(9) . .
F5_54 C3_54 C1_54 113.5(9) . .
F4_54 C3_54 C1_54 112.4(9) . .
F9_54 C4_54 F7_54 107.8(9) . .
F9_54 C4_54 F8_54 108.0(9) . .
F7_54 C4_54 F8_54 109.3(9) . .
F9_54 C4_54 C1_54 109.9(9) . .
F7_54 C4_54 C1_54 112.4(9) . .
F8_54 C4_54 C1_54 109.3(9) . .
O1_57 Al12 O1_56 108.6(5) . .
O1_57 Al12 O1_55 112.8(5) . .
O1_56 Al12 O1_55 107.9(5) . .
O1_57 Al12 O1_58 106.4(4) . .
O1_56 Al12 O1_58 114.0(5) . .
O1_55 Al12 O1_58 107.3(5) . .
C1_55 O1_55 Al12 149.6(8) . .
F2_55 C2_55 F3_55 107.7(10) . .
F2_55 C2_55 F1_55 105.6(9) . .
F3_55 C2_55 F1_55 107.1(10) . .
F2_55 C2_55 C1_55 112.7(9) . .
F3_55 C2_55 C1_55 112.0(9) . .
F1_55 C2_55 C1_55 111.3(9) . .
F6_55 C3_55 F4_55 106.2(9) . .
F6_55 C3_55 F5_55 108.5(9) . .
F4_55 C3_55 F5_55 106.9(9) . .
F6_55 C3_55 C1_55 110.8(8) . .
F4_55 C3_55 C1_55 111.1(8) . .
F5_55 C3_55 C1_55 113.0(9) . .
F9_55 C4_55 F7_55 106.3(9) . .
F9_55 C4_55 F8_55 107.1(9) . .
F7_55 C4_55 F8_55 108.0(9) . .
F9_55 C4_55 C1_55 112.3(9) . .
F7_55 C4_55 C1_55 111.7(9) . .
F8_55 C4_55 C1_55 111.2(9) . .
O1_55 C1_55 C4_55 109.0(9) . .
O1_55 C1_55 C3_55 109.3(8) . .
C4_55 C1_55 C3_55 110.5(8) . .
O1_55 C1_55 C2_55 109.9(8) . .
C4_55 C1_55 C2_55 108.9(8) . .
C3_55 C1_55 C2_55 109.3(8) . .
C1_56 O1_56 Al12 151.3(8) . .
O1_56 C1_56 C4_56 111.1(8) . .
O1_56 C1_56 C2_56 108.3(8) . .
C4_56 C1_56 C2_56 110.8(8) . .
O1_56 C1_56 C3_56 111.5(8) . .
C4_56 C1_56 C3_56 107.3(9) . .
C2_56 C1_56 C3_56 107.8(8) . .
F3_56 C2_56 F2_56 107.1(9) . .
F3_56 C2_56 F1_56 106.8(9) . .
F2_56 C2_56 F1_56 106.6(9) . .
F3_56 C2_56 C1_56 112.2(9) . .
F2_56 C2_56 C1_56 114.0(9) . .
F1_56 C2_56 C1_56 109.7(9) . .
F5_56 C3_56 F4_56 106.4(10) . .
F5_56 C3_56 F6_56 109.5(10) . .
F4_56 C3_56 F6_56 107.4(10) . .
F5_56 C3_56 C1_56 114.0(9) . .
F4_56 C3_56 C1_56 109.4(9) . .
F6_56 C3_56 C1_56 109.7(9) . .
F8_56 C4_56 F7_56 108.5(10) . .
F8_56 C4_56 F9_56 107.6(11) . .
F7_56 C4_56 F9_56 107.1(10) . .
F8_56 C4_56 C1_56 112.1(9) . .
F7_56 C4_56 C1_56 113.1(9) . .
F9_56 C4_56 C1_56 108.2(10) . .
C1_57 O1_57 Al12 150.8(8) . .
O1_57 C1_57 C4_57 112.2(8) . .
O1_57 C1_57 C2_57 109.7(8) . .
C4_57 C1_57 C2_57 110.1(8) . .
O1_57 C1_57 C3_57 107.9(8) . .
C4_57 C1_57 C3_57 109.1(8) . .
C2_57 C1_57 C3_57 107.7(8) . .
F1_57 C2_57 F3_57 104.2(9) . .
F1_57 C2_57 F2_57 111.8(9) . .
F3_57 C2_57 F2_57 107.8(9) . .
F1_57 C2_57 C1_57 111.4(8) . .
F3_57 C2_57 C1_57 111.9(9) . .
F2_57 C2_57 C1_57 109.5(8) . .
F6_57 C3_57 F4_57 107.2(9) . .
F6_57 C3_57 F5_57 108.4(9) . .
F4_57 C3_57 F5_57 104.9(8) . .
F6_57 C3_57 C1_57 110.3(8) . .
F4_57 C3_57 C1_57 113.0(8) . .
F5_57 C3_57 C1_57 112.8(8) . .
F7_57 C4_57 F9_57 106.7(9) . .
F7_57 C4_57 F8_57 108.0(9) . .
F9_57 C4_57 F8_57 108.4(9) . .
F7_57 C4_57 C1_57 112.9(8) . .
F9_57 C4_57 C1_57 110.7(9) . .
F8_57 C4_57 C1_57 110.1(8) . .
C1_58 O1_58 Al12 148.3(8) . .
O1_58 C1_58 C3_58 108.3(8) . .
O1_58 C1_58 C4_58 110.1(8) . .
C3_58 C1_58 C4_58 108.5(8) . .
O1_58 C1_58 C2_58 111.0(8) . .
C3_58 C1_58 C2_58 110.6(8) . .
C4_58 C1_58 C2_58 108.4(9) . .
F2_58 C2_58 F1_58 107.2(10) . .
F2_58 C2_58 F3_58 107.5(10) . .
F1_58 C2_58 F3_58 108.1(9) . .
F2_58 C2_58 C1_58 109.7(9) . .
F1_58 C2_58 C1_58 111.9(8) . .
F3_58 C2_58 C1_58 112.2(9) . .
F6_58 C3_58 F5_58 107.3(8) . .
F6_58 C3_58 F4_58 105.9(9) . .
F5_58 C3_58 F4_58 106.8(9) . .
F6_58 C3_58 C1_58 111.0(8) . .
F5_58 C3_58 C1_58 115.1(9) . .
F4_58 C3_58 C1_58 110.2(8) . .
F9_58 C4_58 F8_58 107.5(10) . .
F9_58 C4_58 F7_58 108.4(9) . .
F8_58 C4_58 F7_58 106.0(10) . .
F9_58 C4_58 C1_58 113.3(9) . .
F8_58 C4_58 C1_58 110.2(9) . .
F7_58 C4_58 C1_58 111.1(9) . .
O1_62 Al13 O1_59 107.5(4) . .
O1_62 Al13 O1_60 107.8(5) . .
O1_59 Al13 O1_60 116.6(5) . .
O1_62 Al13 O1_61 113.6(5) . .
O1_59 Al13 O1_61 106.5(4) . .
O1_60 Al13 O1_61 105.0(5) . .
C1_59 O1_59 Al13 145.4(7) . .
O1_59 C1_59 C2_59 107.5(9) . .
O1_59 C1_59 C4_59 111.3(8) . .
C2_59 C1_59 C4_59 110.2(8) . .
O1_59 C1_59 C3_59 108.5(8) . .
C2_59 C1_59 C3_59 109.2(8) . .
C4_59 C1_59 C3_59 110.1(9) . .
F2_59 C2_59 F3_59 105.7(9) . .
F2_59 C2_59 F1_59 107.7(10) . .
F3_59 C2_59 F1_59 107.9(9) . .
F2_59 C2_59 C1_59 111.7(9) . .
F3_59 C2_59 C1_59 112.6(9) . .
F1_59 C2_59 C1_59 110.9(9) . .
F5_59 C3_59 F6_59 108.2(9) . .
F5_59 C3_59 F4_59 107.8(9) . .
F6_59 C3_59 F4_59 106.9(9) . .
F5_59 C3_59 C1_59 111.1(9) . .
F6_59 C3_59 C1_59 111.2(9) . .
F4_59 C3_59 C1_59 111.4(9) . .
F8_59 C4_59 F9_59 108.7(9) . .
F8_59 C4_59 F7_59 107.9(9) . .
F9_59 C4_59 F7_59 107.5(9) . .
F8_59 C4_59 C1_59 110.9(9) . .
F9_59 C4_59 C1_59 111.0(9) . .
F7_59 C4_59 C1_59 110.7(9) . .
C1_60 O1_60 Al13 149.9(8) . .
O1_60 C1_60 C2_60 112.6(8) . .
O1_60 C1_60 C3_60 109.9(9) . .
C2_60 C1_60 C3_60 108.1(8) . .
O1_60 C1_60 C4_60 109.0(8) . .
C2_60 C1_60 C4_60 109.0(8) . .
C3_60 C1_60 C4_60 108.2(8) . .
F1_60 C2_60 F3_60 108.4(9) . .
F1_60 C2_60 F2_60 106.7(9) . .
F3_60 C2_60 F2_60 107.1(9) . .
F1_60 C2_60 C1_60 111.5(8) . .
F3_60 C2_60 C1_60 113.5(9) . .
F2_60 C2_60 C1_60 109.4(8) . .
F6_60 C3_60 F4_60 107.0(10) . .
F6_60 C3_60 F5_60 106.9(9) . .
F4_60 C3_60 F5_60 107.5(10) . .
F6_60 C3_60 C1_60 110.7(9) . .
F4_60 C3_60 C1_60 110.8(9) . .
F5_60 C3_60 C1_60 113.6(9) . .
F9_60 C4_60 F8_60 107.9(9) . .
F9_60 C4_60 F7_60 108.8(9) . .
F8_60 C4_60 F7_60 106.7(9) . .
F9_60 C4_60 C1_60 110.2(8) . .
F8_60 C4_60 C1_60 111.1(9) . .
F7_60 C4_60 C1_60 112.0(9) . .
C1_61 O1_61 Al13 147.1(8) . .
O1_61 C1_61 C3_61 111.6(8) . .
O1_61 C1_61 C2_61 106.5(9) . .
C3_61 C1_61 C2_61 109.2(8) . .
O1_61 C1_61 C4_61 110.8(9) . .
C3_61 C1_61 C4_61 109.8(8) . .
C2_61 C1_61 C4_61 108.9(8) . .
F3_61 C2_61 F2_61 108.6(9) . .
F3_61 C2_61 F1_61 106.9(9) . .
F2_61 C2_61 F1_61 106.7(9) . .
F3_61 C2_61 C1_61 113.0(9) . .
F2_61 C2_61 C1_61 112.1(9) . .
F1_61 C2_61 C1_61 109.3(9) . .
F4_61 C3_61 F6_61 107.3(9) . .
F4_61 C3_61 F5_61 106.8(9) . .
F6_61 C3_61 F5_61 107.2(9) . .
F4_61 C3_61 C1_61 111.7(9) . .
F6_61 C3_61 C1_61 111.4(9) . .
F5_61 C3_61 C1_61 112.3(9) . .
F9_61 C4_61 F8_61 108.7(9) . .
F9_61 C4_61 F7_61 108.0(9) . .
F8_61 C4_61 F7_61 107.6(9) . .
F9_61 C4_61 C1_61 110.7(9) . .
F8_61 C4_61 C1_61 110.8(9) . .
F7_61 C4_61 C1_61 111.0(9) . .
C1_62 O1_62 Al13 150.5(8) . .
O1_62 C1_62 C2_62 111.4(8) . .
O1_62 C1_62 C4_62 109.2(9) . .
C2_62 C1_62 C4_62 109.1(9) . .
O1_62 C1_62 C3_62 109.1(9) . .
C2_62 C1_62 C3_62 108.0(9) . .
C4_62 C1_62 C3_62 110.0(8) . .
F3_62 C2_62 F1_62 108.5(9) . .
F3_62 C2_62 F2_62 106.5(9) . .
F1_62 C2_62 F2_62 107.2(9) . .
F3_62 C2_62 C1_62 112.6(9) . .
F1_62 C2_62 C1_62 113.2(9) . .
F2_62 C2_62 C1_62 108.5(9) . .
F6_62 C3_62 F5_62 106.6(9) . .
F6_62 C3_62 F4_62 108.2(9) . .
F5_62 C3_62 F4_62 109.5(9) . .
F6_62 C3_62 C1_62 111.5(9) . .
F5_62 C3_62 C1_62 112.0(9) . .
F4_62 C3_62 C1_62 108.9(9) . .
F7_62 C4_62 F9_62 107.1(9) . .
F7_62 C4_62 F8_62 109.8(9) . .
F9_62 C4_62 F8_62 108.5(10) . .
F7_62 C4_62 C1_62 112.3(9) . .
F9_62 C4_62 C1_62 111.2(9) . .
F8_62 C4_62 C1_62 107.9(9) . .
O1_64 Al14 O1_65 114.3(4) . .
O1_64 Al14 O1_66 108.5(4) . .
O1_65 Al14 O1_66 108.4(4) . .
O1_64 Al14 O1_63 107.4(4) . .
O1_65 Al14 O1_63 106.2(4) . .
O1_66 Al14 O1_63 112.2(4) . .
C1_63 O1_63 Al14 146.3(7) . .
O1_63 C1_63 C3_63 107.4(8) . .
O1_63 C1_63 C4_63 111.7(8) . .
C3_63 C1_63 C4_63 109.8(8) . .
O1_63 C1_63 C2_63 110.4(8) . .
C3_63 C1_63 C2_63 107.5(8) . .
C4_63 C1_63 C2_63 109.8(8) . .
F1_63 C2_63 F2_63 109.2(10) . .
F1_63 C2_63 F3_63 107.4(9) . .
F2_63 C2_63 F3_63 104.7(9) . .
F1_63 C2_63 C1_63 113.4(9) . .
F2_63 C2_63 C1_63 109.9(9) . .
F3_63 C2_63 C1_63 111.8(9) . .
F6_63 C3_63 F4_63 107.5(9) . .
F6_63 C3_63 F5_63 107.3(9) . .
F4_63 C3_63 F5_63 106.6(10) . .
F6_63 C3_63 C1_63 114.3(9) . .
F4_63 C3_63 C1_63 110.7(8) . .
F5_63 C3_63 C1_63 110.1(9) . .
F8_63 C4_63 F9_63 109.3(10) . .
F8_63 C4_63 F7_63 107.7(10) . .
F9_63 C4_63 F7_63 106.1(9) . .
F8_63 C4_63 C1_63 110.5(9) . .
F9_63 C4_63 C1_63 113.2(9) . .
F7_63 C4_63 C1_63 109.8(9) . .
C1_64 O1_64 Al14 148.4(7) . .
O1_64 C1_64 C2_64 111.2(8) . .
O1_64 C1_64 C3_64 108.9(8) . .
C2_64 C1_64 C3_64 109.7(8) . .
O1_64 C1_64 C4_64 107.4(8) . .
C2_64 C1_64 C4_64 110.5(8) . .
C3_64 C1_64 C4_64 109.0(8) . .
F3_64 C2_64 F1_64 109.3(9) . .
F3_64 C2_64 F2_64 105.4(9) . .
F1_64 C2_64 F2_64 107.0(9) . .
F3_64 C2_64 C1_64 113.6(9) . .
F1_64 C2_64 C1_64 111.4(9) . .
F2_64 C2_64 C1_64 109.7(8) . .
F4_64 C3_64 F6_64 107.8(8) . .
F4_64 C3_64 F5_64 106.9(8) . .
F6_64 C3_64 F5_64 106.5(8) . .
F4_64 C3_64 C1_64 111.7(8) . .
F6_64 C3_64 C1_64 111.8(8) . .
F5_64 C3_64 C1_64 111.8(8) . .
F7_64 C4_64 F8_64 109.1(9) . .
F7_64 C4_64 F9_64 106.1(9) . .
F8_64 C4_64 F9_64 106.9(9) . .
F7_64 C4_64 C1_64 112.6(9) . .
F8_64 C4_64 C1_64 111.6(8) . .
F9_64 C4_64 C1_64 110.2(8) . .
C1_65 O1_65 Al14 147.4(7) . .
O1_65 C1_65 C3_65 110.8(8) . .
O1_65 C1_65 C4_65 108.3(8) . .
C3_65 C1_65 C4_65 109.7(8) . .
O1_65 C1_65 C2_65 111.3(7) . .
C3_65 C1_65 C2_65 108.8(8) . .
C4_65 C1_65 C2_65 107.9(8) . .
F3_65 C2_65 F2_65 106.8(9) . .
F3_65 C2_65 F1_65 106.3(8) . .
F2_65 C2_65 F1_65 106.4(9) . .
F3_65 C2_65 C1_65 113.7(8) . .
F2_65 C2_65 C1_65 113.1(8) . .
F1_65 C2_65 C1_65 110.1(8) . .
F5_65 C3_65 F6_65 107.2(8) . .
F5_65 C3_65 F4_65 108.8(9) . .
F6_65 C3_65 F4_65 106.5(8) . .
F5_65 C3_65 C1_65 111.9(8) . .
F6_65 C3_65 C1_65 111.5(8) . .
F4_65 C3_65 C1_65 110.8(8) . .
F7_65 C4_65 F8_65 106.3(9) . .
F7_65 C4_65 F9_65 107.2(9) . .
F8_65 C4_65 F9_65 106.7(9) . .
F7_65 C4_65 C1_65 111.9(9) . .
F8_65 C4_65 C1_65 113.3(9) . .
F9_65 C4_65 C1_65 111.1(8) . .
C1_66 O1_66 Al14 149.9(7) . .
O1_66 C1_66 C2_66 112.0(8) . .
O1_66 C1_66 C4_66 109.2(8) . .
C2_66 C1_66 C4_66 109.6(8) . .
O1_66 C1_66 C3_66 109.6(8) . .
C2_66 C1_66 C3_66 109.1(8) . .
C4_66 C1_66 C3_66 107.2(8) . .
F2_66 C2_66 F1_66 108.6(9) . .
F2_66 C2_66 F3_66 106.5(8) . .
F1_66 C2_66 F3_66 105.5(8) . .
F2_66 C2_66 C1_66 111.4(8) . .
F1_66 C2_66 C1_66 112.4(9) . .
F3_66 C2_66 C1_66 112.0(8) . .
F5_66 C3_66 F6_66 108.0(9) . .
F5_66 C3_66 F4_66 106.2(9) . .
F6_66 C3_66 F4_66 104.8(10) . .
F5_66 C3_66 C1_66 114.9(9) . .
F6_66 C3_66 C1_66 111.3(9) . .
F4_66 C3_66 C1_66 111.0(9) . .
F9_66 C4_66 F8_66 107.5(10) . .
F9_66 C4_66 F7_66 108.0(9) . .
F8_66 C4_66 F7_66 106.3(9) . .
F9_66 C4_66 C1_66 110.2(9) . .
F8_66 C4_66 C1_66 111.2(9) . .
F7_66 C4_66 C1_66 113.4(8) . .
O1_68 Al15 O1_67 106.6(4) . .
O1_68 Al15 O1_70 114.6(5) . .
O1_67 Al15 O1_70 107.8(4) . .
O1_68 Al15 O1_69 108.1(4) . .
O1_67 Al15 O1_69 111.1(4) . .
O1_70 Al15 O1_69 108.7(4) . .
C1_67 O1_67 Al15 149.7(7) . .
O1_67 C1_67 C4_67 108.6(8) . .
O1_67 C1_67 C3_67 110.0(8) . .
C4_67 C1_67 C3_67 108.8(8) . .
O1_67 C1_67 C2_67 110.8(8) . .
C4_67 C1_67 C2_67 109.5(8) . .
C3_67 C1_67 C2_67 109.2(8) . .
F1_67 C2_67 F2_67 107.2(8) . .
F1_67 C2_67 F3_67 106.2(8) . .
F2_67 C2_67 F3_67 107.3(8) . .
F1_67 C2_67 C1_67 111.6(8) . .
F2_67 C2_67 C1_67 112.0(8) . .
F3_67 C2_67 C1_67 112.1(8) . .
F4_67 C3_67 F5_67 105.9(8) . .
F4_67 C3_67 F6_67 107.9(8) . .
F5_67 C3_67 F6_67 108.5(8) . .
F4_67 C3_67 C1_67 111.6(8) . .
F5_67 C3_67 C1_67 112.6(8) . .
F6_67 C3_67 C1_67 110.2(8) . .
F9_67 C4_67 F8_67 105.8(8) . .
F9_67 C4_67 F7_67 106.8(8) . .
F8_67 C4_67 F7_67 107.1(8) . .
F9_67 C4_67 C1_67 112.1(8) . .
F8_67 C4_67 C1_67 114.1(8) . .
F7_67 C4_67 C1_67 110.5(8) . .
C1_68 O1_68 Al15 148.0(7) . .
O1_68 C1_68 C2_68 111.4(8) . .
O1_68 C1_68 C4_68 108.8(8) . .
C2_68 C1_68 C4_68 109.8(8) . .
O1_68 C1_68 C3_68 109.7(8) . .
C2_68 C1_68 C3_68 108.3(8) . .
C4_68 C1_68 C3_68 108.8(7) . .
F2_68 C2_68 F1_68 105.8(8) . .
F2_68 C2_68 F3_68 108.0(9) . .
F1_68 C2_68 F3_68 106.3(9) . .
F2_68 C2_68 C1_68 112.7(8) . .
F1_68 C2_68 C1_68 110.4(8) . .
F3_68 C2_68 C1_68 113.2(8) . .
F6_68 C3_68 F5_68 108.7(8) . .
F6_68 C3_68 F4_68 106.4(8) . .
F5_68 C3_68 F4_68 108.4(8) . .
F6_68 C3_68 C1_68 111.1(8) . .
F5_68 C3_68 C1_68 112.8(8) . .
F4_68 C3_68 C1_68 109.3(8) . .
F9_68 C4_68 F8_68 106.3(9) . .
F9_68 C4_68 F7_68 106.8(9) . .
F8_68 C4_68 F7_68 107.9(9) . .
F9_68 C4_68 C1_68 111.6(8) . .
F8_68 C4_68 C1_68 111.2(8) . .
F7_68 C4_68 C1_68 112.6(8) . .
C1_69 O1_69 Al15 151.1(8) . .
O1_69 C1_69 C3_69 110.8(8) . .
O1_69 C1_69 C2_69 108.6(9) . .
C3_69 C1_69 C2_69 109.9(9) . .
O1_69 C1_69 C4_69 110.9(8) . .
C3_69 C1_69 C4_69 107.6(9) . .
C2_69 C1_69 C4_69 109.0(9) . .
F3_69 C2_69 F1_69 109.4(10) . .
F3_69 C2_69 F2_69 108.3(10) . .
F1_69 C2_69 F2_69 105.7(11) . .
F3_69 C2_69 C1_69 113.7(9) . .
F1_69 C2_69 C1_69 110.8(9) . .
F2_69 C2_69 C1_69 108.6(10) . .
F4_69 C3_69 F5_69 108.0(10) . .
F4_69 C3_69 F6_69 106.0(11) . .
F5_69 C3_69 F6_69 107.6(10) . .
F4_69 C3_69 C1_69 113.2(10) . .
F5_69 C3_69 C1_69 112.1(9) . .
F6_69 C3_69 C1_69 109.7(10) . .
F8_69 C4_69 F7_69 108.6(10) . .
F8_69 C4_69 F9_69 107.3(11) . .
F7_69 C4_69 F9_69 107.8(10) . .
F8_69 C4_69 C1_69 111.5(9) . .
F7_69 C4_69 C1_69 113.2(9) . .
F9_69 C4_69 C1_69 108.3(10) . .
C1_70 O1_70 Al15 147.0(8) . .
O1_70 C1_70 C3_70 111.7(9) . .
O1_70 C1_70 C2_70 108.0(9) . .
C3_70 C1_70 C2_70 112.2(9) . .
O1_70 C1_70 C4_70 112.2(9) . .
C3_70 C1_70 C4_70 107.7(9) . .
C2_70 C1_70 C4_70 105.0(9) . .
F1_70 C2_70 F3_70 112.2(10) . .
F1_70 C2_70 F2_70 103.1(11) . .
F3_70 C2_70 F2_70 103.9(10) . .
F1_70 C2_70 C1_70 115.3(9) . .
F3_70 C2_70 C1_70 114.5(9) . .
F2_70 C2_70 C1_70 106.2(10) . .
F4_70 C3_70 F5_70 104.3(10) . .
F4_70 C3_70 F6_70 107.4(10) . .
F5_70 C3_70 F6_70 111.6(10) . .
F4_70 C3_70 C1_70 112.6(10) . .
F5_70 C3_70 C1_70 115.3(9) . .
F6_70 C3_70 C1_70 105.5(9) . .
F9_70 C4_70 F7_70 108.5(9) . .
F9_70 C4_70 F8_70 105.5(10) . .
F7_70 C4_70 F8_70 109.0(10) . .
F9_70 C4_70 C1_70 112.0(9) . .
F7_70 C4_70 C1_70 111.1(9) . .
F8_70 C4_70 C1_70 110.5(10) . .
O1_73 Al16 O1_74 109.4(5) . .
O1_73 Al16 O1_72 112.1(5) . .
O1_74 Al16 O1_72 109.2(5) . .
O1_73 Al16 O1_71 107.4(5) . .
O1_74 Al16 O1_71 111.5(5) . .
O1_72 Al16 O1_71 107.3(5) . .
C1_71 O1_71 Al16 153.9(9) . .
O1_71 C1_71 C4_71 112.6(9) . .
O1_71 C1_71 C3_71 109.5(9) . .
C4_71 C1_71 C3_71 106.7(9) . .
O1_71 C1_71 C2_71 111.1(9) . .
C4_71 C1_71 C2_71 109.9(9) . .
C3_71 C1_71 C2_71 106.7(8) . .
F3_71 C2_71 F1_71 108.4(10) . .
F3_71 C2_71 F2_71 106.6(9) . .
F1_71 C2_71 F2_71 107.8(9) . .
F3_71 C2_71 C1_71 111.7(9) . .
F1_71 C2_71 C1_71 109.0(9) . .
F2_71 C2_71 C1_71 113.2(9) . .
F4_71 C3_71 F6_71 107.8(10) . .
F4_71 C3_71 F5_71 105.7(10) . .
F6_71 C3_71 F5_71 107.0(9) . .
F4_71 C3_71 C1_71 110.6(9) . .
F6_71 C3_71 C1_71 111.5(9) . .
F5_71 C3_71 C1_71 114.0(9) . .
F8_71 C4_71 F9_71 107.7(10) . .
F8_71 C4_71 F7_71 106.3(9) . .
F9_71 C4_71 F7_71 106.2(10) . .
F8_71 C4_71 C1_71 115.3(9) . .
F9_71 C4_71 C1_71 110.5(9) . .
F7_71 C4_71 C1_71 110.2(9) . .
C1_72 O1_72 Al16 147.4(8) . .
O1_72 C1_72 C4_72 110.6(9) . .
O1_72 C1_72 C2_72 111.3(9) . .
C4_72 C1_72 C2_72 107.9(9) . .
O1_72 C1_72 C3_72 107.8(9) . .
C4_72 C1_72 C3_72 109.2(8) . .
C2_72 C1_72 C3_72 110.1(9) . .
F2_72 C2_72 F1_72 108.4(10) . .
F2_72 C2_72 F3_72 107.3(10) . .
F1_72 C2_72 F3_72 106.4(10) . .
F2_72 C2_72 C1_72 113.6(9) . .
F1_72 C2_72 C1_72 111.6(10) . .
F3_72 C2_72 C1_72 109.1(9) . .
F5_72 C3_72 F6_72 107.7(9) . .
F5_72 C3_72 F4_72 106.6(9) . .
F6_72 C3_72 F4_72 106.6(9) . .
F5_72 C3_72 C1_72 112.7(9) . .
F6_72 C3_72 C1_72 111.8(9) . .
F4_72 C3_72 C1_72 111.0(9) . .
F8_72 C4_72 F9_72 105.5(9) . .
F8_72 C4_72 F7_72 106.8(9) . .
F9_72 C4_72 F7_72 105.9(9) . .
F8_72 C4_72 C1_72 114.0(9) . .
F9_72 C4_72 C1_72 112.1(9) . .
F7_72 C4_72 C1_72 111.9(9) . .
C1_73 O1_73 Al16 151.8(8) . .
O1_73 C1_73 C4_73 108.1(9) . .
O1_73 C1_73 C2_73 111.1(9) . .
C4_73 C1_73 C2_73 110.8(9) . .
O1_73 C1_73 C3_73 106.3(9) . .
C4_73 C1_73 C3_73 112.0(9) . .
C2_73 C1_73 C3_73 108.4(9) . .
F3_73 C2_73 F2_73 104.8(10) . .
F3_73 C2_73 F1_73 105.5(10) . .
F2_73 C2_73 F1_73 106.8(10) . .
F3_73 C2_73 C1_73 112.3(9) . .
F2_73 C2_73 C1_73 114.0(9) . .
F1_73 C2_73 C1_73 112.7(10) . .
F6_73 C3_73 F5_73 106.8(10) . .
F6_73 C3_73 F4_73 109.3(10) . .
F5_73 C3_73 F4_73 107.7(10) . .
F6_73 C3_73 C1_73 111.8(10) . .
F5_73 C3_73 C1_73 110.9(9) . .
F4_73 C3_73 C1_73 110.0(9) . .
F7_73 C4_73 F9_73 108.0(10) . .
F7_73 C4_73 F8_73 107.6(10) . .
F9_73 C4_73 F8_73 106.5(10) . .
F7_73 C4_73 C1_73 111.8(9) . .
F9_73 C4_73 C1_73 110.0(9) . .
F8_73 C4_73 C1_73 112.6(10) . .
C1_74 O1_74 Al16 147.2(8) . .
O1_74 C1_74 C2_74 112.3(9) . .
O1_74 C1_74 C3_74 110.3(9) . .
C2_74 C1_74 C3_74 109.3(9) . .
O1_74 C1_74 C4_74 106.6(9) . .
C2_74 C1_74 C4_74 109.1(8) . .
C3_74 C1_74 C4_74 109.2(9) . .
F1_74 C2_74 F3_74 108.3(9) . .
F1_74 C2_74 F2_74 107.0(9) . .
F3_74 C2_74 F2_74 108.2(9) . .
F1_74 C2_74 C1_74 110.3(9) . .
F3_74 C2_74 C1_74 112.2(9) . .
F2_74 C2_74 C1_74 110.6(9) . .
F6_74 C3_74 F5_74 107.3(10) . .
F6_74 C3_74 F4_74 106.4(10) . .
F5_74 C3_74 F4_74 103.8(10) . .
F6_74 C3_74 C1_74 114.3(10) . .
F5_74 C3_74 C1_74 113.1(10) . .
F4_74 C3_74 C1_74 111.2(10) . .
F7_74 C4_74 F8_74 107.5(9) . .
F7_74 C4_74 F9_74 107.9(9) . .
F8_74 C4_74 F9_74 106.9(10) . .
F7_74 C4_74 C1_74 112.8(9) . .
F8_74 C4_74 C1_74 111.9(9) . .
F9_74 C4_74 C1_74 109.6(9) . .
N1_75 In1 N2_76 97.5(3) . .
N1_75 In1 N2_75 68.9(3) . .
N2_76 In1 N2_75 87.7(3) . .
N1_75 In1 N1_76 87.1(3) . .
N2_76 In1 N1_76 69.2(3) . .
N2_75 In1 N1_76 144.5(3) . .
N1_75 In1 In4 153.6(2) . .
N2_76 In1 In4 106.1(2) . .
N2_75 In1 In4 99.8(2) . .
N1_76 In1 In4 112.1(2) . .
N1_75 In1 In2 107.7(2) . .
N2_76 In1 In2 148.5(2) . .
N2_75 In1 In2 118.6(2) . .
N1_76 In1 In2 93.0(2) . .
In4 In1 In2 55.51(3) . .
N1_77 In2 N2_77 71.7(3) . .
N1_77 In2 In4 143.4(3) . .
N2_77 In2 In4 144.8(2) . .
N1_77 In2 In3 101.7(3) . .
N2_77 In2 In3 128.3(2) . .
In4 In2 In3 61.24(4) . .
N1_77 In2 In1 124.1(3) . .
N2_77 In2 In1 99.3(2) . .
In4 In2 In1 61.81(4) . .
In3 In2 In1 123.05(4) . .
N2_78 In3 N1_80 97.1(3) . .
N2_78 In3 N2_80 87.5(4) . .
N1_80 In3 N2_80 70.7(3) . .
N2_78 In3 N1_78 69.6(4) . .
N1_80 In3 N1_78 88.7(3) . .
N2_80 In3 N1_78 147.2(3) . .
N2_78 In3 In4 155.7(2) . .
N1_80 In3 In4 104.6(2) . .
N2_80 In3 In4 109.9(3) . .
N1_78 In3 In4 99.7(2) . .
N2_78 In3 In2 107.9(2) . .
N1_80 In3 In2 149.7(2) . .
N2_80 In3 In2 93.1(2) . .
N1_78 In3 In2 115.6(2) . .
In4 In3 In2 55.92(3) . .
N2_79 In4 N1_79 71.9(3) . .
N2_79 In4 In2 147.2(2) . .
N1_79 In4 In2 140.5(3) . .
N2_79 In4 In3 106.3(3) . .
N1_79 In4 In3 125.1(3) . .
In2 In4 In3 62.84(4) . .
N2_79 In4 In1 119.4(3) . .
N1_79 In4 In1 97.4(3) . .
In2 In4 In1 62.68(4) . .
In3 In4 In1 125.52(4) . .
C5_75 N1_75 C1_75 118.1(11) . .
C5_75 N1_75 In1 120.8(8) . .
C1_75 N1_75 In1 120.7(9) . .
C10_75 N2_75 C6_75 118.6(11) . .
C10_75 N2_75 In1 123.2(9) . .
C6_75 N2_75 In1 117.8(8) . .
N1_75 C1_75 C2_75 122.3(13) . .
N1_75 C1_75 H1_75 118.9 . .
C2_75 C1_75 H1_75 118.9 . .
C3_75 C2_75 C1_75 119.6(13) . .
C3_75 C2_75 H2_75 120.2 . .
C1_75 C2_75 H2_75 120.2 . .
C2_75 C3_75 C4_75 118.3(13) . .
C2_75 C3_75 H3_75 120.8 . .
C4_75 C3_75 H3_75 120.8 . .
C5_75 C4_75 C3_75 120.2(13) . .
C5_75 C4_75 H4_75 119.9 . .
C3_75 C4_75 H4_75 119.9 . .
N1_75 C5_75 C4_75 121.4(12) . .
N1_75 C5_75 C6_75 116.7(11) . .
C4_75 C5_75 C6_75 121.8(12) . .
C7_75 C6_75 N2_75 120.9(12) . .
C7_75 C6_75 C5_75 123.4(12) . .
N2_75 C6_75 C5_75 115.6(11) . .
C6_75 C7_75 C8_75 119.4(13) . .
C6_75 C7_75 H7_75 120.3 . .
C8_75 C7_75 H7_75 120.3 . .
C9_75 C8_75 C7_75 118.6(14) . .
C9_75 C8_75 H8_75 120.7 . .
C7_75 C8_75 H8_75 120.7 . .
C8_75 C9_75 C10_75 120.2(14) . .
C8_75 C9_75 H9_75 119.9 . .
C10_75 C9_75 H9_75 119.9 . .
N2_75 C10_75 C9_75 122.2(13) . .
N2_75 C10_75 H10_75 118.9 . .
C9_75 C10_75 H10_75 118.9 . .
C5_76 N1_76 C1_76 117.9(11) . .
C5_76 N1_76 In1 118.4(8) . .
C1_76 N1_76 In1 122.2(8) . .
C10_76 N2_76 C6_76 118.6(11) . .
C10_76 N2_76 In1 122.1(9) . .
C6_76 N2_76 In1 119.1(8) . .
C2_76 C1_76 N1_76 124.2(12) . .
C2_76 C1_76 H1_76 117.9 . .
N1_76 C1_76 H1_76 117.9 . .
C1_76 C2_76 C3_76 118.4(13) . .
C1_76 C2_76 H2_76 120.8 . .
C3_76 C2_76 H2_76 120.8 . .
C4_76 C3_76 C2_76 116.3(13) . .
C4_76 C3_76 H3_76 121.8 . .
C2_76 C3_76 H3_76 121.8 . .
C5_76 C4_76 C3_76 119.4(13) . .
C5_76 C4_76 H4_76 120.3 . .
C3_76 C4_76 H4_76 120.3 . .
N1_76 C5_76 C4_76 123.7(13) . .
N1_76 C5_76 C6_76 115.8(11) . .
C4_76 C5_76 C6_76 120.5(12) . .
N2_76 C6_76 C7_76 121.0(12) . .
N2_76 C6_76 C5_76 116.6(11) . .
C7_76 C6_76 C5_76 122.4(12) . .
C6_76 C7_76 C9_76 119.8(13) . .
C6_76 C7_76 H7_76 120.1 . .
C9_76 C7_76 H7_76 120.1 . .
C8_76 C9_76 C7_76 119.7(13) . .
C8_76 C9_76 H9_76 120.1 . .
C7_76 C9_76 H9_76 120.1 . .
C9_76 C8_76 C10_76 117.2(13) . .
C9_76 C8_76 H8_76 121.4 . .
C10_76 C8_76 H8_76 121.4 . .
N2_76 C10_76 C8_76 123.6(13) . .
N2_76 C10_76 H10_76 118.2 . .
C8_76 C10_76 H10_76 118.2 . .
C1_77 N1_77 C5_77 116.4(11) . .
C1_77 N1_77 In2 124.9(9) . .
C5_77 N1_77 In2 117.0(8) . .
C10_77 N2_77 C6_77 118.2(11) . .
C10_77 N2_77 In2 124.3(8) . .
C6_77 N2_77 In2 115.0(8) . .
N1_77 C1_77 C2_77 124.6(13) . .
N1_77 C1_77 H1_77 117.7 . .
C2_77 C1_77 H1_77 117.7 . .
C1_77 C2_77 C3_77 116.5(13) . .
C1_77 C2_77 H2_77 121.7 . .
C3_77 C2_77 H2_77 121.7 . .
C4_77 C3_77 C2_77 122.4(13) . .
C4_77 C3_77 H3_77 118.8 . .
C2_77 C3_77 H3_77 118.8 . .
C3_77 C4_77 C5_77 116.6(13) . .
C3_77 C4_77 H4_77 121.7 . .
C5_77 C4_77 H4_77 121.7 . .
N1_77 C5_77 C4_77 123.4(12) . .
N1_77 C5_77 C6_77 116.1(12) . .
C4_77 C5_77 C6_77 120.5(12) . .
N2_77 C6_77 C7_77 119.9(12) . .
N2_77 C6_77 C5_77 116.5(11) . .
C7_77 C6_77 C5_77 123.6(12) . .
C8_77 C7_77 C6_77 120.6(13) . .
C8_77 C7_77 H7_77 119.7 . .
C6_77 C7_77 H7_77 119.7 . .
C7_77 C8_77 C9_77 119.2(13) . .
C7_77 C8_77 H8_77 120.4 . .
C9_77 C8_77 H8_77 120.4 . .
C10_77 C9_77 C8_77 118.2(13) . .
C10_77 C9_77 H9_77 120.9 . .
C8_77 C9_77 H9_77 120.9 . .
N2_77 C10_77 C9_77 123.9(13) . .
N2_77 C10_77 H10_77 118.1 . .
C9_77 C10_77 H10_77 118.1 . .
C5_78 N1_78 C1_78 121.0(11) . .
C5_78 N1_78 In3 118.0(8) . .
C1_78 N1_78 In3 119.6(8) . .
C6_78 N2_78 C10_78 118.8(11) . .
C6_78 N2_78 In3 118.3(8) . .
C10_78 N2_78 In3 122.8(9) . .
N1_78 C1_78 C2_78 120.4(13) . .
N1_78 C1_78 H1_78 119.8 . .
C2_78 C1_78 H1_78 119.8 . .
C3_78 C2_78 C1_78 118.9(13) . .
C3_78 C2_78 H2_78 120.5 . .
C1_78 C2_78 H2_78 120.5 . .
C2_78 C3_78 C4_78 118.5(13) . .
C2_78 C3_78 H3_78 120.7 . .
C4_78 C3_78 H3_78 120.7 . .
C5_78 C4_78 C3_78 119.6(13) . .
C5_78 C4_78 H4_78 120.2 . .
C3_78 C4_78 H4_78 120.2 . .
N1_78 C5_78 C4_78 121.3(12) . .
N1_78 C5_78 C6_78 112.9(11) . .
C4_78 C5_78 C6_78 125.7(13) . .
N2_78 C6_78 C7_78 119.1(12) . .
N2_78 C6_78 C5_78 120.3(11) . .
C7_78 C6_78 C5_78 120.6(12) . .
C8_78 C7_78 C6_78 120.4(14) . .
C8_78 C7_78 H7_78 119.8 . .
C6_78 C7_78 H7_78 119.8 . .
C7_78 C8_78 C9_78 119.6(14) . .
C7_78 C8_78 H8_78 120.2 . .
C9_78 C8_78 H8_78 120.2 . .
C10_78 C9_78 C8_78 118.4(14) . .
C10_78 C9_78 H9_78 120.8 . .
C8_78 C9_78 H9_78 120.8 . .
C9_78 C10_78 N2_78 123.6(14) . .
C9_78 C10_78 H10_78 118.2 . .
N2_78 C10_78 H10_78 118.2 . .
C5_79 N1_79 C1_79 117.3(11) . .
C5_79 N1_79 In4 114.6(8) . .
C1_79 N1_79 In4 124.7(9) . .
C10_79 N2_79 C6_79 118.8(11) . .
C10_79 N2_79 In4 123.6(9) . .
C6_79 N2_79 In4 116.9(8) . .
C2_79 C1_79 N1_79 124.5(13) . .
C2_79 C1_79 H1_79 117.8 . .
N1_79 C1_79 H1_79 117.8 . .
C3_79 C2_79 C1_79 118.5(13) . .
C3_79 C2_79 H2_79 120.8 . .
C1_79 C2_79 H2_79 120.8 . .
C2_79 C3_79 C4_79 120.3(13) . .
C2_79 C3_79 H3_79 119.8 . .
C4_79 C3_79 H3_79 119.8 . .
C5_79 C4_79 C3_79 116.5(13) . .
C5_79 C4_79 H4_79 121.7 . .
C3_79 C4_79 H4_79 121.7 . .
N1_79 C5_79 C4_79 122.8(12) . .
N1_79 C5_79 C6_79 116.6(11) . .
C4_79 C5_79 C6_79 120.6(12) . .
N2_79 C6_79 C7_79 122.9(12) . .
N2_79 C6_79 C5_79 116.1(11) . .
C7_79 C6_79 C5_79 121.0(12) . .
C6_79 C7_79 C8_79 117.8(13) . .
C6_79 C7_79 H7_79 121.1 . .
C8_79 C7_79 H7_79 121.1 . .
C7_79 C8_79 C9_79 119.8(14) . .
C7_79 C8_79 H8_79 120.1 . .
C9_79 C8_79 H8_79 120.1 . .
C10_79 C9_79 C8_79 118.1(13) . .
C10_79 C9_79 H9_79 120.9 . .
C8_79 C9_79 H9_79 120.9 . .
N2_79 C10_79 C9_79 122.4(13) . .
N2_79 C10_79 H10_79 118.8 . .
C9_79 C10_79 H10_79 118.8 . .
C5_80 N1_80 C1_80 117.9(11) . .
C5_80 N1_80 In3 118.5(8) . .
C1_80 N1_80 In3 123.5(8) . .
C10_80 N2_80 C6_80 120.1(11) . .
C10_80 N2_80 In3 122.5(8) . .
C6_80 N2_80 In3 116.4(8) . .
C2_80 C1_80 N1_80 123.0(12) . .
C2_80 C1_80 H1_80 118.5 . .
N1_80 C1_80 H1_80 118.5 . .
C1_80 C2_80 C3_80 120.2(13) . .
C1_80 C2_80 H2_80 119.9 . .
C3_80 C2_80 H2_80 119.9 . .
C2_80 C3_80 C4_80 117.1(13) . .
C2_80 C3_80 H3_80 121.4 . .
C4_80 C3_80 H3_80 121.4 . .
C3_80 C4_80 C5_80 121.3(13) . .
C3_80 C4_80 H4_80 119.4 . .
C5_80 C4_80 H4_80 119.4 . .
N1_80 C5_80 C4_80 120.3(12) . .
N1_80 C5_80 C6_80 116.6(11) . .
C4_80 C5_80 C6_80 123.1(11) . .
N2_80 C6_80 C7_80 120.7(12) . .
N2_80 C6_80 C5_80 117.0(11) . .
C7_80 C6_80 C5_80 122.2(12) . .
C8_80 C7_80 C6_80 118.2(13) . .
C8_80 C7_80 H7_80 120.9 . .
C6_80 C7_80 H7_80 120.9 . .
C9_80 C8_80 C7_80 120.3(13) . .
C9_80 C8_80 H8_80 119.8 . .
C7_80 C8_80 H8_80 119.8 . .
C8_80 C9_80 C10_80 117.9(13) . .
C8_80 C9_80 H9_80 121.1 . .
C10_80 C9_80 H9_80 121.1 . .
N2_80 C10_80 C9_80 122.7(12) . .
N2_80 C10_80 H10_80 118.6 . .
C9_80 C10_80 H10_80 118.6 . .
N1_82 In5 N1_81 101.8(3) . .
N1_82 In5 N2_81 86.4(4) . .
N1_81 In5 N2_81 70.2(3) . .
N1_82 In5 N2_82 70.0(4) . .
N1_81 In5 N2_82 85.1(3) . .
N2_81 In5 N2_82 141.6(4) . .
N1_82 In5 In6 150.3(2) . .
N1_81 In5 In6 103.9(2) . .
N2_81 In5 In6 116.2(3) . .
N2_82 In5 In6 97.7(2) . .
N1_82 In5 In8 102.6(2) . .
N1_81 In5 In8 153.7(2) . .
N2_81 In5 In8 101.6(3) . .
N2_82 In5 In8 112.6(2) . .
In6 In5 In8 56.10(3) . .
N1_84 In6 N2_84 72.0(3) . .
N1_84 In6 In8 145.4(3) . .
N2_84 In6 In8 142.6(3) . .
N1_84 In6 In5 101.2(3) . .
N2_84 In6 In5 123.9(3) . .
In8 In6 In5 63.71(4) . .
N1_84 In6 In7 122.6(3) . .
N2_84 In6 In7 98.2(3) . .
In8 In6 In7 63.70(4) . .
In5 In6 In7 127.41(4) . .
N2_85 In7 N1_86 99.8(3) . .
N2_85 In7 N1_85 68.9(4) . .
N1_86 In7 N1_85 86.1(3) . .
N2_85 In7 N2_86 86.6(4) . .
N1_86 In7 N2_86 68.7(3) . .
N1_85 In7 N2_86 141.4(4) . .
N2_85 In7 In6 150.5(2) . .
N1_86 In7 In6 106.1(2) . .
N1_85 In7 In6 98.7(3) . .
N2_86 In7 In6 115.7(3) . .
N2_85 In7 In8 103.2(2) . .
N1_86 In7 In8 153.9(2) . .
N1_85 In7 In8 113.6(2) . .
N2_86 In7 In8 100.3(3) . .
In6 In7 In8 55.98(3) . .
N2_83 In8 N1_83 71.2(3) . .
N2_83 In8 In6 143.7(3) . .
N1_83 In8 In6 145.0(3) . .
N2_83 In8 In5 128.1(2) . .
N1_83 In8 In5 102.9(3) . .
In6 In8 In5 60.19(4) . .
N2_83 In8 In7 100.7(3) . .
N1_83 In8 In7 126.0(3) . .
In6 In8 In7 60.32(4) . .
In5 In8 In7 120.51(4) . .
C1_81 N1_81 C5_81 118.8(11) . .
C1_81 N1_81 In5 123.2(9) . .
C5_81 N1_81 In5 117.5(8) . .
C10_81 N2_81 C6_81 119.0(11) . .
C10_81 N2_81 In5 124.2(9) . .
C6_81 N2_81 In5 115.9(8) . .
N1_81 C1_81 C2_81 123.5(13) . .
N1_81 C1_81 H1_81 118.3 . .
C2_81 C1_81 H1_81 118.3 . .
C3_81 C2_81 C1_81 117.8(13) . .
C3_81 C2_81 H2_81 121.1 . .
C1_81 C2_81 H2_81 121.1 . .
C4_81 C3_81 C2_81 118.5(14) . .
C4_81 C3_81 H3_81 120.7 . .
C2_81 C3_81 H3_81 120.7 . .
C3_81 C4_81 C5_81 120.2(13) . .
C3_81 C4_81 H4_81 119.9 . .
C5_81 C4_81 H4_81 119.9 . .
N1_81 C5_81 C4_81 121.2(12) . .
N1_81 C5_81 C6_81 118.9(11) . .
C4_81 C5_81 C6_81 119.8(11) . .
N2_81 C6_81 C7_81 120.0(12) . .
N2_81 C6_81 C5_81 114.7(10) . .
C7_81 C6_81 C5_81 125.2(12) . .
C8_81 C7_81 C6_81 120.0(13) . .
C8_81 C7_81 H7_81 120.0 . .
C6_81 C7_81 H7_81 120.0 . .
C7_81 C8_81 C9_81 121.1(13) . .
C7_81 C8_81 H8_81 119.5 . .
C9_81 C8_81 H8_81 119.5 . .
C8_81 C9_81 C10_81 118.9(13) . .
C8_81 C9_81 H9_81 120.6 . .
C10_81 C9_81 H9_81 120.6 . .
N2_81 C10_81 C9_81 120.8(13) . .
N2_81 C10_81 H10_81 119.6 . .
C9_81 C10_81 H10_81 119.6 . .
C5_82 N1_82 C1_82 117.4(11) . .
C5_82 N1_82 In5 120.2(8) . .
C1_82 N1_82 In5 122.0(9) . .
C10_82 N2_82 C6_82 118.4(11) . .
C10_82 N2_82 In5 124.6(9) . .
C6_82 N2_82 In5 116.9(8) . .
N1_82 C1_82 C2_82 123.9(13) . .
N1_82 C1_82 H1_82 118.0 . .
C2_82 C1_82 H1_82 118.0 . .
C1_82 C2_82 C3_82 119.2(14) . .
C1_82 C2_82 H2_82 120.4 . .
C3_82 C2_82 H2_82 120.4 . .
C2_82 C3_82 C4_82 117.9(14) . .
C2_82 C3_82 H3_82 121.1 . .
C4_82 C3_82 H3_82 121.1 . .
C5_82 C4_82 C3_82 119.8(14) . .
C5_82 C4_82 H4_82 120.1 . .
C3_82 C4_82 H4_82 120.1 . .
N1_82 C5_82 C4_82 121.8(12) . .
N1_82 C5_82 C6_82 116.9(11) . .
C4_82 C5_82 C6_82 121.2(12) . .
N2_82 C6_82 C7_82 120.2(12) . .
N2_82 C6_82 C5_82 115.9(11) . .
C7_82 C6_82 C5_82 123.9(12) . .
C8_82 C7_82 C6_82 119.5(13) . .
C8_82 C7_82 H7_82 120.2 . .
C6_82 C7_82 H7_82 120.2 . .
C9_82 C8_82 C7_82 120.6(13) . .
C9_82 C8_82 H8_82 119.7 . .
C7_82 C8_82 H8_82 119.7 . .
C8_82 C9_82 C10_82 117.4(14) . .
C8_82 C9_82 H9_82 121.3 . .
C10_82 C9_82 H9_82 121.3 . .
N2_82 C10_82 C9_82 123.7(13) . .
N2_82 C10_82 H10_82 118.1 . .
C9_82 C10_82 H10_82 118.1 . .
C1_83 N1_83 C5_83 120.5(12) . .
C1_83 N1_83 In8 122.3(9) . .
C5_83 N1_83 In8 115.1(8) . .
C6_83 N2_83 C10_83 117.7(11) . .
C6_83 N2_83 In8 115.4(8) . .
C10_83 N2_83 In8 123.6(8) . .
N1_83 C1_83 C2_83 121.1(13) . .
N1_83 C1_83 H1_83 119.5 . .
C2_83 C1_83 H1_83 119.5 . .
C3_83 C2_83 C1_83 118.7(13) . .
C3_83 C2_83 H2_83 120.6 . .
C1_83 C2_83 H2_83 120.6 . .
C4_83 C3_83 C2_83 118.8(13) . .
C4_83 C3_83 H3_83 120.6 . .
C2_83 C3_83 H3_83 120.6 . .
C3_83 C4_83 C5_83 120.9(13) . .
C3_83 C4_83 H4_83 119.5 . .
C5_83 C4_83 H4_83 119.5 . .
N1_83 C5_83 C4_83 119.9(12) . .
N1_83 C5_83 C6_83 117.1(12) . .
C4_83 C5_83 C6_83 122.9(13) . .
N2_83 C6_83 C7_83 119.7(12) . .
N2_83 C6_83 C5_83 116.4(12) . .
C7_83 C6_83 C5_83 123.9(13) . .
C8_83 C7_83 C6_83 120.8(13) . .
C8_83 C7_83 H7_83 119.6 . .
C6_83 C7_83 H7_83 119.6 . .
C7_83 C8_83 C9_83 120.7(13) . .
C7_83 C8_83 H8_83 119.6 . .
C9_83 C8_83 H8_83 119.6 . .
C10_83 C9_83 C8_83 116.8(13) . .
C10_83 C9_83 H9_83 121.6 . .
C8_83 C9_83 H9_83 121.6 . .
C9_83 C10_83 N2_83 124.3(12) . .
C9_83 C10_83 H10_83 117.9 . .
N2_83 C10_83 H10_83 117.9 . .
C5_84 N1_84 C1_84 117.8(11) . .
C5_84 N1_84 In6 116.6(8) . .
C1_84 N1_84 In6 123.4(8) . .
C10_84 N2_84 C6_84 116.6(11) . .
C10_84 N2_84 In6 124.7(8) . .
C6_84 N2_84 In6 114.8(8) . .
N1_84 C1_84 C2_84 125.3(12) . .
N1_84 C1_84 H1_84 117.3 . .
C2_84 C1_84 H1_84 117.3 . .
C1_84 C2_84 C3_84 115.8(12) . .
C1_84 C2_84 H2_84 122.1 . .
C3_84 C2_84 H2_84 122.1 . .
C4_84 C3_84 C2_84 121.1(13) . .
C4_84 C3_84 H3_84 119.5 . .
C2_84 C3_84 H3_84 119.5 . .
C3_84 C4_84 C5_84 119.4(12) . .
C3_84 C4_84 H4_84 120.3 . .
C5_84 C4_84 H4_84 120.3 . .
N1_84 C5_84 C4_84 120.5(11) . .
N1_84 C5_84 C6_84 117.8(12) . .
C4_84 C5_84 C6_84 121.7(12) . .
C7_84 C6_84 N2_84 122.5(11) . .
C7_84 C6_84 C5_84 123.0(13) . .
N2_84 C6_84 C5_84 114.4(12) . .
C6_84 C7_84 C8_84 119.6(12) . .
C6_84 C7_84 H7_84 120.2 . .
C8_84 C7_84 H7_84 120.2 . .
C9_84 C8_84 C7_84 116.9(12) . .
C9_84 C8_84 H8_84 121.6 . .
C7_84 C8_84 H8_84 121.6 . .
C10_84 C9_84 C8_84 120.0(13) . .
C10_84 C9_84 H9_84 120.0 . .
C8_84 C9_84 H9_84 120.0 . .
N2_84 C10_84 C9_84 124.3(13) . .
N2_84 C10_84 H10_84 117.9 . .
C9_84 C10_84 H10_84 117.9 . .
C5_85 N1_85 C1_85 119.2(11) . .
C5_85 N1_85 In7 119.3(8) . .
C1_85 N1_85 In7 121.5(8) . .
C6_85 N2_85 C10_85 118.8(11) . .
C6_85 N2_85 In7 119.6(8) . .
C10_85 N2_85 In7 121.4(9) . .
N1_85 C1_85 C2_85 120.2(13) . .
N1_85 C1_85 H1_85 119.9 . .
C2_85 C1_85 H1_85 119.9 . .
C3_85 C2_85 C1_85 119.1(14) . .
C3_85 C2_85 H2_85 120.4 . .
C1_85 C2_85 H2_85 120.4 . .
C2_85 C3_85 C4_85 120.0(13) . .
C2_85 C3_85 H3_85 120.0 . .
C4_85 C3_85 H3_85 120.0 . .
C5_85 C4_85 C3_85 118.8(13) . .
C5_85 C4_85 H4_85 120.6 . .
C3_85 C4_85 H4_85 120.6 . .
N1_85 C5_85 C4_85 122.7(12) . .
N1_85 C5_85 C6_85 114.9(11) . .
C4_85 C5_85 C6_85 122.4(12) . .
N2_85 C6_85 C7_85 119.0(12) . .
N2_85 C6_85 C5_85 117.2(11) . .
C7_85 C6_85 C5_85 123.7(12) . .
C8_85 C7_85 C6_85 121.5(14) . .
C8_85 C7_85 H7_85 119.3 . .
C6_85 C7_85 H7_85 119.3 . .
C7_85 C8_85 C9_85 120.3(14) . .
C7_85 C8_85 H8_85 119.8 . .
C9_85 C8_85 H8_85 119.8 . .
C8_85 C9_85 C10_85 117.9(14) . .
C8_85 C9_85 H9_85 121.0 . .
C10_85 C9_85 H9_85 121.0 . .
N2_85 C10_85 C9_85 122.5(14) . .
N2_85 C10_85 H10_85 118.8 . .
C9_85 C10_85 H10_85 118.8 . .
C1_86 N1_86 C5_86 118.1(11) . .
C1_86 N1_86 In7 122.6(8) . .
C5_86 N1_86 In7 119.1(8) . .
C6_86 N2_86 C10_86 120.4(12) . .
C6_86 N2_86 In7 117.9(8) . .
C10_86 N2_86 In7 121.0(9) . .
N1_86 C1_86 C2_86 122.4(13) . .
N1_86 C1_86 H1_86 118.8 . .
C2_86 C1_86 H1_86 118.8 . .
C3_86 C2_86 C1_86 119.0(14) . .
C3_86 C2_86 H2_86 120.5 . .
C1_86 C2_86 H2_86 120.5 . .
C2_86 C3_86 C4_86 120.0(14) . .
C2_86 C3_86 H3_86 120.0 . .
C4_86 C3_86 H3_86 120.0 . .
C3_86 C4_86 C5_86 119.6(12) . .
C3_86 C4_86 H4_86 120.2 . .
C5_86 C4_86 H4_86 120.2 . .
N1_86 C5_86 C4_86 120.9(12) . .
N1_86 C5_86 C6_86 115.6(11) . .
C4_86 C5_86 C6_86 123.5(11) . .
N2_86 C6_86 C7_86 123.9(12) . .
N2_86 C6_86 C5_86 116.0(11) . .
C7_86 C6_86 C5_86 120.0(12) . .
C8_86 C7_86 C6_86 114.3(14) . .
C8_86 C7_86 H7_86 122.9 . .
C6_86 C7_86 H7_86 122.9 . .
C9_86 C8_86 C7_86 121.3(15) . .
C9_86 C8_86 H8_86 119.3 . .
C7_86 C8_86 H8_86 119.3 . .
C8_86 C9_86 C10_86 120.7(14) . .
C8_86 C9_86 H9_86 119.7 . .
C10_86 C9_86 H9_86 119.7 . .
N2_86 C10_86 C9_86 119.2(14) . .
N2_86 C10_86 H10_86 120.4 . .
C9_86 C10_86 H10_86 120.4 . .
N1_88 In9 N2_87 99.0(3) . .
N1_88 In9 N1_87 87.7(3) . .
N2_87 In9 N1_87 69.5(3) . .
N1_88 In9 N2_88 69.8(3) . .
N2_87 In9 N2_88 88.9(4) . .
N1_87 In9 N2_88 146.2(3) . .
N1_88 In9 In10 152.5(2) . .
N2_87 In9 In10 105.5(2) . .
N1_87 In9 In10 112.4(2) . .
N2_88 In9 In10 98.0(3) . .
N1_88 In9 In12 107.4(2) . .
N2_87 In9 In12 147.0(2) . .
N1_87 In9 In12 91.8(2) . .
N2_88 In9 In12 118.4(3) . .
In10 In9 In12 55.59(3) . .
N2_90 In10 N1_90 72.4(3) . .
N2_90 In10 In12 141.8(3) . .
N1_90 In10 In12 145.2(2) . .
N2_90 In10 In9 118.0(3) . .
N1_90 In10 In9 98.9(2) . .
In12 In10 In9 63.16(4) . .
N2_90 In10 In11 104.1(3) . .
N1_90 In10 In11 126.9(2) . .
In12 In10 In11 62.50(4) . .
In9 In10 In11 125.65(4) . .
N2_92 In11 N2_91 98.8(3) . .
N2_92 In11 N1_91 89.0(3) . .
N2_91 In11 N1_91 69.3(4) . .
N2_92 In11 N1_92 69.3(4) . .
N2_91 In11 N1_92 87.2(4) . .
N1_91 In11 N1_92 145.4(4) . .
N2_92 In11 In10 104.0(2) . .
N2_91 In11 In10 154.6(2) . .
N1_91 In11 In10 99.9(2) . .
N1_92 In11 In10 111.1(3) . .
N2_92 In11 In12 148.0(2) . .
N2_91 In11 In12 107.5(2) . .
N1_91 In11 In12 116.9(2) . .
N1_92 In11 In12 93.7(3) . .
In10 In11 In12 55.77(3) . .
N2_89 In12 N1_89 71.2(4) . .
N2_89 In12 In10 146.7(3) . .
N1_89 In12 In10 142.1(3) . .
N2_89 In12 In11 126.0(3) . .
N1_89 In12 In11 100.5(3) . .
In10 In12 In11 61.74(4) . .
N2_89 In12 In9 101.9(3) . .
N1_89 In12 In9 125.2(2) . .
In10 In12 In9 61.25(4) . .
In11 In12 In9 122.99(4) . .
C5_87 N1_87 C1_87 118.5(11) . .
C5_87 N1_87 In9 117.6(8) . .
C1_87 N1_87 In9 122.0(8) . .
C6_87 N2_87 C10_87 119.5(11) . .
C6_87 N2_87 In9 118.8(8) . .
C10_87 N2_87 In9 121.6(9) . .
N1_87 C1_87 C2_87 122.4(13) . .
N1_87 C1_87 H1_87 118.8 . .
C2_87 C1_87 H1_87 118.8 . .
C3_87 C2_87 C1_87 117.7(14) . .
C3_87 C2_87 H2_87 121.2 . .
C1_87 C2_87 H2_87 121.2 . .
C2_87 C3_87 C4_87 122.5(14) . .
C2_87 C3_87 H3_87 118.8 . .
C4_87 C3_87 H3_87 118.8 . .
C3_87 C4_87 C5_87 118.0(13) . .
C3_87 C4_87 H4_87 121.0 . .
C5_87 C4_87 H4_87 121.0 . .
N1_87 C5_87 C4_87 120.8(12) . .
N1_87 C5_87 C6_87 116.0(11) . .
C4_87 C5_87 C6_87 123.1(12) . .
N2_87 C6_87 C7_87 121.0(12) . .
N2_87 C6_87 C5_87 117.3(11) . .
C7_87 C6_87 C5_87 121.6(12) . .
C8_87 C7_87 C6_87 121.1(14) . .
C8_87 C7_87 H7_87 119.4 . .
C6_87 C7_87 H7_87 119.4 . .
C7_87 C8_87 C9_87 118.3(14) . .
C7_87 C8_87 H8_87 120.8 . .
C9_87 C8_87 H8_87 120.8 . .
C8_87 C9_87 C10_87 119.5(13) . .
C8_87 C9_87 H9_87 120.3 . .
C10_87 C9_87 H9_87 120.3 . .
N2_87 C10_87 C9_87 120.5(13) . .
N2_87 C10_87 H10_87 119.7 . .
C9_87 C10_87 H10_87 119.7 . .
C5_88 N1_88 C1_88 119.4(11) . .
C5_88 N1_88 In9 118.8(8) . .
C1_88 N1_88 In9 121.3(8) . .
C6_88 N2_88 C10_88 119.7(12) . .
C6_88 N2_88 In9 117.4(8) . .
C10_88 N2_88 In9 122.6(9) . .
C2_88 C1_88 N1_88 122.2(12) . .
C2_88 C1_88 H1_88 118.9 . .
N1_88 C1_88 H1_88 118.9 . .
C3_88 C2_88 C1_88 120.2(13) . .
C3_88 C2_88 H2_88 119.9 . .
C1_88 C2_88 H2_88 119.9 . .
C2_88 C3_88 C4_88 119.5(13) . .
C2_88 C3_88 H3_88 120.2 . .
C4_88 C3_88 H3_88 120.2 . .
C5_88 C4_88 C3_88 118.4(13) . .
C5_88 C4_88 H4_88 120.8 . .
C3_88 C4_88 H4_88 120.8 . .
N1_88 C5_88 C4_88 120.4(12) . .
N1_88 C5_88 C6_88 118.3(11) . .
C4_88 C5_88 C6_88 121.3(12) . .
N2_88 C6_88 C7_88 120.1(12) . .
N2_88 C6_88 C5_88 115.3(11) . .
C7_88 C6_88 C5_88 124.6(12) . .
C8_88 C7_88 C6_88 120.7(14) . .
C8_88 C7_88 H7_88 119.7 . .
C6_88 C7_88 H7_88 119.7 . .
C9_88 C8_88 C7_88 119.2(14) . .
C9_88 C8_88 H8_88 120.4 . .
C7_88 C8_88 H8_88 120.4 . .
C8_88 C9_88 C10_88 117.8(14) . .
C8_88 C9_88 H9_88 121.1 . .
C10_88 C9_88 H9_88 121.1 . .
N2_88 C10_88 C9_88 122.4(14) . .
N2_88 C10_88 H10_88 118.8 . .
C9_88 C10_88 H10_88 118.8 . .
C5_89 N1_89 C1_89 119.6(11) . .
C5_89 N1_89 In12 116.2(8) . .
C1_89 N1_89 In12 122.8(9) . .
C10_89 N2_89 C6_89 119.1(11) . .
C10_89 N2_89 In12 123.0(8) . .
C6_89 N2_89 In12 114.8(8) . .
N1_89 C1_89 C2_89 123.5(13) . .
N1_89 C1_89 H1_89 118.3 . .
C2_89 C1_89 H1_89 118.3 . .
C3_89 C2_89 C1_89 116.7(14) . .
C3_89 C2_89 H2_89 121.6 . .
C1_89 C2_89 H2_89 121.6 . .
C4_89 C3_89 C2_89 120.0(13) . .
C4_89 C3_89 H3_89 120.0 . .
C2_89 C3_89 H3_89 120.0 . .
C3_89 C4_89 C5_89 120.9(13) . .
C3_89 C4_89 H4_89 119.5 . .
C5_89 C4_89 H4_89 119.5 . .
N1_89 C5_89 C4_89 119.2(12) . .
N1_89 C5_89 C6_89 116.6(12) . .
C4_89 C5_89 C6_89 124.3(13) . .
C7_89 C6_89 N2_89 118.9(12) . .
C7_89 C6_89 C5_89 123.8(12) . .
N2_89 C6_89 C5_89 117.3(12) . .
C8_89 C7_89 C6_89 121.6(13) . .
C8_89 C7_89 H7_89 119.2 . .
C6_89 C7_89 H7_89 119.2 . .
C7_89 C8_89 C9_89 120.3(13) . .
C7_89 C8_89 H8_89 119.9 . .
C9_89 C8_89 H8_89 119.9 . .
C10_89 C9_89 C8_89 115.9(13) . .
C10_89 C9_89 H9_89 122.0 . .
C8_89 C9_89 H9_89 122.0 . .
N2_89 C10_89 C9_89 124.1(13) . .
N2_89 C10_89 H10_89 117.9 . .
C9_89 C10_89 H10_89 117.9 . .
C1_90 N1_90 C5_90 119.8(11) . .
C1_90 N1_90 In10 122.3(8) . .
C5_90 N1_90 In10 114.0(8) . .
C10_90 N2_90 C6_90 118.5(11) . .
C10_90 N2_90 In10 124.3(9) . .
C6_90 N2_90 In10 115.1(8) . .
N1_90 C1_90 C2_90 120.3(13) . .
N1_90 C1_90 H1_90 119.8 . .
C2_90 C1_90 H1_90 119.8 . .
C3_90 C2_90 C1_90 118.3(13) . .
C3_90 C2_90 H2_90 120.8 . .
C1_90 C2_90 H2_90 120.8 . .
C4_90 C3_90 C2_90 119.5(15) . .
C4_90 C3_90 H3_90 120.3 . .
C2_90 C3_90 H3_90 120.3 . .
C3_90 C4_90 C5_90 122.6(14) . .
C3_90 C4_90 H4_90 118.7 . .
C5_90 C4_90 H4_90 118.7 . .
N1_90 C5_90 C4_90 119.3(12) . .
N1_90 C5_90 C6_90 115.9(11) . .
C4_90 C5_90 C6_90 124.7(12) . .
N2_90 C6_90 C7_90 118.9(11) . .
N2_90 C6_90 C5_90 117.2(11) . .
C7_90 C6_90 C5_90 123.9(12) . .
C8_90 C7_90 C6_90 121.2(13) . .
C8_90 C7_90 H7_90 119.4 . .
C6_90 C7_90 H7_90 119.4 . .
C7_90 C8_90 C9_90 119.3(13) . .
C7_90 C8_90 H8_90 120.3 . .
C9_90 C8_90 H8_90 120.3 . .
C10_90 C9_90 C8_90 117.5(14) . .
C10_90 C9_90 H9_90 121.3 . .
C8_90 C9_90 H9_90 121.3 . .
N2_90 C10_90 C9_90 124.5(14) . .
N2_90 C10_90 H10_90 117.7 . .
C9_90 C10_90 H10_90 117.7 . .
C1_91 N1_91 C5_91 116.5(11) . .
C1_91 N1_91 In11 123.3(9) . .
C5_91 N1_91 In11 119.0(8) . .
C10_91 N2_91 C6_91 120.0(11) . .
C10_91 N2_91 In11 120.6(9) . .
C6_91 N2_91 In11 119.3(8) . .
C2_91 C1_91 N1_91 123.5(14) . .
C2_91 C1_91 H1_91 118.3 . .
N1_91 C1_91 H1_91 118.3 . .
C1_91 C2_91 C3_91 118.9(14) . .
C1_91 C2_91 H2_91 120.6 . .
C3_91 C2_91 H2_91 120.6 . .
C4_91 C3_91 C2_91 120.7(14) . .
C4_91 C3_91 H3_91 119.7 . .
C2_91 C3_91 H3_91 119.7 . .
C3_91 C4_91 C5_91 119.0(14) . .
C3_91 C4_91 H4_91 120.5 . .
C5_91 C4_91 H4_91 120.5 . .
C4_91 C5_91 N1_91 121.5(12) . .
C4_91 C5_91 C6_91 124.0(12) . .
N1_91 C5_91 C6_91 114.4(11) . .
N2_91 C6_91 C7_91 120.0(12) . .
N2_91 C6_91 C5_91 117.2(11) . .
C7_91 C6_91 C5_91 122.8(13) . .
C6_91 C7_91 C8_91 120.7(14) . .
C6_91 C7_91 H7_91 119.6 . .
C8_91 C7_91 H7_91 119.6 . .
C9_91 C8_91 C7_91 116.1(13) . .
C9_91 C8_91 H8_91 122.0 . .
C7_91 C8_91 H8_91 122.0 . .
C8_91 C9_91 C10_91 124.1(14) . .
C8_91 C9_91 H9_91 117.9 . .
C10_91 C9_91 H9_91 117.9 . .
C9_91 C10_91 N2_91 119.0(13) . .
C9_91 C10_91 H10_91 120.5 . .
N2_91 C10_91 H10_91 120.5 . .
C5_92 N1_92 C1_92 118.2(11) . .
C5_92 N1_92 In11 119.0(8) . .
C1_92 N1_92 In11 121.7(8) . .
C10_92 N2_92 C6_92 118.7(11) . .
C10_92 N2_92 In11 122.4(9) . .
C6_92 N2_92 In11 118.1(8) . .
C2_92 C1_92 N1_92 122.5(12) . .
C2_92 C1_92 H1_92 118.7 . .
N1_92 C1_92 H1_92 118.7 . .
C1_92 C2_92 C3_92 118.6(13) . .
C1_92 C2_92 H2_92 120.7 . .
C3_92 C2_92 H2_92 120.7 . .
C4_92 C3_92 C2_92 119.2(13) . .
C4_92 C3_92 H3_92 120.4 . .
C2_92 C3_92 H3_92 120.4 . .
C3_92 C4_92 C5_92 120.0(13) . .
C3_92 C4_92 H4_92 120.0 . .
C5_92 C4_92 H4_92 120.0 . .
N1_92 C5_92 C4_92 121.3(12) . .
N1_92 C5_92 C6_92 114.9(11) . .
C4_92 C5_92 C6_92 123.8(12) . .
N2_92 C6_92 C7_92 119.2(12) . .
N2_92 C6_92 C5_92 117.9(11) . .
C7_92 C6_92 C5_92 122.9(12) . .
C8_92 C7_92 C6_92 121.2(12) . .
C8_92 C7_92 H7_92 119.4 . .
C6_92 C7_92 H7_92 119.4 . .
C9_92 C8_92 C7_92 118.2(13) . .
C9_92 C8_92 H8_92 120.9 . .
C7_92 C8_92 H8_92 120.9 . .
C8_92 C9_92 C10_92 118.4(13) . .
C8_92 C9_92 H9_92 120.8 . .
C10_92 C9_92 H9_92 120.8 . .
N2_92 C10_92 C9_92 124.3(13) . .
N2_92 C10_92 H10_92 117.9 . .
C9_92 C10_92 H10_92 117.9 . .
N1_94 In13 N2_93 96.6(3) . .
N1_94 In13 N2_94 68.7(4) . .
N2_93 In13 N2_94 88.8(3) . .
N1_94 In13 N1_93 86.0(4) . .
N2_93 In13 N1_93 69.8(3) . .
N2_94 In13 N1_93 144.9(3) . .
N1_94 In13 In14 109.0(2) . .
N2_93 In13 In14 149.6(2) . .
N2_94 In13 In14 115.3(2) . .
N1_93 In13 In14 95.3(2) . .
N1_94 In13 In16 157.7(2) . .
N2_93 In13 In16 103.2(2) . .
N2_94 In13 In16 101.2(2) . .
N1_93 In13 In16 110.3(2) . .
In14 In13 In16 56.02(3) . .
N2_95 In14 N1_95 72.1(4) . .
N2_95 In14 In16 149.1(3) . .
N1_95 In14 In16 138.8(2) . .
N2_95 In14 In15 124.8(3) . .
N1_95 In14 In15 98.5(2) . .
In16 In14 In15 62.76(4) . .
N2_95 In14 In13 102.5(3) . .
N1_95 In14 In13 122.4(2) . .
In16 In14 In13 62.88(4) . .
In15 In14 In13 125.63(4) . .
N2_97 In15 N1_98 97.7(4) . .
N2_97 In15 N1_97 69.7(4) . .
N1_98 In15 N1_97 84.1(4) . .
N2_97 In15 N2_98 85.6(4) . .
N1_98 In15 N2_98 70.0(4) . .
N1_97 In15 N2_98 141.4(4) . .
N2_97 In15 In14 158.3(3) . .
N1_98 In15 In14 101.7(3) . .
N1_97 In15 In14 102.4(3) . .
N2_98 In15 In14 110.3(2) . .
N2_97 In15 In16 108.0(3) . .
N1_98 In15 In16 151.4(2) . .
N1_97 In15 In16 116.2(3) . .
N2_98 In15 In16 99.1(2) . .
In14 In15 In16 56.21(3) . .
N2_96 In16 N1_96 72.5(3) . .
N2_96 In16 In14 147.2(3) . .
N1_96 In16 In14 140.2(2) . .
N2_96 In16 In15 107.4(3) . .
N1_96 In16 In15 124.0(3) . .
In14 In16 In15 61.03(4) . .
N2_96 In16 In13 121.3(3) . .
N1_96 In16 In13 100.3(3) . .
In14 In16 In13 61.10(4) . .
In15 In16 In13 122.13(4) . .
C5_93 N1_93 C1_93 120.4(11) . .
C5_93 N1_93 In13 116.3(8) . .
C1_93 N1_93 In13 121.2(8) . .
C6_93 N2_93 C10_93 119.6(11) . .
C6_93 N2_93 In13 118.7(8) . .
C10_93 N2_93 In13 121.5(8) . .
N1_93 C1_93 C2_93 121.9(13) . .
N1_93 C1_93 H1_93 119.0 . .
C2_93 C1_93 H1_93 119.0 . .
C1_93 C2_93 C3_93 120.8(14) . .
C1_93 C2_93 H2_93 119.6 . .
C3_93 C2_93 H2_93 119.6 . .
C2_93 C3_93 C4_93 118.0(14) . .
C2_93 C3_93 H3_93 121.0 . .
C4_93 C3_93 H3_93 121.0 . .
C3_93 C4_93 C5_93 119.1(13) . .
C3_93 C4_93 H4_93 120.5 . .
C5_93 C4_93 H4_93 120.5 . .
N1_93 C5_93 C4_93 119.5(12) . .
N1_93 C5_93 C6_93 117.7(11) . .
C4_93 C5_93 C6_93 122.7(11) . .
N2_93 C6_93 C7_93 121.3(12) . .
N2_93 C6_93 C5_93 117.0(11) . .
C7_93 C6_93 C5_93 121.7(11) . .
C6_93 C7_93 C8_93 118.1(12) . .
C6_93 C7_93 H7_93 120.9 . .
C8_93 C7_93 H7_93 120.9 . .
C9_93 C8_93 C7_93 119.1(12) . .
C9_93 C8_93 H8_93 120.5 . .
C7_93 C8_93 H8_93 120.5 . .
C8_93 C9_93 C10_93 119.2(12) . .
C8_93 C9_93 H9_93 120.4 . .
C10_93 C9_93 H9_93 120.4 . .
N2_93 C10_93 C9_93 122.6(12) . .
N2_93 C10_93 H10_93 118.7 . .
C9_93 C10_93 H10_93 118.7 . .
C5_94 N1_94 C1_94 118.2(11) . .
C5_94 N1_94 In13 120.2(8) . .
C1_94 N1_94 In13 121.4(9) . .
C6_94 N2_94 C10_94 117.0(11) . .
C6_94 N2_94 In13 120.5(8) . .
C10_94 N2_94 In13 121.6(9) . .
N1_94 C1_94 C2_94 123.8(13) . .
N1_94 C1_94 H1_94 118.1 . .
C2_94 C1_94 H1_94 118.1 . .
C3_94 C2_94 C1_94 115.9(14) . .
C3_94 C2_94 H2_94 122.1 . .
C1_94 C2_94 H2_94 122.1 . .
C4_94 C3_94 C2_94 120.6(14) . .
C4_94 C3_94 H3_94 119.7 . .
C2_94 C3_94 H3_94 119.7 . .
C5_94 C4_94 C3_94 119.0(14) . .
C5_94 C4_94 H4_94 120.5 . .
C3_94 C4_94 H4_94 120.5 . .
N1_94 C5_94 C4_94 122.3(12) . .
N1_94 C5_94 C6_94 116.6(11) . .
C4_94 C5_94 C6_94 120.9(12) . .
N2_94 C6_94 C7_94 123.3(12) . .
N2_94 C6_94 C5_94 113.8(11) . .
C7_94 C6_94 C5_94 122.9(12) . .
C6_94 C7_94 C8_94 120.7(15) . .
C6_94 C7_94 H7_94 119.6 . .
C8_94 C7_94 H7_94 119.6 . .
C9_94 C8_94 C7_94 117.2(15) . .
C9_94 C8_94 H8_94 121.4 . .
C7_94 C8_94 H8_94 121.4 . .
C8_94 C9_94 C10_94 118.7(14) . .
C8_94 C9_94 H9_94 120.6 . .
C10_94 C9_94 H9_94 120.6 . .
N2_94 C10_94 C9_94 122.9(14) . .
N2_94 C10_94 H10_94 118.6 . .
C9_94 C10_94 H10_94 118.6 . .
C1_95 N1_95 C5_95 118.8(11) . .
C1_95 N1_95 In14 125.4(8) . .
C5_95 N1_95 In14 113.1(8) . .
C10_95 N2_95 C6_95 119.2(11) . .
C10_95 N2_95 In14 121.6(9) . .
C6_95 N2_95 In14 115.7(8) . .
N1_95 C1_95 C2_95 122.7(12) . .
N1_95 C1_95 H1_95 118.6 . .
C2_95 C1_95 H1_95 118.6 . .
C3_95 C2_95 C1_95 121.0(14) . .
C3_95 C2_95 H2_95 119.5 . .
C1_95 C2_95 H2_95 119.5 . .
C2_95 C3_95 C4_95 117.0(13) . .
C2_95 C3_95 H3_95 121.5 . .
C4_95 C3_95 H3_95 121.5 . .
C5_95 C4_95 C3_95 118.5(12) . .
C5_95 C4_95 H4_95 120.7 . .
C3_95 C4_95 H4_95 120.7 . .
N1_95 C5_95 C4_95 121.9(12) . .
N1_95 C5_95 C6_95 116.7(11) . .
C4_95 C5_95 C6_95 121.4(12) . .
N2_95 C6_95 C7_95 118.3(12) . .
N2_95 C6_95 C5_95 117.7(12) . .
C7_95 C6_95 C5_95 124.0(12) . .
C8_95 C7_95 C6_95 120.7(13) . .
C8_95 C7_95 H7_95 119.6 . .
C6_95 C7_95 H7_95 119.6 . .
C7_95 C8_95 C9_95 120.8(14) . .
C7_95 C8_95 H8_95 119.6 . .
C9_95 C8_95 H8_95 119.6 . .
C10_95 C9_95 C8_95 116.2(14) . .
C10_95 C9_95 H9_95 121.9 . .
C8_95 C9_95 H9_95 121.9 . .
N2_95 C10_95 C9_95 124.7(13) . .
N2_95 C10_95 H10_95 117.7 . .
C9_95 C10_95 H10_95 117.7 . .
C1_96 N1_96 C5_96 118.9(11) . .
C1_96 N1_96 In16 123.1(8) . .
C5_96 N1_96 In16 115.1(8) . .
C10_96 N2_96 C6_96 116.4(11) . .
C10_96 N2_96 In16 126.1(9) . .
C6_96 N2_96 In16 116.3(8) . .
N1_96 C1_96 C2_96 120.6(13) . .
N1_96 C1_96 H1_96 119.7 . .
C2_96 C1_96 H1_96 119.7 . .
C3_96 C2_96 C1_96 120.4(13) . .
C3_96 C2_96 H2_96 119.8 . .
C1_96 C2_96 H2_96 119.8 . .
C2_96 C3_96 C4_96 118.4(13) . .
C2_96 C3_96 H3_96 120.8 . .
C4_96 C3_96 H3_96 120.8 . .
C3_96 C4_96 C5_96 119.5(13) . .
C3_96 C4_96 H4_96 120.3 . .
C5_96 C4_96 H4_96 120.3 . .
N1_96 C5_96 C4_96 122.3(12) . .
N1_96 C5_96 C6_96 116.2(11) . .
C4_96 C5_96 C6_96 121.5(11) . .
N2_96 C6_96 C7_96 121.7(11) . .
N2_96 C6_96 C5_96 116.8(11) . .
C7_96 C6_96 C5_96 121.5(11) . .
C8_96 C7_96 C6_96 120.3(13) . .
C8_96 C7_96 H7_96 119.8 . .
C6_96 C7_96 H7_96 119.8 . .
C7_96 C8_96 C9_96 118.2(14) . .
C7_96 C8_96 H8_96 120.9 . .
C9_96 C8_96 H8_96 120.9 . .
C8_96 C9_96 C10_96 118.2(14) . .
C8_96 C9_96 H9_96 120.9 . .
C10_96 C9_96 H9_96 120.9 . .
N2_96 C10_96 C9_96 125.1(14) . .
N2_96 C10_96 H10_96 117.4 . .
C9_96 C10_96 H10_96 117.4 . .
C5_97 N1_97 C1_97 116.8(11) . .
C5_97 N1_97 In15 118.2(8) . .
C1_97 N1_97 In15 123.4(9) . .
C10_97 N2_97 C6_97 120.2(11) . .
C10_97 N2_97 In15 120.9(9) . .
C6_97 N2_97 In15 118.5(8) . .
C2_97 C1_97 N1_97 119.6(14) . .
C2_97 C1_97 H1_97 120.2 . .
N1_97 C1_97 H1_97 120.2 . .
C3_97 C2_97 C1_97 121.7(15) . .
C3_97 C2_97 H2_97 119.2 . .
C1_97 C2_97 H2_97 119.2 . .
C2_97 C3_97 C4_97 119.3(14) . .
C2_97 C3_97 H3_97 120.3 . .
C4_97 C3_97 H3_97 120.3 . .
C3_97 C4_97 C5_97 117.6(14) . .
C3_97 C4_97 H4_97 121.2 . .
C5_97 C4_97 H4_97 121.2 . .
N1_97 C5_97 C4_97 124.6(12) . .
N1_97 C5_97 C6_97 112.5(10) . .
C4_97 C5_97 C6_97 122.8(11) . .
N2_97 C6_97 C7_97 119.4(12) . .
N2_97 C6_97 C5_97 117.6(11) . .
C7_97 C6_97 C5_97 122.9(11) . .
C8_97 C7_97 C6_97 121.0(14) . .
C8_97 C7_97 H7_97 119.5 . .
C6_97 C7_97 H7_97 119.5 . .
C7_97 C8_97 C9_97 117.4(15) . .
C7_97 C8_97 H8_97 121.3 . .
C9_97 C8_97 H8_97 121.3 . .
C8_97 C9_97 C10_97 120.7(14) . .
C8_97 C9_97 H9_97 119.7 . .
C10_97 C9_97 H9_97 119.7 . .
N2_97 C10_97 C9_97 120.8(13) . .
N2_97 C10_97 H10_97 119.6 . .
C9_97 C10_97 H10_97 119.6 . .
C5_98 N1_98 C1_98 115.7(12) . .
C5_98 N1_98 In15 119.5(8) . .
C1_98 N1_98 In15 124.7(10) . .
C10_98 N2_98 C6_98 122.4(11) . .
C10_98 N2_98 In15 121.2(9) . .
C6_98 N2_98 In15 116.4(8) . .
N1_98 C1_98 C2_98 125.4(15) . .
N1_98 C1_98 H1_98 117.3 . .
C2_98 C1_98 H1_98 117.3 . .
C3_98 C2_98 C1_98 117.2(16) . .
C3_98 C2_98 H2_98 121.4 . .
C1_98 C2_98 H2_98 121.4 . .
C2_98 C3_98 C4_98 120.5(16) . .
C2_98 C3_98 H3_98 119.7 . .
C4_98 C3_98 H3_98 119.7 . .
C3_98 C4_98 C5_98 117.8(15) . .
C3_98 C4_98 H4_98 121.1 . .
C5_98 C4_98 H4_98 121.1 . .
N1_98 C5_98 C4_98 123.1(13) . .
N1_98 C5_98 C6_98 118.0(11) . .
C4_98 C5_98 C6_98 118.9(12) . .
N2_98 C6_98 C7_98 118.1(12) . .
N2_98 C6_98 C5_98 115.8(11) . .
C7_98 C6_98 C5_98 126.0(12) . .
C6_98 C7_98 C8_98 121.9(14) . .
C6_98 C7_98 H7_98 119.1 . .
C8_98 C7_98 H7_98 119.1 . .
C9_98 C8_98 C7_98 116.4(15) . .
C9_98 C8_98 H8_98 121.8 . .
C7_98 C8_98 H8_98 121.8 . .
C8_98 C9_98 C10_98 121.6(15) . .
C8_98 C9_98 H9_98 119.2 . .
C10_98 C9_98 H9_98 119.2 . .
N2_98 C10_98 C9_98 119.5(14) . .
N2_98 C10_98 H10_98 120.2 . .
C9_98 C10_98 H10_98 120.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Al1 O1_2 1.698(12) .
Al1 O1_1 1.688(9) .
Al1 O1_4 1.706(9) .
Al1 O1_3 1.713(8) .
Al1 O1A 1.721(14) .
O1_1 C1_1 1.348(13) .
C1_1 C2_1 1.541(11) .
C1_1 C3_1 1.545(11) .
C1_1 C4_1 1.547(11) .
C2_1 F2_1 1.328(11) .
C2_1 F3_1 1.341(11) .
C2_1 F1_1 1.347(11) .
C3_1 F6_1 1.328(11) .
C3_1 F5_1 1.335(11) .
C3_1 F4_1 1.343(11) .
C4_1 F8_1 1.325(11) .
C4_1 F7_1 1.329(11) .
C4_1 F9_1 1.340(11) .
O1A C1_2 1.410(16) .
O1_2 C1_2 1.371(15) .
C1_2 C4_2 1.512(14) .
C1_2 C3_2 1.527(15) .
C1_2 C2_2 1.532(15) .
C2_2 F2_2 1.326(12) .
C2_2 F1_2 1.328(12) .
C2_2 F3_2 1.326(12) .
C3_2 F4_2 1.308(12) .
C3_2 F5_2 1.315(12) .
C3_2 F6_2 1.353(12) .
C4_2 F7_2 1.305(12) .
C4_2 F8_2 1.324(12) .
C4_2 F9_2 1.338(12) .
O1_3 C1_3 1.321(12) .
C1_3 C4_3 1.542(11) .
C1_3 C2_3 1.550(11) .
C1_3 C3_3 1.550(11) .
C2_3 F3_3 1.319(11) .
C2_3 F1_3 1.346(11) .
C2_3 F2_3 1.346(11) .
C3_3 F5_3 1.324(11) .
C3_3 F4_3 1.345(11) .
C3_3 F6_3 1.350(11) .
C4_3 F9_3 1.336(10) .
C4_3 F7_3 1.341(10) .
C4_3 F8_3 1.341(10) .
O1_4 C1_4 1.338(12) .
C1_4 C3_4 1.532(11) .
C1_4 C2_4 1.545(11) .
C1_4 C4_4 1.563(11) .
C2_4 F1_4 1.333(11) .
C2_4 F3_4 1.334(11) .
C2_4 F2_4 1.351(11) .
C3_4 F4_4 1.327(10) .
C3_4 F6_4 1.328(10) .
C3_4 F5_4 1.359(11) .
C4_4 F9_4 1.323(10) .
C4_4 F8_4 1.341(10) .
C4_4 F7_4 1.350(10) .
Al2 O1_9 1.656(13) .
Al2 O1_49 1.679(10) .
Al2 O1_23 1.708(16) .
Al2 O1_8 1.721(14) .
Al2 O1_5 1.733(13) .
Al2 O1_22 1.740(16) .
Al2 O1_7 1.794(13) .
O1_5 C1_5 1.348(17) .
C1_5 C4_5 1.541(12) .
C1_5 C3_5 1.550(12) .
C1_5 C2_5 1.557(13) .
C2_5 F2_5 1.331(12) .
C2_5 F3_5 1.353(13) .
C2_5 F1_5 1.358(12) .
C3_5 F4_5 1.333(12) .
C3_5 F6_5 1.351(12) .
C3_5 F5_5 1.361(13) .
C4_5 F7_5 1.322(13) .
C4_5 F9_5 1.349(13) .
C4_5 F8_5 1.350(12) .
O1_23 C1_23 1.34(2) .
C1_23 C4_23 1.541(13) .
C1_23 C3_23 1.542(13) .
C1_23 C2_23 1.548(13) .
C2_23 F1_23 1.335(13) .
C2_23 F2_23 1.340(13) .
C2_23 F3_23 1.352(13) .
C3_23 F6_23 1.331(13) .
C3_23 F4_23 1.332(13) .
C3_23 F5_23 1.339(13) .
C4_23 F7_23 1.338(13) .
C4_23 F9_23 1.354(13) .
C4_23 F8_23 1.358(14) .
O1_49 C1_49 1.306(13) .
C1_49 C2_49 1.531(12) .
C1_49 C3_49 1.538(11) .
C1_49 C4_49 1.544(11) .
C2_49 F1_49 1.313(13) .
C2_49 F3_49 1.328(12) .
C2_49 F2_49 1.343(13) .
C3_49 F6_49 1.320(11) .
C3_49 F4_49 1.326(12) .
C3_49 F5_49 1.328(11) .
C4_49 F7_49 1.311(11) .
C4_49 F8_49 1.320(11) .
C4_49 F9_49 1.327(11) .
O1_7 C1_7 1.311(18) .
C1_7 C4_7 1.545(13) .
C1_7 C2_7 1.555(13) .
C1_7 C3_7 1.558(13) .
C2_7 F2_7 1.319(13) .
C2_7 F1_7 1.332(13) .
C2_7 F3_7 1.361(13) .
C3_7 F5_7 1.311(13) .
C3_7 F6_7 1.355(13) .
C3_7 F4_7 1.365(13) .
C4_7 F9_7 1.342(13) .
C4_7 F8_7 1.362(13) .
C4_7 F7_7 1.365(13) .
O1_8 C1_8 1.346(18) .
C1_8 C2_8 1.540(12) .
C1_8 C4_8 1.542(13) .
C1_8 C3_8 1.547(13) .
C2_8 F3_8 1.344(13) .
C2_8 F1_8 1.344(13) .
C2_8 F2_8 1.349(13) .
C3_8 F6_8 1.343(13) .
C3_8 F4_8 1.343(13) .
C3_8 F5_8 1.343(12) .
C4_8 F8_8 1.329(13) .
C4_8 F7_8 1.345(13) .
C4_8 F9_8 1.354(13) .
O1_22 C1_22 1.34(2) .
C1_22 C2_22 1.541(13) .
C1_22 C4_22 1.547(13) .
C1_22 C3_22 1.555(13) .
C2_22 F3_22 1.337(13) .
C2_22 F1_22 1.345(13) .
C2_22 F2_22 1.355(13) .
C3_22 F4_22 1.338(13) .
C3_22 F6_22 1.342(13) .
C3_22 F5_22 1.354(13) .
C4_22 F8_22 1.341(13) .
C4_22 F7_22 1.342(13) .
C4_22 F9_22 1.350(13) .
O1_9 C1_9 1.372(18) .
C1_9 C4_9 1.524(13) .
C1_9 C2_9 1.536(13) .
C1_9 C3_9 1.549(13) .
C2_9 F3_9 1.319(13) .
C2_9 F1_9 1.340(13) .
C2_9 F2_9 1.349(13) .
C3_9 F6_9 1.301(13) .
C3_9 F5_9 1.345(13) .
C3_9 F4_9 1.360(13) .
C4_9 F8_9 1.311(13) .
C4_9 F7_9 1.350(13) .
C4_9 F9_9 1.376(13) .
Al3 O1_11 1.693(13) .
Al3 O1_25 1.700(13) .
Al3 O1_13 1.728(9) .
Al3 O1_12 1.738(13) .
Al3 O1_10 1.747(13) .
Al3 O1_42 1.769(14) .
Al3 O1_24 1.798(14) .
O1_10 C1_10 1.356(18) .
C1_10 C2_10 1.549(12) .
C1_10 C3_10 1.563(12) .
C1_10 C4_10 1.564(13) .
C2_10 F3_10 1.352(13) .
C2_10 F2_10 1.358(13) .
C2_10 F1_10 1.390(13) .
C3_10 F5_10 1.326(13) .
C3_10 F6_10 1.358(13) .
C3_10 F4_10 1.387(13) .
C4_10 F9_10 1.331(13) .
C4_10 F8_10 1.342(12) .
C4_10 F7_10 1.344(13) .
O1_25 C1_25 1.323(18) .
C1_25 C2_25 1.541(13) .
C1_25 C4_25 1.543(13) .
C1_25 C3_25 1.559(13) .
C2_25 F2_25 1.346(13) .
C2_25 F3_25 1.363(13) .
C2_25 F1_25 1.370(13) .
C3_25 F5_25 1.303(13) .
C3_25 F4_25 1.339(13) .
C3_25 F6_25 1.348(13) .
F6_25 F8_25 1.779(16) .
C4_25 F9_25 1.295(12) .
C4_25 F8_25 1.346(13) .
C4_25 F7_25 1.351(13) .
O1_11 C1_11 1.368(18) .
C1_11 C3_11 1.523(12) .
C1_11 C2_11 1.528(12) .
C1_11 C4_11 1.541(13) .
C2_11 F2_11 1.333(12) .
C2_11 F1_11 1.339(12) .
C2_11 F3_11 1.347(12) .
C3_11 F4_11 1.333(12) .
C3_11 F6_11 1.340(12) .
C3_11 F5_11 1.341(12) .
C4_11 F8_11 1.339(13) .
C4_11 F7_11 1.342(13) .
C4_11 F9_11 1.343(13) .
O1_24 C1_24 1.307(18) .
C1_24 C4_24 1.553(13) .
C1_24 C3_24 1.557(12) .
C1_24 C2_24 1.560(13) .
C2_24 F1_24 1.340(13) .
C2_24 F3_24 1.353(13) .
C2_24 F2_24 1.356(13) .
C3_24 F5_24 1.334(13) .
C3_24 F4_24 1.350(13) .
C3_24 F6_24 1.354(13) .
C4_24 F7_24 1.337(13) .
C4_24 F8_24 1.350(13) .
C4_24 F9_24 1.352(13) .
O1_42 C1_42 1.331(19) .
C1_42 C3_42 1.542(13) .
C1_42 C4_42 1.557(13) .
C1_42 C2_42 1.560(13) .
C2_42 F3_42 1.327(13) .
C2_42 F2_42 1.336(13) .
C2_42 F1_42 1.353(13) .
C3_42 F6_42 1.339(13) .
C3_42 F5_42 1.345(13) .
C3_42 F4_42 1.348(13) .
C4_42 F7_42 1.335(13) .
C4_42 F9_42 1.343(13) .
C4_42 F8_42 1.353(13) .
O1_12 C1_12 1.376(17) .
C1_12 C2_12 1.527(12) .
C1_12 C3_12 1.543(12) .
C1_12 C4_12 1.549(13) .
C2_12 F2_12 1.327(12) .
C2_12 F1_12 1.343(12) .
C2_12 F3_12 1.349(12) .
C3_12 F4_12 1.336(12) .
C3_12 F6_12 1.341(12) .
C3_12 F5_12 1.343(12) .
C4_12 F7_12 1.334(12) .
C4_12 F9_12 1.340(12) .
C4_12 F8_12 1.348(12) .
O1_13 C1_13 1.331(13) .
C1_13 C2_13 1.531(11) .
C1_13 C4_13 1.542(11) .
C1_13 C3_13 1.545(11) .
C2_13 F3_13 1.335(11) .
C2_13 F1_13 1.343(11) .
C2_13 F2_13 1.345(10) .
C3_13 F6_13 1.308(11) .
C3_13 F5_13 1.340(11) .
C3_13 F4_13 1.346(11) .
C4_13 F7_13 1.329(12) .
C4_13 F9_13 1.334(12) .
C4_13 F8_13 1.336(11) .
Al4 O1_15 1.702(10) .
Al4 O1_17 1.709(9) .
Al4 O1_14 1.723(18) .
Al4 O1_48 1.73(2) .
Al4 O1_16 1.745(9) .
O1_14 C1_14 1.38(2) .
C1_14 C4_14 1.540(13) .
C1_14 C2_14 1.541(13) .
C1_14 C3_14 1.548(13) .
C2_14 F3_14 1.343(13) .
C2_14 F1_14 1.349(13) .
C2_14 F2_14 1.351(12) .
C3_14 F4_14 1.333(13) .
C3_14 F5_14 1.340(13) .
C3_14 F6_14 1.351(12) .
C4_14 F7_14 1.338(13) .
C4_14 F9_14 1.345(13) .
C4_14 F8_14 1.347(12) .
O1_48 C1_48 1.36(3) .
C1_48 C3_48 1.543(13) .
C1_48 C4_48 1.544(13) .
C1_48 C2_48 1.547(14) .
C2_48 F3_48 1.325(13) .
C2_48 F2_48 1.342(13) .
C2_48 F1_48 1.348(13) .
C3_48 F4_48 1.341(13) .
C3_48 F5_48 1.341(13) .
C3_48 F6_48 1.346(13) .
C4_48 F7_48 1.342(13) .
C4_48 F9_48 1.347(13) .
C4_48 F8_48 1.353(13) .
O1_15 C1_15 1.332(15) .
C1_15 C3_15 1.522(11) .
C1_15 C4_15 1.524(12) .
C1_15 C2_15 1.572(12) .
C2_15 F1_15 1.324(11) .
C2_15 F2_15 1.352(11) .
C2_15 F3_15 1.365(12) .
C3_15 F5_15 1.325(11) .
C3_15 F6_15 1.348(11) .
C3_15 F4_15 1.396(12) .
C4_15 F9_15 1.323(11) .
C4_15 F8_15 1.349(11) .
C4_15 F7_15 1.358(12) .
O1_16 C1_16 1.358(14) .
C1_16 C3_16 1.530(11) .
C1_16 C2_16 1.548(11) .
C1_16 C4_16 1.550(11) .
C2_16 F3_16 1.324(10) .
C2_16 F1_16 1.325(11) .
C2_16 F2_16 1.360(10) .
C3_16 F5_16 1.334(10) .
C3_16 F6_16 1.339(10) .
C3_16 F4_16 1.347(10) .
C4_16 F8_16 1.326(11) .
C4_16 F7_16 1.348(11) .
C4_16 F9_16 1.354(11) .
O1_17 C1_17 1.378(14) .
C1_17 C2_17 1.518(11) .
C1_17 C4_17 1.528(11) .
C1_17 C3_17 1.562(12) .
C2_17 F2_17 1.356(11) .
C2_17 F1_17 1.365(11) .
C2_17 F3_17 1.366(11) .
C3_17 F5_17 1.324(11) .
C3_17 F6_17 1.336(11) .
C3_17 F4_17 1.348(11) .
C4_17 F7_17 1.328(11) .
C4_17 F8_17 1.337(10) .
C4_17 F9_17 1.427(11) .
Al5 O1_20 1.710(9) .
Al5 O1_18 1.720(9) .
Al5 O1_21 1.734(9) .
Al5 O1_19 1.741(9) .
O1_18 C1_18 1.373(14) .
C1_18 C3_18 1.537(11) .
C1_18 C2_18 1.542(11) .
C1_18 C4_18 1.543(11) .
C2_18 F3_18 1.329(11) .
C2_18 F2_18 1.350(11) .
C2_18 F1_18 1.358(11) .
C3_18 F4_18 1.332(11) .
C3_18 F6_18 1.349(10) .
C3_18 F5_18 1.358(11) .
C4_18 F9_18 1.326(11) .
C4_18 F8_18 1.342(10) .
C4_18 F7_18 1.360(11) .
O1_19 C1_19 1.363(13) .
C1_19 C3_19 1.538(11) .
C1_19 C4_19 1.545(11) .
C1_19 C2_19 1.556(10) .
C2_19 F2_19 1.341(10) .
C2_19 F3_19 1.344(10) .
C2_19 F1_19 1.349(10) .
C3_19 F4_19 1.340(10) .
C3_19 F5_19 1.348(10) .
C3_19 F6_19 1.359(10) .
C4_19 F9_19 1.329(10) .
C4_19 F7_19 1.335(10) .
C4_19 F8_19 1.352(10) .
O1_20 C1_20 1.395(14) .
C1_20 C3_20 1.538(11) .
C1_20 C2_20 1.541(11) .
C1_20 C4_20 1.548(11) .
C2_20 F1_20 1.336(10) .
C2_20 F3_20 1.340(10) .
C2_20 F2_20 1.348(10) .
C3_20 F5_20 1.328(10) .
C3_20 F6_20 1.338(10) .
C3_20 F4_20 1.345(10) .
C4_20 F9_20 1.334(10) .
C4_20 F7_20 1.339(10) .
C4_20 F8_20 1.343(10) .
O1_21 C1_21 1.375(14) .
C1_21 C3_21 1.522(11) .
C1_21 C2_21 1.533(11) .
C1_21 C4_21 1.536(11) .
C2_21 F3_21 1.330(11) .
C2_21 F2_21 1.359(10) .
C2_21 F1_21 1.366(11) .
C3_21 F4_21 1.326(11) .
C3_21 F6_21 1.332(10) .
C3_21 F5_21 1.348(11) .
C4_21 F9_21 1.303(11) .
C4_21 F8_21 1.351(10) .
C4_21 F7_21 1.374(11) .
Al6 O1_26 1.720(8) .
Al6 O1_27 1.723(8) .
Al6 O1_28 1.724(8) .
Al6 O1_29 1.731(8) .
O1_26 C1_26 1.370(12) .
C1_26 C4_26 1.538(11) .
C1_26 C3_26 1.543(11) .
C1_26 C2_26 1.550(11) .
C2_26 F3_26 1.331(11) .
C2_26 F2_26 1.338(11) .
C2_26 F1_26 1.343(11) .
C3_26 F5_26 1.334(10) .
C3_26 F4_26 1.338(10) .
C3_26 F6_26 1.343(10) .
C4_26 F8_26 1.332(10) .
C4_26 F9_26 1.340(10) .
C4_26 F7_26 1.343(10) .
O1_27 C1_27 1.358(11) .
C1_27 C3_27 1.539(11) .
C1_27 C4_27 1.547(11) .
C1_27 C2_27 1.557(11) .
C2_27 F2_27 1.337(10) .
C2_27 F1_27 1.340(10) .
C2_27 F3_27 1.342(10) .
C3_27 F5_27 1.332(10) .
C3_27 F4_27 1.340(10) .
C3_27 F6_27 1.356(10) .
C4_27 F8_27 1.338(10) .
C4_27 F9_27 1.340(10) .
C4_27 F7_27 1.355(10) .
O1_28 C1_28 1.361(12) .
C1_28 C3_28 1.539(11) .
C1_28 C2_28 1.553(11) .
C1_28 C4_28 1.553(11) .
C2_28 F2_28 1.336(10) .
C2_28 F3_28 1.343(10) .
C2_28 F1_28 1.345(10) .
C3_28 F4_28 1.343(11) .
C3_28 F6_28 1.354(11) .
C3_28 F5_28 1.354(10) .
C4_28 F7_28 1.340(10) .
C4_28 F9_28 1.344(10) .
C4_28 F8_28 1.355(10) .
O1_29 C1_29 1.355(12) .
C1_29 C2_29 1.539(11) .
C1_29 C3_29 1.546(11) .
C1_29 C4_29 1.561(11) .
C2_29 F1_29 1.352(11) .
C2_29 F2_29 1.359(11) .
C2_29 F3_29 1.359(11) .
C3_29 F4_29 1.334(10) .
C3_29 F6_29 1.351(10) .
C3_29 F5_29 1.350(11) .
C4_29 F8_29 1.329(11) .
C4_29 F7_29 1.337(10) .
C4_29 F9_29 1.352(11) .
Al7 O1_30 1.721(8) .
Al7 O1_33 1.728(8) .
Al7 O1_31 1.735(8) .
Al7 O1_32 1.749(8) .
O1_30 C1_30 1.378(12) .
C1_30 C4_30 1.529(11) .
C1_30 C2_30 1.531(11) .
C1_30 C3_30 1.553(11) .
C2_30 F1_30 1.333(11) .
C2_30 F3_30 1.350(10) .
C2_30 F2_30 1.355(11) .
C3_30 F4_30 1.329(10) .
C3_30 F5_30 1.345(10) .
C3_30 F6_30 1.351(11) .
C4_30 F8_30 1.337(11) .
C4_30 F7_30 1.336(10) .
C4_30 F9_30 1.347(10) .
O1_31 C1_31 1.349(12) .
C1_31 C3_31 1.535(11) .
C1_31 C4_31 1.556(11) .
C1_31 C2_31 1.559(11) .
C2_31 F2_31 1.345(11) .
C2_31 F3_31 1.347(11) .
C2_31 F1_31 1.348(11) .
C3_31 F5_31 1.337(11) .
C3_31 F4_31 1.346(11) .
C3_31 F6_31 1.348(11) .
C4_31 F7_31 1.340(10) .
C4_31 F8_31 1.349(10) .
C4_31 F9_31 1.367(10) .
O1_32 C1_32 1.361(11) .
C1_32 C4_32 1.535(10) .
C1_32 C2_32 1.540(10) .
C1_32 C3_32 1.547(10) .
C2_32 F1B_32 1.221(12) .
C2_32 F3_32 1.324(10) .
C2_32 F3B_32 1.349(12) .
C2_32 F2_32 1.362(10) .
C2_32 F2B_32 1.367(12) .
C2_32 F1_32 1.385(10) .
C3_32 F4B_32 1.228(13) .
C3_32 F6_32 1.296(10) .
C3_32 F6B_32 1.310(14) .
C3_32 F5_32 1.341(10) .
C3_32 F4_32 1.452(10) .
C3_32 F5B_32 1.542(14) .
C4_32 F9B_32 1.204(14) .
C4_32 F7_32 1.329(10) .
C4_32 F8B_32 1.338(14) .
C4_32 F8_32 1.356(9) .
C4_32 F9_32 1.388(10) .
C4_32 F7B_32 1.402(13) .
O1_33 C1_33 1.364(12) .
C1_33 C2_33 1.525(11) .
C1_33 C4_33 1.539(11) .
C1_33 C3_33 1.549(11) .
C2_33 F1_33 1.330(10) .
C2_33 F3_33 1.336(10) .
C2_33 F2_33 1.357(10) .
C3_33 F4_33 1.338(10) .
C3_33 F6_33 1.345(10) .
C3_33 F5_33 1.344(10) .
C4_33 F7_33 1.341(10) .
C4_33 F8_33 1.345(10) .
C4_33 F9_33 1.347(11) .
Al8 O1_35 1.700(8) .
Al8 O1_36 1.725(8) .
Al8 O1_34 1.728(8) .
Al8 O1_37 1.738(8) .
O1_34 C1_34 1.350(12) .
C1_34 C2_34 1.547(11) .
C1_34 C4_34 1.549(11) .
C1_34 C3_34 1.572(11) .
C2_34 F1_34 1.325(10) .
C2_34 F2_34 1.338(10) .
C2_34 F3_34 1.372(11) .
C3_34 F4_34 1.319(10) .
C3_34 F6_34 1.332(10) .
C3_34 F5_34 1.346(10) .
C4_34 F7_34 1.347(11) .
C4_34 F9_34 1.362(11) .
C4_34 F8_34 1.363(11) .
O1_35 C1_35 1.386(11) .
C1_35 C4_35 1.543(11) .
C1_35 C2_35 1.543(11) .
C1_35 C3_35 1.545(11) .
C2_35 F2_35 1.328(10) .
C2_35 F1_35 1.334(10) .
C2_35 F3_35 1.350(10) .
C3_35 F6_35 1.323(10) .
C3_35 F5_35 1.348(10) .
C3_35 F4_35 1.360(10) .
C4_35 F7_35 1.321(10) .
C4_35 F9_35 1.337(10) .
C4_35 F8_35 1.356(10) .
O1_36 C1_36 1.355(12) .
C1_36 C3_36 1.536(11) .
C1_36 C2_36 1.542(11) .
C1_36 C4_36 1.557(11) .
C2_36 F2_36 1.323(10) .
C2_36 F3_36 1.337(10) .
C2_36 F1_36 1.342(10) .
C3_36 F6_36 1.332(10) .
C3_36 F5_36 1.346(10) .
C3_36 F4_36 1.348(10) .
C4_36 F8_36 1.333(10) .
C4_36 F9_36 1.334(11) .
C4_36 F7_36 1.339(10) .
O1_37 C1_37 1.363(11) .
C1_37 C3_37 1.534(11) .
C1_37 C2_37 1.537(11) .
C1_37 C4_37 1.543(10) .
C2_37 F2_37 1.334(11) .
C2_37 F1_37 1.344(10) .
C2_37 F3_37 1.351(10) .
C3_37 F5_37 1.316(10) .
C3_37 F6_37 1.331(10) .
C3_37 F4_37 1.349(10) .
C4_37 F8_37 1.326(10) .
C4_37 F7_37 1.334(11) .
C4_37 F9_37 1.341(10) .
Al9 O1_40 1.706(9) .
Al9 O1_38 1.709(8) .
Al9 O1_50 1.712(16) .
Al9 O1_41 1.733(9) .
Al9 O1_39 1.734(11) .
O1_38 C1_38 1.348(12) .
C1_38 C4_38 1.540(11) .
C1_38 C2_38 1.541(11) .
C1_38 C3_38 1.556(11) .
C2_38 F1_38 1.340(11) .
C2_38 F3_38 1.351(11) .
C2_38 F2_38 1.360(11) .
C3_38 F4_38 1.317(11) .
C3_38 F5_38 1.348(11) .
C3_38 F6_38 1.352(11) .
C4_38 F9_38 1.335(11) .
C4_38 F7_38 1.335(11) .
C4_38 F8_38 1.335(11) .
O1_39 C1_39 1.361(15) .
C1_39 C3_39 1.538(12) .
C1_39 C2_39 1.559(12) .
C1_39 C4_39 1.564(12) .
C2_39 F3_39 1.338(12) .
C2_39 F1_39 1.340(12) .
C2_39 F2_39 1.351(12) .
C3_39 F6_39 1.338(12) .
C3_39 F4_39 1.345(12) .
C3_39 F5_39 1.366(12) .
C4_39 F7_39 1.337(12) .
C4_39 F8_39 1.343(12) .
C4_39 F9_39 1.352(12) .
O1_50 C1_50 1.38(2) .
C1_50 C2_50 1.537(13) .
C1_50 C3_50 1.538(13) .
C1_50 C4_50 1.538(13) .
C2_50 F3_50 1.335(13) .
C2_50 F2_50 1.341(13) .
C2_50 F1_50 1.341(14) .
C3_50 F4_50 1.333(14) .
C3_50 F6_50 1.333(13) .
C3_50 F5_50 1.349(14) .
C4_50 F8_50 1.344(13) .
C4_50 F7_50 1.346(13) .
C4_50 F9_50 1.352(13) .
O1_40 C1_40 1.330(12) .
C1_40 C4_40 1.541(11) .
C1_40 C3_40 1.541(12) .
C1_40 C2_40 1.543(12) .
C2_40 F3_40 1.308(12) .
C2_40 F2_40 1.332(11) .
C2_40 F1_40 1.368(12) .
C3_40 F5_40 1.304(12) .
C3_40 F4_40 1.340(12) .
C3_40 F6_40 1.390(12) .
C4_40 F7_40 1.341(11) .
C4_40 F9_40 1.344(11) .
C4_40 F8_40 1.358(12) .
O1_41 C1_41 1.327(12) .
C1_41 C2_41 1.527(11) .
C1_41 C4_41 1.540(12) .
C1_41 C3_41 1.562(11) .
C2_41 F2_41 1.327(11) .
C2_41 F3_41 1.338(12) .
C2_41 F1_41 1.393(12) .
C3_41 F6_41 1.328(11) .
C3_41 F4_41 1.339(11) .
C3_41 F5_41 1.402(11) .
C4_41 F8_41 1.347(12) .
C4_41 F9_41 1.364(12) .
C4_41 F7_41 1.366(12) .
Al10 O1_47 1.706(9) .
Al10 O1_46 1.717(8) .
Al10 O1_44 1.736(8) .
Al10 O1_45 1.737(9) .
O1_44 C1_44 1.352(12) .
C1_44 C4_44 1.512(11) .
C1_44 C2_44 1.537(11) .
C1_44 C3_44 1.554(11) .
C2_44 F3_44 1.308(11) .
C2_44 F2_44 1.338(11) .
C2_44 F1_44 1.357(11) .
C3_44 F6_44 1.303(11) .
C3_44 F5_44 1.345(11) .
C3_44 F4_44 1.370(11) .
C4_44 F9_44 1.313(11) .
C4_44 F7_44 1.329(11) .
C4_44 F8_44 1.374(12) .
O1_45 C1_45 1.345(12) .
C1_45 C2_45 1.538(11) .
C1_45 C4_45 1.541(11) .
C1_45 C3_45 1.556(11) .
C2_45 F2_45 1.326(11) .
C2_45 F3_45 1.333(11) .
C2_45 F1_45 1.356(11) .
C3_45 F5_45 1.337(11) .
C3_45 F6_45 1.351(11) .
C3_45 F4_45 1.351(11) .
C4_45 F8_45 1.344(11) .
C4_45 F9_45 1.349(10) .
C4_45 F7_45 1.358(11) .
O1_46 C1_46 1.380(12) .
C1_46 C4_46 1.528(11) .
C1_46 C3_46 1.541(11) .
C1_46 C2_46 1.556(11) .
C2_46 F2_46 1.339(11) .
C2_46 F3_46 1.355(11) .
C2_46 F1_46 1.389(11) .
C3_46 F6_46 1.335(11) .
C3_46 F5_46 1.357(11) .
C3_46 F4_46 1.369(11) .
C4_46 F9_46 1.350(11) .
C4_46 F7_46 1.361(11) .
C4_46 F8_46 1.369(11) .
O1_47 C1_47 1.370(13) .
C1_47 C2_47 1.531(11) .
C1_47 C4_47 1.536(11) .
C1_47 C3_47 1.551(11) .
C2_47 F1_47 1.347(11) .
C2_47 F3_47 1.349(11) .
C2_47 F2_47 1.348(11) .
C3_47 F5_47 1.317(11) .
C3_47 F6_47 1.328(11) .
C3_47 F4_47 1.338(11) .
C4_47 F8_47 1.344(12) .
C4_47 F9_47 1.344(11) .
C4_47 F7_47 1.348(11) .
Al11 O1_53 1.720(9) .
Al11 O1_54 1.726(9) .
Al11 O1_51 1.727(9) .
Al11 O1_52 1.729(8) .
O1_51 C1_51 1.364(12) .
C1_51 C4_51 1.545(11) .
C1_51 C2_51 1.545(11) .
C1_51 C3_51 1.548(11) .
C2_51 F3_51 1.315(10) .
C2_51 F2_51 1.344(11) .
C2_51 F1_51 1.357(10) .
C3_51 F6_51 1.327(11) .
C3_51 F4_51 1.331(11) .
C3_51 F5_51 1.350(11) .
C4_51 F8_51 1.336(11) .
C4_51 F7_51 1.340(11) .
C4_51 F9_51 1.357(11) .
O1_52 C1_52 1.351(13) .
C1_52 C3_52 1.537(11) .
C1_52 C2_52 1.547(12) .
C1_52 C4_52 1.551(11) .
C2_52 F2_52 1.353(11) .
C2_52 F1_52 1.358(11) .
C2_52 F3_52 1.360(11) .
C3_52 F5_52 1.340(11) .
C3_52 F4_52 1.354(11) .
C3_52 F6_52 1.364(12) .
C4_52 F9_52 1.336(11) .
C4_52 F7_52 1.341(11) .
C4_52 F8_52 1.367(11) .
O1_53 C1_53 1.362(12) .
C1_53 C3_53 1.542(11) .
C1_53 C2_53 1.548(11) .
C1_53 C4_53 1.556(11) .
C2_53 F3_53 1.317(11) .
C2_53 F2_53 1.354(11) .
C2_53 F1_53 1.360(11) .
C3_53 F6_53 1.335(11) .
C3_53 F5_53 1.339(11) .
C3_53 F4_53 1.354(11) .
C4_53 F9_53 1.329(11) .
C4_53 F8_53 1.346(11) .
C4_53 F7_53 1.353(10) .
O1_54 C1_54 1.361(12) .
C1_54 C3_54 1.540(11) .
C1_54 C4_54 1.545(11) .
C1_54 C2_54 1.548(11) .
C2_54 F3_54 1.332(11) .
C2_54 F2_54 1.338(11) .
C2_54 F1_54 1.357(10) .
C3_54 F6_54 1.341(11) .
C3_54 F5_54 1.342(11) .
C3_54 F4_54 1.355(11) .
C4_54 F9_54 1.317(11) .
C4_54 F7_54 1.345(10) .
C4_54 F8_54 1.351(11) .
Al12 O1_57 1.716(8) .
Al12 O1_56 1.718(8) .
Al12 O1_55 1.724(9) .
Al12 O1_58 1.732(8) .
O1_55 C1_55 1.351(12) .
F1_55 C2_55 1.333(11) .
C2_55 F2_55 1.328(11) .
C2_55 F3_55 1.331(11) .
C2_55 C1_55 1.553(11) .
C3_55 F6_55 1.335(10) .
C3_55 F4_55 1.347(10) .
C3_55 F5_55 1.351(10) .
C3_55 C1_55 1.544(11) .
C4_55 F9_55 1.329(10) .
C4_55 F7_55 1.346(10) .
C4_55 F8_55 1.357(10) .
C4_55 C1_55 1.529(11) .
O1_56 C1_56 1.337(11) .
C1_56 C4_56 1.540(11) .
C1_56 C2_56 1.541(10) .
C1_56 C3_56 1.557(11) .
C2_56 F3_56 1.318(10) .
C2_56 F2_56 1.340(10) .
C2_56 F1_56 1.376(11) .
C3_56 F5_56 1.322(11) .
C3_56 F4_56 1.359(11) .
C3_56 F6_56 1.368(11) .
C4_56 F8_56 1.322(11) .
C4_56 F7_56 1.335(11) .
C4_56 F9_56 1.359(11) .
O1_57 C1_57 1.346(11) .
C1_57 C4_57 1.531(11) .
C1_57 C2_57 1.534(11) .
C1_57 C3_57 1.559(10) .
C2_57 F1_57 1.331(10) .
C2_57 F3_57 1.349(10) .
C2_57 F2_57 1.351(10) .
C3_57 F6_57 1.344(10) .
C3_57 F4_57 1.351(10) .
C3_57 F5_57 1.355(10) .
C4_57 F7_57 1.344(10) .
C4_57 F9_57 1.365(11) .
C4_57 F8_57 1.384(10) .
O1_58 C1_58 1.344(12) .
C1_58 C3_58 1.541(11) .
C1_58 C4_58 1.553(11) .
C1_58 C2_58 1.555(11) .
C2_58 F2_58 1.325(11) .
C2_58 F1_58 1.343(10) .
C2_58 F3_58 1.361(10) .
C3_58 F6_58 1.329(10) .
C3_58 F5_58 1.339(10) .
C3_58 F4_58 1.340(10) .
C4_58 F9_58 1.334(11) .
C4_58 F8_58 1.343(11) .
C4_58 F7_58 1.355(11) .
Al13 O1_62 1.712(8) .
Al13 O1_59 1.726(8) .
Al13 O1_60 1.732(8) .
Al13 O1_61 1.737(9) .
O1_59 C1_59 1.374(12) .
C1_59 C2_59 1.538(11) .
C1_59 C4_59 1.539(11) .
C1_59 C3_59 1.557(11) .
C2_59 F2_59 1.328(11) .
C2_59 F3_59 1.352(11) .
C2_59 F1_59 1.359(11) .
C3_59 F5_59 1.318(11) .
C3_59 F6_59 1.340(10) .
C3_59 F4_59 1.362(11) .
C4_59 F8_59 1.333(10) .
C4_59 F9_59 1.340(11) .
C4_59 F7_59 1.349(11) .
O1_60 C1_60 1.348(12) .
C1_60 C2_60 1.543(11) .
C1_60 C3_60 1.546(11) .
C1_60 C4_60 1.573(11) .
C2_60 F1_60 1.333(10) .
C2_60 F3_60 1.337(10) .
C2_60 F2_60 1.356(10) .
C3_60 F6_60 1.331(11) .
C3_60 F4_60 1.339(11) .
C3_60 F5_60 1.342(10) .
C4_60 F9_60 1.329(10) .
C4_60 F8_60 1.335(10) .
C4_60 F7_60 1.336(10) .
O1_61 C1_61 1.365(12) .
C1_61 C3_61 1.538(11) .
C1_61 C2_61 1.540(11) .
C1_61 C4_61 1.561(11) .
C2_61 F3_61 1.335(10) .
C2_61 F2_61 1.344(10) .
C2_61 F1_61 1.349(10) .
C3_61 F4_61 1.333(10) .
C3_61 F6_61 1.338(10) .
C3_61 F5_61 1.362(10) .
C4_61 F9_61 1.322(11) .
C4_61 F8_61 1.340(10) .
C4_61 F7_61 1.351(10) .
O1_62 C1_62 1.364(12) .
C1_62 C2_62 1.540(11) .
C1_62 C4_62 1.543(11) .
C1_62 C3_62 1.549(11) .
C2_62 F3_62 1.330(10) .
C2_62 F1_62 1.347(10) .
C2_62 F2_62 1.384(11) .
C3_62 F6_62 1.324(10) .
C3_62 F5_62 1.343(10) .
C3_62 F4_62 1.365(11) .
C4_62 F7_62 1.343(10) .
C4_62 F9_62 1.354(11) .
C4_62 F8_62 1.370(11) .
Al14 O1_64 1.701(8) .
Al14 O1_65 1.718(8) .
Al14 O1_66 1.729(8) .
Al14 O1_63 1.747(8) .
O1_63 C1_63 1.367(12) .
C1_63 C3_63 1.539(11) .
C1_63 C4_63 1.540(11) .
C1_63 C2_63 1.545(11) .
C2_63 F1_63 1.319(10) .
C2_63 F2_63 1.332(11) .
C2_63 F3_63 1.339(10) .
C3_63 F6_63 1.330(10) .
C3_63 F4_63 1.341(10) .
C3_63 F5_63 1.344(10) .
C4_63 F8_63 1.312(11) .
C4_63 F9_63 1.339(10) .
C4_63 F7_63 1.339(11) .
O1_64 C1_64 1.371(12) .
C1_64 C2_64 1.537(11) .
C1_64 C3_64 1.538(10) .
C1_64 C4_64 1.550(11) .
C2_64 F3_64 1.337(10) .
C2_64 F1_64 1.342(10) .
C2_64 F2_64 1.356(11) .
C3_64 F4_64 1.339(10) .
C3_64 F6_64 1.340(10) .
C3_64 F5_64 1.344(10) .
C4_64 F7_64 1.338(10) .
C4_64 F8_64 1.340(10) .
C4_64 F9_64 1.341(10) .
O1_65 C1_65 1.363(11) .
C1_65 C3_65 1.534(11) .
C1_65 C4_65 1.553(11) .
C1_65 C2_65 1.558(10) .
C2_65 F3_65 1.346(10) .
C2_65 F2_65 1.347(10) .
C2_65 F1_65 1.359(10) .
C3_65 F5_65 1.335(10) .
C3_65 F6_65 1.345(10) .
C3_65 F4_65 1.347(10) .
F7_65 C4_65 1.324(10) .
C4_65 F8_65 1.342(10) .
C4_65 F9_65 1.349(10) .
O1_66 C1_66 1.358(11) .
C1_66 C2_66 1.532(11) .
C1_66 C4_66 1.538(11) .
C1_66 C3_66 1.556(11) .
C2_66 F2_66 1.307(10) .
C2_66 F1_66 1.334(10) .
C2_66 F3_66 1.367(10) .
C3_66 F5_66 1.332(10) .
C3_66 F6_66 1.342(11) .
C3_66 F4_66 1.347(11) .
C4_66 F9_66 1.323(11) .
C4_66 F8_66 1.332(11) .
C4_66 F7_66 1.345(10) .
Al15 O1_68 1.716(8) .
Al15 O1_67 1.724(8) .
Al15 O1_70 1.725(8) .
Al15 O1_69 1.727(8) .
O1_67 C1_67 1.361(11) .
C1_67 C4_67 1.546(10) .
C1_67 C3_67 1.547(10) .
C1_67 C2_67 1.555(11) .
C2_67 F1_67 1.326(10) .
C2_67 F2_67 1.341(10) .
C2_67 F3_67 1.347(10) .
C3_67 F4_67 1.331(10) .
C3_67 F5_67 1.339(10) .
C3_67 F6_67 1.356(10) .
C4_67 F9_67 1.338(10) .
C4_67 F8_67 1.342(10) .
C4_67 F7_67 1.344(10) .
O1_68 C1_68 1.363(12) .
C1_68 C2_68 1.538(11) .
C1_68 C4_68 1.546(11) .
C1_68 C3_68 1.549(10) .
C2_68 F2_68 1.341(10) .
C2_68 F1_68 1.344(10) .
C2_68 F3_68 1.353(10) .
C3_68 F6_68 1.334(10) .
C3_68 F5_68 1.335(10) .
C3_68 F4_68 1.341(10) .
C4_68 F9_68 1.332(10) .
C4_68 F8_68 1.338(10) .
C4_68 F7_68 1.356(10) .
O1_69 C1_69 1.353(12) .
C1_69 C3_69 1.534(11) .
C1_69 C2_69 1.548(11) .
C1_69 C4_69 1.556(11) .
C2_69 F3_69 1.331(10) .
C2_69 F1_69 1.336(11) .
C2_69 F2_69 1.369(11) .
C3_69 F4_69 1.311(11) .
C3_69 F5_69 1.348(11) .
C3_69 F6_69 1.366(11) .
C4_69 F8_69 1.316(11) .
C4_69 F7_69 1.339(11) .
C4_69 F9_69 1.371(11) .
O1_70 C1_70 1.361(12) .
C1_70 C3_70 1.528(11) .
C1_70 C2_70 1.534(11) .
C1_70 C4_70 1.548(11) .
C2_70 F1_70 1.282(11) .
C2_70 F3_70 1.329(10) .
C2_70 F2_70 1.391(11) .
C3_70 F4_70 1.324(11) .
C3_70 F5_70 1.343(11) .
C3_70 F6_70 1.408(11) .
C4_70 F9_70 1.304(11) .
C4_70 F7_70 1.348(11) .
C4_70 F8_70 1.390(11) .
Al16 O1_73 1.693(9) .
Al16 O1_74 1.733(9) .
Al16 O1_72 1.736(9) .
Al16 O1_71 1.743(9) .
O1_71 C1_71 1.323(12) .
C1_71 C4_71 1.542(11) .
C1_71 C3_71 1.553(11) .
C1_71 C2_71 1.559(11) .
C2_71 F3_71 1.347(11) .
C2_71 F1_71 1.362(11) .
C2_71 F2_71 1.362(11) .
C3_71 F4_71 1.338(11) .
C3_71 F6_71 1.340(11) .
C3_71 F5_71 1.344(11) .
C4_71 F8_71 1.322(10) .
C4_71 F9_71 1.336(11) .
C4_71 F7_71 1.370(11) .
O1_72 C1_72 1.351(12) .
C1_72 C4_72 1.534(11) .
C1_72 C2_72 1.547(11) .
C1_72 C3_72 1.553(11) .
C2_72 F2_72 1.331(11) .
C2_72 F1_72 1.337(11) .
C2_72 F3_72 1.347(11) .
C3_72 F5_72 1.339(11) .
C3_72 F6_72 1.346(11) .
C3_72 F4_72 1.359(11) .
C4_72 F8_72 1.329(10) .
C4_72 F9_72 1.353(11) .
C4_72 F7_72 1.356(11) .
O1_73 C1_73 1.400(13) .
C1_73 C4_73 1.529(11) .
C1_73 C2_73 1.533(11) .
C1_73 C3_73 1.541(11) .
C2_73 F3_73 1.341(11) .
C2_73 F2_73 1.349(11) .
C2_73 F1_73 1.349(11) .
C3_73 F6_73 1.320(11) .
C3_73 F5_73 1.345(11) .
C3_73 F4_73 1.354(11) .
C4_73 F7_73 1.329(11) .
C4_73 F9_73 1.334(11) .
C4_73 F8_73 1.339(11) .
O1_74 C1_74 1.363(12) .
C1_74 C2_74 1.525(11) .
C1_74 C3_74 1.536(11) .
C1_74 C4_74 1.550(11) .
C2_74 F1_74 1.341(11) .
C2_74 F3_74 1.348(11) .
C2_74 F2_74 1.372(11) .
C3_74 F6_74 1.338(11) .
C3_74 F5_74 1.351(11) .
C3_74 F4_74 1.362(11) .
C4_74 F7_74 1.330(10) .
C4_74 F8_74 1.332(10) .
C4_74 F9_74 1.347(11) .
In1 N1_75 2.334(10) .
In1 N2_76 2.354(10) .
In1 N2_75 2.404(10) .
In1 N1_76 2.414(10) .
In1 In4 2.7773(13) .
In1 In2 2.7998(13) .
In2 N1_77 2.300(10) .
In2 N2_77 2.360(10) .
In2 In4 2.5973(12) .
In2 In3 2.7903(13) .
In3 N2_78 2.287(10) .
In3 N1_80 2.320(10) .
In3 N2_80 2.395(10) .
In3 N1_78 2.405(10) .
In3 In4 2.7493(13) .
In4 N2_79 2.310(10) .
In4 N1_79 2.353(10) .
N1_75 C5_75 1.346(15) .
N1_75 C1_75 1.363(16) .
N2_75 C10_75 1.343(16) .
N2_75 C6_75 1.376(16) .
C1_75 C2_75 1.390(18) .
C1_75 H1_75 0.9500 .
C2_75 C3_75 1.355(18) .
C2_75 H2_75 0.9500 .
C3_75 C4_75 1.403(18) .
C3_75 H3_75 0.9500 .
C4_75 C5_75 1.378(18) .
C4_75 H4_75 0.9500 .
C5_75 C6_75 1.481(17) .
C6_75 C7_75 1.356(17) .
C7_75 C8_75 1.412(18) .
C7_75 H7_75 0.9500 .
C8_75 C9_75 1.357(19) .
C8_75 H8_75 0.9500 .
C9_75 C10_75 1.359(18) .
C9_75 H9_75 0.9500 .
C10_75 H10_75 0.9500 .
N1_76 C5_76 1.322(15) .
N1_76 C1_76 1.348(16) .
N2_76 C10_76 1.311(15) .
N2_76 C6_76 1.353(15) .
C1_76 C2_76 1.326(17) .
C1_76 H1_76 0.9500 .
C2_76 C3_76 1.444(19) .
C2_76 H2_76 0.9500 .
C3_76 C4_76 1.41(2) .
C3_76 H3_76 0.9500 .
C4_76 C5_76 1.351(17) .
C4_76 H4_76 0.9500 .
C5_76 C6_76 1.525(18) .
C6_76 C7_76 1.372(17) .
C7_76 C9_76 1.380(18) .
C7_76 H7_76 0.9500 .
C9_76 C8_76 1.362(18) .
C9_76 H9_76 0.9500 .
C8_76 C10_76 1.404(18) .
C8_76 H8_76 0.9500 .
C10_76 H10_76 0.9500 .
N1_77 C1_77 1.343(16) .
N1_77 C5_77 1.368(16) .
N2_77 C10_77 1.344(15) .
N2_77 C6_77 1.346(15) .
C1_77 C2_77 1.379(18) .
C1_77 H1_77 0.9500 .
C2_77 C3_77 1.395(19) .
C2_77 H2_77 0.9500 .
C3_77 C4_77 1.358(18) .
C3_77 H3_77 0.9500 .
C4_77 C5_77 1.405(17) .
C4_77 H4_77 0.9500 .
C5_77 C6_77 1.486(18) .
C6_77 C7_77 1.389(18) .
C7_77 C8_77 1.366(18) .
C7_77 H7_77 0.9500 .
C8_77 C9_77 1.366(18) .
C8_77 H8_77 0.9500 .
C9_77 C10_77 1.363(17) .
C9_77 H9_77 0.9500 .
C10_77 H10_77 0.9500 .
N1_78 C5_78 1.333(16) .
N1_78 C1_78 1.352(15) .
N2_78 C6_78 1.335(16) .
N2_78 C10_78 1.375(16) .
C1_78 C2_78 1.393(17) .
C1_78 H1_78 0.9500 .
C2_78 C3_78 1.384(18) .
C2_78 H2_78 0.9500 .
C3_78 C4_78 1.415(19) .
C3_78 H3_78 0.9500 .
C4_78 C5_78 1.356(17) .
C4_78 H4_78 0.9500 .
C5_78 C6_78 1.483(17) .
C6_78 C7_78 1.442(19) .
C7_78 C8_78 1.354(19) .
C7_78 H7_78 0.9500 .
C8_78 C9_78 1.38(2) .
C8_78 H8_78 0.9500 .
C9_78 C10_78 1.355(19) .
C9_78 H9_78 0.9500 .
C10_78 H10_78 0.9500 .
N1_79 C5_79 1.350(16) .
N1_79 C1_79 1.371(16) .
N2_79 C10_79 1.351(16) .
N2_79 C6_79 1.368(15) .
C1_79 C2_79 1.368(18) .
C1_79 H1_79 0.9500 .
C2_79 C3_79 1.363(19) .
C2_79 H2_79 0.9500 .
C3_79 C4_79 1.444(18) .
C3_79 H3_79 0.9500 .
C4_79 C5_79 1.414(18) .
C4_79 H4_79 0.9500 .
C5_79 C6_79 1.497(17) .
C6_79 C7_79 1.366(18) .
C7_79 C8_79 1.402(19) .
C7_79 H7_79 0.9500 .
C8_79 C9_79 1.42(2) .
C8_79 H8_79 0.9500 .
C9_79 C10_79 1.368(18) .
C9_79 H9_79 0.9500 .
C10_79 H10_79 0.9500 .
N1_80 C5_80 1.352(15) .
N1_80 C1_80 1.369(15) .
N2_80 C10_80 1.326(15) .
N2_80 C6_80 1.331(15) .
C1_80 C2_80 1.353(17) .
C1_80 H1_80 0.9500 .
C2_80 C3_80 1.382(18) .
C2_80 H2_80 0.9500 .
C3_80 C4_80 1.388(18) .
C3_80 H3_80 0.9500 .
C4_80 C5_80 1.392(17) .
C4_80 H4_80 0.9500 .
C5_80 C6_80 1.520(18) .
C6_80 C7_80 1.409(17) .
C7_80 C8_80 1.403(19) .
C7_80 H7_80 0.9500 .
C8_80 C9_80 1.352(19) .
C8_80 H8_80 0.9500 .
C9_80 C10_80 1.402(17) .
C9_80 H9_80 0.9500 .
C10_80 H10_80 0.9500 .
In5 N1_82 2.309(11) .
In5 N1_81 2.348(10) .
In5 N2_81 2.387(10) .
In5 N2_82 2.392(10) .
In5 In6 2.7259(14) .
In5 In8 2.8165(14) .
In6 N1_84 2.307(10) .
In6 N2_84 2.335(10) .
In6 In8 2.6074(11) .
In6 In7 2.7331(14) .
In7 N2_85 2.341(10) .
In7 N1_86 2.354(10) .
In7 N1_85 2.403(10) .
In7 N2_86 2.405(10) .
In7 In8 2.8202(14) .
In8 N2_83 2.347(10) .
In8 N1_83 2.373(10) .
N1_81 C1_81 1.307(16) .
N1_81 C5_81 1.343(15) .
N2_81 C10_81 1.386(16) .
N2_81 C6_81 1.388(15) .
C1_81 C2_81 1.401(19) .
C1_81 H1_81 0.9500 .
C2_81 C3_81 1.395(19) .
C2_81 H2_81 0.9500 .
C3_81 C4_81 1.359(19) .
C3_81 H3_81 0.9500 .
C4_81 C5_81 1.396(17) .
C4_81 H4_81 0.9500 .
C5_81 C6_81 1.467(17) .
C6_81 C7_81 1.396(17) .
C7_81 C8_81 1.367(18) .
C7_81 H7_81 0.9500 .
C8_81 C9_81 1.379(19) .
C8_81 H8_81 0.9500 .
C9_81 C10_81 1.398(18) .
C9_81 H9_81 0.9500 .
C10_81 H10_81 0.9500 .
N1_82 C5_82 1.338(15) .
N1_82 C1_82 1.350(16) .
N2_82 C10_82 1.333(15) .
N2_82 C6_82 1.364(16) .
C1_82 C2_82 1.367(18) .
C1_82 H1_82 0.9500 .
C2_82 C3_82 1.372(19) .
C2_82 H2_82 0.9500 .
C3_82 C4_82 1.396(19) .
C3_82 H3_82 0.9500 .
C4_82 C5_82 1.390(18) .
C4_82 H4_82 0.9500 .
C5_82 C6_82 1.495(17) .
C6_82 C7_82 1.391(17) .
C7_82 C8_82 1.394(19) .
C7_82 H7_82 0.9500 .
C8_82 C9_82 1.343(19) .
C8_82 H8_82 0.9500 .
C9_82 C10_82 1.404(18) .
C9_82 H9_82 0.9500 .
C10_82 H10_82 0.9500 .
N1_83 C1_83 1.328(16) .
N1_83 C5_83 1.350(16) .
N2_83 C6_83 1.360(16) .
N2_83 C10_83 1.382(16) .
C1_83 C2_83 1.389(18) .
C1_83 H1_83 0.9500 .
C2_83 C3_83 1.384(19) .
C2_83 H2_83 0.9500 .
C3_83 C4_83 1.359(18) .
C3_83 H3_83 0.9500 .
C4_83 C5_83 1.369(18) .
C4_83 H4_83 0.9500 .
C5_83 C6_83 1.475(16) .
C6_83 C7_83 1.419(17) .
C7_83 C8_83 1.356(17) .
C7_83 H7_83 0.9500 .
C8_83 C9_83 1.388(18) .
C8_83 H8_83 0.9500 .
C9_83 C10_83 1.380(18) .
C9_83 H9_83 0.9500 .
C10_83 H10_83 0.9500 .
N1_84 C5_84 1.330(16) .
N1_84 C1_84 1.350(15) .
N2_84 C10_84 1.350(15) .
N2_84 C6_84 1.383(16) .
C1_84 C2_84 1.366(17) .
C1_84 H1_84 0.9500 .
C2_84 C3_84 1.398(18) .
C2_84 H2_84 0.9500 .
C3_84 C4_84 1.337(17) .
C3_84 H3_84 0.9500 .
C4_84 C5_84 1.431(17) .
C4_84 H4_84 0.9500 .
C5_84 C6_84 1.487(15) .
C6_84 C7_84 1.353(17) .
C7_84 C8_84 1.443(16) .
C7_84 H7_84 0.9500 .
C8_84 C9_84 1.382(18) .
C8_84 H8_84 0.9500 .
C9_84 C10_84 1.359(18) .
C9_84 H9_84 0.9500 .
C10_84 H10_84 0.9500 .
N1_85 C5_85 1.345(15) .
N1_85 C1_85 1.380(16) .
N2_85 C6_85 1.360(16) .
N2_85 C10_85 1.362(17) .
C1_85 C2_85 1.387(18) .
C1_85 H1_85 0.9500 .
C2_85 C3_85 1.372(19) .
C2_85 H2_85 0.9500 .
C3_85 C4_85 1.398(19) .
C3_85 H3_85 0.9500 .
C4_85 C5_85 1.347(17) .
C4_85 H4_85 0.9500 .
C5_85 C6_85 1.494(17) .
C6_85 C7_85 1.420(18) .
C7_85 C8_85 1.344(19) .
C7_85 H7_85 0.9500 .
C8_85 C9_85 1.36(2) .
C8_85 H8_85 0.9500 .
C9_85 C10_85 1.413(19) .
C9_85 H9_85 0.9500 .
C10_85 H10_85 0.9500 .
N1_86 C1_86 1.343(16) .
N1_86 C5_86 1.373(15) .
N2_86 C6_86 1.325(15) .
N2_86 C10_86 1.324(16) .
C1_86 C2_86 1.414(19) .
C1_86 H1_86 0.9500 .
C2_86 C3_86 1.350(18) .
C2_86 H2_86 0.9500 .
C3_86 C4_86 1.378(18) .
C3_86 H3_86 0.9500 .
C4_86 C5_86 1.403(17) .
C4_86 H4_86 0.9500 .
C5_86 C6_86 1.492(18) .
C6_86 C7_86 1.413(17) .
C7_86 C8_86 1.40(2) .
C7_86 H7_86 0.9500 .
C8_86 C9_86 1.34(2) .
C8_86 H8_86 0.9500 .
C9_86 C10_86 1.405(19) .
C9_86 H9_86 0.9500 .
C10_86 H10_86 0.9500 .
In9 N1_88 2.299(10) .
In9 N2_87 2.341(10) .
In9 N1_87 2.393(10) .
In9 N2_88 2.420(10) .
In9 In10 2.7593(14) .
In9 In12 2.8083(14) .
In10 N2_90 2.322(10) .
In10 N1_90 2.326(10) .
In10 In12 2.5965(12) .
In10 In11 2.7662(14) .
In11 N2_92 2.335(10) .
In11 N2_91 2.353(10) .
In11 N1_91 2.376(10) .
In11 N1_92 2.380(10) .
In11 In12 2.7856(14) .
In12 N2_89 2.312(10) .
In12 N1_89 2.360(10) .
N1_87 C5_87 1.338(15) .
N1_87 C1_87 1.346(16) .
N2_87 C6_87 1.343(15) .
N2_87 C10_87 1.350(16) .
C1_87 C2_87 1.402(18) .
C1_87 H1_87 0.9500 .
C2_87 C3_87 1.314(18) .
C2_87 H2_87 0.9500 .
C3_87 C4_87 1.369(19) .
C3_87 H3_87 0.9500 .
C4_87 C5_87 1.408(17) .
C4_87 H4_87 0.9500 .
C5_87 C6_87 1.494(17) .
C6_87 C7_87 1.379(17) .
C7_87 C8_87 1.36(2) .
C7_87 H7_87 0.9500 .
C8_87 C9_87 1.38(2) .
C8_87 H8_87 0.9500 .
C9_87 C10_87 1.410(19) .
C9_87 H9_87 0.9500 .
C10_87 H10_87 0.9500 .
N1_88 C5_88 1.354(15) .
N1_88 C1_88 1.364(15) .
N2_88 C6_88 1.326(16) .
N2_88 C10_88 1.341(16) .
C1_88 C2_88 1.355(17) .
C1_88 H1_88 0.9500 .
C2_88 C3_88 1.352(18) .
C2_88 H2_88 0.9500 .
C3_88 C4_88 1.416(19) .
C3_88 H3_88 0.9500 .
C4_88 C5_88 1.403(18) .
C4_88 H4_88 0.9500 .
C5_88 C6_88 1.494(17) .
C6_88 C7_88 1.384(18) .
C7_88 C8_88 1.37(2) .
C7_88 H7_88 0.9500 .
C8_88 C9_88 1.36(2) .
C8_88 H8_88 0.9500 .
C9_88 C10_88 1.396(18) .
C9_88 H9_88 0.9500 .
C10_88 H10_88 0.9500 .
N1_89 C5_89 1.339(16) .
N1_89 C1_89 1.345(16) .
N2_89 C10_89 1.354(16) .
N2_89 C6_89 1.393(16) .
C1_89 C2_89 1.397(18) .
C1_89 H1_89 0.9500 .
C2_89 C3_89 1.37(2) .
C2_89 H2_89 0.9500 .
C3_89 C4_89 1.369(19) .
C3_89 H3_89 0.9500 .
C4_89 C5_89 1.403(18) .
C4_89 H4_89 0.9500 .
C5_89 C6_89 1.438(17) .
C6_89 C7_89 1.391(17) .
C7_89 C8_89 1.366(18) .
C7_89 H7_89 0.9500 .
C8_89 C9_89 1.424(19) .
C8_89 H8_89 0.9500 .
C9_89 C10_89 1.394(18) .
C9_89 H9_89 0.9500 .
C10_89 H10_89 0.9500 .
N1_90 C1_90 1.346(15) .
N1_90 C5_90 1.371(16) .
N2_90 C10_90 1.341(16) .
N2_90 C6_90 1.356(16) .
C1_90 C2_90 1.423(18) .
C1_90 H1_90 0.9500 .
C2_90 C3_90 1.41(2) .
C2_90 H2_90 0.9500 .
C3_90 C4_90 1.300(18) .
C3_90 H3_90 0.9500 .
C4_90 C5_90 1.398(17) .
C4_90 H4_90 0.9500 .
C5_90 C6_90 1.469(17) .
C6_90 C7_90 1.426(17) .
C7_90 C8_90 1.350(18) .
C7_90 H7_90 0.9500 .
C8_90 C9_90 1.39(2) .
C8_90 H8_90 0.9500 .
C9_90 C10_90 1.378(19) .
C9_90 H9_90 0.9500 .
C10_90 H10_90 0.9500 .
N1_91 C1_91 1.350(16) .
N1_91 C5_91 1.387(16) .
N2_91 C10_91 1.365(16) .
N2_91 C6_91 1.366(16) .
C1_91 C2_91 1.345(18) .
C1_91 H1_91 0.9500 .
C2_91 C3_91 1.374(19) .
C2_91 H2_91 0.9500 .
C3_91 C4_91 1.345(19) .
C3_91 H3_91 0.9500 .
C4_91 C5_91 1.378(18) .
C4_91 H4_91 0.9500 .
C5_91 C6_91 1.488(17) .
C6_91 C7_91 1.367(18) .
C7_91 C8_91 1.414(19) .
C7_91 H7_91 0.9500 .
C8_91 C9_91 1.347(19) .
C8_91 H8_91 0.9500 .
C9_91 C10_91 1.354(18) .
C9_91 H9_91 0.9500 .
C10_91 H10_91 0.9500 .
N1_92 C5_92 1.359(15) .
N1_92 C1_92 1.363(16) .
N2_92 C10_92 1.301(16) .
N2_92 C6_92 1.383(15) .
C1_92 C2_92 1.351(18) .
C1_92 H1_92 0.9500 .
C2_92 C3_92 1.406(18) .
C2_92 H2_92 0.9500 .
C3_92 C4_92 1.36(2) .
C3_92 H3_92 0.9500 .
C4_92 C5_92 1.372(17) .
C4_92 H4_92 0.9500 .
C5_92 C6_92 1.463(18) .
C6_92 C7_92 1.393(17) .
C7_92 C8_92 1.389(19) .
C7_92 H7_92 0.9500 .
C8_92 C9_92 1.366(18) .
C8_92 H8_92 0.9500 .
C9_92 C10_92 1.400(18) .
C9_92 H9_92 0.9500 .
C10_92 H10_92 0.9500 .
In13 N1_94 2.333(10) .
In13 N2_93 2.334(10) .
In13 N2_94 2.375(10) .
In13 N1_93 2.405(10) .
In13 In14 2.7523(13) .
In13 In16 2.7980(13) .
In14 N2_95 2.298(10) .
In14 N1_95 2.394(10) .
In14 In16 2.6069(12) .
In14 In15 2.7444(13) .
In15 N2_97 2.315(11) .
In15 N1_98 2.326(11) .
In15 N1_97 2.378(10) .
In15 N2_98 2.403(10) .
In15 In16 2.7887(14) .
In16 N2_96 2.304(10) .
In16 N1_96 2.350(10) .
N1_93 C5_93 1.320(15) .
N1_93 C1_93 1.348(16) .
N2_93 C6_93 1.339(15) .
N2_93 C10_93 1.344(15) .
C1_93 C2_93 1.350(18) .
C1_93 H1_93 0.9500 .
C2_93 C3_93 1.357(19) .
C2_93 H2_93 0.9500 .
C3_93 C4_93 1.399(19) .
C3_93 H3_93 0.9500 .
C4_93 C5_93 1.428(17) .
C4_93 H4_93 0.9500 .
C5_93 C6_93 1.487(17) .
C6_93 C7_93 1.409(17) .
C7_93 C8_93 1.417(17) .
C7_93 H7_93 0.9500 .
C8_93 C9_93 1.373(17) .
C8_93 H8_93 0.9500 .
C9_93 C10_93 1.380(16) .
C9_93 H9_93 0.9500 .
C10_93 H10_93 0.9500 .
N1_94 C5_94 1.325(15) .
N1_94 C1_94 1.342(16) .
N2_94 C6_94 1.318(15) .
N2_94 C10_94 1.354(16) .
C1_94 C2_94 1.398(19) .
C1_94 H1_94 0.9500 .
C2_94 C3_94 1.38(2) .
C2_94 H2_94 0.9500 .
C3_94 C4_94 1.375(19) .
C3_94 H3_94 0.9500 .
C4_94 C5_94 1.372(18) .
C4_94 H4_94 0.9500 .
C5_94 C6_94 1.530(17) .
C6_94 C7_94 1.350(18) .
C7_94 C8_94 1.40(2) .
C7_94 H7_94 0.9500 .
C8_94 C9_94 1.37(2) .
C8_94 H8_94 0.9500 .
C9_94 C10_94 1.397(19) .
C9_94 H9_94 0.9500 .
C10_94 H10_94 0.9500 .
N1_95 C1_95 1.328(16) .
N1_95 C5_95 1.355(15) .
N2_95 C10_95 1.330(16) .
N2_95 C6_95 1.358(16) .
C1_95 C2_95 1.394(19) .
C1_95 H1_95 0.9500 .
C2_95 C3_95 1.372(19) .
C2_95 H2_95 0.9500 .
C3_95 C4_95 1.436(18) .
C3_95 H3_95 0.9500 .
C4_95 C5_95 1.413(17) .
C4_95 H4_95 0.9500 .
C5_95 C6_95 1.466(17) .
C6_95 C7_95 1.402(18) .
C7_95 C8_95 1.342(18) .
C7_95 H7_95 0.9500 .
C8_95 C9_95 1.386(18) .
C8_95 H8_95 0.9500 .
C9_95 C10_95 1.359(18) .
C9_95 H9_95 0.9500 .
C10_95 H10_95 0.9500 .
N1_96 C1_96 1.341(15) .
N1_96 C5_96 1.349(15) .
N2_96 C10_96 1.321(16) .
N2_96 C6_96 1.367(15) .
C1_96 C2_96 1.398(18) .
C1_96 H1_96 0.9500 .
C2_96 C3_96 1.373(19) .
C2_96 H2_96 0.9500 .
C3_96 C4_96 1.373(18) .
C3_96 H3_96 0.9500 .
C4_96 C5_96 1.379(17) .
C4_96 H4_96 0.9500 .
C5_96 C6_96 1.507(17) .
C6_96 C7_96 1.401(17) .
C7_96 C8_96 1.367(19) .
C7_96 H7_96 0.9500 .
C8_96 C9_96 1.39(2) .
C8_96 H8_96 0.9500 .
C9_96 C10_96 1.39(2) .
C9_96 H9_96 0.9500 .
C10_96 H10_96 0.9500 .
N1_97 C5_97 1.336(15) .
N1_97 C1_97 1.407(18) .
N2_97 C10_97 1.311(16) .
N2_97 C6_97 1.345(15) .
C1_97 C2_97 1.40(2) .
C1_97 H1_97 0.9500 .
C2_97 C3_97 1.35(2) .
C2_97 H2_97 0.9500 .
C3_97 C4_97 1.385(19) .
C3_97 H3_97 0.9500 .
C4_97 C5_97 1.401(17) .
C4_97 H4_97 0.9500 .
C5_97 C6_97 1.526(17) .
C6_97 C7_97 1.407(18) .
C7_97 C8_97 1.35(2) .
C7_97 H7_97 0.9500 .
C8_97 C9_97 1.36(2) .
C8_97 H8_97 0.9500 .
C9_97 C10_97 1.399(18) .
C9_97 H9_97 0.9500 .
C10_97 H10_97 0.9500 .
N1_98 C5_98 1.333(16) .
N1_98 C1_98 1.348(16) .
N2_98 C10_98 1.300(16) .
N2_98 C6_98 1.372(15) .
C1_98 C2_98 1.39(2) .
C1_98 H1_98 0.9500 .
C2_98 C3_98 1.35(2) .
C2_98 H2_98 0.9500 .
C3_98 C4_98 1.39(2) .
C3_98 H3_98 0.9500 .
C4_98 C5_98 1.412(18) .
C4_98 H4_98 0.9500 .
C5_98 C6_98 1.488(17) .
C6_98 C7_98 1.383(18) .
C7_98 C8_98 1.39(2) .
C7_98 H7_98 0.9500 .
C8_98 C9_98 1.37(2) .
C8_98 H8_98 0.9500 .
C9_98 C10_98 1.407(19) .
C9_98 H9_98 0.9500 .
C10_98 H10_98 0.9500 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O1_2 Al1 O1_1 C1_1 104(3) . . . .
O1_4 Al1 O1_1 C1_1 -152(3) . . . .
O1_3 Al1 O1_1 C1_1 -31(3) . . . .
O1A Al1 O1_1 C1_1 77(3) . . . .
Al1 O1_1 C1_1 C2_1 -5(3) . . . .
Al1 O1_1 C1_1 C3_1 115(3) . . . .
Al1 O1_1 C1_1 C4_1 -125(2) . . . .
O1_1 C1_1 C2_1 F2_1 -162.4(11) . . . .
C3_1 C1_1 C2_1 F2_1 78.8(12) . . . .
C4_1 C1_1 C2_1 F2_1 -44.4(13) . . . .
O1_1 C1_1 C2_1 F3_1 77.4(12) . . . .
C3_1 C1_1 C2_1 F3_1 -41.3(12) . . . .
C4_1 C1_1 C2_1 F3_1 -164.5(9) . . . .
O1_1 C1_1 C2_1 F1_1 -40.8(13) . . . .
C3_1 C1_1 C2_1 F1_1 -159.5(9) . . . .
C4_1 C1_1 C2_1 F1_1 77.3(11) . . . .
O1_1 C1_1 C3_1 F6_1 -164.4(10) . . . .
C2_1 C1_1 C3_1 F6_1 -45.0(12) . . . .
C4_1 C1_1 C3_1 F6_1 77.7(12) . . . .
O1_1 C1_1 C3_1 F5_1 -44.3(13) . . . .
C2_1 C1_1 C3_1 F5_1 75.2(12) . . . .
C4_1 C1_1 C3_1 F5_1 -162.1(10) . . . .
O1_1 C1_1 C3_1 F4_1 74.0(12) . . . .
C2_1 C1_1 C3_1 F4_1 -166.6(10) . . . .
C4_1 C1_1 C3_1 F4_1 -43.9(13) . . . .
O1_1 C1_1 C4_1 F8_1 -162.8(11) . . . .
C2_1 C1_1 C4_1 F8_1 78.1(12) . . . .
C3_1 C1_1 C4_1 F8_1 -44.5(14) . . . .
O1_1 C1_1 C4_1 F7_1 -46.3(13) . . . .
C2_1 C1_1 C4_1 F7_1 -165.5(10) . . . .
C3_1 C1_1 C4_1 F7_1 72.0(13) . . . .
O1_1 C1_1 C4_1 F9_1 77.3(13) . . . .
C2_1 C1_1 C4_1 F9_1 -41.8(13) . . . .
C3_1 C1_1 C4_1 F9_1 -164.4(11) . . . .
O1_1 Al1 O1A C1_2 104(3) . . . .
O1_4 Al1 O1A C1_2 -21(3) . . . .
O1_3 Al1 O1A C1_2 -143(3) . . . .
O1_1 Al1 O1_2 C1_2 -51(4) . . . .
O1_4 Al1 O1_2 C1_2 -165(4) . . . .
O1_3 Al1 O1_2 C1_2 81(4) . . . .
Al1 O1_2 C1_2 C4_2 81(4) . . . .
Al1 O1_2 C1_2 C3_2 -53(5) . . . .
Al1 O1_2 C1_2 C2_2 -168(4) . . . .
Al1 O1A C1_2 C4_2 -74(3) . . . .
Al1 O1A C1_2 C3_2 170(2) . . . .
Al1 O1A C1_2 C2_2 54(3) . . . .
O1_2 C1_2 C2_2 F2_2 173.8(15) . . . .
O1A C1_2 C2_2 F2_2 154.2(14) . . . .
C4_2 C1_2 C2_2 F2_2 -77.6(13) . . . .
C3_2 C1_2 C2_2 F2_2 45.8(14) . . . .
O1_2 C1_2 C2_2 F1_2 -63.4(16) . . . .
O1A C1_2 C2_2 F1_2 -83.0(17) . . . .
C4_2 C1_2 C2_2 F1_2 45.2(14) . . . .
C3_2 C1_2 C2_2 F1_2 168.6(11) . . . .
O1_2 C1_2 C2_2 F3_2 55.2(15) . . . .
O1A C1_2 C2_2 F3_2 35.7(18) . . . .
C4_2 C1_2 C2_2 F3_2 163.9(11) . . . .
C3_2 C1_2 C2_2 F3_2 -72.7(13) . . . .
O1_2 C1_2 C3_2 F4_2 60.1(19) . . . .
O1A C1_2 C3_2 F4_2 43.1(16) . . . .
C4_2 C1_2 C3_2 F4_2 -71.6(15) . . . .
C2_2 C1_2 C3_2 F4_2 166.2(12) . . . .
O1_2 C1_2 C3_2 F5_2 -62.8(19) . . . .
O1A C1_2 C3_2 F5_2 -79.8(15) . . . .
C4_2 C1_2 C3_2 F5_2 165.5(11) . . . .
C2_2 C1_2 C3_2 F5_2 43.3(15) . . . .
O1_2 C1_2 C3_2 F6_2 175.0(14) . . . .
O1A C1_2 C3_2 F6_2 157.9(13) . . . .
C4_2 C1_2 C3_2 F6_2 43.3(14) . . . .
C2_2 C1_2 C3_2 F6_2 -79.0(13) . . . .
O1_2 C1_2 C4_2 F7_2 -98.5(14) . . . .
O1A C1_2 C4_2 F7_2 -63.6(14) . . . .
C3_2 C1_2 C4_2 F7_2 41.6(14) . . . .
C2_2 C1_2 C4_2 F7_2 163.7(11) . . . .
O1_2 C1_2 C4_2 F8_2 141.0(13) . . . .
O1A C1_2 C4_2 F8_2 175.9(12) . . . .
C3_2 C1_2 C4_2 F8_2 -78.9(14) . . . .
C2_2 C1_2 C4_2 F8_2 43.3(14) . . . .
O1_2 C1_2 C4_2 F9_2 22.0(16) . . . .
O1A C1_2 C4_2 F9_2 57.0(15) . . . .
C3_2 C1_2 C4_2 F9_2 162.2(11) . . . .
C2_2 C1_2 C4_2 F9_2 -75.7(14) . . . .
O1_2 Al1 O1_3 C1_3 59(2) . . . .
O1_1 Al1 O1_3 C1_3 -165(2) . . . .
O1_4 Al1 O1_3 C1_3 -44(2) . . . .
O1A Al1 O1_3 C1_3 83(2) . . . .
Al1 O1_3 C1_3 C4_3 31(2) . . . .
Al1 O1_3 C1_3 C2_3 150.1(18) . . . .
Al1 O1_3 C1_3 C3_3 -91(2) . . . .
O1_3 C1_3 C2_3 F3_3 73.2(12) . . . .
C4_3 C1_3 C2_3 F3_3 -166.6(9) . . . .
C3_3 C1_3 C2_3 F3_3 -47.5(12) . . . .
O1_3 C1_3 C2_3 F1_3 -46.4(13) . . . .
C4_3 C1_3 C2_3 F1_3 73.8(12) . . . .
C3_3 C1_3 C2_3 F1_3 -167.1(10) . . . .
O1_3 C1_3 C2_3 F2_3 -165.9(10) . . . .
C4_3 C1_3 C2_3 F2_3 -45.7(13) . . . .
C3_3 C1_3 C2_3 F2_3 73.5(12) . . . .
O1_3 C1_3 C3_3 F5_3 -41.5(13) . . . .
C4_3 C1_3 C3_3 F5_3 -163.7(9) . . . .
C2_3 C1_3 C3_3 F5_3 77.2(11) . . . .
O1_3 C1_3 C3_3 F4_3 78.1(12) . . . .
C4_3 C1_3 C3_3 F4_3 -44.1(12) . . . .
C2_3 C1_3 C3_3 F4_3 -163.2(10) . . . .
O1_3 C1_3 C3_3 F6_3 -162.5(10) . . . .
C4_3 C1_3 C3_3 F6_3 75.3(11) . . . .
C2_3 C1_3 C3_3 F6_3 -43.8(12) . . . .
O1_3 C1_3 C4_3 F9_3 70.8(12) . . . .
C2_3 C1_3 C4_3 F9_3 -47.9(12) . . . .
C3_3 C1_3 C4_3 F9_3 -166.6(9) . . . .
O1_3 C1_3 C4_3 F7_3 -49.4(12) . . . .
C2_3 C1_3 C4_3 F7_3 -168.1(9) . . . .
C3_3 C1_3 C4_3 F7_3 73.2(11) . . . .
O1_3 C1_3 C4_3 F8_3 -170.3(10) . . . .
C2_3 C1_3 C4_3 F8_3 70.9(11) . . . .
C3_3 C1_3 C4_3 F8_3 -47.7(11) . . . .
O1_2 Al1 O1_4 C1_4 113(3) . . . .
O1_1 Al1 O1_4 C1_4 -8(3) . . . .
O1_3 Al1 O1_4 C1_4 -128(3) . . . .
O1A Al1 O1_4 C1_4 116(3) . . . .
Al1 O1_4 C1_4 C3_4 -174(2) . . . .
Al1 O1_4 C1_4 C2_4 64(3) . . . .
Al1 O1_4 C1_4 C4_4 -55(3) . . . .
O1_4 C1_4 C2_4 F1_4 -78.6(12) . . . .
C3_4 C1_4 C2_4 F1_4 160.8(10) . . . .
C4_4 C1_4 C2_4 F1_4 42.0(12) . . . .
O1_4 C1_4 C2_4 F3_4 42.7(14) . . . .
C3_4 C1_4 C2_4 F3_4 -77.9(12) . . . .
C4_4 C1_4 C2_4 F3_4 163.3(10) . . . .
O1_4 C1_4 C2_4 F2_4 163.0(10) . . . .
C3_4 C1_4 C2_4 F2_4 42.4(12) . . . .
C4_4 C1_4 C2_4 F2_4 -76.4(11) . . . .
O1_4 C1_4 C3_4 F4_4 39.4(13) . . . .
C2_4 C1_4 C3_4 F4_4 162.6(9) . . . .
C4_4 C1_4 C3_4 F4_4 -79.9(11) . . . .
O1_4 C1_4 C3_4 F6_4 162.6(10) . . . .
C2_4 C1_4 C3_4 F6_4 -74.1(12) . . . .
C4_4 C1_4 C3_4 F6_4 43.4(12) . . . .
O1_4 C1_4 C3_4 F5_4 -76.4(11) . . . .
C2_4 C1_4 C3_4 F5_4 46.8(12) . . . .
C4_4 C1_4 C3_4 F5_4 164.3(9) . . . .
O1_4 C1_4 C4_4 F9_4 41.1(12) . . . .
C3_4 C1_4 C4_4 F9_4 159.2(9) . . . .
C2_4 C1_4 C4_4 F9_4 -81.2(10) . . . .
O1_4 C1_4 C4_4 F8_4 162.4(10) . . . .
C3_4 C1_4 C4_4 F8_4 -79.5(11) . . . .
C2_4 C1_4 C4_4 F8_4 40.1(12) . . . .
O1_4 C1_4 C4_4 F7_4 -77.4(12) . . . .
C3_4 C1_4 C4_4 F7_4 40.8(12) . . . .
C2_4 C1_4 C4_4 F7_4 160.4(9) . . . .
O1_49 Al2 O1_5 C1_5 80(3) . . . .
O1_8 Al2 O1_5 C1_5 -163(3) . . . .
O1_7 Al2 O1_5 C1_5 -48(4) . . . .
Al2 O1_5 C1_5 C4_5 -174(3) . . . .
Al2 O1_5 C1_5 C3_5 -50(4) . . . .
Al2 O1_5 C1_5 C2_5 70(4) . . . .
O1_5 C1_5 C2_5 F2_5 160.4(15) . . . .
C4_5 C1_5 C2_5 F2_5 40.4(16) . . . .
C3_5 C1_5 C2_5 F2_5 -77.3(15) . . . .
O1_5 C1_5 C2_5 F3_5 -79.2(17) . . . .
C4_5 C1_5 C2_5 F3_5 160.8(13) . . . .
C3_5 C1_5 C2_5 F3_5 43.1(15) . . . .
O1_5 C1_5 C2_5 F1_5 38.7(17) . . . .
C4_5 C1_5 C2_5 F1_5 -81.3(14) . . . .
C3_5 C1_5 C2_5 F1_5 161.0(12) . . . .
O1_5 C1_5 C3_5 F4_5 -77.9(17) . . . .
C4_5 C1_5 C3_5 F4_5 47.1(16) . . . .
C2_5 C1_5 C3_5 F4_5 162.0(12) . . . .
O1_5 C1_5 C3_5 F6_5 159.0(15) . . . .
C4_5 C1_5 C3_5 F6_5 -76.0(16) . . . .
C2_5 C1_5 C3_5 F6_5 38.9(16) . . . .
O1_5 C1_5 C3_5 F5_5 42.3(18) . . . .
C4_5 C1_5 C3_5 F5_5 167.3(13) . . . .
C2_5 C1_5 C3_5 F5_5 -77.8(14) . . . .
O1_5 C1_5 C4_5 F7_5 45.6(18) . . . .
C3_5 C1_5 C4_5 F7_5 -80.1(16) . . . .
C2_5 C1_5 C4_5 F7_5 164.0(13) . . . .
O1_5 C1_5 C4_5 F9_5 -73.1(18) . . . .
C3_5 C1_5 C4_5 F9_5 161.2(13) . . . .
C2_5 C1_5 C4_5 F9_5 45.3(16) . . . .
O1_5 C1_5 C4_5 F8_5 167.3(16) . . . .
C3_5 C1_5 C4_5 F8_5 41.6(17) . . . .
C2_5 C1_5 C4_5 F8_5 -74.3(16) . . . .
O1_9 Al2 O1_23 C1_23 -93(5) . . . .
O1_22 Al2 O1_23 C1_23 143(5) . . . .
Al2 O1_23 C1_23 C4_23 67(6) . . . .
Al2 O1_23 C1_23 C3_23 -54(6) . . . .
Al2 O1_23 C1_23 C2_23 -173(5) . . . .
O1_23 C1_23 C2_23 F1_23 -38(2) . . . .
C4_23 C1_23 C2_23 F1_23 84(2) . . . .
C3_23 C1_23 C2_23 F1_23 -157.8(17) . . . .
O1_23 C1_23 C2_23 F2_23 -158(2) . . . .
C4_23 C1_23 C2_23 F2_23 -37(2) . . . .
C3_23 C1_23 C2_23 F2_23 81(2) . . . .
O1_23 C1_23 C2_23 F3_23 82(2) . . . .
C4_23 C1_23 C2_23 F3_23 -156.7(18) . . . .
C3_23 C1_23 C2_23 F3_23 -38(2) . . . .
O1_23 C1_23 C3_23 F6_23 -159(2) . . . .
C4_23 C1_23 C3_23 F6_23 78.1(19) . . . .
C2_23 C1_23 C3_23 F6_23 -40(2) . . . .
O1_23 C1_23 C3_23 F4_23 85(2) . . . .
C4_23 C1_23 C3_23 F4_23 -38.4(19) . . . .
C2_23 C1_23 C3_23 F4_23 -156.6(16) . . . .
O1_23 C1_23 C3_23 F5_23 -34(2) . . . .
C4_23 C1_23 C3_23 F5_23 -157.3(17) . . . .
C2_23 C1_23 C3_23 F5_23 84.5(19) . . . .
O1_23 C1_23 C4_23 F7_23 -49(3) . . . .
C3_23 C1_23 C4_23 F7_23 73(2) . . . .
C2_23 C1_23 C4_23 F7_23 -169(2) . . . .
O1_23 C1_23 C4_23 F9_23 74(2) . . . .
C3_23 C1_23 C4_23 F9_23 -163.5(17) . . . .
C2_23 C1_23 C4_23 F9_23 -46(2) . . . .
O1_23 C1_23 C4_23 F8_23 -169(2) . . . .
C3_23 C1_23 C4_23 F8_23 -47(2) . . . .
C2_23 C1_23 C4_23 F8_23 71(2) . . . .
O1_49 C1_49 C2_49 F1_49 -45.9(16) . . . .
C3_49 C1_49 C2_49 F1_49 -166.5(13) . . . .
C4_49 C1_49 C2_49 F1_49 74.7(15) . . . .
O1_49 C1_49 C2_49 F3_49 78.9(18) . . . .
C3_49 C1_49 C2_49 F3_49 -41.7(17) . . . .
C4_49 C1_49 C2_49 F3_49 -160.5(15) . . . .
O1_49 C1_49 C2_49 F2_49 -158.6(12) . . . .
C3_49 C1_49 C2_49 F2_49 80.9(13) . . . .
C4_49 C1_49 C2_49 F2_49 -37.9(15) . . . .
O1_49 C1_49 C3_49 F6_49 -166.8(13) . . . .
C2_49 C1_49 C3_49 F6_49 -43.7(16) . . . .
C4_49 C1_49 C3_49 F6_49 75.3(15) . . . .
O1_49 C1_49 C3_49 F4_49 74.5(15) . . . .
C2_49 C1_49 C3_49 F4_49 -162.4(13) . . . .
C4_49 C1_49 C3_49 F4_49 -43.4(14) . . . .
O1_49 C1_49 C3_49 F5_49 -43.3(15) . . . .
C2_49 C1_49 C3_49 F5_49 79.8(13) . . . .
C4_49 C1_49 C3_49 F5_49 -161.2(11) . . . .
O1_49 C1_49 C4_49 F7_49 -41.3(15) . . . .
C2_49 C1_49 C4_49 F7_49 -165.3(12) . . . .
C3_49 C1_49 C4_49 F7_49 77.6(13) . . . .
O1_49 C1_49 C4_49 F8_49 -168.7(13) . . . .
C2_49 C1_49 C4_49 F8_49 67.3(15) . . . .
C3_49 C1_49 C4_49 F8_49 -49.7(15) . . . .
O1_49 C1_49 C4_49 F9_49 73.9(14) . . . .
C2_49 C1_49 C4_49 F9_49 -50.1(14) . . . .
C3_49 C1_49 C4_49 F9_49 -167.1(10) . . . .
O1_49 Al2 O1_7 C1_7 37(3) . . . .
O1_8 Al2 O1_7 C1_7 -83(3) . . . .
O1_5 Al2 O1_7 C1_7 161(3) . . . .
Al2 O1_7 C1_7 C4_7 -66(3) . . . .
Al2 O1_7 C1_7 C2_7 66(3) . . . .
Al2 O1_7 C1_7 C3_7 179(2) . . . .
O1_7 C1_7 C2_7 F2_7 166.6(17) . . . .
C4_7 C1_7 C2_7 F2_7 -59.5(19) . . . .
C3_7 C1_7 C2_7 F2_7 49.6(18) . . . .
O1_7 C1_7 C2_7 F1_7 -69(2) . . . .
C4_7 C1_7 C2_7 F1_7 65(2) . . . .
C3_7 C1_7 C2_7 F1_7 174.4(17) . . . .
O1_7 C1_7 C2_7 F3_7 53.4(19) . . . .
C4_7 C1_7 C2_7 F3_7 -172.7(15) . . . .
C3_7 C1_7 C2_7 F3_7 -63.6(17) . . . .
O1_7 C1_7 C3_7 F5_7 -42(2) . . . .
C4_7 C1_7 C3_7 F5_7 -167.4(16) . . . .
C2_7 C1_7 C3_7 F5_7 74.5(18) . . . .
O1_7 C1_7 C3_7 F6_7 -161.2(16) . . . .
C4_7 C1_7 C3_7 F6_7 73.2(16) . . . .
C2_7 C1_7 C3_7 F6_7 -44.8(17) . . . .
O1_7 C1_7 C3_7 F4_7 63.3(19) . . . .
C4_7 C1_7 C3_7 F4_7 -62.2(17) . . . .
C2_7 C1_7 C3_7 F4_7 179.7(16) . . . .
O1_7 C1_7 C4_7 F9_7 115(2) . . . .
C2_7 C1_7 C4_7 F9_7 -14(2) . . . .
C3_7 C1_7 C4_7 F9_7 -124.7(17) . . . .
O1_7 C1_7 C4_7 F8_7 -132(2) . . . .
C2_7 C1_7 C4_7 F8_7 98(2) . . . .
C3_7 C1_7 C4_7 F8_7 -12(2) . . . .
O1_7 C1_7 C4_7 F7_7 -16(2) . . . .
C2_7 C1_7 C4_7 F7_7 -145.1(16) . . . .
C3_7 C1_7 C4_7 F7_7 104.3(17) . . . .
O1_49 Al2 O1_8 C1_8 151(4) . . . .
O1_5 Al2 O1_8 C1_8 31(4) . . . .
O1_7 Al2 O1_8 C1_8 -81(4) . . . .
Al2 O1_8 C1_8 C2_8 177(3) . . . .
Al2 O1_8 C1_8 C4_8 -63(4) . . . .
Al2 O1_8 C1_8 C3_8 56(4) . . . .
O1_8 C1_8 C2_8 F3_8 -46(2) . . . .
C4_8 C1_8 C2_8 F3_8 -165.0(16) . . . .
C3_8 C1_8 C2_8 F3_8 74.2(18) . . . .
O1_8 C1_8 C2_8 F1_8 74.9(18) . . . .
C4_8 C1_8 C2_8 F1_8 -44.1(18) . . . .
C3_8 C1_8 C2_8 F1_8 -164.9(14) . . . .
O1_8 C1_8 C2_8 F2_8 -166.1(17) . . . .
C4_8 C1_8 C2_8 F2_8 74.9(18) . . . .
C3_8 C1_8 C2_8 F2_8 -45.9(19) . . . .
O1_8 C1_8 C3_8 F6_8 -163.1(16) . . . .
C2_8 C1_8 C3_8 F6_8 76.9(16) . . . .
C4_8 C1_8 C3_8 F6_8 -44.4(16) . . . .
O1_8 C1_8 C3_8 F4_8 -44.9(18) . . . .
C2_8 C1_8 C3_8 F4_8 -164.9(14) . . . .
C4_8 C1_8 C3_8 F4_8 73.8(15) . . . .
O1_8 C1_8 C3_8 F5_8 74.3(17) . . . .
C2_8 C1_8 C3_8 F5_8 -45.7(17) . . . .
C4_8 C1_8 C3_8 F5_8 -167.0(13) . . . .
O1_8 C1_8 C4_8 F8_8 -166.1(16) . . . .
C2_8 C1_8 C4_8 F8_8 -46.7(18) . . . .
C3_8 C1_8 C4_8 F8_8 74.7(16) . . . .
O1_8 C1_8 C4_8 F7_8 76.7(19) . . . .
C2_8 C1_8 C4_8 F7_8 -163.9(15) . . . .
C3_8 C1_8 C4_8 F7_8 -42.5(17) . . . .
O1_8 C1_8 C4_8 F9_8 -43.9(18) . . . .
C2_8 C1_8 C4_8 F9_8 75.5(16) . . . .
C3_8 C1_8 C4_8 F9_8 -163.1(13) . . . .
O1_9 Al2 O1_22 C1_22 -167(4) . . . .
O1_23 Al2 O1_22 C1_22 -44(5) . . . .
Al2 O1_22 C1_22 C2_22 180(4) . . . .
Al2 O1_22 C1_22 C4_22 61(5) . . . .
Al2 O1_22 C1_22 C3_22 -60(5) . . . .
O1_22 C1_22 C2_22 F3_22 55(2) . . . .
C4_22 C1_22 C2_22 F3_22 175.3(19) . . . .
C3_22 C1_22 C2_22 F3_22 -66(2) . . . .
O1_22 C1_22 C2_22 F1_22 -67(2) . . . .
C4_22 C1_22 C2_22 F1_22 53(2) . . . .
C3_22 C1_22 C2_22 F1_22 171.5(17) . . . .
O1_22 C1_22 C2_22 F2_22 174(2) . . . .
C4_22 C1_22 C2_22 F2_22 -65(2) . . . .
C3_22 C1_22 C2_22 F2_22 53(2) . . . .
O1_22 C1_22 C3_22 F4_22 48(2) . . . .
C2_22 C1_22 C3_22 F4_22 170.5(16) . . . .
C4_22 C1_22 C3_22 F4_22 -72.4(18) . . . .
O1_22 C1_22 C3_22 F6_22 164.0(19) . . . .
C2_22 C1_22 C3_22 F6_22 -73.7(19) . . . .
C4_22 C1_22 C3_22 F6_22 43.4(19) . . . .
O1_22 C1_22 C3_22 F5_22 -70(2) . . . .
C2_22 C1_22 C3_22 F5_22 52.8(19) . . . .
C4_22 C1_22 C3_22 F5_22 169.8(16) . . . .
O1_22 C1_22 C4_22 F8_22 168.7(19) . . . .
C2_22 C1_22 C4_22 F8_22 47.2(19) . . . .
C3_22 C1_22 C4_22 F8_22 -70.4(18) . . . .
O1_22 C1_22 C4_22 F7_22 -74(2) . . . .
C2_22 C1_22 C4_22 F7_22 164.1(18) . . . .
C3_22 C1_22 C4_22 F7_22 46(2) . . . .
O1_22 C1_22 C4_22 F9_22 48(2) . . . .
C2_22 C1_22 C4_22 F9_22 -73.1(19) . . . .
C3_22 C1_22 C4_22 F9_22 169.3(16) . . . .
O1_23 Al2 O1_9 C1_9 -93(4) . . . .
O1_22 Al2 O1_9 C1_9 32(4) . . . .
Al2 O1_9 C1_9 C4_9 27(4) . . . .
Al2 O1_9 C1_9 C2_9 149(3) . . . .
Al2 O1_9 C1_9 C3_9 -94(4) . . . .
O1_9 C1_9 C2_9 F3_9 39(2) . . . .
C4_9 C1_9 C2_9 F3_9 161.6(17) . . . .
C3_9 C1_9 C2_9 F3_9 -68.2(19) . . . .
O1_9 C1_9 C2_9 F1_9 -79(2) . . . .
C4_9 C1_9 C2_9 F1_9 44(2) . . . .
C3_9 C1_9 C2_9 F1_9 174.1(16) . . . .
O1_9 C1_9 C2_9 F2_9 160.6(16) . . . .
C4_9 C1_9 C2_9 F2_9 -76.5(17) . . . .
C3_9 C1_9 C2_9 F2_9 53.7(17) . . . .
O1_9 C1_9 C3_9 F6_9 178.7(17) . . . .
C4_9 C1_9 C3_9 F6_9 60(2) . . . .
C2_9 C1_9 C3_9 F6_9 -69(2) . . . .
O1_9 C1_9 C3_9 F5_9 -55.6(16) . . . .
C4_9 C1_9 C3_9 F5_9 -174.4(15) . . . .
C2_9 C1_9 C3_9 F5_9 57.0(18) . . . .
O1_9 C1_9 C3_9 F4_9 54.7(18) . . . .
C4_9 C1_9 C3_9 F4_9 -64.2(19) . . . .
C2_9 C1_9 C3_9 F4_9 167.3(16) . . . .
O1_9 C1_9 C4_9 F8_9 135.4(19) . . . .
C2_9 C1_9 C4_9 F8_9 15(2) . . . .
C3_9 C1_9 C4_9 F8_9 -113.7(18) . . . .
O1_9 C1_9 C4_9 F7_9 -111.4(19) . . . .
C2_9 C1_9 C4_9 F7_9 128.5(17) . . . .
C3_9 C1_9 C4_9 F7_9 0(2) . . . .
O1_9 C1_9 C4_9 F9_9 27(2) . . . .
C2_9 C1_9 C4_9 F9_9 -92.9(18) . . . .
C3_9 C1_9 C4_9 F9_9 138.1(16) . . . .
O1_11 Al3 O1_10 C1_10 145(3) . . . .
O1_13 Al3 O1_10 C1_10 25(3) . . . .
O1_12 Al3 O1_10 C1_10 -94(3) . . . .
Al3 O1_10 C1_10 C2_10 74(3) . . . .
Al3 O1_10 C1_10 C3_10 -62(3) . . . .
Al3 O1_10 C1_10 C4_10 -173(3) . . . .
O1_10 C1_10 C2_10 F3_10 -42.5(19) . . . .
C3_10 C1_10 C2_10 F3_10 78.4(19) . . . .
C4_10 C1_10 C2_10 F3_10 -159.6(14) . . . .
O1_10 C1_10 C2_10 F2_10 -170.7(16) . . . .
C3_10 C1_10 C2_10 F2_10 -50(2) . . . .
C4_10 C1_10 C2_10 F2_10 72.2(19) . . . .
O1_10 C1_10 C2_10 F1_10 70.4(16) . . . .
C3_10 C1_10 C2_10 F1_10 -168.7(14) . . . .
C4_10 C1_10 C2_10 F1_10 -46.7(16) . . . .
O1_10 C1_10 C3_10 F5_10 112.0(16) . . . .
C2_10 C1_10 C3_10 F5_10 -11(2) . . . .
C4_10 C1_10 C3_10 F5_10 -132.7(14) . . . .
O1_10 C1_10 C3_10 F6_10 -124.0(16) . . . .
C2_10 C1_10 C3_10 F6_10 112.6(17) . . . .
C4_10 C1_10 C3_10 F6_10 -8.7(18) . . . .
O1_10 C1_10 C3_10 F4_10 -4.8(19) . . . .
C2_10 C1_10 C3_10 F4_10 -128.2(16) . . . .
C4_10 C1_10 C3_10 F4_10 110.5(16) . . . .
O1_10 C1_10 C4_10 F9_10 -30.1(18) . . . .
C2_10 C1_10 C4_10 F9_10 84.9(16) . . . .
C3_10 C1_10 C4_10 F9_10 -139.1(15) . . . .
O1_10 C1_10 C4_10 F8_10 -152.7(16) . . . .
C2_10 C1_10 C4_10 F8_10 -37.7(18) . . . .
C3_10 C1_10 C4_10 F8_10 98.3(16) . . . .
O1_10 C1_10 C4_10 F7_10 84.8(17) . . . .
C2_10 C1_10 C4_10 F7_10 -160.2(14) . . . .
C3_10 C1_10 C4_10 F7_10 -24.2(16) . . . .
O1_13 Al3 O1_25 C1_25 -96(4) . . . .
O1_42 Al3 O1_25 C1_25 143(4) . . . .
O1_24 Al3 O1_25 C1_25 25(5) . . . .
Al3 O1_25 C1_25 C2_25 -42(5) . . . .
Al3 O1_25 C1_25 C4_25 -165(4) . . . .
Al3 O1_25 C1_25 C3_25 94(4) . . . .
O1_25 C1_25 C2_25 F2_25 -165.1(17) . . . .
C4_25 C1_25 C2_25 F2_25 -41.1(19) . . . .
C3_25 C1_25 C2_25 F2_25 66.2(19) . . . .
O1_25 C1_25 C2_25 F3_25 67(2) . . . .
C4_25 C1_25 C2_25 F3_25 -168.8(14) . . . .
C3_25 C1_25 C2_25 F3_25 -61.5(19) . . . .
O1_25 C1_25 C2_25 F1_25 -50.8(19) . . . .
C4_25 C1_25 C2_25 F1_25 73.1(16) . . . .
C3_25 C1_25 C2_25 F1_25 -179.6(13) . . . .
O1_25 C1_25 C3_25 F5_25 -75.3(18) . . . .
C2_25 C1_25 C3_25 F5_25 52.6(18) . . . .
C4_25 C1_25 C3_25 F5_25 169.7(14) . . . .
O1_25 C1_25 C3_25 F4_25 42.6(19) . . . .
C2_25 C1_25 C3_25 F4_25 170.4(14) . . . .
C4_25 C1_25 C3_25 F4_25 -72.5(15) . . . .
O1_25 C1_25 C3_25 F6_25 165.9(16) . . . .
C2_25 C1_25 C3_25 F6_25 -66.3(19) . . . .
C4_25 C1_25 C3_25 F6_25 50.9(16) . . . .
F5_25 C3_25 F6_25 F8_25 -145.1(15) . . . .
F4_25 C3_25 F6_25 F8_25 97.8(15) . . . .
C1_25 C3_25 F6_25 F8_25 -28.7(16) . . . .
O1_25 C1_25 C4_25 F9_25 76.8(19) . . . .
C2_25 C1_25 C4_25 F9_25 -44.2(19) . . . .
C3_25 C1_25 C4_25 F9_25 -170.7(15) . . . .
O1_25 C1_25 C4_25 F8_25 -161.3(15) . . . .
C2_25 C1_25 C4_25 F8_25 77.7(16) . . . .
C3_25 C1_25 C4_25 F8_25 -48.7(14) . . . .
O1_25 C1_25 C4_25 F7_25 -48.8(17) . . . .
C2_25 C1_25 C4_25 F7_25 -169.8(14) . . . .
C3_25 C1_25 C4_25 F7_25 63.7(14) . . . .
F9_25 C4_25 F8_25 F6_25 158.5(15) . . . .
F7_25 C4_25 F8_25 F6_25 -73.0(17) . . . .
C1_25 C4_25 F8_25 F6_25 37.1(16) . . . .
C3_25 F6_25 F8_25 C4_25 -6.6(17) . . . .
O1_13 Al3 O1_11 C1_11 65(3) . . . .
O1_12 Al3 O1_11 C1_11 -180(3) . . . .
O1_10 Al3 O1_11 C1_11 -61(3) . . . .
Al3 O1_11 C1_11 C3_11 -153(2) . . . .
Al3 O1_11 C1_11 C2_11 85(3) . . . .
Al3 O1_11 C1_11 C4_11 -34(3) . . . .
O1_11 C1_11 C2_11 F2_11 163.3(14) . . . .
C3_11 C1_11 C2_11 F2_11 46.9(16) . . . .
C4_11 C1_11 C2_11 F2_11 -78.0(14) . . . .
O1_11 C1_11 C2_11 F1_11 -77.6(16) . . . .
C3_11 C1_11 C2_11 F1_11 166.0(13) . . . .
C4_11 C1_11 C2_11 F1_11 41.1(16) . . . .
O1_11 C1_11 C2_11 F3_11 42.3(17) . . . .
C3_11 C1_11 C2_11 F3_11 -74.1(16) . . . .
C4_11 C1_11 C2_11 F3_11 161.0(13) . . . .
O1_11 C1_11 C3_11 F4_11 44.3(17) . . . .
C2_11 C1_11 C3_11 F4_11 161.3(13) . . . .
C4_11 C1_11 C3_11 F4_11 -73.9(15) . . . .
O1_11 C1_11 C3_11 F6_11 163.5(15) . . . .
C2_11 C1_11 C3_11 F6_11 -79.5(16) . . . .
C4_11 C1_11 C3_11 F6_11 45.3(16) . . . .
O1_11 C1_11 C3_11 F5_11 -73.4(16) . . . .
C2_11 C1_11 C3_11 F5_11 43.7(17) . . . .
C4_11 C1_11 C3_11 F5_11 168.4(13) . . . .
O1_11 C1_11 C4_11 F8_11 164.8(14) . . . .
C3_11 C1_11 C4_11 F8_11 -79.0(15) . . . .
C2_11 C1_11 C4_11 F8_11 47.5(16) . . . .
O1_11 C1_11 C4_11 F7_11 -75.1(16) . . . .
C3_11 C1_11 C4_11 F7_11 41.1(17) . . . .
C2_11 C1_11 C4_11 F7_11 167.6(12) . . . .
O1_11 C1_11 C4_11 F9_11 45.1(17) . . . .
C3_11 C1_11 C4_11 F9_11 161.2(13) . . . .
C2_11 C1_11 C4_11 F9_11 -72.2(15) . . . .
O1_25 Al3 O1_24 C1_24 -144(3) . . . .
O1_13 Al3 O1_24 C1_24 -27(4) . . . .
O1_42 Al3 O1_24 C1_24 91(3) . . . .
Al3 O1_24 C1_24 C4_24 -33(4) . . . .
Al3 O1_24 C1_24 C3_24 -155(3) . . . .
Al3 O1_24 C1_24 C2_24 87(3) . . . .
O1_24 C1_24 C2_24 F1_24 -41.9(18) . . . .
C4_24 C1_24 C2_24 F1_24 82.4(15) . . . .
C3_24 C1_24 C2_24 F1_24 -163.3(14) . . . .
O1_24 C1_24 C2_24 F3_24 75.8(17) . . . .
C4_24 C1_24 C2_24 F3_24 -159.9(13) . . . .
C3_24 C1_24 C2_24 F3_24 -45.6(16) . . . .
O1_24 C1_24 C2_24 F2_24 -162.5(16) . . . .
C4_24 C1_24 C2_24 F2_24 -38.2(16) . . . .
C3_24 C1_24 C2_24 F2_24 76.1(16) . . . .
O1_24 C1_24 C3_24 F5_24 -38.2(19) . . . .
C4_24 C1_24 C3_24 F5_24 -164.1(14) . . . .
C2_24 C1_24 C3_24 F5_24 82.5(16) . . . .
O1_24 C1_24 C3_24 F4_24 78.2(18) . . . .
C4_24 C1_24 C3_24 F4_24 -47.7(16) . . . .
C2_24 C1_24 C3_24 F4_24 -161.1(13) . . . .
O1_24 C1_24 C3_24 F6_24 -161.6(16) . . . .
C4_24 C1_24 C3_24 F6_24 72.5(16) . . . .
C2_24 C1_24 C3_24 F6_24 -40.9(16) . . . .
O1_24 C1_24 C4_24 F7_24 -42.4(19) . . . .
C3_24 C1_24 C4_24 F7_24 82.0(15) . . . .
C2_24 C1_24 C4_24 F7_24 -164.4(13) . . . .
O1_24 C1_24 C4_24 F8_24 -161.8(16) . . . .
C3_24 C1_24 C4_24 F8_24 -37.4(17) . . . .
C2_24 C1_24 C4_24 F8_24 76.2(16) . . . .
O1_24 C1_24 C4_24 F9_24 76.1(19) . . . .
C3_24 C1_24 C4_24 F9_24 -159.5(13) . . . .
C2_24 C1_24 C4_24 F9_24 -45.9(16) . . . .
O1_25 Al3 O1_42 C1_42 -33(4) . . . .
O1_13 Al3 O1_42 C1_42 -150(3) . . . .
O1_24 Al3 O1_42 C1_42 89(3) . . . .
Al3 O1_42 C1_42 C3_42 15(4) . . . .
Al3 O1_42 C1_42 C4_42 136(3) . . . .
Al3 O1_42 C1_42 C2_42 -108(3) . . . .
O1_42 C1_42 C2_42 F3_42 68(2) . . . .
C3_42 C1_42 C2_42 F3_42 -57.0(18) . . . .
C4_42 C1_42 C2_42 F3_42 -173.0(15) . . . .
O1_42 C1_42 C2_42 F2_42 -170.4(18) . . . .
C3_42 C1_42 C2_42 F2_42 64.2(19) . . . .
C4_42 C1_42 C2_42 F2_42 -51.8(19) . . . .
O1_42 C1_42 C2_42 F1_42 -49(2) . . . .
C3_42 C1_42 C2_42 F1_42 -174.6(15) . . . .
C4_42 C1_42 C2_42 F1_42 69.4(17) . . . .
O1_42 C1_42 C3_42 F6_42 -169.8(18) . . . .
C4_42 C1_42 C3_42 F6_42 69.2(19) . . . .
C2_42 C1_42 C3_42 F6_42 -44.2(19) . . . .
O1_42 C1_42 C3_42 F5_42 -51(2) . . . .
C4_42 C1_42 C3_42 F5_42 -171.9(17) . . . .
C2_42 C1_42 C3_42 F5_42 74.8(19) . . . .
O1_42 C1_42 C3_42 F4_42 67(2) . . . .
C4_42 C1_42 C3_42 F4_42 -54.0(18) . . . .
C2_42 C1_42 C3_42 F4_42 -167.3(15) . . . .
O1_42 C1_42 C4_42 F7_42 -73(2) . . . .
C3_42 C1_42 C4_42 F7_42 49.6(18) . . . .
C2_42 C1_42 C4_42 F7_42 166.2(16) . . . .
O1_42 C1_42 C4_42 F9_42 48(2) . . . .
C3_42 C1_42 C4_42 F9_42 171.0(16) . . . .
C2_42 C1_42 C4_42 F9_42 -72.4(19) . . . .
O1_42 C1_42 C4_42 F8_42 168.6(17) . . . .
C3_42 C1_42 C4_42 F8_42 -68.7(17) . . . .
C2_42 C1_42 C4_42 F8_42 47.8(17) . . . .
O1_11 Al3 O1_12 C1_12 31(3) . . . .
O1_13 Al3 O1_12 C1_12 147(2) . . . .
O1_10 Al3 O1_12 C1_12 -87(2) . . . .
Al3 O1_12 C1_12 C2_12 71(3) . . . .
Al3 O1_12 C1_12 C3_12 -169(2) . . . .
Al3 O1_12 C1_12 C4_12 -50(3) . . . .
O1_12 C1_12 C2_12 F2_12 -166.7(14) . . . .
C3_12 C1_12 C2_12 F2_12 77.2(15) . . . .
C4_12 C1_12 C2_12 F2_12 -46.7(16) . . . .
O1_12 C1_12 C2_12 F1_12 -46.5(18) . . . .
C3_12 C1_12 C2_12 F1_12 -162.5(14) . . . .
C4_12 C1_12 C2_12 F1_12 73.6(16) . . . .
O1_12 C1_12 C2_12 F3_12 74.3(16) . . . .
C3_12 C1_12 C2_12 F3_12 -41.8(16) . . . .
C4_12 C1_12 C2_12 F3_12 -165.7(12) . . . .
O1_12 C1_12 C3_12 F4_12 92.8(15) . . . .
C2_12 C1_12 C3_12 F4_12 -147.6(13) . . . .
C4_12 C1_12 C3_12 F4_12 -24.1(16) . . . .
O1_12 C1_12 C3_12 F6_12 -146.0(15) . . . .
C2_12 C1_12 C3_12 F6_12 -26.4(18) . . . .
C4_12 C1_12 C3_12 F6_12 97.1(15) . . . .
O1_12 C1_12 C3_12 F5_12 -24.4(16) . . . .
C2_12 C1_12 C3_12 F5_12 95.3(15) . . . .
C4_12 C1_12 C3_12 F5_12 -141.2(13) . . . .
O1_12 C1_12 C4_12 F7_12 -40.8(16) . . . .
C2_12 C1_12 C4_12 F7_12 -162.3(12) . . . .
C3_12 C1_12 C4_12 F7_12 74.0(15) . . . .
O1_12 C1_12 C4_12 F9_12 81.6(16) . . . .
C2_12 C1_12 C4_12 F9_12 -40.0(16) . . . .
C3_12 C1_12 C4_12 F9_12 -163.7(13) . . . .
O1_12 C1_12 C4_12 F8_12 -159.7(14) . . . .
C2_12 C1_12 C4_12 F8_12 78.8(15) . . . .
C3_12 C1_12 C4_12 F8_12 -44.9(16) . . . .
O1_11 Al3 O1_13 C1_13 123(3) . . . .
O1_25 Al3 O1_13 C1_13 -105(3) . . . .
O1_12 Al3 O1_13 C1_13 4(3) . . . .
O1_10 Al3 O1_13 C1_13 -116(3) . . . .
O1_42 Al3 O1_13 C1_13 20(3) . . . .
O1_24 Al3 O1_13 C1_13 135(2) . . . .
Al3 O1_13 C1_13 C2_13 -57(3) . . . .
Al3 O1_13 C1_13 C4_13 -179(2) . . . .
Al3 O1_13 C1_13 C3_13 62(3) . . . .
O1_13 C1_13 C2_13 F3_13 75.6(13) . . . .
C4_13 C1_13 C2_13 F3_13 -163.0(10) . . . .
C3_13 C1_13 C2_13 F3_13 -44.4(12) . . . .
O1_13 C1_13 C2_13 F1_13 -41.9(13) . . . .
C4_13 C1_13 C2_13 F1_13 79.6(11) . . . .
C3_13 C1_13 C2_13 F1_13 -161.8(9) . . . .
O1_13 C1_13 C2_13 F2_13 -160.8(11) . . . .
C4_13 C1_13 C2_13 F2_13 -39.3(14) . . . .
C3_13 C1_13 C2_13 F2_13 79.2(12) . . . .
O1_13 C1_13 C3_13 F6_13 -164.7(10) . . . .
C2_13 C1_13 C3_13 F6_13 -43.3(12) . . . .
C4_13 C1_13 C3_13 F6_13 75.6(12) . . . .
O1_13 C1_13 C3_13 F5_13 -45.0(13) . . . .
C2_13 C1_13 C3_13 F5_13 76.4(12) . . . .
C4_13 C1_13 C3_13 F5_13 -164.7(11) . . . .
O1_13 C1_13 C3_13 F4_13 73.4(12) . . . .
C2_13 C1_13 C3_13 F4_13 -165.2(9) . . . .
C4_13 C1_13 C3_13 F4_13 -46.3(12) . . . .
O1_13 C1_13 C4_13 F7_13 -44.3(15) . . . .
C2_13 C1_13 C4_13 F7_13 -167.0(12) . . . .
C3_13 C1_13 C4_13 F7_13 75.3(14) . . . .
O1_13 C1_13 C4_13 F9_13 77.7(13) . . . .
C2_13 C1_13 C4_13 F9_13 -45.1(13) . . . .
C3_13 C1_13 C4_13 F9_13 -162.8(11) . . . .
O1_13 C1_13 C4_13 F8_13 -163.6(12) . . . .
C2_13 C1_13 C4_13 F8_13 73.7(14) . . . .
C3_13 C1_13 C4_13 F8_13 -44.0(14) . . . .
O1_15 Al4 O1_14 C1_14 89(3) . . . .
O1_17 Al4 O1_14 C1_14 -32(3) . . . .
O1_16 Al4 O1_14 C1_14 -155(3) . . . .
Al4 O1_14 C1_14 C4_14 -178(2) . . . .
Al4 O1_14 C1_14 C2_14 -60(3) . . . .
Al4 O1_14 C1_14 C3_14 60(3) . . . .
O1_14 C1_14 C2_14 F3_14 42.8(17) . . . .
C4_14 C1_14 C2_14 F3_14 160.1(15) . . . .
C3_14 C1_14 C2_14 F3_14 -79.0(17) . . . .
O1_14 C1_14 C2_14 F1_14 -71.9(17) . . . .
C4_14 C1_14 C2_14 F1_14 45.3(19) . . . .
C3_14 C1_14 C2_14 F1_14 166.3(15) . . . .
O1_14 C1_14 C2_14 F2_14 164.8(16) . . . .
C4_14 C1_14 C2_14 F2_14 -77.9(18) . . . .
C3_14 C1_14 C2_14 F2_14 43.0(18) . . . .
O1_14 C1_14 C3_14 F4_14 39.5(18) . . . .
C4_14 C1_14 C3_14 F4_14 -79.9(17) . . . .
C2_14 C1_14 C3_14 F4_14 160.0(14) . . . .
O1_14 C1_14 C3_14 F5_14 -80.7(17) . . . .
C4_14 C1_14 C3_14 F5_14 159.9(14) . . . .
C2_14 C1_14 C3_14 F5_14 39.8(18) . . . .
O1_14 C1_14 C3_14 F6_14 159.2(16) . . . .
C4_14 C1_14 C3_14 F6_14 39.8(18) . . . .
C2_14 C1_14 C3_14 F6_14 -80.3(16) . . . .
O1_14 C1_14 C4_14 F7_14 -76.8(17) . . . .
C2_14 C1_14 C4_14 F7_14 164.5(15) . . . .
C3_14 C1_14 C4_14 F7_14 45.2(19) . . . .
O1_14 C1_14 C4_14 F9_14 42.1(18) . . . .
C2_14 C1_14 C4_14 F9_14 -76.5(18) . . . .
C3_14 C1_14 C4_14 F9_14 164.1(15) . . . .
O1_14 C1_14 C4_14 F8_14 164.0(15) . . . .
C2_14 C1_14 C4_14 F8_14 45.4(18) . . . .
C3_14 C1_14 C4_14 F8_14 -74.0(17) . . . .
O1_15 Al4 O1_48 C1_48 52(5) . . . .
O1_17 Al4 O1_48 C1_48 -66(5) . . . .
O1_16 Al4 O1_48 C1_48 174(5) . . . .
Al4 O1_48 C1_48 C3_48 -98(5) . . . .
Al4 O1_48 C1_48 C4_48 24(5) . . . .
Al4 O1_48 C1_48 C2_48 142(5) . . . .
O1_48 C1_48 C2_48 F3_48 74(2) . . . .
C3_48 C1_48 C2_48 F3_48 -45(2) . . . .
C4_48 C1_48 C2_48 F3_48 -166(2) . . . .
O1_48 C1_48 C2_48 F2_48 -161.7(19) . . . .
C3_48 C1_48 C2_48 F2_48 79(2) . . . .
C4_48 C1_48 C2_48 F2_48 -42(2) . . . .
O1_48 C1_48 C2_48 F1_48 -48(2) . . . .
C3_48 C1_48 C2_48 F1_48 -167.1(18) . . . .
C4_48 C1_48 C2_48 F1_48 72(2) . . . .
O1_48 C1_48 C3_48 F4_48 81(2) . . . .
C4_48 C1_48 C3_48 F4_48 -41(2) . . . .
C2_48 C1_48 C3_48 F4_48 -159.5(19) . . . .
O1_48 C1_48 C3_48 F5_48 -41(2) . . . .
C4_48 C1_48 C3_48 F5_48 -163.6(19) . . . .
C2_48 C1_48 C3_48 F5_48 78(2) . . . .
O1_48 C1_48 C3_48 F6_48 -160.6(19) . . . .
C4_48 C1_48 C3_48 F6_48 77(2) . . . .
C2_48 C1_48 C3_48 F6_48 -41(2) . . . .
O1_48 C1_48 C4_48 F7_48 -43(2) . . . .
C3_48 C1_48 C4_48 F7_48 78(2) . . . .
C2_48 C1_48 C4_48 F7_48 -162.4(19) . . . .
O1_48 C1_48 C4_48 F9_48 77(2) . . . .
C3_48 C1_48 C4_48 F9_48 -162.2(18) . . . .
C2_48 C1_48 C4_48 F9_48 -43(2) . . . .
O1_48 C1_48 C4_48 F8_48 -165(2) . . . .
C3_48 C1_48 C4_48 F8_48 -44(2) . . . .
C2_48 C1_48 C4_48 F8_48 76(2) . . . .
O1_17 Al4 O1_15 C1_15 -155.4(17) . . . .
O1_14 Al4 O1_15 C1_15 84.0(19) . . . .
O1_48 Al4 O1_15 C1_15 92(2) . . . .
O1_16 Al4 O1_15 C1_15 -32.7(19) . . . .
Al4 O1_15 C1_15 C3_15 91.9(19) . . . .
Al4 O1_15 C1_15 C4_15 -143.0(15) . . . .
Al4 O1_15 C1_15 C2_15 -24(2) . . . .
O1_15 C1_15 C2_15 F1_15 -38.9(14) . . . .
C3_15 C1_15 C2_15 F1_15 -158.4(11) . . . .
C4_15 C1_15 C2_15 F1_15 81.0(13) . . . .
O1_15 C1_15 C2_15 F2_15 -158.7(11) . . . .
C3_15 C1_15 C2_15 F2_15 81.8(13) . . . .
C4_15 C1_15 C2_15 F2_15 -38.8(14) . . . .
O1_15 C1_15 C2_15 F3_15 82.6(12) . . . .
C3_15 C1_15 C2_15 F3_15 -37.0(13) . . . .
C4_15 C1_15 C2_15 F3_15 -157.5(10) . . . .
O1_15 C1_15 C3_15 F5_15 -37.1(15) . . . .
C4_15 C1_15 C3_15 F5_15 -160.8(12) . . . .
C2_15 C1_15 C3_15 F5_15 81.8(13) . . . .
O1_15 C1_15 C3_15 F6_15 -164.9(12) . . . .
C4_15 C1_15 C3_15 F6_15 71.3(15) . . . .
C2_15 C1_15 C3_15 F6_15 -46.1(14) . . . .
O1_15 C1_15 C3_15 F4_15 81.6(13) . . . .
C4_15 C1_15 C3_15 F4_15 -42.1(14) . . . .
C2_15 C1_15 C3_15 F4_15 -159.5(10) . . . .
O1_15 C1_15 C4_15 F9_15 71.9(14) . . . .
C3_15 C1_15 C4_15 F9_15 -164.0(11) . . . .
C2_15 C1_15 C4_15 F9_15 -47.9(14) . . . .
O1_15 C1_15 C4_15 F8_15 -172.8(11) . . . .
C3_15 C1_15 C4_15 F8_15 -48.6(15) . . . .
C2_15 C1_15 C4_15 F8_15 67.4(13) . . . .
O1_15 C1_15 C4_15 F7_15 -47.0(13) . . . .
C3_15 C1_15 C4_15 F7_15 77.1(13) . . . .
C2_15 C1_15 C4_15 F7_15 -166.8(10) . . . .
O1_15 Al4 O1_16 C1_16 153.1(15) . . . .
O1_17 Al4 O1_16 C1_16 -85.7(16) . . . .
O1_14 Al4 O1_16 C1_16 35.8(18) . . . .
O1_48 Al4 O1_16 C1_16 27(2) . . . .
Al4 O1_16 C1_16 C3_16 60.7(17) . . . .
Al4 O1_16 C1_16 C2_16 -59.9(18) . . . .
Al4 O1_16 C1_16 C4_16 -179.8(12) . . . .
O1_16 C1_16 C2_16 F3_16 76.6(12) . . . .
C3_16 C1_16 C2_16 F3_16 -45.4(12) . . . .
C4_16 C1_16 C2_16 F3_16 -165.0(9) . . . .
O1_16 C1_16 C2_16 F1_16 -42.3(13) . . . .
C3_16 C1_16 C2_16 F1_16 -164.3(10) . . . .
C4_16 C1_16 C2_16 F1_16 76.1(12) . . . .
O1_16 C1_16 C2_16 F2_16 -162.1(10) . . . .
C3_16 C1_16 C2_16 F2_16 76.0(12) . . . .
C4_16 C1_16 C2_16 F2_16 -43.6(13) . . . .
O1_16 C1_16 C3_16 F5_16 -43.8(12) . . . .
C2_16 C1_16 C3_16 F5_16 77.5(11) . . . .
C4_16 C1_16 C3_16 F5_16 -162.4(9) . . . .
O1_16 C1_16 C3_16 F6_16 -164.4(9) . . . .
C2_16 C1_16 C3_16 F6_16 -43.1(12) . . . .
C4_16 C1_16 C3_16 F6_16 77.0(11) . . . .
O1_16 C1_16 C3_16 F4_16 75.3(11) . . . .
C2_16 C1_16 C3_16 F4_16 -163.4(9) . . . .
C4_16 C1_16 C3_16 F4_16 -43.3(12) . . . .
O1_16 C1_16 C4_16 F8_16 -164.3(9) . . . .
C3_16 C1_16 C4_16 F8_16 -43.6(13) . . . .
C2_16 C1_16 C4_16 F8_16 75.8(12) . . . .
O1_16 C1_16 C4_16 F7_16 -42.3(12) . . . .
C3_16 C1_16 C4_16 F7_16 78.4(12) . . . .
C2_16 C1_16 C4_16 F7_16 -162.2(9) . . . .
O1_16 C1_16 C4_16 F9_16 76.5(11) . . . .
C3_16 C1_16 C4_16 F9_16 -162.8(10) . . . .
C2_16 C1_16 C4_16 F9_16 -43.4(13) . . . .
O1_15 Al4 O1_17 C1_17 40.8(17) . . . .
O1_14 Al4 O1_17 C1_17 160.7(17) . . . .
O1_48 Al4 O1_17 C1_17 162.0(19) . . . .
O1_16 Al4 O1_17 C1_17 -78.9(17) . . . .
Al4 O1_17 C1_17 C2_17 -171.4(13) . . . .
Al4 O1_17 C1_17 C4_17 65.5(19) . . . .
Al4 O1_17 C1_17 C3_17 -52.0(19) . . . .
O1_17 C1_17 C2_17 F2_17 -161.6(11) . . . .
C4_17 C1_17 C2_17 F2_17 -39.9(14) . . . .
C3_17 C1_17 C2_17 F2_17 80.0(13) . . . .
O1_17 C1_17 C2_17 F1_17 -45.9(12) . . . .
C4_17 C1_17 C2_17 F1_17 75.7(12) . . . .
C3_17 C1_17 C2_17 F1_17 -164.4(10) . . . .
O1_17 C1_17 C2_17 F3_17 75.5(12) . . . .
C4_17 C1_17 C2_17 F3_17 -162.9(10) . . . .
C3_17 C1_17 C2_17 F3_17 -42.9(13) . . . .
O1_17 C1_17 C3_17 F5_17 -45.1(13) . . . .
C2_17 C1_17 C3_17 F5_17 72.7(13) . . . .
C4_17 C1_17 C3_17 F5_17 -164.3(10) . . . .
O1_17 C1_17 C3_17 F6_17 -162.2(10) . . . .
C2_17 C1_17 C3_17 F6_17 -44.4(13) . . . .
C4_17 C1_17 C3_17 F6_17 78.6(12) . . . .
O1_17 C1_17 C3_17 F4_17 79.8(12) . . . .
C2_17 C1_17 C3_17 F4_17 -162.5(10) . . . .
C4_17 C1_17 C3_17 F4_17 -39.4(13) . . . .
O1_17 C1_17 C4_17 F7_17 -42.7(13) . . . .
C2_17 C1_17 C4_17 F7_17 -162.9(10) . . . .
C3_17 C1_17 C4_17 F7_17 75.5(12) . . . .
O1_17 C1_17 C4_17 F8_17 -169.3(10) . . . .
C2_17 C1_17 C4_17 F8_17 70.5(13) . . . .
C3_17 C1_17 C4_17 F8_17 -51.1(13) . . . .
O1_17 C1_17 C4_17 F9_17 72.9(11) . . . .
C2_17 C1_17 C4_17 F9_17 -47.3(12) . . . .
C3_17 C1_17 C4_17 F9_17 -168.9(9) . . . .
O1_20 Al5 O1_18 C1_18 -167.6(14) . . . .
O1_21 Al5 O1_18 C1_18 -42.3(16) . . . .
O1_19 Al5 O1_18 C1_18 75.8(15) . . . .
Al5 O1_18 C1_18 C3_18 -48.9(18) . . . .
Al5 O1_18 C1_18 C2_18 -168.4(12) . . . .
Al5 O1_18 C1_18 C4_18 70.9(17) . . . .
O1_18 C1_18 C2_18 F3_18 44.2(13) . . . .
C3_18 C1_18 C2_18 F3_18 -76.5(12) . . . .
C4_18 C1_18 C2_18 F3_18 165.6(10) . . . .
O1_18 C1_18 C2_18 F2_18 166.2(10) . . . .
C3_18 C1_18 C2_18 F2_18 45.4(13) . . . .
C4_18 C1_18 C2_18 F2_18 -72.4(12) . . . .
O1_18 C1_18 C2_18 F1_18 -75.8(11) . . . .
C3_18 C1_18 C2_18 F1_18 163.4(9) . . . .
C4_18 C1_18 C2_18 F1_18 45.5(12) . . . .
O1_18 C1_18 C3_18 F4_18 42.7(12) . . . .
C2_18 C1_18 C3_18 F4_18 161.9(10) . . . .
C4_18 C1_18 C3_18 F4_18 -79.0(11) . . . .
O1_18 C1_18 C3_18 F6_18 162.7(10) . . . .
C2_18 C1_18 C3_18 F6_18 -78.2(12) . . . .
C4_18 C1_18 C3_18 F6_18 41.0(13) . . . .
O1_18 C1_18 C3_18 F5_18 -74.4(11) . . . .
C2_18 C1_18 C3_18 F5_18 44.7(12) . . . .
C4_18 C1_18 C3_18 F5_18 163.8(9) . . . .
O1_18 C1_18 C4_18 F9_18 44.7(13) . . . .
C3_18 C1_18 C4_18 F9_18 166.4(10) . . . .
C2_18 C1_18 C4_18 F9_18 -75.0(12) . . . .
O1_18 C1_18 C4_18 F8_18 165.6(10) . . . .
C3_18 C1_18 C4_18 F8_18 -72.7(12) . . . .
C2_18 C1_18 C4_18 F8_18 45.9(13) . . . .
O1_18 C1_18 C4_18 F7_18 -73.7(12) . . . .
C3_18 C1_18 C4_18 F7_18 48.0(12) . . . .
C2_18 C1_18 C4_18 F7_18 166.6(9) . . . .
O1_20 Al5 O1_19 C1_19 -27.9(14) . . . .
O1_18 Al5 O1_19 C1_19 89.4(14) . . . .
O1_21 Al5 O1_19 C1_19 -151.2(13) . . . .
Al5 O1_19 C1_19 C3_19 47.0(16) . . . .
Al5 O1_19 C1_19 C4_19 166.3(11) . . . .
Al5 O1_19 C1_19 C2_19 -75.3(15) . . . .
O1_19 C1_19 C2_19 F2_19 167.7(8) . . . .
C3_19 C1_19 C2_19 F2_19 43.3(11) . . . .
C4_19 C1_19 C2_19 F2_19 -74.9(11) . . . .
O1_19 C1_19 C2_19 F3_19 44.9(11) . . . .
C3_19 C1_19 C2_19 F3_19 -79.5(10) . . . .
C4_19 C1_19 C2_19 F3_19 162.3(8) . . . .
O1_19 C1_19 C2_19 F1_19 -71.7(11) . . . .
C3_19 C1_19 C2_19 F1_19 163.9(8) . . . .
C4_19 C1_19 C2_19 F1_19 45.7(11) . . . .
O1_19 C1_19 C3_19 F4_19 40.1(12) . . . .
C4_19 C1_19 C3_19 F4_19 -78.3(11) . . . .
C2_19 C1_19 C3_19 F4_19 163.5(8) . . . .
O1_19 C1_19 C3_19 F5_19 -79.4(10) . . . .
C4_19 C1_19 C3_19 F5_19 162.2(8) . . . .
C2_19 C1_19 C3_19 F5_19 44.0(11) . . . .
O1_19 C1_19 C3_19 F6_19 161.6(8) . . . .
C4_19 C1_19 C3_19 F6_19 43.2(11) . . . .
C2_19 C1_19 C3_19 F6_19 -74.9(10) . . . .
O1_19 C1_19 C4_19 F9_19 39.2(11) . . . .
C3_19 C1_19 C4_19 F9_19 161.0(8) . . . .
C2_19 C1_19 C4_19 F9_19 -80.7(10) . . . .
O1_19 C1_19 C4_19 F7_19 -81.2(10) . . . .
C3_19 C1_19 C4_19 F7_19 40.6(11) . . . .
C2_19 C1_19 C4_19 F7_19 158.9(8) . . . .
O1_19 C1_19 C4_19 F8_19 159.3(8) . . . .
C3_19 C1_19 C4_19 F8_19 -78.8(10) . . . .
C2_19 C1_19 C4_19 F8_19 39.4(11) . . . .
O1_18 Al5 O1_20 C1_20 55.5(14) . . . .
O1_21 Al5 O1_20 C1_20 -66.4(14) . . . .
O1_19 Al5 O1_20 C1_20 175.3(12) . . . .
Al5 O1_20 C1_20 C3_20 -135.5(12) . . . .
Al5 O1_20 C1_20 C2_20 -14.4(17) . . . .
Al5 O1_20 C1_20 C4_20 106.1(13) . . . .
O1_20 C1_20 C2_20 F1_20 43.8(11) . . . .
C3_20 C1_20 C2_20 F1_20 162.1(9) . . . .
C4_20 C1_20 C2_20 F1_20 -74.1(11) . . . .
O1_20 C1_20 C2_20 F3_20 -75.9(10) . . . .
C3_20 C1_20 C2_20 F3_20 42.4(12) . . . .
C4_20 C1_20 C2_20 F3_20 166.2(9) . . . .
O1_20 C1_20 C2_20 F2_20 165.3(9) . . . .
C3_20 C1_20 C2_20 F2_20 -76.4(11) . . . .
C4_20 C1_20 C2_20 F2_20 47.4(12) . . . .
O1_20 C1_20 C3_20 F5_20 44.4(11) . . . .
C2_20 C1_20 C3_20 F5_20 -75.5(11) . . . .
C4_20 C1_20 C3_20 F5_20 160.4(9) . . . .
O1_20 C1_20 C3_20 F6_20 165.4(8) . . . .
C2_20 C1_20 C3_20 F6_20 45.5(11) . . . .
C4_20 C1_20 C3_20 F6_20 -78.6(11) . . . .
O1_20 C1_20 C3_20 F4_20 -75.4(10) . . . .
C2_20 C1_20 C3_20 F4_20 164.6(9) . . . .
C4_20 C1_20 C3_20 F4_20 40.6(12) . . . .
O1_20 C1_20 C4_20 F9_20 -79.1(11) . . . .
C3_20 C1_20 C4_20 F9_20 164.9(9) . . . .
C2_20 C1_20 C4_20 F9_20 40.6(12) . . . .
O1_20 C1_20 C4_20 F7_20 43.0(11) . . . .
C3_20 C1_20 C4_20 F7_20 -73.0(11) . . . .
C2_20 C1_20 C4_20 F7_20 162.6(9) . . . .
O1_20 C1_20 C4_20 F8_20 162.8(9) . . . .
C3_20 C1_20 C4_20 F8_20 46.8(12) . . . .
C2_20 C1_20 C4_20 F8_20 -77.6(11) . . . .
O1_20 Al5 O1_21 C1_21 -85.5(16) . . . .
O1_18 Al5 O1_21 C1_21 153.4(15) . . . .
O1_19 Al5 O1_21 C1_21 32.5(17) . . . .
Al5 O1_21 C1_21 C3_21 144.8(14) . . . .
Al5 O1_21 C1_21 C2_21 23(2) . . . .
Al5 O1_21 C1_21 C4_21 -96.7(16) . . . .
O1_21 C1_21 C2_21 F3_21 38.7(13) . . . .
C3_21 C1_21 C2_21 F3_21 -81.7(12) . . . .
C4_21 C1_21 C2_21 F3_21 158.3(10) . . . .
O1_21 C1_21 C2_21 F2_21 161.3(10) . . . .
C3_21 C1_21 C2_21 F2_21 41.0(13) . . . .
C4_21 C1_21 C2_21 F2_21 -79.1(12) . . . .
O1_21 C1_21 C2_21 F1_21 -80.4(11) . . . .
C3_21 C1_21 C2_21 F1_21 159.3(9) . . . .
C4_21 C1_21 C2_21 F1_21 39.3(12) . . . .
O1_21 C1_21 C3_21 F4_21 41.4(13) . . . .
C2_21 C1_21 C3_21 F4_21 163.0(10) . . . .
C4_21 C1_21 C3_21 F4_21 -76.9(13) . . . .
O1_21 C1_21 C3_21 F6_21 165.9(10) . . . .
C2_21 C1_21 C3_21 F6_21 -72.6(13) . . . .
C4_21 C1_21 C3_21 F6_21 47.6(14) . . . .
O1_21 C1_21 C3_21 F5_21 -75.3(12) . . . .
C2_21 C1_21 C3_21 F5_21 46.3(13) . . . .
C4_21 C1_21 C3_21 F5_21 166.5(10) . . . .
O1_21 C1_21 C4_21 F9_21 42.9(13) . . . .
C3_21 C1_21 C4_21 F9_21 161.0(10) . . . .
C2_21 C1_21 C4_21 F9_21 -77.9(12) . . . .
O1_21 C1_21 C4_21 F8_21 166.1(9) . . . .
C3_21 C1_21 C4_21 F8_21 -75.8(12) . . . .
C2_21 C1_21 C4_21 F8_21 45.3(12) . . . .
O1_21 C1_21 C4_21 F7_21 -74.4(12) . . . .
C3_21 C1_21 C4_21 F7_21 43.8(13) . . . .
C2_21 C1_21 C4_21 F7_21 164.8(10) . . . .
O1_27 Al6 O1_26 C1_26 160.9(14) . . . .
O1_28 Al6 O1_26 C1_26 41.3(16) . . . .
O1_29 Al6 O1_26 C1_26 -81.0(15) . . . .
Al6 O1_26 C1_26 C4_26 -169.5(12) . . . .
Al6 O1_26 C1_26 C3_26 -50.1(18) . . . .
Al6 O1_26 C1_26 C2_26 70.4(17) . . . .
O1_26 C1_26 C2_26 F3_26 -164.7(10) . . . .
C4_26 C1_26 C2_26 F3_26 75.7(12) . . . .
C3_26 C1_26 C2_26 F3_26 -43.8(13) . . . .
O1_26 C1_26 C2_26 F2_26 -45.7(13) . . . .
C4_26 C1_26 C2_26 F2_26 -165.2(9) . . . .
C3_26 C1_26 C2_26 F2_26 75.2(11) . . . .
O1_26 C1_26 C2_26 F1_26 74.6(11) . . . .
C4_26 C1_26 C2_26 F1_26 -44.9(12) . . . .
C3_26 C1_26 C2_26 F1_26 -164.4(9) . . . .
O1_26 C1_26 C3_26 F5_26 -42.5(11) . . . .
C4_26 C1_26 C3_26 F5_26 76.8(10) . . . .
C2_26 C1_26 C3_26 F5_26 -163.3(9) . . . .
O1_26 C1_26 C3_26 F4_26 -162.1(9) . . . .
C4_26 C1_26 C3_26 F4_26 -42.8(12) . . . .
C2_26 C1_26 C3_26 F4_26 77.1(11) . . . .
O1_26 C1_26 C3_26 F6_26 76.6(11) . . . .
C4_26 C1_26 C3_26 F6_26 -164.1(8) . . . .
C2_26 C1_26 C3_26 F6_26 -44.2(11) . . . .
O1_26 C1_26 C4_26 F8_26 -161.3(9) . . . .
C3_26 C1_26 C4_26 F8_26 78.6(11) . . . .
C2_26 C1_26 C4_26 F8_26 -41.1(12) . . . .
O1_26 C1_26 C4_26 F9_26 74.9(11) . . . .
C3_26 C1_26 C4_26 F9_26 -45.3(11) . . . .
C2_26 C1_26 C4_26 F9_26 -165.0(9) . . . .
O1_26 C1_26 C4_26 F7_26 -43.2(11) . . . .
C3_26 C1_26 C4_26 F7_26 -163.3(9) . . . .
C2_26 C1_26 C4_26 F7_26 77.0(11) . . . .
O1_26 Al6 O1_27 C1_27 -36.0(17) . . . .
O1_28 Al6 O1_27 C1_27 81.3(16) . . . .
O1_29 Al6 O1_27 C1_27 -157.8(15) . . . .
Al6 O1_27 C1_27 C3_27 -27(2) . . . .
Al6 O1_27 C1_27 C4_27 -146.4(13) . . . .
Al6 O1_27 C1_27 C2_27 94.2(16) . . . .
O1_27 C1_27 C2_27 F2_27 -46.6(11) . . . .
C3_27 C1_27 C2_27 F2_27 76.6(10) . . . .
C4_27 C1_27 C2_27 F2_27 -165.2(8) . . . .
O1_27 C1_27 C2_27 F1_27 71.6(11) . . . .
C3_27 C1_27 C2_27 F1_27 -165.2(8) . . . .
C4_27 C1_27 C2_27 F1_27 -46.9(11) . . . .
O1_27 C1_27 C2_27 F3_27 -167.5(9) . . . .
C3_27 C1_27 C2_27 F3_27 -44.3(11) . . . .
C4_27 C1_27 C2_27 F3_27 74.0(10) . . . .
O1_27 C1_27 C3_27 F5_27 78.8(11) . . . .
C4_27 C1_27 C3_27 F5_27 -162.3(8) . . . .
C2_27 C1_27 C3_27 F5_27 -43.8(11) . . . .
O1_27 C1_27 C3_27 F4_27 -40.6(12) . . . .
C4_27 C1_27 C3_27 F4_27 78.3(10) . . . .
C2_27 C1_27 C3_27 F4_27 -163.2(8) . . . .
O1_27 C1_27 C3_27 F6_27 -159.1(9) . . . .
C4_27 C1_27 C3_27 F6_27 -40.2(11) . . . .
C2_27 C1_27 C3_27 F6_27 78.3(10) . . . .
O1_27 C1_27 C4_27 F8_27 77.9(10) . . . .
C3_27 C1_27 C4_27 F8_27 -43.7(11) . . . .
C2_27 C1_27 C4_27 F8_27 -161.6(8) . . . .
O1_27 C1_27 C4_27 F9_27 -159.8(9) . . . .
C3_27 C1_27 C4_27 F9_27 78.6(10) . . . .
C2_27 C1_27 C4_27 F9_27 -39.3(11) . . . .
O1_27 C1_27 C4_27 F7_27 -41.8(11) . . . .
C3_27 C1_27 C4_27 F7_27 -163.3(8) . . . .
C2_27 C1_27 C4_27 F7_27 78.8(10) . . . .
O1_26 Al6 O1_28 C1_28 -164.6(12) . . . .
O1_27 Al6 O1_28 C1_28 78.8(14) . . . .
O1_29 Al6 O1_28 C1_28 -40.4(14) . . . .
Al6 O1_28 C1_28 C3_28 65.3(16) . . . .
Al6 O1_28 C1_28 C2_28 -57.5(16) . . . .
Al6 O1_28 C1_28 C4_28 -175.5(10) . . . .
O1_28 C1_28 C2_28 F2_28 46.7(11) . . . .
C3_28 C1_28 C2_28 F2_28 -77.2(10) . . . .
C4_28 C1_28 C2_28 F2_28 164.2(9) . . . .
O1_28 C1_28 C2_28 F3_28 166.3(9) . . . .
C3_28 C1_28 C2_28 F3_28 42.4(11) . . . .
C4_28 C1_28 C2_28 F3_28 -76.1(11) . . . .
O1_28 C1_28 C2_28 F1_28 -73.7(11) . . . .
C3_28 C1_28 C2_28 F1_28 162.4(9) . . . .
C4_28 C1_28 C2_28 F1_28 43.9(11) . . . .
O1_28 C1_28 C3_28 F4_28 -78.8(11) . . . .
C2_28 C1_28 C3_28 F4_28 45.4(11) . . . .
C4_28 C1_28 C3_28 F4_28 163.2(9) . . . .
O1_28 C1_28 C3_28 F6_28 39.6(12) . . . .
C2_28 C1_28 C3_28 F6_28 163.9(9) . . . .
C4_28 C1_28 C3_28 F6_28 -78.3(11) . . . .
O1_28 C1_28 C3_28 F5_28 159.8(10) . . . .
C2_28 C1_28 C3_28 F5_28 -76.0(11) . . . .
C4_28 C1_28 C3_28 F5_28 41.8(12) . . . .
O1_28 C1_28 C4_28 F7_28 164.3(9) . . . .
C3_28 C1_28 C4_28 F7_28 -75.1(11) . . . .
C2_28 C1_28 C4_28 F7_28 43.6(11) . . . .
O1_28 C1_28 C4_28 F9_28 44.2(11) . . . .
C3_28 C1_28 C4_28 F9_28 164.9(9) . . . .
C2_28 C1_28 C4_28 F9_28 -76.4(10) . . . .
O1_28 C1_28 C4_28 F8_28 -74.7(11) . . . .
C3_28 C1_28 C4_28 F8_28 45.9(11) . . . .
C2_28 C1_28 C4_28 F8_28 164.7(9) . . . .
O1_26 Al6 O1_29 C1_29 -84.8(15) . . . .
O1_27 Al6 O1_29 C1_29 32.8(15) . . . .
O1_28 Al6 O1_29 C1_29 154.3(14) . . . .
Al6 O1_29 C1_29 C2_29 59.6(17) . . . .
Al6 O1_29 C1_29 C3_29 179.4(11) . . . .
Al6 O1_29 C1_29 C4_29 -60.8(17) . . . .
O1_29 C1_29 C2_29 F1_29 -43.3(13) . . . .
C3_29 C1_29 C2_29 F1_29 -161.8(10) . . . .
C4_29 C1_29 C2_29 F1_29 77.3(11) . . . .
O1_29 C1_29 C2_29 F2_29 76.7(11) . . . .
C3_29 C1_29 C2_29 F2_29 -41.8(12) . . . .
C4_29 C1_29 C2_29 F2_29 -162.7(9) . . . .
O1_29 C1_29 C2_29 F3_29 -162.9(9) . . . .
C3_29 C1_29 C2_29 F3_29 78.6(11) . . . .
C4_29 C1_29 C2_29 F3_29 -42.3(12) . . . .
O1_29 C1_29 C3_29 F4_29 77.2(11) . . . .
C2_29 C1_29 C3_29 F4_29 -163.7(9) . . . .
C4_29 C1_29 C3_29 F4_29 -42.8(12) . . . .
O1_29 C1_29 C3_29 F6_29 -161.6(9) . . . .
C2_29 C1_29 C3_29 F6_29 -42.5(12) . . . .
C4_29 C1_29 C3_29 F6_29 78.4(11) . . . .
O1_29 C1_29 C3_29 F5_29 -44.8(11) . . . .
C2_29 C1_29 C3_29 F5_29 74.3(11) . . . .
C4_29 C1_29 C3_29 F5_29 -164.8(9) . . . .
O1_29 C1_29 C4_29 F8_29 -38.5(12) . . . .
C2_29 C1_29 C4_29 F8_29 -158.4(9) . . . .
C3_29 C1_29 C4_29 F8_29 80.4(11) . . . .
O1_29 C1_29 C4_29 F7_29 -157.7(10) . . . .
C2_29 C1_29 C4_29 F7_29 82.4(11) . . . .
C3_29 C1_29 C4_29 F7_29 -38.8(12) . . . .
O1_29 C1_29 C4_29 F9_29 81.6(11) . . . .
C2_29 C1_29 C4_29 F9_29 -38.4(11) . . . .
C3_29 C1_29 C4_29 F9_29 -159.5(9) . . . .
O1_33 Al7 O1_30 C1_30 -35.7(15) . . . .
O1_31 Al7 O1_30 C1_30 -160.3(13) . . . .
O1_32 Al7 O1_30 C1_30 81.0(14) . . . .
Al7 O1_30 C1_30 C4_30 -151.9(11) . . . .
Al7 O1_30 C1_30 C2_30 -31.4(17) . . . .
Al7 O1_30 C1_30 C3_30 90.1(15) . . . .
O1_30 C1_30 C2_30 F1_30 -39.9(12) . . . .
C4_30 C1_30 C2_30 F1_30 78.4(11) . . . .
C3_30 C1_30 C2_30 F1_30 -159.9(9) . . . .
O1_30 C1_30 C2_30 F3_30 -160.5(9) . . . .
C4_30 C1_30 C2_30 F3_30 -42.2(12) . . . .
C3_30 C1_30 C2_30 F3_30 79.5(11) . . . .
O1_30 C1_30 C2_30 F2_30 82.0(11) . . . .
C4_30 C1_30 C2_30 F2_30 -159.7(9) . . . .
C3_30 C1_30 C2_30 F2_30 -38.0(12) . . . .
O1_30 C1_30 C3_30 F4_30 -46.7(12) . . . .
C4_30 C1_30 C3_30 F4_30 -162.7(10) . . . .
C2_30 C1_30 C3_30 F4_30 75.4(12) . . . .
O1_30 C1_30 C3_30 F5_30 -167.6(9) . . . .
C4_30 C1_30 C3_30 F5_30 76.4(12) . . . .
C2_30 C1_30 C3_30 F5_30 -45.6(12) . . . .
O1_30 C1_30 C3_30 F6_30 71.9(11) . . . .
C4_30 C1_30 C3_30 F6_30 -44.1(12) . . . .
C2_30 C1_30 C3_30 F6_30 -166.0(9) . . . .
O1_30 C1_30 C4_30 F8_30 -43.6(12) . . . .
C2_30 C1_30 C4_30 F8_30 -164.7(9) . . . .
C3_30 C1_30 C4_30 F8_30 73.2(11) . . . .
O1_30 C1_30 C4_30 F7_30 -164.3(9) . . . .
C2_30 C1_30 C4_30 F7_30 74.6(11) . . . .
C3_30 C1_30 C4_30 F7_30 -47.5(12) . . . .
O1_30 C1_30 C4_30 F9_30 76.6(11) . . . .
C2_30 C1_30 C4_30 F9_30 -44.5(11) . . . .
C3_30 C1_30 C4_30 F9_30 -166.6(9) . . . .
O1_30 Al7 O1_31 C1_31 37.2(16) . . . .
O1_33 Al7 O1_31 C1_31 -83.4(15) . . . .
O1_32 Al7 O1_31 C1_31 159.7(14) . . . .
Al7 O1_31 C1_31 C3_31 -59.4(17) . . . .
Al7 O1_31 C1_31 C4_31 -179.8(11) . . . .
Al7 O1_31 C1_31 C2_31 62.8(17) . . . .
O1_31 C1_31 C2_31 F2_31 -44.9(12) . . . .
C3_31 C1_31 C2_31 F2_31 78.4(11) . . . .
C4_31 C1_31 C2_31 F2_31 -163.1(9) . . . .
O1_31 C1_31 C2_31 F3_31 -166.1(10) . . . .
C3_31 C1_31 C2_31 F3_31 -42.8(12) . . . .
C4_31 C1_31 C2_31 F3_31 75.7(12) . . . .
O1_31 C1_31 C2_31 F1_31 73.3(11) . . . .
C3_31 C1_31 C2_31 F1_31 -163.3(9) . . . .
C4_31 C1_31 C2_31 F1_31 -44.8(12) . . . .
O1_31 C1_31 C3_31 F5_31 79.3(12) . . . .
C4_31 C1_31 C3_31 F5_31 -160.2(9) . . . .
C2_31 C1_31 C3_31 F5_31 -42.3(12) . . . .
O1_31 C1_31 C3_31 F4_31 -40.2(12) . . . .
C4_31 C1_31 C3_31 F4_31 80.3(11) . . . .
C2_31 C1_31 C3_31 F4_31 -161.8(9) . . . .
O1_31 C1_31 C3_31 F6_31 -160.2(10) . . . .
C4_31 C1_31 C3_31 F6_31 -39.8(13) . . . .
C2_31 C1_31 C3_31 F6_31 78.1(12) . . . .
O1_31 C1_31 C4_31 F7_31 -162.1(9) . . . .
C3_31 C1_31 C4_31 F7_31 75.5(12) . . . .
C2_31 C1_31 C4_31 F7_31 -43.9(12) . . . .
O1_31 C1_31 C4_31 F8_31 74.8(11) . . . .
C3_31 C1_31 C4_31 F8_31 -47.6(12) . . . .
C2_31 C1_31 C4_31 F8_31 -167.0(9) . . . .
O1_31 C1_31 C4_31 F9_31 -42.2(12) . . . .
C3_31 C1_31 C4_31 F9_31 -164.6(9) . . . .
C2_31 C1_31 C4_31 F9_31 76.0(11) . . . .
O1_30 Al7 O1_32 C1_32 80.9(13) . . . .
O1_33 Al7 O1_32 C1_32 -162.0(12) . . . .
O1_31 Al7 O1_32 C1_32 -40.2(14) . . . .
Al7 O1_32 C1_32 C4_32 -156.2(10) . . . .
Al7 O1_32 C1_32 C2_32 -34.5(16) . . . .
Al7 O1_32 C1_32 C3_32 83.9(14) . . . .
O1_32 C1_32 C2_32 F1B_32 -33.0(14) . . . .
C4_32 C1_32 C2_32 F1B_32 87.6(13) . . . .
C3_32 C1_32 C2_32 F1B_32 -152.5(12) . . . .
O1_32 C1_32 C2_32 F3_32 166.7(12) . . . .
C4_32 C1_32 C2_32 F3_32 -72.7(14) . . . .
C3_32 C1_32 C2_32 F3_32 47.2(14) . . . .
O1_32 C1_32 C2_32 F3B_32 -162.7(10) . . . .
C4_32 C1_32 C2_32 F3B_32 -42.1(12) . . . .
C3_32 C1_32 C2_32 F3B_32 77.8(11) . . . .
O1_32 C1_32 C2_32 F2_32 34.5(13) . . . .
C4_32 C1_32 C2_32 F2_32 155.1(11) . . . .
C3_32 C1_32 C2_32 F2_32 -85.0(12) . . . .
O1_32 C1_32 C2_32 F2B_32 88.7(10) . . . .
C4_32 C1_32 C2_32 F2B_32 -150.7(9) . . . .
C3_32 C1_32 C2_32 F2B_32 -30.8(10) . . . .
O1_32 C1_32 C2_32 F1_32 -73.7(12) . . . .
C4_32 C1_32 C2_32 F1_32 46.9(12) . . . .
C3_32 C1_32 C2_32 F1_32 166.8(10) . . . .
O1_32 C1_32 C3_32 F4B_32 -24.9(14) . . . .
C4_32 C1_32 C3_32 F4B_32 -143.7(12) . . . .
C2_32 C1_32 C3_32 F4B_32 96.3(13) . . . .
O1_32 C1_32 C3_32 F6_32 29.5(16) . . . .
C4_32 C1_32 C3_32 F6_32 -89.2(15) . . . .
C2_32 C1_32 C3_32 F6_32 150.8(14) . . . .
O1_32 C1_32 C3_32 F6B_32 -178.8(14) . . . .
C4_32 C1_32 C3_32 F6B_32 62.4(15) . . . .
C2_32 C1_32 C3_32 F6B_32 -57.6(15) . . . .
O1_32 C1_32 C3_32 F5_32 169.4(14) . . . .
C4_32 C1_32 C3_32 F5_32 50.6(15) . . . .
C2_32 C1_32 C3_32 F5_32 -69.4(15) . . . .
O1_32 C1_32 C3_32 F4_32 -83.2(11) . . . .
C4_32 C1_32 C3_32 F4_32 158.0(10) . . . .
C2_32 C1_32 C3_32 F4_32 38.0(11) . . . .
O1_32 C1_32 C3_32 F5B_32 78.0(9) . . . .
C4_32 C1_32 C3_32 F5B_32 -40.8(9) . . . .
C2_32 C1_32 C3_32 F5B_32 -160.8(8) . . . .
O1_32 C1_32 C4_32 F9B_32 36.1(16) . . . .
C2_32 C1_32 C4_32 F9B_32 -86.6(15) . . . .
C3_32 C1_32 C4_32 F9B_32 155.3(14) . . . .
O1_32 C1_32 C4_32 F7_32 -167.7(11) . . . .
C2_32 C1_32 C4_32 F7_32 69.6(13) . . . .
C3_32 C1_32 C4_32 F7_32 -48.5(13) . . . .
O1_32 C1_32 C4_32 F8B_32 169.2(13) . . . .
C2_32 C1_32 C4_32 F8B_32 46.6(14) . . . .
C3_32 C1_32 C4_32 F8B_32 -71.5(14) . . . .
O1_32 C1_32 C4_32 F8_32 -34.1(13) . . . .
C2_32 C1_32 C4_32 F8_32 -156.8(10) . . . .
C3_32 C1_32 C4_32 F8_32 85.1(11) . . . .
O1_32 C1_32 C4_32 F9_32 74.7(11) . . . .
C2_32 C1_32 C4_32 F9_32 -47.9(11) . . . .
C3_32 C1_32 C4_32 F9_32 -166.0(9) . . . .
O1_32 C1_32 C4_32 F7B_32 -83.9(11) . . . .
C2_32 C1_32 C4_32 F7B_32 153.5(10) . . . .
C3_32 C1_32 C4_32 F7B_32 35.4(11) . . . .
O1_30 Al7 O1_33 C1_33 154.7(12) . . . .
O1_31 Al7 O1_33 C1_33 -82.8(13) . . . .
O1_32 Al7 O1_33 C1_33 34.0(13) . . . .
Al7 O1_33 C1_33 C2_33 64.3(15) . . . .
Al7 O1_33 C1_33 C4_33 -174.8(10) . . . .
Al7 O1_33 C1_33 C3_33 -55.5(15) . . . .
O1_33 C1_33 C2_33 F1_33 -165.5(9) . . . .
C4_33 C1_33 C2_33 F1_33 75.5(11) . . . .
C3_33 C1_33 C2_33 F1_33 -43.9(11) . . . .
O1_33 C1_33 C2_33 F3_33 -43.6(12) . . . .
C4_33 C1_33 C2_33 F3_33 -162.6(9) . . . .
C3_33 C1_33 C2_33 F3_33 78.0(10) . . . .
O1_33 C1_33 C2_33 F2_33 73.3(11) . . . .
C4_33 C1_33 C2_33 F2_33 -45.7(11) . . . .
C3_33 C1_33 C2_33 F2_33 -165.1(8) . . . .
O1_33 C1_33 C3_33 F4_33 79.6(10) . . . .
C2_33 C1_33 C3_33 F4_33 -41.6(11) . . . .
C4_33 C1_33 C3_33 F4_33 -162.0(8) . . . .
O1_33 C1_33 C3_33 F6_33 -39.4(11) . . . .
C2_33 C1_33 C3_33 F6_33 -160.6(8) . . . .
C4_33 C1_33 C3_33 F6_33 79.0(10) . . . .
O1_33 C1_33 C3_33 F5_33 -158.5(8) . . . .
C2_33 C1_33 C3_33 F5_33 80.2(10) . . . .
C4_33 C1_33 C3_33 F5_33 -40.1(11) . . . .
O1_33 C1_33 C4_33 F7_33 -167.8(9) . . . .
C2_33 C1_33 C4_33 F7_33 -46.9(12) . . . .
C3_33 C1_33 C4_33 F7_33 71.7(11) . . . .
O1_33 C1_33 C4_33 F8_33 73.3(11) . . . .
C2_33 C1_33 C4_33 F8_33 -165.9(9) . . . .
C3_33 C1_33 C4_33 F8_33 -47.3(12) . . . .
O1_33 C1_33 C4_33 F9_33 -47.1(11) . . . .
C2_33 C1_33 C4_33 F9_33 73.7(11) . . . .
C3_33 C1_33 C4_33 F9_33 -167.7(9) . . . .
O1_35 Al8 O1_34 C1_34 -147.3(15) . . . .
O1_36 Al8 O1_34 C1_34 -21.1(17) . . . .
O1_37 Al8 O1_34 C1_34 96.1(16) . . . .
Al8 O1_34 C1_34 C2_34 -163.0(13) . . . .
Al8 O1_34 C1_34 C4_34 -39.8(19) . . . .
Al8 O1_34 C1_34 C3_34 78.6(17) . . . .
O1_34 C1_34 C2_34 F1_34 -39.0(12) . . . .
C4_34 C1_34 C2_34 F1_34 -161.9(9) . . . .
C3_34 C1_34 C2_34 F1_34 80.3(11) . . . .
O1_34 C1_34 C2_34 F2_34 -161.4(9) . . . .
C4_34 C1_34 C2_34 F2_34 75.7(12) . . . .
C3_34 C1_34 C2_34 F2_34 -42.1(12) . . . .
O1_34 C1_34 C2_34 F3_34 78.5(10) . . . .
C4_34 C1_34 C2_34 F3_34 -44.3(11) . . . .
C3_34 C1_34 C2_34 F3_34 -162.1(8) . . . .
O1_34 C1_34 C3_34 F4_34 -42.2(12) . . . .
C2_34 C1_34 C3_34 F4_34 -160.6(9) . . . .
C4_34 C1_34 C3_34 F4_34 78.7(10) . . . .
O1_34 C1_34 C3_34 F6_34 -162.1(9) . . . .
C2_34 C1_34 C3_34 F6_34 79.4(11) . . . .
C4_34 C1_34 C3_34 F6_34 -41.2(11) . . . .
O1_34 C1_34 C3_34 F5_34 77.2(11) . . . .
C2_34 C1_34 C3_34 F5_34 -41.3(11) . . . .
C4_34 C1_34 C3_34 F5_34 -161.9(9) . . . .
O1_34 C1_34 C4_34 F7_34 -43.7(12) . . . .
C2_34 C1_34 C4_34 F7_34 77.6(11) . . . .
C3_34 C1_34 C4_34 F7_34 -163.8(9) . . . .
O1_34 C1_34 C4_34 F9_34 80.5(11) . . . .
C2_34 C1_34 C4_34 F9_34 -158.2(9) . . . .
C3_34 C1_34 C4_34 F9_34 -39.6(11) . . . .
O1_34 C1_34 C4_34 F8_34 -158.3(10) . . . .
C2_34 C1_34 C4_34 F8_34 -37.0(12) . . . .
C3_34 C1_34 C4_34 F8_34 81.6(11) . . . .
O1_36 Al8 O1_35 C1_35 -77.8(14) . . . .
O1_34 Al8 O1_35 C1_35 44.5(15) . . . .
O1_37 Al8 O1_35 C1_35 164.7(13) . . . .
Al8 O1_35 C1_35 C4_35 -71.4(16) . . . .
Al8 O1_35 C1_35 C2_35 168.8(11) . . . .
Al8 O1_35 C1_35 C3_35 49.2(16) . . . .
O1_35 C1_35 C2_35 F2_35 -43.8(11) . . . .
C4_35 C1_35 C2_35 F2_35 -163.1(8) . . . .
C3_35 C1_35 C2_35 F2_35 75.6(11) . . . .
O1_35 C1_35 C2_35 F1_35 76.1(10) . . . .
C4_35 C1_35 C2_35 F1_35 -43.3(11) . . . .
C3_35 C1_35 C2_35 F1_35 -164.6(8) . . . .
O1_35 C1_35 C2_35 F3_35 -164.6(9) . . . .
C4_35 C1_35 C2_35 F3_35 76.1(10) . . . .
C3_35 C1_35 C2_35 F3_35 -45.2(11) . . . .
O1_35 C1_35 C3_35 F6_35 -43.8(12) . . . .
C4_35 C1_35 C3_35 F6_35 76.9(10) . . . .
C2_35 C1_35 C3_35 F6_35 -161.4(9) . . . .
O1_35 C1_35 C3_35 F5_35 -164.7(9) . . . .
C4_35 C1_35 C3_35 F5_35 -44.0(11) . . . .
C2_35 C1_35 C3_35 F5_35 77.7(11) . . . .
O1_35 C1_35 C3_35 F4_35 75.6(10) . . . .
C4_35 C1_35 C3_35 F4_35 -163.7(8) . . . .
C2_35 C1_35 C3_35 F4_35 -42.0(11) . . . .
O1_35 C1_35 C4_35 F7_35 -42.6(11) . . . .
C2_35 C1_35 C4_35 F7_35 75.0(11) . . . .
C3_35 C1_35 C4_35 F7_35 -163.4(8) . . . .
O1_35 C1_35 C4_35 F9_35 77.5(10) . . . .
C2_35 C1_35 C4_35 F9_35 -164.9(8) . . . .
C3_35 C1_35 C4_35 F9_35 -43.3(10) . . . .
O1_35 C1_35 C4_35 F8_35 -163.7(9) . . . .
C2_35 C1_35 C4_35 F8_35 -46.1(11) . . . .
C3_35 C1_35 C4_35 F8_35 75.5(11) . . . .
O1_35 Al8 O1_36 C1_36 -76.8(16) . . . .
O1_34 Al8 O1_36 C1_36 161.2(15) . . . .
O1_37 Al8 O1_36 C1_36 40.6(17) . . . .
Al8 O1_36 C1_36 C3_36 8(2) . . . .
Al8 O1_36 C1_36 C2_36 -111.6(15) . . . .
Al8 O1_36 C1_36 C4_36 129.4(14) . . . .
O1_36 C1_36 C2_36 F2_36 45.6(12) . . . .
C3_36 C1_36 C2_36 F2_36 -76.1(11) . . . .
C4_36 C1_36 C2_36 F2_36 164.4(9) . . . .
O1_36 C1_36 C2_36 F3_36 166.4(9) . . . .
C3_36 C1_36 C2_36 F3_36 44.7(11) . . . .
C4_36 C1_36 C2_36 F3_36 -74.8(11) . . . .
O1_36 C1_36 C2_36 F1_36 -73.4(11) . . . .
C3_36 C1_36 C2_36 F1_36 164.9(9) . . . .
C4_36 C1_36 C2_36 F1_36 45.4(11) . . . .
O1_36 C1_36 C3_36 F6_36 41.9(12) . . . .
C2_36 C1_36 C3_36 F6_36 161.9(9) . . . .
C4_36 C1_36 C3_36 F6_36 -79.0(10) . . . .
O1_36 C1_36 C3_36 F5_36 161.4(10) . . . .
C2_36 C1_36 C3_36 F5_36 -78.6(11) . . . .
C4_36 C1_36 C3_36 F5_36 40.6(12) . . . .
O1_36 C1_36 C3_36 F4_36 -78.3(11) . . . .
C2_36 C1_36 C3_36 F4_36 41.6(11) . . . .
C4_36 C1_36 C3_36 F4_36 160.8(8) . . . .
O1_36 C1_36 C4_36 F8_36 -76.4(11) . . . .
C3_36 C1_36 C4_36 F8_36 46.2(11) . . . .
C2_36 C1_36 C4_36 F8_36 164.9(9) . . . .
O1_36 C1_36 C4_36 F9_36 40.7(11) . . . .
C3_36 C1_36 C4_36 F9_36 163.3(9) . . . .
C2_36 C1_36 C4_36 F9_36 -78.0(11) . . . .
O1_36 C1_36 C4_36 F7_36 162.9(10) . . . .
C3_36 C1_36 C4_36 F7_36 -74.5(11) . . . .
C2_36 C1_36 C4_36 F7_36 44.1(12) . . . .
O1_35 Al8 O1_37 C1_37 -48.9(14) . . . .
O1_36 Al8 O1_37 C1_37 -172.3(13) . . . .
O1_34 Al8 O1_37 C1_37 69.0(14) . . . .
Al8 O1_37 C1_37 C3_37 -61.7(16) . . . .
Al8 O1_37 C1_37 C2_37 60.1(16) . . . .
Al8 O1_37 C1_37 C4_37 -180.0(11) . . . .
O1_37 C1_37 C2_37 F2_37 41.2(12) . . . .
C3_37 C1_37 C2_37 F2_37 164.3(9) . . . .
C4_37 C1_37 C2_37 F2_37 -77.8(10) . . . .
O1_37 C1_37 C2_37 F1_37 162.2(9) . . . .
C3_37 C1_37 C2_37 F1_37 -74.6(11) . . . .
C4_37 C1_37 C2_37 F1_37 43.3(12) . . . .
O1_37 C1_37 C2_37 F3_37 -77.8(11) . . . .
C3_37 C1_37 C2_37 F3_37 45.4(11) . . . .
C4_37 C1_37 C2_37 F3_37 163.2(9) . . . .
O1_37 C1_37 C3_37 F5_37 -67.5(11) . . . .
C2_37 C1_37 C3_37 F5_37 168.8(9) . . . .
C4_37 C1_37 C3_37 F5_37 50.4(11) . . . .
O1_37 C1_37 C3_37 F6_37 169.6(9) . . . .
C2_37 C1_37 C3_37 F6_37 45.9(11) . . . .
C4_37 C1_37 C3_37 F6_37 -72.6(11) . . . .
O1_37 C1_37 C3_37 F4_37 48.6(11) . . . .
C2_37 C1_37 C3_37 F4_37 -75.1(10) . . . .
C4_37 C1_37 C3_37 F4_37 166.5(9) . . . .
O1_37 C1_37 C4_37 F8_37 164.9(10) . . . .
C3_37 C1_37 C4_37 F8_37 44.7(12) . . . .
C2_37 C1_37 C4_37 F8_37 -73.3(12) . . . .
O1_37 C1_37 C4_37 F7_37 44.8(11) . . . .
C3_37 C1_37 C4_37 F7_37 -75.4(11) . . . .
C2_37 C1_37 C4_37 F7_37 166.6(9) . . . .
O1_37 C1_37 C4_37 F9_37 -73.1(11) . . . .
C3_37 C1_37 C4_37 F9_37 166.8(9) . . . .
C2_37 C1_37 C4_37 F9_37 48.7(11) . . . .
O1_40 Al9 O1_38 C1_38 86(2) . . . .
O1_50 Al9 O1_38 C1_38 -139(2) . . . .
O1_41 Al9 O1_38 C1_38 -32(2) . . . .
O1_39 Al9 O1_38 C1_38 -154(2) . . . .
Al9 O1_38 C1_38 C4_38 -44(3) . . . .
Al9 O1_38 C1_38 C2_38 -168.0(18) . . . .
Al9 O1_38 C1_38 C3_38 75(2) . . . .
O1_38 C1_38 C2_38 F1_38 43.5(14) . . . .
C4_38 C1_38 C2_38 F1_38 -81.0(13) . . . .
C3_38 C1_38 C2_38 F1_38 161.2(11) . . . .
O1_38 C1_38 C2_38 F3_38 163.0(10) . . . .
C4_38 C1_38 C2_38 F3_38 38.5(13) . . . .
C3_38 C1_38 C2_38 F3_38 -79.4(11) . . . .
O1_38 C1_38 C2_38 F2_38 -76.8(12) . . . .
C4_38 C1_38 C2_38 F2_38 158.6(10) . . . .
C3_38 C1_38 C2_38 F2_38 40.8(12) . . . .
O1_38 C1_38 C3_38 F4_38 41.9(13) . . . .
C4_38 C1_38 C3_38 F4_38 163.4(10) . . . .
C2_38 C1_38 C3_38 F4_38 -76.6(12) . . . .
O1_38 C1_38 C3_38 F5_38 161.8(10) . . . .
C4_38 C1_38 C3_38 F5_38 -76.6(12) . . . .
C2_38 C1_38 C3_38 F5_38 43.4(13) . . . .
O1_38 C1_38 C3_38 F6_38 -78.2(12) . . . .
C4_38 C1_38 C3_38 F6_38 43.4(12) . . . .
C2_38 C1_38 C3_38 F6_38 163.4(9) . . . .
O1_38 C1_38 C4_38 F9_38 42.5(14) . . . .
C2_38 C1_38 C4_38 F9_38 165.6(10) . . . .
C3_38 C1_38 C4_38 F9_38 -76.8(12) . . . .
O1_38 C1_38 C4_38 F7_38 -77.2(12) . . . .
C2_38 C1_38 C4_38 F7_38 45.9(12) . . . .
C3_38 C1_38 C4_38 F7_38 163.6(9) . . . .
O1_38 C1_38 C4_38 F8_38 165.4(10) . . . .
C2_38 C1_38 C4_38 F8_38 -71.5(13) . . . .
C3_38 C1_38 C4_38 F8_38 46.2(12) . . . .
O1_40 Al9 O1_39 C1_39 154(2) . . . .
O1_38 Al9 O1_39 C1_39 30(2) . . . .
O1_41 Al9 O1_39 C1_39 -89(2) . . . .
Al9 O1_39 C1_39 C3_39 -96(2) . . . .
Al9 O1_39 C1_39 C2_39 143.2(19) . . . .
Al9 O1_39 C1_39 C4_39 25(3) . . . .
O1_39 C1_39 C2_39 F3_39 -75.1(14) . . . .
C3_39 C1_39 C2_39 F3_39 163.9(12) . . . .
C4_39 C1_39 C2_39 F3_39 46.1(14) . . . .
O1_39 C1_39 C2_39 F1_39 44.9(15) . . . .
C3_39 C1_39 C2_39 F1_39 -76.1(14) . . . .
C4_39 C1_39 C2_39 F1_39 166.1(11) . . . .
O1_39 C1_39 C2_39 F2_39 161.6(12) . . . .
C3_39 C1_39 C2_39 F2_39 40.6(14) . . . .
C4_39 C1_39 C2_39 F2_39 -77.2(13) . . . .
O1_39 C1_39 C3_39 F6_39 44.0(15) . . . .
C2_39 C1_39 C3_39 F6_39 163.7(11) . . . .
C4_39 C1_39 C3_39 F6_39 -78.8(13) . . . .
O1_39 C1_39 C3_39 F4_39 -75.9(14) . . . .
C2_39 C1_39 C3_39 F4_39 43.8(15) . . . .
C4_39 C1_39 C3_39 F4_39 161.3(11) . . . .
O1_39 C1_39 C3_39 F5_39 162.9(12) . . . .
C2_39 C1_39 C3_39 F5_39 -77.4(14) . . . .
C4_39 C1_39 C3_39 F5_39 40.1(14) . . . .
O1_39 C1_39 C4_39 F7_39 159.7(12) . . . .
C3_39 C1_39 C4_39 F7_39 -78.3(13) . . . .
C2_39 C1_39 C4_39 F7_39 40.7(14) . . . .
O1_39 C1_39 C4_39 F8_39 -78.5(14) . . . .
C3_39 C1_39 C4_39 F8_39 43.6(14) . . . .
C2_39 C1_39 C4_39 F8_39 162.5(11) . . . .
O1_39 C1_39 C4_39 F9_39 39.5(15) . . . .
C3_39 C1_39 C4_39 F9_39 161.5(11) . . . .
C2_39 C1_39 C4_39 F9_39 -79.6(13) . . . .
O1_40 Al9 O1_50 C1_50 56(4) . . . .
O1_38 Al9 O1_50 C1_50 -74(4) . . . .
O1_41 Al9 O1_50 C1_50 175(4) . . . .
Al9 O1_50 C1_50 C2_50 -80(4) . . . .
Al9 O1_50 C1_50 C3_50 38(4) . . . .
Al9 O1_50 C1_50 C4_50 160(3) . . . .
O1_50 C1_50 C2_50 F3_50 77(2) . . . .
C3_50 C1_50 C2_50 F3_50 -41(2) . . . .
C4_50 C1_50 C2_50 F3_50 -164.0(19) . . . .
O1_50 C1_50 C2_50 F2_50 -163(2) . . . .
C3_50 C1_50 C2_50 F2_50 80.1(19) . . . .
C4_50 C1_50 C2_50 F2_50 -43(2) . . . .
O1_50 C1_50 C2_50 F1_50 -45(2) . . . .
C3_50 C1_50 C2_50 F1_50 -162.3(18) . . . .
C4_50 C1_50 C2_50 F1_50 74(2) . . . .
O1_50 C1_50 C3_50 F4_50 66(2) . . . .
C2_50 C1_50 C3_50 F4_50 -175.9(16) . . . .
C4_50 C1_50 C3_50 F4_50 -54(2) . . . .
O1_50 C1_50 C3_50 F6_50 -169.5(19) . . . .
C2_50 C1_50 C3_50 F6_50 -51(2) . . . .
C4_50 C1_50 C3_50 F6_50 71(2) . . . .
O1_50 C1_50 C3_50 F5_50 -45(2) . . . .
C2_50 C1_50 C3_50 F5_50 74(2) . . . .
C4_50 C1_50 C3_50 F5_50 -164.4(18) . . . .
O1_50 C1_50 C4_50 F8_50 -163(2) . . . .
C2_50 C1_50 C4_50 F8_50 77(2) . . . .
C3_50 C1_50 C4_50 F8_50 -43(2) . . . .
O1_50 C1_50 C4_50 F7_50 -44(2) . . . .
C2_50 C1_50 C4_50 F7_50 -163.7(19) . . . .
C3_50 C1_50 C4_50 F7_50 76(2) . . . .
O1_50 C1_50 C4_50 F9_50 73(2) . . . .
C2_50 C1_50 C4_50 F9_50 -47(2) . . . .
C3_50 C1_50 C4_50 F9_50 -167.4(18) . . . .
O1_38 Al9 O1_40 C1_40 57(3) . . . .
O1_50 Al9 O1_40 C1_40 -68(3) . . . .
O1_41 Al9 O1_40 C1_40 175(2) . . . .
O1_39 Al9 O1_40 C1_40 -65(3) . . . .
Al9 O1_40 C1_40 C4_40 127(2) . . . .
Al9 O1_40 C1_40 C3_40 7(3) . . . .
Al9 O1_40 C1_40 C2_40 -112(2) . . . .
O1_40 C1_40 C2_40 F3_40 -50.6(15) . . . .
C4_40 C1_40 C2_40 F3_40 70.5(14) . . . .
C3_40 C1_40 C2_40 F3_40 -168.8(12) . . . .
O1_40 C1_40 C2_40 F2_40 74.7(15) . . . .
C4_40 C1_40 C2_40 F2_40 -164.2(12) . . . .
C3_40 C1_40 C2_40 F2_40 -43.5(15) . . . .
O1_40 C1_40 C2_40 F1_40 -165.7(11) . . . .
C4_40 C1_40 C2_40 F1_40 -44.6(14) . . . .
C3_40 C1_40 C2_40 F1_40 76.1(13) . . . .
O1_40 C1_40 C3_40 F5_40 -168.0(13) . . . .
C4_40 C1_40 C3_40 F5_40 73.6(15) . . . .
C2_40 C1_40 C3_40 F5_40 -46.5(15) . . . .
O1_40 C1_40 C3_40 F4_40 -50.0(15) . . . .
C4_40 C1_40 C3_40 F4_40 -168.4(12) . . . .
C2_40 C1_40 C3_40 F4_40 71.5(14) . . . .
O1_40 C1_40 C3_40 F6_40 71.2(14) . . . .
C4_40 C1_40 C3_40 F6_40 -47.2(14) . . . .
C2_40 C1_40 C3_40 F6_40 -167.2(11) . . . .
O1_40 C1_40 C4_40 F7_40 -163.5(13) . . . .
C3_40 C1_40 C4_40 F7_40 -46.4(15) . . . .
C2_40 C1_40 C4_40 F7_40 73.4(14) . . . .
O1_40 C1_40 C4_40 F9_40 75.9(13) . . . .
C3_40 C1_40 C4_40 F9_40 -166.9(11) . . . .
C2_40 C1_40 C4_40 F9_40 -47.1(14) . . . .
O1_40 C1_40 C4_40 F8_40 -43.3(15) . . . .
C3_40 C1_40 C4_40 F8_40 73.9(13) . . . .
C2_40 C1_40 C4_40 F8_40 -166.3(11) . . . .
O1_40 Al9 O1_41 C1_41 52.8(18) . . . .
O1_38 Al9 O1_41 C1_41 175.2(17) . . . .
O1_50 Al9 O1_41 C1_41 -77(2) . . . .
O1_39 Al9 O1_41 C1_41 -63.2(18) . . . .
Al9 O1_41 C1_41 C2_41 -131.4(16) . . . .
Al9 O1_41 C1_41 C4_41 108.0(17) . . . .
Al9 O1_41 C1_41 C3_41 -11(2) . . . .
O1_41 C1_41 C2_41 F2_41 162.1(12) . . . .
C4_41 C1_41 C2_41 F2_41 -75.9(14) . . . .
C3_41 C1_41 C2_41 F2_41 39.4(15) . . . .
O1_41 C1_41 C2_41 F3_41 40.4(14) . . . .
C4_41 C1_41 C2_41 F3_41 162.5(11) . . . .
C3_41 C1_41 C2_41 F3_41 -82.2(12) . . . .
O1_41 C1_41 C2_41 F1_41 -77.2(12) . . . .
C4_41 C1_41 C2_41 F1_41 44.8(12) . . . .
C3_41 C1_41 C2_41 F1_41 160.2(10) . . . .
O1_41 C1_41 C3_41 F6_41 38.7(14) . . . .
C2_41 C1_41 C3_41 F6_41 159.6(10) . . . .
C4_41 C1_41 C3_41 F6_41 -83.2(12) . . . .
O1_41 C1_41 C3_41 F4_41 158.8(10) . . . .
C2_41 C1_41 C3_41 F4_41 -80.3(12) . . . .
C4_41 C1_41 C3_41 F4_41 37.0(13) . . . .
O1_41 C1_41 C3_41 F5_41 -81.0(12) . . . .
C2_41 C1_41 C3_41 F5_41 39.9(12) . . . .
C4_41 C1_41 C3_41 F5_41 157.2(10) . . . .
O1_41 C1_41 C4_41 F8_41 43.0(15) . . . .
C2_41 C1_41 C4_41 F8_41 -77.6(14) . . . .
C3_41 C1_41 C4_41 F8_41 165.1(11) . . . .
O1_41 C1_41 C4_41 F9_41 -78.7(13) . . . .
C2_41 C1_41 C4_41 F9_41 160.7(11) . . . .
C3_41 C1_41 C4_41 F9_41 43.4(13) . . . .
O1_41 C1_41 C4_41 F7_41 160.9(11) . . . .
C2_41 C1_41 C4_41 F7_41 40.3(14) . . . .
C3_41 C1_41 C4_41 F7_41 -76.9(12) . . . .
O1_47 Al10 O1_44 C1_44 74.0(16) . . . .
O1_46 Al10 O1_44 C1_44 -41.9(16) . . . .
O1_45 Al10 O1_44 C1_44 -166.8(15) . . . .
Al10 O1_44 C1_44 C4_44 103.8(16) . . . .
Al10 O1_44 C1_44 C2_44 -21(2) . . . .
Al10 O1_44 C1_44 C3_44 -137.7(13) . . . .
O1_44 C1_44 C2_44 F3_44 -166.5(11) . . . .
C4_44 C1_44 C2_44 F3_44 70.2(14) . . . .
C3_44 C1_44 C2_44 F3_44 -49.2(14) . . . .
O1_44 C1_44 C2_44 F2_44 -35.5(13) . . . .
C4_44 C1_44 C2_44 F2_44 -158.9(10) . . . .
C3_44 C1_44 C2_44 F2_44 81.8(11) . . . .
O1_44 C1_44 C2_44 F1_44 76.4(12) . . . .
C4_44 C1_44 C2_44 F1_44 -46.9(12) . . . .
C3_44 C1_44 C2_44 F1_44 -166.3(9) . . . .
O1_44 C1_44 C3_44 F6_44 -39.4(13) . . . .
C4_44 C1_44 C3_44 F6_44 79.3(12) . . . .
C2_44 C1_44 C3_44 F6_44 -159.7(10) . . . .
O1_44 C1_44 C3_44 F5_44 -161.7(10) . . . .
C4_44 C1_44 C3_44 F5_44 -43.0(13) . . . .
C2_44 C1_44 C3_44 F5_44 78.0(12) . . . .
O1_44 C1_44 C3_44 F4_44 76.4(12) . . . .
C4_44 C1_44 C3_44 F4_44 -165.0(10) . . . .
C2_44 C1_44 C3_44 F4_44 -44.0(12) . . . .
O1_44 C1_44 C4_44 F9_44 -43.9(14) . . . .
C2_44 C1_44 C4_44 F9_44 80.8(13) . . . .
C3_44 C1_44 C4_44 F9_44 -161.2(12) . . . .
O1_44 C1_44 C4_44 F7_44 -165.4(11) . . . .
C2_44 C1_44 C4_44 F7_44 -40.7(14) . . . .
C3_44 C1_44 C4_44 F7_44 77.3(13) . . . .
O1_44 C1_44 C4_44 F8_44 75.9(12) . . . .
C2_44 C1_44 C4_44 F8_44 -159.4(10) . . . .
C3_44 C1_44 C4_44 F8_44 -41.4(13) . . . .
O1_47 Al10 O1_45 C1_45 160.8(14) . . . .
O1_46 Al10 O1_45 C1_45 -81.6(15) . . . .
O1_44 Al10 O1_45 C1_45 38.5(16) . . . .
Al10 O1_45 C1_45 C2_45 58.7(18) . . . .
Al10 O1_45 C1_45 C4_45 -63.3(18) . . . .
Al10 O1_45 C1_45 C3_45 178.1(12) . . . .
O1_45 C1_45 C2_45 F2_45 74.6(12) . . . .
C4_45 C1_45 C2_45 F2_45 -162.4(10) . . . .
C3_45 C1_45 C2_45 F2_45 -43.7(13) . . . .
O1_45 C1_45 C2_45 F3_45 -167.3(10) . . . .
C4_45 C1_45 C2_45 F3_45 -44.2(13) . . . .
C3_45 C1_45 C2_45 F3_45 74.5(13) . . . .
O1_45 C1_45 C2_45 F1_45 -46.1(13) . . . .
C4_45 C1_45 C2_45 F1_45 77.0(12) . . . .
C3_45 C1_45 C2_45 F1_45 -164.4(10) . . . .
O1_45 C1_45 C3_45 F5_45 -165.0(10) . . . .
C2_45 C1_45 C3_45 F5_45 -45.3(13) . . . .
C4_45 C1_45 C3_45 F5_45 74.3(12) . . . .
O1_45 C1_45 C3_45 F6_45 74.9(12) . . . .
C2_45 C1_45 C3_45 F6_45 -165.3(10) . . . .
C4_45 C1_45 C3_45 F6_45 -45.7(13) . . . .
O1_45 C1_45 C3_45 F4_45 -44.6(13) . . . .
C2_45 C1_45 C3_45 F4_45 75.2(12) . . . .
C4_45 C1_45 C3_45 F4_45 -165.3(10) . . . .
O1_45 C1_45 C4_45 F8_45 -39.3(12) . . . .
C2_45 C1_45 C4_45 F8_45 -161.5(9) . . . .
C3_45 C1_45 C4_45 F8_45 79.0(11) . . . .
O1_45 C1_45 C4_45 F9_45 -158.7(10) . . . .
C2_45 C1_45 C4_45 F9_45 79.0(12) . . . .
C3_45 C1_45 C4_45 F9_45 -40.5(13) . . . .
O1_45 C1_45 C4_45 F7_45 78.2(12) . . . .
C2_45 C1_45 C4_45 F7_45 -44.0(12) . . . .
C3_45 C1_45 C4_45 F7_45 -163.5(9) . . . .
O1_47 Al10 O1_46 C1_46 42.3(16) . . . .
O1_44 Al10 O1_46 C1_46 162.7(15) . . . .
O1_45 Al10 O1_46 C1_46 -76.3(16) . . . .
Al10 O1_46 C1_46 C4_46 58.6(18) . . . .
Al10 O1_46 C1_46 C3_46 -177.9(12) . . . .
Al10 O1_46 C1_46 C2_46 -62.2(18) . . . .
O1_46 C1_46 C2_46 F2_46 -38.3(13) . . . .
C4_46 C1_46 C2_46 F2_46 -160.3(10) . . . .
C3_46 C1_46 C2_46 F2_46 78.8(12) . . . .
O1_46 C1_46 C2_46 F3_46 -156.2(9) . . . .
C4_46 C1_46 C2_46 F3_46 81.8(11) . . . .
C3_46 C1_46 C2_46 F3_46 -39.1(12) . . . .
O1_46 C1_46 C2_46 F1_46 83.5(11) . . . .
C4_46 C1_46 C2_46 F1_46 -38.5(12) . . . .
C3_46 C1_46 C2_46 F1_46 -159.4(9) . . . .
O1_46 C1_46 C3_46 F6_46 -47.4(13) . . . .
C4_46 C1_46 C3_46 F6_46 76.0(12) . . . .
C2_46 C1_46 C3_46 F6_46 -164.5(10) . . . .
O1_46 C1_46 C3_46 F5_46 -162.3(11) . . . .
C4_46 C1_46 C3_46 F5_46 -38.9(14) . . . .
C2_46 C1_46 C3_46 F5_46 80.6(12) . . . .
O1_46 C1_46 C3_46 F4_46 75.6(12) . . . .
C4_46 C1_46 C3_46 F4_46 -161.0(10) . . . .
C2_46 C1_46 C3_46 F4_46 -41.5(12) . . . .
O1_46 C1_46 C4_46 F9_46 -43.4(13) . . . .
C3_46 C1_46 C4_46 F9_46 -165.3(10) . . . .
C2_46 C1_46 C4_46 F9_46 77.0(11) . . . .
O1_46 C1_46 C4_46 F7_46 -158.7(10) . . . .
C3_46 C1_46 C4_46 F7_46 79.5(13) . . . .
C2_46 C1_46 C4_46 F7_46 -38.3(13) . . . .
O1_46 C1_46 C4_46 F8_46 77.9(11) . . . .
C3_46 C1_46 C4_46 F8_46 -44.0(12) . . . .
C2_46 C1_46 C4_46 F8_46 -161.7(9) . . . .
O1_46 Al10 O1_47 C1_47 -164.4(15) . . . .
O1_44 Al10 O1_47 C1_47 78.8(16) . . . .
O1_45 Al10 O1_47 C1_47 -41.0(16) . . . .
Al10 O1_47 C1_47 C2_47 -167.3(12) . . . .
Al10 O1_47 C1_47 C4_47 -46.7(19) . . . .
Al10 O1_47 C1_47 C3_47 72.8(17) . . . .
O1_47 C1_47 C2_47 F1_47 44.7(13) . . . .
C4_47 C1_47 C2_47 F1_47 -76.1(12) . . . .
C3_47 C1_47 C2_47 F1_47 164.5(10) . . . .
O1_47 C1_47 C2_47 F3_47 167.1(10) . . . .
C4_47 C1_47 C2_47 F3_47 46.3(13) . . . .
C3_47 C1_47 C2_47 F3_47 -73.1(12) . . . .
O1_47 C1_47 C2_47 F2_47 -74.8(12) . . . .
C4_47 C1_47 C2_47 F2_47 164.4(10) . . . .
C3_47 C1_47 C2_47 F2_47 45.0(13) . . . .
O1_47 C1_47 C3_47 F5_47 43.1(13) . . . .
C2_47 C1_47 C3_47 F5_47 -75.6(12) . . . .
C4_47 C1_47 C3_47 F5_47 163.9(10) . . . .
O1_47 C1_47 C3_47 F6_47 163.5(10) . . . .
C2_47 C1_47 C3_47 F6_47 44.7(13) . . . .
C4_47 C1_47 C3_47 F6_47 -75.7(12) . . . .
O1_47 C1_47 C3_47 F4_47 -76.4(12) . . . .
C2_47 C1_47 C3_47 F4_47 164.9(10) . . . .
C4_47 C1_47 C3_47 F4_47 44.4(13) . . . .
O1_47 C1_47 C4_47 F8_47 -77.5(13) . . . .
C2_47 C1_47 C4_47 F8_47 41.8(13) . . . .
C3_47 C1_47 C4_47 F8_47 162.1(10) . . . .
O1_47 C1_47 C4_47 F9_47 160.4(11) . . . .
C2_47 C1_47 C4_47 F9_47 -80.3(13) . . . .
C3_47 C1_47 C4_47 F9_47 40.0(14) . . . .
O1_47 C1_47 C4_47 F7_47 40.8(14) . . . .
C2_47 C1_47 C4_47 F7_47 160.1(11) . . . .
C3_47 C1_47 C4_47 F7_47 -79.6(13) . . . .
O1_53 Al11 O1_51 C1_51 -164.1(15) . . . .
O1_54 Al11 O1_51 C1_51 -45.6(16) . . . .
O1_52 Al11 O1_51 C1_51 75.5(16) . . . .
Al11 O1_51 C1_51 C4_51 -62.4(18) . . . .
Al11 O1_51 C1_51 C2_51 58.5(18) . . . .
Al11 O1_51 C1_51 C3_51 178.1(13) . . . .
O1_51 C1_51 C2_51 F3_51 162.0(9) . . . .
C4_51 C1_51 C2_51 F3_51 -75.3(11) . . . .
C3_51 C1_51 C2_51 F3_51 44.1(12) . . . .
O1_51 C1_51 C2_51 F2_51 40.7(12) . . . .
C4_51 C1_51 C2_51 F2_51 163.4(9) . . . .
C3_51 C1_51 C2_51 F2_51 -77.2(11) . . . .
O1_51 C1_51 C2_51 F1_51 -76.2(12) . . . .
C4_51 C1_51 C2_51 F1_51 46.5(11) . . . .
C3_51 C1_51 C2_51 F1_51 165.9(9) . . . .
O1_51 C1_51 C3_51 F6_51 46.1(13) . . . .
C4_51 C1_51 C3_51 F6_51 -74.5(12) . . . .
C2_51 C1_51 C3_51 F6_51 167.0(10) . . . .
O1_51 C1_51 C3_51 F4_51 -73.0(12) . . . .
C4_51 C1_51 C3_51 F4_51 166.4(9) . . . .
C2_51 C1_51 C3_51 F4_51 47.8(12) . . . .
O1_51 C1_51 C3_51 F5_51 168.0(10) . . . .
C4_51 C1_51 C3_51 F5_51 47.4(13) . . . .
C2_51 C1_51 C3_51 F5_51 -71.1(12) . . . .
O1_51 C1_51 C4_51 F8_51 -75.9(12) . . . .
C2_51 C1_51 C4_51 F8_51 161.3(9) . . . .
C3_51 C1_51 C4_51 F8_51 41.9(12) . . . .
O1_51 C1_51 C4_51 F7_51 162.9(9) . . . .
C2_51 C1_51 C4_51 F7_51 40.2(12) . . . .
C3_51 C1_51 C4_51 F7_51 -79.3(12) . . . .
O1_51 C1_51 C4_51 F9_51 43.0(12) . . . .
C2_51 C1_51 C4_51 F9_51 -79.7(11) . . . .
C3_51 C1_51 C4_51 F9_51 160.8(9) . . . .
O1_53 Al11 O1_52 C1_52 -39.0(18) . . . .
O1_54 Al11 O1_52 C1_52 -157.6(16) . . . .
O1_51 Al11 O1_52 C1_52 81.0(17) . . . .
Al11 O1_52 C1_52 C3_52 59(2) . . . .
Al11 O1_52 C1_52 C2_52 -63.3(19) . . . .
Al11 O1_52 C1_52 C4_52 178.0(14) . . . .
O1_52 C1_52 C2_52 F2_52 43.8(13) . . . .
C3_52 C1_52 C2_52 F2_52 -77.9(12) . . . .
C4_52 C1_52 C2_52 F2_52 161.4(10) . . . .
O1_52 C1_52 C2_52 F1_52 -77.1(12) . . . .
C3_52 C1_52 C2_52 F1_52 161.1(10) . . . .
C4_52 C1_52 C2_52 F1_52 40.5(12) . . . .
O1_52 C1_52 C2_52 F3_52 163.9(10) . . . .
C3_52 C1_52 C2_52 F3_52 42.2(13) . . . .
C4_52 C1_52 C2_52 F3_52 -78.5(12) . . . .
O1_52 C1_52 C3_52 F5_52 159.4(11) . . . .
C2_52 C1_52 C3_52 F5_52 -78.4(13) . . . .
C4_52 C1_52 C3_52 F5_52 42.0(14) . . . .
O1_52 C1_52 C3_52 F4_52 -79.7(13) . . . .
C2_52 C1_52 C3_52 F4_52 42.5(13) . . . .
C4_52 C1_52 C3_52 F4_52 162.9(10) . . . .
O1_52 C1_52 C3_52 F6_52 40.8(13) . . . .
C2_52 C1_52 C3_52 F6_52 163.0(10) . . . .
C4_52 C1_52 C3_52 F6_52 -76.5(12) . . . .
O1_52 C1_52 C4_52 F9_52 43.5(13) . . . .
C3_52 C1_52 C4_52 F9_52 162.3(10) . . . .
C2_52 C1_52 C4_52 F9_52 -76.0(12) . . . .
O1_52 C1_52 C4_52 F7_52 165.6(10) . . . .
C3_52 C1_52 C4_52 F7_52 -75.7(12) . . . .
C2_52 C1_52 C4_52 F7_52 46.1(13) . . . .
O1_52 C1_52 C4_52 F8_52 -76.6(12) . . . .
C3_52 C1_52 C4_52 F8_52 42.2(13) . . . .
C2_52 C1_52 C4_52 F8_52 163.9(10) . . . .
O1_54 Al11 O1_53 C1_53 -78.3(17) . . . .
O1_51 Al11 O1_53 C1_53 39.4(17) . . . .
O1_52 Al11 O1_53 C1_53 164.0(16) . . . .
Al11 O1_53 C1_53 C3_53 -77.4(18) . . . .
Al11 O1_53 C1_53 C2_53 45(2) . . . .
Al11 O1_53 C1_53 C4_53 162.1(13) . . . .
O1_53 C1_53 C2_53 F3_53 -168.6(10) . . . .
C3_53 C1_53 C2_53 F3_53 -45.8(13) . . . .
C4_53 C1_53 C2_53 F3_53 75.0(12) . . . .
O1_53 C1_53 C2_53 F2_53 -45.3(13) . . . .
C3_53 C1_53 C2_53 F2_53 77.4(11) . . . .
C4_53 C1_53 C2_53 F2_53 -161.8(9) . . . .
O1_53 C1_53 C2_53 F1_53 72.5(12) . . . .
C3_53 C1_53 C2_53 F1_53 -164.8(9) . . . .
C4_53 C1_53 C2_53 F1_53 -44.0(12) . . . .
O1_53 C1_53 C3_53 F6_53 -40.3(12) . . . .
C2_53 C1_53 C3_53 F6_53 -162.3(9) . . . .
C4_53 C1_53 C3_53 F6_53 78.2(11) . . . .
O1_53 C1_53 C3_53 F5_53 -162.3(10) . . . .
C2_53 C1_53 C3_53 F5_53 75.7(11) . . . .
C4_53 C1_53 C3_53 F5_53 -43.8(12) . . . .
O1_53 C1_53 C3_53 F4_53 78.5(12) . . . .
C2_53 C1_53 C3_53 F4_53 -43.5(12) . . . .
C4_53 C1_53 C3_53 F4_53 -162.9(9) . . . .
O1_53 C1_53 C4_53 F9_53 -41.1(13) . . . .
C3_53 C1_53 C4_53 F9_53 -162.1(10) . . . .
C2_53 C1_53 C4_53 F9_53 77.2(12) . . . .
O1_53 C1_53 C4_53 F8_53 78.1(11) . . . .
C3_53 C1_53 C4_53 F8_53 -42.9(12) . . . .
C2_53 C1_53 C4_53 F8_53 -163.7(9) . . . .
O1_53 C1_53 C4_53 F7_53 -162.7(10) . . . .
C3_53 C1_53 C4_53 F7_53 76.2(12) . . . .
C2_53 C1_53 C4_53 F7_53 -44.5(12) . . . .
O1_53 Al11 O1_54 C1_54 -98.0(15) . . . .
O1_51 Al11 O1_54 C1_54 145.0(14) . . . .
O1_52 Al11 O1_54 C1_54 19.8(16) . . . .
Al11 O1_54 C1_54 C3_54 38.2(18) . . . .
Al11 O1_54 C1_54 C4_54 157.4(12) . . . .
Al11 O1_54 C1_54 C2_54 -82.7(16) . . . .
O1_54 C1_54 C2_54 F3_54 41.2(12) . . . .
C3_54 C1_54 C2_54 F3_54 -81.9(11) . . . .
C4_54 C1_54 C2_54 F3_54 161.1(9) . . . .
O1_54 C1_54 C2_54 F2_54 -78.4(11) . . . .
C3_54 C1_54 C2_54 F2_54 158.5(9) . . . .
C4_54 C1_54 C2_54 F2_54 41.5(12) . . . .
O1_54 C1_54 C2_54 F1_54 159.8(9) . . . .
C3_54 C1_54 C2_54 F1_54 36.7(12) . . . .
C4_54 C1_54 C2_54 F1_54 -80.3(11) . . . .
O1_54 C1_54 C3_54 F6_54 40.3(13) . . . .
C4_54 C1_54 C3_54 F6_54 -79.8(11) . . . .
C2_54 C1_54 C3_54 F6_54 162.3(10) . . . .
O1_54 C1_54 C3_54 F5_54 160.9(10) . . . .
C4_54 C1_54 C3_54 F5_54 40.8(12) . . . .
C2_54 C1_54 C3_54 F5_54 -77.1(11) . . . .
O1_54 C1_54 C3_54 F4_54 -79.0(12) . . . .
C4_54 C1_54 C3_54 F4_54 160.9(9) . . . .
C2_54 C1_54 C3_54 F4_54 42.9(12) . . . .
O1_54 C1_54 C4_54 F9_54 42.7(12) . . . .
C3_54 C1_54 C4_54 F9_54 164.7(9) . . . .
C2_54 C1_54 C4_54 F9_54 -77.9(11) . . . .
O1_54 C1_54 C4_54 F7_54 162.8(9) . . . .
C3_54 C1_54 C4_54 F7_54 -75.2(11) . . . .
C2_54 C1_54 C4_54 F7_54 42.2(12) . . . .
O1_54 C1_54 C4_54 F8_54 -75.7(11) . . . .
C3_54 C1_54 C4_54 F8_54 46.3(11) . . . .
C2_54 C1_54 C4_54 F8_54 163.7(9) . . . .
O1_57 Al12 O1_55 C1_55 -77.0(15) . . . .
O1_56 Al12 O1_55 C1_55 42.9(16) . . . .
O1_58 Al12 O1_55 C1_55 166.1(14) . . . .
Al12 O1_55 C1_55 C4_55 178.2(12) . . . .
Al12 O1_55 C1_55 C3_55 57.4(17) . . . .
Al12 O1_55 C1_55 C2_55 -62.5(17) . . . .
F9_55 C4_55 C1_55 O1_55 -43.2(12) . . . .
F7_55 C4_55 C1_55 O1_55 76.0(11) . . . .
F8_55 C4_55 C1_55 O1_55 -163.2(9) . . . .
F9_55 C4_55 C1_55 C3_55 76.8(11) . . . .
F7_55 C4_55 C1_55 C3_55 -163.9(9) . . . .
F8_55 C4_55 C1_55 C3_55 -43.1(12) . . . .
F9_55 C4_55 C1_55 C2_55 -163.1(9) . . . .
F7_55 C4_55 C1_55 C2_55 -43.9(12) . . . .
F8_55 C4_55 C1_55 C2_55 76.9(11) . . . .
F6_55 C3_55 C1_55 O1_55 72.4(11) . . . .
F4_55 C3_55 C1_55 O1_55 -45.3(11) . . . .
F5_55 C3_55 C1_55 O1_55 -165.6(9) . . . .
F6_55 C3_55 C1_55 C4_55 -47.5(11) . . . .
F4_55 C3_55 C1_55 C4_55 -165.2(9) . . . .
F5_55 C3_55 C1_55 C4_55 74.6(11) . . . .
F6_55 C3_55 C1_55 C2_55 -167.3(9) . . . .
F4_55 C3_55 C1_55 C2_55 74.9(10) . . . .
F5_55 C3_55 C1_55 C2_55 -45.3(11) . . . .
F2_55 C2_55 C1_55 O1_55 75.1(12) . . . .
F3_55 C2_55 C1_55 O1_55 -163.3(10) . . . .
F1_55 C2_55 C1_55 O1_55 -43.3(12) . . . .
F2_55 C2_55 C1_55 C4_55 -165.5(9) . . . .
F3_55 C2_55 C1_55 C4_55 -43.9(12) . . . .
F1_55 C2_55 C1_55 C4_55 76.0(11) . . . .
F2_55 C2_55 C1_55 C3_55 -44.8(12) . . . .
F3_55 C2_55 C1_55 C3_55 76.8(11) . . . .
F1_55 C2_55 C1_55 C3_55 -163.2(9) . . . .
O1_57 Al12 O1_56 C1_56 -29.3(17) . . . .
O1_55 Al12 O1_56 C1_56 -151.8(15) . . . .
O1_58 Al12 O1_56 C1_56 89.1(16) . . . .
Al12 O1_56 C1_56 C4_56 89.5(17) . . . .
Al12 O1_56 C1_56 C2_56 -148.6(14) . . . .
Al12 O1_56 C1_56 C3_56 -30.1(19) . . . .
O1_56 C1_56 C2_56 F3_56 -40.0(12) . . . .
C4_56 C1_56 C2_56 F3_56 82.1(12) . . . .
C3_56 C1_56 C2_56 F3_56 -160.7(10) . . . .
O1_56 C1_56 C2_56 F2_56 -161.9(10) . . . .
C4_56 C1_56 C2_56 F2_56 -39.8(13) . . . .
C3_56 C1_56 C2_56 F2_56 77.3(12) . . . .
O1_56 C1_56 C2_56 F1_56 78.6(11) . . . .
C4_56 C1_56 C2_56 F1_56 -159.3(9) . . . .
C3_56 C1_56 C2_56 F1_56 -42.2(11) . . . .
O1_56 C1_56 C3_56 F5_56 -155.6(10) . . . .
C4_56 C1_56 C3_56 F5_56 82.6(12) . . . .
C2_56 C1_56 C3_56 F5_56 -36.8(13) . . . .
O1_56 C1_56 C3_56 F4_56 -36.5(12) . . . .
C4_56 C1_56 C3_56 F4_56 -158.3(9) . . . .
C2_56 C1_56 C3_56 F4_56 82.3(11) . . . .
O1_56 C1_56 C3_56 F6_56 81.1(11) . . . .
C4_56 C1_56 C3_56 F6_56 -40.7(12) . . . .
C2_56 C1_56 C3_56 F6_56 -160.1(9) . . . .
O1_56 C1_56 C4_56 F8_56 -40.4(13) . . . .
C2_56 C1_56 C4_56 F8_56 -160.9(10) . . . .
C3_56 C1_56 C4_56 F8_56 81.7(11) . . . .
O1_56 C1_56 C4_56 F7_56 -163.4(10) . . . .
C2_56 C1_56 C4_56 F7_56 76.1(12) . . . .
C3_56 C1_56 C4_56 F7_56 -41.4(12) . . . .
O1_56 C1_56 C4_56 F9_56 78.1(12) . . . .
C2_56 C1_56 C4_56 F9_56 -42.4(12) . . . .
C3_56 C1_56 C4_56 F9_56 -159.8(9) . . . .
O1_56 Al12 O1_57 C1_57 154.6(15) . . . .
O1_55 Al12 O1_57 C1_57 -85.9(16) . . . .
O1_58 Al12 O1_57 C1_57 31.5(17) . . . .
Al12 O1_57 C1_57 C4_57 23(2) . . . .
Al12 O1_57 C1_57 C2_57 -99.3(16) . . . .
Al12 O1_57 C1_57 C3_57 143.6(14) . . . .
O1_57 C1_57 C2_57 F1_57 47.8(11) . . . .
C4_57 C1_57 C2_57 F1_57 -76.2(10) . . . .
C3_57 C1_57 C2_57 F1_57 165.0(8) . . . .
O1_57 C1_57 C2_57 F3_57 164.1(9) . . . .
C4_57 C1_57 C2_57 F3_57 40.1(11) . . . .
C3_57 C1_57 C2_57 F3_57 -78.7(10) . . . .
O1_57 C1_57 C2_57 F2_57 -76.5(11) . . . .
C4_57 C1_57 C2_57 F2_57 159.6(9) . . . .
C3_57 C1_57 C2_57 F2_57 40.8(11) . . . .
O1_57 C1_57 C3_57 F6_57 -80.2(10) . . . .
C4_57 C1_57 C3_57 F6_57 42.0(11) . . . .
C2_57 C1_57 C3_57 F6_57 161.4(8) . . . .
O1_57 C1_57 C3_57 F4_57 39.7(11) . . . .
C4_57 C1_57 C3_57 F4_57 161.8(9) . . . .
C2_57 C1_57 C3_57 F4_57 -78.7(10) . . . .
O1_57 C1_57 C3_57 F5_57 158.4(9) . . . .
C4_57 C1_57 C3_57 F5_57 -79.4(11) . . . .
C2_57 C1_57 C3_57 F5_57 40.0(11) . . . .
O1_57 C1_57 C4_57 F7_57 158.7(9) . . . .
C2_57 C1_57 C4_57 F7_57 -78.8(11) . . . .
C3_57 C1_57 C4_57 F7_57 39.2(12) . . . .
O1_57 C1_57 C4_57 F9_57 39.3(12) . . . .
C2_57 C1_57 C4_57 F9_57 161.7(8) . . . .
C3_57 C1_57 C4_57 F9_57 -80.3(10) . . . .
O1_57 C1_57 C4_57 F8_57 -80.5(11) . . . .
C2_57 C1_57 C4_57 F8_57 41.9(11) . . . .
C3_57 C1_57 C4_57 F8_57 159.9(8) . . . .
O1_57 Al12 O1_58 C1_58 -168.1(14) . . . .
O1_56 Al12 O1_58 C1_58 72.3(16) . . . .
O1_55 Al12 O1_58 C1_58 -47.1(16) . . . .
Al12 O1_58 C1_58 C3_58 -178.0(12) . . . .
Al12 O1_58 C1_58 C4_58 63.5(17) . . . .
Al12 O1_58 C1_58 C2_58 -56.4(18) . . . .
O1_58 C1_58 C2_58 F2_58 -74.4(11) . . . .
C3_58 C1_58 C2_58 F2_58 45.8(11) . . . .
C4_58 C1_58 C2_58 F2_58 164.6(9) . . . .
O1_58 C1_58 C2_58 F1_58 44.4(13) . . . .
C3_58 C1_58 C2_58 F1_58 164.6(9) . . . .
C4_58 C1_58 C2_58 F1_58 -76.5(11) . . . .
O1_58 C1_58 C2_58 F3_58 166.2(10) . . . .
C3_58 C1_58 C2_58 F3_58 -73.6(12) . . . .
C4_58 C1_58 C2_58 F3_58 45.2(12) . . . .
O1_58 C1_58 C3_58 F6_58 -75.7(11) . . . .
C4_58 C1_58 C3_58 F6_58 43.8(11) . . . .
C2_58 C1_58 C3_58 F6_58 162.5(9) . . . .
O1_58 C1_58 C3_58 F5_58 162.2(9) . . . .
C4_58 C1_58 C3_58 F5_58 -78.4(11) . . . .
C2_58 C1_58 C3_58 F5_58 40.4(12) . . . .
O1_58 C1_58 C3_58 F4_58 41.3(11) . . . .
C4_58 C1_58 C3_58 F4_58 160.8(9) . . . .
C2_58 C1_58 C3_58 F4_58 -80.5(11) . . . .
O1_58 C1_58 C4_58 F9_58 160.0(10) . . . .
C3_58 C1_58 C4_58 F9_58 41.7(12) . . . .
C2_58 C1_58 C4_58 F9_58 -78.5(11) . . . .
O1_58 C1_58 C4_58 F8_58 39.5(12) . . . .
C3_58 C1_58 C4_58 F8_58 -78.8(10) . . . .
C2_58 C1_58 C4_58 F8_58 161.0(9) . . . .
O1_58 C1_58 C4_58 F7_58 -77.7(11) . . . .
C3_58 C1_58 C4_58 F7_58 163.9(9) . . . .
C2_58 C1_58 C4_58 F7_58 43.8(11) . . . .
O1_62 Al13 O1_59 C1_59 -47.4(14) . . . .
O1_60 Al13 O1_59 C1_59 73.7(13) . . . .
O1_61 Al13 O1_59 C1_59 -169.5(12) . . . .
Al13 O1_59 C1_59 C2_59 -177.3(10) . . . .
Al13 O1_59 C1_59 C4_59 62.0(16) . . . .
Al13 O1_59 C1_59 C3_59 -59.3(15) . . . .
O1_59 C1_59 C2_59 F2_59 41.7(12) . . . .
C4_59 C1_59 C2_59 F2_59 163.2(10) . . . .
C3_59 C1_59 C2_59 F2_59 -75.8(11) . . . .
O1_59 C1_59 C2_59 F3_59 160.6(9) . . . .
C4_59 C1_59 C2_59 F3_59 -77.9(12) . . . .
C3_59 C1_59 C2_59 F3_59 43.1(12) . . . .
O1_59 C1_59 C2_59 F1_59 -78.4(11) . . . .
C4_59 C1_59 C2_59 F1_59 43.1(12) . . . .
C3_59 C1_59 C2_59 F1_59 164.1(9) . . . .
O1_59 C1_59 C3_59 F5_59 167.0(9) . . . .
C2_59 C1_59 C3_59 F5_59 -76.1(11) . . . .
C4_59 C1_59 C3_59 F5_59 44.9(12) . . . .
O1_59 C1_59 C3_59 F6_59 46.3(12) . . . .
C2_59 C1_59 C3_59 F6_59 163.2(9) . . . .
C4_59 C1_59 C3_59 F6_59 -75.7(11) . . . .
O1_59 C1_59 C3_59 F4_59 -72.8(11) . . . .
C2_59 C1_59 C3_59 F4_59 44.1(12) . . . .
C4_59 C1_59 C3_59 F4_59 165.2(9) . . . .
O1_59 C1_59 C4_59 F8_59 162.1(9) . . . .
C2_59 C1_59 C4_59 F8_59 42.9(12) . . . .
C3_59 C1_59 C4_59 F8_59 -77.6(11) . . . .
O1_59 C1_59 C4_59 F9_59 -77.0(12) . . . .
C2_59 C1_59 C4_59 F9_59 163.8(9) . . . .
C3_59 C1_59 C4_59 F9_59 43.3(12) . . . .
O1_59 C1_59 C4_59 F7_59 42.3(12) . . . .
C2_59 C1_59 C4_59 F7_59 -76.9(11) . . . .
C3_59 C1_59 C4_59 F7_59 162.6(9) . . . .
O1_62 Al13 O1_60 C1_60 -161.5(15) . . . .
O1_59 Al13 O1_60 C1_60 77.6(16) . . . .
O1_61 Al13 O1_60 C1_60 -40.0(17) . . . .
Al13 O1_60 C1_60 C2_60 -12(2) . . . .
Al13 O1_60 C1_60 C3_60 -132.3(14) . . . .
Al13 O1_60 C1_60 C4_60 109.3(15) . . . .
O1_60 C1_60 C2_60 F1_60 79.5(11) . . . .
C3_60 C1_60 C2_60 F1_60 -158.9(8) . . . .
C4_60 C1_60 C2_60 F1_60 -41.5(11) . . . .
O1_60 C1_60 C2_60 F3_60 -157.8(9) . . . .
C3_60 C1_60 C2_60 F3_60 -36.1(12) . . . .
C4_60 C1_60 C2_60 F3_60 81.2(11) . . . .
O1_60 C1_60 C2_60 F2_60 -38.3(12) . . . .
C3_60 C1_60 C2_60 F2_60 83.3(10) . . . .
C4_60 C1_60 C2_60 F2_60 -159.3(8) . . . .
O1_60 C1_60 C3_60 F6_60 -42.3(12) . . . .
C2_60 C1_60 C3_60 F6_60 -165.5(9) . . . .
C4_60 C1_60 C3_60 F6_60 76.6(11) . . . .
O1_60 C1_60 C3_60 F4_60 76.3(11) . . . .
C2_60 C1_60 C3_60 F4_60 -47.0(11) . . . .
C4_60 C1_60 C3_60 F4_60 -164.8(9) . . . .
O1_60 C1_60 C3_60 F5_60 -162.6(10) . . . .
C2_60 C1_60 C3_60 F5_60 74.2(11) . . . .
C4_60 C1_60 C3_60 F5_60 -43.7(12) . . . .
O1_60 C1_60 C4_60 F9_60 -45.9(12) . . . .
C2_60 C1_60 C4_60 F9_60 77.3(10) . . . .
C3_60 C1_60 C4_60 F9_60 -165.4(9) . . . .
O1_60 C1_60 C4_60 F8_60 73.6(11) . . . .
C2_60 C1_60 C4_60 F8_60 -163.2(9) . . . .
C3_60 C1_60 C4_60 F8_60 -45.8(11) . . . .
O1_60 C1_60 C4_60 F7_60 -167.2(9) . . . .
C2_60 C1_60 C4_60 F7_60 -44.0(12) . . . .
C3_60 C1_60 C4_60 F7_60 73.3(11) . . . .
O1_62 Al13 O1_61 C1_61 -77.9(15) . . . .
O1_59 Al13 O1_61 C1_61 40.3(15) . . . .
O1_60 Al13 O1_61 C1_61 164.5(14) . . . .
Al13 O1_61 C1_61 C3_61 61.9(17) . . . .
Al13 O1_61 C1_61 C2_61 -179.0(11) . . . .
Al13 O1_61 C1_61 C4_61 -60.7(17) . . . .
O1_61 C1_61 C2_61 F3_61 -168.7(9) . . . .
C3_61 C1_61 C2_61 F3_61 -48.0(12) . . . .
C4_61 C1_61 C2_61 F3_61 71.8(11) . . . .
O1_61 C1_61 C2_61 F2_61 -45.6(12) . . . .
C3_61 C1_61 C2_61 F2_61 75.1(11) . . . .
C4_61 C1_61 C2_61 F2_61 -165.1(9) . . . .
O1_61 C1_61 C2_61 F1_61 72.4(11) . . . .
C3_61 C1_61 C2_61 F1_61 -166.9(9) . . . .
C4_61 C1_61 C2_61 F1_61 -47.0(11) . . . .
O1_61 C1_61 C3_61 F4_61 73.2(11) . . . .
C2_61 C1_61 C3_61 F4_61 -44.2(11) . . . .
C4_61 C1_61 C3_61 F4_61 -163.6(9) . . . .
O1_61 C1_61 C3_61 F6_61 -46.7(12) . . . .
C2_61 C1_61 C3_61 F6_61 -164.1(9) . . . .
C4_61 C1_61 C3_61 F6_61 76.5(11) . . . .
O1_61 C1_61 C3_61 F5_61 -166.8(9) . . . .
C2_61 C1_61 C3_61 F5_61 75.7(11) . . . .
C4_61 C1_61 C3_61 F5_61 -43.6(12) . . . .
O1_61 C1_61 C4_61 F9_61 -38.8(12) . . . .
C3_61 C1_61 C4_61 F9_61 -162.5(9) . . . .
C2_61 C1_61 C4_61 F9_61 78.1(11) . . . .
O1_61 C1_61 C4_61 F8_61 81.9(11) . . . .
C3_61 C1_61 C4_61 F8_61 -41.8(12) . . . .
C2_61 C1_61 C4_61 F8_61 -161.3(9) . . . .
O1_61 C1_61 C4_61 F7_61 -158.7(9) . . . .
C3_61 C1_61 C4_61 F7_61 77.6(11) . . . .
C2_61 C1_61 C4_61 F7_61 -41.9(12) . . . .
O1_59 Al13 O1_62 C1_62 168.9(16) . . . .
O1_60 Al13 O1_62 C1_62 42.4(18) . . . .
O1_61 Al13 O1_62 C1_62 -73.5(17) . . . .
Al13 O1_62 C1_62 C2_62 14(2) . . . .
Al13 O1_62 C1_62 C4_62 -106.8(16) . . . .
Al13 O1_62 C1_62 C3_62 132.9(15) . . . .
O1_62 C1_62 C2_62 F3_62 37.7(13) . . . .
C4_62 C1_62 C2_62 F3_62 158.3(9) . . . .
C3_62 C1_62 C2_62 F3_62 -82.1(11) . . . .
O1_62 C1_62 C2_62 F1_62 161.2(10) . . . .
C4_62 C1_62 C2_62 F1_62 -78.2(11) . . . .
C3_62 C1_62 C2_62 F1_62 41.4(12) . . . .
O1_62 C1_62 C2_62 F2_62 -79.9(11) . . . .
C4_62 C1_62 C2_62 F2_62 40.7(11) . . . .
C3_62 C1_62 C2_62 F2_62 160.3(9) . . . .
O1_62 C1_62 C3_62 F6_62 39.8(12) . . . .
C2_62 C1_62 C3_62 F6_62 161.0(9) . . . .
C4_62 C1_62 C3_62 F6_62 -80.0(11) . . . .
O1_62 C1_62 C3_62 F5_62 159.3(10) . . . .
C2_62 C1_62 C3_62 F5_62 -79.5(11) . . . .
C4_62 C1_62 C3_62 F5_62 39.5(12) . . . .
O1_62 C1_62 C3_62 F4_62 -79.5(11) . . . .
C2_62 C1_62 C3_62 F4_62 41.7(11) . . . .
C4_62 C1_62 C3_62 F4_62 160.7(9) . . . .
O1_62 C1_62 C4_62 F7_62 161.7(10) . . . .
C2_62 C1_62 C4_62 F7_62 39.7(12) . . . .
C3_62 C1_62 C4_62 F7_62 -78.6(12) . . . .
O1_62 C1_62 C4_62 F9_62 41.7(12) . . . .
C2_62 C1_62 C4_62 F9_62 -80.3(11) . . . .
C3_62 C1_62 C4_62 F9_62 161.4(9) . . . .
O1_62 C1_62 C4_62 F8_62 -77.2(11) . . . .
C2_62 C1_62 C4_62 F8_62 160.9(9) . . . .
C3_62 C1_62 C4_62 F8_62 42.6(12) . . . .
O1_64 Al14 O1_63 C1_63 -41.0(14) . . . .
O1_65 Al14 O1_63 C1_63 -163.7(12) . . . .
O1_66 Al14 O1_63 C1_63 78.1(13) . . . .
Al14 O1_63 C1_63 C3_63 -172.4(10) . . . .
Al14 O1_63 C1_63 C4_63 67.0(15) . . . .
Al14 O1_63 C1_63 C2_63 -55.4(16) . . . .
O1_63 C1_63 C2_63 F1_63 171.1(10) . . . .
C3_63 C1_63 C2_63 F1_63 -72.0(12) . . . .
C4_63 C1_63 C2_63 F1_63 47.5(12) . . . .
O1_63 C1_63 C2_63 F2_63 48.5(11) . . . .
C3_63 C1_63 C2_63 F2_63 165.5(9) . . . .
C4_63 C1_63 C2_63 F2_63 -75.1(10) . . . .
O1_63 C1_63 C2_63 F3_63 -67.3(12) . . . .
C3_63 C1_63 C2_63 F3_63 49.6(11) . . . .
C4_63 C1_63 C2_63 F3_63 169.1(9) . . . .
O1_63 C1_63 C3_63 F6_63 169.5(9) . . . .
C4_63 C1_63 C3_63 F6_63 -68.8(12) . . . .
C2_63 C1_63 C3_63 F6_63 50.6(12) . . . .
O1_63 C1_63 C3_63 F4_63 47.9(11) . . . .
C4_63 C1_63 C3_63 F4_63 169.6(9) . . . .
C2_63 C1_63 C3_63 F4_63 -71.0(11) . . . .
O1_63 C1_63 C3_63 F5_63 -69.7(11) . . . .
C4_63 C1_63 C3_63 F5_63 52.0(11) . . . .
C2_63 C1_63 C3_63 F5_63 171.4(9) . . . .
O1_63 C1_63 C4_63 F8_63 41.8(13) . . . .
C3_63 C1_63 C4_63 F8_63 -77.3(12) . . . .
C2_63 C1_63 C4_63 F8_63 164.7(10) . . . .
O1_63 C1_63 C4_63 F9_63 164.8(9) . . . .
C3_63 C1_63 C4_63 F9_63 45.7(12) . . . .
C2_63 C1_63 C4_63 F9_63 -72.4(11) . . . .
O1_63 C1_63 C4_63 F7_63 -76.9(11) . . . .
C3_63 C1_63 C4_63 F7_63 164.0(9) . . . .
C2_63 C1_63 C4_63 F7_63 45.9(11) . . . .
O1_65 Al14 O1_64 C1_64 -76.9(14) . . . .
O1_66 Al14 O1_64 C1_64 44.2(14) . . . .
O1_63 Al14 O1_64 C1_64 165.6(13) . . . .
Al14 O1_64 C1_64 C2_64 50.1(16) . . . .
Al14 O1_64 C1_64 C3_64 -71.0(15) . . . .
Al14 O1_64 C1_64 C4_64 171.2(11) . . . .
O1_64 C1_64 C2_64 F3_64 -162.6(9) . . . .
C3_64 C1_64 C2_64 F3_64 -42.1(12) . . . .
C4_64 C1_64 C2_64 F3_64 78.2(11) . . . .
O1_64 C1_64 C2_64 F1_64 73.4(11) . . . .
C3_64 C1_64 C2_64 F1_64 -166.0(9) . . . .
C4_64 C1_64 C2_64 F1_64 -45.8(12) . . . .
O1_64 C1_64 C2_64 F2_64 -44.9(11) . . . .
C3_64 C1_64 C2_64 F2_64 75.7(10) . . . .
C4_64 C1_64 C2_64 F2_64 -164.1(9) . . . .
O1_64 C1_64 C3_64 F4_64 -160.4(8) . . . .
C2_64 C1_64 C3_64 F4_64 77.7(10) . . . .
C4_64 C1_64 C3_64 F4_64 -43.5(11) . . . .
O1_64 C1_64 C3_64 F6_64 78.7(10) . . . .
C2_64 C1_64 C3_64 F6_64 -43.3(11) . . . .
C4_64 C1_64 C3_64 F6_64 -164.4(9) . . . .
O1_64 C1_64 C3_64 F5_64 -40.6(11) . . . .
C2_64 C1_64 C3_64 F5_64 -162.6(8) . . . .
C4_64 C1_64 C3_64 F5_64 76.3(10) . . . .
O1_64 C1_64 C4_64 F7_64 -164.1(9) . . . .
C2_64 C1_64 C4_64 F7_64 -42.5(11) . . . .
C3_64 C1_64 C4_64 F7_64 78.1(11) . . . .
O1_64 C1_64 C4_64 F8_64 72.9(10) . . . .
C2_64 C1_64 C4_64 F8_64 -165.6(9) . . . .
C3_64 C1_64 C4_64 F8_64 -44.9(11) . . . .
O1_64 C1_64 C4_64 F9_64 -45.8(11) . . . .
C2_64 C1_64 C4_64 F9_64 75.7(11) . . . .
C3_64 C1_64 C4_64 F9_64 -163.6(9) . . . .
O1_64 Al14 O1_65 C1_65 -80.5(14) . . . .
O1_66 Al14 O1_65 C1_65 158.4(13) . . . .
O1_63 Al14 O1_65 C1_65 37.7(14) . . . .
Al14 O1_65 C1_65 C3_65 -94.6(14) . . . .
Al14 O1_65 C1_65 C4_65 145.1(12) . . . .
Al14 O1_65 C1_65 C2_65 26.7(17) . . . .
O1_65 C1_65 C2_65 F3_65 156.4(9) . . . .
C3_65 C1_65 C2_65 F3_65 -81.2(11) . . . .
C4_65 C1_65 C2_65 F3_65 37.8(11) . . . .
O1_65 C1_65 C2_65 F2_65 -81.5(11) . . . .
C3_65 C1_65 C2_65 F2_65 40.8(11) . . . .
C4_65 C1_65 C2_65 F2_65 159.8(8) . . . .
O1_65 C1_65 C2_65 F1_65 37.3(12) . . . .
C3_65 C1_65 C2_65 F1_65 159.7(9) . . . .
C4_65 C1_65 C2_65 F1_65 -81.4(10) . . . .
O1_65 C1_65 C3_65 F5_65 168.2(9) . . . .
C4_65 C1_65 C3_65 F5_65 -72.3(11) . . . .
C2_65 C1_65 C3_65 F5_65 45.5(11) . . . .
O1_65 C1_65 C3_65 F6_65 -71.8(10) . . . .
C4_65 C1_65 C3_65 F6_65 47.7(11) . . . .
C2_65 C1_65 C3_65 F6_65 165.5(8) . . . .
O1_65 C1_65 C3_65 F4_65 46.7(11) . . . .
C4_65 C1_65 C3_65 F4_65 166.1(8) . . . .
C2_65 C1_65 C3_65 F4_65 -76.1(10) . . . .
O1_65 C1_65 C4_65 F7_65 -73.1(11) . . . .
C3_65 C1_65 C4_65 F7_65 165.9(8) . . . .
C2_65 C1_65 C4_65 F7_65 47.5(11) . . . .
O1_65 C1_65 C4_65 F8_65 166.7(9) . . . .
C3_65 C1_65 C4_65 F8_65 45.7(11) . . . .
C2_65 C1_65 C4_65 F8_65 -72.6(11) . . . .
O1_65 C1_65 C4_65 F9_65 46.7(11) . . . .
C3_65 C1_65 C4_65 F9_65 -74.3(10) . . . .
C2_65 C1_65 C4_65 F9_65 167.3(8) . . . .
O1_64 Al14 O1_66 C1_66 -163.2(15) . . . .
O1_65 Al14 O1_66 C1_66 -38.6(16) . . . .
O1_63 Al14 O1_66 C1_66 78.3(16) . . . .
Al14 O1_66 C1_66 C2_66 -36.8(19) . . . .
Al14 O1_66 C1_66 C4_66 -158.4(13) . . . .
Al14 O1_66 C1_66 C3_66 84.4(16) . . . .
O1_66 C1_66 C2_66 F2_66 41.2(12) . . . .
C4_66 C1_66 C2_66 F2_66 162.5(9) . . . .
C3_66 C1_66 C2_66 F2_66 -80.3(10) . . . .
O1_66 C1_66 C2_66 F1_66 -81.0(11) . . . .
C4_66 C1_66 C2_66 F1_66 40.3(11) . . . .
C3_66 C1_66 C2_66 F1_66 157.5(9) . . . .
O1_66 C1_66 C2_66 F3_66 160.4(9) . . . .
C4_66 C1_66 C2_66 F3_66 -78.2(10) . . . .
C3_66 C1_66 C2_66 F3_66 38.9(11) . . . .
O1_66 C1_66 C3_66 F5_66 164.5(9) . . . .
C2_66 C1_66 C3_66 F5_66 -72.6(12) . . . .
C4_66 C1_66 C3_66 F5_66 46.0(12) . . . .
O1_66 C1_66 C3_66 F6_66 41.4(12) . . . .
C2_66 C1_66 C3_66 F6_66 164.3(9) . . . .
C4_66 C1_66 C3_66 F6_66 -77.1(11) . . . .
O1_66 C1_66 C3_66 F4_66 -75.0(11) . . . .
C2_66 C1_66 C3_66 F4_66 47.9(11) . . . .
C4_66 C1_66 C3_66 F4_66 166.6(9) . . . .
O1_66 C1_66 C4_66 F9_66 45.3(12) . . . .
C2_66 C1_66 C4_66 F9_66 -77.6(11) . . . .
C3_66 C1_66 C4_66 F9_66 164.1(9) . . . .
O1_66 C1_66 C4_66 F8_66 -73.8(11) . . . .
C2_66 C1_66 C4_66 F8_66 163.2(8) . . . .
C3_66 C1_66 C4_66 F8_66 44.9(11) . . . .
O1_66 C1_66 C4_66 F7_66 166.6(9) . . . .
C2_66 C1_66 C4_66 F7_66 43.6(12) . . . .
C3_66 C1_66 C4_66 F7_66 -74.7(11) . . . .
O1_68 Al15 O1_67 C1_67 -28.1(15) . . . .
O1_70 Al15 O1_67 C1_67 -151.5(13) . . . .
O1_69 Al15 O1_67 C1_67 89.5(14) . . . .
Al15 O1_67 C1_67 C4_67 166.0(11) . . . .
Al15 O1_67 C1_67 C3_67 -75.1(15) . . . .
Al15 O1_67 C1_67 C2_67 45.7(17) . . . .
O1_67 C1_67 C2_67 F1_67 42.0(11) . . . .
C4_67 C1_67 C2_67 F1_67 -77.7(10) . . . .
C3_67 C1_67 C2_67 F1_67 163.2(8) . . . .
O1_67 C1_67 C2_67 F2_67 -78.2(10) . . . .
C4_67 C1_67 C2_67 F2_67 162.1(8) . . . .
C3_67 C1_67 C2_67 F2_67 43.0(10) . . . .
O1_67 C1_67 C2_67 F3_67 161.0(8) . . . .
C4_67 C1_67 C2_67 F3_67 41.3(11) . . . .
C3_67 C1_67 C2_67 F3_67 -77.7(10) . . . .
O1_67 C1_67 C3_67 F4_67 46.2(11) . . . .
C4_67 C1_67 C3_67 F4_67 165.0(8) . . . .
C2_67 C1_67 C3_67 F4_67 -75.5(10) . . . .
O1_67 C1_67 C3_67 F5_67 165.2(8) . . . .
C4_67 C1_67 C3_67 F5_67 -76.1(10) . . . .
C2_67 C1_67 C3_67 F5_67 43.4(11) . . . .
O1_67 C1_67 C3_67 F6_67 -73.6(10) . . . .
C4_67 C1_67 C3_67 F6_67 45.2(11) . . . .
C2_67 C1_67 C3_67 F6_67 164.7(8) . . . .
O1_67 C1_67 C4_67 F9_67 40.5(11) . . . .
C3_67 C1_67 C4_67 F9_67 -79.2(10) . . . .
C2_67 C1_67 C4_67 F9_67 161.5(8) . . . .
O1_67 C1_67 C4_67 F8_67 160.7(8) . . . .
C3_67 C1_67 C4_67 F8_67 41.0(11) . . . .
C2_67 C1_67 C4_67 F8_67 -78.2(10) . . . .
O1_67 C1_67 C4_67 F7_67 -78.5(10) . . . .
C3_67 C1_67 C4_67 F7_67 161.8(8) . . . .
C2_67 C1_67 C4_67 F7_67 42.5(10) . . . .
O1_67 Al15 O1_68 C1_68 173.8(13) . . . .
O1_70 Al15 O1_68 C1_68 -67.0(15) . . . .
O1_69 Al15 O1_68 C1_68 54.3(15) . . . .
Al15 O1_68 C1_68 C2_68 -15.2(18) . . . .
Al15 O1_68 C1_68 C4_68 106.0(14) . . . .
Al15 O1_68 C1_68 C3_68 -135.1(12) . . . .
O1_68 C1_68 C2_68 F2_68 -74.3(11) . . . .
C4_68 C1_68 C2_68 F2_68 165.1(8) . . . .
C3_68 C1_68 C2_68 F2_68 46.4(11) . . . .
O1_68 C1_68 C2_68 F1_68 43.6(11) . . . .
C4_68 C1_68 C2_68 F1_68 -76.9(10) . . . .
C3_68 C1_68 C2_68 F1_68 164.4(8) . . . .
O1_68 C1_68 C2_68 F3_68 162.7(9) . . . .
C4_68 C1_68 C2_68 F3_68 42.1(11) . . . .
C3_68 C1_68 C2_68 F3_68 -76.6(11) . . . .
O1_68 C1_68 C3_68 F6_68 -74.9(10) . . . .
C2_68 C1_68 C3_68 F6_68 163.3(8) . . . .
C4_68 C1_68 C3_68 F6_68 44.0(11) . . . .
O1_68 C1_68 C3_68 F5_68 162.9(9) . . . .
C2_68 C1_68 C3_68 F5_68 41.1(11) . . . .
C4_68 C1_68 C3_68 F5_68 -78.2(11) . . . .
O1_68 C1_68 C3_68 F4_68 42.3(11) . . . .
C2_68 C1_68 C3_68 F4_68 -79.5(10) . . . .
C4_68 C1_68 C3_68 F4_68 161.2(9) . . . .
O1_68 C1_68 C4_68 F9_68 -75.7(11) . . . .
C2_68 C1_68 C4_68 F9_68 46.4(11) . . . .
C3_68 C1_68 C4_68 F9_68 164.8(9) . . . .
O1_68 C1_68 C4_68 F8_68 42.8(11) . . . .
C2_68 C1_68 C4_68 F8_68 165.0(8) . . . .
C3_68 C1_68 C4_68 F8_68 -76.6(10) . . . .
O1_68 C1_68 C4_68 F7_68 164.1(9) . . . .
C2_68 C1_68 C4_68 F7_68 -73.7(11) . . . .
C3_68 C1_68 C4_68 F7_68 44.7(12) . . . .
O1_68 Al15 O1_69 C1_69 -165.5(15) . . . .
O1_67 Al15 O1_69 C1_69 77.9(16) . . . .
O1_70 Al15 O1_69 C1_69 -40.6(17) . . . .
Al15 O1_69 C1_69 C3_69 64.1(18) . . . .
Al15 O1_69 C1_69 C2_69 -175.1(13) . . . .
Al15 O1_69 C1_69 C4_69 -55.3(19) . . . .
O1_69 C1_69 C2_69 F3_69 163.8(10) . . . .
C3_69 C1_69 C2_69 F3_69 -74.8(13) . . . .
C4_69 C1_69 C2_69 F3_69 42.9(13) . . . .
O1_69 C1_69 C2_69 F1_69 40.0(13) . . . .
C3_69 C1_69 C2_69 F1_69 161.5(10) . . . .
C4_69 C1_69 C2_69 F1_69 -80.9(12) . . . .
O1_69 C1_69 C2_69 F2_69 -75.6(11) . . . .
C3_69 C1_69 C2_69 F2_69 45.8(12) . . . .
C4_69 C1_69 C2_69 F2_69 163.5(9) . . . .
O1_69 C1_69 C3_69 F4_69 40.5(14) . . . .
C2_69 C1_69 C3_69 F4_69 -79.6(12) . . . .
C4_69 C1_69 C3_69 F4_69 161.9(11) . . . .
O1_69 C1_69 C3_69 F5_69 163.0(10) . . . .
C2_69 C1_69 C3_69 F5_69 42.9(13) . . . .
C4_69 C1_69 C3_69 F5_69 -75.7(12) . . . .
O1_69 C1_69 C3_69 F6_69 -77.6(12) . . . .
C2_69 C1_69 C3_69 F6_69 162.3(10) . . . .
C4_69 C1_69 C3_69 F6_69 43.8(12) . . . .
O1_69 C1_69 C4_69 F8_69 42.2(13) . . . .
C3_69 C1_69 C4_69 F8_69 -79.2(11) . . . .
C2_69 C1_69 C4_69 F8_69 161.7(10) . . . .
O1_69 C1_69 C4_69 F7_69 164.9(10) . . . .
C3_69 C1_69 C4_69 F7_69 43.6(13) . . . .
C2_69 C1_69 C4_69 F7_69 -75.6(12) . . . .
O1_69 C1_69 C4_69 F9_69 -75.6(11) . . . .
C3_69 C1_69 C4_69 F9_69 163.0(9) . . . .
C2_69 C1_69 C4_69 F9_69 43.9(12) . . . .
O1_68 Al15 O1_70 C1_70 -85.7(15) . . . .
O1_67 Al15 O1_70 C1_70 32.8(16) . . . .
O1_69 Al15 O1_70 C1_70 153.3(14) . . . .
Al15 O1_70 C1_70 C3_70 -70.3(17) . . . .
Al15 O1_70 C1_70 C2_70 166.0(12) . . . .
Al15 O1_70 C1_70 C4_70 50.7(18) . . . .
O1_70 C1_70 C2_70 F1_70 -37.7(14) . . . .
C3_70 C1_70 C2_70 F1_70 -161.2(11) . . . .
C4_70 C1_70 C2_70 F1_70 82.2(12) . . . .
O1_70 C1_70 C2_70 F3_70 -170.1(10) . . . .
C3_70 C1_70 C2_70 F3_70 66.4(13) . . . .
C4_70 C1_70 C2_70 F3_70 -50.3(13) . . . .
O1_70 C1_70 C2_70 F2_70 75.8(11) . . . .
C3_70 C1_70 C2_70 F2_70 -47.7(12) . . . .
C4_70 C1_70 C2_70 F2_70 -164.4(9) . . . .
O1_70 C1_70 C3_70 F4_70 -33.6(13) . . . .
C2_70 C1_70 C3_70 F4_70 87.8(12) . . . .
C4_70 C1_70 C3_70 F4_70 -157.2(10) . . . .
O1_70 C1_70 C3_70 F5_70 -153.0(10) . . . .
C2_70 C1_70 C3_70 F5_70 -31.7(14) . . . .
C4_70 C1_70 C3_70 F5_70 83.4(12) . . . .
O1_70 C1_70 C3_70 F6_70 83.3(11) . . . .
C2_70 C1_70 C3_70 F6_70 -155.4(9) . . . .
C4_70 C1_70 C3_70 F6_70 -40.3(11) . . . .
O1_70 C1_70 C4_70 F9_70 -37.5(13) . . . .
C3_70 C1_70 C4_70 F9_70 85.8(11) . . . .
C2_70 C1_70 C4_70 F9_70 -154.5(10) . . . .
O1_70 C1_70 C4_70 F7_70 -159.0(9) . . . .
C3_70 C1_70 C4_70 F7_70 -35.7(12) . . . .
C2_70 C1_70 C4_70 F7_70 84.0(11) . . . .
O1_70 C1_70 C4_70 F8_70 79.8(11) . . . .
C3_70 C1_70 C4_70 F8_70 -156.9(9) . . . .
C2_70 C1_70 C4_70 F8_70 -37.2(11) . . . .
O1_73 Al16 O1_71 C1_71 -146(2) . . . .
O1_74 Al16 O1_71 C1_71 94(2) . . . .
O1_72 Al16 O1_71 C1_71 -26(2) . . . .
Al16 O1_71 C1_71 C4_71 34(3) . . . .
Al16 O1_71 C1_71 C3_71 152.7(18) . . . .
Al16 O1_71 C1_71 C2_71 -90(2) . . . .
O1_71 C1_71 C2_71 F3_71 166.5(10) . . . .
C4_71 C1_71 C2_71 F3_71 41.2(12) . . . .
C3_71 C1_71 C2_71 F3_71 -74.2(12) . . . .
O1_71 C1_71 C2_71 F1_71 46.8(12) . . . .
C4_71 C1_71 C2_71 F1_71 -78.5(11) . . . .
C3_71 C1_71 C2_71 F1_71 166.1(9) . . . .
O1_71 C1_71 C2_71 F2_71 -73.1(12) . . . .
C4_71 C1_71 C2_71 F2_71 161.5(9) . . . .
C3_71 C1_71 C2_71 F2_71 46.1(12) . . . .
O1_71 C1_71 C3_71 F4_71 47.4(13) . . . .
C4_71 C1_71 C3_71 F4_71 169.6(9) . . . .
C2_71 C1_71 C3_71 F4_71 -72.9(11) . . . .
O1_71 C1_71 C3_71 F6_71 -72.4(12) . . . .
C4_71 C1_71 C3_71 F6_71 49.7(12) . . . .
C2_71 C1_71 C3_71 F6_71 167.2(9) . . . .
O1_71 C1_71 C3_71 F5_71 166.4(10) . . . .
C4_71 C1_71 C3_71 F5_71 -71.5(12) . . . .
C2_71 C1_71 C3_71 F5_71 46.0(12) . . . .
O1_71 C1_71 C4_71 F8_71 160.2(11) . . . .
C3_71 C1_71 C4_71 F8_71 40.1(13) . . . .
C2_71 C1_71 C4_71 F8_71 -75.3(12) . . . .
O1_71 C1_71 C4_71 F9_71 -77.3(13) . . . .
C3_71 C1_71 C4_71 F9_71 162.6(9) . . . .
C2_71 C1_71 C4_71 F9_71 47.2(12) . . . .
O1_71 C1_71 C4_71 F7_71 39.8(13) . . . .
C3_71 C1_71 C4_71 F7_71 -80.3(11) . . . .
C2_71 C1_71 C4_71 F7_71 164.3(9) . . . .
O1_73 Al16 O1_72 C1_72 -88.9(16) . . . .
O1_74 Al16 O1_72 C1_72 32.4(17) . . . .
O1_71 Al16 O1_72 C1_72 153.4(15) . . . .
Al16 O1_72 C1_72 C4_72 -69.6(18) . . . .
Al16 O1_72 C1_72 C2_72 50.3(19) . . . .
Al16 O1_72 C1_72 C3_72 171.1(12) . . . .
O1_72 C1_72 C2_72 F2_72 -163.6(10) . . . .
C4_72 C1_72 C2_72 F2_72 -42.1(12) . . . .
C3_72 C1_72 C2_72 F2_72 76.9(12) . . . .
O1_72 C1_72 C2_72 F1_72 73.4(12) . . . .
C4_72 C1_72 C2_72 F1_72 -165.1(9) . . . .
C3_72 C1_72 C2_72 F1_72 -46.1(12) . . . .
O1_72 C1_72 C2_72 F3_72 -43.9(13) . . . .
C4_72 C1_72 C2_72 F3_72 77.5(11) . . . .
C3_72 C1_72 C2_72 F3_72 -163.4(9) . . . .
O1_72 C1_72 C3_72 F5_72 -164.4(10) . . . .
C4_72 C1_72 C3_72 F5_72 75.4(12) . . . .
C2_72 C1_72 C3_72 F5_72 -42.9(13) . . . .
O1_72 C1_72 C3_72 F6_72 74.0(12) . . . .
C4_72 C1_72 C3_72 F6_72 -46.1(12) . . . .
C2_72 C1_72 C3_72 F6_72 -164.4(9) . . . .
O1_72 C1_72 C3_72 F4_72 -44.9(12) . . . .
C4_72 C1_72 C3_72 F4_72 -165.1(9) . . . .
C2_72 C1_72 C3_72 F4_72 76.7(11) . . . .
O1_72 C1_72 C4_72 F8_72 76.0(12) . . . .
C2_72 C1_72 C4_72 F8_72 -45.9(12) . . . .
C3_72 C1_72 C4_72 F8_72 -165.5(9) . . . .
O1_72 C1_72 C4_72 F9_72 -43.8(12) . . . .
C2_72 C1_72 C4_72 F9_72 -165.6(9) . . . .
C3_72 C1_72 C4_72 F9_72 74.7(11) . . . .
O1_72 C1_72 C4_72 F7_72 -162.6(9) . . . .
C2_72 C1_72 C4_72 F7_72 75.5(11) . . . .
C3_72 C1_72 C4_72 F7_72 -44.2(12) . . . .
O1_74 Al16 O1_73 C1_73 173.6(17) . . . .
O1_72 Al16 O1_73 C1_73 -65.2(19) . . . .
O1_71 Al16 O1_73 C1_73 52.5(19) . . . .
Al16 O1_73 C1_73 C4_73 -84.8(19) . . . .
Al16 O1_73 C1_73 C2_73 37(2) . . . .
Al16 O1_73 C1_73 C3_73 154.8(15) . . . .
O1_73 C1_73 C2_73 F3_73 -46.8(12) . . . .
C4_73 C1_73 C2_73 F3_73 73.4(11) . . . .
C3_73 C1_73 C2_73 F3_73 -163.3(9) . . . .
O1_73 C1_73 C2_73 F2_73 72.1(12) . . . .
C4_73 C1_73 C2_73 F2_73 -167.6(10) . . . .
C3_73 C1_73 C2_73 F2_73 -44.3(13) . . . .
O1_73 C1_73 C2_73 F1_73 -165.8(10) . . . .
C4_73 C1_73 C2_73 F1_73 -45.6(13) . . . .
C3_73 C1_73 C2_73 F1_73 77.7(12) . . . .
O1_73 C1_73 C3_73 F6_73 -46.7(13) . . . .
C4_73 C1_73 C3_73 F6_73 -164.6(10) . . . .
C2_73 C1_73 C3_73 F6_73 72.8(12) . . . .
O1_73 C1_73 C3_73 F5_73 -165.9(10) . . . .
C4_73 C1_73 C3_73 F5_73 76.3(13) . . . .
C2_73 C1_73 C3_73 F5_73 -46.3(12) . . . .
O1_73 C1_73 C3_73 F4_73 75.0(11) . . . .
C4_73 C1_73 C3_73 F4_73 -42.9(13) . . . .
C2_73 C1_73 C3_73 F4_73 -165.4(9) . . . .
O1_73 C1_73 C4_73 F7_73 80.4(12) . . . .
C2_73 C1_73 C4_73 F7_73 -41.6(13) . . . .
C3_73 C1_73 C4_73 F7_73 -162.8(10) . . . .
O1_73 C1_73 C4_73 F9_73 -159.6(10) . . . .
C2_73 C1_73 C4_73 F9_73 78.4(12) . . . .
C3_73 C1_73 C4_73 F9_73 -42.8(13) . . . .
O1_73 C1_73 C4_73 F8_73 -40.9(12) . . . .
C2_73 C1_73 C4_73 F8_73 -162.9(10) . . . .
C3_73 C1_73 C4_73 F8_73 75.9(12) . . . .
O1_73 Al16 O1_74 C1_74 -37.5(16) . . . .
O1_72 Al16 O1_74 C1_74 -160.5(14) . . . .
O1_71 Al16 O1_74 C1_74 81.1(15) . . . .
Al16 O1_74 C1_74 C2_74 40.7(18) . . . .
Al16 O1_74 C1_74 C3_74 -81.4(16) . . . .
Al16 O1_74 C1_74 C4_74 160.1(12) . . . .
O1_74 C1_74 C2_74 F1_74 -73.0(12) . . . .
C3_74 C1_74 C2_74 F1_74 49.8(12) . . . .
C4_74 C1_74 C2_74 F1_74 169.1(9) . . . .
O1_74 C1_74 C2_74 F3_74 166.3(9) . . . .
C3_74 C1_74 C2_74 F3_74 -71.0(11) . . . .
C4_74 C1_74 C2_74 F3_74 48.4(12) . . . .
O1_74 C1_74 C2_74 F2_74 45.3(12) . . . .
C3_74 C1_74 C2_74 F2_74 168.0(9) . . . .
C4_74 C1_74 C2_74 F2_74 -72.6(11) . . . .
O1_74 C1_74 C3_74 F6_74 170.5(10) . . . .
C2_74 C1_74 C3_74 F6_74 46.6(13) . . . .
C4_74 C1_74 C3_74 F6_74 -72.6(13) . . . .
O1_74 C1_74 C3_74 F5_74 -66.3(12) . . . .
C2_74 C1_74 C3_74 F5_74 169.8(10) . . . .
C4_74 C1_74 C3_74 F5_74 50.6(12) . . . .
O1_74 C1_74 C3_74 F4_74 50.0(13) . . . .
C2_74 C1_74 C3_74 F4_74 -73.9(11) . . . .
C4_74 C1_74 C3_74 F4_74 166.9(9) . . . .
O1_74 C1_74 C4_74 F7_74 168.6(9) . . . .
C2_74 C1_74 C4_74 F7_74 -70.0(12) . . . .
C3_74 C1_74 C4_74 F7_74 49.4(12) . . . .
O1_74 C1_74 C4_74 F8_74 47.3(12) . . . .
C2_74 C1_74 C4_74 F8_74 168.7(10) . . . .
C3_74 C1_74 C4_74 F8_74 -71.9(12) . . . .
O1_74 C1_74 C4_74 F9_74 -71.1(11) . . . .
C2_74 C1_74 C4_74 F9_74 50.3(11) . . . .
C3_74 C1_74 C4_74 F9_74 169.7(9) . . . .
C5_75 N1_75 C1_75 C2_75 0.7(19) . . . .
In1 N1_75 C1_75 C2_75 174.2(10) . . . .
N1_75 C1_75 C2_75 C3_75 -2(2) . . . .
C1_75 C2_75 C3_75 C4_75 2(2) . . . .
C2_75 C3_75 C4_75 C5_75 -2(2) . . . .
C1_75 N1_75 C5_75 C4_75 -0.7(18) . . . .
In1 N1_75 C5_75 C4_75 -174.1(9) . . . .
C1_75 N1_75 C5_75 C6_75 176.8(11) . . . .
In1 N1_75 C5_75 C6_75 3.4(14) . . . .
C3_75 C4_75 C5_75 N1_75 2(2) . . . .
C3_75 C4_75 C5_75 C6_75 -175.8(12) . . . .
C10_75 N2_75 C6_75 C7_75 4.2(18) . . . .
In1 N2_75 C6_75 C7_75 177.3(9) . . . .
C10_75 N2_75 C6_75 C5_75 -176.0(11) . . . .
In1 N2_75 C6_75 C5_75 -2.9(14) . . . .
N1_75 C5_75 C6_75 C7_75 179.6(12) . . . .
C4_75 C5_75 C6_75 C7_75 -3(2) . . . .
N1_75 C5_75 C6_75 N2_75 -0.2(16) . . . .
C4_75 C5_75 C6_75 N2_75 177.3(12) . . . .
N2_75 C6_75 C7_75 C8_75 -3.5(19) . . . .
C5_75 C6_75 C7_75 C8_75 176.7(12) . . . .
C6_75 C7_75 C8_75 C9_75 1(2) . . . .
C7_75 C8_75 C9_75 C10_75 1(2) . . . .
C6_75 N2_75 C10_75 C9_75 -2.5(18) . . . .
In1 N2_75 C10_75 C9_75 -175.2(10) . . . .
C8_75 C9_75 C10_75 N2_75 0(2) . . . .
C5_76 N1_76 C1_76 C2_76 -4(2) . . . .
In1 N1_76 C1_76 C2_76 -169.2(11) . . . .
N1_76 C1_76 C2_76 C3_76 4(2) . . . .
C1_76 C2_76 C3_76 C4_76 -3(2) . . . .
C2_76 C3_76 C4_76 C5_76 2(2) . . . .
C1_76 N1_76 C5_76 C4_76 2(2) . . . .
In1 N1_76 C5_76 C4_76 168.1(11) . . . .
C1_76 N1_76 C5_76 C6_76 -176.3(11) . . . .
In1 N1_76 C5_76 C6_76 -10.3(14) . . . .
C3_76 C4_76 C5_76 N1_76 -1(2) . . . .
C3_76 C4_76 C5_76 C6_76 177.0(13) . . . .
C10_76 N2_76 C6_76 C7_76 -0.9(18) . . . .
In1 N2_76 C6_76 C7_76 -176.8(9) . . . .
C10_76 N2_76 C6_76 C5_76 177.4(11) . . . .
In1 N2_76 C6_76 C5_76 1.5(14) . . . .
N1_76 C5_76 C6_76 N2_76 5.9(17) . . . .
C4_76 C5_76 C6_76 N2_76 -172.5(12) . . . .
N1_76 C5_76 C6_76 C7_76 -175.8(12) . . . .
C4_76 C5_76 C6_76 C7_76 6(2) . . . .
N2_76 C6_76 C7_76 C9_76 2(2) . . . .
C5_76 C6_76 C7_76 C9_76 -176.2(12) . . . .
C6_76 C7_76 C9_76 C8_76 -1(2) . . . .
C7_76 C9_76 C8_76 C10_76 0(2) . . . .
C6_76 N2_76 C10_76 C8_76 -0.8(19) . . . .
In1 N2_76 C10_76 C8_76 175.0(10) . . . .
C9_76 C8_76 C10_76 N2_76 1(2) . . . .
C5_77 N1_77 C1_77 C2_77 0.5(19) . . . .
In2 N1_77 C1_77 C2_77 165.3(10) . . . .
N1_77 C1_77 C2_77 C3_77 -1(2) . . . .
C1_77 C2_77 C3_77 C4_77 3(2) . . . .
C2_77 C3_77 C4_77 C5_77 -4.0(19) . . . .
C1_77 N1_77 C5_77 C4_77 -1.4(18) . . . .
In2 N1_77 C5_77 C4_77 -167.5(10) . . . .
C1_77 N1_77 C5_77 C6_77 179.0(11) . . . .
In2 N1_77 C5_77 C6_77 12.9(14) . . . .
C3_77 C4_77 C5_77 N1_77 3.2(19) . . . .
C3_77 C4_77 C5_77 C6_77 -177.3(12) . . . .
C10_77 N2_77 C6_77 C7_77 4.0(17) . . . .
In2 N2_77 C6_77 C7_77 -158.8(9) . . . .
C10_77 N2_77 C6_77 C5_77 -177.4(10) . . . .
In2 N2_77 C6_77 C5_77 19.9(14) . . . .
N1_77 C5_77 C6_77 N2_77 -22.2(16) . . . .
C4_77 C5_77 C6_77 N2_77 158.2(12) . . . .
N1_77 C5_77 C6_77 C7_77 156.4(12) . . . .
C4_77 C5_77 C6_77 C7_77 -23.2(19) . . . .
N2_77 C6_77 C7_77 C8_77 -4.5(19) . . . .
C5_77 C6_77 C7_77 C8_77 177.0(12) . . . .
C6_77 C7_77 C8_77 C9_77 2.2(19) . . . .
C7_77 C8_77 C9_77 C10_77 0.3(19) . . . .
C6_77 N2_77 C10_77 C9_77 -1.4(18) . . . .
In2 N2_77 C10_77 C9_77 159.6(10) . . . .
C8_77 C9_77 C10_77 N2_77 -0.8(19) . . . .
C5_78 N1_78 C1_78 C2_78 -5.0(18) . . . .
In3 N1_78 C1_78 C2_78 -171.2(9) . . . .
N1_78 C1_78 C2_78 C3_78 3.9(19) . . . .
C1_78 C2_78 C3_78 C4_78 -0.8(19) . . . .
C2_78 C3_78 C4_78 C5_78 -1(2) . . . .
C1_78 N1_78 C5_78 C4_78 2.8(19) . . . .
In3 N1_78 C5_78 C4_78 169.2(10) . . . .
C1_78 N1_78 C5_78 C6_78 -176.5(11) . . . .
In3 N1_78 C5_78 C6_78 -10.1(14) . . . .
C3_78 C4_78 C5_78 N1_78 0(2) . . . .
C3_78 C4_78 C5_78 C6_78 179.6(12) . . . .
C10_78 N2_78 C6_78 C7_78 1.1(18) . . . .
In3 N2_78 C6_78 C7_78 -176.7(9) . . . .
C10_78 N2_78 C6_78 C5_78 178.8(11) . . . .
In3 N2_78 C6_78 C5_78 1.0(15) . . . .
N1_78 C5_78 C6_78 N2_78 6.2(17) . . . .
C4_78 C5_78 C6_78 N2_78 -173.1(13) . . . .
N1_78 C5_78 C6_78 C7_78 -176.1(12) . . . .
C4_78 C5_78 C6_78 C7_78 5(2) . . . .
N2_78 C6_78 C7_78 C8_78 -3(2) . . . .
C5_78 C6_78 C7_78 C8_78 179.4(13) . . . .
C6_78 C7_78 C8_78 C9_78 4(2) . . . .
C7_78 C8_78 C9_78 C10_78 -4(2) . . . .
C8_78 C9_78 C10_78 N2_78 2(2) . . . .
C6_78 N2_78 C10_78 C9_78 -1.0(19) . . . .
In3 N2_78 C10_78 C9_78 176.7(10) . . . .
C5_79 N1_79 C1_79 C2_79 -1.6(19) . . . .
In4 N1_79 C1_79 C2_79 156.2(10) . . . .
N1_79 C1_79 C2_79 C3_79 -1(2) . . . .
C1_79 C2_79 C3_79 C4_79 3(2) . . . .
C2_79 C3_79 C4_79 C5_79 -3.0(19) . . . .
C1_79 N1_79 C5_79 C4_79 1.8(19) . . . .
In4 N1_79 C5_79 C4_79 -158.2(10) . . . .
C1_79 N1_79 C5_79 C6_79 -177.7(11) . . . .
In4 N1_79 C5_79 C6_79 22.3(14) . . . .
C3_79 C4_79 C5_79 N1_79 0(2) . . . .
C3_79 C4_79 C5_79 C6_79 179.9(12) . . . .
C10_79 N2_79 C6_79 C7_79 -2(2) . . . .
In4 N2_79 C6_79 C7_79 -173.0(11) . . . .
C10_79 N2_79 C6_79 C5_79 179.3(12) . . . .
In4 N2_79 C6_79 C5_79 8.3(15) . . . .
N1_79 C5_79 C6_79 N2_79 -20.8(17) . . . .
C4_79 C5_79 C6_79 N2_79 159.6(12) . . . .
N1_79 C5_79 C6_79 C7_79 160.5(13) . . . .
C4_79 C5_79 C6_79 C7_79 -19(2) . . . .
N2_79 C6_79 C7_79 C8_79 2(2) . . . .
C5_79 C6_79 C7_79 C8_79 -179.3(13) . . . .
C6_79 C7_79 C8_79 C9_79 0(2) . . . .
C7_79 C8_79 C9_79 C10_79 -3(2) . . . .
C6_79 N2_79 C10_79 C9_79 -1(2) . . . .
In4 N2_79 C10_79 C9_79 169.6(11) . . . .
C8_79 C9_79 C10_79 N2_79 3(2) . . . .
C5_80 N1_80 C1_80 C2_80 -3.7(19) . . . .
In3 N1_80 C1_80 C2_80 172.1(10) . . . .
N1_80 C1_80 C2_80 C3_80 2(2) . . . .
C1_80 C2_80 C3_80 C4_80 0(2) . . . .
C2_80 C3_80 C4_80 C5_80 0(2) . . . .
C1_80 N1_80 C5_80 C4_80 3.4(18) . . . .
In3 N1_80 C5_80 C4_80 -172.6(10) . . . .
C1_80 N1_80 C5_80 C6_80 -178.4(11) . . . .
In3 N1_80 C5_80 C6_80 5.6(14) . . . .
C3_80 C4_80 C5_80 N1_80 -2(2) . . . .
C3_80 C4_80 C5_80 C6_80 -179.8(13) . . . .
C10_80 N2_80 C6_80 C7_80 -0.7(19) . . . .
In3 N2_80 C6_80 C7_80 167.9(10) . . . .
C10_80 N2_80 C6_80 C5_80 -177.0(11) . . . .
In3 N2_80 C6_80 C5_80 -8.5(14) . . . .
N1_80 C5_80 C6_80 N2_80 2.1(17) . . . .
C4_80 C5_80 C6_80 N2_80 -179.7(12) . . . .
N1_80 C5_80 C6_80 C7_80 -174.2(12) . . . .
C4_80 C5_80 C6_80 C7_80 4(2) . . . .
N2_80 C6_80 C7_80 C8_80 1(2) . . . .
C5_80 C6_80 C7_80 C8_80 177.6(13) . . . .
C6_80 C7_80 C8_80 C9_80 0(2) . . . .
C7_80 C8_80 C9_80 C10_80 -2(2) . . . .
C6_80 N2_80 C10_80 C9_80 -2(2) . . . .
In3 N2_80 C10_80 C9_80 -169.3(10) . . . .
C8_80 C9_80 C10_80 N2_80 3(2) . . . .
C5_81 N1_81 C1_81 C2_81 3(2) . . . .
In5 N1_81 C1_81 C2_81 -168.7(10) . . . .
N1_81 C1_81 C2_81 C3_81 -3(2) . . . .
C1_81 C2_81 C3_81 C4_81 1(2) . . . .
C2_81 C3_81 C4_81 C5_81 0(2) . . . .
C1_81 N1_81 C5_81 C4_81 -1.7(19) . . . .
In5 N1_81 C5_81 C4_81 170.4(10) . . . .
C1_81 N1_81 C5_81 C6_81 -178.1(12) . . . .
In5 N1_81 C5_81 C6_81 -6.0(15) . . . .
C3_81 C4_81 C5_81 N1_81 0(2) . . . .
C3_81 C4_81 C5_81 C6_81 176.4(13) . . . .
C10_81 N2_81 C6_81 C7_81 -6.0(18) . . . .
In5 N2_81 C6_81 C7_81 163.6(9) . . . .
C10_81 N2_81 C6_81 C5_81 171.6(11) . . . .
In5 N2_81 C6_81 C5_81 -18.8(14) . . . .
N1_81 C5_81 C6_81 N2_81 16.7(17) . . . .
C4_81 C5_81 C6_81 N2_81 -159.7(12) . . . .
N1_81 C5_81 C6_81 C7_81 -165.8(12) . . . .
C4_81 C5_81 C6_81 C7_81 18(2) . . . .
N2_81 C6_81 C7_81 C8_81 4.2(19) . . . .
C5_81 C6_81 C7_81 C8_81 -173.1(12) . . . .
C6_81 C7_81 C8_81 C9_81 0(2) . . . .
C7_81 C8_81 C9_81 C10_81 -2(2) . . . .
C6_81 N2_81 C10_81 C9_81 3.7(19) . . . .
In5 N2_81 C10_81 C9_81 -165.0(10) . . . .
C8_81 C9_81 C10_81 N2_81 0(2) . . . .
C5_82 N1_82 C1_82 C2_82 -1.2(19) . . . .
In5 N1_82 C1_82 C2_82 -173.7(10) . . . .
N1_82 C1_82 C2_82 C3_82 0(2) . . . .
C1_82 C2_82 C3_82 C4_82 1(2) . . . .
C2_82 C3_82 C4_82 C5_82 -1.1(19) . . . .
C1_82 N1_82 C5_82 C4_82 1.2(18) . . . .
In5 N1_82 C5_82 C4_82 173.8(9) . . . .
C1_82 N1_82 C5_82 C6_82 -175.9(11) . . . .
In5 N1_82 C5_82 C6_82 -3.2(14) . . . .
C3_82 C4_82 C5_82 N1_82 -0.1(19) . . . .
C3_82 C4_82 C5_82 C6_82 176.9(12) . . . .
C10_82 N2_82 C6_82 C7_82 -3.7(17) . . . .
In5 N2_82 C6_82 C7_82 179.3(9) . . . .
C10_82 N2_82 C6_82 C5_82 176.6(11) . . . .
In5 N2_82 C6_82 C5_82 -0.3(14) . . . .
N1_82 C5_82 C6_82 N2_82 2.3(16) . . . .
C4_82 C5_82 C6_82 N2_82 -174.8(12) . . . .
N1_82 C5_82 C6_82 C7_82 -177.4(11) . . . .
C4_82 C5_82 C6_82 C7_82 5.6(19) . . . .
N2_82 C6_82 C7_82 C8_82 3.0(18) . . . .
C5_82 C6_82 C7_82 C8_82 -177.4(12) . . . .
C6_82 C7_82 C8_82 C9_82 -0.8(19) . . . .
C7_82 C8_82 C9_82 C10_82 -0.6(19) . . . .
C6_82 N2_82 C10_82 C9_82 2.4(18) . . . .
In5 N2_82 C10_82 C9_82 179.1(9) . . . .
C8_82 C9_82 C10_82 N2_82 -0.2(19) . . . .
C5_83 N1_83 C1_83 C2_83 1.8(19) . . . .
In8 N1_83 C1_83 C2_83 -160.9(9) . . . .
N1_83 C1_83 C2_83 C3_83 -1.4(19) . . . .
C1_83 C2_83 C3_83 C4_83 1(2) . . . .
C2_83 C3_83 C4_83 C5_83 -2(2) . . . .
C1_83 N1_83 C5_83 C4_83 -2.2(19) . . . .
In8 N1_83 C5_83 C4_83 161.7(10) . . . .
C1_83 N1_83 C5_83 C6_83 179.8(11) . . . .
In8 N1_83 C5_83 C6_83 -16.3(13) . . . .
C3_83 C4_83 C5_83 N1_83 2(2) . . . .
C3_83 C4_83 C5_83 C6_83 180.0(12) . . . .
C10_83 N2_83 C6_83 C7_83 -0.2(17) . . . .
In8 N2_83 C6_83 C7_83 160.0(9) . . . .
C10_83 N2_83 C6_83 C5_83 178.3(10) . . . .
In8 N2_83 C6_83 C5_83 -21.5(13) . . . .
N1_83 C5_83 C6_83 N2_83 25.7(15) . . . .
C4_83 C5_83 C6_83 N2_83 -152.2(13) . . . .
N1_83 C5_83 C6_83 C7_83 -155.9(13) . . . .
C4_83 C5_83 C6_83 C7_83 26.2(18) . . . .
N2_83 C6_83 C7_83 C8_83 -0.8(19) . . . .
C5_83 C6_83 C7_83 C8_83 -179.1(11) . . . .
C6_83 C7_83 C8_83 C9_83 0(2) . . . .
C7_83 C8_83 C9_83 C10_83 0.7(19) . . . .
C8_83 C9_83 C10_83 N2_83 -1.8(19) . . . .
C6_83 N2_83 C10_83 C9_83 1.5(18) . . . .
In8 N2_83 C10_83 C9_83 -157.0(10) . . . .
C5_84 N1_84 C1_84 C2_84 2(2) . . . .
In6 N1_84 C1_84 C2_84 -160.5(11) . . . .
N1_84 C1_84 C2_84 C3_84 -3(2) . . . .
C1_84 C2_84 C3_84 C4_84 4(2) . . . .
C2_84 C3_84 C4_84 C5_84 -3(2) . . . .
C1_84 N1_84 C5_84 C4_84 -1.3(18) . . . .
In6 N1_84 C5_84 C4_84 162.8(10) . . . .
C1_84 N1_84 C5_84 C6_84 -178.8(11) . . . .
In6 N1_84 C5_84 C6_84 -14.7(14) . . . .
C3_84 C4_84 C5_84 N1_84 2(2) . . . .
C3_84 C4_84 C5_84 C6_84 179.0(12) . . . .
C10_84 N2_84 C6_84 C7_84 3.0(19) . . . .
In6 N2_84 C6_84 C7_84 162.2(10) . . . .
C10_84 N2_84 C6_84 C5_84 179.6(11) . . . .
In6 N2_84 C6_84 C5_84 -21.2(13) . . . .
N1_84 C5_84 C6_84 C7_84 -159.1(14) . . . .
C4_84 C5_84 C6_84 C7_84 23.5(17) . . . .
N1_84 C5_84 C6_84 N2_84 24.3(15) . . . .
C4_84 C5_84 C6_84 N2_84 -153.1(13) . . . .
N2_84 C6_84 C7_84 C8_84 -4(2) . . . .
C5_84 C6_84 C7_84 C8_84 179.4(11) . . . .
C6_84 C7_84 C8_84 C9_84 2.8(19) . . . .
C7_84 C8_84 C9_84 C10_84 0(2) . . . .
C6_84 N2_84 C10_84 C9_84 0(2) . . . .
In6 N2_84 C10_84 C9_84 -157.2(11) . . . .
C8_84 C9_84 C10_84 N2_84 -1(2) . . . .
C5_85 N1_85 C1_85 C2_85 2.1(18) . . . .
In7 N1_85 C1_85 C2_85 -179.0(9) . . . .
N1_85 C1_85 C2_85 C3_85 0.3(19) . . . .
C1_85 C2_85 C3_85 C4_85 -3.1(19) . . . .
C2_85 C3_85 C4_85 C5_85 3.4(19) . . . .
C1_85 N1_85 C5_85 C4_85 -1.8(18) . . . .
In7 N1_85 C5_85 C4_85 179.3(9) . . . .
C1_85 N1_85 C5_85 C6_85 174.8(11) . . . .
In7 N1_85 C5_85 C6_85 -4.1(14) . . . .
C3_85 C4_85 C5_85 N1_85 -0.9(19) . . . .
C3_85 C4_85 C5_85 C6_85 -177.3(12) . . . .
C10_85 N2_85 C6_85 C7_85 1.5(17) . . . .
In7 N2_85 C6_85 C7_85 176.5(9) . . . .
C10_85 N2_85 C6_85 C5_85 -177.2(11) . . . .
In7 N2_85 C6_85 C5_85 -2.2(14) . . . .
N1_85 C5_85 C6_85 N2_85 4.1(16) . . . .
C4_85 C5_85 C6_85 N2_85 -179.2(11) . . . .
N1_85 C5_85 C6_85 C7_85 -174.5(12) . . . .
C4_85 C5_85 C6_85 C7_85 2(2) . . . .
N2_85 C6_85 C7_85 C8_85 -2.3(19) . . . .
C5_85 C6_85 C7_85 C8_85 176.3(12) . . . .
C6_85 C7_85 C8_85 C9_85 2(2) . . . .
C7_85 C8_85 C9_85 C10_85 -2(2) . . . .
C6_85 N2_85 C10_85 C9_85 -0.8(19) . . . .
In7 N2_85 C10_85 C9_85 -175.7(10) . . . .
C8_85 C9_85 C10_85 N2_85 1(2) . . . .
C5_86 N1_86 C1_86 C2_86 2.3(19) . . . .
In7 N1_86 C1_86 C2_86 -172.7(10) . . . .
N1_86 C1_86 C2_86 C3_86 -2(2) . . . .
C1_86 C2_86 C3_86 C4_86 1(2) . . . .
C2_86 C3_86 C4_86 C5_86 0(2) . . . .
C1_86 N1_86 C5_86 C4_86 -1.6(18) . . . .
In7 N1_86 C5_86 C4_86 173.6(9) . . . .
C1_86 N1_86 C5_86 C6_86 -179.3(11) . . . .
In7 N1_86 C5_86 C6_86 -4.1(14) . . . .
C3_86 C4_86 C5_86 N1_86 1(2) . . . .
C3_86 C4_86 C5_86 C6_86 178.2(13) . . . .
C10_86 N2_86 C6_86 C7_86 -6(2) . . . .
In7 N2_86 C6_86 C7_86 164.9(10) . . . .
C10_86 N2_86 C6_86 C5_86 169.9(12) . . . .
In7 N2_86 C6_86 C5_86 -19.2(14) . . . .
N1_86 C5_86 C6_86 N2_86 15.4(16) . . . .
C4_86 C5_86 C6_86 N2_86 -162.2(12) . . . .
N1_86 C5_86 C6_86 C7_86 -168.5(12) . . . .
C4_86 C5_86 C6_86 C7_86 13.9(19) . . . .
N2_86 C6_86 C7_86 C8_86 4(2) . . . .
C5_86 C6_86 C7_86 C8_86 -172.2(13) . . . .
C6_86 C7_86 C8_86 C9_86 0(2) . . . .
C7_86 C8_86 C9_86 C10_86 -2(2) . . . .
C6_86 N2_86 C10_86 C9_86 4(2) . . . .
In7 N2_86 C10_86 C9_86 -166.4(10) . . . .
C8_86 C9_86 C10_86 N2_86 0(2) . . . .
C5_87 N1_87 C1_87 C2_87 2.9(19) . . . .
In9 N1_87 C1_87 C2_87 166.9(10) . . . .
N1_87 C1_87 C2_87 C3_87 -3(2) . . . .
C1_87 C2_87 C3_87 C4_87 1(2) . . . .
C2_87 C3_87 C4_87 C5_87 2(2) . . . .
C1_87 N1_87 C5_87 C4_87 -0.2(18) . . . .
In9 N1_87 C5_87 C4_87 -164.9(10) . . . .
C1_87 N1_87 C5_87 C6_87 175.0(11) . . . .
In9 N1_87 C5_87 C6_87 10.3(14) . . . .
C3_87 C4_87 C5_87 N1_87 -2(2) . . . .
C3_87 C4_87 C5_87 C6_87 -177.0(13) . . . .
C10_87 N2_87 C6_87 C7_87 1.3(19) . . . .
In9 N2_87 C6_87 C7_87 177.2(10) . . . .
C10_87 N2_87 C6_87 C5_87 -176.0(11) . . . .
In9 N2_87 C6_87 C5_87 -0.1(15) . . . .
N1_87 C5_87 C6_87 N2_87 -6.8(17) . . . .
C4_87 C5_87 C6_87 N2_87 168.3(12) . . . .
N1_87 C5_87 C6_87 C7_87 175.9(12) . . . .
C4_87 C5_87 C6_87 C7_87 -9(2) . . . .
N2_87 C6_87 C7_87 C8_87 -2(2) . . . .
C5_87 C6_87 C7_87 C8_87 175.5(14) . . . .
C6_87 C7_87 C8_87 C9_87 1(2) . . . .
C7_87 C8_87 C9_87 C10_87 0(2) . . . .
C6_87 N2_87 C10_87 C9_87 0.0(19) . . . .
In9 N2_87 C10_87 C9_87 -175.8(10) . . . .
C8_87 C9_87 C10_87 N2_87 -1(2) . . . .
C5_88 N1_88 C1_88 C2_88 1.2(18) . . . .
In9 N1_88 C1_88 C2_88 -170.1(10) . . . .
N1_88 C1_88 C2_88 C3_88 0(2) . . . .
C1_88 C2_88 C3_88 C4_88 -1(2) . . . .
C2_88 C3_88 C4_88 C5_88 2(2) . . . .
C1_88 N1_88 C5_88 C4_88 -0.7(17) . . . .
In9 N1_88 C5_88 C4_88 170.9(9) . . . .
C1_88 N1_88 C5_88 C6_88 -178.8(11) . . . .
In9 N1_88 C5_88 C6_88 -7.3(14) . . . .
C3_88 C4_88 C5_88 N1_88 -0.8(19) . . . .
C3_88 C4_88 C5_88 C6_88 177.3(12) . . . .
C10_88 N2_88 C6_88 C7_88 -1.9(19) . . . .
In9 N2_88 C6_88 C7_88 -176.1(10) . . . .
C10_88 N2_88 C6_88 C5_88 177.5(12) . . . .
In9 N2_88 C6_88 C5_88 3.3(14) . . . .
N1_88 C5_88 C6_88 N2_88 2.4(17) . . . .
C4_88 C5_88 C6_88 N2_88 -175.7(12) . . . .
N1_88 C5_88 C6_88 C7_88 -178.2(13) . . . .
C4_88 C5_88 C6_88 C7_88 4(2) . . . .
N2_88 C6_88 C7_88 C8_88 3(2) . . . .
C5_88 C6_88 C7_88 C8_88 -176.8(15) . . . .
C6_88 C7_88 C8_88 C9_88 -3(3) . . . .
C7_88 C8_88 C9_88 C10_88 2(2) . . . .
C6_88 N2_88 C10_88 C9_88 1(2) . . . .
In9 N2_88 C10_88 C9_88 175.2(10) . . . .
C8_88 C9_88 C10_88 N2_88 -1(2) . . . .
C5_89 N1_89 C1_89 C2_89 0.7(19) . . . .
In12 N1_89 C1_89 C2_89 -165.3(10) . . . .
N1_89 C1_89 C2_89 C3_89 -3(2) . . . .
C1_89 C2_89 C3_89 C4_89 5(2) . . . .
C2_89 C3_89 C4_89 C5_89 -4(2) . . . .
C1_89 N1_89 C5_89 C4_89 0.2(18) . . . .
In12 N1_89 C5_89 C4_89 167.1(9) . . . .
C1_89 N1_89 C5_89 C6_89 179.9(11) . . . .
In12 N1_89 C5_89 C6_89 -13.2(14) . . . .
C3_89 C4_89 C5_89 N1_89 1(2) . . . .
C3_89 C4_89 C5_89 C6_89 -178.3(13) . . . .
C10_89 N2_89 C6_89 C7_89 0.9(17) . . . .
In12 N2_89 C6_89 C7_89 161.7(9) . . . .
C10_89 N2_89 C6_89 C5_89 178.1(11) . . . .
In12 N2_89 C6_89 C5_89 -21.1(14) . . . .
N1_89 C5_89 C6_89 C7_89 -159.8(12) . . . .
C4_89 C5_89 C6_89 C7_89 20(2) . . . .
N1_89 C5_89 C6_89 N2_89 23.1(17) . . . .
C4_89 C5_89 C6_89 N2_89 -157.1(12) . . . .
N2_89 C6_89 C7_89 C8_89 -2.1(18) . . . .
C5_89 C6_89 C7_89 C8_89 -179.1(12) . . . .
C6_89 C7_89 C8_89 C9_89 2.4(19) . . . .
C7_89 C8_89 C9_89 C10_89 -1.4(18) . . . .
C6_89 N2_89 C10_89 C9_89 0.0(19) . . . .
In12 N2_89 C10_89 C9_89 -159.1(10) . . . .
C8_89 C9_89 C10_89 N2_89 0.2(19) . . . .
C5_90 N1_90 C1_90 C2_90 -1.5(18) . . . .
In10 N1_90 C1_90 C2_90 -158.3(9) . . . .
N1_90 C1_90 C2_90 C3_90 3.2(19) . . . .
C1_90 C2_90 C3_90 C4_90 -2(2) . . . .
C2_90 C3_90 C4_90 C5_90 0(2) . . . .
C1_90 N1_90 C5_90 C4_90 -1.1(18) . . . .
In10 N1_90 C5_90 C4_90 157.5(10) . . . .
C1_90 N1_90 C5_90 C6_90 177.2(11) . . . .
In10 N1_90 C5_90 C6_90 -24.2(14) . . . .
C3_90 C4_90 C5_90 N1_90 2(2) . . . .
C3_90 C4_90 C5_90 C6_90 -176.1(14) . . . .
C10_90 N2_90 C6_90 C7_90 0.7(19) . . . .
In10 N2_90 C6_90 C7_90 165.0(10) . . . .
C10_90 N2_90 C6_90 C5_90 -179.1(12) . . . .
In10 N2_90 C6_90 C5_90 -14.8(15) . . . .
N1_90 C5_90 C6_90 N2_90 26.6(17) . . . .
C4_90 C5_90 C6_90 N2_90 -155.2(13) . . . .
N1_90 C5_90 C6_90 C7_90 -153.2(13) . . . .
C4_90 C5_90 C6_90 C7_90 25(2) . . . .
N2_90 C6_90 C7_90 C8_90 -2(2) . . . .
C5_90 C6_90 C7_90 C8_90 178.1(13) . . . .
C6_90 C7_90 C8_90 C9_90 1(2) . . . .
C7_90 C8_90 C9_90 C10_90 0(2) . . . .
C6_90 N2_90 C10_90 C9_90 0(2) . . . .
In10 N2_90 C10_90 C9_90 -162.3(11) . . . .
C8_90 C9_90 C10_90 N2_90 -1(2) . . . .
C5_91 N1_91 C1_91 C2_91 -1.0(19) . . . .
In11 N1_91 C1_91 C2_91 166.1(11) . . . .
N1_91 C1_91 C2_91 C3_91 0(2) . . . .
C1_91 C2_91 C3_91 C4_91 1(2) . . . .
C2_91 C3_91 C4_91 C5_91 0(2) . . . .
C3_91 C4_91 C5_91 N1_91 -1(2) . . . .
C3_91 C4_91 C5_91 C6_91 -176.9(13) . . . .
C1_91 N1_91 C5_91 C4_91 1.4(18) . . . .
In11 N1_91 C5_91 C4_91 -166.4(10) . . . .
C1_91 N1_91 C5_91 C6_91 177.8(11) . . . .
In11 N1_91 C5_91 C6_91 10.1(14) . . . .
C10_91 N2_91 C6_91 C7_91 3.0(19) . . . .
In11 N2_91 C6_91 C7_91 178.3(10) . . . .
C10_91 N2_91 C6_91 C5_91 -176.5(11) . . . .
In11 N2_91 C6_91 C5_91 -1.2(14) . . . .
C4_91 C5_91 C6_91 N2_91 170.6(12) . . . .
N1_91 C5_91 C6_91 N2_91 -5.8(16) . . . .
C4_91 C5_91 C6_91 C7_91 -9(2) . . . .
N1_91 C5_91 C6_91 C7_91 174.7(12) . . . .
N2_91 C6_91 C7_91 C8_91 -4(2) . . . .
C5_91 C6_91 C7_91 C8_91 175.4(12) . . . .
C6_91 C7_91 C8_91 C9_91 3(2) . . . .
C7_91 C8_91 C9_91 C10_91 -1(2) . . . .
C8_91 C9_91 C10_91 N2_91 0(2) . . . .
C6_91 N2_91 C10_91 C9_91 -1.0(19) . . . .
In11 N2_91 C10_91 C9_91 -176.2(10) . . . .
C5_92 N1_92 C1_92 C2_92 4(2) . . . .
In11 N1_92 C1_92 C2_92 171.7(10) . . . .
N1_92 C1_92 C2_92 C3_92 -3(2) . . . .
C1_92 C2_92 C3_92 C4_92 3(2) . . . .
C2_92 C3_92 C4_92 C5_92 -3(2) . . . .
C1_92 N1_92 C5_92 C4_92 -3.8(19) . . . .
In11 N1_92 C5_92 C4_92 -171.9(11) . . . .
C1_92 N1_92 C5_92 C6_92 175.9(11) . . . .
In11 N1_92 C5_92 C6_92 7.9(14) . . . .
C3_92 C4_92 C5_92 N1_92 3(2) . . . .
C3_92 C4_92 C5_92 C6_92 -176.5(14) . . . .
C10_92 N2_92 C6_92 C7_92 1.3(18) . . . .
In11 N2_92 C6_92 C7_92 171.7(9) . . . .
C10_92 N2_92 C6_92 C5_92 -176.6(12) . . . .
In11 N2_92 C6_92 C5_92 -6.3(14) . . . .
N1_92 C5_92 C6_92 N2_92 -1.1(17) . . . .
C4_92 C5_92 C6_92 N2_92 178.6(13) . . . .
N1_92 C5_92 C6_92 C7_92 -178.9(12) . . . .
C4_92 C5_92 C6_92 C7_92 1(2) . . . .
N2_92 C6_92 C7_92 C8_92 -1(2) . . . .
C5_92 C6_92 C7_92 C8_92 176.4(13) . . . .
C6_92 C7_92 C8_92 C9_92 0(2) . . . .
C7_92 C8_92 C9_92 C10_92 1(2) . . . .
C6_92 N2_92 C10_92 C9_92 0(2) . . . .
In11 N2_92 C10_92 C9_92 -169.9(11) . . . .
C8_92 C9_92 C10_92 N2_92 -1(2) . . . .
C5_93 N1_93 C1_93 C2_93 -6(2) . . . .
In13 N1_93 C1_93 C2_93 -168.8(10) . . . .
N1_93 C1_93 C2_93 C3_93 4(2) . . . .
C1_93 C2_93 C3_93 C4_93 0(2) . . . .
C2_93 C3_93 C4_93 C5_93 -2(2) . . . .
C1_93 N1_93 C5_93 C4_93 2.9(18) . . . .
In13 N1_93 C5_93 C4_93 166.9(10) . . . .
C1_93 N1_93 C5_93 C6_93 -172.7(11) . . . .
In13 N1_93 C5_93 C6_93 -8.7(14) . . . .
C3_93 C4_93 C5_93 N1_93 1(2) . . . .
C3_93 C4_93 C5_93 C6_93 176.4(13) . . . .
C10_93 N2_93 C6_93 C7_93 -2.7(18) . . . .
In13 N2_93 C6_93 C7_93 -177.7(9) . . . .
C10_93 N2_93 C6_93 C5_93 174.7(11) . . . .
In13 N2_93 C6_93 C5_93 -0.4(14) . . . .
N1_93 C5_93 C6_93 N2_93 6.2(17) . . . .
C4_93 C5_93 C6_93 N2_93 -169.2(12) . . . .
N1_93 C5_93 C6_93 C7_93 -176.4(12) . . . .
C4_93 C5_93 C6_93 C7_93 8.1(19) . . . .
N2_93 C6_93 C7_93 C8_93 3.3(19) . . . .
C5_93 C6_93 C7_93 C8_93 -173.9(12) . . . .
C6_93 C7_93 C8_93 C9_93 -2(2) . . . .
C7_93 C8_93 C9_93 C10_93 -1(2) . . . .
C6_93 N2_93 C10_93 C9_93 0.2(19) . . . .
In13 N2_93 C10_93 C9_93 175.1(10) . . . .
C8_93 C9_93 C10_93 N2_93 2(2) . . . .
C5_94 N1_94 C1_94 C2_94 -0.7(19) . . . .
In13 N1_94 C1_94 C2_94 173.8(10) . . . .
N1_94 C1_94 C2_94 C3_94 3(2) . . . .
C1_94 C2_94 C3_94 C4_94 -5(2) . . . .
C2_94 C3_94 C4_94 C5_94 5(2) . . . .
C1_94 N1_94 C5_94 C4_94 0.8(18) . . . .
In13 N1_94 C5_94 C4_94 -173.7(10) . . . .
C1_94 N1_94 C5_94 C6_94 177.0(11) . . . .
In13 N1_94 C5_94 C6_94 2.4(14) . . . .
C3_94 C4_94 C5_94 N1_94 -3(2) . . . .
C3_94 C4_94 C5_94 C6_94 -179.2(12) . . . .
C10_94 N2_94 C6_94 C7_94 5.5(19) . . . .
In13 N2_94 C6_94 C7_94 175.2(10) . . . .
C10_94 N2_94 C6_94 C5_94 -173.6(10) . . . .
In13 N2_94 C6_94 C5_94 -3.9(14) . . . .
N1_94 C5_94 C6_94 N2_94 1.0(16) . . . .
C4_94 C5_94 C6_94 N2_94 177.2(12) . . . .
N1_94 C5_94 C6_94 C7_94 -178.1(12) . . . .
C4_94 C5_94 C6_94 C7_94 -1.9(19) . . . .
N2_94 C6_94 C7_94 C8_94 -3(2) . . . .
C5_94 C6_94 C7_94 C8_94 175.6(13) . . . .
C6_94 C7_94 C8_94 C9_94 0(2) . . . .
C7_94 C8_94 C9_94 C10_94 2(2) . . . .
C6_94 N2_94 C10_94 C9_94 -4.1(18) . . . .
In13 N2_94 C10_94 C9_94 -173.7(10) . . . .
C8_94 C9_94 C10_94 N2_94 1(2) . . . .
C5_95 N1_95 C1_95 C2_95 0.3(19) . . . .
In14 N1_95 C1_95 C2_95 160.0(10) . . . .
N1_95 C1_95 C2_95 C3_95 -1(2) . . . .
C1_95 C2_95 C3_95 C4_95 0(2) . . . .
C2_95 C3_95 C4_95 C5_95 2.0(18) . . . .
C1_95 N1_95 C5_95 C4_95 2.1(18) . . . .
In14 N1_95 C5_95 C4_95 -160.0(10) . . . .
C1_95 N1_95 C5_95 C6_95 -178.5(11) . . . .
In14 N1_95 C5_95 C6_95 19.4(12) . . . .
C3_95 C4_95 C5_95 N1_95 -3.2(18) . . . .
C3_95 C4_95 C5_95 C6_95 177.4(11) . . . .
C10_95 N2_95 C6_95 C7_95 -1.5(17) . . . .
In14 N2_95 C6_95 C7_95 -160.9(9) . . . .
C10_95 N2_95 C6_95 C5_95 178.6(10) . . . .
In14 N2_95 C6_95 C5_95 19.2(13) . . . .
N1_95 C5_95 C6_95 N2_95 -26.6(15) . . . .
C4_95 C5_95 C6_95 N2_95 152.8(12) . . . .
N1_95 C5_95 C6_95 C7_95 153.5(13) . . . .
C4_95 C5_95 C6_95 C7_95 -27.1(17) . . . .
N2_95 C6_95 C7_95 C8_95 3(2) . . . .
C5_95 C6_95 C7_95 C8_95 -177.1(13) . . . .
C6_95 C7_95 C8_95 C9_95 -3(2) . . . .
C7_95 C8_95 C9_95 C10_95 1(2) . . . .
C6_95 N2_95 C10_95 C9_95 -0.5(19) . . . .
In14 N2_95 C10_95 C9_95 157.6(10) . . . .
C8_95 C9_95 C10_95 N2_95 1(2) . . . .
C5_96 N1_96 C1_96 C2_96 -0.4(19) . . . .
In16 N1_96 C1_96 C2_96 159.1(10) . . . .
N1_96 C1_96 C2_96 C3_96 -1(2) . . . .
C1_96 C2_96 C3_96 C4_96 1(2) . . . .
C2_96 C3_96 C4_96 C5_96 0(2) . . . .
C1_96 N1_96 C5_96 C4_96 0.9(19) . . . .
In16 N1_96 C5_96 C4_96 -160.1(11) . . . .
C1_96 N1_96 C5_96 C6_96 179.9(11) . . . .
In16 N1_96 C5_96 C6_96 18.8(15) . . . .
C3_96 C4_96 C5_96 N1_96 -1(2) . . . .
C3_96 C4_96 C5_96 C6_96 -179.4(13) . . . .
C10_96 N2_96 C6_96 C7_96 0(2) . . . .
In16 N2_96 C6_96 C7_96 -168.1(10) . . . .
C10_96 N2_96 C6_96 C5_96 179.3(13) . . . .
In16 N2_96 C6_96 C5_96 11.0(15) . . . .
N1_96 C5_96 C6_96 N2_96 -20.2(18) . . . .
C4_96 C5_96 C6_96 N2_96 158.7(12) . . . .
N1_96 C5_96 C6_96 C7_96 158.8(12) . . . .
C4_96 C5_96 C6_96 C7_96 -22(2) . . . .
N2_96 C6_96 C7_96 C8_96 1(2) . . . .
C5_96 C6_96 C7_96 C8_96 -177.8(13) . . . .
C6_96 C7_96 C8_96 C9_96 -2(2) . . . .
C7_96 C8_96 C9_96 C10_96 2(3) . . . .
C6_96 N2_96 C10_96 C9_96 0(2) . . . .
In16 N2_96 C10_96 C9_96 166.8(13) . . . .
C8_96 C9_96 C10_96 N2_96 -1(3) . . . .
C5_97 N1_97 C1_97 C2_97 -1(2) . . . .
In15 N1_97 C1_97 C2_97 164.3(11) . . . .
N1_97 C1_97 C2_97 C3_97 -4(2) . . . .
C1_97 C2_97 C3_97 C4_97 7(3) . . . .
C2_97 C3_97 C4_97 C5_97 -4(2) . . . .
C1_97 N1_97 C5_97 C4_97 4(2) . . . .
In15 N1_97 C5_97 C4_97 -162.5(11) . . . .
C1_97 N1_97 C5_97 C6_97 -172.3(11) . . . .
In15 N1_97 C5_97 C6_97 21.6(13) . . . .
C3_97 C4_97 C5_97 N1_97 -1(2) . . . .
C3_97 C4_97 C5_97 C6_97 174.4(13) . . . .
C10_97 N2_97 C6_97 C7_97 -6(2) . . . .
In15 N2_97 C6_97 C7_97 -179.8(10) . . . .
C10_97 N2_97 C6_97 C5_97 175.4(12) . . . .
In15 N2_97 C6_97 C5_97 1.8(15) . . . .
N1_97 C5_97 C6_97 N2_97 -15.5(16) . . . .
C4_97 C5_97 C6_97 N2_97 168.5(13) . . . .
N1_97 C5_97 C6_97 C7_97 166.1(13) . . . .
C4_97 C5_97 C6_97 C7_97 -10(2) . . . .
N2_97 C6_97 C7_97 C8_97 6(2) . . . .
C5_97 C6_97 C7_97 C8_97 -175.2(14) . . . .
C6_97 C7_97 C8_97 C9_97 -1(3) . . . .
C7_97 C8_97 C9_97 C10_97 -5(3) . . . .
C6_97 N2_97 C10_97 C9_97 1(2) . . . .
In15 N2_97 C10_97 C9_97 174.0(11) . . . .
C8_97 C9_97 C10_97 N2_97 5(2) . . . .
C5_98 N1_98 C1_98 C2_98 -2(2) . . . .
In15 N1_98 C1_98 C2_98 173.6(11) . . . .
N1_98 C1_98 C2_98 C3_98 6(2) . . . .
C1_98 C2_98 C3_98 C4_98 -5(2) . . . .
C2_98 C3_98 C4_98 C5_98 2(2) . . . .
C1_98 N1_98 C5_98 C4_98 -1.9(18) . . . .
In15 N1_98 C5_98 C4_98 -178.0(10) . . . .
C1_98 N1_98 C5_98 C6_98 176.9(11) . . . .
In15 N1_98 C5_98 C6_98 0.8(15) . . . .
C3_98 C4_98 C5_98 N1_98 2(2) . . . .
C3_98 C4_98 C5_98 C6_98 -176.5(12) . . . .
C10_98 N2_98 C6_98 C7_98 2.4(18) . . . .
In15 N2_98 C6_98 C7_98 -177.8(9) . . . .
C10_98 N2_98 C6_98 C5_98 -172.9(11) . . . .
In15 N2_98 C6_98 C5_98 6.8(13) . . . .
N1_98 C5_98 C6_98 N2_98 -5.2(17) . . . .
C4_98 C5_98 C6_98 N2_98 173.7(11) . . . .
N1_98 C5_98 C6_98 C7_98 179.9(13) . . . .
C4_98 C5_98 C6_98 C7_98 -1(2) . . . .
N2_98 C6_98 C7_98 C8_98 0(2) . . . .
C5_98 C6_98 C7_98 C8_98 174.4(13) . . . .
C6_98 C7_98 C8_98 C9_98 -1(2) . . . .
C7_98 C8_98 C9_98 C10_98 0(2) . . . .
C6_98 N2_98 C10_98 C9_98 -3.0(19) . . . .
In15 N2_98 C10_98 C9_98 177.3(9) . . . .
C8_98 C9_98 C10_98 N2_98 1(2) . . . .
