#------------------------------------------------------------------------------
#$Date: 2022-03-17 01:19:10 +0200 (Thu, 17 Mar 2022) $
#$Revision: 273744 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/66/1566627.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_1566627
loop_
_publ_author_name
'Onishi, Katsuto'
'Ohtani, Shunsuke'
'Kato, Kenichi'
'Fa, Shixin'
'Sakata, Yoko'
'Akine, Shigehisa'
'Ogasawara, Moe'
'Asakawa, Hitoshi'
'Nagano, Shusaku'
'Takashima, Yoshinori'
'Mizuno, Motohiro'
'Ogoshi, Tomoki'
_publ_section_title
;
 State- and water repellency-controllable molecular glass of
 pillar[5]arenes with fluoroalkyl groups by guest vapors
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D2SC00828A
_journal_year                    2022
_chemical_formula_moiety         C91H94F50O10
_chemical_formula_sum            'C91 H94 F50 O10'
_chemical_formula_weight         2297.66
_chemical_name_common            pillar[5]arene-(C3H6C2F5)10_hex
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-11-10 deposited with the CCDC.	2022-03-03 downloaded from the CCDC.
;
_cell_angle_alpha                98.976(2)
_cell_angle_beta                 98.951(2)
_cell_angle_gamma                114.0170(17)
_cell_formula_units_Z            4
_cell_length_a                   20.9282(12)
_cell_length_b                   22.7403(13)
_cell_length_c                   24.2682(14)
_cell_measurement_reflns_used    151621
_cell_measurement_temperature    90
_cell_measurement_theta_max      67.078
_cell_measurement_theta_min      2.193
_cell_volume                     10108.6(10)
_computing_cell_refinement       'SAINT V8.37A/APEX3 (Bruker AXS Inc., 2015)'
_computing_data_collection       'Bruker Instrument Service V4.2.9 '
_computing_data_reduction        'SAINT V8.37A/APEX3 (Bruker AXS Inc., 2015)'
_computing_molecular_graphics    ORTEP-3
_computing_publication_material  ORTEP-3
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      90
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0681
_diffrn_reflns_av_unetI/netI     0.0710
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            151621
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        67.078
_diffrn_reflns_theta_max         67.078
_diffrn_reflns_theta_min         2.193
_diffrn_source                   'fine-focus rotating anode'
_exptl_absorpt_coefficient_mu    1.432
_exptl_absorpt_correction_T_max  0.7528
_exptl_absorpt_correction_T_min  0.5275
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2014/5 (Sheldrick, 1996 / Bruker AXS)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             4680
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.070
_refine_diff_density_max         0.672
_refine_diff_density_min         -0.469
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3378
_refine_ls_number_reflns         35639
_refine_ls_number_restraints     3622
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0950
_refine_ls_R_factor_gt           0.0784
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1076P)²+12.5996P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2190
_refine_ls_wR_factor_ref         0.2370
_reflns_Friedel_coverage         0.000
_reflns_number_gt                27431
_reflns_number_total             35639
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc00828a3.cif
_cod_data_source_block           ogoshi047
_cod_database_code               1566627
_shelx_shelxl_version_number     2014/7
_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   0.535
_shelx_estimated_absorpt_t_max   0.906
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
C1 C 0.14289(16) 0.08758(14) 0.14023(13) 0.0408(7) Uani 1 1 d . . . . .
H1 H 0.0907 0.0751 0.1289 0.049 Uiso 1 1 calc R U . . .
H2 H 0.1543 0.0606 0.1107 0.049 Uiso 1 1 calc R U . . .
C2 C 0.21723(18) 0.03519(16) 0.36418(14) 0.0451(7) Uani 1 1 d . . . . .
H3 H 0.1732 0.0139 0.3780 0.054 Uiso 1 1 calc R U . . .
H4 H 0.2398 0.0045 0.3605 0.054 Uiso 1 1 calc R U . . .
C3 C 0.41697(17) 0.29099(16) 0.52121(14) 0.0430(7) Uani 1 1 d . . . . .
H5 H 0.4630 0.2904 0.5376 0.052 Uiso 1 1 calc R U . . .
H6 H 0.3961 0.3004 0.5535 0.052 Uiso 1 1 calc R U . . .
C4 C 0.47370(16) 0.50279(14) 0.39964(13) 0.0409(7) Uani 1 1 d . . . . .
H7 H 0.5258 0.5270 0.4015 0.049 Uiso 1 1 calc R U . . .
H8 H 0.4576 0.5350 0.4171 0.049 Uiso 1 1 calc R U . . .
C5 C 0.31282(16) 0.37157(14) 0.16015(13) 0.0392(6) Uani 1 1 d . . . . .
H9 H 0.3471 0.3780 0.1352 0.047 Uiso 1 1 calc R U . . .
H10 H 0.2808 0.3916 0.1475 0.047 Uiso 1 1 calc R U . . .
C6 C 0.16048(16) 0.07272(14) 0.19796(13) 0.0396(7) Uani 1 1 d . . . . .
C7 C 0.11961(16) 0.07337(14) 0.23843(14) 0.0413(7) Uani 1 1 d D . . . .
C8 C 0.13767(16) 0.06012(14) 0.29117(13) 0.0403(7) Uani 1 1 d . . . . .
H11 H 0.1087 0.0593 0.3178 0.048 Uiso 1 1 calc R U . . .
C9 C 0.19693(17) 0.04807(14) 0.30565(13) 0.0414(7) Uani 1 1 d . . . . .
C10 C 0.23929(17) 0.04951(15) 0.26625(14) 0.0423(7) Uani 1 1 d . . . . .
C11 C 0.21990(17) 0.06045(14) 0.21263(13) 0.0420(7) Uani 1 1 d . . . . .
H12 H 0.2479 0.0595 0.1855 0.050 Uiso 1 1 calc R U . . .
C12 C 0.26911(17) 0.09952(15) 0.40708(13) 0.0421(7) Uani 1 1 d . . . . .
C13 C 0.24378(17) 0.13832(16) 0.43920(13) 0.0414(7) Uani 1 1 d . . . . .
C14 C 0.29138(17) 0.19874(16) 0.47628(13) 0.0420(7) Uani 1 1 d . . . . .
H13 H 0.2730 0.2241 0.4979 0.050 Uiso 1 1 calc R U . . .
C15 C 0.36573(17) 0.22337(16) 0.48271(13) 0.0411(7) Uani 1 1 d . . . . .
C16 C 0.39103(17) 0.18414(16) 0.45127(14) 0.0430(7) Uani 1 1 d . . . . .
C17 C 0.34304(18) 0.12311(16) 0.41422(14) 0.0439(7) Uani 1 1 d . . . . .
H14 H 0.3613 0.0971 0.3934 0.053 Uiso 1 1 calc R U . . .
C18 C 0.43236(16) 0.34653(15) 0.48991(13) 0.0405(7) Uani 1 1 d . . . . .
C19 C 0.38571(16) 0.37592(15) 0.48277(13) 0.0392(6) Uani 1 1 d . . . . .
C20 C 0.40161(16) 0.42801(14) 0.45544(13) 0.0398(7) Uani 1 1 d . . . . .
H15 H 0.3708 0.4492 0.4524 0.048 Uiso 1 1 calc R U . . .
C21 C 0.46152(16) 0.44949(14) 0.43261(13) 0.0381(6) Uani 1 1 d . . . . .
C22 C 0.50725(16) 0.41912(15) 0.43872(13) 0.0407(7) Uani 1 1 d . . . . .
C23 C 0.49278(16) 0.36850(15) 0.46777(13) 0.0399(6) Uani 1 1 d . . . . .
H16 H 0.5249 0.3488 0.4724 0.048 Uiso 1 1 calc R U . . .
C24 C 0.43170(15) 0.47119(14) 0.33725(13) 0.0375(6) Uani 1 1 d . . . . .
C25 C 0.36256(16) 0.46490(14) 0.31710(13) 0.0394(7) Uani 1 1 d D . . . .
C26 C 0.32558(16) 0.43433(14) 0.26025(13) 0.0387(6) Uani 1 1 d . . . . .
H17 H 0.2792 0.4320 0.2472 0.046 Uiso 1 1 calc R U . . .
C27 C 0.35455(16) 0.40696(14) 0.22171(13) 0.0381(6) Uani 1 1 d . . . . .
C28 C 0.42363(16) 0.41215(14) 0.24226(13) 0.0390(7) Uani 1 1 d . . . . .
C29 C 0.46148(16) 0.44434(14) 0.29864(13) 0.0394(7) Uani 1 1 d . . . . .
H18 H 0.5086 0.4483 0.3114 0.047 Uiso 1 1 calc R U . . .
C30 C 0.26748(16) 0.29745(14) 0.15280(12) 0.0387(6) Uani 1 1 d . . . . .
C31 C 0.19817(16) 0.27328(14) 0.16190(13) 0.0406(7) Uani 1 1 d . . . . .
C32 C 0.15758(16) 0.20567(15) 0.15655(13) 0.0403(7) Uani 1 1 d . . . . .
H19 H 0.1102 0.1900 0.1625 0.048 Uiso 1 1 calc R U . . .
C33 C 0.18551(16) 0.16069(14) 0.14262(12) 0.0379(6) Uani 1 1 d . . . . .
C34 C 0.25492(17) 0.18484(15) 0.13326(13) 0.0394(6) Uani 1 1 d . . . . .
C35 C 0.29491(16) 0.25263(15) 0.13821(12) 0.0391(6) Uani 1 1 d . . . . .
H20 H 0.3419 0.2683 0.1314 0.047 Uiso 1 1 calc R U . . .
O1 O 0.06273(16) 0.0882(2) 0.2221(2) 0.0440(9) Uani 0.907(3) 1 d D U P A 1
C36 C 0.0230(4) 0.0927(5) 0.2643(3) 0.0459(12) Uani 0.907(3) 1 d D U P A 1
H21 H 0.0556 0.1258 0.3001 0.055 Uiso 0.907(3) 1 calc R U P A 1
H22 H -0.0012 0.0492 0.2734 0.055 Uiso 0.907(3) 1 calc R U P A 1
C37 C -0.0319(4) 0.1139(4) 0.2381(3) 0.0530(15) Uani 0.907(3) 1 d D U P A 1
H23 H -0.0637 0.0806 0.2022 0.064 Uiso 0.907(3) 1 calc R U P A 1
H24 H -0.0068 0.1568 0.2282 0.064 Uiso 0.907(3) 1 calc R U P A 1
C38 C -0.0774(2) 0.1212(3) 0.2796(2) 0.0629(12) Uani 0.907(3) 1 d D U P A 1
H25 H -0.1051 0.0775 0.2872 0.075 Uiso 0.907(3) 1 calc R U P A 1
H26 H -0.0452 0.1520 0.3165 0.075 Uiso 0.907(3) 1 calc R U P A 1
C39 C -0.1284(2) 0.1469(2) 0.2558(2) 0.0692(12) Uani 0.907(3) 1 d D U P A 1
C40 C -0.1728(3) 0.1605(3) 0.2962(3) 0.0894(16) Uani 0.907(3) 1 d D U P A 1
F1 F -0.09313(15) 0.20487(14) 0.24115(18) 0.0963(11) Uani 0.907(3) 1 d D U P A 1
F2 F -0.17671(14) 0.10404(14) 0.20692(14) 0.0800(8) Uani 0.907(3) 1 d D U P A 1
F3 F -0.21869(18) 0.18057(17) 0.27092(19) 0.1074(12) Uani 0.907(3) 1 d D U P A 1
F4 F -0.21074(17) 0.10530(17) 0.31145(18) 0.0973(11) Uani 0.907(3) 1 d D U P A 1
F5 F -0.1299(2) 0.2062(2) 0.3431(2) 0.1211(15) Uani 0.907(3) 1 d D U P A 1
O2 O 0.0540(17) 0.077(3) 0.227(3) 0.0440(9) Uani 0.093(3) 1 d D U P A 2
C41 C 0.010(4) 0.083(5) 0.265(3) 0.053(15) Uani 0.093(3) 1 d D U P A 2
H27 H 0.0405 0.1088 0.3041 0.064 Uiso 0.093(3) 1 calc R U P A 2
H28 H -0.0239 0.0385 0.2679 0.064 Uiso 0.093(3) 1 calc R U P A 2
C42 C -0.031(4) 0.118(4) 0.241(2) 0.057(13) Uani 0.093(3) 1 d D U P A 2
H29 H -0.0481 0.1004 0.1987 0.068 Uiso 0.093(3) 1 calc R U P A 2
H30 H 0.0020 0.1659 0.2485 0.068 Uiso 0.093(3) 1 calc R U P A 2
C43 C -0.096(2) 0.111(2) 0.2658(13) 0.069(9) Uani 0.093(3) 1 d D U P A 2
H31 H -0.1296 0.1193 0.2390 0.082 Uiso 0.093(3) 1 calc R U P A 2
H32 H -0.1208 0.0641 0.2687 0.082 Uiso 0.093(3) 1 calc R U P A 2
C44 C -0.0767(11) 0.1554(11) 0.3232(10) 0.073(6) Uani 0.093(3) 1 d D U P A 2
C45 C -0.1416(11) 0.1521(11) 0.3473(10) 0.082(6) Uani 0.093(3) 1 d D U P A 2
F6 F -0.0345(12) 0.1411(13) 0.3622(10) 0.075(7) Uani 0.093(3) 1 d D U P A 2
F7 F -0.0375(14) 0.2201(11) 0.3241(13) 0.090(8) Uani 0.093(3) 1 d D U P A 2
F8 F -0.1817(12) 0.0920(10) 0.3513(11) 0.071(6) Uani 0.093(3) 1 d D U P A 2
F9 F -0.1174(12) 0.1926(13) 0.3977(10) 0.082(7) Uani 0.093(3) 1 d D U P A 2
F10 F -0.1828(17) 0.1723(19) 0.3160(14) 0.099(9) Uani 0.093(3) 1 d D U P A 2
O3 O 0.29873(13) 0.03943(12) 0.28399(10) 0.0497(5) Uani 1 1 d . . . . .
C46 C 0.34308(19) 0.0378(2) 0.24578(16) 0.0540(8) Uani 1 1 d . . . . .
H33 H 0.3613 0.0797 0.2330 0.065 Uiso 1 1 calc R U . . .
H34 H 0.3155 0.0004 0.2115 0.065 Uiso 1 1 calc R U . . .
C47 C 0.4049(2) 0.0293(2) 0.27852(17) 0.0581(9) Uani 1 1 d . . . . .
H35 H 0.4333 0.0681 0.3116 0.070 Uiso 1 1 calc R U . . .
H36 H 0.4371 0.0272 0.2531 0.070 Uiso 1 1 calc R U . . .
C48 C 0.3773(2) -0.03432(19) 0.30030(19) 0.0625(10) Uani 1 1 d . . . . .
H37 H 0.3400 -0.0348 0.3210 0.075 Uiso 1 1 calc R U . . .
H38 H 0.3544 -0.0732 0.2669 0.075 Uiso 1 1 calc R U . . .
C49 C 0.4354(2) -0.0406(2) 0.33936(18) 0.0604(9) Uani 1 1 d . . . . .
C50 C 0.4090(3) -0.1035(2) 0.3617(2) 0.0776(13) Uani 1 1 d . . . . .
F11 F 0.48691(17) -0.0409(2) 0.31313(14) 0.1057(10) Uani 1 1 d . . . . .
F12 F 0.46719(15) 0.01058(11) 0.38622(11) 0.0796(7) Uani 1 1 d . . . . .
F13 F 0.46320(17) -0.10691(14) 0.39580(14) 0.0991(10) Uani 1 1 d . . . . .
F14 F 0.3615(2) -0.10564(19) 0.3911(2) 0.1314(15) Uani 1 1 d . . . . .
F15 F 0.3788(2) -0.15562(15) 0.32000(18) 0.1451(18) Uani 1 1 d . . . . .
O4 O 0.16968(12) 0.11365(12) 0.43012(10) 0.0482(5) Uani 1 1 d . . . . .
C51 C 0.14263(17) 0.13036(17) 0.47749(15) 0.0483(8) Uani 1 1 d . . . . .
H39 H 0.1610 0.1791 0.4897 0.058 Uiso 1 1 calc R U . . .
H40 H 0.1588 0.1147 0.5104 0.058 Uiso 1 1 calc R U . . .
C52 C 0.06169(18) 0.09770(17) 0.45897(15) 0.0481(8) Uani 1 1 d . . . . .
H41 H 0.0437 0.0491 0.4453 0.058 Uiso 1 1 calc R U . . .
H42 H 0.0457 0.1145 0.4269 0.058 Uiso 1 1 calc R U . . .
C53 C 0.03139(17) 0.11267(17) 0.50929(15) 0.0480(8) Uani 1 1 d . . . . .
H43 H 0.0491 0.0967 0.5413 0.058 Uiso 1 1 calc R U . . .
H44 H 0.0504 0.1614 0.5226 0.058 Uiso 1 1 calc R U . . .
C54 C -0.04861(18) 0.08257(17) 0.49677(15) 0.0496(8) Uani 1 1 d . . . . .
C55 C -0.07872(18) 0.10014(19) 0.54664(17) 0.0574(9) Uani 1 1 d . . . . .
F16 F -0.07645(13) 0.10107(14) 0.45183(11) 0.0765(7) Uani 1 1 d . . . . .
F17 F -0.07825(12) 0.01539(10) 0.48035(10) 0.0673(6) Uani 1 1 d . . . . .
F18 F -0.14993(11) 0.06823(13) 0.53509(11) 0.0752(7) Uani 1 1 d . . . . .
F19 F -0.05379(13) 0.08290(16) 0.59218(10) 0.0832(8) Uani 1 1 d . . . . .
F20 F -0.06030(15) 0.16401(13) 0.56054(15) 0.0959(9) Uani 1 1 d . . . . .
O5 O 0.46469(12) 0.20810(11) 0.45593(10) 0.0467(5) Uani 1 1 d . . . . .
C56 C 0.49723(19) 0.17225(18) 0.48473(16) 0.0529(8) Uani 1 1 d . . . . .
H45 H 0.4728 0.1245 0.4650 0.064 Uiso 1 1 calc R U . . .
H46 H 0.4931 0.1770 0.5251 0.064 Uiso 1 1 calc R U . . .
C57 C 0.57532(19) 0.20164(18) 0.48262(17) 0.0548(8) Uani 1 1 d . . . . .
H47 H 0.6008 0.1822 0.5061 0.066 Uiso 1 1 calc R U . . .
H48 H 0.5979 0.2501 0.4994 0.066 Uiso 1 1 calc R U . . .
C58 C 0.5835(2) 0.18871(19) 0.42172(18) 0.0586(9) Uani 1 1 d . . . . .
H49 H 0.5715 0.1412 0.4084 0.070 Uiso 1 1 calc R U . . .
H50 H 0.5487 0.1980 0.3965 0.070 Uiso 1 1 calc R U . . .
C59 C 0.6574(3) 0.2296(2) 0.4160(3) 0.0781(14) Uani 1 1 d . . . . .
C60 C 0.6702(4) 0.2175(3) 0.3571(4) 0.108(2) Uani 1 1 d . . . . .
F21 F 0.67480(16) 0.29606(12) 0.43204(15) 0.0921(9) Uani 1 1 d . . . . .
F22 F 0.70845(14) 0.22248(15) 0.45251(18) 0.1060(11) Uani 1 1 d . . . . .
F23 F 0.7364(2) 0.25634(18) 0.3549(2) 0.1505(19) Uani 1 1 d . . . . .
F24 F 0.6591(2) 0.15449(17) 0.3400(2) 0.1393(17) Uani 1 1 d . . . . .
F25 F 0.6263(3) 0.2296(2) 0.32055(18) 0.1355(15) Uani 1 1 d . . . . .
O6 O 0.32481(11) 0.35087(11) 0.50349(9) 0.0435(5) Uani 1 1 d . . . . .
C61 C 0.27233(17) 0.37450(16) 0.48951(15) 0.0451(7) Uani 1 1 d . . . . .
H51 H 0.2672 0.3788 0.4493 0.054 Uiso 1 1 calc R U . . .
H52 H 0.2874 0.4186 0.5152 0.054 Uiso 1 1 calc R U . . .
C62 C 0.20142(17) 0.32524(17) 0.49703(15) 0.0483(8) Uani 1 1 d . . . . .
H53 H 0.2076 0.3194 0.5368 0.058 Uiso 1 1 calc R U . . .
H54 H 0.1858 0.2817 0.4702 0.058 Uiso 1 1 calc R U . . .
C63 C 0.14410(18) 0.34974(18) 0.48518(18) 0.0546(9) Uani 1 1 d . . . . .
H55 H 0.1577 0.3910 0.5146 0.066 Uiso 1 1 calc R U . . .
H56 H 0.1422 0.3605 0.4472 0.066 Uiso 1 1 calc R U . . .
C64 C 0.0703(2) 0.2990(2) 0.4859(2) 0.0643(10) Uani 1 1 d . . . . .
C65 C 0.0111(2) 0.3207(3) 0.4752(3) 0.0866(15) Uani 1 1 d . . . . .
F26 F 0.04895(12) 0.24221(11) 0.44496(12) 0.0748(7) Uani 1 1 d . . . . .
F27 F 0.07153(13) 0.28228(13) 0.53724(12) 0.0764(7) Uani 1 1 d . . . . .
F28 F -0.05173(14) 0.27524(16) 0.47765(19) 0.1153(12) Uani 1 1 d . . . . .
F29 F 0.02760(16) 0.37601(17) 0.51469(19) 0.1131(12) Uani 1 1 d . . . . .
F30 F 0.00407(15) 0.33481(16) 0.42411(18) 0.1104(11) Uani 1 1 d . . . . .
O7 O 0.56565(11) 0.44279(11) 0.41481(10) 0.0455(5) Uani 1 1 d . . . . .
C66 C 0.61432(17) 0.41400(16) 0.41815(15) 0.0459(7) Uani 1 1 d . . . . .
H57 H 0.5885 0.3656 0.4008 0.055 Uiso 1 1 calc R U . . .
H58 H 0.6388 0.4215 0.4587 0.055 Uiso 1 1 calc R U . . .
C67 C 0.66840(17) 0.44811(16) 0.38497(16) 0.0483(8) Uani 1 1 d . . . . .
H59 H 0.6907 0.4967 0.4012 0.058 Uiso 1 1 calc R U . . .
H60 H 0.6429 0.4390 0.3444 0.058 Uiso 1 1 calc R U . . .
C68 C 0.72752(18) 0.42499(17) 0.38702(17) 0.0513(8) Uani 1 1 d . . . . .
H61 H 0.7486 0.4283 0.4275 0.062 Uiso 1 1 calc R U . . .
H62 H 0.7061 0.3778 0.3659 0.062 Uiso 1 1 calc R U . . .
C69 C 0.78618(19) 0.46546(17) 0.36106(16) 0.0509(8) Uani 1 1 d . . . . .
C70 C 0.8481(2) 0.4474(2) 0.3626(2) 0.0639(10) Uani 1 1 d . . . . .
F31 F 0.75940(12) 0.46186(13) 0.30515(10) 0.0694(6) Uani 1 1 d . . . . .
F32 F 0.81580(12) 0.53114(10) 0.38841(12) 0.0741(7) Uani 1 1 d . . . . .
F33 F 0.89836(12) 0.48614(12) 0.34028(12) 0.0746(7) Uani 1 1 d . . . . .
F34 F 0.87827(15) 0.4513(2) 0.41563(14) 0.1043(10) Uani 1 1 d . . . . .
F35 F 0.82393(16) 0.38518(13) 0.33253(15) 0.0920(9) Uani 1 1 d . . . . .
O8 O 0.3366(3) 0.4923(5) 0.3585(3) 0.0421(11) Uani 0.867(5) 1 d D U P B 1
C71 C 0.2631(4) 0.4790(7) 0.3423(3) 0.0434(12) Uani 0.867(5) 1 d D U P B 1
H63 H 0.2320 0.4307 0.3285 0.052 Uiso 0.867(5) 1 calc R U P B 1
H64 H 0.2553 0.5006 0.3111 0.052 Uiso 0.867(5) 1 calc R U P B 1
C72 C 0.2457(4) 0.5070(6) 0.3954(3) 0.0464(12) Uani 0.867(5) 1 d D U P B 1
H65 H 0.2804 0.5544 0.4109 0.056 Uiso 0.867(5) 1 calc R U P B 1
H66 H 0.2506 0.4829 0.4253 0.056 Uiso 0.867(5) 1 calc R U P B 1
C73 C 0.1693(3) 0.5006(4) 0.3816(3) 0.0517(11) Uani 0.867(5) 1 d D U P B 1
H67 H 0.1648 0.5247 0.3518 0.062 Uiso 0.867(5) 1 calc R U P B 1
H68 H 0.1350 0.4532 0.3656 0.062 Uiso 0.867(5) 1 calc R U P B 1
C74 C 0.1496(3) 0.5271(2) 0.4328(2) 0.0565(11) Uani 0.867(5) 1 d D U P B 1
C75 C 0.0743(4) 0.5253(4) 0.4215(4) 0.0739(19) Uani 0.867(5) 1 d D U P B 1
F36 F 0.1518(3) 0.4921(3) 0.4735(3) 0.0691(11) Uani 0.867(5) 1 d D U P B 1
F37 F 0.19579(17) 0.59022(14) 0.45728(14) 0.0721(9) Uani 0.867(5) 1 d D U P B 1
F38 F 0.05885(19) 0.5470(2) 0.46780(15) 0.0954(12) Uani 0.867(5) 1 d D U P B 1
F39 F 0.06711(17) 0.55763(17) 0.38299(15) 0.0859(10) Uani 0.867(5) 1 d D U P B 1
F40 F 0.02401(15) 0.46051(18) 0.39904(16) 0.0826(10) Uani 0.867(5) 1 d D U P B 1
O9 O 0.326(3) 0.489(4) 0.351(2) 0.0421(11) Uani 0.133(5) 1 d D U P B 2
C76 C 0.253(3) 0.480(5) 0.337(2) 0.0434(12) Uani 0.133(5) 1 d D U P B 2
H69 H 0.2199 0.4317 0.3226 0.052 Uiso 0.133(5) 1 calc R U P B 2
H70 H 0.2463 0.5020 0.3061 0.052 Uiso 0.133(5) 1 calc R U P B 2
C77 C 0.235(3) 0.508(5) 0.390(2) 0.0464(12) Uani 0.133(5) 1 d D U P B 2
H71 H 0.2692 0.5555 0.4042 0.056 Uiso 0.133(5) 1 calc R U P B 2
H72 H 0.2411 0.4849 0.4198 0.056 Uiso 0.133(5) 1 calc R U P B 2
C78 C 0.159(2) 0.502(3) 0.3787(17) 0.0517(11) Uani 0.133(5) 1 d D U P B 2
H73 H 0.1531 0.5253 0.3485 0.062 Uiso 0.133(5) 1 calc R U P B 2
H74 H 0.1248 0.4543 0.3628 0.062 Uiso 0.133(5) 1 calc R U P B 2
C79 C 0.1360(14) 0.5271(12) 0.4280(13) 0.076(6) Uani 0.133(5) 1 d D U P B 2
C80 C 0.1725(13) 0.6029(12) 0.4521(12) 0.081(9) Uani 0.133(5) 1 d D U P B 2
F41 F 0.154(3) 0.506(2) 0.4753(18) 0.091(9) Uani 0.133(5) 1 d D U P B 2
F42 F 0.0640(14) 0.5093(13) 0.4186(14) 0.076(7) Uani 0.133(5) 1 d D U P B 2
F43 F 0.166(2) 0.6347(18) 0.4131(15) 0.206(19) Uiso 0.133(5) 1 d D . P B 2
F44 F 0.1432(18) 0.6179(17) 0.4924(14) 0.178(16) Uiso 0.133(5) 1 d D . P B 2
F45 F 0.2412(13) 0.6217(15) 0.4752(13) 0.126(11) Uiso 0.133(5) 1 d D . P B 2
O10 O 0.45043(11) 0.38330(10) 0.20322(9) 0.0424(5) Uani 1 1 d . . . . .
C81 C 0.51762(16) 0.38354(16) 0.22537(14) 0.0439(7) Uani 1 1 d . . . . .
H75 H 0.5146 0.3621 0.2580 0.053 Uiso 1 1 calc R U . . .
H76 H 0.5561 0.4297 0.2391 0.053 Uiso 1 1 calc R U . . .
C82 C 0.53402(18) 0.34567(17) 0.17719(15) 0.0500(8) Uani 1 1 d . . . . .
H77 H 0.5364 0.3672 0.1446 0.060 Uiso 1 1 calc R U . . .
H78 H 0.4951 0.2997 0.1634 0.060 Uiso 1 1 calc R U . . .
C83 C 0.60586(19) 0.34426(19) 0.19848(17) 0.0566(9) Uani 1 1 d . . . . .
H79 H 0.6449 0.3902 0.2098 0.068 Uiso 1 1 calc R U . . .
H80 H 0.6043 0.3261 0.2330 0.068 Uiso 1 1 calc R U . . .
C84 C 0.6228(2) 0.30317(18) 0.15377(18) 0.0589(9) Uani 1 1 d . . . . .
C85 C 0.6951(2) 0.3010(2) 0.1722(2) 0.0757(13) Uani 1 1 d . . . . .
F46 F 0.57113(11) 0.23893(10) 0.13825(10) 0.0643(6) Uani 1 1 d . . . . .
F47 F 0.62355(13) 0.32547(11) 0.10526(10) 0.0695(6) Uani 1 1 d . . . . .
F48 F 0.70650(14) 0.26387(13) 0.13107(13) 0.0875(8) Uani 1 1 d . . . . .
F49 F 0.74849(13) 0.36275(14) 0.18424(17) 0.1101(12) Uani 1 1 d . . . . .
F50 F 0.69856(15) 0.27823(17) 0.21883(14) 0.0938(9) Uani 1 1 d . . . . .
O11 O 0.17404(12) 0.32037(10) 0.17676(10) 0.0475(5) Uani 1 1 d . . . . .
C86 C 0.10109(18) 0.29713(17) 0.18114(16) 0.0499(8) Uani 1 1 d . . . . .
H81 H 0.0935 0.2733 0.2122 0.060 Uiso 1 1 calc R U . . .
H82 H 0.0679 0.2664 0.1445 0.060 Uiso 1 1 calc R U . . .
C87 C 0.08766(19) 0.35735(18) 0.19445(18) 0.0560(9) Uani 1 1 d . . . . .
H83 H 0.0942 0.3801 0.1627 0.067 Uiso 1 1 calc R U . . .
H84 H 0.1227 0.3887 0.2301 0.067 Uiso 1 1 calc R U . . .
C88 C 0.0119(2) 0.3365(2) 0.2019(2) 0.0715(12) Uani 1 1 d . . . . .
H85 H -0.0224 0.3040 0.1664 0.086 Uiso 1 1 calc R U . . .
H86 H 0.0062 0.3140 0.2338 0.086 Uiso 1 1 calc R U . . .
C89 C -0.0068(2) 0.3917(2) 0.2139(2) 0.0720(11) Uani 1 1 d . . . . .
C90 C -0.0817(3) 0.3735(3) 0.2262(3) 0.0903(15) Uani 1 1 d . . . . .
F51 F 0.04242(15) 0.44223(14) 0.25847(13) 0.0911(8) Uani 1 1 d . . . . .
F52 F -0.00606(17) 0.41894(16) 0.16743(14) 0.0966(9) Uani 1 1 d . . . . .
F53 F -0.09585(17) 0.42429(17) 0.23214(16) 0.1074(10) Uani 1 1 d . . . . .
F54 F -0.13065(17) 0.3241(2) 0.1864(2) 0.1434(17) Uani 1 1 d . . . . .
F55 F -0.0802(2) 0.3543(2) 0.2759(2) 0.1395(16) Uani 1 1 d . . . . .
O12 O 0.27964(11) 0.13809(10) 0.11873(9) 0.0430(5) Uani 1 1 d . . . . .
C91 C 0.35185(18) 0.16128(16) 0.11227(15) 0.0465(7) Uani 1 1 d . . . . .
H87 H 0.3861 0.1920 0.1485 0.056 Uiso 1 1 calc R U . . .
H88 H 0.3578 0.1853 0.0813 0.056 Uiso 1 1 calc R U . . .
C92 C 0.36667(19) 0.10153(17) 0.09723(15) 0.0502(8) Uani 1 1 d . . . . .
H89 H 0.3596 0.0774 0.1281 0.060 Uiso 1 1 calc R U . . .
H90 H 0.4175 0.1167 0.0948 0.060 Uiso 1 1 calc R U . . .
C93 C 0.3169(2) 0.05468(18) 0.04002(16) 0.0550(8) Uani 1 1 d . . . . .
H91 H 0.2681 0.0306 0.0460 0.066 Uiso 1 1 calc R U . . .
H92 H 0.3133 0.0817 0.0124 0.066 Uiso 1 1 calc R U . . .
C94 C 0.3398(2) 0.0045(2) 0.01331(19) 0.0649(10) Uani 1 1 d . . . . .
C95 C 0.3309(3) -0.0518(2) 0.0408(2) 0.0769(12) Uani 1 1 d . . . . .
F56 F 0.30012(14) -0.02517(12) -0.04376(11) 0.0733(6) Uani 1 1 d . . . . .
F57 F 0.41031(12) 0.03396(11) 0.01070(11) 0.0696(6) Uani 1 1 d . . . . .
F58 F 0.35130(19) -0.09434(14) 0.01151(16) 0.1055(10) Uani 1 1 d . . . . .
F59 F 0.37085(15) -0.02854(12) 0.09419(12) 0.0800(7) Uani 1 1 d . . . . .
F60 F 0.26200(16) -0.08675(14) 0.04042(16) 0.1004(10) Uani 1 1 d . . . . .
C96 C 0.13187(16) 0.09335(14) 0.64757(13) 0.0415(7) Uani 1 1 d . . . . .
H93 H 0.0795 0.0806 0.6376 0.050 Uiso 1 1 calc R U . . .
H94 H 0.1417 0.0650 0.6181 0.050 Uiso 1 1 calc R U . . .
C97 C 0.21419(19) 0.04766(17) 0.87302(15) 0.0537(9) Uani 1 1 d . . . . .
H95 H 0.1709 0.0257 0.8875 0.064 Uiso 1 1 calc R U . . .
H96 H 0.2386 0.0185 0.8701 0.064 Uiso 1 1 calc R U . . .
C98 C 0.4082(3) 0.3106(2) 1.02331(16) 0.0816(16) Uani 1 1 d . . . . .
H97 H 0.4554 0.3125 1.0403 0.098 Uiso 1 1 calc R U . . .
H98 H 0.3871 0.3205 1.0552 0.098 Uiso 1 1 calc R U . . .
C99 C 0.4516(3) 0.51224(18) 0.89107(16) 0.0773(14) Uani 1 1 d . . . . .
H99 H 0.5035 0.5382 0.8933 0.093 Uiso 1 1 calc R U . . .
H100 H 0.4332 0.5433 0.9071 0.093 Uiso 1 1 calc R U . . .
C100 C 0.29393(17) 0.37448(14) 0.65273(14) 0.0437(7) Uani 1 1 d . . . . .
H101 H 0.3277 0.3799 0.6274 0.052 Uiso 1 1 calc R U . . .
H102 H 0.2608 0.3931 0.6391 0.052 Uiso 1 1 calc R U . . .
C101 C 0.15220(16) 0.08065(14) 0.70585(13) 0.0405(7) Uani 1 1 d . . . . .
C102 C 0.11314(16) 0.08290(15) 0.74731(14) 0.0431(7) Uani 1 1 d D . . . .
C103 C 0.13235(17) 0.07018(15) 0.80018(14) 0.0461(8) Uani 1 1 d . . . . .
H103 H 0.1042 0.0700 0.8274 0.055 Uiso 1 1 calc R U . . .
C104 C 0.19160(17) 0.05777(15) 0.81377(14) 0.0459(8) Uani 1 1 d . . . . .
C105 C 0.23191(17) 0.05734(15) 0.77318(15) 0.0467(8) Uani 1 1 d . . . . .
C106 C 0.21091(17) 0.06764(15) 0.71967(14) 0.0429(7) Uani 1 1 d . . . . .
H104 H 0.2377 0.0657 0.6918 0.052 Uiso 1 1 calc R U . . .
C107 C 0.2647(2) 0.11376(18) 0.91460(15) 0.0564(10) Uani 1 1 d . . . . .
C108 C 0.2387(2) 0.15149(19) 0.94677(16) 0.0594(10) Uani 1 1 d D . . . .
C109 C 0.2849(2) 0.21420(19) 0.98185(15) 0.0626(11) Uani 1 1 d . . . . .
H105 H 0.2656 0.2391 1.0028 0.075 Uiso 1 1 calc R U . . .
C110 C 0.3589(2) 0.2412(2) 0.98675(16) 0.0690(13) Uani 1 1 d . . . . .
C111 C 0.3852(2) 0.2026(2) 0.95606(17) 0.0699(13) Uani 1 1 d D . . . .
C112 C 0.3387(2) 0.1403(2) 0.92033(16) 0.0630(11) Uani 1 1 d . . . . .
H106 H 0.3580 0.1154 0.8994 0.076 Uiso 1 1 calc R U . . .
C113 C 0.4200(3) 0.3630(2) 0.98916(16) 0.0800(16) Uani 1 1 d . . . . .
C114 C 0.3724(3) 0.3912(2) 0.98219(16) 0.0814(17) Uani 1 1 d . . . . .
C115 C 0.3848(3) 0.44078(18) 0.95130(15) 0.0764(14) Uani 1 1 d . . . . .
H107 H 0.3528 0.4607 0.9477 0.092 Uiso 1 1 calc R U . . .
C116 C 0.4423(3) 0.46103(19) 0.92616(17) 0.0782(16) Uani 1 1 d . . . . .
C117 C 0.4890(3) 0.4313(2) 0.93215(16) 0.0807(17) Uani 1 1 d . . . . .
C118 C 0.4786(3) 0.3831(2) 0.96442(15) 0.0785(15) Uani 1 1 d . . . . .
H108 H 0.5117 0.3645 0.9693 0.094 Uiso 1 1 calc R U . . .
C119 C 0.4111(2) 0.47866(16) 0.82874(16) 0.0619(11) Uani 1 1 d . . . . .
C120 C 0.3411(2) 0.47064(16) 0.80802(18) 0.0645(12) Uani 1 1 d D . . . .
C121 C 0.3051(2) 0.43911(16) 0.75121(18) 0.0567(9) Uani 1 1 d . . . . .
H109 H 0.2583 0.4356 0.7374 0.068 Uiso 1 1 calc R U . . .
C122 C 0.33605(18) 0.41230(14) 0.71358(15) 0.0462(8) Uani 1 1 d . . . . .
C123 C 0.40538(18) 0.41938(15) 0.73461(14) 0.0453(7) Uani 1 1 d . . . . .
C124 C 0.4422(2) 0.45315(16) 0.79122(15) 0.0550(9) Uani 1 1 d . . . . .
H110 H 0.4900 0.4589 0.8045 0.066 Uiso 1 1 calc R U . . .
C125 C 0.25047(16) 0.30078(14) 0.64883(13) 0.0393(6) Uani 1 1 d . . . . .
C126 C 0.18135(16) 0.27654(15) 0.65833(14) 0.0415(7) Uani 1 1 d D . . . .
C127 C 0.14309(16) 0.20954(15) 0.65730(13) 0.0401(7) Uani 1 1 d . . . . .
H111 H 0.0962 0.1938 0.6641 0.048 Uiso 1 1 calc R U . . .
C128 C 0.17309(16) 0.16560(14) 0.64635(12) 0.0379(6) Uani 1 1 d . . . . .
C129 C 0.24142(16) 0.18974(14) 0.63557(12) 0.0369(6) Uani 1 1 d . . . . .
C130 C 0.27926(16) 0.25638(14) 0.63683(12) 0.0375(6) Uani 1 1 d . . . . .
H112 H 0.3258 0.2719 0.6293 0.045 Uiso 1 1 calc R U . . .
O13 O 0.0569(6) 0.1004(7) 0.7357(4) 0.045(2) Uani 0.741(4) 1 d D U P C 1
C131 C 0.0152(7) 0.1047(7) 0.7764(5) 0.046(2) Uani 0.741(4) 1 d D U P C 1
H113 H 0.0464 0.1386 0.8122 0.056 Uiso 0.741(4) 1 calc R U P C 1
H114 H -0.0087 0.0614 0.7861 0.056 Uiso 0.741(4) 1 calc R U P C 1
C132 C -0.0403(8) 0.1239(10) 0.7477(5) 0.052(2) Uani 0.741(4) 1 d D U P C 1
H115 H -0.0605 0.0974 0.7074 0.063 Uiso 0.741(4) 1 calc R U P C 1
H116 H -0.0159 0.1712 0.7469 0.063 Uiso 0.741(4) 1 calc R U P C 1
C133 C -0.1026(3) 0.1141(3) 0.7767(2) 0.0590(15) Uani 0.741(4) 1 d D U P C 1
H117 H -0.1397 0.1209 0.7516 0.071 Uiso 0.741(4) 1 calc R U P C 1
H118 H -0.1248 0.0675 0.7800 0.071 Uiso 0.741(4) 1 calc R U P C 1
C134 C -0.0822(3) 0.1588(2) 0.8350(2) 0.0609(12) Uani 0.741(4) 1 d D U P C 1
C135 C -0.1472(3) 0.1513(3) 0.8608(3) 0.0714(14) Uani 0.741(4) 1 d D U P C 1
F61 F -0.03679(16) 0.14704(16) 0.87331(13) 0.0678(9) Uani 0.741(4) 1 d D U P C 1
F62 F -0.0475(2) 0.22356(15) 0.83407(16) 0.0791(11) Uani 0.741(4) 1 d D U P C 1
F63 F -0.1815(2) 0.0899(2) 0.86611(19) 0.0887(12) Uani 0.741(4) 1 d D U P C 1
F64 F -0.1267(2) 0.19190(19) 0.91158(17) 0.0828(11) Uani 0.741(4) 1 d D U P C 1
F65 F -0.1935(3) 0.1639(3) 0.82766(19) 0.1079(16) Uani 0.741(4) 1 d D U P C 1
O14 O 0.0537(14) 0.0910(19) 0.7240(10) 0.031(4) Uani 0.259(4) 1 d D U P C 2
C136 C 0.0192(15) 0.0954(18) 0.7695(13) 0.031(5) Uani 0.259(4) 1 d D U P C 2
H119 H 0.0551 0.1265 0.8049 0.037 Uiso 0.259(4) 1 calc R U P C 2
H120 H -0.0050 0.0512 0.7776 0.037 Uiso 0.259(4) 1 calc R U P C 2
C137 C -0.035(2) 0.120(3) 0.7504(15) 0.062(8) Uani 0.259(4) 1 d D U P C 2
H121 H -0.0701 0.0890 0.7146 0.075 Uiso 0.259(4) 1 calc R U P C 2
H122 H -0.0103 0.1639 0.7421 0.075 Uiso 0.259(4) 1 calc R U P C 2
C138 C -0.0758(9) 0.1261(10) 0.7967(9) 0.081(5) Uani 0.259(4) 1 d D U P C 2
H123 H -0.1018 0.0821 0.8044 0.097 Uiso 0.259(4) 1 calc R U P C 2
H124 H -0.0410 0.1566 0.8328 0.097 Uiso 0.259(4) 1 calc R U P C 2
C139 C -0.1281(7) 0.1518(6) 0.7772(7) 0.110(4) Uani 0.259(4) 1 d D U P C 2
C140 C -0.1697(10) 0.1639(9) 0.8214(8) 0.157(6) Uani 0.259(4) 1 d D U P C 2
F66 F -0.1789(6) 0.1106(5) 0.7303(6) 0.121(4) Uani 0.259(4) 1 d D U P C 2
F67 F -0.0939(6) 0.2108(5) 0.7638(9) 0.145(6) Uani 0.259(4) 1 d D U P C 2
F68 F -0.2049(8) 0.1089(8) 0.8363(10) 0.152(6) Uani 0.259(4) 1 d D U P C 2
F69 F -0.1249(8) 0.2079(10) 0.8667(9) 0.181(7) Uani 0.259(4) 1 d D U P C 2
F70 F -0.2139(9) 0.1859(10) 0.7972(11) 0.189(7) Uani 0.259(4) 1 d D U P C 2
O15 O 0.29159(13) 0.04706(12) 0.78965(11) 0.0537(6) Uani 1 1 d . . . . .
C141 C 0.33680(19) 0.05089(19) 0.75123(16) 0.0550(9) Uani 1 1 d . . . . .
H125 H 0.3530 0.0941 0.7406 0.066 Uiso 1 1 calc R U . . .
H126 H 0.3107 0.0149 0.7157 0.066 Uiso 1 1 calc R U . . .
C142 C 0.4004(2) 0.0437(2) 0.78248(18) 0.0610(9) Uani 1 1 d . . . . .
H127 H 0.4254 0.0795 0.8182 0.073 Uiso 1 1 calc R U . . .
H128 H 0.4350 0.0482 0.7579 0.073 Uiso 1 1 calc R U . . .
C143 C 0.3762(2) -0.0240(2) 0.79758(19) 0.0681(11) Uani 1 1 d . . . . .
H129 H 0.3347 -0.0323 0.8152 0.082 Uiso 1 1 calc R U . . .
H130 H 0.3601 -0.0593 0.7619 0.082 Uiso 1 1 calc R U . . .
C144 C 0.4358(2) -0.0269(2) 0.83842(17) 0.0616(10) Uani 1 1 d . . . . .
C145 C 0.4151(4) -0.0947(3) 0.8525(2) 0.0921(17) Uani 1 1 d . . . . .
F71 F 0.45477(13) 0.01655(11) 0.88908(10) 0.0687(6) Uani 1 1 d . . . . .
F72 F 0.49569(17) -0.0102(2) 0.81905(13) 0.1062(11) Uani 1 1 d . . . . .
F73 F 0.46897(18) -0.09362(15) 0.89062(13) 0.0981(9) Uani 1 1 d . . . . .
F74 F 0.4040(3) -0.13835(19) 0.80456(17) 0.180(3) Uani 1 1 d . . . . .
F75 F 0.3583(2) -0.11419(17) 0.8708(2) 0.1320(16) Uani 1 1 d . . . . .
O16 O 0.1645(3) 0.1256(6) 0.9452(4) 0.0555(19) Uani 0.709(5) 1 d D U P D 1
C146 C 0.1317(4) 0.1547(3) 0.9799(3) 0.0539(17) Uani 0.709(5) 1 d D U P D 1
H131 H 0.1279 0.1917 0.9652 0.065 Uiso 0.709(5) 1 calc R U P D 1
H132 H 0.1621 0.1730 1.0197 0.065 Uiso 0.709(5) 1 calc R U P D 1
C147 C 0.0574(4) 0.1041(5) 0.9799(4) 0.060(2) Uani 0.709(5) 1 d D U P D 1
H133 H 0.0615 0.0692 0.9980 0.072 Uiso 0.709(5) 1 calc R U P D 1
H134 H 0.0283 0.0828 0.9399 0.072 Uiso 0.709(5) 1 calc R U P D 1
C148 C 0.0204(3) 0.1378(3) 1.0131(3) 0.0581(18) Uani 0.709(5) 1 d D U P D 1
H135 H 0.0537 0.1650 1.0508 0.070 Uiso 0.709(5) 1 calc R U P D 1
H136 H 0.0109 0.1682 0.9917 0.070 Uiso 0.709(5) 1 calc R U P D 1
C149 C -0.0488(3) 0.0911(3) 1.0231(3) 0.0614(15) Uani 0.709(5) 1 d D U P D 1
C150 C -0.0883(4) 0.1227(3) 1.0552(3) 0.0660(16) Uani 0.709(5) 1 d D U P D 1
F76 F -0.0956(2) 0.0508(2) 0.97281(18) 0.0834(13) Uani 0.709(5) 1 d D U P D 1
F77 F -0.0374(2) 0.0505(2) 1.0554(2) 0.0913(15) Uani 0.709(5) 1 d D U P D 1
F78 F -0.1018(3) 0.1640(2) 1.0281(2) 0.0872(13) Uani 0.709(5) 1 d D U P D 1
F79 F -0.1487(3) 0.0794(3) 1.0624(3) 0.0733(15) Uani 0.709(5) 1 d D U P D 1
F80 F -0.0461(2) 0.1591(2) 1.10690(19) 0.0884(14) Uani 0.709(5) 1 d D U P D 1
O17 O 0.1656(7) 0.1156(13) 0.9311(8) 0.042(4) Uani 0.291(5) 1 d D U P D 2
C151 C 0.1452(7) 0.1347(8) 0.9812(7) 0.042(3) Uani 0.291(5) 1 d D U P D 2
H137 H 0.1672 0.1836 0.9948 0.050 Uiso 0.291(5) 1 calc R U P D 2
H138 H 0.1600 0.1161 1.0124 0.050 Uiso 0.291(5) 1 calc R U P D 2
C152 C 0.0639(8) 0.1061(12) 0.9627(7) 0.045(4) Uani 0.291(5) 1 d D U P D 2
H139 H 0.0503 0.1271 0.9331 0.054 Uiso 0.291(5) 1 calc R U P D 2
H140 H 0.0433 0.0578 0.9456 0.054 Uiso 0.291(5) 1 calc R U P D 2
C153 C 0.0337(6) 0.1180(8) 1.0137(7) 0.047(4) Uani 0.291(5) 1 d D U P D 2
H141 H 0.0516 0.1006 1.0444 0.057 Uiso 0.291(5) 1 calc R U P D 2
H142 H 0.0522 0.1665 1.0287 0.057 Uiso 0.291(5) 1 calc R U P D 2
C154 C -0.0461(6) 0.0870(6) 1.0005(5) 0.052(3) Uani 0.291(5) 1 d D U P D 2
C155 C -0.0771(6) 0.1023(7) 1.0512(5) 0.064(3) Uani 0.291(5) 1 d D U P D 2
F81 F -0.0742(5) 0.0207(5) 0.9842(5) 0.085(3) Uani 0.291(5) 1 d D U P D 2
F82 F -0.0750(5) 0.1066(7) 0.9572(4) 0.102(4) Uani 0.291(5) 1 d D U P D 2
F83 F -0.0593(7) 0.1663(6) 1.0668(7) 0.102(4) Uani 0.291(5) 1 d D U P D 2
F84 F -0.1477(6) 0.0707(8) 1.0394(6) 0.079(4) Uani 0.291(5) 1 d D U P D 2
F85 F -0.0529(5) 0.0824(6) 1.0950(4) 0.096(4) Uani 0.291(5) 1 d D U P D 2
O18 O 0.4599(2) 0.2254(3) 0.9591(3) 0.0725(18) Uani 0.843(5) 1 d D U P E 1
C156 C 0.4965(3) 0.1936(3) 0.9875(2) 0.0820(17) Uani 0.843(5) 1 d D U P E 1
H143 H 0.4691 0.1448 0.9730 0.098 Uiso 0.843(5) 1 calc R U P E 1
H144 H 0.5005 0.2049 1.0294 0.098 Uiso 0.843(5) 1 calc R U P E 1
C157 C 0.5706(3) 0.2166(3) 0.9761(2) 0.0780(19) Uani 0.843(5) 1 d D U P E 1
H145 H 0.5990 0.1996 0.9997 0.094 Uiso 0.843(5) 1 calc R U P E 1
H146 H 0.5960 0.2657 0.9872 0.094 Uiso 0.843(5) 1 calc R U P E 1
C158 C 0.5652(3) 0.1919(3) 0.9127(2) 0.0785(16) Uani 0.843(5) 1 d D U P E 1
H147 H 0.5476 0.1431 0.9037 0.094 Uiso 0.843(5) 1 calc R U P E 1
H148 H 0.5290 0.2014 0.8892 0.094 Uiso 0.843(5) 1 calc R U P E 1
C159 C 0.6346(3) 0.2224(3) 0.8959(3) 0.0775(15) Uani 0.843(5) 1 d D U P E 1
C160 C 0.6322(4) 0.1998(4) 0.8327(3) 0.107(2) Uani 0.843(5) 1 d D U P E 1
F86 F 0.6605(3) 0.28961(18) 0.9069(2) 0.1014(15) Uani 0.843(5) 1 d D U P E 1
F87 F 0.6865(2) 0.21240(19) 0.92679(17) 0.1000(12) Uani 0.843(5) 1 d D U P E 1
F88 F 0.6945(4) 0.2280(4) 0.8202(3) 0.134(3) Uani 0.843(5) 1 d D U P E 1
F89 F 0.6093(4) 0.1339(2) 0.8192(2) 0.149(2) Uani 0.843(5) 1 d D U P E 1
F90 F 0.5850(3) 0.2126(4) 0.7999(2) 0.159(2) Uani 0.843(5) 1 d D U P E 1
O19 O 0.4571(9) 0.2452(10) 0.963(2) 0.060(8) Uani 0.157(5) 1 d D U P E 2
C161 C 0.4797(12) 0.1963(11) 0.9425(13) 0.064(7) Uani 0.157(5) 1 d D U P E 2
H149 H 0.4646 0.1813 0.9001 0.076 Uiso 0.157(5) 1 calc R U P E 2
H150 H 0.4600 0.1575 0.9592 0.076 Uiso 0.157(5) 1 calc R U P E 2
C162 C 0.5617(12) 0.2336(17) 0.9636(13) 0.077(9) Uani 0.157(5) 1 d D U P E 2
H151 H 0.5778 0.2786 0.9567 0.093 Uiso 0.157(5) 1 calc R U P E 2
H152 H 0.5751 0.2388 1.0057 0.093 Uiso 0.157(5) 1 calc R U P E 2
C163 C 0.6017(15) 0.2000(15) 0.9352(10) 0.080(7) Uani 0.157(5) 1 d D U P E 2
H153 H 0.6490 0.2139 0.9619 0.096 Uiso 0.157(5) 1 calc R U P E 2
H154 H 0.5741 0.1515 0.9295 0.096 Uiso 0.157(5) 1 calc R U P E 2
C164 C 0.6146(11) 0.2136(11) 0.8795(9) 0.093(6) Uani 0.157(5) 1 d D U P E 2
C165 C 0.6691(11) 0.1943(11) 0.8564(9) 0.104(6) Uani 0.157(5) 1 d D U P E 2
F91 F 0.5533(10) 0.1829(12) 0.8366(9) 0.125(7) Uani 0.157(5) 1 d D U P E 2
F92 F 0.6333(14) 0.2778(10) 0.8784(11) 0.101(7) Uani 0.157(5) 1 d D U P E 2
F93 F 0.6757(19) 0.210(2) 0.8074(12) 0.105(9) Uani 0.157(5) 1 d D U P E 2
F94 F 0.7308(11) 0.2200(13) 0.8928(9) 0.131(7) Uani 0.157(5) 1 d D U P E 2
F95 F 0.6493(14) 0.1300(10) 0.8474(11) 0.116(7) Uani 0.157(5) 1 d D U P E 2
O20 O 0.31430(19) 0.36913(16) 1.00643(12) 0.0859(11) Uani 1 1 d . . . . .
C166 C 0.2599(3) 0.3907(2) 0.99207(19) 0.0878(17) Uani 1 1 d . . . . .
H155 H 0.2486 0.3873 0.9502 0.105 Uiso 1 1 calc R U . . .
H156 H 0.2776 0.4377 1.0125 0.105 Uiso 1 1 calc R U . . .
C167 C 0.1927(3) 0.3481(3) 1.00895(19) 0.095(2) Uani 1 1 d . . . . .
H157 H 0.1737 0.3015 0.9870 0.114 Uiso 1 1 calc R U . . .
H158 H 0.2048 0.3495 1.0504 0.114 Uiso 1 1 calc R U . . .
C168 C 0.1360(3) 0.3722(3) 0.9972(2) 0.098(2) Uani 1 1 d . . . . .
H159 H 0.1308 0.3784 0.9575 0.117 Uiso 1 1 calc R U . . .
H160 H 0.1526 0.4161 1.0239 0.117 Uiso 1 1 calc R U . . .
C169 C 0.0634(3) 0.3261(3) 1.0037(2) 0.101(2) Uani 1 1 d . . . . .
C170 C 0.0065(4) 0.3512(4) 0.9989(3) 0.117(2) Uani 1 1 d . . . . .
F96 F 0.03695(17) 0.26782(15) 0.96372(14) 0.1087(11) Uani 1 1 d . . . . .
F97 F 0.06993(18) 0.3089(2) 1.05482(14) 0.1399(17) Uani 1 1 d . . . . .
F98 F -0.0558(2) 0.3059(2) 1.00549(19) 0.1455(16) Uani 1 1 d . . . . .
F99 F 0.0268(2) 0.4063(2) 1.0381(2) 0.161(2) Uani 1 1 d . . . . .
F100 F -0.0078(2) 0.3615(2) 0.94710(19) 0.1296(13) Uani 1 1 d . . . . .
O21 O 0.54541(19) 0.45311(14) 0.90550(12) 0.0793(10) Uani 1 1 d . . . . .
C171 C 0.5948(3) 0.4255(2) 0.91085(19) 0.0839(17) Uani 1 1 d . . . . .
H161 H 0.5695 0.3767 0.8958 0.101 Uiso 1 1 calc R U . . .
H162 H 0.6202 0.4357 0.9517 0.101 Uiso 1 1 calc R U . . .
C172 C 0.6479(2) 0.4569(2) 0.87575(18) 0.0737(13) Uani 1 1 d . . . . .
H163 H 0.6216 0.4466 0.8352 0.088 Uiso 1 1 calc R U . . .
H164 H 0.6717 0.5057 0.8907 0.088 Uiso 1 1 calc R U . . .
C173 C 0.7047(3) 0.4314(2) 0.8783(2) 0.0829(15) Uani 1 1 d . . . . .
H165 H 0.7284 0.4387 0.9190 0.099 Uiso 1 1 calc R U . . .
H166 H 0.6810 0.3830 0.8609 0.099 Uiso 1 1 calc R U . . .
C174 C 0.7609(3) 0.4648(2) 0.84754(18) 0.0727(12) Uani 1 1 d . . . . .
C175 C 0.8205(3) 0.4426(2) 0.8493(2) 0.0863(14) Uani 1 1 d . . . . .
F101 F 0.73130(14) 0.45624(13) 0.79091(10) 0.0802(7) Uani 1 1 d . . . . .
F102 F 0.79437(14) 0.53180(11) 0.86984(12) 0.0801(7) Uani 1 1 d . . . . .
F103 F 0.86580(19) 0.47239(16) 0.81881(16) 0.1050(10) Uani 1 1 d . . . . .
F104 F 0.85662(19) 0.45533(17) 0.90244(15) 0.1112(11) Uani 1 1 d . . . . .
F105 F 0.7911(2) 0.37720(15) 0.82642(16) 0.1144(11) Uani 1 1 d . . . . .
O22 O 0.3212(4) 0.4975(3) 0.8535(2) 0.0529(14) Uani 0.638(6) 1 d D U P F 1
C176 C 0.2490(6) 0.4853(3) 0.8383(4) 0.0557(18) Uani 0.638(6) 1 d . U P F 1
H167 H 0.2173 0.4370 0.8249 0.067 Uiso 0.638(6) 1 calc R U P F 1
H168 H 0.2410 0.5068 0.8072 0.067 Uiso 0.638(6) 1 calc R U P F 1
C177 C 0.2334(5) 0.5148(4) 0.8929(3) 0.0698(19) Uani 0.638(6) 1 d . U P F 1
H169 H 0.2399 0.4913 0.9228 0.084 Uiso 0.638(6) 1 calc R U P F 1
H170 H 0.2688 0.5620 0.9074 0.084 Uiso 0.638(6) 1 calc R U P F 1
C178 C 0.1590(5) 0.5100(4) 0.8835(4) 0.084(2) Uani 0.638(6) 1 d . U P F 1
H171 H 0.1539 0.5363 0.8556 0.100 Uiso 0.638(6) 1 calc R U P F 1
H172 H 0.1240 0.4632 0.8660 0.100 Uiso 0.638(6) 1 calc R U P F 1
C179 C 0.1404(13) 0.5335(11) 0.9360(8) 0.126(4) Uani 0.638(6) 1 d . U P F 1
C180 C 0.1757(13) 0.6036(10) 0.9608(8) 0.150(4) Uani 0.638(6) 1 d . U P F 1
F106 F 0.1531(5) 0.5057(3) 0.9785(3) 0.120(2) Uani 0.638(6) 1 d . U P F 1
F107 F 0.0624(5) 0.5178(4) 0.9238(3) 0.148(3) Uani 0.638(6) 1 d . U P F 1
F108 F 0.1440(8) 0.6231(7) 1.0051(5) 0.201(6) Uani 0.638(6) 1 d . U P F 1
F109 F 0.1596(11) 0.6424(8) 0.9339(6) 0.237(7) Uani 0.638(6) 1 d . U P F 1
F110 F 0.2423(6) 0.6258(5) 0.9831(4) 0.161(3) Uani 0.638(6) 1 d . U P F 1
O23 O 0.2941(6) 0.4925(5) 0.8351(4) 0.045(2) Uani 0.362(6) 1 d D U P F 2
C181 C 0.2178(6) 0.4673(6) 0.8159(5) 0.044(2) Uani 0.362(6) 1 d . U P F 2
H173 H 0.1963 0.4193 0.7971 0.053 Uiso 0.362(6) 1 calc R U P F 2
H174 H 0.2063 0.4904 0.7874 0.053 Uiso 0.362(6) 1 calc R U P F 2
C182 C 0.1864(5) 0.4777(5) 0.8666(4) 0.045(2) Uani 0.362(6) 1 d . U P F 2
H175 H 0.2031 0.4589 0.8968 0.054 Uiso 0.362(6) 1 calc R U P F 2
H176 H 0.1332 0.4530 0.8541 0.054 Uiso 0.362(6) 1 calc R U P F 2
C183 C 0.2073(6) 0.5513(5) 0.8927(4) 0.048(2) Uani 0.362(6) 1 d . U P F 2
H177 H 0.2602 0.5770 0.8998 0.057 Uiso 0.362(6) 1 calc R U P F 2
H178 H 0.1846 0.5682 0.8643 0.057 Uiso 0.362(6) 1 calc R U P F 2
C184 C 0.1856(7) 0.5632(6) 0.9475(5) 0.054(2) Uani 0.362(6) 1 d . U P F 2
C185 C 0.1921(9) 0.6311(7) 0.9702(7) 0.070(3) Uani 0.362(6) 1 d . U P F 2
F111 F 0.2244(6) 0.5479(5) 0.9877(3) 0.093(3) Uani 0.362(6) 1 d . U P F 2
F112 F 0.1176(6) 0.5248(6) 0.9427(6) 0.094(4) Uani 0.362(6) 1 d . U P F 2
F113 F 0.1805(6) 0.6382(5) 1.0200(5) 0.077(3) Uani 0.362(6) 1 d . U P F 2
F114 F 0.1587(6) 0.6439(5) 0.9210(6) 0.085(3) Uani 0.362(6) 1 d . U P F 2
F115 F 0.2593(5) 0.6752(5) 0.9688(4) 0.100(3) Uani 0.362(6) 1 d . U P F 2
O24 O 0.43320(11) 0.39108(10) 0.69660(9) 0.0438(5) Uani 1 1 d . . . . .
C186 C 0.50069(16) 0.39241(15) 0.71954(14) 0.0434(7) Uani 1 1 d . . . . .
H179 H 0.4977 0.3708 0.7520 0.052 Uiso 1 1 calc R U . . .
H180 H 0.5387 0.4387 0.7335 0.052 Uiso 1 1 calc R U . . .
C187 C 0.51752(17) 0.35515(15) 0.67116(14) 0.0451(7) Uani 1 1 d . . . . .
H181 H 0.5184 0.3762 0.6383 0.054 Uiso 1 1 calc R U . . .
H182 H 0.4795 0.3088 0.6579 0.054 Uiso 1 1 calc R U . . .
C188 C 0.59046(18) 0.35576(16) 0.69174(16) 0.0495(8) Uani 1 1 d . . . . .
H183 H 0.6287 0.4020 0.7015 0.059 Uiso 1 1 calc R U . . .
H184 H 0.5909 0.3391 0.7271 0.059 Uiso 1 1 calc R U . . .
C189 C 0.60688(19) 0.31375(17) 0.64710(16) 0.0534(8) Uani 1 1 d . . . . .
C190 C 0.6804(2) 0.31347(19) 0.66442(19) 0.0611(10) Uani 1 1 d . . . . .
F116 F 0.55624(11) 0.24905(10) 0.63377(11) 0.0657(6) Uani 1 1 d . . . . .
F117 F 0.60504(11) 0.33386(11) 0.59715(9) 0.0608(5) Uani 1 1 d . . . . .
F118 F 0.68988(13) 0.27409(13) 0.62377(12) 0.0787(7) Uani 1 1 d . . . . .
F119 F 0.73286(11) 0.37523(11) 0.67324(11) 0.0698(6) Uani 1 1 d . . . . .
F120 F 0.68678(13) 0.29395(12) 0.71274(11) 0.0720(6) Uani 1 1 d . . . . .
O25 O 0.1574(8) 0.3233(7) 0.6762(6) 0.041(3) Uani 0.550(5) 1 d D U P G 1
C191 C 0.0836(11) 0.3000(9) 0.6780(17) 0.046(4) Uani 0.550(5) 1 d D U P G 1
H185 H 0.0766 0.2867 0.7144 0.055 Uiso 0.550(5) 1 calc R U P G 1
H186 H 0.0527 0.2612 0.6455 0.055 Uiso 0.550(5) 1 calc R U P G 1
C192 C 0.0642(8) 0.3572(8) 0.6738(11) 0.062(4) Uani 0.550(5) 1 d D U P G 1
H187 H 0.0670 0.3669 0.6357 0.075 Uiso 0.550(5) 1 calc R U P G 1
H188 H 0.0998 0.3974 0.7034 0.075 Uiso 0.550(5) 1 calc R U P G 1
C193 C -0.0115(6) 0.3418(7) 0.6822(5) 0.073(3) Uani 0.550(5) 1 d D U P G 1
H189 H -0.0323 0.3649 0.6592 0.087 Uiso 0.550(5) 1 calc R U P G 1
H190 H -0.0427 0.2935 0.6679 0.087 Uiso 0.550(5) 1 calc R U P G 1
C194 C -0.0106(6) 0.3626(6) 0.7426(5) 0.120(3) Uani 0.550(5) 1 d D U P G 1
C195 C -0.0865(7) 0.3468(9) 0.7553(6) 0.183(5) Uani 0.550(5) 1 d D U P G 1
F121 F 0.0293(5) 0.4285(4) 0.7639(3) 0.149(3) Uani 0.550(5) 1 d D U P G 1
F122 F 0.0190(4) 0.3324(4) 0.7759(3) 0.112(2) Uani 0.550(5) 1 d D U P G 1
F123 F -0.1309(7) 0.2846(8) 0.7321(7) 0.242(6) Uani 0.550(5) 1 d D U P G 1
F124 F -0.0810(7) 0.3583(8) 0.8090(4) 0.217(5) Uani 0.550(5) 1 d D U P G 1
F125 F -0.1039(8) 0.3880(8) 0.7319(5) 0.204(6) Uani 0.550(5) 1 d D U P G 1
O26 O 0.1511(11) 0.3216(10) 0.6602(8) 0.042(4) Uani 0.450(5) 1 d D U P G 2
C196 C 0.0801(14) 0.2991(13) 0.670(2) 0.050(6) Uani 0.450(5) 1 d D U P G 2
H191 H 0.0770 0.2782 0.7028 0.061 Uiso 0.450(5) 1 calc R U P G 2
H192 H 0.0440 0.2661 0.6354 0.061 Uiso 0.450(5) 1 calc R U P G 2
C197 C 0.0663(11) 0.3597(11) 0.6825(16) 0.078(7) Uani 0.450(5) 1 d D U P G 2
H193 H 0.0879 0.3886 0.6573 0.094 Uiso 0.450(5) 1 calc R U P G 2
H194 H 0.0922 0.3845 0.7227 0.094 Uiso 0.450(5) 1 calc R U P G 2
C198 C -0.0118(11) 0.3472(12) 0.6747(9) 0.116(7) Uani 0.450(5) 1 d D U P G 2
H195 H -0.0135 0.3906 0.6794 0.139 Uiso 0.450(5) 1 calc R U P G 2
H196 H -0.0381 0.3214 0.6348 0.139 Uiso 0.450(5) 1 calc R U P G 2
C199 C -0.0496(7) 0.3123(6) 0.7136(7) 0.143(4) Uani 0.450(5) 1 d D U P G 2
C200 C -0.1275(8) 0.3029(8) 0.7100(8) 0.173(5) Uani 0.450(5) 1 d D U P G 2
F126 F -0.0557(4) 0.2498(4) 0.7077(5) 0.142(4) Uani 0.450(5) 1 d D U P G 2
F127 F -0.0136(8) 0.3444(8) 0.7696(6) 0.197(5) Uani 0.450(5) 1 d D U P G 2
F128 F -0.1688(6) 0.2679(8) 0.6600(7) 0.213(5) Uani 0.450(5) 1 d D U P G 2
F129 F -0.1350(7) 0.3543(7) 0.7126(8) 0.185(6) Uani 0.450(5) 1 d D U P G 2
F130 F -0.1483(8) 0.2817(10) 0.7553(8) 0.222(7) Uani 0.450(5) 1 d D U P G 2
O27 O 0.26786(11) 0.14360(10) 0.62333(9) 0.0414(5) Uani 1 1 d . . . . .
C201 C 0.34134(16) 0.16811(15) 0.62013(14) 0.0425(7) Uani 1 1 d . . . . .
H197 H 0.3734 0.1988 0.6571 0.051 Uiso 1 1 calc R U . . .
H198 H 0.3492 0.1925 0.5895 0.051 Uiso 1 1 calc R U . . .
C202 C 0.35778(18) 0.10912(16) 0.60693(15) 0.0457(7) Uani 1 1 d . . . . .
H199 H 0.3484 0.0845 0.6373 0.055 Uiso 1 1 calc R U . . .
H200 H 0.4095 0.1251 0.6071 0.055 Uiso 1 1 calc R U . . .
C203 C 0.31217(18) 0.06246(16) 0.54872(15) 0.0463(7) Uani 1 1 d . . . . .
H201 H 0.2615 0.0403 0.5514 0.056 Uiso 1 1 calc R U . . .
H202 H 0.3138 0.0893 0.5201 0.056 Uiso 1 1 calc R U . . .
C204 C 0.33439(19) 0.00995(17) 0.52678(17) 0.0543(9) Uani 1 1 d . . . . .
C205 C 0.3232(2) -0.0439(2) 0.5585(2) 0.0691(11) Uani 1 1 d . . . . .
F131 F 0.40492(11) 0.03725(11) 0.52556(11) 0.0649(6) Uani 1 1 d . . . . .
F132 F 0.29584(12) -0.02187(11) 0.47025(10) 0.0634(5) Uani 1 1 d . . . . .
F133 F 0.34060(18) -0.08979(13) 0.53203(15) 0.0973(9) Uani 1 1 d . . . . .
F134 F 0.25500(15) -0.07413(13) 0.56098(14) 0.0910(8) Uani 1 1 d . . . . .
F135 F 0.36416(15) -0.01925(12) 0.61109(12) 0.0798(7) Uani 1 1 d . . . . .
C206 C 0.1735(3) 0.2707(3) 0.3270(2) 0.104(2) Uani 1 1 d . . . . .
H203 H 0.1402 0.2346 0.2938 0.156 Uiso 1 1 calc R U . . .
H204 H 0.1889 0.3131 0.3160 0.156 Uiso 1 1 calc R U . . .
H205 H 0.1492 0.2717 0.3583 0.156 Uiso 1 1 calc R U . . .
C207 C 0.2362(4) 0.2598(3) 0.3462(3) 0.118(2) Uani 1 1 d . . . . .
H206 H 0.2196 0.2177 0.3587 0.141 Uiso 1 1 calc R U . . .
H207 H 0.2681 0.2959 0.3805 0.141 Uiso 1 1 calc R U . . .
C208 C 0.2801(3) 0.2563(3) 0.3048(2) 0.0973(19) Uani 1 1 d . . . . .
H208 H 0.2943 0.2973 0.2907 0.117 Uiso 1 1 calc R U . . .
H209 H 0.2486 0.2188 0.2714 0.117 Uiso 1 1 calc R U . . .
C209 C 0.3462(4) 0.2485(2) 0.3239(2) 0.101(2) Uani 1 1 d . . . . .
H210 H 0.3801 0.2885 0.3544 0.121 Uiso 1 1 calc R U . . .
H211 H 0.3330 0.2104 0.3419 0.121 Uiso 1 1 calc R U . . .
C210 C 0.3854(3) 0.2384(3) 0.2813(3) 0.102(2) Uani 1 1 d . . . . .
H212 H 0.3981 0.2765 0.2633 0.123 Uiso 1 1 calc R U . . .
H213 H 0.3512 0.1984 0.2509 0.123 Uiso 1 1 calc R U . . .
C211 C 0.4548(3) 0.2301(3) 0.2995(3) 0.113(2) Uani 1 1 d . . . . .
H214 H 0.4440 0.1922 0.3171 0.169 Uiso 1 1 calc R U . . .
H215 H 0.4914 0.2705 0.3274 0.169 Uiso 1 1 calc R U . . .
H216 H 0.4729 0.2222 0.2656 0.169 Uiso 1 1 calc R U . . .
C212 C 0.1488(3) 0.2818(2) 0.8379(2) 0.107(2) Uani 1 1 d . . . . .
H217 H 0.1190 0.2557 0.7993 0.160 Uiso 1 1 calc R U . . .
H218 H 0.1693 0.3291 0.8384 0.160 Uiso 1 1 calc R U . . .
H219 H 0.1189 0.2732 0.8658 0.160 Uiso 1 1 calc R U . . .
C213 C 0.2086(3) 0.2625(2) 0.8534(2) 0.0988(19) Uani 1 1 d . . . . .
H220 H 0.2372 0.2882 0.8929 0.119 Uiso 1 1 calc R U . . .
H221 H 0.1870 0.2150 0.8539 0.119 Uiso 1 1 calc R U . . .
C214 C 0.2585(3) 0.2733(3) 0.8138(2) 0.105(2) Uani 1 1 d . . . . .
H222 H 0.2297 0.2466 0.7746 0.126 Uiso 1 1 calc R U . . .
H223 H 0.2786 0.3206 0.8126 0.126 Uiso 1 1 calc R U . . .
C215 C 0.3199(3) 0.2562(2) 0.8291(2) 0.0928(18) Uani 1 1 d . . . . .
H224 H 0.3508 0.2860 0.8667 0.111 Uiso 1 1 calc R U . . .
H225 H 0.2996 0.2104 0.8345 0.111 Uiso 1 1 calc R U . . .
C216 C 0.3671(4) 0.2597(4) 0.7889(3) 0.128(3) Uani 1 1 d . . . . .
H226 H 0.3370 0.2275 0.7519 0.154 Uiso 1 1 calc R U . . .
H227 H 0.3852 0.3045 0.7814 0.154 Uiso 1 1 calc R U . . .
C217 C 0.4299(3) 0.2465(3) 0.8068(2) 0.105(2) Uani 1 1 d . . . . .
H228 H 0.4137 0.2039 0.8175 0.157 Uiso 1 1 calc R U . . .
H229 H 0.4644 0.2820 0.8398 0.157 Uiso 1 1 calc R U . . .
H230 H 0.4531 0.2449 0.7748 0.157 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 0.0181 0.0091 '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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6 C1 C33 111.3(2) . . ?
C6 C1 H1 109.4 . . ?
C33 C1 H1 109.4 . . ?
C6 C1 H2 109.4 . . ?
C33 C1 H2 109.4 . . ?
H1 C1 H2 108.0 . . ?
C12 C2 C9 110.4(2) . . ?
C12 C2 H3 109.6 . . ?
C9 C2 H3 109.6 . . ?
C12 C2 H4 109.6 . . ?
C9 C2 H4 109.6 . . ?
H3 C2 H4 108.1 . . ?
C15 C3 C18 113.1(3) . . ?
C15 C3 H5 109.0 . . ?
C18 C3 H5 109.0 . . ?
C15 C3 H6 109.0 . . ?
C18 C3 H6 109.0 . . ?
H5 C3 H6 107.8 . . ?
C21 C4 C24 109.6(2) . . ?
C21 C4 H7 109.8 . . ?
C24 C4 H7 109.8 . . ?
C21 C4 H8 109.8 . . ?
C24 C4 H8 109.8 . . ?
H7 C4 H8 108.2 . . ?
C27 C5 C30 112.5(2) . . ?
C27 C5 H9 109.1 . . ?
C30 C5 H9 109.1 . . ?
C27 C5 H10 109.1 . . ?
C30 C5 H10 109.1 . . ?
H9 C5 H10 107.8 . . ?
C11 C6 C7 118.3(3) . . ?
C11 C6 C1 120.0(3) . . ?
C7 C6 C1 121.6(3) . . ?
O1 C7 C8 124.2(3) . . ?
C8 C7 O2 114(2) . . ?
O1 C7 C6 115.6(3) . . ?
C8 C7 C6 120.1(3) . . ?
O2 C7 C6 125(2) . . ?
C9 C8 C7 121.3(3) . . ?
C9 C8 H11 119.3 . . ?
C7 C8 H11 119.3 . . ?
C8 C9 C10 118.8(3) . . ?
C8 C9 C2 120.9(3) . . ?
C10 C9 C2 120.3(3) . . ?
O3 C10 C11 124.1(3) . . ?
O3 C10 C9 116.0(3) . . ?
C11 C10 C9 119.9(3) . . ?
C6 C11 C10 121.4(3) . . ?
C6 C11 H12 119.3 . . ?
C10 C11 H12 119.3 . . ?
C17 C12 C13 118.1(3) . . ?
C17 C12 C2 121.0(3) . . ?
C13 C12 C2 120.9(3) . . ?
C14 C13 O4 123.0(3) . . ?
C14 C13 C12 120.6(3) . . ?
O4 C13 C12 116.3(3) . . ?
C13 C14 C15 121.5(3) . . ?
C13 C14 H13 119.2 . . ?
C15 C14 H13 119.2 . . ?
C14 C15 C16 117.8(3) . . ?
C14 C15 C3 121.0(3) . . ?
C16 C15 C3 121.2(3) . . ?
O5 C16 C17 120.4(3) . . ?
O5 C16 C15 119.0(3) . . ?
C17 C16 C15 120.6(3) . . ?
C12 C17 C16 121.3(3) . . ?
C12 C17 H14 119.3 . . ?
C16 C17 H14 119.3 . . ?
C23 C18 C19 118.8(3) . . ?
C23 C18 C3 120.6(3) . . ?
C19 C18 C3 120.6(3) . . ?
O6 C19 C18 116.9(3) . . ?
O6 C19 C20 123.1(3) . . ?
C18 C19 C20 120.0(3) . . ?
C21 C20 C19 121.3(3) . . ?
C21 C20 H15 119.4 . . ?
C19 C20 H15 119.4 . . ?
C20 C21 C22 118.7(3) . . ?
C20 C21 C4 119.4(3) . . ?
C22 C21 C4 121.9(3) . . ?
O7 C22 C21 115.6(3) . . ?
O7 C22 C23 124.3(3) . . ?
C21 C22 C23 120.2(3) . . ?
C18 C23 C22 121.1(3) . . ?
C18 C23 H16 119.5 . . ?
C22 C23 H16 119.5 . . ?
C25 C24 C29 117.9(3) . . ?
C25 C24 C4 122.7(3) . . ?
C29 C24 C4 119.4(3) . . ?
C26 C25 O8 125.1(3) . . ?
C26 C25 C24 120.7(3) . . ?
O8 C25 C24 114.2(3) . . ?
C26 C25 O9 115(2) . . ?
C24 C25 O9 124(2) . . ?
C25 C26 C27 121.7(3) . . ?
C25 C26 H17 119.1 . . ?
C27 C26 H17 119.1 . . ?
C26 C27 C28 117.6(3) . . ?
C26 C27 C5 121.5(3) . . ?
C28 C27 C5 121.0(3) . . ?
O10 C28 C29 123.0(3) . . ?
O10 C28 C27 116.2(3) . . ?
C29 C28 C27 120.8(3) . . ?
C28 C29 C24 121.3(3) . . ?
C28 C29 H18 119.4 . . ?
C24 C29 H18 119.4 . . ?
C35 C30 C31 118.4(3) . . ?
C35 C30 C5 120.7(3) . . ?
C31 C30 C5 120.9(3) . . ?
O11 C31 C32 123.6(3) . . ?
O11 C31 C30 115.7(3) . . ?
C32 C31 C30 120.7(3) . . ?
C33 C32 C31 120.9(3) . . ?
C33 C32 H19 119.6 . . ?
C31 C32 H19 119.6 . . ?
C32 C33 C34 118.4(3) . . ?
C32 C33 C1 120.8(3) . . ?
C34 C33 C1 120.7(3) . . ?
O12 C34 C35 123.6(3) . . ?
O12 C34 C33 116.1(3) . . ?
C35 C34 C33 120.2(3) . . ?
C30 C35 C34 121.3(3) . . ?
C30 C35 H20 119.3 . . ?
C34 C35 H20 119.3 . . ?
C7 O1 C36 116.3(4) . . ?
O1 C36 C37 106.2(4) . . ?
O1 C36 H21 110.5 . . ?
C37 C36 H21 110.5 . . ?
O1 C36 H22 110.5 . . ?
C37 C36 H22 110.5 . . ?
H21 C36 H22 108.7 . . ?
C36 C37 C38 111.0(5) . . ?
C36 C37 H23 109.4 . . ?
C38 C37 H23 109.4 . . ?
C36 C37 H24 109.4 . . ?
C38 C37 H24 109.4 . . ?
H23 C37 H24 108.0 . . ?
C39 C38 C37 111.6(5) . . ?
C39 C38 H25 109.3 . . ?
C37 C38 H25 109.3 . . ?
C39 C38 H26 109.3 . . ?
C37 C38 H26 109.3 . . ?
H25 C38 H26 108.0 . . ?
F1 C39 F2 105.8(4) . . ?
F1 C39 C38 111.4(4) . . ?
F2 C39 C38 111.4(4) . . ?
F1 C39 C40 106.0(4) . . ?
F2 C39 C40 106.2(4) . . ?
C38 C39 C40 115.4(5) . . ?
F5 C40 F4 108.3(6) . . ?
F5 C40 F3 109.1(5) . . ?
F4 C40 F3 108.0(4) . . ?
F5 C40 C39 110.2(4) . . ?
F4 C40 C39 109.8(4) . . ?
F3 C40 C39 111.4(5) . . ?
C7 O2 C41 131(4) . . ?
O2 C41 C42 108(2) . . ?
O2 C41 H27 110.2 . . ?
C42 C41 H27 110.2 . . ?
O2 C41 H28 110.2 . . ?
C42 C41 H28 110.2 . . ?
H27 C41 H28 108.5 . . ?
C41 C42 C43 113(2) . . ?
C41 C42 H29 108.9 . . ?
C43 C42 H29 108.9 . . ?
C41 C42 H30 108.9 . . ?
C43 C42 H30 108.9 . . ?
H29 C42 H30 107.7 . . ?
C44 C43 C42 114(2) . . ?
C44 C43 H31 108.7 . . ?
C42 C43 H31 108.7 . . ?
C44 C43 H32 108.7 . . ?
C42 C43 H32 108.7 . . ?
H31 C43 H32 107.6 . . ?
F7 C44 F6 105.6(18) . . ?
F7 C44 C43 113(2) . . ?
F6 C44 C43 110.0(19) . . ?
F7 C44 C45 106.1(15) . . ?
F6 C44 C45 107.1(15) . . ?
C43 C44 C45 114.8(17) . . ?
F9 C45 F8 109.7(18) . . ?
F9 C45 F10 105.8(19) . . ?
F8 C45 F10 108.7(19) . . ?
F9 C45 C44 108.3(15) . . ?
F8 C45 C44 111.6(15) . . ?
F10 C45 C44 112.6(18) . . ?
C10 O3 C46 119.4(3) . . ?
O3 C46 C47 106.6(3) . . ?
O3 C46 H33 110.4 . . ?
C47 C46 H33 110.4 . . ?
O3 C46 H34 110.4 . . ?
C47 C46 H34 110.4 . . ?
H33 C46 H34 108.6 . . ?
C46 C47 C48 111.0(3) . . ?
C46 C47 H35 109.4 . . ?
C48 C47 H35 109.4 . . ?
C46 C47 H36 109.4 . . ?
C48 C47 H36 109.4 . . ?
H35 C47 H36 108.0 . . ?
C49 C48 C47 113.1(3) . . ?
C49 C48 H37 109.0 . . ?
C47 C48 H37 109.0 . . ?
C49 C48 H38 109.0 . . ?
C47 C48 H38 109.0 . . ?
H37 C48 H38 107.8 . . ?
F11 C49 F12 107.2(3) . . ?
F11 C49 C48 111.3(4) . . ?
F12 C49 C48 111.2(3) . . ?
F11 C49 C50 106.8(4) . . ?
F12 C49 C50 106.1(3) . . ?
C48 C49 C50 113.9(4) . . ?
F15 C50 F14 107.1(5) . . ?
F15 C50 F13 108.2(4) . . ?
F14 C50 F13 107.6(5) . . ?
F15 C50 C49 111.0(4) . . ?
F14 C50 C49 111.3(4) . . ?
F13 C50 C49 111.3(4) . . ?
C13 O4 C51 117.0(2) . . ?
O4 C51 C52 108.4(3) . . ?
O4 C51 H39 110.0 . . ?
C52 C51 H39 110.0 . . ?
O4 C51 H40 110.0 . . ?
C52 C51 H40 110.0 . . ?
H39 C51 H40 108.4 . . ?
C51 C52 C53 109.5(3) . . ?
C51 C52 H41 109.8 . . ?
C53 C52 H41 109.8 . . ?
C51 C52 H42 109.8 . . ?
C53 C52 H42 109.8 . . ?
H41 C52 H42 108.2 . . ?
C54 C53 C52 114.9(3) . . ?
C54 C53 H43 108.5 . . ?
C52 C53 H43 108.5 . . ?
C54 C53 H44 108.5 . . ?
C52 C53 H44 108.5 . . ?
H43 C53 H44 107.5 . . ?
F17 C54 F16 105.0(3) . . ?
F17 C54 C53 111.7(3) . . ?
F16 C54 C53 111.3(3) . . ?
F17 C54 C55 107.0(3) . . ?
F16 C54 C55 106.6(3) . . ?
C53 C54 C55 114.7(3) . . ?
F20 C55 F18 107.8(3) . . ?
F20 C55 F19 108.9(3) . . ?
F18 C55 F19 106.5(3) . . ?
F20 C55 C54 111.2(3) . . ?
F18 C55 C54 112.6(3) . . ?
F19 C55 C54 109.7(3) . . ?
C16 O5 C56 114.1(2) . . ?
O5 C56 C57 107.0(3) . . ?
O5 C56 H45 110.3 . . ?
C57 C56 H45 110.3 . . ?
O5 C56 H46 110.3 . . ?
C57 C56 H46 110.3 . . ?
H45 C56 H46 108.6 . . ?
C56 C57 C58 111.6(3) . . ?
C56 C57 H47 109.3 . . ?
C58 C57 H47 109.3 . . ?
C56 C57 H48 109.3 . . ?
C58 C57 H48 109.3 . . ?
H47 C57 H48 108.0 . . ?
C59 C58 C57 113.2(4) . . ?
C59 C58 H49 108.9 . . ?
C57 C58 H49 108.9 . . ?
C59 C58 H50 108.9 . . ?
C57 C58 H50 108.9 . . ?
H49 C58 H50 107.8 . . ?
F22 C59 F21 104.2(4) . . ?
F22 C59 C58 111.9(4) . . ?
F21 C59 C58 110.4(3) . . ?
F22 C59 C60 107.1(4) . . ?
F21 C59 C60 106.3(4) . . ?
C58 C59 C60 116.1(5) . . ?
F25 C60 F23 106.7(5) . . ?
F25 C60 F24 109.6(7) . . ?
F23 C60 F24 107.8(4) . . ?
F25 C60 C59 109.8(4) . . ?
F23 C60 C59 112.9(7) . . ?
F24 C60 C59 109.9(5) . . ?
C19 O6 C61 117.1(2) . . ?
O6 C61 C62 108.1(3) . . ?
O6 C61 H51 110.1 . . ?
C62 C61 H51 110.1 . . ?
O6 C61 H52 110.1 . . ?
C62 C61 H52 110.1 . . ?
H51 C61 H52 108.4 . . ?
C61 C62 C63 110.2(3) . . ?
C61 C62 H53 109.6 . . ?
C63 C62 H53 109.6 . . ?
C61 C62 H54 109.6 . . ?
C63 C62 H54 109.6 . . ?
H53 C62 H54 108.1 . . ?
C64 C63 C62 112.3(3) . . ?
C64 C63 H55 109.1 . . ?
C62 C63 H55 109.1 . . ?
C64 C63 H56 109.1 . . ?
C62 C63 H56 109.1 . . ?
H55 C63 H56 107.9 . . ?
F26 C64 F27 106.8(3) . . ?
F26 C64 C63 110.8(3) . . ?
F27 C64 C63 110.5(3) . . ?
F26 C64 C65 106.3(4) . . ?
F27 C64 C65 107.2(4) . . ?
C63 C64 C65 114.9(3) . . ?
F28 C65 F30 108.5(5) . . ?
F28 C65 F29 108.0(5) . . ?
F30 C65 F29 107.0(4) . . ?
F28 C65 C64 112.4(4) . . ?
F30 C65 C64 110.8(4) . . ?
F29 C65 C64 109.8(4) . . ?
C22 O7 C66 119.4(2) . . ?
O7 C66 C67 105.7(3) . . ?
O7 C66 H57 110.6 . . ?
C67 C66 H57 110.6 . . ?
O7 C66 H58 110.6 . . ?
C67 C66 H58 110.6 . . ?
H57 C66 H58 108.7 . . ?
C66 C67 C68 112.3(3) . . ?
C66 C67 H59 109.1 . . ?
C68 C67 H59 109.1 . . ?
C66 C67 H60 109.1 . . ?
C68 C67 H60 109.1 . . ?
H59 C67 H60 107.9 . . ?
C69 C68 C67 111.9(3) . . ?
C69 C68 H61 109.2 . . ?
C67 C68 H61 109.2 . . ?
C69 C68 H62 109.2 . . ?
C67 C68 H62 109.2 . . ?
H61 C68 H62 107.9 . . ?
F31 C69 F32 105.5(3) . . ?
F31 C69 C68 111.0(3) . . ?
F32 C69 C68 110.7(3) . . ?
F31 C69 C70 107.1(3) . . ?
F32 C69 C70 106.2(3) . . ?
C68 C69 C70 115.7(3) . . ?
F34 C70 F33 108.3(4) . . ?
F34 C70 F35 107.9(4) . . ?
F33 C70 F35 107.8(3) . . ?
F34 C70 C69 110.9(3) . . ?
F33 C70 C69 112.2(3) . . ?
F35 C70 C69 109.5(3) . . ?
C25 O8 C71 116.1(4) . . ?
O8 C71 C72 106.3(4) . . ?
O8 C71 H63 110.5 . . ?
C72 C71 H63 110.5 . . ?
O8 C71 H64 110.5 . . ?
C72 C71 H64 110.5 . . ?
H63 C71 H64 108.7 . . ?
C71 C72 C73 110.7(4) . . ?
C71 C72 H65 109.5 . . ?
C73 C72 H65 109.5 . . ?
C71 C72 H66 109.5 . . ?
C73 C72 H66 109.5 . . ?
H65 C72 H66 108.1 . . ?
C74 C73 C72 112.6(4) . . ?
C74 C73 H67 109.1 . . ?
C72 C73 H67 109.1 . . ?
C74 C73 H68 109.1 . . ?
C72 C73 H68 109.1 . . ?
H67 C73 H68 107.8 . . ?
F37 C74 F36 106.8(4) . . ?
F37 C74 C73 111.5(4) . . ?
F36 C74 C73 110.1(4) . . ?
F37 C74 C75 105.7(5) . . ?
F36 C74 C75 106.7(4) . . ?
C73 C74 C75 115.5(5) . . ?
F38 C75 F39 110.5(6) . . ?
F38 C75 F40 107.2(6) . . ?
F39 C75 F40 106.5(6) . . ?
F38 C75 C74 113.1(6) . . ?
F39 C75 C74 111.1(5) . . ?
F40 C75 C74 108.2(6) . . ?
C25 O9 C76 129(3) . . ?
O9 C76 C77 110(2) . . ?
O9 C76 H69 109.6 . . ?
C77 C76 H69 109.6 . . ?
O9 C76 H70 109.6 . . ?
C77 C76 H70 109.6 . . ?
H69 C76 H70 108.2 . . ?
C76 C77 C78 114(2) . . ?
C76 C77 H71 108.8 . . ?
C78 C77 H71 108.8 . . ?
C76 C77 H72 108.8 . . ?
C78 C77 H72 108.8 . . ?
H71 C77 H72 107.7 . . ?
C79 C78 C77 117.5(19) . . ?
C79 C78 H73 107.9 . . ?
C77 C78 H73 107.9 . . ?
C79 C78 H74 107.9 . . ?
C77 C78 H74 107.9 . . ?
H73 C78 H74 107.2 . . ?
F42 C79 F41 106(2) . . ?
F42 C79 C78 114.9(18) . . ?
F41 C79 C78 112(2) . . ?
F42 C79 C80 104.9(16) . . ?
F41 C79 C80 101.1(18) . . ?
C78 C79 C80 116(2) . . ?
F43 C80 F44 108(2) . . ?
F43 C80 F45 110(2) . . ?
F44 C80 F45 108(2) . . ?
F43 C80 C79 112.7(19) . . ?
F44 C80 C79 109.3(18) . . ?
F45 C80 C79 108.2(18) . . ?
C28 O10 C81 116.1(2) . . ?
O10 C81 C82 107.4(3) . . ?
O10 C81 H75 110.2 . . ?
C82 C81 H75 110.2 . . ?
O10 C81 H76 110.2 . . ?
C82 C81 H76 110.2 . . ?
H75 C81 H76 108.5 . . ?
C81 C82 C83 109.8(3) . . ?
C81 C82 H77 109.7 . . ?
C83 C82 H77 109.7 . . ?
C81 C82 H78 109.7 . . ?
C83 C82 H78 109.7 . . ?
H77 C82 H78 108.2 . . ?
C84 C83 C82 112.5(3) . . ?
C84 C83 H79 109.1 . . ?
C82 C83 H79 109.1 . . ?
C84 C83 H80 109.1 . . ?
C82 C83 H80 109.1 . . ?
H79 C83 H80 107.8 . . ?
F47 C84 F46 106.3(3) . . ?
F47 C84 C83 110.9(3) . . ?
F46 C84 C83 110.8(3) . . ?
F47 C84 C85 107.1(3) . . ?
F46 C84 C85 106.5(3) . . ?
C83 C84 C85 114.9(3) . . ?
F50 C85 F48 108.8(4) . . ?
F50 C85 F49 108.0(4) . . ?
F48 C85 F49 107.8(4) . . ?
F50 C85 C84 111.3(4) . . ?
F48 C85 C84 111.8(4) . . ?
F49 C85 C84 109.0(4) . . ?
C31 O11 C86 117.4(2) . . ?
O11 C86 C87 106.7(3) . . ?
O11 C86 H81 110.4 . . ?
C87 C86 H81 110.4 . . ?
O11 C86 H82 110.4 . . ?
C87 C86 H82 110.4 . . ?
H81 C86 H82 108.6 . . ?
C86 C87 C88 109.5(3) . . ?
C86 C87 H83 109.8 . . ?
C88 C87 H83 109.8 . . ?
C86 C87 H84 109.8 . . ?
C88 C87 H84 109.8 . . ?
H83 C87 H84 108.2 . . ?
C89 C88 C87 113.6(4) . . ?
C89 C88 H85 108.8 . . ?
C87 C88 H85 108.8 . . ?
C89 C88 H86 108.8 . . ?
C87 C88 H86 108.8 . . ?
H85 C88 H86 107.7 . . ?
F51 C89 F52 105.0(4) . . ?
F51 C89 C88 112.6(4) . . ?
F52 C89 C88 109.2(4) . . ?
F51 C89 C90 107.5(4) . . ?
F52 C89 C90 106.5(4) . . ?
C88 C89 C90 115.4(4) . . ?
F54 C90 F53 111.4(5) . . ?
F54 C90 F55 107.8(6) . . ?
F53 C90 F55 108.6(5) . . ?
F54 C90 C89 110.5(5) . . ?
F53 C90 C89 111.2(5) . . ?
F55 C90 C89 107.1(4) . . ?
C34 O12 C91 117.7(2) . . ?
O12 C91 C92 108.0(3) . . ?
O12 C91 H87 110.1 . . ?
C92 C91 H87 110.1 . . ?
O12 C91 H88 110.1 . . ?
C92 C91 H88 110.1 . . ?
H87 C91 H88 108.4 . . ?
C91 C92 C93 111.3(3) . . ?
C91 C92 H89 109.4 . . ?
C93 C92 H89 109.4 . . ?
C91 C92 H90 109.4 . . ?
C93 C92 H90 109.4 . . ?
H89 C92 H90 108.0 . . ?
C94 C93 C92 115.3(3) . . ?
C94 C93 H91 108.4 . . ?
C92 C93 H91 108.4 . . ?
C94 C93 H92 108.4 . . ?
C92 C93 H92 108.4 . . ?
H91 C93 H92 107.5 . . ?
F57 C94 F56 105.5(3) . . ?
F57 C94 C95 106.9(4) . . ?
F56 C94 C95 105.2(4) . . ?
F57 C94 C93 111.4(3) . . ?
F56 C94 C93 110.0(3) . . ?
C95 C94 C93 117.1(4) . . ?
F59 C95 F60 110.0(4) . . ?
F59 C95 F58 108.8(4) . . ?
F60 C95 F58 106.7(4) . . ?
F59 C95 C94 109.5(4) . . ?
F60 C95 C94 110.6(4) . . ?
F58 C95 C94 111.1(4) . . ?
C101 C96 C128 112.5(2) . . ?
C101 C96 H93 109.1 . . ?
C128 C96 H93 109.1 . . ?
C101 C96 H94 109.1 . . ?
C128 C96 H94 109.1 . . ?
H93 C96 H94 107.8 . . ?
C107 C97 C104 110.3(3) . . ?
C107 C97 H95 109.6 . . ?
C104 C97 H95 109.6 . . ?
C107 C97 H96 109.6 . . ?
C104 C97 H96 109.6 . . ?
H95 C97 H96 108.1 . . ?
C110 C98 C113 112.5(3) . . ?
C110 C98 H97 109.1 . . ?
C113 C98 H97 109.1 . . ?
C110 C98 H98 109.1 . . ?
C113 C98 H98 109.1 . . ?
H97 C98 H98 107.8 . . ?
C116 C99 C119 110.4(3) . . ?
C116 C99 H99 109.6 . . ?
C119 C99 H99 109.6 . . ?
C116 C99 H100 109.6 . . ?
C119 C99 H100 109.6 . . ?
H99 C99 H100 108.1 . . ?
C122 C100 C125 111.4(3) . . ?
C122 C100 H101 109.3 . . ?
C125 C100 H101 109.3 . . ?
C122 C100 H102 109.3 . . ?
C125 C100 H102 109.3 . . ?
H101 C100 H102 108.0 . . ?
C106 C101 C102 118.2(3) . . ?
C106 C101 C96 120.5(3) . . ?
C102 C101 C96 121.3(3) . . ?
O14 C102 C103 130.0(12) . . ?
O13 C102 C103 120.9(5) . . ?
O14 C102 C101 109.5(11) . . ?
O13 C102 C101 119.0(5) . . ?
C103 C102 C101 120.1(3) . . ?
C104 C103 C102 121.2(3) . . ?
C104 C103 H103 119.4 . . ?
C102 C103 H103 119.4 . . ?
C103 C104 C105 118.8(3) . . ?
C103 C104 C97 120.5(3) . . ?
C105 C104 C97 120.7(3) . . ?
O15 C105 C106 123.9(3) . . ?
O15 C105 C104 116.4(3) . . ?
C106 C105 C104 119.7(3) . . ?
C101 C106 C105 121.9(3) . . ?
C101 C106 H104 119.0 . . ?
C105 C106 H104 119.0 . . ?
C112 C107 C108 117.4(4) . . ?
C112 C107 C97 121.0(4) . . ?
C108 C107 C97 121.5(3) . . ?
O17 C108 C109 133.6(10) . . ?
O17 C108 C107 105.0(9) . . ?
C109 C108 C107 121.2(4) . . ?
C109 C108 O16 118.8(5) . . ?
C107 C108 O16 120.0(5) . . ?
C110 C109 C108 121.3(5) . . ?
C110 C109 H105 119.4 . . ?
C108 C109 H105 119.4 . . ?
C109 C110 C111 117.6(4) . . ?
C109 C110 C98 120.6(5) . . ?
C111 C110 C98 121.8(4) . . ?
O19 C111 C112 133.9(16) . . ?
O19 C111 C110 104.0(13) . . ?
C112 C111 C110 121.0(4) . . ?
C112 C111 O18 117.3(5) . . ?
C110 C111 O18 121.7(4) . . ?
C107 C112 C111 121.5(5) . . ?
C107 C112 H106 119.2 . . ?
C111 C112 H106 119.2 . . ?
C118 C113 C114 119.5(4) . . ?
C118 C113 C98 120.0(6) . . ?
C114 C113 C98 120.5(5) . . ?
O20 C114 C113 117.7(4) . . ?
O20 C114 C115 122.5(6) . . ?
C113 C114 C115 119.8(5) . . ?
C116 C115 C114 121.5(6) . . ?
C116 C115 H107 119.2 . . ?
C114 C115 H107 119.2 . . ?
C115 C116 C117 118.3(4) . . ?
C115 C116 C99 119.7(6) . . ?
C117 C116 C99 122.0(4) . . ?
O21 C117 C116 115.8(4) . . ?
O21 C117 C118 123.3(6) . . ?
C116 C117 C118 120.9(5) . . ?
C113 C118 C117 119.9(6) . . ?
C113 C118 H108 120.0 . . ?
C117 C118 H108 120.0 . . ?
C124 C119 C120 118.2(4) . . ?
C124 C119 C99 120.2(4) . . ?
C120 C119 C99 121.6(4) . . ?
O22 C120 C121 132.3(5) . . ?
O22 C120 C119 107.3(4) . . ?
C121 C120 C119 120.4(3) . . ?
C121 C120 O23 107.4(5) . . ?
C119 C120 O23 132.2(5) . . ?
C120 C121 C122 121.4(4) . . ?
C120 C121 H109 119.3 . . ?
C122 C121 H109 119.3 . . ?
C123 C122 C121 118.1(3) . . ?
C123 C122 C100 121.4(3) . . ?
C121 C122 C100 120.5(3) . . ?
O24 C123 C124 123.6(3) . . ?
O24 C123 C122 116.3(3) . . ?
C124 C123 C122 120.1(3) . . ?
C119 C124 C123 121.7(4) . . ?
C119 C124 H110 119.1 . . ?
C123 C124 H110 119.1 . . ?
C130 C125 C126 118.3(3) . . ?
C130 C125 C100 120.8(3) . . ?
C126 C125 C100 120.8(3) . . ?
O25 C126 C125 116.6(7) . . ?
O25 C126 C127 122.2(7) . . ?
C125 C126 C127 120.6(3) . . ?
C125 C126 O26 114.8(9) . . ?
C127 C126 O26 124.0(10) . . ?
C128 C127 C126 120.6(3) . . ?
C128 C127 H111 119.7 . . ?
C126 C127 H111 119.7 . . ?
C129 C128 C127 118.5(3) . . ?
C129 C128 C96 121.5(3) . . ?
C127 C128 C96 120.0(3) . . ?
O27 C129 C130 123.2(3) . . ?
O27 C129 C128 116.2(2) . . ?
C130 C129 C128 120.6(3) . . ?
C129 C130 C125 121.3(3) . . ?
C129 C130 H112 119.3 . . ?
C125 C130 H112 119.3 . . ?
C102 O13 C131 122.1(7) . . ?
O13 C131 C132 106.0(7) . . ?
O13 C131 H113 110.5 . . ?
C132 C131 H113 110.5 . . ?
O13 C131 H114 110.5 . . ?
C132 C131 H114 110.5 . . ?
H113 C131 H114 108.7 . . ?
C131 C132 C133 114.7(7) . . ?
C131 C132 H115 108.6 . . ?
C133 C132 H115 108.6 . . ?
C131 C132 H116 108.6 . . ?
C133 C132 H116 108.6 . . ?
H115 C132 H116 107.6 . . ?
C134 C133 C132 115.1(8) . . ?
C134 C133 H117 108.5 . . ?
C132 C133 H117 108.5 . . ?
C134 C133 H118 108.5 . . ?
C132 C133 H118 108.5 . . ?
H117 C133 H118 107.5 . . ?
F62 C134 F61 106.7(4) . . ?
F62 C134 C133 111.4(5) . . ?
F61 C134 C133 111.4(5) . . ?
F62 C134 C135 106.9(4) . . ?
F61 C134 C135 106.5(4) . . ?
C133 C134 C135 113.6(5) . . ?
F64 C135 F65 107.9(5) . . ?
F64 C135 F63 108.4(5) . . ?
F65 C135 F63 107.7(6) . . ?
F64 C135 C134 111.3(5) . . ?
F65 C135 C134 111.2(5) . . ?
F63 C135 C134 110.2(5) . . ?
C102 O14 C136 105.5(15) . . ?
O14 C136 C137 107.2(16) . . ?
O14 C136 H119 110.3 . . ?
C137 C136 H119 110.3 . . ?
O14 C136 H120 110.3 . . ?
C137 C136 H120 110.3 . . ?
H119 C136 H120 108.5 . . ?
C136 C137 C138 111.2(17) . . ?
C136 C137 H121 109.4 . . ?
C138 C137 H121 109.4 . . ?
C136 C137 H122 109.4 . . ?
C138 C137 H122 109.4 . . ?
H121 C137 H122 108.0 . . ?
C139 C138 C137 110.0(14) . . ?
C139 C138 H123 109.7 . . ?
C137 C138 H123 109.7 . . ?
C139 C138 H124 109.7 . . ?
C137 C138 H124 109.7 . . ?
H123 C138 H124 108.2 . . ?
F66 C139 F67 106.9(13) . . ?
F66 C139 C138 112.2(12) . . ?
F67 C139 C138 110.6(12) . . ?
F66 C139 C140 105.1(11) . . ?
F67 C139 C140 106.1(12) . . ?
C138 C139 C140 115.3(13) . . ?
F69 C140 F68 108.6(17) . . ?
F69 C140 F70 109.8(17) . . ?
F68 C140 F70 111.5(16) . . ?
F69 C140 C139 109.5(14) . . ?
F68 C140 C139 110.0(13) . . ?
F70 C140 C139 107.5(13) . . ?
C105 O15 C141 118.2(3) . . ?
O15 C141 C142 106.4(3) . . ?
O15 C141 H125 110.5 . . ?
C142 C141 H125 110.5 . . ?
O15 C141 H126 110.5 . . ?
C142 C141 H126 110.5 . . ?
H125 C141 H126 108.6 . . ?
C141 C142 C143 111.0(3) . . ?
C141 C142 H127 109.4 . . ?
C143 C142 H127 109.4 . . ?
C141 C142 H128 109.4 . . ?
C143 C142 H128 109.4 . . ?
H127 C142 H128 108.0 . . ?
C144 C143 C142 111.7(4) . . ?
C144 C143 H129 109.3 . . ?
C142 C143 H129 109.3 . . ?
C144 C143 H130 109.3 . . ?
C142 C143 H130 109.3 . . ?
H129 C143 H130 107.9 . . ?
F72 C144 F71 105.6(4) . . ?
F72 C144 C143 111.9(4) . . ?
F71 C144 C143 110.9(3) . . ?
F72 C144 C145 109.0(4) . . ?
F71 C144 C145 105.5(4) . . ?
C143 C144 C145 113.4(4) . . ?
F75 C145 F74 108.5(6) . . ?
F75 C145 F73 109.6(5) . . ?
F74 C145 F73 107.1(4) . . ?
F75 C145 C144 112.8(4) . . ?
F74 C145 C144 107.8(5) . . ?
F73 C145 C144 110.8(5) . . ?
C108 O16 C146 126.2(6) . . ?
O16 C146 C147 110.9(6) . . ?
O16 C146 H131 109.5 . . ?
C147 C146 H131 109.5 . . ?
O16 C146 H132 109.5 . . ?
C147 C146 H132 109.5 . . ?
H131 C146 H132 108.1 . . ?
C146 C147 C148 110.0(6) . . ?
C146 C147 H133 109.7 . . ?
C148 C147 H133 109.7 . . ?
C146 C147 H134 109.7 . . ?
C148 C147 H134 109.7 . . ?
H133 C147 H134 108.2 . . ?
C149 C148 C147 114.4(5) . . ?
C149 C148 H135 108.7 . . ?
C147 C148 H135 108.7 . . ?
C149 C148 H136 108.7 . . ?
C147 C148 H136 108.7 . . ?
H135 C148 H136 107.6 . . ?
F76 C149 F77 106.3(5) . . ?
F76 C149 C148 111.1(6) . . ?
F77 C149 C148 110.5(5) . . ?
F76 C149 C150 107.4(5) . . ?
F77 C149 C150 104.8(6) . . ?
C148 C149 C150 116.1(5) . . ?
F79 C150 F78 108.9(6) . . ?
F79 C150 F80 108.1(5) . . ?
F78 C150 F80 106.3(6) . . ?
F79 C150 C149 113.4(6) . . ?
F78 C150 C149 110.4(5) . . ?
F80 C150 C149 109.5(6) . . ?
C108 O17 C151 102.3(11) . . ?
O17 C151 C152 104.3(11) . . ?
O17 C151 H137 110.9 . . ?
C152 C151 H137 110.9 . . ?
O17 C151 H138 110.9 . . ?
C152 C151 H138 110.9 . . ?
H137 C151 H138 108.9 . . ?
C153 C152 C151 110.2(12) . . ?
C153 C152 H139 109.6 . . ?
C151 C152 H139 109.6 . . ?
C153 C152 H140 109.6 . . ?
C151 C152 H140 109.6 . . ?
H139 C152 H140 108.1 . . ?
C154 C153 C152 114.1(11) . . ?
C154 C153 H141 108.7 . . ?
C152 C153 H141 108.7 . . ?
C154 C153 H142 108.7 . . ?
C152 C153 H142 108.7 . . ?
H141 C153 H142 107.6 . . ?
F81 C154 F82 106.5(11) . . ?
F81 C154 C153 111.5(11) . . ?
F82 C154 C153 112.3(10) . . ?
F81 C154 C155 105.8(10) . . ?
F82 C154 C155 105.7(9) . . ?
C153 C154 C155 114.3(10) . . ?
F84 C155 F83 107.0(13) . . ?
F84 C155 F85 106.4(12) . . ?
F83 C155 F85 110.2(12) . . ?
F84 C155 C154 112.9(10) . . ?
F83 C155 C154 111.0(11) . . ?
F85 C155 C154 109.2(10) . . ?
C111 O18 C156 117.9(5) . . ?
O18 C156 C157 108.8(5) . . ?
O18 C156 H143 109.9 . . ?
C157 C156 H143 109.9 . . ?
O18 C156 H144 109.9 . . ?
C157 C156 H144 109.9 . . ?
H143 C156 H144 108.3 . . ?
C156 C157 C158 110.4(5) . . ?
C156 C157 H145 109.6 . . ?
C158 C157 H145 109.6 . . ?
C156 C157 H146 109.6 . . ?
C158 C157 H146 109.6 . . ?
H145 C157 H146 108.1 . . ?
C159 C158 C157 113.6(5) . . ?
C159 C158 H147 108.9 . . ?
C157 C158 H147 108.9 . . ?
C159 C158 H148 108.9 . . ?
C157 C158 H148 108.9 . . ?
H147 C158 H148 107.7 . . ?
F87 C159 F86 104.7(5) . . ?
F87 C159 C158 112.1(5) . . ?
F86 C159 C158 111.0(5) . . ?
F87 C159 C160 106.9(5) . . ?
F86 C159 C160 105.5(5) . . ?
C158 C159 C160 115.9(5) . . ?
F88 C160 F90 108.4(7) . . ?
F88 C160 F89 108.6(7) . . ?
F90 C160 F89 107.3(7) . . ?
F88 C160 C159 113.5(7) . . ?
F90 C160 C159 109.8(6) . . ?
F89 C160 C159 109.0(5) . . ?
C111 O19 C161 97.3(17) . . ?
O19 C161 C162 102.7(15) . . ?
O19 C161 H149 111.2 . . ?
C162 C161 H149 111.2 . . ?
O19 C161 H150 111.2 . . ?
C162 C161 H150 111.2 . . ?
H149 C161 H150 109.1 . . ?
C163 C162 C161 114.2(19) . . ?
C163 C162 H151 108.7 . . ?
C161 C162 H151 108.7 . . ?
C163 C162 H152 108.7 . . ?
C161 C162 H152 108.7 . . ?
H151 C162 H152 107.6 . . ?
C164 C163 C162 115.9(18) . . ?
C164 C163 H153 108.3 . . ?
C162 C163 H153 108.3 . . ?
C164 C163 H154 108.3 . . ?
C162 C163 H154 108.3 . . ?
H153 C163 H154 107.4 . . ?
F92 C164 F91 100.3(17) . . ?
F92 C164 C163 112.9(17) . . ?
F91 C164 C163 112.4(17) . . ?
F92 C164 C165 107.4(16) . . ?
F91 C164 C165 104.9(15) . . ?
C163 C164 C165 117.2(14) . . ?
F94 C165 F93 111(2) . . ?
F94 C165 F95 103.4(18) . . ?
F93 C165 F95 107(2) . . ?
F94 C165 C164 112.3(16) . . ?
F93 C165 C164 110.3(18) . . ?
F95 C165 C164 112.0(16) . . ?
C114 O20 C166 117.5(4) . . ?
O20 C166 C167 109.7(4) . . ?
O20 C166 H155 109.7 . . ?
C167 C166 H155 109.7 . . ?
O20 C166 H156 109.7 . . ?
C167 C166 H156 109.7 . . ?
H155 C166 H156 108.2 . . ?
C168 C167 C166 110.7(5) . . ?
C168 C167 H157 109.5 . . ?
C166 C167 H157 109.5 . . ?
C168 C167 H158 109.5 . . ?
C166 C167 H158 109.5 . . ?
H157 C167 H158 108.1 . . ?
C167 C168 C169 113.9(5) . . ?
C167 C168 H159 108.8 . . ?
C169 C168 H159 108.8 . . ?
C167 C168 H160 108.8 . . ?
C169 C168 H160 108.8 . . ?
H159 C168 H160 107.7 . . ?
F96 C169 F97 104.1(5) . . ?
F96 C169 C168 109.5(5) . . ?
F97 C169 C168 110.5(5) . . ?
F96 C169 C170 107.7(5) . . ?
F97 C169 C170 108.0(6) . . ?
C168 C169 C170 116.2(6) . . ?
F99 C170 F100 109.5(7) . . ?
F99 C170 F98 107.9(6) . . ?
F100 C170 F98 106.6(6) . . ?
F99 C170 C169 111.5(6) . . ?
F100 C170 C169 110.4(6) . . ?
F98 C170 C169 110.8(6) . . ?
C117 O21 C171 118.3(4) . . ?
O21 C171 C172 106.0(4) . . ?
O21 C171 H161 110.5 . . ?
C172 C171 H161 110.5 . . ?
O21 C171 H162 110.5 . . ?
C172 C171 H162 110.5 . . ?
H161 C171 H162 108.7 . . ?
C173 C172 C171 111.3(4) . . ?
C173 C172 H163 109.4 . . ?
C171 C172 H163 109.4 . . ?
C173 C172 H164 109.4 . . ?
C171 C172 H164 109.4 . . ?
H163 C172 H164 108.0 . . ?
C174 C173 C172 112.6(4) . . ?
C174 C173 H165 109.1 . . ?
C172 C173 H165 109.1 . . ?
C174 C173 H166 109.1 . . ?
C172 C173 H166 109.1 . . ?
H165 C173 H166 107.8 . . ?
F102 C174 F101 105.3(3) . . ?
F102 C174 C173 110.9(4) . . ?
F101 C174 C173 111.7(4) . . ?
F102 C174 C175 106.2(4) . . ?
F101 C174 C175 106.7(4) . . ?
C173 C174 C175 115.5(4) . . ?
F104 C175 F103 109.1(5) . . ?
F104 C175 F105 108.9(4) . . ?
F103 C175 F105 107.7(5) . . ?
F104 C175 C174 110.6(5) . . ?
F103 C175 C174 111.3(4) . . ?
F105 C175 C174 109.1(4) . . ?
C120 O22 C176 111.3(5) . . ?
O22 C176 C177 105.8(7) . . ?
O22 C176 H167 110.6 . . ?
C177 C176 H167 110.6 . . ?
O22 C176 H168 110.6 . . ?
C177 C176 H168 110.6 . . ?
H167 C176 H168 108.7 . . ?
C178 C177 C176 113.1(8) . . ?
C178 C177 H169 109.0 . . ?
C176 C177 H169 109.0 . . ?
C178 C177 H170 109.0 . . ?
C176 C177 H170 109.0 . . ?
H169 C177 H170 107.8 . . ?
C179 C178 C177 114.5(12) . . ?
C179 C178 H171 108.6 . . ?
C177 C178 H171 108.6 . . ?
C179 C178 H172 108.6 . . ?
C177 C178 H172 108.6 . . ?
H171 C178 H172 107.6 . . ?
F106 C179 C180 105.6(18) . . ?
F106 C179 C178 113.0(12) . . ?
C180 C179 C178 116.6(14) . . ?
F106 C179 F107 107.2(12) . . ?
C180 C179 F107 103.3(14) . . ?
C178 C179 F107 110.5(16) . . ?
F110 C180 F109 114(2) . . ?
F110 C180 C179 113.6(19) . . ?
F109 C180 C179 119(2) . . ?
F110 C180 F108 106.9(16) . . ?
F109 C180 F108 87.0(14) . . ?
C179 C180 F108 112.4(16) . . ?
C181 O23 C120 127.2(8) . . ?
O23 C181 C182 109.7(9) . . ?
O23 C181 H173 109.7 . . ?
C182 C181 H173 109.7 . . ?
O23 C181 H174 109.7 . . ?
C182 C181 H174 109.7 . . ?
H173 C181 H174 108.2 . . ?
C181 C182 C183 113.4(9) . . ?
C181 C182 H175 108.9 . . ?
C183 C182 H175 108.9 . . ?
C181 C182 H176 108.9 . . ?
C183 C182 H176 108.9 . . ?
H175 C182 H176 107.7 . . ?
C184 C183 C182 114.0(9) . . ?
C184 C183 H177 108.7 . . ?
C182 C183 H177 108.7 . . ?
C184 C183 H178 108.7 . . ?
C182 C183 H178 108.7 . . ?
H177 C183 H178 107.6 . . ?
F112 C184 F111 107.2(11) . . ?
F112 C184 C183 111.7(11) . . ?
F111 C184 C183 107.7(9) . . ?
F112 C184 C185 102.9(11) . . ?
F111 C184 C185 109.5(11) . . ?
C183 C184 C185 117.3(11) . . ?
F113 C185 F115 112.7(13) . . ?
F113 C185 F114 127.3(15) . . ?
F115 C185 F114 92.5(13) . . ?
F113 C185 C184 112.2(13) . . ?
F115 C185 C184 106.7(12) . . ?
F114 C185 C184 102.7(12) . . ?
C123 O24 C186 116.2(2) . . ?
O24 C186 C187 106.4(2) . . ?
O24 C186 H179 110.4 . . ?
C187 C186 H179 110.4 . . ?
O24 C186 H180 110.4 . . ?
C187 C186 H180 110.4 . . ?
H179 C186 H180 108.6 . . ?
C186 C187 C188 109.9(3) . . ?
C186 C187 H181 109.7 . . ?
C188 C187 H181 109.7 . . ?
C186 C187 H182 109.7 . . ?
C188 C187 H182 109.7 . . ?
H181 C187 H182 108.2 . . ?
C189 C188 C187 112.3(3) . . ?
C189 C188 H183 109.2 . . ?
C187 C188 H183 109.2 . . ?
C189 C188 H184 109.2 . . ?
C187 C188 H184 109.2 . . ?
H183 C188 H184 107.9 . . ?
F117 C189 F116 106.3(3) . . ?
F117 C189 C188 111.2(3) . . ?
F116 C189 C188 110.7(3) . . ?
F117 C189 C190 106.6(3) . . ?
F116 C189 C190 106.5(3) . . ?
C188 C189 C190 115.1(3) . . ?
F118 C190 F120 109.0(3) . . ?
F118 C190 F119 108.3(3) . . ?
F120 C190 F119 108.1(3) . . ?
F118 C190 C189 111.4(3) . . ?
F120 C190 C189 110.7(3) . . ?
F119 C190 C189 109.2(3) . . ?
C126 O25 C191 118.0(13) . . ?
O25 C191 C192 106.7(11) . . ?
O25 C191 H185 110.4 . . ?
C192 C191 H185 110.4 . . ?
O25 C191 H186 110.4 . . ?
C192 C191 H186 110.4 . . ?
H185 C191 H186 108.6 . . ?
C191 C192 C193 112.4(11) . . ?
C191 C192 H187 109.1 . . ?
C193 C192 H187 109.1 . . ?
C191 C192 H188 109.1 . . ?
C193 C192 H188 109.1 . . ?
H187 C192 H188 107.9 . . ?
C194 C193 C192 111.9(12) . . ?
C194 C193 H189 109.2 . . ?
C192 C193 H189 109.2 . . ?
C194 C193 H190 109.2 . . ?
C192 C193 H190 109.2 . . ?
H189 C193 H190 107.9 . . ?
F121 C194 F122 106.7(9) . . ?
F121 C194 C193 111.9(10) . . ?
F122 C194 C193 110.8(9) . . ?
F121 C194 C195 105.6(9) . . ?
F122 C194 C195 106.0(9) . . ?
C193 C194 C195 115.2(10) . . ?
F124 C195 F123 109.0(14) . . ?
F124 C195 F125 112.2(13) . . ?
F123 C195 F125 113.5(14) . . ?
F124 C195 C194 110.2(11) . . ?
F123 C195 C194 110.0(11) . . ?
F125 C195 C194 101.8(11) . . ?
C126 O26 C196 117.0(15) . . ?
O26 C196 C197 106.7(13) . . ?
O26 C196 H191 110.4 . . ?
C197 C196 H191 110.4 . . ?
O26 C196 H192 110.4 . . ?
C197 C196 H192 110.4 . . ?
H191 C196 H192 108.6 . . ?
C196 C197 C198 116.7(17) . . ?
C196 C197 H193 108.1 . . ?
C198 C197 H193 108.1 . . ?
C196 C197 H194 108.1 . . ?
C198 C197 H194 108.1 . . ?
H193 C197 H194 107.3 . . ?
C199 C198 C197 115.8(15) . . ?
C199 C198 H195 108.3 . . ?
C197 C198 H195 108.3 . . ?
C199 C198 H196 108.3 . . ?
C197 C198 H196 108.3 . . ?
H195 C198 H196 107.4 . . ?
F126 C199 F127 105.4(12) . . ?
F126 C199 C198 113.6(13) . . ?
F127 C199 C198 110.7(14) . . ?
F126 C199 C200 103.6(9) . . ?
F127 C199 C200 104.9(11) . . ?
C198 C199 C200 117.5(11) . . ?
F129 C200 F128 101.0(13) . . ?
F129 C200 F130 104.6(13) . . ?
F128 C200 F130 116.9(15) . . ?
F129 C200 C199 114.7(12) . . ?
F128 C200 C199 110.8(12) . . ?
F130 C200 C199 108.7(11) . . ?
C129 O27 C201 117.4(2) . . ?
O27 C201 C202 107.8(2) . . ?
O27 C201 H197 110.1 . . ?
C202 C201 H197 110.1 . . ?
O27 C201 H198 110.1 . . ?
C202 C201 H198 110.1 . . ?
H197 C201 H198 108.5 . . ?
C201 C202 C203 111.7(3) . . ?
C201 C202 H199 109.3 . . ?
C203 C202 H199 109.3 . . ?
C201 C202 H200 109.3 . . ?
C203 C202 H200 109.3 . . ?
H199 C202 H200 107.9 . . ?
C204 C203 C202 115.5(3) . . ?
C204 C203 H201 108.4 . . ?
C202 C203 H201 108.4 . . ?
C204 C203 H202 108.4 . . ?
C202 C203 H202 108.4 . . ?
H201 C203 H202 107.5 . . ?
F131 C204 F132 106.0(3) . . ?
F131 C204 C203 111.0(3) . . ?
F132 C204 C203 109.1(3) . . ?
F131 C204 C205 106.9(3) . . ?
F132 C204 C205 106.1(3) . . ?
C203 C204 C205 117.1(3) . . ?
F135 C205 F134 108.8(4) . . ?
F135 C205 F133 107.7(4) . . ?
F134 C205 F133 108.1(4) . . ?
F135 C205 C204 110.6(3) . . ?
F134 C205 C204 110.9(3) . . ?
F133 C205 C204 110.7(4) . . ?
C207 C206 H203 109.5 . . ?
C207 C206 H204 109.5 . . ?
H203 C206 H204 109.5 . . ?
C207 C206 H205 109.5 . . ?
H203 C206 H205 109.5 . . ?
H204 C206 H205 109.5 . . ?
C206 C207 C208 117.7(5) . . ?
C206 C207 H206 107.9 . . ?
C208 C207 H206 107.9 . . ?
C206 C207 H207 107.9 . . ?
C208 C207 H207 107.9 . . ?
H206 C207 H207 107.2 . . ?
C207 C208 C209 118.9(5) . . ?
C207 C208 H208 107.6 . . ?
C209 C208 H208 107.6 . . ?
C207 C208 H209 107.6 . . ?
C209 C208 H209 107.6 . . ?
H208 C208 H209 107.0 . . ?
C210 C209 C208 118.6(5) . . ?
C210 C209 H210 107.7 . . ?
C208 C209 H210 107.7 . . ?
C210 C209 H211 107.7 . . ?
C208 C209 H211 107.7 . . ?
H210 C209 H211 107.1 . . ?
C209 C210 C211 120.3(5) . . ?
C209 C210 H212 107.3 . . ?
C211 C210 H212 107.3 . . ?
C209 C210 H213 107.3 . . ?
C211 C210 H213 107.3 . . ?
H212 C210 H213 106.9 . . ?
C210 C211 H214 109.5 . . ?
C210 C211 H215 109.5 . . ?
H214 C211 H215 109.5 . . ?
C210 C211 H216 109.5 . . ?
H214 C211 H216 109.5 . . ?
H215 C211 H216 109.5 . . ?
C213 C212 H217 109.5 . . ?
C213 C212 H218 109.5 . . ?
H217 C212 H218 109.5 . . ?
C213 C212 H219 109.5 . . ?
H217 C212 H219 109.5 . . ?
H218 C212 H219 109.5 . . ?
C214 C213 C212 114.8(5) . . ?
C214 C213 H220 108.6 . . ?
C212 C213 H220 108.6 . . ?
C214 C213 H221 108.6 . . ?
C212 C213 H221 108.6 . . ?
H220 C213 H221 107.6 . . ?
C215 C214 C213 116.1(4) . . ?
C215 C214 H222 108.3 . . ?
C213 C214 H222 108.3 . . ?
C215 C214 H223 108.3 . . ?
C213 C214 H223 108.3 . . ?
H222 C214 H223 107.4 . . ?
C216 C215 C214 118.8(5) . . ?
C216 C215 H224 107.6 . . ?
C214 C215 H224 107.6 . . ?
C216 C215 H225 107.6 . . ?
C214 C215 H225 107.6 . . ?
H224 C215 H225 107.0 . . ?
C217 C216 C215 117.5(5) . . ?
C217 C216 H226 107.9 . . ?
C215 C216 H226 107.9 . . ?
C217 C216 H227 107.9 . . ?
C215 C216 H227 107.9 . . ?
H226 C216 H227 107.2 . . ?
C216 C217 H228 109.5 . . ?
C216 C217 H229 109.5 . . ?
H228 C217 H229 109.5 . . ?
C216 C217 H230 109.5 . . ?
H228 C217 H230 109.5 . . ?
H229 C217 H230 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C6 1.517(4) . ?
C1 C33 1.520(4) . ?
C1 H1 0.9900 . ?
C1 H2 0.9900 . ?
C2 C12 1.511(5) . ?
C2 C9 1.526(4) . ?
C2 H3 0.9900 . ?
C2 H4 0.9900 . ?
C3 C15 1.512(5) . ?
C3 C18 1.523(4) . ?
C3 H5 0.9900 . ?
C3 H6 0.9900 . ?
C4 C21 1.513(4) . ?
C4 C24 1.521(4) . ?
C4 H7 0.9900 . ?
C4 H8 0.9900 . ?
C5 C27 1.513(4) . ?
C5 C30 1.525(4) . ?
C5 H9 0.9900 . ?
C5 H10 0.9900 . ?
C6 C11 1.388(5) . ?
C6 C7 1.401(4) . ?
C7 O1 1.381(4) . ?
C7 C8 1.391(4) . ?
C7 O2 1.391(15) . ?
C8 C9 1.381(5) . ?
C8 H11 0.9500 . ?
C9 C10 1.397(4) . ?
C10 O3 1.371(4) . ?
C10 C11 1.392(4) . ?
C11 H12 0.9500 . ?
C12 C17 1.387(5) . ?
C12 C13 1.400(5) . ?
C13 C14 1.382(5) . ?
C13 O4 1.384(4) . ?
C14 C15 1.395(4) . ?
C14 H13 0.9500 . ?
C15 C16 1.398(5) . ?
C16 O5 1.389(4) . ?
C16 C17 1.392(5) . ?
C17 H14 0.9500 . ?
C18 C23 1.385(4) . ?
C18 C19 1.395(5) . ?
C19 O6 1.378(4) . ?
C19 C20 1.395(4) . ?
C20 C21 1.386(4) . ?
C20 H15 0.9500 . ?
C21 C22 1.393(5) . ?
C22 O7 1.379(4) . ?
C22 C23 1.396(4) . ?
C23 H16 0.9500 . ?
C24 C25 1.394(4) . ?
C24 C29 1.397(4) . ?
C25 C26 1.384(4) . ?
C25 O8 1.392(5) . ?
C25 O9 1.402(15) . ?
C26 C27 1.390(4) . ?
C26 H17 0.9500 . ?
C27 C28 1.404(4) . ?
C28 O10 1.383(4) . ?
C28 C29 1.383(4) . ?
C29 H18 0.9500 . ?
C30 C35 1.386(4) . ?
C30 C31 1.394(4) . ?
C31 O11 1.381(4) . ?
C31 C32 1.394(4) . ?
C32 C33 1.394(5) . ?
C32 H19 0.9500 . ?
C33 C34 1.398(4) . ?
C34 O12 1.382(4) . ?
C34 C35 1.397(4) . ?
C35 H20 0.9500 . ?
O1 C36 1.431(5) . ?
C36 C37 1.508(6) . ?
C36 H21 0.9900 . ?
C36 H22 0.9900 . ?
C37 C38 1.524(6) . ?
C37 H23 0.9900 . ?
C37 H24 0.9900 . ?
C38 C39 1.496(7) . ?
C38 H25 0.9900 . ?
C38 H26 0.9900 . ?
C39 F1 1.358(5) . ?
C39 F2 1.358(5) . ?
C39 C40 1.529(7) . ?
C40 F5 1.316(7) . ?
C40 F4 1.329(7) . ?
C40 F3 1.330(7) . ?
O2 C41 1.425(15) . ?
C41 C42 1.511(16) . ?
C41 H27 0.9900 . ?
C41 H28 0.9900 . ?
C42 C43 1.522(16) . ?
C42 H29 0.9900 . ?
C42 H30 0.9900 . ?
C43 C44 1.480(14) . ?
C43 H31 0.9900 . ?
C43 H32 0.9900 . ?
C44 F7 1.356(14) . ?
C44 F6 1.361(14) . ?
C44 C45 1.540(14) . ?
C45 F9 1.294(15) . ?
C45 F8 1.308(15) . ?
C45 F10 1.328(15) . ?
O3 C46 1.417(4) . ?
C46 C47 1.508(5) . ?
C46 H33 0.9900 . ?
C46 H34 0.9900 . ?
C47 C48 1.536(6) . ?
C47 H35 0.9900 . ?
C47 H36 0.9900 . ?
C48 C49 1.490(5) . ?
C48 H37 0.9900 . ?
C48 H38 0.9900 . ?
C49 F11 1.336(5) . ?
C49 F12 1.346(5) . ?
C49 C50 1.529(6) . ?
C50 F15 1.282(6) . ?
C50 F14 1.301(6) . ?
C50 F13 1.333(5) . ?
O4 C51 1.424(4) . ?
C51 C52 1.502(5) . ?
C51 H39 0.9900 . ?
C51 H40 0.9900 . ?
C52 C53 1.516(5) . ?
C52 H41 0.9900 . ?
C52 H42 0.9900 . ?
C53 C54 1.486(5) . ?
C53 H43 0.9900 . ?
C53 H44 0.9900 . ?
C54 F17 1.356(4) . ?
C54 F16 1.361(4) . ?
C54 C55 1.521(5) . ?
C55 F20 1.313(5) . ?
C55 F18 1.324(4) . ?
C55 F19 1.330(5) . ?
O5 C56 1.448(4) . ?
C56 C57 1.506(5) . ?
C56 H45 0.9900 . ?
C56 H46 0.9900 . ?
C57 C58 1.512(6) . ?
C57 H47 0.9900 . ?
C57 H48 0.9900 . ?
C58 C59 1.486(6) . ?
C58 H49 0.9900 . ?
C58 H50 0.9900 . ?
C59 F22 1.357(6) . ?
C59 F21 1.377(5) . ?
C59 C60 1.498(9) . ?
C60 F25 1.318(8) . ?
C60 F23 1.320(7) . ?
C60 F24 1.340(6) . ?
O6 C61 1.425(4) . ?
C61 C62 1.512(4) . ?
C61 H51 0.9900 . ?
C61 H52 0.9900 . ?
C62 C63 1.523(5) . ?
C62 H53 0.9900 . ?
C62 H54 0.9900 . ?
C63 C64 1.511(5) . ?
C63 H55 0.9900 . ?
C63 H56 0.9900 . ?
C64 F26 1.358(5) . ?
C64 F27 1.358(5) . ?
C64 C65 1.512(6) . ?
C65 F28 1.317(5) . ?
C65 F30 1.330(7) . ?
C65 F29 1.336(7) . ?
O7 C66 1.416(4) . ?
C66 C67 1.515(4) . ?
C66 H57 0.9900 . ?
C66 H58 0.9900 . ?
C67 C68 1.526(5) . ?
C67 H59 0.9900 . ?
C67 H60 0.9900 . ?
C68 C69 1.501(5) . ?
C68 H61 0.9900 . ?
C68 H62 0.9900 . ?
C69 F31 1.361(4) . ?
C69 F32 1.365(4) . ?
C69 C70 1.509(5) . ?
C70 F34 1.314(5) . ?
C70 F33 1.323(4) . ?
C70 F35 1.330(5) . ?
O8 C71 1.419(4) . ?
C71 C72 1.510(5) . ?
C71 H63 0.9900 . ?
C71 H64 0.9900 . ?
C72 C73 1.524(5) . ?
C72 H65 0.9900 . ?
C72 H66 0.9900 . ?
C73 C74 1.485(6) . ?
C73 H67 0.9900 . ?
C73 H68 0.9900 . ?
C74 F37 1.332(6) . ?
C74 F36 1.368(5) . ?
C74 C75 1.539(7) . ?
C75 F38 1.295(9) . ?
C75 F39 1.303(9) . ?
C75 F40 1.373(9) . ?
O9 C76 1.424(15) . ?
C76 C77 1.511(15) . ?
C76 H69 0.9900 . ?
C76 H70 0.9900 . ?
C77 C78 1.516(15) . ?
C77 H71 0.9900 . ?
C77 H72 0.9900 . ?
C78 C79 1.473(14) . ?
C78 H73 0.9900 . ?
C78 H74 0.9900 . ?
C79 F42 1.362(14) . ?
C79 F41 1.363(15) . ?
C79 C80 1.539(14) . ?
C80 F43 1.300(15) . ?
C80 F44 1.305(15) . ?
C80 F45 1.319(15) . ?
O10 C81 1.423(4) . ?
C81 C82 1.509(5) . ?
C81 H75 0.9900 . ?
C81 H76 0.9900 . ?
C82 C83 1.527(5) . ?
C82 H77 0.9900 . ?
C82 H78 0.9900 . ?
C83 C84 1.500(5) . ?
C83 H79 0.9900 . ?
C83 H80 0.9900 . ?
C84 F47 1.352(5) . ?
C84 F46 1.364(4) . ?
C84 C85 1.532(6) . ?
C85 F50 1.320(6) . ?
C85 F48 1.320(5) . ?
C85 F49 1.341(5) . ?
O11 C86 1.426(4) . ?
C86 C87 1.504(5) . ?
C86 H81 0.9900 . ?
C86 H82 0.9900 . ?
C87 C88 1.509(5) . ?
C87 H83 0.9900 . ?
C87 H84 0.9900 . ?
C88 C89 1.460(6) . ?
C88 H85 0.9900 . ?
C88 H86 0.9900 . ?
C89 F51 1.362(5) . ?
C89 F52 1.368(6) . ?
C89 C90 1.540(7) . ?
C90 F54 1.289(7) . ?
C90 F53 1.298(6) . ?
C90 F55 1.346(7) . ?
O12 C91 1.427(4) . ?
C91 C92 1.516(5) . ?
C91 H87 0.9900 . ?
C91 H88 0.9900 . ?
C92 C93 1.528(5) . ?
C92 H89 0.9900 . ?
C92 H90 0.9900 . ?
C93 C94 1.504(5) . ?
C93 H91 0.9900 . ?
C93 H92 0.9900 . ?
C94 F57 1.367(5) . ?
C94 F56 1.399(5) . ?
C94 C95 1.494(6) . ?
C95 F59 1.323(6) . ?
C95 F60 1.330(5) . ?
C95 F58 1.356(6) . ?
C96 C101 1.518(4) . ?
C96 C128 1.521(4) . ?
C96 H93 0.9900 . ?
C96 H94 0.9900 . ?
C97 C107 1.516(5) . ?
C97 C104 1.525(4) . ?
C97 H95 0.9900 . ?
C97 H96 0.9900 . ?
C98 C110 1.515(5) . ?
C98 C113 1.517(6) . ?
C98 H97 0.9900 . ?
C98 H98 0.9900 . ?
C99 C116 1.515(6) . ?
C99 C119 1.518(6) . ?
C99 H99 0.9900 . ?
C99 H100 0.9900 . ?
C100 C122 1.510(5) . ?
C100 C125 1.526(4) . ?
C100 H101 0.9900 . ?
C100 H102 0.9900 . ?
C101 C106 1.381(5) . ?
C101 C102 1.399(5) . ?
C102 O14 1.379(14) . ?
C102 O13 1.391(7) . ?
C102 C103 1.393(4) . ?
C103 C104 1.383(5) . ?
C103 H103 0.9500 . ?
C104 C105 1.394(5) . ?
C105 O15 1.373(4) . ?
C105 C106 1.391(4) . ?
C106 H104 0.9500 . ?
C107 C112 1.388(5) . ?
C107 C108 1.396(6) . ?
C108 O17 1.362(13) . ?
C108 C109 1.392(5) . ?
C108 O16 1.410(7) . ?
C109 C110 1.391(6) . ?
C109 H105 0.9500 . ?
C110 C111 1.395(7) . ?
C111 O19 1.383(15) . ?
C111 C112 1.392(6) . ?
C111 O18 1.416(6) . ?
C112 H106 0.9500 . ?
C113 C118 1.391(7) . ?
C113 C114 1.392(8) . ?
C114 O20 1.376(6) . ?
C114 C115 1.409(6) . ?
C115 C116 1.378(6) . ?
C115 H107 0.9500 . ?
C116 C117 1.398(8) . ?
C117 O21 1.386(6) . ?
C117 C118 1.410(6) . ?
C118 H108 0.9500 . ?
C119 C124 1.385(5) . ?
C119 C120 1.397(7) . ?
C120 O22 1.380(6) . ?
C120 C121 1.383(6) . ?
C120 O23 1.465(10) . ?
C121 C122 1.399(5) . ?
C121 H109 0.9500 . ?
C122 C123 1.395(5) . ?
C123 O24 1.375(4) . ?
C123 C124 1.390(5) . ?
C124 H110 0.9500 . ?
C125 C130 1.388(4) . ?
C125 C126 1.394(4) . ?
C126 O25 1.389(10) . ?
C126 C127 1.397(4) . ?
C126 O26 1.406(11) . ?
C127 C128 1.394(4) . ?
C127 H111 0.9500 . ?
C128 C129 1.392(4) . ?
C129 O27 1.386(4) . ?
C129 C130 1.388(4) . ?
C130 H112 0.9500 . ?
O13 C131 1.435(7) . ?
C131 C132 1.510(8) . ?
C131 H113 0.9900 . ?
C131 H114 0.9900 . ?
C132 C133 1.530(8) . ?
C132 H115 0.9900 . ?
C132 H116 0.9900 . ?
C133 C134 1.493(7) . ?
C133 H117 0.9900 . ?
C133 H118 0.9900 . ?
C134 F62 1.358(6) . ?
C134 F61 1.359(6) . ?
C134 C135 1.543(7) . ?
C135 F64 1.308(7) . ?
C135 F65 1.313(7) . ?
C135 F63 1.323(7) . ?
O14 C136 1.421(13) . ?
C136 C137 1.505(14) . ?
C136 H119 0.9900 . ?
C136 H120 0.9900 . ?
C137 C138 1.531(14) . ?
C137 H121 0.9900 . ?
C137 H122 0.9900 . ?
C138 C139 1.486(13) . ?
C138 H123 0.9900 . ?
C138 H124 0.9900 . ?
C139 F66 1.336(13) . ?
C139 F67 1.360(13) . ?
C139 C140 1.542(13) . ?
C140 F69 1.290(14) . ?
C140 F68 1.309(14) . ?
C140 F70 1.323(14) . ?
O15 C141 1.416(4) . ?
C141 C142 1.509(5) . ?
C141 H125 0.9900 . ?
C141 H126 0.9900 . ?
C142 C143 1.535(6) . ?
C142 H127 0.9900 . ?
C142 H128 0.9900 . ?
C143 C144 1.499(6) . ?
C143 H129 0.9900 . ?
C143 H130 0.9900 . ?
C144 F72 1.337(5) . ?
C144 F71 1.340(5) . ?
C144 C145 1.531(7) . ?
C145 F75 1.268(8) . ?
C145 F74 1.327(6) . ?
C145 F73 1.332(6) . ?
O16 C146 1.411(8) . ?
C146 C147 1.511(8) . ?
C146 H131 0.9900 . ?
C146 H132 0.9900 . ?
C147 C148 1.524(9) . ?
C147 H133 0.9900 . ?
C147 H134 0.9900 . ?
C148 C149 1.490(7) . ?
C148 H135 0.9900 . ?
C148 H136 0.9900 . ?
C149 F76 1.355(7) . ?
C149 F77 1.370(7) . ?
C149 C150 1.520(8) . ?
C150 F79 1.306(7) . ?
C150 F78 1.322(8) . ?
C150 F80 1.332(7) . ?
O17 C151 1.415(12) . ?
C151 C152 1.512(13) . ?
C151 H137 0.9900 . ?
C151 H138 0.9900 . ?
C152 C153 1.510(12) . ?
C152 H139 0.9900 . ?
C152 H140 0.9900 . ?
C153 C154 1.481(12) . ?
C153 H141 0.9900 . ?
C153 H142 0.9900 . ?
C154 F81 1.339(12) . ?
C154 F82 1.355(12) . ?
C154 C155 1.535(12) . ?
C155 F84 1.312(12) . ?
C155 F83 1.320(13) . ?
C155 F85 1.325(12) . ?
O18 C156 1.425(8) . ?
C156 C157 1.509(7) . ?
C156 H143 0.9900 . ?
C156 H144 0.9900 . ?
C157 C158 1.525(7) . ?
C157 H145 0.9900 . ?
C157 H146 0.9900 . ?
C158 C159 1.486(7) . ?
C158 H147 0.9900 . ?
C158 H148 0.9900 . ?
C159 F87 1.340(7) . ?
C159 F86 1.362(6) . ?
C159 C160 1.526(8) . ?
C160 F88 1.305(9) . ?
C160 F90 1.325(8) . ?
C160 F89 1.341(8) . ?
O19 C161 1.427(15) . ?
C161 C162 1.529(15) . ?
C161 H149 0.9900 . ?
C161 H150 0.9900 . ?
C162 C163 1.516(14) . ?
C162 H151 0.9900 . ?
C162 H152 0.9900 . ?
C163 C164 1.472(14) . ?
C163 H153 0.9900 . ?
C163 H154 0.9900 . ?
C164 F92 1.355(15) . ?
C164 F91 1.358(14) . ?
C164 C165 1.530(13) . ?
C165 F94 1.287(14) . ?
C165 F93 1.308(15) . ?
C165 F95 1.318(14) . ?
O20 C166 1.430(7) . ?
C166 C167 1.508(6) . ?
C166 H155 0.9900 . ?
C166 H156 0.9900 . ?
C167 C168 1.504(9) . ?
C167 H157 0.9900 . ?
C167 H158 0.9900 . ?
C168 C169 1.505(7) . ?
C168 H159 0.9900 . ?
C168 H160 0.9900 . ?
C169 F96 1.356(7) . ?
C169 F97 1.361(6) . ?
C169 C170 1.514(10) . ?
C170 F99 1.314(8) . ?
C170 F100 1.325(8) . ?
C170 F98 1.346(7) . ?
O21 C171 1.412(7) . ?
C171 C172 1.519(6) . ?
C171 H161 0.9900 . ?
C171 H162 0.9900 . ?
C172 C173 1.517(8) . ?
C172 H163 0.9900 . ?
C172 H164 0.9900 . ?
C173 C174 1.496(6) . ?
C173 H165 0.9900 . ?
C173 H166 0.9900 . ?
C174 F102 1.364(5) . ?
C174 F101 1.365(5) . ?
C174 C175 1.523(8) . ?
C175 F104 1.312(6) . ?
C175 F103 1.325(6) . ?
C175 F105 1.337(6) . ?
O22 C176 1.397(10) . ?
C176 C177 1.532(10) . ?
C176 H167 0.9900 . ?
C176 H168 0.9900 . ?
C177 C178 1.493(12) . ?
C177 H169 0.9900 . ?
C177 H170 0.9900 . ?
C178 C179 1.474(16) . ?
C178 H171 0.9900 . ?
C178 H172 0.9900 . ?
C179 F106 1.336(18) . ?
C179 C180 1.43(3) . ?
C179 F107 1.49(2) . ?
C180 F110 1.27(2) . ?
C180 F109 1.29(2) . ?
C180 F108 1.451(19) . ?
O23 C181 1.426(13) . ?
C181 C182 1.513(15) . ?
C181 H173 0.9900 . ?
C181 H174 0.9900 . ?
C182 C183 1.544(14) . ?
C182 H175 0.9900 . ?
C182 H176 0.9900 . ?
C183 C184 1.492(16) . ?
C183 H177 0.9900 . ?
C183 H178 0.9900 . ?
C184 F112 1.306(17) . ?
C184 F111 1.349(13) . ?
C184 C185 1.497(17) . ?
C185 F113 1.27(2) . ?
C185 F115 1.364(19) . ?
C185 F114 1.42(2) . ?
O24 C186 1.422(4) . ?
C186 C187 1.511(5) . ?
C186 H179 0.9900 . ?
C186 H180 0.9900 . ?
C187 C188 1.524(5) . ?
C187 H181 0.9900 . ?
C187 H182 0.9900 . ?
C188 C189 1.505(5) . ?
C188 H183 0.9900 . ?
C188 H184 0.9900 . ?
C189 F117 1.361(4) . ?
C189 F116 1.367(4) . ?
C189 C190 1.534(5) . ?
C190 F118 1.320(5) . ?
C190 F120 1.324(5) . ?
C190 F119 1.342(4) . ?
O25 C191 1.425(10) . ?
C191 C192 1.525(12) . ?
C191 H185 0.9900 . ?
C191 H186 0.9900 . ?
C192 C193 1.530(10) . ?
C192 H187 0.9900 . ?
C192 H188 0.9900 . ?
C193 C194 1.464(12) . ?
C193 H189 0.9900 . ?
C193 H190 0.9900 . ?
C194 F121 1.348(11) . ?
C194 F122 1.368(11) . ?
C194 C195 1.572(12) . ?
C195 F124 1.266(12) . ?
C195 F123 1.304(14) . ?
C195 F125 1.309(13) . ?
O26 C196 1.432(12) . ?
C196 C197 1.514(13) . ?
C196 H191 0.9900 . ?
C196 H192 0.9900 . ?
C197 C198 1.516(13) . ?
C197 H193 0.9900 . ?
C197 H194 0.9900 . ?
C198 C199 1.451(12) . ?
C198 H195 0.9900 . ?
C198 H196 0.9900 . ?
C199 F126 1.357(11) . ?
C199 F127 1.367(13) . ?
C199 C200 1.543(12) . ?
C200 F129 1.235(13) . ?
C200 F128 1.291(14) . ?
C200 F130 1.331(13) . ?
O27 C201 1.426(4) . ?
C201 C202 1.515(4) . ?
C201 H197 0.9900 . ?
C201 H198 0.9900 . ?
C202 C203 1.523(5) . ?
C202 H199 0.9900 . ?
C202 H200 0.9900 . ?
C203 C204 1.502(5) . ?
C203 H201 0.9900 . ?
C203 H202 0.9900 . ?
C204 F131 1.356(4) . ?
C204 F132 1.388(4) . ?
C204 C205 1.506(5) . ?
C205 F135 1.313(5) . ?
C205 F134 1.324(5) . ?
C205 F133 1.344(5) . ?
C206 C207 1.453(9) . ?
C206 H203 0.9800 . ?
C206 H204 0.9800 . ?
C206 H205 0.9800 . ?
C207 C208 1.477(9) . ?
C207 H206 0.9900 . ?
C207 H207 0.9900 . ?
C208 C209 1.480(9) . ?
C208 H208 0.9900 . ?
C208 H209 0.9900 . ?
C209 C210 1.461(9) . ?
C209 H210 0.9900 . ?
C209 H211 0.9900 . ?
C210 C211 1.546(9) . ?
C210 H212 0.9900 . ?
C210 H213 0.9900 . ?
C211 H214 0.9800 . ?
C211 H215 0.9800 . ?
C211 H216 0.9800 . ?
C212 C213 1.501(9) . ?
C212 H217 0.9800 . ?
C212 H218 0.9800 . ?
C212 H219 0.9800 . ?
C213 C214 1.500(9) . ?
C213 H220 0.9900 . ?
C213 H221 0.9900 . ?
C214 C215 1.499(9) . ?
C214 H222 0.9900 . ?
C214 H223 0.9900 . ?
C215 C216 1.480(9) . ?
C215 H224 0.9900 . ?
C215 H225 0.9900 . ?
C216 C217 1.479(10) . ?
C216 H226 0.9900 . ?
C216 H227 0.9900 . ?
C217 H228 0.9800 . ?
C217 H229 0.9800 . ?
C217 H230 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C33 C1 C6 C11 -84.7(3) . . . . ?
C33 C1 C6 C7 92.9(3) . . . . ?
C11 C6 C7 O1 177.8(3) . . . . ?
C1 C6 C7 O1 0.2(4) . . . . ?
C11 C6 C7 C8 -1.8(4) . . . . ?
C1 C6 C7 C8 -179.4(3) . . . . ?
C11 C6 C7 O2 -171(3) . . . . ?
C1 C6 C7 O2 11(3) . . . . ?
O1 C7 C8 C9 -177.5(3) . . . . ?
O2 C7 C8 C9 173(3) . . . . ?
C6 C7 C8 C9 2.0(4) . . . . ?
C7 C8 C9 C10 0.2(4) . . . . ?
C7 C8 C9 C2 178.6(3) . . . . ?
C12 C2 C9 C8 -90.9(3) . . . . ?
C12 C2 C9 C10 87.5(4) . . . . ?
C8 C9 C10 O3 177.8(3) . . . . ?
C2 C9 C10 O3 -0.6(4) . . . . ?
C8 C9 C10 C11 -2.4(4) . . . . ?
C2 C9 C10 C11 179.2(3) . . . . ?
C7 C6 C11 C10 -0.5(4) . . . . ?
C1 C6 C11 C10 177.2(3) . . . . ?
O3 C10 C11 C6 -177.6(3) . . . . ?
C9 C10 C11 C6 2.6(5) . . . . ?
C9 C2 C12 C17 -89.8(4) . . . . ?
C9 C2 C12 C13 87.7(3) . . . . ?
C17 C12 C13 C14 0.9(4) . . . . ?
C2 C12 C13 C14 -176.7(3) . . . . ?
C17 C12 C13 O4 178.9(3) . . . . ?
C2 C12 C13 O4 1.3(4) . . . . ?
O4 C13 C14 C15 -177.4(3) . . . . ?
C12 C13 C14 C15 0.5(5) . . . . ?
C13 C14 C15 C16 -1.4(4) . . . . ?
C13 C14 C15 C3 177.0(3) . . . . ?
C18 C3 C15 C14 -90.0(3) . . . . ?
C18 C3 C15 C16 88.4(4) . . . . ?
C14 C15 C16 O5 178.6(3) . . . . ?
C3 C15 C16 O5 0.2(4) . . . . ?
C14 C15 C16 C17 1.0(4) . . . . ?
C3 C15 C16 C17 -177.4(3) . . . . ?
C13 C12 C17 C16 -1.3(4) . . . . ?
C2 C12 C17 C16 176.3(3) . . . . ?
O5 C16 C17 C12 -177.2(3) . . . . ?
C15 C16 C17 C12 0.4(5) . . . . ?
C15 C3 C18 C23 -95.4(3) . . . . ?
C15 C3 C18 C19 84.2(4) . . . . ?
C23 C18 C19 O6 177.6(3) . . . . ?
C3 C18 C19 O6 -2.1(4) . . . . ?
C23 C18 C19 C20 -2.2(4) . . . . ?
C3 C18 C19 C20 178.2(3) . . . . ?
O6 C19 C20 C21 -176.7(3) . . . . ?
C18 C19 C20 C21 3.1(4) . . . . ?
C19 C20 C21 C22 -1.7(4) . . . . ?
C19 C20 C21 C4 175.6(3) . . . . ?
C24 C4 C21 C20 -85.1(3) . . . . ?
C24 C4 C21 C22 92.1(3) . . . . ?
C20 C21 C22 O7 179.8(3) . . . . ?
C4 C21 C22 O7 2.6(4) . . . . ?
C20 C21 C22 C23 -0.5(4) . . . . ?
C4 C21 C22 C23 -177.8(3) . . . . ?
C19 C18 C23 C22 0.0(4) . . . . ?
C3 C18 C23 C22 179.6(3) . . . . ?
O7 C22 C23 C18 -179.0(3) . . . . ?
C21 C22 C23 C18 1.4(5) . . . . ?
C21 C4 C24 C25 93.8(3) . . . . ?
C21 C4 C24 C29 -83.1(3) . . . . ?
C29 C24 C25 C26 -1.5(4) . . . . ?
C4 C24 C25 C26 -178.4(3) . . . . ?
C29 C24 C25 O8 179.3(6) . . . . ?
C4 C24 C25 O8 2.3(6) . . . . ?
C29 C24 C25 O9 180(4) . . . . ?
C4 C24 C25 O9 3(4) . . . . ?
O8 C25 C26 C27 -178.7(6) . . . . ?
C24 C25 C26 C27 2.1(4) . . . . ?
O9 C25 C26 C27 -179(4) . . . . ?
C25 C26 C27 C28 -0.8(4) . . . . ?
C25 C26 C27 C5 177.9(3) . . . . ?
C30 C5 C27 C26 -90.3(3) . . . . ?
C30 C5 C27 C28 88.4(3) . . . . ?
C26 C27 C28 O10 178.8(2) . . . . ?
C5 C27 C28 O10 0.0(4) . . . . ?
C26 C27 C28 C29 -1.0(4) . . . . ?
C5 C27 C28 C29 -179.8(3) . . . . ?
O10 C28 C29 C24 -178.1(3) . . . . ?
C27 C28 C29 C24 1.6(4) . . . . ?
C25 C24 C29 C28 -0.4(4) . . . . ?
C4 C24 C29 C28 176.7(3) . . . . ?
C27 C5 C30 C35 -92.3(3) . . . . ?
C27 C5 C30 C31 86.1(4) . . . . ?
C35 C30 C31 O11 179.5(3) . . . . ?
C5 C30 C31 O11 1.0(4) . . . . ?
C35 C30 C31 C32 0.1(4) . . . . ?
C5 C30 C31 C32 -178.4(3) . . . . ?
O11 C31 C32 C33 -178.6(3) . . . . ?
C30 C31 C32 C33 0.7(5) . . . . ?
C31 C32 C33 C34 -1.0(4) . . . . ?
C31 C32 C33 C1 176.4(3) . . . . ?
C6 C1 C33 C32 -90.9(3) . . . . ?
C6 C1 C33 C34 86.4(3) . . . . ?
C32 C33 C34 O12 -179.1(3) . . . . ?
C1 C33 C34 O12 3.6(4) . . . . ?
C32 C33 C34 C35 0.4(4) . . . . ?
C1 C33 C34 C35 -177.0(3) . . . . ?
C31 C30 C35 C34 -0.7(4) . . . . ?
C5 C30 C35 C34 177.8(3) . . . . ?
O12 C34 C35 C30 179.9(3) . . . . ?
C33 C34 C35 C30 0.5(4) . . . . ?
C8 C7 O1 C36 2.9(6) . . . . ?
C6 C7 O1 C36 -176.6(5) . . . . ?
C7 O1 C36 C37 176.0(6) . . . . ?
O1 C36 C37 C38 -179.4(6) . . . . ?
C36 C37 C38 C39 175.9(6) . . . . ?
C37 C38 C39 F1 -55.0(6) . . . . ?
C37 C38 C39 F2 62.9(6) . . . . ?
C37 C38 C39 C40 -175.9(5) . . . . ?
F1 C39 C40 F5 -62.4(6) . . . . ?
F2 C39 C40 F5 -174.7(5) . . . . ?
C38 C39 C40 F5 61.4(6) . . . . ?
F1 C39 C40 F4 178.3(4) . . . . ?
F2 C39 C40 F4 66.1(6) . . . . ?
C38 C39 C40 F4 -57.9(6) . . . . ?
F1 C39 C40 F3 58.8(6) . . . . ?
F2 C39 C40 F3 -53.5(5) . . . . ?
C38 C39 C40 F3 -177.4(4) . . . . ?
C8 C7 O2 C41 15(8) . . . . ?
C6 C7 O2 C41 -174(6) . . . . ?
C7 O2 C41 C42 151(6) . . . . ?
O2 C41 C42 C43 163(6) . . . . ?
C41 C42 C43 C44 80(7) . . . . ?
C42 C43 C44 F7 54(3) . . . . ?
C42 C43 C44 F6 -63(3) . . . . ?
C42 C43 C44 C45 176(3) . . . . ?
F7 C44 C45 F9 -56(2) . . . . ?
F6 C44 C45 F9 56(2) . . . . ?
C43 C44 C45 F9 179(3) . . . . ?
F7 C44 C45 F8 -177(2) . . . . ?
F6 C44 C45 F8 -64(2) . . . . ?
C43 C44 C45 F8 58(3) . . . . ?
F7 C44 C45 F10 61(3) . . . . ?
F6 C44 C45 F10 173(2) . . . . ?
C43 C44 C45 F10 -64(3) . . . . ?
C11 C10 O3 C46 -2.0(5) . . . . ?
C9 C10 O3 C46 177.8(3) . . . . ?
C10 O3 C46 C47 177.4(3) . . . . ?
O3 C46 C47 C48 58.2(4) . . . . ?
C46 C47 C48 C49 -172.4(3) . . . . ?
C47 C48 C49 F11 -59.4(5) . . . . ?
C47 C48 C49 F12 60.0(5) . . . . ?
C47 C48 C49 C50 179.8(4) . . . . ?
F11 C49 C50 F15 -64.6(5) . . . . ?
F12 C49 C50 F15 -178.8(4) . . . . ?
C48 C49 C50 F15 58.6(6) . . . . ?
F11 C49 C50 F14 176.1(4) . . . . ?
F12 C49 C50 F14 62.0(5) . . . . ?
C48 C49 C50 F14 -60.6(5) . . . . ?
F11 C49 C50 F13 56.0(5) . . . . ?
F12 C49 C50 F13 -58.1(5) . . . . ?
C48 C49 C50 F13 179.3(4) . . . . ?
C14 C13 O4 C51 -32.4(4) . . . . ?
C12 C13 O4 C51 149.6(3) . . . . ?
C13 O4 C51 C52 -178.8(3) . . . . ?
O4 C51 C52 C53 178.0(3) . . . . ?
C51 C52 C53 C54 -179.5(3) . . . . ?
C52 C53 C54 F17 60.6(4) . . . . ?
C52 C53 C54 F16 -56.4(4) . . . . ?
C52 C53 C54 C55 -177.5(3) . . . . ?
F17 C54 C55 F20 -171.7(3) . . . . ?
F16 C54 C55 F20 -59.8(4) . . . . ?
C53 C54 C55 F20 63.9(4) . . . . ?
F17 C54 C55 F18 -50.7(4) . . . . ?
F16 C54 C55 F18 61.3(4) . . . . ?
C53 C54 C55 F18 -175.1(3) . . . . ?
F17 C54 C55 F19 67.7(4) . . . . ?
F16 C54 C55 F19 179.7(3) . . . . ?
C53 C54 C55 F19 -56.7(4) . . . . ?
C17 C16 O5 C56 -70.6(4) . . . . ?
C15 C16 O5 C56 111.8(3) . . . . ?
C16 O5 C56 C57 176.4(3) . . . . ?
O5 C56 C57 C58 -66.0(4) . . . . ?
C56 C57 C58 C59 166.6(3) . . . . ?
C57 C58 C59 F22 54.5(5) . . . . ?
C57 C58 C59 F21 -61.1(5) . . . . ?
C57 C58 C59 C60 177.9(4) . . . . ?
F22 C59 C60 F25 -174.4(4) . . . . ?
F21 C59 C60 F25 -63.5(6) . . . . ?
C58 C59 C60 F25 59.8(6) . . . . ?
F22 C59 C60 F23 -55.4(6) . . . . ?
F21 C59 C60 F23 55.5(6) . . . . ?
C58 C59 C60 F23 178.7(4) . . . . ?
F22 C59 C60 F24 65.0(6) . . . . ?
F21 C59 C60 F24 175.8(5) . . . . ?
C58 C59 C60 F24 -60.9(7) . . . . ?
C18 C19 O6 C61 -171.8(3) . . . . ?
C20 C19 O6 C61 8.0(4) . . . . ?
C19 O6 C61 C62 160.1(3) . . . . ?
O6 C61 C62 C63 177.5(3) . . . . ?
C61 C62 C63 C64 173.9(3) . . . . ?
C62 C63 C64 F26 -60.4(4) . . . . ?
C62 C63 C64 F27 57.7(5) . . . . ?
C62 C63 C64 C65 179.1(4) . . . . ?
F26 C64 C65 F28 58.6(6) . . . . ?
F27 C64 C65 F28 -55.3(6) . . . . ?
C63 C64 C65 F28 -178.5(5) . . . . ?
F26 C64 C65 F30 -63.1(5) . . . . ?
F27 C64 C65 F30 -176.9(4) . . . . ?
C63 C64 C65 F30 59.9(6) . . . . ?
F26 C64 C65 F29 178.9(4) . . . . ?
F27 C64 C65 F29 65.0(5) . . . . ?
C63 C64 C65 F29 -58.2(6) . . . . ?
C21 C22 O7 C66 -178.9(3) . . . . ?
C23 C22 O7 C66 1.4(4) . . . . ?
C22 O7 C66 C67 176.6(3) . . . . ?
O7 C66 C67 C68 177.0(3) . . . . ?
C66 C67 C68 C69 -172.2(3) . . . . ?
C67 C68 C69 F31 -59.2(4) . . . . ?
C67 C68 C69 F32 57.6(4) . . . . ?
C67 C68 C69 C70 178.4(3) . . . . ?
F31 C69 C70 F34 178.4(3) . . . . ?
F32 C69 C70 F34 66.0(4) . . . . ?
C68 C69 C70 F34 -57.2(5) . . . . ?
F31 C69 C70 F33 57.1(4) . . . . ?
F32 C69 C70 F33 -55.2(4) . . . . ?
C68 C69 C70 F33 -178.5(3) . . . . ?
F31 C69 C70 F35 -62.6(4) . . . . ?
F32 C69 C70 F35 -174.9(3) . . . . ?
C68 C69 C70 F35 61.8(5) . . . . ?
C26 C25 O8 C71 9.2(12) . . . . ?
C24 C25 O8 C71 -171.5(8) . . . . ?
C25 O8 C71 C72 174.0(10) . . . . ?
O8 C71 C72 C73 175.3(9) . . . . ?
C71 C72 C73 C74 179.6(9) . . . . ?
C72 C73 C74 F37 56.4(8) . . . . ?
C72 C73 C74 F36 -61.9(8) . . . . ?
C72 C73 C74 C75 177.2(7) . . . . ?
F37 C74 C75 F38 -58.2(7) . . . . ?
F36 C74 C75 F38 55.2(7) . . . . ?
C73 C74 C75 F38 177.9(6) . . . . ?
F37 C74 C75 F39 66.7(7) . . . . ?
F36 C74 C75 F39 -179.9(6) . . . . ?
C73 C74 C75 F39 -57.2(8) . . . . ?
F37 C74 C75 F40 -176.8(5) . . . . ?
F36 C74 C75 F40 -63.4(7) . . . . ?
C73 C74 C75 F40 59.3(8) . . . . ?
C26 C25 O9 C76 8(9) . . . . ?
C24 C25 O9 C76 -173(7) . . . . ?
C25 O9 C76 C77 173(8) . . . . ?
O9 C76 C77 C78 179(7) . . . . ?
C76 C77 C78 C79 179(7) . . . . ?
C77 C78 C79 F42 -168(5) . . . . ?
C77 C78 C79 F41 -47(6) . . . . ?
C77 C78 C79 C80 69(5) . . . . ?
F42 C79 C80 F43 -73(3) . . . . ?
F41 C79 C80 F43 176(3) . . . . ?
C78 C79 C80 F43 55(3) . . . . ?
F42 C79 C80 F44 47(3) . . . . ?
F41 C79 C80 F44 -63(3) . . . . ?
C78 C79 C80 F44 175(3) . . . . ?
F42 C79 C80 F45 165(2) . . . . ?
F41 C79 C80 F45 54(3) . . . . ?
C78 C79 C80 F45 -67(3) . . . . ?
C29 C28 O10 C81 5.0(4) . . . . ?
C27 C28 O10 C81 -174.7(2) . . . . ?
C28 O10 C81 C82 176.0(2) . . . . ?
O10 C81 C82 C83 180.0(3) . . . . ?
C81 C82 C83 C84 175.9(3) . . . . ?
C82 C83 C84 F47 57.2(4) . . . . ?
C82 C83 C84 F46 -60.5(5) . . . . ?
C82 C83 C84 C85 178.8(4) . . . . ?
F47 C84 C85 F50 -178.5(3) . . . . ?
F46 C84 C85 F50 -65.2(4) . . . . ?
C83 C84 C85 F50 57.8(5) . . . . ?
F47 C84 C85 F48 -56.7(5) . . . . ?
F46 C84 C85 F48 56.7(5) . . . . ?
C83 C84 C85 F48 179.7(4) . . . . ?
F47 C84 C85 F49 62.4(5) . . . . ?
F46 C84 C85 F49 175.8(4) . . . . ?
C83 C84 C85 F49 -61.2(5) . . . . ?
C32 C31 O11 C86 -6.4(4) . . . . ?
C30 C31 O11 C86 174.2(3) . . . . ?
C31 O11 C86 C87 -177.0(3) . . . . ?
O11 C86 C87 C88 -177.9(3) . . . . ?
C86 C87 C88 C89 -178.9(4) . . . . ?
C87 C88 C89 F51 -51.8(6) . . . . ?
C87 C88 C89 F52 64.5(5) . . . . ?
C87 C88 C89 C90 -175.7(4) . . . . ?
F51 C89 C90 F54 -177.7(5) . . . . ?
F52 C89 C90 F54 70.3(6) . . . . ?
C88 C89 C90 F54 -51.0(7) . . . . ?
F51 C89 C90 F53 58.1(6) . . . . ?
F52 C89 C90 F53 -54.0(6) . . . . ?
C88 C89 C90 F53 -175.3(5) . . . . ?
F51 C89 C90 F55 -60.4(6) . . . . ?
F52 C89 C90 F55 -172.5(4) . . . . ?
C88 C89 C90 F55 66.2(6) . . . . ?
C35 C34 O12 C91 4.3(4) . . . . ?
C33 C34 O12 C91 -176.3(3) . . . . ?
C34 O12 C91 C92 179.3(3) . . . . ?
O12 C91 C92 C93 62.4(3) . . . . ?
C91 C92 C93 C94 164.0(3) . . . . ?
C92 C93 C94 F57 -50.3(5) . . . . ?
C92 C93 C94 F56 -166.9(3) . . . . ?
C92 C93 C94 C95 73.1(5) . . . . ?
F57 C94 C95 F59 63.9(5) . . . . ?
F56 C94 C95 F59 175.7(3) . . . . ?
C93 C94 C95 F59 -61.8(5) . . . . ?
F57 C94 C95 F60 -174.6(4) . . . . ?
F56 C94 C95 F60 -62.8(5) . . . . ?
C93 C94 C95 F60 59.7(6) . . . . ?
F57 C94 C95 F58 -56.3(5) . . . . ?
F56 C94 C95 F58 55.5(5) . . . . ?
C93 C94 C95 F58 178.0(4) . . . . ?
C128 C96 C101 C106 -85.6(4) . . . . ?
C128 C96 C101 C102 93.3(3) . . . . ?
C106 C101 C102 O14 -175.1(17) . . . . ?
C96 C101 C102 O14 6.0(17) . . . . ?
C106 C101 C102 O13 175.7(7) . . . . ?
C96 C101 C102 O13 -3.2(8) . . . . ?
C106 C101 C102 C103 -2.0(4) . . . . ?
C96 C101 C102 C103 179.1(3) . . . . ?
O14 C102 C103 C104 174(2) . . . . ?
O13 C102 C103 C104 -175.0(8) . . . . ?
C101 C102 C103 C104 2.6(5) . . . . ?
C102 C103 C104 C105 -0.8(5) . . . . ?
C102 C103 C104 C97 176.7(3) . . . . ?
C107 C97 C104 C103 -87.7(4) . . . . ?
C107 C97 C104 C105 89.7(4) . . . . ?
C103 C104 C105 O15 177.8(3) . . . . ?
C97 C104 C105 O15 0.4(4) . . . . ?
C103 C104 C105 C106 -1.6(5) . . . . ?
C97 C104 C105 C106 -179.1(3) . . . . ?
C102 C101 C106 C105 -0.4(4) . . . . ?
C96 C101 C106 C105 178.5(3) . . . . ?
O15 C105 C106 C101 -177.1(3) . . . . ?
C104 C105 C106 C101 2.2(5) . . . . ?
C104 C97 C107 C112 -88.5(4) . . . . ?
C104 C97 C107 C108 88.8(4) . . . . ?
C112 C107 C108 O17 177.3(13) . . . . ?
C97 C107 C108 O17 -0.2(13) . . . . ?
C112 C107 C108 C109 2.0(5) . . . . ?
C97 C107 C108 C109 -175.5(3) . . . . ?
C112 C107 C108 O16 -176.5(7) . . . . ?
C97 C107 C108 O16 6.0(8) . . . . ?
O17 C108 C109 C110 -174.6(17) . . . . ?
C107 C108 C109 C110 -0.9(5) . . . . ?
O16 C108 C109 C110 177.6(7) . . . . ?
C108 C109 C110 C111 -1.2(5) . . . . ?
C108 C109 C110 C98 177.6(3) . . . . ?
C113 C98 C110 C109 -91.4(5) . . . . ?
C113 C98 C110 C111 87.3(6) . . . . ?
C109 C110 C111 O19 172(2) . . . . ?
C98 C110 C111 O19 -7(2) . . . . ?
C109 C110 C111 C112 2.2(5) . . . . ?
C98 C110 C111 C112 -176.6(3) . . . . ?
C109 C110 C111 O18 -179.0(4) . . . . ?
C98 C110 C111 O18 2.2(6) . . . . ?
C108 C107 C112 C111 -1.0(5) . . . . ?
C97 C107 C112 C111 176.5(3) . . . . ?
O19 C111 C112 C107 -167(3) . . . . ?
C110 C111 C112 C107 -1.1(5) . . . . ?
O18 C111 C112 C107 -180.0(4) . . . . ?
C110 C98 C113 C118 -92.9(5) . . . . ?
C110 C98 C113 C114 87.0(6) . . . . ?
C118 C113 C114 O20 178.8(3) . . . . ?
C98 C113 C114 O20 -1.0(6) . . . . ?
C118 C113 C114 C115 -1.3(6) . . . . ?
C98 C113 C114 C115 178.8(3) . . . . ?
O20 C114 C115 C116 -178.4(3) . . . . ?
C113 C114 C115 C116 1.8(6) . . . . ?
C114 C115 C116 C117 -0.3(6) . . . . ?
C114 C115 C116 C99 177.2(3) . . . . ?
C119 C99 C116 C115 -88.7(5) . . . . ?
C119 C99 C116 C117 88.8(5) . . . . ?
C115 C116 C117 O21 179.4(3) . . . . ?
C99 C116 C117 O21 1.9(5) . . . . ?
C115 C116 C117 C118 -1.7(6) . . . . ?
C99 C116 C117 C118 -179.2(3) . . . . ?
C114 C113 C118 C117 -0.6(6) . . . . ?
C98 C113 C118 C117 179.3(3) . . . . ?
O21 C117 C118 C113 -179.0(3) . . . . ?
C116 C117 C118 C113 2.2(6) . . . . ?
C116 C99 C119 C124 -83.2(5) . . . . ?
C116 C99 C119 C120 94.8(5) . . . . ?
C124 C119 C120 O22 177.6(4) . . . . ?
C99 C119 C120 O22 -0.3(5) . . . . ?
C124 C119 C120 C121 -1.2(5) . . . . ?
C99 C119 C120 C121 -179.2(3) . . . . ?
C124 C119 C120 O23 -178.2(7) . . . . ?
C99 C119 C120 O23 3.8(8) . . . . ?
O22 C120 C121 C122 -176.1(5) . . . . ?
C119 C120 C121 C122 2.4(5) . . . . ?
O23 C120 C121 C122 -179.9(5) . . . . ?
C120 C121 C122 C123 -1.3(5) . . . . ?
C120 C121 C122 C100 176.3(3) . . . . ?
C125 C100 C122 C123 88.4(3) . . . . ?
C125 C100 C122 C121 -89.1(4) . . . . ?
C121 C122 C123 O24 178.6(3) . . . . ?
C100 C122 C123 O24 1.1(4) . . . . ?
C121 C122 C123 C124 -1.0(4) . . . . ?
C100 C122 C123 C124 -178.5(3) . . . . ?
C120 C119 C124 C123 -1.0(5) . . . . ?
C99 C119 C124 C123 176.9(3) . . . . ?
O24 C123 C124 C119 -177.4(3) . . . . ?
C122 C123 C124 C119 2.2(5) . . . . ?
C122 C100 C125 C130 -91.7(4) . . . . ?
C122 C100 C125 C126 87.0(4) . . . . ?
C130 C125 C126 O25 173.3(7) . . . . ?
C100 C125 C126 O25 -5.5(8) . . . . ?
C130 C125 C126 C127 1.7(5) . . . . ?
C100 C125 C126 C127 -177.1(3) . . . . ?
C130 C125 C126 O26 -169.4(9) . . . . ?
C100 C125 C126 O26 11.8(10) . . . . ?
O25 C126 C127 C128 -171.6(8) . . . . ?
C125 C126 C127 C128 -0.5(5) . . . . ?
O26 C126 C127 C128 169.8(9) . . . . ?
C126 C127 C128 C129 -1.0(5) . . . . ?
C126 C127 C128 C96 177.7(3) . . . . ?
C101 C96 C128 C129 85.0(4) . . . . ?
C101 C96 C128 C127 -93.7(3) . . . . ?
C127 C128 C129 O27 -178.2(3) . . . . ?
C96 C128 C129 O27 3.0(4) . . . . ?
C127 C128 C129 C130 1.2(4) . . . . ?
C96 C128 C129 C130 -177.5(3) . . . . ?
O27 C129 C130 C125 179.5(3) . . . . ?
C128 C129 C130 C125 0.0(5) . . . . ?
C126 C125 C130 C129 -1.5(5) . . . . ?
C100 C125 C130 C129 177.3(3) . . . . ?
C103 C102 O13 C131 -1.5(14) . . . . ?
C101 C102 O13 C131 -179.1(9) . . . . ?
C102 O13 C131 C132 -179.3(13) . . . . ?
O13 C131 C132 C133 165.0(12) . . . . ?
C131 C132 C133 C134 67.3(14) . . . . ?
C132 C133 C134 F62 54.6(8) . . . . ?
C132 C133 C134 F61 -64.4(8) . . . . ?
C132 C133 C134 C135 175.3(7) . . . . ?
F62 C134 C135 F64 -56.2(6) . . . . ?
F61 C134 C135 F64 57.6(6) . . . . ?
C133 C134 C135 F64 -179.4(5) . . . . ?
F62 C134 C135 F65 64.2(6) . . . . ?
F61 C134 C135 F65 177.9(5) . . . . ?
C133 C134 C135 F65 -59.0(7) . . . . ?
F62 C134 C135 F63 -176.5(5) . . . . ?
F61 C134 C135 F63 -62.7(6) . . . . ?
C133 C134 C135 F63 60.3(7) . . . . ?
C103 C102 O14 C136 10(3) . . . . ?
C101 C102 O14 C136 -177.8(17) . . . . ?
C102 O14 C136 C137 167(3) . . . . ?
O14 C136 C137 C138 180(3) . . . . ?
C136 C137 C138 C139 179(3) . . . . ?
C137 C138 C139 F66 63(3) . . . . ?
C137 C138 C139 F67 -56(3) . . . . ?
C137 C138 C139 C140 -177(3) . . . . ?
F66 C139 C140 F69 -174.5(17) . . . . ?
F67 C139 C140 F69 -61(2) . . . . ?
C138 C139 C140 F69 61(2) . . . . ?
F66 C139 C140 F68 66.3(18) . . . . ?
F67 C139 C140 F68 179.3(16) . . . . ?
C138 C139 C140 F68 -57.9(19) . . . . ?
F66 C139 C140 F70 -55.3(17) . . . . ?
F67 C139 C140 F70 57.8(17) . . . . ?
C138 C139 C140 F70 -179.4(16) . . . . ?
C106 C105 O15 C141 3.7(5) . . . . ?
C104 C105 O15 C141 -175.6(3) . . . . ?
C105 O15 C141 C142 175.1(3) . . . . ?
O15 C141 C142 C143 61.8(4) . . . . ?
C141 C142 C143 C144 -168.7(4) . . . . ?
C142 C143 C144 F72 -53.4(5) . . . . ?
C142 C143 C144 F71 64.2(5) . . . . ?
C142 C143 C144 C145 -177.3(4) . . . . ?
F72 C144 C145 F75 -179.6(4) . . . . ?
F71 C144 C145 F75 67.4(5) . . . . ?
C143 C144 C145 F75 -54.1(6) . . . . ?
F72 C144 C145 F74 -59.8(6) . . . . ?
F71 C144 C145 F74 -172.8(5) . . . . ?
C143 C144 C145 F74 65.6(6) . . . . ?
F72 C144 C145 F73 57.1(6) . . . . ?
F71 C144 C145 F73 -55.9(6) . . . . ?
C143 C144 C145 F73 -177.5(4) . . . . ?
C109 C108 O16 C146 -5.9(15) . . . . ?
C107 C108 O16 C146 172.6(9) . . . . ?
C108 O16 C146 C147 -161.9(10) . . . . ?
O16 C146 C147 C148 -174.9(8) . . . . ?
C146 C147 C148 C149 -171.6(6) . . . . ?
C147 C148 C149 F76 -56.0(9) . . . . ?
C147 C148 C149 F77 61.7(9) . . . . ?
C147 C148 C149 C150 -179.0(6) . . . . ?
F76 C149 C150 F79 54.7(8) . . . . ?
F77 C149 C150 F79 -58.1(7) . . . . ?
C148 C149 C150 F79 179.7(6) . . . . ?
F76 C149 C150 F78 -67.9(7) . . . . ?
F77 C149 C150 F78 179.4(5) . . . . ?
C148 C149 C150 F78 57.1(8) . . . . ?
F76 C149 C150 F80 175.5(5) . . . . ?
F77 C149 C150 F80 62.7(6) . . . . ?
C148 C149 C150 F80 -59.6(8) . . . . ?
C109 C108 O17 C151 -34(3) . . . . ?
C107 C108 O17 C151 151.1(16) . . . . ?
C108 O17 C151 C152 170.1(17) . . . . ?
O17 C151 C152 C153 175.6(19) . . . . ?
C151 C152 C153 C154 -175.4(14) . . . . ?
C152 C153 C154 F81 63.2(19) . . . . ?
C152 C153 C154 F82 -56.2(19) . . . . ?
C152 C153 C154 C155 -176.7(14) . . . . ?
F81 C154 C155 F84 -52.7(16) . . . . ?
F82 C154 C155 F84 60.0(16) . . . . ?
C153 C154 C155 F84 -175.9(14) . . . . ?
F81 C154 C155 F83 -172.9(12) . . . . ?
F82 C154 C155 F83 -60.2(14) . . . . ?
C153 C154 C155 F83 63.9(15) . . . . ?
F81 C154 C155 F85 65.3(13) . . . . ?
F82 C154 C155 F85 178.0(11) . . . . ?
C153 C154 C155 F85 -57.8(15) . . . . ?
C112 C111 O18 C156 -70.3(7) . . . . ?
C110 C111 O18 C156 110.8(6) . . . . ?
C111 O18 C156 C157 169.6(5) . . . . ?
O18 C156 C157 C158 -66.7(7) . . . . ?
C156 C157 C158 C159 169.5(5) . . . . ?
C157 C158 C159 F87 57.4(7) . . . . ?
C157 C158 C159 F86 -59.2(7) . . . . ?
C157 C158 C159 C160 -179.6(6) . . . . ?
F87 C159 C160 F88 -54.2(8) . . . . ?
F86 C159 C160 F88 56.8(9) . . . . ?
C158 C159 C160 F88 -179.9(7) . . . . ?
F87 C159 C160 F90 -175.8(6) . . . . ?
F86 C159 C160 F90 -64.8(7) . . . . ?
C158 C159 C160 F90 58.5(8) . . . . ?
F87 C159 C160 F89 67.0(7) . . . . ?
F86 C159 C160 F89 178.0(6) . . . . ?
C158 C159 C160 F89 -58.7(8) . . . . ?
C112 C111 O19 C161 -26(5) . . . . ?
C110 C111 O19 C161 167(3) . . . . ?
C111 O19 C161 C162 -164(2) . . . . ?
O19 C161 C162 C163 -165(3) . . . . ?
C161 C162 C163 C164 84(3) . . . . ?
C162 C163 C164 F92 40(3) . . . . ?
C162 C163 C164 F91 -72(3) . . . . ?
C162 C163 C164 C165 166(2) . . . . ?
F92 C164 C165 F94 74(2) . . . . ?
F91 C164 C165 F94 -180(2) . . . . ?
C163 C164 C165 F94 -54(3) . . . . ?
F92 C164 C165 F93 -50(3) . . . . ?
F91 C164 C165 F93 56(3) . . . . ?
C163 C164 C165 F93 -179(3) . . . . ?
F92 C164 C165 F95 -170(2) . . . . ?
F91 C164 C165 F95 -64(2) . . . . ?
C163 C164 C165 F95 61(3) . . . . ?
C113 C114 O20 C166 -170.8(4) . . . . ?
C115 C114 O20 C166 9.4(5) . . . . ?
C114 O20 C166 C167 164.9(3) . . . . ?
O20 C166 C167 C168 176.9(4) . . . . ?
C166 C167 C168 C169 170.5(4) . . . . ?
C167 C168 C169 F96 -64.3(6) . . . . ?
C167 C168 C169 F97 49.9(7) . . . . ?
C167 C168 C169 C170 173.5(5) . . . . ?
F96 C169 C170 F99 177.2(5) . . . . ?
F97 C169 C170 F99 65.2(6) . . . . ?
C168 C169 C170 F99 -59.7(7) . . . . ?
F96 C169 C170 F100 -60.9(6) . . . . ?
F97 C169 C170 F100 -172.9(5) . . . . ?
C168 C169 C170 F100 62.3(7) . . . . ?
F96 C169 C170 F98 56.9(7) . . . . ?
F97 C169 C170 F98 -55.0(7) . . . . ?
C168 C169 C170 F98 -179.9(5) . . . . ?
C116 C117 O21 C171 179.1(3) . . . . ?
C118 C117 O21 C171 0.2(5) . . . . ?
C117 O21 C171 C172 178.0(3) . . . . ?
O21 C171 C172 C173 179.6(3) . . . . ?
C171 C172 C173 C174 -176.0(3) . . . . ?
C172 C173 C174 F102 58.1(5) . . . . ?
C172 C173 C174 F101 -59.0(5) . . . . ?
C172 C173 C174 C175 178.9(4) . . . . ?
F102 C174 C175 F104 61.8(5) . . . . ?
F101 C174 C175 F104 173.8(4) . . . . ?
C173 C174 C175 F104 -61.5(5) . . . . ?
F102 C174 C175 F103 -59.6(5) . . . . ?
F101 C174 C175 F103 52.3(5) . . . . ?
C173 C174 C175 F103 177.1(4) . . . . ?
F102 C174 C175 F105 -178.3(4) . . . . ?
F101 C174 C175 F105 -66.4(5) . . . . ?
C173 C174 C175 F105 58.3(6) . . . . ?
C121 C120 O22 C176 5.1(8) . . . . ?
C119 C120 O22 C176 -173.5(4) . . . . ?
C120 O22 C176 C177 177.6(5) . . . . ?
O22 C176 C177 C178 176.2(6) . . . . ?
C176 C177 C178 C179 175.7(9) . . . . ?
C177 C178 C179 F106 -52(2) . . . . ?
C177 C178 C179 C180 70.8(19) . . . . ?
C177 C178 C179 F107 -171.8(9) . . . . ?
F106 C179 C180 F110 56.6(18) . . . . ?
C178 C179 C180 F110 -70(2) . . . . ?
F107 C179 C180 F110 169.0(13) . . . . ?
F106 C179 C180 F109 -164.5(17) . . . . ?
C178 C179 C180 F109 69(3) . . . . ?
F107 C179 C180 F109 -52(2) . . . . ?
F106 C179 C180 F108 -65(2) . . . . ?
C178 C179 C180 F108 168.7(14) . . . . ?
F107 C179 C180 F108 47.4(19) . . . . ?
C121 C120 O23 C181 21.1(12) . . . . ?
C119 C120 O23 C181 -161.6(8) . . . . ?
C120 O23 C181 C182 153.2(9) . . . . ?
O23 C181 C182 C183 68.7(12) . . . . ?
C181 C182 C183 C184 -171.8(9) . . . . ?
C182 C183 C184 F112 -51.2(14) . . . . ?
C182 C183 C184 F111 66.4(13) . . . . ?
C182 C183 C184 C185 -169.6(11) . . . . ?
F112 C184 C185 F113 64.7(16) . . . . ?
F111 C184 C185 F113 -49.1(17) . . . . ?
C183 C184 C185 F113 -172.2(12) . . . . ?
F112 C184 C185 F115 -171.5(13) . . . . ?
F111 C184 C185 F115 74.7(15) . . . . ?
C183 C184 C185 F115 -48.4(16) . . . . ?
F112 C184 C185 F114 -75.0(14) . . . . ?
F111 C184 C185 F114 171.2(12) . . . . ?
C183 C184 C185 F114 48.1(16) . . . . ?
C124 C123 O24 C186 5.7(4) . . . . ?
C122 C123 O24 C186 -173.8(3) . . . . ?
C123 O24 C186 C187 176.5(2) . . . . ?
O24 C186 C187 C188 178.5(2) . . . . ?
C186 C187 C188 C189 174.4(3) . . . . ?
C187 C188 C189 F117 57.3(4) . . . . ?
C187 C188 C189 F116 -60.6(4) . . . . ?
C187 C188 C189 C190 178.6(3) . . . . ?
F117 C189 C190 F118 -58.1(4) . . . . ?
F116 C189 C190 F118 55.1(4) . . . . ?
C188 C189 C190 F118 178.2(3) . . . . ?
F117 C189 C190 F120 -179.6(3) . . . . ?
F116 C189 C190 F120 -66.4(4) . . . . ?
C188 C189 C190 F120 56.7(4) . . . . ?
F117 C189 C190 F119 61.5(4) . . . . ?
F116 C189 C190 F119 174.7(3) . . . . ?
C188 C189 C190 F119 -62.2(4) . . . . ?
C125 C126 O25 C191 170.8(19) . . . . ?
C127 C126 O25 C191 -18(2) . . . . ?
C126 O25 C191 C192 -156.8(18) . . . . ?
O25 C191 C192 C193 -173(2) . . . . ?
C191 C192 C193 C194 90(2) . . . . ?
C192 C193 C194 F121 60.9(13) . . . . ?
C192 C193 C194 F122 -58.0(14) . . . . ?
C192 C193 C194 C195 -178.4(11) . . . . ?
F121 C194 C195 F124 -64.8(15) . . . . ?
F122 C194 C195 F124 48.2(15) . . . . ?
C193 C194 C195 F124 171.1(13) . . . . ?
F121 C194 C195 F123 175.0(13) . . . . ?
F122 C194 C195 F123 -72.0(15) . . . . ?
C193 C194 C195 F123 50.9(17) . . . . ?
F121 C194 C195 F125 54.4(13) . . . . ?
F122 C194 C195 F125 167.4(12) . . . . ?
C193 C194 C195 F125 -69.7(15) . . . . ?
C125 C126 O26 C196 180(2) . . . . ?
C127 C126 O26 C196 9(3) . . . . ?
C126 O26 C196 C197 168(2) . . . . ?
O26 C196 C197 C198 160(3) . . . . ?
C196 C197 C198 C199 65(3) . . . . ?
C197 C198 C199 F126 -63(2) . . . . ?
C197 C198 C199 F127 55(2) . . . . ?
C197 C198 C199 C200 175.8(17) . . . . ?
F126 C199 C200 F129 -177.8(15) . . . . ?
F127 C199 C200 F129 71.9(17) . . . . ?
C198 C199 C200 F129 -52(2) . . . . ?
F126 C199 C200 F128 -64.2(15) . . . . ?
F127 C199 C200 F128 -174.6(13) . . . . ?
C198 C199 C200 F128 61.9(19) . . . . ?
F126 C199 C200 F130 65.5(17) . . . . ?
F127 C199 C200 F130 -44.8(17) . . . . ?
C198 C199 C200 F130 -168.3(18) . . . . ?
C130 C129 O27 C201 9.2(4) . . . . ?
C128 C129 O27 C201 -171.3(3) . . . . ?
C129 O27 C201 C202 179.5(2) . . . . ?
O27 C201 C202 C203 62.8(3) . . . . ?
C201 C202 C203 C204 168.7(3) . . . . ?
C202 C203 C204 F131 -54.4(4) . . . . ?
C202 C203 C204 F132 -170.8(3) . . . . ?
C202 C203 C204 C205 68.7(4) . . . . ?
F131 C204 C205 F135 60.1(4) . . . . ?
F132 C204 C205 F135 173.0(3) . . . . ?
C203 C204 C205 F135 -65.1(5) . . . . ?
F131 C204 C205 F134 -179.0(3) . . . . ?
F132 C204 C205 F134 -66.2(4) . . . . ?
C203 C204 C205 F134 55.8(5) . . . . ?
F131 C204 C205 F133 -59.1(4) . . . . ?
F132 C204 C205 F133 53.7(4) . . . . ?
C203 C204 C205 F133 175.7(3) . . . . ?
C206 C207 C208 C209 177.1(5) . . . . ?
C207 C208 C209 C210 173.8(5) . . . . ?
C208 C209 C210 C211 179.9(4) . . . . ?
C212 C213 C214 C215 178.5(4) . . . . ?
C213 C214 C215 C216 174.3(5) . . . . ?
C214 C215 C216 C217 176.3(5) . . . . ?
