#------------------------------------------------------------------------------
#$Date: 2020-06-05 12:50:44 +0300 (Fri, 05 Jun 2020) $
#$Revision: 252705 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/63/7126347.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_7126347
loop_
_publ_author_name
'Takata, Hisatsugu'
'Ono, Kosuke'
'Iwasawa, Nobuharu'
_publ_section_title
;
 Controlled release of the guest molecule via borate formation of a
 fluorinated boronic ester cage.
;
_journal_issue                   42
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              5613
_journal_page_last               5616
_journal_paper_doi               10.1039/d0cc01441a
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C60 H54 B6 F6 O12, 4(C8 H10)'
_chemical_formula_sum            'C88 H94 B6 F6 O12'
_chemical_formula_weight         1514.42
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2020-01-27 deposited with the CCDC.	2020-04-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.4770(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.0660(7)
_cell_length_b                   19.9550(7)
_cell_length_c                   24.1330(8)
_cell_measurement_reflns_used    39870
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.424
_cell_measurement_theta_min      3.045
_cell_volume                     8251.6(5)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'PROCESS-AUTO (Rigaku, 1998)'
_computing_publication_material  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXS (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID IP area detector system'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0237
_diffrn_reflns_av_unetI/netI     0.0194
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            39870
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.424
_diffrn_reflns_theta_min         3.045
_diffrn_source                   'rotating anode X-ray tube'
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_T_max  0.9827
_exptl_absorpt_correction_T_min  0.9827
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'absorption was corrected by ABSCOR'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.219
_exptl_crystal_description       block
_exptl_crystal_F_000             3176
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         2.253
_refine_diff_density_min         -2.782
_refine_diff_density_rms         0.170
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.931
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         9398
_refine_ls_number_restraints     23
_refine_ls_restrained_S_all      1.930
_refine_ls_R_factor_all          0.1456
_refine_ls_R_factor_gt           0.1295
_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)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4076
_refine_ls_wR_factor_ref         0.4332
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7364
_reflns_number_total             9398
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc01441a2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7126347.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7126347
_shelx_shelxl_version_number     2016/6
_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   0.983
_shelx_estimated_absorpt_t_max   0.983
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
H36 H 0.590(3) -0.239(3) 0.345(3) 0.055(14) Uiso 1 1 d . . . . .
C1 C 0.2400(2) 0.10436(18) 0.02410(15) 0.0298(7) Uani 1 1 d . . . . .
H1 H 0.184341 0.104154 -0.001511 0.036 Uiso 1 1 calc R U . . .
C2 C 0.2959(2) 0.08786(18) -0.01099(15) 0.0309(8) Uani 1 1 d . . . . .
C3 C 0.3669(2) 0.12860(17) 0.02073(14) 0.0288(7) Uani 1 1 d . . . . .
C4 C 0.4439(2) 0.12061(17) 0.02176(14) 0.0294(7) Uani 1 1 d . . . . .
H4 H 0.458727 0.083587 0.002867 0.035 Uiso 1 1 calc R U . . .
C5 C 0.4982(2) 0.16776(17) 0.05086(14) 0.0278(7) Uani 1 1 d . . . . .
C6 C 0.5854(2) 0.16683(18) 0.06213(15) 0.0302(8) Uani 1 1 d . . . . .
H6 H 0.599241 0.169460 0.025202 0.036 Uiso 1 1 calc R U . . .
C10 C 0.6159(2) 0.22774(18) 0.10233(17) 0.0331(8) Uani 1 1 d . . . . .
H10 H 0.656217 0.252807 0.090317 0.040 Uiso 1 1 calc R U . . .
C11 C 0.5455(2) 0.27275(17) 0.09892(18) 0.0349(8) Uani 1 1 d . . . . .
C12 C 0.4770(2) 0.22430(16) 0.07727(14) 0.0274(7) Uani 1 1 d . . . . .
C13 C 0.4014(2) 0.23107(16) 0.07942(15) 0.0298(7) Uani 1 1 d . . . . .
H13 H 0.387028 0.267624 0.099101 0.036 Uiso 1 1 calc R U . . .
C14 C 0.3474(2) 0.18215(16) 0.05158(14) 0.0267(7) Uani 1 1 d . . . . .
C15 C 0.2640(2) 0.17375(17) 0.05282(15) 0.0287(7) Uani 1 1 d . . . . .
H15 H 0.228651 0.210494 0.031646 0.034 Uiso 1 1 calc R U . . .
C19 C 0.2600(2) 0.1163(2) -0.07343(16) 0.0392(9) Uani 1 1 d . . . . .
H19A H 0.213727 0.090060 -0.094415 0.059 Uiso 1 1 calc R U . . .
H19B H 0.245000 0.163158 -0.071149 0.059 Uiso 1 1 calc R U . . .
H19C H 0.298447 0.113657 -0.094274 0.059 Uiso 1 1 calc R U . . .
C20 C 0.3117(3) 0.01328(19) -0.01390(19) 0.0400(9) Uani 1 1 d . . . . .
H20A H 0.263003 -0.009769 -0.035066 0.060 Uiso 1 1 calc R U . . .
H20B H 0.350085 0.006377 -0.034313 0.060 Uiso 1 1 calc R U . . .
H20C H 0.332020 -0.004830 0.025799 0.060 Uiso 1 1 calc R U . . .
C21 C 0.5516(3) 0.3075(2) 0.1569(2) 0.0478(10) Uani 1 1 d . . . . .
H21A H 0.596751 0.337609 0.167814 0.072 Uiso 1 1 calc R U . . .
H21B H 0.503965 0.333429 0.152545 0.072 Uiso 1 1 calc R U . . .
H21C H 0.557824 0.273661 0.187520 0.072 Uiso 1 1 calc R U . . .
C22 C 0.5382(3) 0.3253(2) 0.0503(2) 0.0486(11) Uani 1 1 d . . . . .
H22A H 0.581621 0.357147 0.063137 0.073 Uiso 1 1 calc R U . . .
H22B H 0.539730 0.302659 0.014690 0.073 Uiso 1 1 calc R U . . .
H22C H 0.488681 0.349401 0.042452 0.073 Uiso 1 1 calc R U . . .
C23 C 0.67879(19) 0.08208(17) 0.20746(14) 0.0251(7) Uani 1 1 d . . . . .
C24 C 0.70197(18) 0.10625(16) 0.26476(14) 0.0235(7) Uani 1 1 d . . . . .
C25 C 0.72036(18) 0.06706(16) 0.31529(14) 0.0242(7) Uani 1 1 d . . . . .
C26 C 0.71553(19) -0.00212(17) 0.30507(14) 0.0247(7) Uani 1 1 d . . . . .
C27 C 0.69457(18) -0.03299(16) 0.24996(14) 0.0240(7) Uani 1 1 d . . . . .
C28 C 0.67673(19) 0.01225(17) 0.20313(14) 0.0249(7) Uani 1 1 d . . . . .
C34 C 0.66234(19) -0.21903(16) 0.25956(14) 0.0246(7) Uani 1 1 d . . . . .
H34 H 0.696677 -0.257571 0.278053 0.029 Uiso 1 1 calc R U . . .
C35 C 0.57958(19) -0.22820(15) 0.25946(14) 0.0231(6) Uani 1 1 d . . . . .
C36 C 0.5527(2) -0.22949(16) 0.30786(14) 0.0246(7) Uani 1 1 d . . . . .
C37 C 0.52786(19) -0.23101(15) 0.20279(14) 0.0229(6) Uani 1 1 d . . . . .
C38 C 0.57207(19) -0.23650(16) 0.15862(14) 0.0262(7) Uani 1 1 d . . . . .
C39 C 0.6541(2) -0.21075(16) 0.19369(14) 0.0249(7) Uani 1 1 d . . . . .
H39 H 0.696033 -0.235302 0.183204 0.030 Uiso 1 1 calc R U . . .
C41 C 0.5782(3) -0.31087(18) 0.14378(19) 0.0382(9) Uani 1 1 d . . . . .
H41A H 0.606533 -0.314877 0.115395 0.057 Uiso 1 1 calc R U . . .
H41B H 0.606219 -0.335437 0.179417 0.057 Uiso 1 1 calc R U . . .
H41C H 0.525680 -0.329666 0.127072 0.057 Uiso 1 1 calc R U . . .
C42 C 0.5346(2) -0.1968(2) 0.10201(16) 0.0388(9) Uani 1 1 d . . . . .
H42A H 0.565853 -0.202534 0.075736 0.058 Uiso 1 1 calc R U . . .
H42B H 0.481587 -0.213434 0.082884 0.058 Uiso 1 1 calc R U . . .
H42C H 0.532531 -0.149197 0.111334 0.058 Uiso 1 1 calc R U . . .
B8 B 0.6495(2) 0.13014(19) 0.15323(17) 0.0262(7) Uani 1 1 d . . . . .
B17 B 0.2640(2) 0.09872(19) 0.12257(17) 0.0264(8) Uani 1 1 d . . . . .
B32 B 0.6830(2) -0.11042(18) 0.24146(16) 0.0243(7) Uani 1 1 d . . . . .
O7 O 0.61905(15) 0.10791(12) 0.09693(10) 0.0303(6) Uani 1 1 d . . . . .
O9 O 0.64933(16) 0.19784(13) 0.15927(11) 0.0345(6) Uani 1 1 d . . . . .
O16 O 0.26433(15) 0.16631(12) 0.11250(10) 0.0293(6) Uani 1 1 d . . . . .
O18 O 0.25178(16) 0.06040(12) 0.07359(10) 0.0313(6) Uani 1 1 d . . . . .
O33 O 0.69280(14) -0.15489(12) 0.28646(10) 0.0260(5) Uani 1 1 d . . . . .
O40 O 0.65981(15) -0.13907(11) 0.18720(10) 0.0281(6) Uani 1 1 d . . . . .
F29 F 0.70573(14) 0.17264(10) 0.27229(9) 0.0368(6) Uani 1 1 d . . . . .
F30 F 0.73182(14) -0.04234(10) 0.35148(9) 0.0343(5) Uani 1 1 d . . . . .
F31 F 0.65500(14) -0.01342(10) 0.14925(9) 0.0352(5) Uani 1 1 d . . . . .
C1B C 0.500000 0.07419(19) 0.250000 0.0579(18) Uani 1 2 d DGS T P . .
C2B C 0.5092(3) 0.0122(2) 0.27768(16) 0.0370(17) Uani 0.5 1 d DG . P . .
C3B C 0.4951(4) -0.04629(19) 0.2447(3) 0.068(3) Uani 0.5 1 d G . P . .
C4B C 0.4718(4) -0.0429(2) 0.1841(3) 0.045(2) Uani 0.5 1 d G . P . .
C5B C 0.4626(4) 0.0191(3) 0.15643(14) 0.0705(19) Uiso 0.5 1 d G . P . .
C6B C 0.4767(3) 0.0776(2) 0.18936(2) 0.0435(19) Uani 0.5 1 d G . P . .
C7B1 C 0.5142(6) 0.1429(3) 0.2785(4) 0.056(2) Uiso 0.5 1 d D . P . .
C7B2 C 0.5349(8) 0.0051(7) 0.34379(19) 0.0705(19) Uiso 0.5 1 d D . P . .
C1C C 0.7405(4) 0.2287(2) -0.0256(2) 0.0511(6) Uiso 0.5 1 d DG U P . .
C2C C 0.7665(4) 0.2359(2) 0.0348(2) 0.0511(6) Uiso 0.5 1 d DG U P A .
C3C C 0.7708(4) 0.2992(3) 0.05963(18) 0.0511(6) Uiso 0.5 1 d G U P A .
C4C C 0.7490(4) 0.3553(2) 0.0240(3) 0.0511(6) Uiso 0.5 1 d G U P A .
C5C C 0.7229(4) 0.3481(2) -0.0364(3) 0.0511(6) Uiso 0.5 1 d G U P A .
C6C C 0.7187(4) 0.2848(3) -0.06117(18) 0.0511(6) Uiso 0.5 1 d G U P A .
C7C1 C 0.7335(11) 0.1598(5) -0.0537(9) 0.0511(6) Uiso 0.25 1 d D U P A 1
C7C2 C 0.7924(11) 0.1758(6) 0.0750(7) 0.0511(6) Uiso 0.25 1 d D U P A 2
C1D C 0.5578(3) 0.4773(3) -0.0670(2) 0.0511(6) Uiso 0.5 1 d G U P . .
C2D C 0.5890(3) 0.4829(4) -0.0066(2) 0.0511(6) Uiso 0.5 1 d G U P B .
C3D C 0.5404(3) 0.4965(4) 0.02662(17) 0.0511(6) Uiso 0.5 1 d DG U P . .
C4D C 0.4607(3) 0.5046(4) -0.0005(2) 0.0511(6) Uiso 0.5 1 d DG U P B .
C5D C 0.4295(3) 0.4991(4) -0.0609(2) 0.0511(6) Uiso 0.5 1 d G U P . .
C6D C 0.4781(4) 0.4854(4) -0.09413(17) 0.0511(6) Uiso 0.5 1 d G U P B .
C7D1 C 0.5751(11) 0.5036(10) 0.0925(2) 0.0511(6) Uiso 0.25 1 d D U P B 1
C7D2 C 0.4098(10) 0.5243(9) 0.0364(8) 0.0511(6) Uiso 0.25 1 d D U P B 2
C1E C 0.5860(3) 0.4284(2) 0.2768(3) 0.0511(6) Uiso 0.5 1 d G U P . .
C2E C 0.6603(3) 0.4541(3) 0.3035(3) 0.0511(6) Uiso 0.5 1 d G U P . .
C3E C 0.6719(3) 0.5230(3) 0.3081(3) 0.0511(6) Uiso 0.5 1 d G U P . .
C4E C 0.6091(3) 0.5663(2) 0.2859(3) 0.0511(6) Uiso 0.5 1 d G U P C .
C5E C 0.5348(3) 0.5406(3) 0.2592(3) 0.0511(6) Uiso 0.5 1 d DG U P . .
C6E C 0.5232(2) 0.4717(3) 0.2546(3) 0.0511(6) Uiso 0.5 1 d DG U P C .
C7E1 C 0.4679(7) 0.5897(8) 0.2358(8) 0.0511(6) Uiso 0.25 1 d D U P C 1
C7E2 C 0.4397(5) 0.4481(10) 0.2269(8) 0.0511(6) Uiso 0.25 1 d D U P C 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O18 C1 C2 112.0(3) . . ?
O18 C1 C15 103.1(3) . . ?
C2 C1 C15 107.3(3) . . ?
O18 C1 H1 111.4 . . ?
C2 C1 H1 111.4 . . ?
C15 C1 H1 111.4 . . ?
C3 C2 C20 114.2(3) . . ?
C3 C2 C1 101.8(3) . . ?
C20 C2 C1 113.5(3) . . ?
C3 C2 C19 108.9(3) . . ?
C20 C2 C19 109.9(3) . . ?
C1 C2 C19 108.1(3) . . ?
C4 C3 C14 119.5(3) . . ?
C4 C3 C2 129.2(3) . . ?
C14 C3 C2 111.3(3) . . ?
C5 C4 C3 118.4(3) . . ?
C5 C4 H4 120.8 . . ?
C3 C4 H4 120.8 . . ?
C4 C5 C12 121.7(3) . . ?
C4 C5 C6 128.0(3) . . ?
C12 C5 C6 110.2(3) . . ?
O7 C6 C5 109.4(3) . . ?
O7 C6 C10 105.8(3) . . ?
C5 C6 C10 104.3(3) . . ?
O7 C6 H6 112.3 . . ?
C5 C6 H6 112.3 . . ?
C10 C6 H6 112.3 . . ?
O9 C10 C11 112.5(3) . . ?
O9 C10 C6 103.4(3) . . ?
C11 C10 C6 107.6(3) . . ?
O9 C10 H10 111.0 . . ?
C11 C10 H10 111.0 . . ?
C6 C10 H10 111.0 . . ?
C12 C11 C21 114.4(3) . . ?
C12 C11 C10 102.4(3) . . ?
C21 C11 C10 113.4(4) . . ?
C12 C11 C22 107.8(3) . . ?
C21 C11 C22 110.4(3) . . ?
C10 C11 C22 107.9(3) . . ?
C13 C12 C5 120.4(3) . . ?
C13 C12 C11 128.7(3) . . ?
C5 C12 C11 110.8(3) . . ?
C12 C13 C14 117.3(3) . . ?
C12 C13 H13 121.3 . . ?
C14 C13 H13 121.3 . . ?
C13 C14 C3 122.2(3) . . ?
C13 C14 C15 127.7(3) . . ?
C3 C14 C15 109.9(3) . . ?
O16 C15 C14 109.8(3) . . ?
O16 C15 C1 105.5(3) . . ?
C14 C15 C1 103.2(3) . . ?
O16 C15 H15 112.6 . . ?
C14 C15 H15 112.6 . . ?
C1 C15 H15 112.6 . . ?
C2 C19 H19A 109.5 . . ?
C2 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C2 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C2 C20 H20A 109.5 . . ?
C2 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C2 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C11 C21 H21A 109.5 . . ?
C11 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C11 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C11 C22 H22A 109.5 . . ?
C11 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C11 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C28 C23 C24 114.3(3) . . ?
C28 C23 B8 123.5(3) . . ?
C24 C23 B8 121.9(3) . . ?
F29 C24 C25 116.6(3) . . ?
F29 C24 C23 117.6(3) . . ?
C25 C24 C23 125.7(3) . . ?
C24 C25 C26 114.4(3) . . ?
C24 C25 B17 122.0(3) . 2_655 ?
C26 C25 B17 123.2(3) . 2_655 ?
F30 C26 C25 117.4(3) . . ?
F30 C26 C27 116.9(3) . . ?
C25 C26 C27 125.6(3) . . ?
C28 C27 C26 113.9(3) . . ?
C28 C27 B32 122.9(3) . . ?
C26 C27 B32 122.8(3) . . ?
F31 C28 C23 116.6(3) . . ?
F31 C28 C27 117.4(3) . . ?
C23 C28 C27 126.0(3) . . ?
O33 C34 C35 109.9(2) . . ?
O33 C34 C39 105.1(2) . . ?
C35 C34 C39 103.7(3) . . ?
O33 C34 H34 112.5 . . ?
C35 C34 H34 112.5 . . ?
C39 C34 H34 112.5 . . ?
C37 C35 C36 121.1(3) . . ?
C37 C35 C34 111.3(3) . . ?
C36 C35 C34 127.5(3) . . ?
C37 C36 C35 117.7(3) 2_655 . ?
C37 C36 H36 123(3) 2_655 . ?
C35 C36 H36 118(3) . . ?
C35 C37 C36 121.1(3) . 2_655 ?
C35 C37 C38 110.6(3) . . ?
C36 C37 C38 128.3(3) 2_655 . ?
C37 C38 C42 113.8(3) . . ?
C37 C38 C41 108.9(3) . . ?
C42 C38 C41 109.5(3) . . ?
C37 C38 C39 102.6(3) . . ?
C42 C38 C39 113.0(3) . . ?
C41 C38 C39 108.8(3) . . ?
O40 C39 C38 111.1(3) . . ?
O40 C39 C34 103.2(2) . . ?
C38 C39 C34 106.8(2) . . ?
O40 C39 H39 111.8 . . ?
C38 C39 H39 111.8 . . ?
C34 C39 H39 111.8 . . ?
C38 C41 H41A 109.5 . . ?
C38 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C38 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C38 C42 H42A 109.5 . . ?
C38 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C38 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
O9 B8 O7 114.5(3) . . ?
O9 B8 C23 121.9(3) . . ?
O7 B8 C23 123.5(3) . . ?
O18 B17 O16 113.9(3) . . ?
O18 B17 C25 122.2(3) . 2_655 ?
O16 B17 C25 123.8(3) . 2_655 ?
O40 B32 O33 114.3(3) . . ?
O40 B32 C27 121.8(3) . . ?
O33 B32 C27 123.9(3) . . ?
B8 O7 C6 105.8(3) . . ?
B8 O9 C10 108.9(3) . . ?
B17 O16 C15 106.2(3) . . ?
B17 O18 C1 108.5(3) . . ?
B32 O33 C34 106.2(3) . . ?
B32 O40 C39 108.7(3) . . ?
C2B C1B C2B 54.4(3) 2_655 . ?
C2B C1B C6B 65.7(3) 2_655 . ?
C2B C1B C6B 120.0 . . ?
C2B C1B C6B 120.0(3) 2_655 2_655 ?
C2B C1B C6B 65.7 . 2_655 ?
C6B C1B C6B 174.4 . 2_655 ?
C2B C1B C7B1 127.4(4) 2_655 2_655 ?
C2B C1B C7B1 176.3(4) . 2_655 ?
C6B C1B C7B1 61.8(4) . 2_655 ?
C6B C1B C7B1 112.6(4) 2_655 2_655 ?
C2B C1B C7B1 176.3(4) 2_655 . ?
C2B C1B C7B1 127.4(4) . . ?
C6B C1B C7B1 112.6(4) . . ?
C6B C1B C7B1 61.8(4) 2_655 . ?
C7B1 C1B C7B1 51.0(8) 2_655 . ?
C2B C2B C3B 66.1(6) 2_655 2_655 ?
C2B C2B C1B 62.8 2_655 . ?
C3B C2B C1B 128.8(6) 2_655 . ?
C2B C2B C3B 57.3 2_655 . ?
C3B C2B C3B 10.1(6) 2_655 . ?
C1B C2B C3B 120.0 . . ?
C2B C2B C4B 128.2(4) 2_655 2_655 ?
C3B C2B C4B 62.15(15) 2_655 2_655 ?
C1B C2B C4B 167.9(5) . 2_655 ?
C3B C2B C4B 71.4(4) . 2_655 ?
C2B C2B C6B 119.9 2_655 2_655 ?
C3B C2B C6B 172.3(7) 2_655 2_655 ?
C1B C2B C6B 57.2 . 2_655 ?
C3B C2B C6B 177.2 . 2_655 ?
C4B C2B C6B 111.4(4) 2_655 2_655 ?
C2B C2B C5B 173.2(5) 2_655 2_655 ?
C3B C2B C5B 118.8(6) 2_655 2_655 ?
C1B C2B C5B 111.9 . 2_655 ?
C3B C2B C5B 128.0 . 2_655 ?
C4B C2B C5B 56.7(5) 2_655 2_655 ?
C6B C2B C5B 54.8 2_655 2_655 ?
C2B C2B C7B2 174.1(7) 2_655 . ?
C3B C2B C7B2 108.4(7) 2_655 . ?
C1B C2B C7B2 122.5(6) . . ?
C3B C2B C7B2 117.5(6) . . ?
C4B C2B C7B2 46.3(6) 2_655 . ?
C6B C2B C7B2 65.3(6) 2_655 . ?
C5B C2B C7B2 10.7(6) 2_655 . ?
C3B C3B C2B 110.1(8) 2_655 2_655 ?
C3B C3B C4B 156(3) 2_655 . ?
C2B C3B C4B 63.4(3) 2_655 . ?
C3B C3B C2B 59.8(7) 2_655 . ?
C2B C3B C2B 56.7(3) 2_655 . ?
C4B C3B C2B 120.0 . . ?
C3B C3B C4B 20(2) 2_655 2_655 ?
C2B C3B C4B 111.1(3) 2_655 2_655 ?
C4B C3B C4B 173.6(4) . 2_655 ?
C2B C3B C4B 54.8 . 2_655 ?
C7B2 C4B C3B 126.5(4) 2_655 . ?
C7B2 C4B C5B 7.1(5) 2_655 . ?
C3B C4B C5B 120.0 . . ?
C7B2 C4B C2B 72.1(4) 2_655 2_655 ?
C3B C4B C2B 54.5(2) . 2_655 ?
C5B C4B C2B 65.6(2) . 2_655 ?
C7B2 C4B C3B 125.8(4) 2_655 2_655 ?
C3B C4B C3B 3.7(5) . 2_655 ?
C5B C4B C3B 119.4 . 2_655 ?
C2B C4B C3B 53.9(3) 2_655 2_655 ?
C7B2 C5B C6B 146.9(19) 2_655 . ?
C7B2 C5B C4B 30(2) 2_655 . ?
C6B C5B C4B 120.0 . . ?
C7B2 C5B C2B 85.9(16) 2_655 2_655 ?
C6B C5B C2B 62.3 . 2_655 ?
C4B C5B C2B 57.7 . 2_655 ?
C5B C6B C1B 120.0 . . ?
C5B C6B C7B1 175.3(4) . 2_655 ?
C1B C6B C7B1 63.3(3) . 2_655 ?
C5B C6B C2B 62.9(2) . 2_655 ?
C1B C6B C2B 57.2(2) . 2_655 ?
C7B1 C6B C2B 120.5(3) 2_655 2_655 ?
C5B C6B C7B2 5.4(5) . 2_655 ?
C1B C6B C7B2 114.9(5) . 2_655 ?
C7B1 C6B C7B2 177.7(6) 2_655 2_655 ?
C2B C6B C7B2 57.7(3) 2_655 2_655 ?
C7B1 C7B1 C6B 119.1(3) 2_655 2_655 ?
C7B1 C7B1 C1B 64.5(4) 2_655 . ?
C6B C7B1 C1B 54.9(2) 2_655 . ?
C5B C7B2 C4B 143(2) 2_655 2_655 ?
C5B C7B2 C2B 83.5(14) 2_655 . ?
C4B C7B2 C2B 61.6(5) 2_655 . ?
C5B C7B2 C6B 27.7(16) 2_655 2_655 ?
C4B C7B2 C6B 118.4(6) 2_655 2_655 ?
C2B C7B2 C6B 57.0(3) . 2_655 ?
C2C C1C C3C 109.0(13) 7_655 7_655 ?
C2C C1C C2C 100.7(7) 7_655 . ?
C3C C1C C2C 150.2(9) 7_655 . ?
C2C C1C C6C 19.3(7) 7_655 . ?
C3C C1C C6C 89.8(9) 7_655 . ?
C2C C1C C6C 120.0 . . ?
C2C C1C C1C 70.5(6) 7_655 7_655 ?
C3C C1C C1C 178.3(17) 7_655 7_655 ?
C2C C1C C1C 30.2(3) . 7_655 ?
C6C C1C C1C 89.8(3) . 7_655 ?
C2C C1C C7C1 138.3(12) 7_655 . ?
C3C C1C C7C1 29.4(10) 7_655 . ?
C2C C1C C7C1 121.0(8) . . ?
C6C C1C C7C1 119.0(8) . . ?
C1C C1C C7C1 151.1(10) 7_655 . ?
C2C C1C C4C 164.5(12) 7_655 7_655 ?
C3C C1C C4C 55.6(4) 7_655 7_655 ?
C2C C1C C4C 94.7(7) . 7_655 ?
C6C C1C C4C 145.3(7) . 7_655 ?
C1C C1C C4C 124.8(9) 7_655 7_655 ?
C7C1 C1C C4C 26.4(10) . 7_655 ?
C2C C1C C6C 114.4(9) 7_655 7_655 ?
C3C C1C C6C 136.5(8) 7_655 7_655 ?
C2C C1C C6C 13.7(4) . 7_655 ?
C6C C1C C6C 133.7(4) . 7_655 ?
C1C C1C C6C 43.9(5) 7_655 7_655 ?
C7C1 C1C C6C 107.2(9) . 7_655 ?
C4C C1C C6C 80.9(4) 7_655 7_655 ?
C6C C2C C1C 141.1(19) 7_655 7_655 ?
C6C C2C C3C 100.5(12) 7_655 . ?
C1C C2C C3C 40.7(7) 7_655 . ?
C6C C2C C1C 139.5(12) 7_655 . ?
C1C C2C C1C 79.3(7) 7_655 . ?
C3C C2C C1C 120.0 . . ?
C6C C2C C7C2 18.1(12) 7_655 . ?
C1C C2C C7C2 159.2(13) 7_655 . ?
C3C C2C C7C2 118.6(8) . . ?
C1C C2C C7C2 121.4(8) . . ?
C6C C2C C5C 54.2(7) 7_655 7_655 ?
C1C C2C C5C 164.5(13) 7_655 7_655 ?
C3C C2C C5C 154.7(7) . 7_655 ?
C1C C2C C5C 85.3(7) . 7_655 ?
C6C C2C C2C 164.9(13) 7_655 7_655 ?
C1C C2C C2C 53.8(7) 7_655 7_655 ?
C3C C2C C2C 94.5(3) . 7_655 ?
C1C C2C C2C 25.5(3) . 7_655 ?
C5C C2C C2C 110.8(7) 7_655 7_655 ?
C7C1 C3C C1C 116.2(13) 7_655 7_655 ?
C7C1 C3C C2C 146.4(12) 7_655 . ?
C1C C3C C2C 30.3(5) 7_655 . ?
C7C1 C3C C4C 26.7(13) 7_655 . ?
C1C C3C C4C 89.8(5) 7_655 . ?
C2C C3C C4C 120.0 . . ?
C7C1 C3C C6C 170.9(14) 7_655 7_655 ?
C1C C3C C6C 55.6(4) 7_655 7_655 ?
C2C C3C C6C 25.3(4) . 7_655 ?
C4C C3C C6C 145.3(4) . 7_655 ?
C7C1 C4C C5C 149.5(7) 7_655 . ?
C7C1 C4C C3C 29.9(7) 7_655 . ?
C5C C4C C3C 120.0 . . ?
C7C1 C4C C1C 64.4(5) 7_655 7_655 ?
C5C C4C C1C 85.3(3) . 7_655 ?
C3C C4C C1C 34.7(3) . 7_655 ?
C7C2 C5C C6C 37.6(5) 7_655 . ?
C7C2 C5C C4C 157.6(5) 7_655 . ?
C6C C5C C4C 120.0 . . ?
C6C C5C C2C 25.3(3) . 7_655 ?
C4C C5C C2C 94.7(3) . 7_655 ?
C2C C6C C7C2 146.4(16) 7_655 7_655 ?
C2C C6C C5C 100.5(7) 7_655 . ?
C7C2 C6C C5C 45.9(13) 7_655 . ?
C2C C6C C1C 19.5(7) 7_655 . ?
C7C2 C6C C1C 165.9(13) 7_655 . ?
C5C C6C C1C 120.0 . . ?
C2C C6C C3C 54.2(7) 7_655 7_655 ?
C5C C6C C3C 154.7(5) . 7_655 ?
C1C C6C C3C 34.7(5) . 7_655 ?
C2C C6C C1C 26.8(5) 7_655 7_655 ?
C5C C6C C1C 73.7(2) . 7_655 ?
C1C C6C C1C 46.3(2) . 7_655 ?
C3C C6C C1C 80.9(5) 7_655 7_655 ?
C4C C7C1 C3C 123.3(18) 7_655 7_655 ?
C4C C7C1 C1C 89.2(11) 7_655 . ?
C3C C7C1 C1C 34.5(9) 7_655 . ?
C6C C7C2 C5C 96.4(14) 7_655 7_655 ?
C6C C7C2 C2C 15.5(9) 7_655 . ?
C5C C7C2 C2C 81.0(8) 7_655 . ?
C7D2 C1D C2D 23.4(7) 5_665 . ?
C7D2 C1D C6D 143.2(7) 5_665 . ?
C2D C1D C6D 120.0 . . ?
C2D C1D C4D 33.4(3) . 5_665 ?
C6D C1D C4D 86.7(3) . 5_665 ?
C7D2 C2D C3D 144.7(14) 5_665 . ?
C4D C2D C3D 23.7(5) 5_665 . ?
C7D2 C2D C1D 24.9(14) 5_665 . ?
C4D C2D C1D 96.5(5) 5_665 . ?
C3D C2D C1D 120.0 . . ?
C4D C2D C5D 50.1(5) 5_665 5_665 ?
C3D C2D C5D 26.7(4) . 5_665 ?
C1D C2D C5D 146.6(4) . 5_665 ?
C4D C3D C5D 143.5(19) 5_665 5_665 ?
C4D C3D C4D 80.3(9) 5_665 . ?
C5D C3D C4D 134.7(11) 5_665 . ?
C4D C3D C2D 40.1(9) 5_665 . ?
C5D C3D C2D 105.1(11) 5_665 . ?
C4D C3D C2D 120.0 . . ?
C4D C3D C7D1 158.4(14) 5_665 . ?
C5D C3D C7D1 15.0(11) 5_665 . ?
C4D C3D C7D1 120.3(8) . . ?
C2D C3D C7D1 119.7(8) . . ?
C4D C3D C3D 58.0(8) 5_665 5_665 ?
C5D C3D C3D 156.2(12) 5_665 5_665 ?
C4D C3D C3D 22.3(3) . 5_665 ?
C2D C3D C3D 97.8(3) . 5_665 ?
C7D1 C3D C3D 142.4(9) . 5_665 ?
C4D C3D C6D 164.8(16) 5_665 5_665 ?
C5D C3D C6D 48.2(5) 5_665 5_665 ?
C4D C3D C6D 86.7(6) . 5_665 ?
C2D C3D C6D 153.3(6) . 5_665 ?
C7D1 C3D C6D 33.7(8) . 5_665 ?
C3D C3D C6D 108.8(7) 5_665 5_665 ?
C4D C3D C7D2 28.5(10) 5_665 5_665 ?
C5D C3D C7D2 117.2(13) 5_665 5_665 ?
C4D C3D C7D2 107.9(6) . 5_665 ?
C2D C3D C7D2 12.1(6) . 5_665 ?
C7D1 C3D C7D2 131.8(10) . 5_665 ?
C3D C3D C7D2 85.7(6) 5_665 5_665 ?
C6D C3D C7D2 165.4(9) 5_665 5_665 ?
C3D C4D C2D 116.2(15) 5_665 5_665 ?
C3D C4D C3D 99.7(8) 5_665 . ?
C2D C4D C3D 143.3(9) 5_665 . ?
C3D C4D C5D 21.0(9) 5_665 . ?
C2D C4D C5D 96.5(9) 5_665 . ?
C3D C4D C5D 120.0 . . ?
C3D C4D C4D 74.1(8) 5_665 5_665 ?
C2D C4D C4D 167.3(12) 5_665 5_665 ?
C3D C4D C4D 25.6(3) . 5_665 ?
C5D C4D C4D 94.5(3) . 5_665 ?
C3D C4D C7D2 140.3(13) 5_665 . ?
C2D C4D C7D2 24.5(10) 5_665 . ?
C3D C4D C7D2 118.8(8) . . ?
C5D C4D C7D2 121.0(8) . . ?
C4D C4D C7D2 143.8(10) 5_665 . ?
C3D C4D C1D 164.8(12) 5_665 5_665 ?
C2D C4D C1D 50.1(7) 5_665 5_665 ?
C3D C4D C1D 93.3(3) . 5_665 ?
C5D C4D C1D 146.6(3) . 5_665 ?
C4D C4D C1D 118.6(5) 5_665 5_665 ?
C7D1 C5D C3D 148.1(17) 5_665 5_665 ?
C7D1 C5D C6D 43.9(15) 5_665 . ?
C3D C5D C6D 105.1(6) 5_665 . ?
C7D1 C5D C4D 163.5(15) 5_665 . ?
C3D C5D C4D 15.5(6) 5_665 . ?
C6D C5D C4D 120.0 . . ?
C7D1 C5D C2D 162.1(17) 5_665 5_665 ?
C3D C5D C2D 48.2(6) 5_665 5_665 ?
C6D C5D C2D 153.3(5) . 5_665 ?
C4D C5D C2D 33.4(5) . 5_665 ?
C7D1 C6D C5D 31.0(5) 5_665 . ?
C7D1 C6D C1D 150.9(5) 5_665 . ?
C5D C6D C1D 120.0 . . ?
C7D1 C6D C3D 57.6(4) 5_665 5_665 ?
C5D C6D C3D 26.7(3) . 5_665 ?
C1D C6D C3D 93.3(3) . 5_665 ?
C5D C7D1 C6D 105.0(18) 5_665 5_665 ?
C5D C7D1 C3D 17.0(11) 5_665 . ?
C6D C7D1 C3D 88.8(9) 5_665 . ?
C2D C7D2 C1D 132(2) 5_665 5_665 ?
C2D C7D2 C4D 34.1(10) 5_665 . ?
C1D C7D2 C4D 97.6(12) 5_665 . ?
C2D C7D2 C3D 23.2(10) 5_665 5_665 ?
C1D C7D2 C3D 108.7(11) 5_665 5_665 ?
C4D C7D2 C3D 11.3(4) . 5_665 ?
C7E2 C1E C2E 115(2) 2_655 . ?
C7E2 C1E C6E 13(2) 2_655 . ?
C2E C1E C6E 120.0 . . ?
C3E C2E C1E 120.0 . . ?
C3E C2E C7E2 102.3(6) . 2_655 ?
C1E C2E C7E2 18.1(7) . 2_655 ?
C4E C3E C2E 120.0 . . ?
C3E C4E C5E 120.0 . . ?
C3E C4E C7E1 160.4(5) . 2_655 ?
C5E C4E C7E1 41.5(5) . 2_655 ?
C7E1 C5E C5E 87.6(9) 2_655 2_655 ?
C7E1 C5E C6E 167.5(10) 2_655 . ?
C5E C5E C6E 81.7 2_655 . ?
C7E1 C5E C4E 69.9(9) 2_655 . ?
C5E C5E C4E 157.1(3) 2_655 . ?
C6E C5E C4E 120.0 . . ?
C7E1 C5E C7E1 48.9(15) 2_655 . ?
C5E C5E C7E1 40.7(8) 2_655 . ?
C6E C5E C7E1 121.8(8) . . ?
C4E C5E C7E1 118.2(8) . . ?
C7E1 C5E C6E 140.7(10) 2_655 2_655 ?
C5E C5E C6E 54.2(2) 2_655 2_655 ?
C6E C5E C6E 27.7(2) . 2_655 ?
C4E C5E C6E 146.7(3) . 2_655 ?
C7E1 C5E C6E 94.6(8) . 2_655 ?
C7E1 C5E C7E2 162.7(13) 2_655 2_655 ?
C5E C5E C7E2 103.4(5) 2_655 2_655 ?
C6E C5E C7E2 22.7(5) . 2_655 ?
C4E C5E C7E2 97.6(5) . 2_655 ?
C7E1 C5E C7E2 144.0(9) . 2_655 ?
C6E C5E C7E2 49.4(3) 2_655 2_655 ?
C6E C6E C7E2 138.9(17) 2_655 2_655 ?
C6E C6E C5E 98.10(6) 2_655 . ?
C7E2 C6E C5E 116.6(15) 2_655 . ?
C6E C6E C1E 140.0(4) 2_655 . ?
C7E2 C6E C1E 9.4(16) 2_655 . ?
C5E C6E C1E 120.0 . . ?
C6E C6E C7E2 20.9(10) 2_655 . ?
C7E2 C6E C7E2 126(2) 2_655 . ?
C5E C6E C7E2 116.5(8) . . ?
C1E C6E C7E2 123.5(8) . . ?
C6E C6E C5E 54.2(3) 2_655 2_655 ?
C5E C6E C5E 44.1(3) . 2_655 ?
C1E C6E C5E 163.0(4) . 2_655 ?
C5E C7E1 C7E1 90.4(9) 2_655 2_655 ?
C5E C7E1 C4E 68.5(11) 2_655 2_655 ?
C7E1 C7E1 C4E 156.9(15) 2_655 2_655 ?
C5E C7E1 C5E 51.8(6) 2_655 . ?
C7E1 C7E1 C5E 40.7(8) 2_655 . ?
C4E C7E1 C5E 120.1(13) 2_655 . ?
C1E C7E2 C6E 157(4) 2_655 2_655 ?
C1E C7E2 C6E 153(3) 2_655 . ?
C6E C7E2 C6E 20.2(8) 2_655 . ?
C1E C7E2 C2E 46.9(16) 2_655 2_655 ?
C6E C7E2 C2E 139(2) 2_655 2_655 ?
C6E C7E2 C2E 157.8(15) . 2_655 ?
C1E C7E2 C5E 143(2) 2_655 2_655 ?
C6E C7E2 C5E 40.7(11) 2_655 2_655 ?
C6E C7E2 C5E 58.1(5) . 2_655 ?
C2E C7E2 C5E 99.7(11) 2_655 2_655 ?
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 O18 1.442(4) . ?
C1 C2 1.545(5) . ?
C1 C15 1.548(5) . ?
C1 H1 1.0000 . ?
C2 C3 1.506(5) . ?
C2 C20 1.521(5) . ?
C2 C19 1.547(5) . ?
C3 C4 1.394(5) . ?
C3 C14 1.409(5) . ?
C4 C5 1.380(5) . ?
C4 H4 0.9500 . ?
C5 C12 1.407(5) . ?
C5 C6 1.512(5) . ?
C6 O7 1.461(4) . ?
C6 C10 1.544(5) . ?
C6 H6 1.0000 . ?
C10 O9 1.443(4) . ?
C10 C11 1.537(5) . ?
C10 H10 1.0000 . ?
C11 C12 1.527(5) . ?
C11 C21 1.535(6) . ?
C11 C22 1.547(5) . ?
C12 C13 1.391(5) . ?
C13 C14 1.392(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.526(5) . ?
C15 O16 1.446(4) . ?
C15 H15 1.0000 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C28 1.397(5) . ?
C23 C24 1.398(4) . ?
C23 B8 1.573(5) . ?
C24 F29 1.336(4) . ?
C24 C25 1.397(4) . ?
C25 C26 1.400(4) . ?
C25 B17 1.568(5) 2_655 ?
C26 F30 1.333(4) . ?
C26 C27 1.404(4) . ?
C27 C28 1.402(5) . ?
C27 B32 1.564(5) . ?
C28 F31 1.336(4) . ?
C34 O33 1.462(4) . ?
C34 C35 1.506(4) . ?
C34 C39 1.558(4) . ?
C34 H34 1.0000 . ?
C35 C37 1.392(5) . ?
C35 C36 1.400(4) . ?
C36 C37 1.395(5) 2_655 ?
C36 H36 0.96(6) . ?
C37 C38 1.525(4) . ?
C38 C42 1.538(5) . ?
C38 C41 1.539(5) . ?
C38 C39 1.543(5) . ?
C39 O40 1.446(4) . ?
C39 H39 1.0000 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
B8 O9 1.359(5) . ?
B8 O7 1.368(4) . ?
B17 O18 1.366(5) . ?
B17 O16 1.371(4) . ?
B32 O40 1.367(4) . ?
B32 O33 1.370(4) . ?
C1B C2B 1.390(3) 2_655 ?
C1B C2B 1.3899 . ?
C1B C6B 1.3902 . ?
C1B C6B 1.3903 2_655 ?
C1B C7B1 1.519(2) 2_655 ?
C1B C7B1 1.519(2) . ?
C2B C2B 1.270(7) 2_655 ?
C2B C3B 1.279(6) 2_655 ?
C2B C3B 1.3900 . ?
C2B C4B 1.406(9) 2_655 ?
C2B C6B 1.5071 2_655 ?
C2B C5B 1.515(6) 2_655 ?
C2B C7B2 1.520(2) . ?
C3B C3B 0.260(15) 2_655 ?
C3B C4B 1.3900 . ?
C3B C4B 1.631(14) 2_655 ?
C4B C7B2 1.155(17) 2_655 ?
C4B C5B 1.3900 . ?
C5B C7B2 0.282(17) 2_655 ?
C5B C6B 1.3900 . ?
C6B C7B1 1.497(9) 2_655 ?
C6B C7B2 1.634(13) 2_655 ?
C7B1 C7B1 1.308(19) 2_655 ?
C1C C2C 0.741(9) 7_655 ?
C1C C3C 0.959(9) 7_655 ?
C1C C2C 1.3900 . ?
C1C C6C 1.3900 . ?
C1C C1C 1.449(9) 7_655 ?
C1C C7C1 1.520(2) . ?
C1C C4C 1.685(8) 7_655 ?
C1C C6C 2.005(11) 7_655 ?
C2C C6C 0.733(8) 7_655 ?
C2C C3C 1.3900 . ?
C2C C7C2 1.520(2) . ?
C2C C5C 1.685(10) 7_655 ?
C2C C2C 1.692(9) 7_655 ?
C3C C7C1 0.830(13) 7_655 ?
C3C C4C 1.3900 . ?
C3C C6C 1.685(12) 7_655 ?
C4C C7C1 0.75(2) 7_655 ?
C4C C5C 1.3900 . ?
C5C C7C2 1.01(2) 7_655 ?
C5C C6C 1.3900 . ?
C6C C7C2 0.854(9) 7_655 ?
C1D C7D2 0.78(2) 5_665 ?
C1D C2D 1.3900 . ?
C1D C6D 1.3900 . ?
C1D C4D 1.800(8) 5_665 ?
C2D C7D2 0.740(12) 5_665 ?
C2D C4D 0.997(10) 5_665 ?
C2D C3D 1.3900 . ?
C2D C5D 1.800(12) 5_665 ?
C3D C4D 0.624(8) 5_665 ?
C3D C5D 0.838(8) 5_665 ?
C3D C4D 1.3900 . ?
C3D C7D1 1.520(2) . ?
C3D C3D 1.616(10) 5_665 ?
C3D C6D 1.800(9) 5_665 ?
C3D C7D2 2.039(9) 5_665 ?
C4D C5D 1.3900 . ?
C4D C4D 1.425(10) 5_665 ?
C4D C7D2 1.520(2) . ?
C5D C7D1 0.742(9) 5_665 ?
C5D C6D 1.3900 . ?
C6D C7D1 1.00(2) 5_665 ?
C1E C7E2 0.592(11) 2_655 ?
C1E C2E 1.3900 . ?
C1E C6E 1.3900 . ?
C2E C3E 1.3900 . ?
C2E C7E2 1.726(13) 2_655 ?
C3E C4E 1.3900 . ?
C4E C5E 1.3900 . ?
C4E C7E1 1.403(18) 2_655 ?
C5E C7E1 0.990(15) 2_655 ?
C5E C5E 1.194(10) 2_655 ?
C5E C6E 1.3900 . ?
C5E C7E1 1.518(2) . ?
C5E C6E 1.697(5) 2_655 ?
C5E C7E2 1.907(18) 2_655 ?
C6E C6E 0.797(9) 2_655 ?
C6E C7E2 0.824(10) 2_655 ?
C6E C7E2 1.518(2) . ?
C7E1 C7E1 1.14(3) 2_655 ?
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
O18 C1 C2 C3 -87.0(3) . . . . ?
C15 C1 C2 C3 25.4(3) . . . . ?
O18 C1 C2 C20 36.2(4) . . . . ?
C15 C1 C2 C20 148.6(3) . . . . ?
O18 C1 C2 C19 158.4(3) . . . . ?
C15 C1 C2 C19 -89.2(3) . . . . ?
C20 C2 C3 C4 36.2(5) . . . . ?
C1 C2 C3 C4 158.9(3) . . . . ?
C19 C2 C3 C4 -87.1(4) . . . . ?
C20 C2 C3 C14 -145.4(3) . . . . ?
C1 C2 C3 C14 -22.6(3) . . . . ?
C19 C2 C3 C14 91.4(3) . . . . ?
C14 C3 C4 C5 -3.1(5) . . . . ?
C2 C3 C4 C5 175.2(3) . . . . ?
C3 C4 C5 C12 -2.4(5) . . . . ?
C3 C4 C5 C6 174.5(3) . . . . ?
C4 C5 C6 O7 -60.8(4) . . . . ?
C12 C5 C6 O7 116.4(3) . . . . ?
C4 C5 C6 C10 -173.7(3) . . . . ?
C12 C5 C6 C10 3.6(3) . . . . ?
O7 C6 C10 O9 -12.0(3) . . . . ?
C5 C6 C10 O9 103.3(3) . . . . ?
O7 C6 C10 C11 -131.3(3) . . . . ?
C5 C6 C10 C11 -15.9(3) . . . . ?
O9 C10 C11 C12 -92.0(3) . . . . ?
C6 C10 C11 C12 21.2(3) . . . . ?
O9 C10 C11 C21 31.8(4) . . . . ?
C6 C10 C11 C21 145.0(3) . . . . ?
O9 C10 C11 C22 154.5(3) . . . . ?
C6 C10 C11 C22 -92.3(4) . . . . ?
C4 C5 C12 C13 6.0(5) . . . . ?
C6 C5 C12 C13 -171.4(3) . . . . ?
C4 C5 C12 C11 -172.2(3) . . . . ?
C6 C5 C12 C11 10.4(4) . . . . ?
C21 C11 C12 C13 39.2(5) . . . . ?
C10 C11 C12 C13 162.3(3) . . . . ?
C22 C11 C12 C13 -84.0(4) . . . . ?
C21 C11 C12 C5 -142.7(3) . . . . ?
C10 C11 C12 C5 -19.6(4) . . . . ?
C22 C11 C12 C5 94.0(4) . . . . ?
C5 C12 C13 C14 -3.7(5) . . . . ?
C11 C12 C13 C14 174.1(3) . . . . ?
C12 C13 C14 C3 -1.9(5) . . . . ?
C12 C13 C14 C15 173.0(3) . . . . ?
C4 C3 C14 C13 5.4(5) . . . . ?
C2 C3 C14 C13 -173.2(3) . . . . ?
C4 C3 C14 C15 -170.3(3) . . . . ?
C2 C3 C14 C15 11.1(4) . . . . ?
C13 C14 C15 O16 -57.8(4) . . . . ?
C3 C14 C15 O16 117.6(3) . . . . ?
C13 C14 C15 C1 -169.8(3) . . . . ?
C3 C14 C15 C1 5.6(4) . . . . ?
O18 C1 C15 O16 -16.4(3) . . . . ?
C2 C1 C15 O16 -134.7(3) . . . . ?
O18 C1 C15 C14 98.8(3) . . . . ?
C2 C1 C15 C14 -19.6(3) . . . . ?
C28 C23 C24 F29 179.6(3) . . . . ?
B8 C23 C24 F29 -6.3(4) . . . . ?
C28 C23 C24 C25 -1.6(5) . . . . ?
B8 C23 C24 C25 172.4(3) . . . . ?
F29 C24 C25 C26 180.0(3) . . . . ?
C23 C24 C25 C26 1.2(5) . . . . ?
F29 C24 C25 B17 6.3(4) . . . 2_655 ?
C23 C24 C25 B17 -172.5(3) . . . 2_655 ?
C24 C25 C26 F30 -179.5(3) . . . . ?
B17 C25 C26 F30 -5.9(5) 2_655 . . . ?
C24 C25 C26 C27 0.1(5) . . . . ?
B17 C25 C26 C27 173.8(3) 2_655 . . . ?
F30 C26 C27 C28 178.8(3) . . . . ?
C25 C26 C27 C28 -0.9(5) . . . . ?
F30 C26 C27 B32 5.4(4) . . . . ?
C25 C26 C27 B32 -174.2(3) . . . . ?
C24 C23 C28 F31 -179.9(3) . . . . ?
B8 C23 C28 F31 6.1(5) . . . . ?
C24 C23 C28 C27 0.7(5) . . . . ?
B8 C23 C28 C27 -173.2(3) . . . . ?
C26 C27 C28 F31 -178.9(3) . . . . ?
B32 C27 C28 F31 -5.6(4) . . . . ?
C26 C27 C28 C23 0.4(5) . . . . ?
B32 C27 C28 C23 173.8(3) . . . . ?
O33 C34 C35 C37 116.4(3) . . . . ?
C39 C34 C35 C37 4.4(3) . . . . ?
O33 C34 C35 C36 -59.4(4) . . . . ?
C39 C34 C35 C36 -171.4(3) . . . . ?
C37 C35 C36 C37 -2.5(4) . . . 2_655 ?
C34 C35 C36 C37 172.9(3) . . . 2_655 ?
C36 C35 C37 C36 5.5(4) . . . 2_655 ?
C34 C35 C37 C36 -170.6(3) . . . 2_655 ?
C36 C35 C37 C38 -173.8(3) . . . . ?
C34 C35 C37 C38 10.1(4) . . . . ?
C35 C37 C38 C42 -142.5(3) . . . . ?
C36 C37 C38 C42 38.2(5) 2_655 . . . ?
C35 C37 C38 C41 95.1(3) . . . . ?
C36 C37 C38 C41 -84.2(4) 2_655 . . . ?
C35 C37 C38 C39 -20.1(3) . . . . ?
C36 C37 C38 C39 160.7(3) 2_655 . . . ?
C37 C38 C39 O40 -89.9(3) . . . . ?
C42 C38 C39 O40 33.1(4) . . . . ?
C41 C38 C39 O40 154.9(3) . . . . ?
C37 C38 C39 C34 22.0(3) . . . . ?
C42 C38 C39 C34 144.9(3) . . . . ?
C41 C38 C39 C34 -93.3(3) . . . . ?
O33 C34 C39 O40 -15.0(3) . . . . ?
C35 C34 C39 O40 100.4(3) . . . . ?
O33 C34 C39 C38 -132.2(3) . . . . ?
C35 C34 C39 C38 -16.7(3) . . . . ?
C28 C23 B8 O9 177.2(3) . . . . ?
C24 C23 B8 O9 3.7(5) . . . . ?
C28 C23 B8 O7 0.3(5) . . . . ?
C24 C23 B8 O7 -173.2(3) . . . . ?
C28 C27 B32 O40 4.8(5) . . . . ?
C26 C27 B32 O40 177.6(3) . . . . ?
C28 C27 B32 O33 -173.5(3) . . . . ?
C26 C27 B32 O33 -0.7(5) . . . . ?
O9 B8 O7 C6 -8.0(4) . . . . ?
C23 B8 O7 C6 169.1(3) . . . . ?
C5 C6 O7 B8 -99.6(3) . . . . ?
C10 C6 O7 B8 12.2(3) . . . . ?
O7 B8 O9 C10 -0.1(4) . . . . ?
C23 B8 O9 C10 -177.2(3) . . . . ?
C11 C10 O9 B8 123.4(3) . . . . ?
C6 C10 O9 B8 7.6(4) . . . . ?
O18 B17 O16 C15 -9.2(4) . . . . ?
C25 B17 O16 C15 168.2(3) 2_655 . . . ?
C14 C15 O16 B17 -94.9(3) . . . . ?
C1 C15 O16 B17 15.6(3) . . . . ?
O16 B17 O18 C1 -1.9(4) . . . . ?
C25 B17 O18 C1 -179.4(3) 2_655 . . . ?
C2 C1 O18 B17 126.3(3) . . . . ?
C15 C1 O18 B17 11.3(3) . . . . ?
O40 B32 O33 C34 -8.9(4) . . . . ?
C27 B32 O33 C34 169.5(3) . . . . ?
C35 C34 O33 B32 -96.6(3) . . . . ?
C39 C34 O33 B32 14.5(3) . . . . ?
O33 B32 O40 C39 -1.3(4) . . . . ?
C27 B32 O40 C39 -179.8(3) . . . . ?
C38 C39 O40 B32 124.3(3) . . . . ?
C34 C39 O40 B32 10.2(3) . . . . ?
C6B C1B C2B C2B 2.8(3) . . . 2_655 ?
C6B C1B C2B C2B -177.4(5) 2_655 . . 2_655 ?
C7B1 C1B C2B C2B -175.9(5) . . . 2_655 ?
C2B C1B C2B C3B 3.3(6) 2_655 . . 2_655 ?
C6B C1B C2B C3B 6.1(8) . . . 2_655 ?
C6B C1B C2B C3B -174.1(11) 2_655 . . 2_655 ?
C7B1 C1B C2B C3B -172.6(8) . . . 2_655 ?
C2B C1B C2B C3B -2.8(3) 2_655 . . . ?
C6B C1B C2B C3B 0.0 . . . . ?
C6B C1B C2B C3B 179.9(4) 2_655 . . . ?
C7B1 C1B C2B C3B -178.7(5) . . . . ?
C2B C1B C2B C4B 157(4) 2_655 . . 2_655 ?
C6B C1B C2B C4B 160(4) . . . 2_655 ?
C6B C1B C2B C4B -21(3) 2_655 . . 2_655 ?
C7B1 C1B C2B C4B -19(4) . . . 2_655 ?
C2B C1B C2B C6B 177.4(5) 2_655 . . 2_655 ?
C6B C1B C2B C6B -179.9(4) . . . 2_655 ?
C7B1 C1B C2B C6B 1.4(7) . . . 2_655 ?
C2B C1B C2B C5B 175.3(9) 2_655 . . 2_655 ?
C6B C1B C2B C5B 178.0(8) . . . 2_655 ?
C6B C1B C2B C5B -2.1(4) 2_655 . . 2_655 ?
C7B1 C1B C2B C5B -0.7(9) . . . 2_655 ?
C2B C1B C2B C7B2 176.9(9) 2_655 . . . ?
C6B C1B C2B C7B2 179.7(9) . . . . ?
C6B C1B C2B C7B2 -0.5(6) 2_655 . . . ?
C7B1 C1B C2B C7B2 1.0(10) . . . . ?
C2B C2B C3B C3B 149(4) 2_655 . . 2_655 ?
C1B C2B C3B C3B 152(3) . . . 2_655 ?
C4B C2B C3B C3B -24(3) 2_655 . . 2_655 ?
C5B C2B C3B C3B -26(3) 2_655 . . 2_655 ?
C7B2 C2B C3B C3B -28(3) . . . 2_655 ?
C3B C2B C3B C2B -149(4) 2_655 . . 2_655 ?
C1B C2B C3B C2B 2.9(4) . . . 2_655 ?
C4B C2B C3B C2B -172.7(11) 2_655 . . 2_655 ?
C5B C2B C3B C2B -174.8(10) 2_655 . . 2_655 ?
C7B2 C2B C3B C2B -176.8(8) . . . 2_655 ?
C2B C2B C3B C4B -2.9(4) 2_655 . . . ?
C3B C2B C3B C4B -152(3) 2_655 . . . ?
C1B C2B C3B C4B 0.0 . . . . ?
C4B C2B C3B C4B -175.6(9) 2_655 . . . ?
C5B C2B C3B C4B -177.7(9) 2_655 . . . ?
C7B2 C2B C3B C4B -179.7(8) . . . . ?
C2B C2B C3B C4B 172.7(11) 2_655 . . 2_655 ?
C3B C2B C3B C4B 24(3) 2_655 . . 2_655 ?
C1B C2B C3B C4B 175.6(9) . . . 2_655 ?
C5B C2B C3B C4B -2.1(3) 2_655 . . 2_655 ?
C7B2 C2B C3B C4B -4.1(7) . . . 2_655 ?
C3B C3B C4B C7B2 -79.2(15) 2_655 . . 2_655 ?
C2B C3B C4B C7B2 0.6(10) 2_655 . . 2_655 ?
C2B C3B C4B C7B2 3.3(11) . . . 2_655 ?
C3B C3B C4B C5B -82.4(9) 2_655 . . . ?
C2B C3B C4B C5B -2.7(3) 2_655 . . . ?
C2B C3B C4B C5B 0.0 . . . . ?
C3B C3B C4B C2B -79.7(7) 2_655 . . 2_655 ?
C2B C3B C4B C2B 2.7(3) . . . 2_655 ?
C2B C3B C4B C3B 79.7(7) 2_655 . . 2_655 ?
C2B C3B C4B C3B 82.4(9) . . . 2_655 ?
C3B C4B C5B C7B2 158(7) . . . 2_655 ?
C2B C4B C5B C7B2 156(7) 2_655 . . 2_655 ?
C3B C4B C5B C7B2 154(7) 2_655 . . 2_655 ?
C7B2 C4B C5B C6B -158(7) 2_655 . . . ?
C3B C4B C5B C6B 0.0 . . . . ?
C2B C4B C5B C6B -2.4(3) 2_655 . . . ?
C3B C4B C5B C6B -4.3(6) 2_655 . . . ?
C7B2 C4B C5B C2B -156(7) 2_655 . . 2_655 ?
C3B C4B C5B C2B 2.4(3) . . . 2_655 ?
C3B C4B C5B C2B -1.8(4) 2_655 . . 2_655 ?
C7B2 C5B C6B C1B -20(7) 2_655 . . . ?
C4B C5B C6B C1B 0.0 . . . . ?
C2B C5B C6B C1B -2.3(3) 2_655 . . . ?
C7B2 C5B C6B C2B -18(6) 2_655 . . 2_655 ?
C4B C5B C6B C2B 2.3(3) . . . 2_655 ?
C4B C5B C6B C7B2 20(7) . . . 2_655 ?
C2B C5B C6B C7B2 18(6) 2_655 . . 2_655 ?
C2B C1B C6B C5B 2.5(3) 2_655 . . . ?
C2B C1B C6B C5B 0.0 . . . . ?
C7B1 C1B C6B C5B -176.2(5) 2_655 . . . ?
C7B1 C1B C6B C5B 178.9(4) . . . . ?
C2B C1B C6B C7B1 178.7(5) 2_655 . . 2_655 ?
C2B C1B C6B C7B1 176.2(5) . . . 2_655 ?
C7B1 C1B C6B C7B1 -4.9(9) . . . 2_655 ?
C2B C1B C6B C2B -2.5(3) . . . 2_655 ?
C7B1 C1B C6B C2B -178.7(5) 2_655 . . 2_655 ?
C7B1 C1B C6B C2B 176.4(5) . . . 2_655 ?
C2B C1B C6B C7B2 0.4(6) 2_655 . . 2_655 ?
C2B C1B C6B C7B2 -2.0(7) . . . 2_655 ?
C7B1 C1B C6B C7B2 -178.3(9) 2_655 . . 2_655 ?
C7B1 C1B C6B C7B2 176.8(8) . . . 2_655 ?
C2B C1B C7B1 C7B1 -175.7(6) . . . 2_655 ?
C6B C1B C7B1 C7B1 5.5(10) . . . 2_655 ?
C6B C1B C7B1 C7B1 -174.2(11) 2_655 . . 2_655 ?
C2B C1B C7B1 C6B -1.5(7) . . . 2_655 ?
C6B C1B C7B1 C6B 179.7(5) . . . 2_655 ?
C7B1 C1B C7B1 C6B 174.2(11) 2_655 . . 2_655 ?
C3B C2B C7B2 C5B 167(3) 2_655 . . 2_655 ?
C1B C2B C7B2 C5B -8(3) . . . 2_655 ?
C3B C2B C7B2 C5B 171(3) . . . 2_655 ?
C4B C2B C7B2 C5B 166(4) 2_655 . . 2_655 ?
C6B C2B C7B2 C5B -9(3) 2_655 . . 2_655 ?
C3B C2B C7B2 C4B 0.4(6) 2_655 . . 2_655 ?
C1B C2B C7B2 C4B -174.3(10) . . . 2_655 ?
C3B C2B C7B2 C4B 5.4(10) . . . 2_655 ?
C6B C2B C7B2 C4B -174.7(11) 2_655 . . 2_655 ?
C5B C2B C7B2 C4B -166(4) 2_655 . . 2_655 ?
C3B C2B C7B2 C6B 175.2(9) 2_655 . . 2_655 ?
C1B C2B C7B2 C6B 0.4(6) . . . 2_655 ?
C3B C2B C7B2 C6B -179.9(4) . . . 2_655 ?
C4B C2B C7B2 C6B 174.7(11) 2_655 . . 2_655 ?
C5B C2B C7B2 C6B 9(3) 2_655 . . 2_655 ?
C2C C1C C2C C6C -177(3) 7_655 . . 7_655 ?
C3C C1C C2C C6C 0(3) 7_655 . . 7_655 ?
C6C C1C C2C C6C -178(2) . . . 7_655 ?
C1C C1C C2C C6C -177(3) 7_655 . . 7_655 ?
C7C1 C1C C2C C6C 3(2) . . . 7_655 ?
C4C C1C C2C C6C 1.5(18) 7_655 . . 7_655 ?
C2C C1C C2C C1C 0.0(5) 7_655 . . 7_655 ?
C3C C1C C2C C1C 177(3) 7_655 . . 7_655 ?
C6C C1C C2C C1C -1.3(9) . . . 7_655 ?
C7C1 C1C C2C C1C -179.9(16) . . . 7_655 ?
C4C C1C C2C C1C 178.1(18) 7_655 . . 7_655 ?
C6C C1C C2C C1C 177(3) 7_655 . . 7_655 ?
C2C C1C C2C C3C 1.3(10) 7_655 . . . ?
C3C C1C C2C C3C 178(3) 7_655 . . . ?
C6C C1C C2C C3C 0.0 . . . . ?
C1C C1C C2C C3C 1.3(9) 7_655 . . . ?
C7C1 C1C C2C C3C -178.5(10) . . . . ?
C4C C1C C2C C3C 179.4(9) 7_655 . . . ?
C6C C1C C2C C3C 178(2) 7_655 . . . ?
C2C C1C C2C C7C2 -177.4(15) 7_655 . . . ?
C3C C1C C2C C7C2 -1(3) 7_655 . . . ?
C6C C1C C2C C7C2 -178.7(10) . . . . ?
C1C C1C C2C C7C2 -177.4(16) 7_655 . . . ?
C4C C1C C2C C7C2 0.7(10) 7_655 . . . ?
C6C C1C C2C C7C2 -1(2) 7_655 . . . ?
C2C C1C C2C C5C -178.1(16) 7_655 . . 7_655 ?
C3C C1C C2C C5C -1(2) 7_655 . . 7_655 ?
C6C C1C C2C C5C -179.4(9) . . . 7_655 ?
C1C C1C C2C C5C -178.1(18) 7_655 . . 7_655 ?
C7C1 C1C C2C C5C 2.0(10) . . . 7_655 ?
C4C C1C C2C C5C 0.0(4) 7_655 . . 7_655 ?
C6C C1C C2C C5C -1.5(15) 7_655 . . 7_655 ?
C3C C1C C2C C2C 177(3) 7_655 . . 7_655 ?
C6C C1C C2C C2C -1.3(10) . . . 7_655 ?
C1C C1C C2C C2C 0.0(5) 7_655 . . 7_655 ?
C7C1 C1C C2C C2C -179.9(17) . . . 7_655 ?
C4C C1C C2C C2C 178.1(18) 7_655 . . 7_655 ?
C6C C1C C2C C2C 177(3) 7_655 . . 7_655 ?
C6C C2C C3C C7C1 172(3) 7_655 . . 7_655 ?
C1C C2C C3C C7C1 -4(3) 7_655 . . 7_655 ?
C1C C2C C3C C7C1 -6(3) . . . 7_655 ?
C5C C2C C3C C7C1 172(3) 7_655 . . 7_655 ?
C2C C2C C3C C7C1 -6(3) 7_655 . . 7_655 ?
C6C C2C C3C C1C 177(3) 7_655 . . 7_655 ?
C1C C2C C3C C1C -2.0(14) . . . 7_655 ?
C7C2 C2C C3C C1C 177(2) . . . 7_655 ?
C5C C2C C3C C1C 177(3) 7_655 . . 7_655 ?
C2C C2C C3C C1C -1.4(11) 7_655 . . 7_655 ?
C6C C2C C3C C4C 178.7(15) 7_655 . . . ?
C1C C2C C3C C4C 2.0(14) 7_655 . . . ?
C1C C2C C3C C4C 0.0 . . . . ?
C7C2 C2C C3C C4C 178.7(9) . . . . ?
C5C C2C C3C C4C 179(2) 7_655 . . . ?
C2C C2C C3C C4C 0.6(4) 7_655 . . . ?
C1C C2C C3C C6C -177(3) 7_655 . . 7_655 ?
C1C C2C C3C C6C -178.7(15) . . . 7_655 ?
C7C2 C2C C3C C6C 0.1(13) . . . 7_655 ?
C5C C2C C3C C6C 0.0(9) 7_655 . . 7_655 ?
C2C C2C C3C C6C -178.1(17) 7_655 . . 7_655 ?
C1C C3C C4C C7C1 -171(3) 7_655 . . 7_655 ?
C2C C3C C4C C7C1 -172(3) . . . 7_655 ?
C6C C3C C4C C7C1 -171(4) 7_655 . . 7_655 ?
C7C1 C3C C4C C5C 172(3) 7_655 . . . ?
C1C C3C C4C C5C 1.0(7) 7_655 . . . ?
C2C C3C C4C C5C 0.0 . . . . ?
C6C C3C C4C C5C 1.0(12) 7_655 . . . ?
C7C1 C3C C4C C1C 171(3) 7_655 . . 7_655 ?
C2C C3C C4C C1C -1.0(7) . . . 7_655 ?
C6C C3C C4C C1C 0.0(7) 7_655 . . 7_655 ?
C3C C4C C5C C7C2 2(3) . . . 7_655 ?
C1C C4C C5C C7C2 2(3) 7_655 . . 7_655 ?
C7C1 C4C C5C C6C 8(3) 7_655 . . . ?
C3C C4C C5C C6C 0.0 . . . . ?
C1C C4C C5C C6C 0.6(4) 7_655 . . . ?
C7C1 C4C C5C C2C 7(3) 7_655 . . 7_655 ?
C3C C4C C5C C2C -0.6(4) . . . 7_655 ?
C1C C4C C5C C2C 0.0(2) 7_655 . . 7_655 ?
C7C2 C5C C6C C2C 180(2) 7_655 . . 7_655 ?
C4C C5C C6C C2C -1.3(10) . . . 7_655 ?
C4C C5C C6C C7C2 178.8(19) . . . 7_655 ?
C2C C5C C6C C7C2 -180(2) 7_655 . . 7_655 ?
C7C2 C5C C6C C1C -178.8(19) 7_655 . . . ?
C4C C5C C6C C1C 0.0 . . . . ?
C2C C5C C6C C1C 1.3(10) 7_655 . . . ?
C7C2 C5C C6C C3C 180(3) 7_655 . . 7_655 ?
C4C C5C C6C C3C -1.3(17) . . . 7_655 ?
C2C C5C C6C C3C 0.0(9) 7_655 . . 7_655 ?
C7C2 C5C C6C C1C -179(2) 7_655 . . 7_655 ?
C4C C5C C6C C1C -0.5(4) . . . 7_655 ?
C2C C5C C6C C1C 0.8(7) 7_655 . . 7_655 ?
C3C C1C C6C C2C -175(4) 7_655 . . 7_655 ?
C2C C1C C6C C2C 4(3) . . . 7_655 ?
C1C C1C C6C C2C 3(2) 7_655 . . 7_655 ?
C7C1 C1C C6C C2C -178(3) . . . 7_655 ?
C4C C1C C6C C2C -175(4) 7_655 . . 7_655 ?
C6C C1C C6C C2C 3(3) 7_655 . . 7_655 ?
C2C C1C C6C C7C2 -7(5) 7_655 . . 7_655 ?
C3C C1C C6C C7C2 177(6) 7_655 . . 7_655 ?
C2C C1C C6C C7C2 -4(6) . . . 7_655 ?
C1C C1C C6C C7C2 -4(6) 7_655 . . 7_655 ?
C4C C1C C6C C7C2 177(6) 7_655 . . 7_655 ?
C6C C1C C6C C7C2 -4(6) 7_655 . . 7_655 ?
C2C C1C C6C C5C -4(3) 7_655 . . . ?
C3C C1C C6C C5C -179.0(13) 7_655 . . . ?
C2C C1C C6C C5C 0.0 . . . . ?
C1C C1C C6C C5C -0.7(5) 7_655 . . . ?
C7C1 C1C C6C C5C 178.6(10) . . . . ?
C4C C1C C6C C5C -179.0(16) 7_655 . . . ?
C6C C1C C6C C5C -0.7(8) 7_655 . . . ?
C2C C1C C6C C3C 175(4) 7_655 . . 7_655 ?
C2C C1C C6C C3C 179.0(13) . . . 7_655 ?
C1C C1C C6C C3C 178.3(17) 7_655 . . 7_655 ?
C7C1 C1C C6C C3C -2.4(11) . . . 7_655 ?
C4C C1C C6C C3C 0.0(7) 7_655 . . 7_655 ?
C6C C1C C6C C3C 178.3(17) 7_655 . . 7_655 ?
C2C C1C C6C C1C -3(2) 7_655 . . 7_655 ?
C3C C1C C6C C1C -178.3(17) 7_655 . . 7_655 ?
C2C C1C C6C C1C 0.7(5) . . . 7_655 ?
C7C1 C1C C6C C1C 179.2(13) . . . 7_655 ?
C4C C1C C6C C1C -178(2) 7_655 . . 7_655 ?
C6C C1C C6C C1C 0.0(5) 7_655 . . 7_655 ?
C2C C1C C7C1 C4C 176(3) 7_655 . . 7_655 ?
C3C C1C C7C1 C4C 172(4) 7_655 . . 7_655 ?
C2C C1C C7C1 C4C -5(2) . . . 7_655 ?
C6C C1C C7C1 C4C 176.9(17) . . . 7_655 ?
C1C C1C C7C1 C4C -5(3) 7_655 . . 7_655 ?
C6C C1C C7C1 C4C -3.7(17) 7_655 . . 7_655 ?
C2C C1C C7C1 C3C 4(2) 7_655 . . 7_655 ?
C2C C1C C7C1 C3C -176(2) . . . 7_655 ?
C6C C1C C7C1 C3C 5(2) . . . 7_655 ?
C1C C1C C7C1 C3C -177(3) 7_655 . . 7_655 ?
C4C C1C C7C1 C3C -172(4) 7_655 . . 7_655 ?
C6C C1C C7C1 C3C -176(2) 7_655 . . 7_655 ?
C1C C2C C7C2 C6C 6(4) 7_655 . . 7_655 ?
C3C C2C C7C2 C6C 0(4) . . . 7_655 ?
C1C C2C C7C2 C6C 178(4) . . . 7_655 ?
C5C C2C C7C2 C6C 180(100) 7_655 . . 7_655 ?
C2C C2C C7C2 C6C 176(5) 7_655 . . 7_655 ?
C6C C2C C7C2 C5C -180(100) 7_655 . . 7_655 ?
C1C C2C C7C2 C5C -174(5) 7_655 . . 7_655 ?
C3C C2C C7C2 C5C -180.0(13) . . . 7_655 ?
C1C C2C C7C2 C5C -1.2(16) . . . 7_655 ?
C2C C2C C7C2 C5C -3(2) 7_655 . . 7_655 ?
C6D C1D C2D C7D2 174(4) . . . 5_665 ?
C4D C1D C2D C7D2 177(4) 5_665 . . 5_665 ?
C7D2 C1D C2D C4D -177(4) 5_665 . . 5_665 ?
C6D C1D C2D C4D -3.7(7) . . . 5_665 ?
C7D2 C1D C2D C3D -174(4) 5_665 . . . ?
C6D C1D C2D C3D 0.0 . . . . ?
C4D C1D C2D C3D 3.7(7) 5_665 . . . ?
C7D2 C1D C2D C5D -177(4) 5_665 . . 5_665 ?
C6D C1D C2D C5D -3.7(12) . . . 5_665 ?
C4D C1D C2D C5D 0.0(7) 5_665 . . 5_665 ?
C7D2 C2D C3D C4D -14(3) 5_665 . . 5_665 ?
C1D C2D C3D C4D -9.1(17) . . . 5_665 ?
C5D C2D C3D C4D 166(3) 5_665 . . 5_665 ?
C7D2 C2D C3D C5D 180(4) 5_665 . . 5_665 ?
C4D C2D C3D C5D -166(3) 5_665 . . 5_665 ?
C1D C2D C3D C5D -175.5(15) . . . 5_665 ?
C7D2 C2D C3D C4D -5(3) 5_665 . . . ?
C4D C2D C3D C4D 9.1(17) 5_665 . . . ?
C1D C2D C3D C4D 0.0 . . . . ?
C5D C2D C3D C4D 175.5(15) 5_665 . . . ?
C4D C2D C3D C7D1 -170(2) 5_665 . . . ?
C1D C2D C3D C7D1 -179.0(10) . . . . ?
C5D C2D C3D C7D1 -3.5(13) 5_665 . . . ?
C7D2 C2D C3D C3D -7(3) 5_665 . . 5_665 ?
C4D C2D C3D C3D 6.8(14) 5_665 . . 5_665 ?
C1D C2D C3D C3D -2.3(5) . . . 5_665 ?
C5D C2D C3D C3D 173.3(18) 5_665 . . 5_665 ?
C7D2 C2D C3D C6D 180(4) 5_665 . . 5_665 ?
C4D C2D C3D C6D -166(4) 5_665 . . 5_665 ?
C1D C2D C3D C6D -176(2) . . . 5_665 ?
C5D C2D C3D C6D 0.0(8) 5_665 . . 5_665 ?
C4D C2D C3D C7D2 14(3) 5_665 . . 5_665 ?
C1D C2D C3D C7D2 5(3) . . . 5_665 ?
C5D C2D C3D C7D2 -180(4) 5_665 . . 5_665 ?
C4D C3D C4D C3D 0.0(10) 5_665 . . 5_665 ?
C5D C3D C4D C3D 168(3) 5_665 . . 5_665 ?
C2D C3D C4D C3D -5.9(12) . . . 5_665 ?
C7D1 C3D C4D C3D 173.1(17) . . . 5_665 ?
C6D C3D C4D C3D 172.1(19) 5_665 . . 5_665 ?
C7D2 C3D C4D C3D -6.9(13) 5_665 . . 5_665 ?
C4D C3D C4D C2D -168(3) 5_665 . . 5_665 ?
C5D C3D C4D C2D 0(2) 5_665 . . 5_665 ?
C2D C3D C4D C2D -174(2) . . . 5_665 ?
C7D1 C3D C4D C2D 5(2) . . . 5_665 ?
C3D C3D C4D C2D -168(3) 5_665 . . 5_665 ?
C6D C3D C4D C2D 4.1(16) 5_665 . . 5_665 ?
C7D2 C3D C4D C2D -175(2) 5_665 . . 5_665 ?
C4D C3D C4D C5D 5.9(11) 5_665 . . . ?
C5D C3D C4D C5D 174(2) 5_665 . . . ?
C2D C3D C4D C5D 0.0 . . . . ?
C7D1 C3D C4D C5D 179.0(10) . . . . ?
C3D C3D C4D C5D 5.9(12) 5_665 . . . ?
C6D C3D C4D C5D 178.0(9) 5_665 . . . ?
C7D2 C3D C4D C5D -1.0(6) 5_665 . . . ?
C5D C3D C4D C4D 168(3) 5_665 . . 5_665 ?
C2D C3D C4D C4D -5.9(11) . . . 5_665 ?
C7D1 C3D C4D C4D 173.1(18) . . . 5_665 ?
C3D C3D C4D C4D 0.0(10) 5_665 . . 5_665 ?
C6D C3D C4D C4D 172.1(19) 5_665 . . 5_665 ?
C7D2 C3D C4D C4D -6.9(11) 5_665 . . 5_665 ?
C4D C3D C4D C7D2 -169.9(16) 5_665 . . . ?
C5D C3D C4D C7D2 -2(2) 5_665 . . . ?
C2D C3D C4D C7D2 -175.8(10) . . . . ?
C3D C3D C4D C7D2 -169.9(19) 5_665 . . . ?
C6D C3D C4D C7D2 2.2(10) 5_665 . . . ?
C7D2 C3D C4D C7D2 -176.8(6) 5_665 . . . ?
C4D C3D C4D C1D -172.1(15) 5_665 . . 5_665 ?
C5D C3D C4D C1D -4.1(18) 5_665 . . 5_665 ?
C2D C3D C4D C1D -178.0(4) . . . 5_665 ?
C7D1 C3D C4D C1D 1.0(9) . . . 5_665 ?
C3D C3D C4D C1D -172.1(15) 5_665 . . 5_665 ?
C6D C3D C4D C1D 0.0(6) 5_665 . . 5_665 ?
C7D2 C3D C4D C1D -179.0(8) 5_665 . . 5_665 ?
C3D C4D C5D C7D1 5(6) 5_665 . . 5_665 ?
C2D C4D C5D C7D1 165(6) 5_665 . . 5_665 ?
C3D C4D C5D C7D1 -11(6) . . . 5_665 ?
C4D C4D C5D C7D1 -9(6) 5_665 . . 5_665 ?
C1D C4D C5D C7D1 165(6) 5_665 . . 5_665 ?
C2D C4D C5D C3D 160(4) 5_665 . . 5_665 ?
C3D C4D C5D C3D -16(3) . . . 5_665 ?
C4D C4D C5D C3D -14(3) 5_665 . . 5_665 ?
C7D2 C4D C5D C3D 159(4) . . . 5_665 ?
C1D C4D C5D C3D 160(4) 5_665 . . 5_665 ?
C3D C4D C5D C6D 16(3) 5_665 . . . ?
C2D C4D C5D C6D 176.3(13) 5_665 . . . ?
C3D C4D C5D C6D 0.0 . . . . ?
C4D C4D C5D C6D 2.6(5) 5_665 . . . ?
C7D2 C4D C5D C6D 175.7(10) . . . . ?
C1D C4D C5D C6D 176.3(7) 5_665 . . . ?
C3D C4D C5D C2D -160(4) 5_665 . . 5_665 ?
C3D C4D C5D C2D -176.3(13) . . . 5_665 ?
C4D C4D C5D C2D -173.8(16) 5_665 . . 5_665 ?
C7D2 C4D C5D C2D -0.6(11) . . . 5_665 ?
C1D C4D C5D C2D 0.0(8) 5_665 . . 5_665 ?
C3D C5D C6D C7D1 -171(3) 5_665 . . 5_665 ?
C4D C5D C6D C7D1 -175(2) . . . 5_665 ?
C2D C5D C6D C7D1 -171(3) 5_665 . . 5_665 ?
C7D1 C5D C6D C1D 175(2) 5_665 . . . ?
C3D C5D C6D C1D 4.5(9) 5_665 . . . ?
C4D C5D C6D C1D 0.0 . . . . ?
C2D C5D C6D C1D 4.5(16) 5_665 . . . ?
C7D1 C5D C6D C3D 171(3) 5_665 . . 5_665 ?
C4D C5D C6D C3D -4.5(9) . . . 5_665 ?
C2D C5D C6D C3D 0.0(8) 5_665 . . 5_665 ?
C2D C1D C6D C7D1 5(3) . . . 5_665 ?
C4D C1D C6D C7D1 3(3) 5_665 . . 5_665 ?
C7D2 C1D C6D C5D 4(3) 5_665 . . . ?
C2D C1D C6D C5D 0.0 . . . . ?
C4D C1D C6D C5D -2.0(4) 5_665 . . . ?
C7D2 C1D C6D C3D 6(3) 5_665 . . 5_665 ?
C2D C1D C6D C3D 2.0(4) . . . 5_665 ?
C4D C1D C6D C3D 0.0(4) 5_665 . . 5_665 ?
C4D C3D C7D1 C5D -4(5) 5_665 . . 5_665 ?
C4D C3D C7D1 C5D -166(5) . . . 5_665 ?
C2D C3D C7D1 C5D 13(5) . . . 5_665 ?
C3D C3D C7D1 C5D -162(5) 5_665 . . 5_665 ?
C6D C3D C7D1 C5D -164(6) 5_665 . . 5_665 ?
C4D C3D C7D1 C6D 159(5) 5_665 . . 5_665 ?
C5D C3D C7D1 C6D 164(6) 5_665 . . 5_665 ?
C4D C3D C7D1 C6D -1.9(17) . . . 5_665 ?
C2D C3D C7D1 C6D 177.2(14) . . . 5_665 ?
C3D C3D C7D1 C6D 2(2) 5_665 . . 5_665 ?
C3D C4D C7D2 C2D 13(2) 5_665 . . 5_665 ?
C3D C4D C7D2 C2D 177(3) . . . 5_665 ?
C5D C4D C7D2 C2D 2(3) . . . 5_665 ?
C4D C4D C7D2 C2D 170(3) 5_665 . . 5_665 ?
C1D C4D C7D2 C2D -178(4) 5_665 . . 5_665 ?
C3D C4D C7D2 C1D -169(2) 5_665 . . 5_665 ?
C2D C4D C7D2 C1D 178(4) 5_665 . . 5_665 ?
C3D C4D C7D2 C1D -5(2) . . . 5_665 ?
C5D C4D C7D2 C1D 179.2(13) . . . 5_665 ?
C4D C4D C7D2 C1D -12(3) 5_665 . . 5_665 ?
C2D C4D C7D2 C3D -13(2) 5_665 . . 5_665 ?
C3D C4D C7D2 C3D 164(3) . . . 5_665 ?
C5D C4D C7D2 C3D -11(2) . . . 5_665 ?
C4D C4D C7D2 C3D 157(4) 5_665 . . 5_665 ?
C1D C4D C7D2 C3D 169(2) 5_665 . . 5_665 ?
C7E2 C1E C2E C3E -14(2) 2_655 . . . ?
C6E C1E C2E C3E 0.0 . . . . ?
C6E C1E C2E C7E2 14(2) . . . 2_655 ?
C1E C2E C3E C4E 0.0 . . . . ?
C7E2 C2E C3E C4E -4.3(8) 2_655 . . . ?
C2E C3E C4E C5E 0.0 . . . . ?
C2E C3E C4E C7E1 17(3) . . . 2_655 ?
C3E C4E C5E C7E1 171.6(13) . . . 2_655 ?
C3E C4E C5E C5E 160(2) . . . 2_655 ?
C7E1 C4E C5E C5E -11(2) 2_655 . . 2_655 ?
C3E C4E C5E C6E 0.0 . . . . ?
C7E1 C4E C5E C6E -171.6(13) 2_655 . . . ?
C3E C4E C5E C7E1 179.7(9) . . . . ?
C7E1 C4E C5E C7E1 8(2) 2_655 . . . ?
C3E C4E C5E C6E 10.8(11) . . . 2_655 ?
C7E1 C4E C5E C6E -160.8(19) 2_655 . . 2_655 ?
C3E C4E C5E C7E2 3.9(7) . . . 2_655 ?
C7E1 C5E C6E C6E 27(5) 2_655 . . 2_655 ?
C5E C5E C6E C6E -5.2(8) 2_655 . . 2_655 ?
C4E C5E C6E C6E 167.2(14) . . . 2_655 ?
C7E1 C5E C6E C6E -12.5(14) . . . 2_655 ?
C7E2 C5E C6E C6E 157(3) 2_655 . . 2_655 ?
C5E C5E C6E C7E2 -162(2) 2_655 . . 2_655 ?
C4E C5E C6E C7E2 9.9(17) . . . 2_655 ?
C6E C5E C6E C7E2 -157(3) 2_655 . . 2_655 ?
C7E1 C5E C6E C1E -141(6) 2_655 . . . ?
C5E C5E C6E C1E -172.4(10) 2_655 . . . ?
C4E C5E C6E C1E 0.0 . . . . ?
C7E1 C5E C6E C1E -179.7(9) . . . . ?
C6E C5E C6E C1E -167.2(14) 2_655 . . . ?
C7E2 C5E C6E C1E -9.9(17) 2_655 . . . ?
C5E C5E C6E C7E2 5.3(11) 2_655 . . . ?
C4E C5E C6E C7E2 177.7(9) . . . . ?
C6E C5E C6E C7E2 10.5(14) 2_655 . . . ?
C7E2 C5E C6E C7E2 167.8(13) 2_655 . . . ?
C7E1 C5E C6E C5E 32(5) 2_655 . . 2_655 ?
C4E C5E C6E C5E 172.4(10) . . . 2_655 ?
C7E1 C5E C6E C5E -7.3(10) . . . 2_655 ?
C6E C5E C6E C5E 5.2(8) 2_655 . . 2_655 ?
C7E2 C5E C6E C5E 162(2) 2_655 . . 2_655 ?
C7E2 C1E C6E C6E -89(9) 2_655 . . 2_655 ?
C2E C1E C6E C6E -160(2) . . . 2_655 ?
C2E C1E C6E C7E2 -71(9) . . . 2_655 ?
C7E2 C1E C6E C5E 71(9) 2_655 . . . ?
C2E C1E C6E C5E 0.0 . . . . ?
C7E2 C1E C6E C7E2 -107(9) 2_655 . . . ?
C2E C1E C6E C7E2 -177.6(9) . . . . ?
C7E2 C1E C6E C5E 53(9) 2_655 . . 2_655 ?
C2E C1E C6E C5E -18(2) . . . 2_655 ?
C7E1 C5E C7E1 C5E -158(3) 2_655 . . 2_655 ?
C6E C5E C7E1 C5E 11.2(15) . . . 2_655 ?
C4E C5E C7E1 C5E -168.6(14) . . . 2_655 ?
C6E C5E C7E1 C5E 5.4(10) 2_655 . . 2_655 ?
C5E C5E C7E1 C7E1 158(3) 2_655 . . 2_655 ?
C6E C5E C7E1 C7E1 169.5(17) . . . 2_655 ?
C4E C5E C7E1 C7E1 -10(2) . . . 2_655 ?
C6E C5E C7E1 C7E1 164(2) 2_655 . . 2_655 ?
C7E1 C5E C7E1 C4E -163(3) 2_655 . . 2_655 ?
C5E C5E C7E1 C4E -4.7(6) 2_655 . . 2_655 ?
C6E C5E C7E1 C4E 6.5(18) . . . 2_655 ?
C4E C5E C7E1 C4E -173.2(14) . . . 2_655 ?
C6E C5E C7E1 C4E 0.7(14) 2_655 . . 2_655 ?
C6E C6E C7E2 C1E -123(8) 2_655 . . 2_655 ?
C7E2 C6E C7E2 C1E 13(5) 2_655 . . 2_655 ?
C5E C6E C7E2 C1E -154(6) . . . 2_655 ?
C1E C6E C7E2 C1E 24(7) . . . 2_655 ?
C5E C6E C7E2 C1E -150(7) 2_655 . . 2_655 ?
C7E2 C6E C7E2 C6E 136(5) 2_655 . . 2_655 ?
C5E C6E C7E2 C6E -30(3) . . . 2_655 ?
C1E C6E C7E2 C6E 147(3) . . . 2_655 ?
C5E C6E C7E2 C6E -27(3) 2_655 . . 2_655 ?
C6E C6E C7E2 C2E 25(2) 2_655 . . 2_655 ?
C7E2 C6E C7E2 C2E 161(5) 2_655 . . 2_655 ?
C5E C6E C7E2 C2E -5(4) . . . 2_655 ?
C1E C6E C7E2 C2E 173(4) . . . 2_655 ?
C5E C6E C7E2 C2E -1(3) 2_655 . . 2_655 ?
C6E C6E C7E2 C5E 27(3) 2_655 . . 2_655 ?
C7E2 C6E C7E2 C5E 163(2) 2_655 . . 2_655 ?
C5E C6E C7E2 C5E -3.9(8) . . . 2_655 ?
C1E C6E C7E2 C5E 173.8(8) . . . 2_655 ?
