#------------------------------------------------------------------------------
#$Date: 2019-12-11 10:56:16 +0200 (Wed, 11 Dec 2019) $
#$Revision: 244978 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/64/1556486.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_1556486
loop_
_publ_author_name
'Rosca, S.-C.'
'Roueindeji, H.'
'Dorcet, V.'
'Roisnel, T.'
'Carpentier, J.-F.'
'Sarazin, Y.'
_publ_section_title
;
 K+...Cpi and K+...F Non-Covalent Interactions in pi-Functionalized
 Potassium Fluoroalkoxides
;
_journal_name_full               Inorganics
_journal_page_first              13
_journal_paper_doi               10.3390/inorganics5010013
_journal_volume                  5
_journal_year                    2017
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C104 H112 F48 K8 N8 O8'
_chemical_formula_sum            'C104 H112 F48 K8 N8 O8'
_chemical_formula_weight         2826.82
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 97.5260(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.2195(4)
_cell_length_b                   11.8504(4)
_cell_length_c                   39.8155(13)
_cell_measurement_reflns_used    9234
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      24.56
_cell_measurement_theta_min      2.26
_cell_measurement_wavelength     0.71073
_cell_volume                     6651.4(4)
_computing_cell_refinement       'Bruker APEX2 (Bruker, 2006)'
_computing_data_collection       'Bruker APEX2 (Bruker, 2006)'
_computing_data_reduction        'Bruker APEX2 (Bruker, 2006)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material
;
          WinGX publication routines (Farrugia, 2012),
          CRYSCALc (T. Roisnel, local program, 2014)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'APEXII, Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.055
_diffrn_reflns_av_unetI/netI     0.0623
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       51
_diffrn_reflns_limit_l_min       -51
_diffrn_reflns_number            59233
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.92
_exptl_absorpt_coefficient_mu    0.378
_exptl_absorpt_correction_T_max  0.945
_exptl_absorpt_correction_T_min  0.889
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2002). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2880
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.27
_refine_diff_density_min         -0.301
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.989
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     797
_refine_ls_number_reflns         15220
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.989
_refine_ls_R_factor_all          0.0797
_refine_ls_R_factor_gt           0.0453
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0536P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1054
_refine_ls_wR_factor_ref         0.1185
_reflns_number_gt                9649
_reflns_number_total             15220
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            Complex_1_SR556_CIFfile.cif
_cod_data_source_block           SR556
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1556486
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
K1 K 0.34803(4) 0.53334(4) 0.646144(12) 0.03112(13) Uani 1 1 d . . .
C1 C 0.3250(3) 0.4627(3) 0.72789(7) 0.0661(9) Uani 1 1 d . . .
H1 H 0.3525 0.5274 0.7394 0.079 Uiso 1 1 calc R . .
C2 C 0.3840(2) 0.3735(3) 0.71952(8) 0.0656(9) Uani 1 1 d . . .
H2 H 0.4509 0.3785 0.7249 0.079 Uiso 1 1 calc R . .
C3 C 0.3430(3) 0.2795(3) 0.70342(7) 0.0588(8) Uani 1 1 d . . .
H3 H 0.3818 0.2189 0.6978 0.071 Uiso 1 1 calc R . .
C4 C 0.2470(2) 0.2729(3) 0.69554(7) 0.0557(8) Uani 1 1 d . . .
H4 H 0.2192 0.2076 0.6845 0.067 Uiso 1 1 calc R . .
C5 C 0.1904(2) 0.3601(2) 0.70341(7) 0.0529(8) Uani 1 1 d . . .
H5 H 0.1236 0.3544 0.6976 0.064 Uiso 1 1 calc R . .
C6 C 0.2285(2) 0.4564(2) 0.71956(7) 0.0509(8) Uani 1 1 d . . .
C7 C 0.1654(3) 0.5511(2) 0.72839(8) 0.0699(10) Uani 1 1 d . . .
H7A H 0.1675 0.5531 0.7533 0.084 Uiso 1 1 calc R . .
H7B H 0.0994 0.533 0.7187 0.084 Uiso 1 1 calc R . .
C8 C 0.1888(2) 0.6693(2) 0.71645(7) 0.0564(8) Uani 1 1 d . . .
H8A H 0.1386 0.7218 0.7217 0.068 Uiso 1 1 calc R . .
H8B H 0.2492 0.6942 0.7296 0.068 Uiso 1 1 calc R . .
N9 N 0.19762(14) 0.67817(17) 0.67987(5) 0.0380(5) Uani 1 1 d . . .
C10 C 0.1111(2) 0.6416(3) 0.65899(7) 0.0578(8) Uani 1 1 d . . .
H10A H 0.0575 0.6872 0.6644 0.087 Uiso 1 1 calc R . .
H10B H 0.0992 0.562 0.6636 0.087 Uiso 1 1 calc R . .
H10C H 0.1183 0.6511 0.635 0.087 Uiso 1 1 calc R . .
C11 C 0.21792(18) 0.7959(2) 0.67199(7) 0.0408(6) Uani 1 1 d . . .
H11A H 0.2146 0.8419 0.6925 0.049 Uiso 1 1 calc R . .
H11B H 0.1674 0.823 0.6543 0.049 Uiso 1 1 calc R . .
C12 C 0.31550(16) 0.8173(2) 0.65952(6) 0.0311(5) Uani 1 1 d . . .
O13 O 0.33397(11) 0.75321(13) 0.63300(4) 0.0301(4) Uani 1 1 d . . .
C14 C 0.39524(19) 0.8025(2) 0.68917(6) 0.0403(6) Uani 1 1 d . . .
F15 F 0.38445(12) 0.86166(14) 0.71715(4) 0.0632(5) Uani 1 1 d . . .
F16 F 0.48110(10) 0.82946(13) 0.68090(4) 0.0511(4) Uani 1 1 d . . .
F17 F 0.40276(11) 0.69415(13) 0.69937(4) 0.0484(4) Uani 1 1 d . . .
C18 C 0.31276(18) 0.9432(2) 0.64903(6) 0.0374(6) Uani 1 1 d . . .
F19 F 0.24292(10) 0.96209(13) 0.62369(4) 0.0503(4) Uani 1 1 d . . .
F20 F 0.29868(13) 1.01604(13) 0.67385(4) 0.0638(5) Uani 1 1 d . . .
F21 F 0.39278(10) 0.97727(12) 0.63750(4) 0.0499(4) Uani 1 1 d . . .
K2 K 0.43419(3) 0.49287(4) 0.557491(12) 0.02840(12) Uani 1 1 d . . .
C31 C 0.0271(2) 0.0768(3) 0.65372(9) 0.0656(9) Uani 1 1 d . . .
H31 H 0.0829 0.073 0.643 0.079 Uiso 1 1 calc R . .
C32 C 0.0268(3) 0.0259(3) 0.68490(10) 0.0873(12) Uani 1 1 d . . .
H32 H 0.0819 -0.012 0.6954 0.105 Uiso 1 1 calc R . .
C33 C -0.0532(4) 0.0304(4) 0.70075(11) 0.0963(13) Uani 1 1 d . . .
H33 H -0.0538 -0.0033 0.7224 0.116 Uiso 1 1 calc R . .
C34 C -0.1306(3) 0.0831(4) 0.68522(11) 0.0955(14) Uani 1 1 d . . .
H34 H -0.1865 0.0851 0.6959 0.115 Uiso 1 1 calc R . .
C35 C -0.1307(2) 0.1349(3) 0.65376(9) 0.0710(10) Uani 1 1 d . . .
H35 H -0.1863 0.172 0.6434 0.085 Uiso 1 1 calc R . .
C36 C -0.05076(18) 0.1326(2) 0.63775(8) 0.0470(7) Uani 1 1 d . . .
C37 C -0.04663(18) 0.1939(2) 0.60487(7) 0.0470(7) Uani 1 1 d . . .
H37A H -0.1118 0.2126 0.5944 0.056 Uiso 1 1 calc R . .
H37B H -0.0177 0.1442 0.5891 0.056 Uiso 1 1 calc R . .
C38 C 0.01158(17) 0.3024(2) 0.61060(7) 0.0405(6) Uani 1 1 d . . .
H38A H -0.0231 0.3561 0.6235 0.049 Uiso 1 1 calc R . .
H38B H 0.0725 0.2845 0.6246 0.049 Uiso 1 1 calc R . .
N39 N 0.03151(13) 0.35728(17) 0.57952(5) 0.0361(5) Uani 1 1 d . . .
C40 C -0.05361(18) 0.4085(3) 0.56123(8) 0.0560(8) Uani 1 1 d . . .
H40A H -0.1026 0.3506 0.5561 0.084 Uiso 1 1 calc R . .
H40B H -0.0383 0.4417 0.5401 0.084 Uiso 1 1 calc R . .
H40C H -0.077 0.4674 0.5753 0.084 Uiso 1 1 calc R . .
C41 C 0.10940(16) 0.4398(2) 0.58622(6) 0.0356(6) Uani 1 1 d . . .
H41A H 0.1232 0.4492 0.6111 0.043 Uiso 1 1 calc R . .
H41B H 0.0855 0.5132 0.5768 0.043 Uiso 1 1 calc R . .
C42 C 0.20509(15) 0.41585(19) 0.57259(5) 0.0270(5) Uani 1 1 d . . .
O43 O 0.26498(10) 0.50418(12) 0.58039(4) 0.0283(3) Uani 1 1 d . . .
C44 C 0.25139(16) 0.30840(19) 0.58894(6) 0.0314(5) Uani 1 1 d . . .
F45 F 0.27056(10) 0.32130(12) 0.62275(3) 0.0448(4) Uani 1 1 d . . .
F46 F 0.20017(9) 0.21250(11) 0.58427(4) 0.0404(3) Uani 1 1 d . . .
F47 F 0.33550(9) 0.28538(12) 0.57812(4) 0.0422(4) Uani 1 1 d . . .
C48 C 0.18792(16) 0.3982(2) 0.53392(6) 0.0356(6) Uani 1 1 d . . .
F49 F 0.13586(11) 0.48360(13) 0.51876(4) 0.0530(4) Uani 1 1 d . . .
F50 F 0.26978(9) 0.39871(13) 0.52009(3) 0.0460(4) Uani 1 1 d . . .
F51 F 0.14384(10) 0.30238(13) 0.52344(3) 0.0470(4) Uani 1 1 d . . .
K3 K 0.25086(3) 0.72996(4) 0.570379(12) 0.02608(12) Uani 1 1 d . . .
C61 C 0.08259(16) 0.9417(2) 0.56098(7) 0.0416(6) Uani 1 1 d . . .
H61 H 0.1024 1.0117 0.5712 0.05 Uiso 1 1 calc R . .
C62 C 0.03807(17) 0.8631(2) 0.57955(7) 0.0464(7) Uani 1 1 d . . .
H62 H 0.0273 0.8798 0.6021 0.056 Uiso 1 1 calc R . .
C63 C 0.00946(17) 0.7600(2) 0.56497(8) 0.0499(7) Uani 1 1 d . . .
H63 H -0.0204 0.7056 0.5775 0.06 Uiso 1 1 calc R . .
C64 C 0.02479(17) 0.7371(2) 0.53199(8) 0.0460(7) Uani 1 1 d . . .
H64 H 0.0054 0.6668 0.5219 0.055 Uiso 1 1 calc R . .
C65 C 0.06833(17) 0.8167(2) 0.51372(7) 0.0425(7) Uani 1 1 d . . .
H65 H 0.0777 0.8004 0.491 0.051 Uiso 1 1 calc R . .
C66 C 0.09873(16) 0.9201(2) 0.52795(7) 0.0381(6) Uani 1 1 d . . .
C67 C 0.14727(18) 1.0076(2) 0.50855(7) 0.0486(7) Uani 1 1 d . . .
H67A H 0.1593 1.0756 0.5229 0.058 Uiso 1 1 calc R . .
H67B H 0.1036 1.0295 0.4882 0.058 Uiso 1 1 calc R . .
C68 C 0.24017(17) 0.9692(2) 0.49753(6) 0.0426(6) Uani 1 1 d . . .
H68A H 0.2263 0.9113 0.4797 0.051 Uiso 1 1 calc R . .
H68B H 0.2696 1.0343 0.4873 0.051 Uiso 1 1 calc R . .
N69 N 0.30901(13) 0.92270(15) 0.52452(5) 0.0291(4) Uani 1 1 d . . .
C70 C 0.33374(18) 1.0054(2) 0.55158(6) 0.0405(6) Uani 1 1 d . . .
H70A H 0.3573 1.0744 0.542 0.061 Uiso 1 1 calc R . .
H70B H 0.3831 0.974 0.5685 0.061 Uiso 1 1 calc R . .
H70C H 0.2774 1.023 0.5624 0.061 Uiso 1 1 calc R . .
C71 C 0.39593(16) 0.88618(19) 0.51087(6) 0.0320(5) Uani 1 1 d . . .
H71A H 0.451 0.9269 0.523 0.038 Uiso 1 1 calc R . .
H71B H 0.3907 0.9076 0.4867 0.038 Uiso 1 1 calc R . .
C72 C 0.41472(15) 0.75698(18) 0.51411(5) 0.0257(5) Uani 1 1 d . . .
O73 O 0.41793(10) 0.71636(12) 0.54596(3) 0.0248(3) Uani 1 1 d . . .
C74 C 0.51170(16) 0.7373(2) 0.50136(6) 0.0316(5) Uani 1 1 d . . .
F75 F 0.57966(9) 0.80129(12) 0.51854(4) 0.0426(4) Uani 1 1 d . . .
F76 F 0.54216(9) 0.62961(11) 0.50575(3) 0.0392(3) Uani 1 1 d . . .
F77 F 0.51359(10) 0.75962(13) 0.46824(3) 0.0473(4) Uani 1 1 d . . .
C78 C 0.34017(16) 0.69173(19) 0.48959(5) 0.0293(5) Uani 1 1 d . . .
F79 F 0.25524(8) 0.68936(11) 0.50116(3) 0.0351(3) Uani 1 1 d . . .
F80 F 0.32356(10) 0.73359(12) 0.45802(3) 0.0445(4) Uani 1 1 d . . .
F81 F 0.36417(9) 0.58229(11) 0.48618(3) 0.0412(3) Uani 1 1 d . . .
K4 K 0.51164(3) 0.76436(4) 0.608636(12) 0.03001(12) Uani 1 1 d . . .
C91 C 0.69304(19) 0.9063(2) 0.65121(7) 0.0478(7) Uani 1 1 d . . .
H91 H 0.7138 0.8648 0.6712 0.057 Uiso 1 1 calc R . .
C92 C 0.6218(2) 0.9872(3) 0.65152(8) 0.0539(8) Uani 1 1 d . . .
H92 H 0.5956 1.001 0.6719 0.065 Uiso 1 1 calc R . .
C93 C 0.5892(2) 1.0471(2) 0.62285(9) 0.0581(8) Uani 1 1 d . . .
H93 H 0.5406 1.1019 0.6233 0.07 Uiso 1 1 calc R . .
C94 C 0.6275(3) 1.0267(3) 0.59371(9) 0.0694(9) Uani 1 1 d . . .
H94 H 0.6049 1.0668 0.5736 0.083 Uiso 1 1 calc R . .
C95 C 0.6994(2) 0.9476(3) 0.59333(7) 0.0576(8) Uani 1 1 d . . .
H95 H 0.7259 0.9352 0.5729 0.069 Uiso 1 1 calc R . .
C96 C 0.73365(18) 0.8862(2) 0.62204(7) 0.0432(7) Uani 1 1 d . . .
C97 C 0.81420(19) 0.8038(3) 0.62150(8) 0.0565(8) Uani 1 1 d . . .
H97A H 0.8682 0.8295 0.638 0.068 Uiso 1 1 calc R . .
H97B H 0.835 0.8058 0.5987 0.068 Uiso 1 1 calc R . .
C98 C 0.79140(18) 0.6820(3) 0.62974(7) 0.0512(7) Uani 1 1 d . . .
H98A H 0.8465 0.6342 0.6264 0.061 Uiso 1 1 calc R . .
H98B H 0.7827 0.6774 0.654 0.061 Uiso 1 1 calc R . .
N99 N 0.70636(13) 0.63553(18) 0.60931(5) 0.0406(5) Uani 1 1 d . . .
C100 C 0.7164(2) 0.6411(3) 0.57308(7) 0.0600(8) Uani 1 1 d . . .
H10D H 0.7752 0.6032 0.5691 0.09 Uiso 1 1 calc R . .
H10E H 0.7185 0.7202 0.5661 0.09 Uiso 1 1 calc R . .
H10F H 0.6622 0.6035 0.5599 0.09 Uiso 1 1 calc R . .
C101 C 0.68950(17) 0.5183(2) 0.61862(8) 0.0485(7) Uani 1 1 d . . .
H10G H 0.744 0.4926 0.6349 0.058 Uiso 1 1 calc R . .
H10H H 0.6873 0.4709 0.5981 0.058 Uiso 1 1 calc R . .
C102 C 0.59603(16) 0.4986(2) 0.63480(6) 0.0343(6) Uani 1 1 d . . .
O103 O 0.51775(10) 0.54616(13) 0.61781(4) 0.0303(4) Uani 1 1 d . . .
C104 C 0.60981(19) 0.5424(2) 0.67152(7) 0.0464(7) Uani 1 1 d . . .
F105 F 0.61927(10) 0.65462(13) 0.67240(4) 0.0522(4) Uani 1 1 d . . .
F106 F 0.68618(13) 0.50100(17) 0.69072(5) 0.0888(7) Uani 1 1 d . . .
F107 F 0.53509(12) 0.51966(14) 0.68813(4) 0.0573(4) Uani 1 1 d . . .
C108 C 0.58209(18) 0.3697(2) 0.63530(7) 0.0431(6) Uani 1 1 d . . .
F109 F 0.65601(12) 0.31141(13) 0.65121(4) 0.0645(5) Uani 1 1 d . . .
F110 F 0.56685(11) 0.32899(12) 0.60329(4) 0.0515(4) Uani 1 1 d . . .
F111 F 0.50561(11) 0.33786(12) 0.64968(4) 0.0534(4) Uani 1 1 d . . .
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 0 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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
O13 K1 O43 85.64(5) . .
O13 K1 O103 85.07(5) . .
O43 K1 O103 84.75(4) . .
O13 K1 F45 141.56(5) . .
O43 K1 F45 58.57(4) . .
O103 K1 F45 103.47(5) . .
O13 K1 F17 60.18(4) . .
O43 K1 F17 145.57(5) . .
O103 K1 F17 95.54(5) . .
F45 K1 F17 151.55(4) . .
O13 K1 F107 101.77(5) . .
O43 K1 F107 140.75(5) . .
O103 K1 F107 58.07(4) . .
F45 K1 F107 114.66(5) . .
F17 K1 F107 58.91(4) . .
O13 K1 N9 61.06(5) . .
O43 K1 N9 103.98(5) . .
O103 K1 N9 143.66(5) . .
F45 K1 N9 111.22(5) . .
F17 K1 N9 57.53(5) . .
F107 K1 N9 113.38(5) . .
O13 K1 F111 138.49(4) . .
O43 K1 F111 99.27(4) . .
O103 K1 F111 54.80(4) . .
F45 K1 F111 67.43(4) . .
F17 K1 F111 108.97(4) . .
F107 K1 F111 50.56(4) . .
N9 K1 F111 151.16(5) . .
O13 K1 C12 20.96(5) . .
O43 K1 C12 102.72(5) . .
O103 K1 C12 98.60(5) . .
F45 K1 C12 148.97(5) . .
F17 K1 C12 43.06(5) . .
F107 K1 C12 95.46(5) . .
N9 K1 C12 45.20(5) . .
F111 K1 C12 143.50(5) . .
O13 K1 K2 88.10(3) . .
O43 K1 K2 43.28(3) . .
O103 K1 K2 41.84(3) . .
F45 K1 K2 75.55(3) . .
F17 K1 K2 131.16(3) . .
F107 K1 K2 97.96(3) . .
N9 K1 K2 139.07(4) . .
F111 K1 K2 69.66(3) . .
C12 K1 K2 108.85(4) . .
O13 K1 K3 41.93(3) . .
O43 K1 K3 43.72(3) . .
O103 K1 K3 83.86(3) . .
F45 K1 K3 100.98(3) . .
F17 K1 K3 101.95(3) . .
F107 K1 K3 131.98(3) . .
N9 K1 K3 79.33(4) . .
F111 K1 K3 129.50(3) . .
C12 K1 K3 59.84(4) . .
K2 K1 K3 59.932(12) . .
O13 K1 K4 44.73(3) . .
O43 K1 K4 85.92(3) . .
O103 K1 K4 40.46(3) . .
F45 K1 K4 134.35(3) . .
F17 K1 K4 73.02(3) . .
F107 K1 K4 74.02(3) . .
N9 K1 K4 104.16(4) . .
F111 K1 K4 94.20(3) . .
C12 K1 K4 59.12(4) . .
K2 K1 K4 58.797(12) . .
K3 K1 K4 57.990(12) . .
C6 C1 C2 120.5(3) . .
C6 C1 H1 119.8 . .
C2 C1 H1 119.8 . .
C3 C2 C1 119.1(3) . .
C3 C2 H2 120.5 . .
C1 C2 H2 120.5 . .
C4 C3 C2 120.2(3) . .
C4 C3 H3 119.9 . .
C2 C3 H3 119.9 . .
C3 C4 C5 120.3(3) . .
C3 C4 H4 119.8 . .
C5 C4 H4 119.8 . .
C4 C5 C6 121.4(3) . .
C4 C5 H5 119.3 . .
C6 C5 H5 119.3 . .
C1 C6 C5 118.4(3) . .
C1 C6 C7 120.7(3) . .
C5 C6 C7 120.9(3) . .
C6 C7 C8 116.7(2) . .
C6 C7 H7A 108.1 . .
C8 C7 H7A 108.1 . .
C6 C7 H7B 108.1 . .
C8 C7 H7B 108.1 . .
H7A C7 H7B 107.3 . .
N9 C8 C7 114.9(2) . .
N9 C8 H8A 108.5 . .
C7 C8 H8A 108.5 . .
N9 C8 H8B 108.5 . .
C7 C8 H8B 108.5 . .
H8A C8 H8B 107.5 . .
C10 N9 C11 109.6(2) . .
C10 N9 C8 111.4(2) . .
C11 N9 C8 108.80(19) . .
C10 N9 K1 99.41(14) . .
C11 N9 K1 105.15(13) . .
C8 N9 K1 121.72(17) . .
N9 C10 H10A 109.5 . .
N9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
N9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
N9 C11 C12 115.6(2) . .
N9 C11 H11A 108.4 . .
C12 C11 H11A 108.4 . .
N9 C11 H11B 108.4 . .
C12 C11 H11B 108.4 . .
H11A C11 H11B 107.4 . .
O13 C12 C14 109.66(19) . .
O13 C12 C18 109.29(18) . .
C14 C12 C18 107.9(2) . .
O13 C12 C11 115.5(2) . .
C14 C12 C11 109.63(19) . .
C18 C12 C11 104.57(19) . .
C14 C12 K1 84.67(13) . .
C18 C12 K1 153.88(14) . .
C11 C12 K1 91.92(14) . .
C12 O13 K3 133.56(14) . .
C12 O13 K1 114.40(13) . .
K3 O13 K1 95.55(5) . .
C12 O13 K4 121.00(13) . .
K3 O13 K4 89.45(4) . .
K1 O13 K4 93.77(5) . .
F15 C14 F16 106.6(2) . .
F15 C14 F17 105.1(2) . .
F16 C14 F17 105.2(2) . .
F15 C14 C12 115.2(2) . .
F16 C14 C12 112.8(2) . .
F17 C14 C12 111.2(2) . .
C14 F16 K4 114.55(13) . .
C14 F17 K1 113.94(13) . .
F19 C18 F21 105.69(19) . .
F19 C18 F20 106.2(2) . .
F21 C18 F20 105.8(2) . .
F19 C18 C12 110.7(2) . .
F21 C18 C12 112.90(19) . .
F20 C18 C12 114.8(2) . .
C18 F21 K4 112.45(13) . .
O103 K2 O43 89.76(5) . .
O103 K2 O73 86.42(5) . .
O43 K2 O73 87.02(4) . .
O103 K2 F50 145.41(5) . .
O43 K2 F50 58.90(4) . .
O73 K2 F50 104.56(5) . .
O103 K2 F76 144.15(4) . 3_666
O43 K2 F76 121.29(4) . 3_666
O73 K2 F76 110.71(4) . 3_666
F50 K2 F76 62.47(4) . 3_666
O103 K2 F47 96.84(5) . .
O43 K2 F47 58.38(4) . .
O73 K2 F47 145.12(4) . .
F50 K2 F47 55.75(4) . .
F76 K2 F47 86.58(4) 3_666 .
O103 K2 F81 145.02(5) . .
O43 K2 F81 95.75(4) . .
O73 K2 F81 59.53(4) . .
F50 K2 F81 60.29(4) . .
F76 K2 F81 56.13(4) 3_666 .
F47 K2 F81 115.43(4) . .
O103 K2 F110 56.40(4) . .
O43 K2 F110 109.41(5) . .
O73 K2 F110 137.98(4) . .
F50 K2 F110 117.13(5) . .
F76 K2 F110 93.69(4) 3_666 .
F47 K2 F110 66.34(4) . .
F81 K2 F110 148.44(4) . .
O103 K2 F76 105.84(4) . .
O43 K2 F76 136.60(4) . .
O73 K2 F76 54.88(4) . .
F50 K2 F76 107.24(4) . .
F76 K2 F76 65.15(4) 3_666 .
F47 K2 F76 151.73(4) . .
F81 K2 F76 49.39(4) . .
F110 K2 F76 112.97(4) . .
O103 K2 F77 114.41(4) . 3_666
O43 K2 F77 113.65(4) . 3_666
O73 K2 F77 149.55(4) . 3_666
F50 K2 F77 71.41(4) . 3_666
F76 K2 F77 39.83(4) 3_666 3_666
F47 K2 F77 58.04(3) . 3_666
F81 K2 F77 94.89(4) . 3_666
F110 K2 F77 58.05(4) . 3_666
F76 K2 F77 96.58(3) . 3_666
O103 K2 C42 103.06(5) . .
O43 K2 C42 20.28(5) . .
O73 K2 C42 102.95(5) . .
F50 K2 C42 42.83(4) . .
F76 K2 C42 103.26(5) 3_666 .
F47 K2 C42 42.42(4) . .
F81 K2 C42 93.00(5) . .
F110 K2 C42 103.97(5) . .
F76 K2 C42 141.57(5) . .
F77 K2 C42 93.98(4) 3_666 .
O103 K2 K4 41.88(4) . .
O43 K2 K4 89.19(3) . .
O73 K2 K4 44.57(3) . .
F50 K2 K4 139.39(3) . .
F76 K2 K4 142.59(3) 3_666 .
F47 K2 K4 130.20(3) . .
F81 K2 K4 103.53(3) . .
F110 K2 K4 95.78(3) . .
F76 K2 K4 77.85(3) . .
F77 K2 K4 149.12(3) 3_666 .
C42 K2 K4 109.33(4) . .
C36 C31 C32 122.0(3) . .
C36 C31 H31 119 . .
C32 C31 H31 119 . .
C33 C32 C31 119.8(4) . .
C33 C32 H32 120.1 . .
C31 C32 H32 120.1 . .
C34 C33 C32 119.0(4) . .
C34 C33 H33 120.5 . .
C32 C33 H33 120.5 . .
C33 C34 C35 121.5(4) . .
C33 C34 H34 119.2 . .
C35 C34 H34 119.2 . .
C36 C35 C34 120.2(3) . .
C36 C35 H35 119.9 . .
C34 C35 H35 119.9 . .
C31 C36 C35 117.4(3) . .
C31 C36 C37 121.0(3) . .
C35 C36 C37 121.5(3) . .
C36 C37 C38 111.0(2) . .
C36 C37 H37A 109.4 . .
C38 C37 H37A 109.4 . .
C36 C37 H37B 109.4 . .
C38 C37 H37B 109.4 . .
H37A C37 H37B 108 . .
N39 C38 C37 114.2(2) . .
N39 C38 H38A 108.7 . .
C37 C38 H38A 108.7 . .
N39 C38 H38B 108.7 . .
C37 C38 H38B 108.7 . .
H38A C38 H38B 107.6 . .
C38 N39 C40 111.60(19) . .
C38 N39 C41 111.52(19) . .
C40 N39 C41 111.6(2) . .
N39 C40 H40A 109.5 . .
N39 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
N39 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
N39 C41 C42 119.09(18) . .
N39 C41 H41A 107.5 . .
C42 C41 H41A 107.5 . .
N39 C41 H41B 107.5 . .
C42 C41 H41B 107.5 . .
H41A C41 H41B 107 . .
O43 C42 C44 108.66(17) . .
O43 C42 C48 110.21(18) . .
C44 C42 C48 108.26(18) . .
O43 C42 C41 109.28(17) . .
C44 C42 C41 110.42(19) . .
C48 C42 C41 110.00(18) . .
C44 C42 K2 86.12(12) . .
C48 C42 K2 83.88(12) . .
C41 C42 K2 152.39(14) . .
C42 O43 K2 116.51(12) . .
C42 O43 K3 134.01(13) . .
K2 O43 K3 92.97(5) . .
C42 O43 K1 119.50(12) . .
K2 O43 K1 92.14(5) . .
K3 O43 K1 91.73(5) . .
F45 C44 F46 105.57(18) . .
F45 C44 F47 105.66(18) . .
F46 C44 F47 105.68(18) . .
F45 C44 C42 110.40(18) . .
F46 C44 C42 116.44(19) . .
F47 C44 C42 112.33(18) . .
C44 F45 K1 116.46(12) . .
C44 F47 K2 112.78(12) . .
F51 C48 F49 106.86(18) . .
F51 C48 F50 105.69(19) . .
F49 C48 F50 105.39(19) . .
F51 C48 C42 115.72(19) . .
F49 C48 C42 110.53(19) . .
F50 C48 C42 111.98(18) . .
C48 F50 K2 118.91(12) . .
O13 K3 O73 92.32(4) . .
O13 K3 O43 87.05(5) . .
O73 K3 O43 86.67(5) . .
O13 K3 F79 152.12(4) . .
O73 K3 F79 60.00(4) . .
O43 K3 F79 87.96(4) . .
O13 K3 N69 111.07(5) . .
O73 K3 N69 60.98(5) . .
O43 K3 N69 142.49(5) . .
F79 K3 N69 60.42(4) . .
O13 K3 C66 125.24(6) . .
O73 K3 C66 113.17(5) . .
O43 K3 C66 139.00(6) . .
F79 K3 C66 73.81(5) . .
N69 K3 C66 54.79(5) . .
O13 K3 C72 110.35(5) . .
O73 K3 C72 21.08(5) . .
O43 K3 C72 98.27(5) . .
F79 K3 C72 43.53(4) . .
N69 K3 C72 45.20(5) . .
C66 K3 C72 93.18(6) . .
O13 K3 K4 47.35(3) . .
O73 K3 K4 45.30(3) . .
O43 K3 K4 89.85(3) . .
F79 K3 K4 105.26(3) . .
N69 K3 K4 80.64(4) . .
C66 K3 K4 129.98(5) . .
C72 K3 K4 63.19(4) . .
O13 K3 K2 88.58(3) . .
O73 K3 K2 43.41(3) . .
O43 K3 K2 43.28(3) . .
F79 K3 K2 69.34(3) . .
N69 K3 K2 102.59(3) . .
C66 K3 K2 143.04(5) . .
C72 K3 K2 57.55(4) . .
K4 K3 K2 60.198(12) . .
O13 K3 K1 42.52(3) . .
O73 K3 K1 90.20(3) . .
O43 K3 K1 44.55(3) . .
F79 K3 K1 127.11(3) . .
N69 K3 K1 142.80(4) . .
C66 K3 K1 155.56(4) . .
C72 K3 K1 110.79(4) . .
K4 K3 K1 62.160(13) . .
K2 K3 K1 59.996(12) . .
C66 C61 C62 121.5(2) . .
C66 C61 H61 119.2 . .
C62 C61 H61 119.2 . .
C63 C62 C61 119.7(3) . .
C63 C62 H62 120.2 . .
C61 C62 H62 120.2 . .
C64 C63 C62 119.6(3) . .
C64 C63 H63 120.2 . .
C62 C63 H63 120.2 . .
C65 C64 C63 120.1(3) . .
C65 C64 H64 120 . .
C63 C64 H64 120 . .
C64 C65 C66 121.4(3) . .
C64 C65 H65 119.3 . .
C66 C65 H65 119.3 . .
C61 C66 C65 117.8(3) . .
C61 C66 C67 120.0(2) . .
C65 C66 C67 122.2(2) . .
C61 C66 K3 79.95(15) . .
C65 C66 K3 76.34(14) . .
C67 C66 K3 113.78(14) . .
C66 C67 C68 114.6(2) . .
C66 C67 H67A 108.6 . .
C68 C67 H67A 108.6 . .
C66 C67 H67B 108.6 . .
C68 C67 H67B 108.6 . .
H67A C67 H67B 107.6 . .
N69 C68 C67 115.2(2) . .
N69 C68 H68A 108.5 . .
C67 C68 H68A 108.5 . .
N69 C68 H68B 108.5 . .
C67 C68 H68B 108.5 . .
H68A C68 H68B 107.5 . .
C68 N69 C70 111.17(19) . .
C68 N69 C71 110.59(18) . .
C70 N69 C71 109.54(18) . .
C68 N69 K3 120.34(14) . .
C70 N69 K3 96.66(13) . .
C71 N69 K3 107.51(12) . .
N69 C70 H70A 109.5 . .
N69 C70 H70B 109.5 . .
H70A C70 H70B 109.5 . .
N69 C70 H70C 109.5 . .
H70A C70 H70C 109.5 . .
H70B C70 H70C 109.5 . .
N69 C71 C72 113.58(18) . .
N69 C71 H71A 108.8 . .
C72 C71 H71A 108.8 . .
N69 C71 H71B 108.8 . .
C72 C71 H71B 108.8 . .
H71A C71 H71B 107.7 . .
O73 C72 C74 109.39(17) . .
O73 C72 C78 110.45(18) . .
C74 C72 C78 106.46(17) . .
O73 C72 C71 114.36(17) . .
C74 C72 C71 105.75(17) . .
C78 C72 C71 110.04(18) . .
O73 C72 K3 45.64(9) . .
C74 C72 K3 154.78(14) . .
C78 C72 K3 84.17(11) . .
C71 C72 K3 91.26(11) . .
C72 O73 K3 113.28(12) . .
C72 O73 K2 120.12(12) . .
K3 O73 K2 93.30(5) . .
C72 O73 K4 137.37(13) . .
K3 O73 K4 90.32(4) . .
K2 O73 K4 91.63(4) . .
F75 C74 F77 106.41(18) . .
F75 C74 F76 105.68(18) . .
F77 C74 F76 105.33(17) . .
F75 C74 C72 111.12(18) . .
F77 C74 C72 115.07(19) . .
F76 C74 C72 112.57(18) . .
C74 F76 K2 115.01(12) . 3_666
C74 F76 K2 113.09(11) . .
K2 F76 K2 114.85(4) 3_666 .
C74 F77 K2 99.26(12) . 3_666
F80 C78 F79 105.78(17) . .
F80 C78 F81 106.02(17) . .
F79 C78 F81 105.28(18) . .
F80 C78 C72 115.28(19) . .
F79 C78 C72 111.37(17) . .
F81 C78 C72 112.39(18) . .
C78 F79 K3 117.91(12) . .
C78 F81 K2 107.07(11) . .
O103 K4 O73 85.69(5) . .
O103 K4 O13 85.44(5) . .
O73 K4 O13 87.29(4) . .
O103 K4 F16 97.13(5) . .
O73 K4 F16 142.98(4) . .
O13 K4 F16 56.38(4) . .
O103 K4 F105 57.46(4) . .
O73 K4 F105 142.82(5) . .
O13 K4 F105 93.87(4) . .
F16 K4 F105 56.48(4) . .
O103 K4 N99 60.47(5) . .
O73 K4 N99 103.26(5) . .
O13 K4 N99 142.81(5) . .
F16 K4 N99 110.22(5) . .
F105 K4 N99 56.49(5) . .
O103 K4 F21 135.42(4) . .
O73 K4 F21 105.35(4) . .
O13 K4 F21 53.05(4) . .
F16 K4 F21 48.96(4) . .
F105 K4 F21 104.84(4) . .
N99 K4 F21 148.06(5) . .
O103 K4 C96 112.32(6) . .
O73 K4 C96 123.78(5) . .
O13 K4 C96 143.90(6) . .
F16 K4 C96 89.35(5) . .
F105 K4 C96 72.71(5) . .
N99 K4 C96 54.36(6) . .
F21 K4 C96 97.20(5) . .
O103 K4 C102 19.67(5) . .
O73 K4 C102 101.12(5) . .
O13 K4 C102 98.26(5) . .
F16 K4 C102 91.86(5) . .
F105 K4 C102 41.90(5) . .
N99 K4 C102 44.99(6) . .
F21 K4 C102 138.96(5) . .
C96 K4 C102 93.42(6) . .
O103 K4 K3 87.89(3) . .
O73 K4 K3 44.38(3) . .
O13 K4 K3 43.20(3) . .
F16 K4 K3 98.68(3) . .
F105 K4 K3 129.24(3) . .
N99 K4 K3 138.73(4) . .
F21 K4 K3 73.11(3) . .
C96 K4 K3 157.27(5) . .
C102 K4 K3 107.44(4) . .
O103 K4 K2 41.92(3) . .
O73 K4 K2 43.80(3) . .
O13 K4 K2 86.36(3) . .
F16 K4 K2 129.40(3) . .
F105 K4 K2 99.13(3) . .
N99 K4 K2 78.02(4) . .
F21 K4 K2 133.39(3) . .
C96 K4 K2 128.17(5) . .
C102 K4 K2 58.06(4) . .
K3 K4 K2 60.798(12) . .
O103 K4 K1 44.07(3) . .
O73 K4 K1 87.74(3) . .
O13 K4 K1 41.50(3) . .
F16 K4 K1 70.21(3) . .
F105 K4 K1 69.75(3) . .
N99 K4 K1 102.58(4) . .
F21 K4 K1 92.49(3) . .
C96 K4 K1 142.45(5) . .
C102 K4 K1 57.61(4) . .
K3 K4 K1 59.850(12) . .
K2 K4 K1 59.426(12) . .
C96 C91 C92 120.6(3) . .
C96 C91 H91 119.7 . .
C92 C91 H91 119.7 . .
C93 C92 C91 121.0(3) . .
C93 C92 H92 119.5 . .
C91 C92 H92 119.5 . .
C94 C93 C92 119.0(3) . .
C94 C93 H93 120.5 . .
C92 C93 H93 120.5 . .
C93 C94 C95 120.3(3) . .
C93 C94 H94 119.8 . .
C95 C94 H94 119.8 . .
C94 C95 C96 121.6(3) . .
C94 C95 H95 119.2 . .
C96 C95 H95 119.2 . .
C91 C96 C95 117.4(3) . .
C91 C96 C97 121.7(3) . .
C95 C96 C97 120.8(3) . .
C91 C96 K4 74.22(15) . .
C95 C96 K4 82.94(16) . .
C97 C96 K4 114.14(16) . .
C96 C97 C98 115.2(2) . .
C96 C97 H97A 108.5 . .
C98 C97 H97A 108.5 . .
C96 C97 H97B 108.5 . .
C98 C97 H97B 108.5 . .
H97A C97 H97B 107.5 . .
N99 C98 C97 114.7(2) . .
N99 C98 H98A 108.6 . .
C97 C98 H98A 108.6 . .
N99 C98 H98B 108.6 . .
C97 C98 H98B 108.6 . .
H98A C98 H98B 107.6 . .
C101 N99 C100 109.3(2) . .
C101 N99 C98 111.4(2) . .
C100 N99 C98 110.3(2) . .
C101 N99 K4 106.73(13) . .
C100 N99 K4 99.67(15) . .
C98 N99 K4 118.64(15) . .
N99 C100 H10D 109.5 . .
N99 C100 H10E 109.5 . .
H10D C100 H10E 109.5 . .
N99 C100 H10F 109.5 . .
H10D C100 H10F 109.5 . .
H10E C100 H10F 109.5 . .
N99 C101 C102 114.9(2) . .
N99 C101 H10G 108.5 . .
C102 C101 H10G 108.5 . .
N99 C101 H10H 108.5 . .
C102 C101 H10H 108.5 . .
H10G C101 H10H 107.5 . .
O103 C102 C104 109.24(19) . .
O103 C102 C108 108.8(2) . .
C104 C102 C108 108.8(2) . .
O103 C102 C101 114.8(2) . .
C104 C102 C101 109.3(2) . .
C108 C102 C101 105.7(2) . .
C104 C102 K4 88.58(14) . .
C108 C102 K4 149.43(16) . .
C101 C102 K4 91.12(14) . .
C102 O103 K4 119.64(13) . .
C102 O103 K2 127.31(13) . .
K4 O103 K2 96.20(5) . .
C102 O103 K1 118.29(13) . .
K4 O103 K1 95.48(5) . .
K2 O103 K1 92.58(5) . .
F106 C104 F105 106.2(2) . .
F106 C104 F107 106.2(2) . .
F105 C104 F107 105.6(2) . .
F106 C104 C102 114.3(2) . .
F105 C104 C102 111.1(2) . .
F107 C104 C102 112.8(2) . .
C104 F105 K4 111.20(14) . .
C104 F107 K1 114.84(13) . .
F109 C108 F111 106.3(2) . .
F109 C108 F110 106.2(2) . .
F111 C108 F110 105.2(2) . .
F109 C108 C102 114.9(2) . .
F111 C108 C102 113.3(2) . .
F110 C108 C102 110.2(2) . .
C108 F110 K2 109.78(13) . .
C108 F111 K1 112.14(13) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
K1 O13 2.6600(16) .
K1 O43 2.7493(15) .
K1 O103 2.7989(15) .
K1 F45 2.8507(15) .
K1 F17 2.8804(16) .
K1 F107 2.9548(17) .
K1 N9 3.174(2) .
K1 F111 3.2131(16) .
K1 C12 3.448(2) .
K1 K2 3.9145(7) .
K1 K3 3.9175(7) .
K1 K4 4.0060(7) .
C1 C6 1.370(4) .
C1 C2 1.417(5) .
C1 H1 0.95 .
C2 C3 1.376(4) .
C2 H2 0.95 .
C3 C4 1.362(4) .
C3 H3 0.95 .
C4 C5 1.371(4) .
C4 H4 0.95 .
C5 C6 1.385(4) .
C5 H5 0.95 .
C6 C7 1.507(4) .
C7 C8 1.529(4) .
C7 H7A 0.99 .
C7 H7B 0.99 .
C8 N9 1.482(3) .
C8 H8A 0.99 .
C8 H8B 0.99 .
N9 C10 1.458(3) .
N9 C11 1.467(3) .
C10 H10A 0.98 .
C10 H10B 0.98 .
C10 H10C 0.98 .
C11 C12 1.554(3) .
C11 H11A 0.99 .
C11 H11B 0.99 .
C12 O13 1.354(2) .
C12 C14 1.536(3) .
C12 C18 1.549(3) .
O13 K3 2.6301(15) .
O13 K4 2.8254(15) .
C14 F15 1.342(3) .
C14 F16 1.344(3) .
C14 F17 1.347(3) .
F16 K4 3.0641(15) .
C18 F19 1.339(3) .
C18 F21 1.343(3) .
C18 F20 1.347(3) .
F21 K4 3.3244(16) .
K2 O103 2.6136(15) .
K2 O43 2.6856(15) .
K2 O73 2.6927(15) .
K2 F50 2.8312(14) .
K2 F76 2.9632(14) 3_666
K2 F47 2.9987(15) .
K2 F81 3.0715(15) .
K2 F110 3.1232(16) .
K2 F76 3.1711(14) .
K2 F77 3.2792(16) 3_666
K2 C42 3.510(2) .
K2 K4 3.8888(7) .
C31 C36 1.372(4) .
C31 C32 1.380(5) .
C31 H31 0.95 .
C32 C33 1.372(5) .
C32 H32 0.95 .
C33 C34 1.344(6) .
C33 H33 0.95 .
C34 C35 1.395(5) .
C34 H34 0.95 .
C35 C36 1.375(4) .
C35 H35 0.95 .
C36 C37 1.505(4) .
C37 C38 1.530(3) .
C37 H37A 0.99 .
C37 H37B 0.99 .
C38 N39 1.458(3) .
C38 H38A 0.99 .
C38 H38B 0.99 .
N39 C40 1.460(3) .
N39 C41 1.475(3) .
C40 H40A 0.98 .
C40 H40B 0.98 .
C40 H40C 0.98 .
C41 C42 1.556(3) .
C41 H41A 0.99 .
C41 H41B 0.99 .
C42 O43 1.359(2) .
C42 C44 1.538(3) .
C42 C48 1.541(3) .
O43 K3 2.7087(15) .
C44 F45 1.347(3) .
C44 F46 1.350(3) .
C44 F47 1.351(2) .
C48 F51 1.337(3) .
C48 F49 1.349(3) .
C48 F50 1.351(3) .
K3 O73 2.6869(14) .
K3 F79 2.8062(13) .
K3 N69 3.1033(19) .
K3 C66 3.413(2) .
K3 C72 3.452(2) .
K3 K4 3.8415(7) .
C61 C66 1.388(3) .
C61 C62 1.392(4) .
C61 H61 0.95 .
C62 C63 1.390(4) .
C62 H62 0.95 .
C63 C64 1.386(4) .
C63 H63 0.95 .
C64 C65 1.385(4) .
C64 H64 0.95 .
C65 C66 1.395(4) .
C65 H65 0.95 .
C66 C67 1.513(4) .
C67 C68 1.515(3) .
C67 H67A 0.99 .
C67 H67B 0.99 .
C68 N69 1.463(3) .
C68 H68A 0.99 .
C68 H68B 0.99 .
N69 C70 1.465(3) .
N69 C71 1.478(3) .
C70 H70A 0.98 .
C70 H70B 0.98 .
C70 H70C 0.98 .
C71 C72 1.557(3) .
C71 H71A 0.99 .
C71 H71B 0.99 .
C72 O73 1.352(2) .
C72 C74 1.548(3) .
C72 C78 1.550(3) .
O73 K4 2.7304(15) .
C74 F75 1.343(3) .
C74 F77 1.349(2) .
C74 F76 1.352(3) .
F76 K2 2.9634(14) 3_666
F77 K2 3.2792(16) 3_666
C78 F80 1.343(2) .
C78 F79 1.348(2) .
C78 F81 1.352(3) .
K4 O103 2.6112(16) .
K4 F105 3.0760(17) .
K4 N99 3.159(2) .
K4 C96 3.449(2) .
K4 C102 3.481(2) .
C91 C96 1.384(3) .
C91 C92 1.395(4) .
C91 H91 0.95 .
C92 C93 1.372(4) .
C92 H92 0.95 .
C93 C94 1.366(4) .
C93 H93 0.95 .
C94 C95 1.388(4) .
C94 H94 0.95 .
C95 C96 1.388(4) .
C95 H95 0.95 .
C96 C97 1.507(4) .
C97 C98 1.525(4) .
C97 H97A 0.99 .
C97 H97B 0.99 .
C98 N99 1.473(3) .
C98 H98A 0.99 .
C98 H98B 0.99 .
N99 C101 1.465(3) .
N99 C100 1.469(3) .
C100 H10D 0.98 .
C100 H10E 0.98 .
C100 H10F 0.98 .
C101 C102 1.569(3) .
C101 H10G 0.99 .
C101 H10H 0.99 .
C102 O103 1.348(3) .
C102 C104 1.540(4) .
C102 C108 1.541(4) .
C104 F106 1.336(3) .
C104 F105 1.337(3) .
C104 F107 1.350(3) .
C108 F109 1.345(3) .
C108 F111 1.348(3) .
C108 F110 1.353(3) .
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
C6 C1 C2 C3 -1.1(4) . . . .
C1 C2 C3 C4 0.3(4) . . . .
C2 C3 C4 C5 0.4(4) . . . .
C3 C4 C5 C6 -0.3(4) . . . .
C2 C1 C6 C5 1.2(4) . . . .
C2 C1 C6 C7 -180.0(2) . . . .
C4 C5 C6 C1 -0.5(4) . . . .
C4 C5 C6 C7 -179.3(2) . . . .
C1 C6 C7 C8 53.7(4) . . . .
C5 C6 C7 C8 -127.5(3) . . . .
C6 C7 C8 N9 52.4(4) . . . .
C7 C8 N9 C10 57.8(4) . . . .
C7 C8 N9 C11 178.8(3) . . . .
C7 C8 N9 K1 -58.9(3) . . . .
O13 K1 N9 C10 104.89(16) . . . .
O43 K1 N9 C10 28.03(16) . . . .
O103 K1 N9 C10 128.36(15) . . . .
F45 K1 N9 C10 -33.31(16) . . . .
F17 K1 N9 C10 176.13(17) . . . .
F107 K1 N9 C10 -164.26(15) . . . .
F111 K1 N9 C10 -114.77(17) . . . .
C12 K1 N9 C10 122.19(18) . . . .
K2 K1 N9 C10 58.94(17) . . . .
K3 K1 N9 C10 64.44(15) . . . .
K4 K1 N9 C10 117.30(15) . . . .
O13 K1 N9 C11 -8.52(14) . . . .
O43 K1 N9 C11 -85.39(15) . . . .
O103 K1 N9 C11 14.94(19) . . . .
F45 K1 N9 C11 -146.72(14) . . . .
F17 K1 N9 C11 62.72(14) . . . .
F107 K1 N9 C11 82.33(15) . . . .
F111 K1 N9 C11 131.81(15) . . . .
C12 K1 N9 C11 8.77(14) . . . .
K2 K1 N9 C11 -54.47(17) . . . .
K3 K1 N9 C11 -48.98(14) . . . .
K4 K1 N9 C11 3.88(15) . . . .
O13 K1 N9 C8 -132.56(19) . . . .
O43 K1 N9 C8 150.57(18) . . . .
O103 K1 N9 C8 -109.10(18) . . . .
F45 K1 N9 C8 89.24(18) . . . .
F17 K1 N9 C8 -61.32(18) . . . .
F107 K1 N9 C8 -41.72(19) . . . .
F111 K1 N9 C8 7.8(2) . . . .
C12 K1 N9 C8 -115.3(2) . . . .
K2 K1 N9 C8 -178.51(16) . . . .
K3 K1 N9 C8 -173.02(19) . . . .
K4 K1 N9 C8 -120.16(18) . . . .
C10 N9 C11 C12 -121.5(2) . . . .
C8 N9 C11 C12 116.4(2) . . . .
K1 N9 C11 C12 -15.4(2) . . . .
N9 C11 C12 O13 53.1(3) . . . .
N9 C11 C12 C14 -71.3(3) . . . .
N9 C11 C12 C18 173.2(2) . . . .
N9 C11 C12 K1 13.7(2) . . . .
O43 K1 C12 O13 -36.15(15) . . . .
O103 K1 C12 O13 50.37(14) . . . .
F45 K1 C12 O13 -84.72(16) . . . .
F17 K1 C12 O13 139.29(17) . . . .
F107 K1 C12 O13 108.85(14) . . . .
N9 K1 C12 O13 -133.32(17) . . . .
F111 K1 C12 O13 89.51(16) . . . .
K2 K1 C12 O13 8.49(15) . . . .
K3 K1 C12 O13 -27.34(12) . . . .
K4 K1 C12 O13 41.15(13) . . . .
O13 K1 C12 C14 -125.1(2) . . . .
O43 K1 C12 C14 -161.27(12) . . . .
O103 K1 C12 C14 -74.75(13) . . . .
F45 K1 C12 C14 150.15(12) . . . .
F17 K1 C12 C14 14.16(11) . . . .
F107 K1 C12 C14 -16.28(13) . . . .
N9 K1 C12 C14 101.55(14) . . . .
F111 K1 C12 C14 -35.62(16) . . . .
K2 K1 C12 C14 -116.63(12) . . . .
K3 K1 C12 C14 -152.46(14) . . . .
K4 K1 C12 C14 -83.98(13) . . . .
O13 K1 C12 C18 -4.5(3) . . . .
O43 K1 C12 C18 -40.6(4) . . . .
O103 K1 C12 C18 45.9(4) . . . .
F45 K1 C12 C18 -89.2(4) . . . .
F17 K1 C12 C18 134.8(4) . . . .
F107 K1 C12 C18 104.4(4) . . . .
N9 K1 C12 C18 -137.8(4) . . . .
F111 K1 C12 C18 85.1(4) . . . .
K2 K1 C12 C18 4.0(4) . . . .
K3 K1 C12 C18 -31.8(3) . . . .
K4 K1 C12 C18 36.7(3) . . . .
O13 K1 C12 C11 125.3(2) . . . .
O43 K1 C12 C11 89.19(13) . . . .
O103 K1 C12 C11 175.70(13) . . . .
F45 K1 C12 C11 40.61(18) . . . .
F17 K1 C12 C11 -95.38(14) . . . .
F107 K1 C12 C11 -125.82(13) . . . .
N9 K1 C12 C11 -7.99(12) . . . .
F111 K1 C12 C11 -145.16(12) . . . .
K2 K1 C12 C11 133.83(13) . . . .
K3 K1 C12 C11 98.00(14) . . . .
K4 K1 C12 C11 166.48(15) . . . .
C14 C12 O13 K3 -174.83(14) . . . .
C18 C12 O13 K3 -56.8(2) . . . .
C11 C12 O13 K3 60.7(3) . . . .
K1 C12 O13 K3 125.3(2) . . . .
C14 C12 O13 K1 59.9(2) . . . .
C18 C12 O13 K1 177.93(14) . . . .
C11 C12 O13 K1 -64.6(2) . . . .
C14 C12 O13 K4 -51.1(2) . . . .
C18 C12 O13 K4 67.0(2) . . . .
C11 C12 O13 K4 -175.48(14) . . . .
K1 C12 O13 K4 -110.91(15) . . . .
O43 K1 O13 C12 144.76(14) . . . .
O103 K1 O13 C12 -130.15(14) . . . .
F45 K1 O13 C12 124.35(14) . . . .
F17 K1 O13 C12 -30.88(13) . . . .
F107 K1 O13 C12 -74.22(14) . . . .
N9 K1 O13 C12 36.15(14) . . . .
F111 K1 O13 C12 -116.17(14) . . . .
K2 K1 O13 C12 -171.96(14) . . . .
K3 K1 O13 C12 143.55(16) . . . .
K4 K1 O13 C12 -126.64(16) . . . .
O43 K1 O13 K3 1.21(5) . . . .
O103 K1 O13 K3 86.30(5) . . . .
F45 K1 O13 K3 -19.20(9) . . . .
F17 K1 O13 K3 -174.43(6) . . . .
F107 K1 O13 K3 142.23(4) . . . .
N9 K1 O13 K3 -107.40(6) . . . .
F111 K1 O13 K3 100.28(7) . . . .
C12 K1 O13 K3 -143.55(16) . . . .
K2 K1 O13 K3 44.49(4) . . . .
K4 K1 O13 K3 89.81(5) . . . .
O43 K1 O13 K4 -88.61(4) . . . .
O103 K1 O13 K4 -3.51(4) . . . .
F45 K1 O13 K4 -109.01(7) . . . .
F17 K1 O13 K4 95.76(5) . . . .
F107 K1 O13 K4 52.42(5) . . . .
N9 K1 O13 K4 162.78(7) . . . .
F111 K1 O13 K4 10.47(8) . . . .
C12 K1 O13 K4 126.64(15) . . . .
K2 K1 O13 K4 -45.32(3) . . . .
K3 K1 O13 K4 -89.81(5) . . . .
O13 C12 C14 F15 -179.6(2) . . . .
C18 C12 C14 F15 61.5(3) . . . .
C11 C12 C14 F15 -51.8(3) . . . .
K1 C12 C14 F15 -142.0(2) . . . .
O13 C12 C14 F16 57.7(3) . . . .
C18 C12 C14 F16 -61.2(2) . . . .
C11 C12 C14 F16 -174.53(19) . . . .
K1 C12 C14 F16 95.33(18) . . . .
O13 C12 C14 F17 -60.1(2) . . . .
C18 C12 C14 F17 -179.08(18) . . . .
C11 C12 C14 F17 67.6(2) . . . .
K1 C12 C14 F17 -22.53(17) . . . .
F15 C14 F16 K4 -164.03(14) . . . .
F17 C14 F16 K4 84.71(18) . . . .
C12 C14 F16 K4 -36.6(2) . . . .
F15 C14 F17 K1 155.25(14) . . . .
F16 C14 F17 K1 -92.41(17) . . . .
C12 C14 F17 K1 30.0(2) . . . .
O13 K1 F17 C14 -2.10(15) . . . .
O43 K1 F17 C14 -9.81(19) . . . .
O103 K1 F17 C14 78.98(15) . . . .
F45 K1 F17 C14 -148.95(15) . . . .
F107 K1 F17 C14 126.22(16) . . . .
N9 K1 F17 C14 -74.86(15) . . . .
F111 K1 F17 C14 133.60(15) . . . .
C12 K1 F17 C14 -17.70(15) . . . .
K2 K1 F17 C14 54.42(16) . . . .
K3 K1 F17 C14 -5.90(16) . . . .
K4 K1 F17 C14 44.97(15) . . . .
O13 C12 C18 F19 62.3(2) . . . .
C14 C12 C18 F19 -178.55(18) . . . .
C11 C12 C18 F19 -61.9(2) . . . .
K1 C12 C18 F19 65.6(4) . . . .
O13 C12 C18 F21 -56.0(3) . . . .
C14 C12 C18 F21 63.2(2) . . . .
C11 C12 C18 F21 179.8(2) . . . .
K1 C12 C18 F21 -52.7(4) . . . .
O13 C12 C18 F20 -177.4(2) . . . .
C14 C12 C18 F20 -58.3(3) . . . .
C11 C12 C18 F20 58.4(3) . . . .
K1 C12 C18 F20 -174.1(2) . . . .
F19 C18 F21 K4 -97.98(17) . . . .
F20 C18 F21 K4 149.63(14) . . . .
C12 C18 F21 K4 23.2(2) . . . .
C36 C31 C32 C33 0.1(6) . . . .
C31 C32 C33 C34 1.0(6) . . . .
C32 C33 C34 C35 -1.2(7) . . . .
C33 C34 C35 C36 0.3(6) . . . .
C32 C31 C36 C35 -1.0(5) . . . .
C32 C31 C36 C37 175.9(3) . . . .
C34 C35 C36 C31 0.8(5) . . . .
C34 C35 C36 C37 -176.1(3) . . . .
C31 C36 C37 C38 -72.9(3) . . . .
C35 C36 C37 C38 103.9(3) . . . .
C36 C37 C38 N39 170.8(2) . . . .
C37 C38 N39 C40 71.2(3) . . . .
C37 C38 N39 C41 -163.2(2) . . . .
C38 N39 C41 C42 112.6(2) . . . .
C40 N39 C41 C42 -121.8(2) . . . .
N39 C41 C42 O43 177.56(19) . . . .
N39 C41 C42 C44 -63.0(3) . . . .
N39 C41 C42 C48 56.4(3) . . . .
N39 C41 C42 K2 173.3(2) . . . .
O103 K2 C42 O43 50.18(14) . . . .
O73 K2 C42 O43 -39.10(14) . . . .
F50 K2 C42 O43 -136.66(17) . . . .
F76 K2 C42 O43 -154.38(13) 3_666 . . .
F47 K2 C42 O43 136.03(16) . . . .
F81 K2 C42 O43 -98.50(14) . . . .
F110 K2 C42 O43 108.33(14) . . . .
F76 K2 C42 O43 -87.81(15) . . . .
F77 K2 C42 O43 166.38(13) 3_666 . . .
K4 K2 C42 O43 6.96(14) . . . .
O103 K2 C42 C44 -72.54(12) . . . .
O43 K2 C42 C44 -122.7(2) . . . .
O73 K2 C42 C44 -161.83(11) . . . .
F50 K2 C42 C44 100.62(13) . . . .
F76 K2 C42 C44 82.89(12) 3_666 . . .
F47 K2 C42 C44 13.30(10) . . . .
F81 K2 C42 C44 138.77(12) . . . .
F110 K2 C42 C44 -14.39(12) . . . .
F76 K2 C42 C44 149.46(11) . . . .
F77 K2 C42 C44 43.65(12) 3_666 . . .
K4 K2 C42 C44 -115.77(11) . . . .
O103 K2 C42 C48 178.61(12) . . . .
O43 K2 C42 C48 128.4(2) . . . .
O73 K2 C42 C48 89.32(13) . . . .
F50 K2 C42 C48 -8.23(11) . . . .
F76 K2 C42 C48 -25.96(13) 3_666 . . .
F47 K2 C42 C48 -95.55(14) . . . .
F81 K2 C42 C48 29.92(13) . . . .
F110 K2 C42 C48 -123.24(12) . . . .
F76 K2 C42 C48 40.61(16) . . . .
F77 K2 C42 C48 -65.20(13) 3_666 . . .
K4 K2 C42 C48 135.38(12) . . . .
O103 K2 C42 C41 56.1(3) . . . .
O43 K2 C42 C41 5.9(3) . . . .
O73 K2 C42 C41 -33.2(3) . . . .
F50 K2 C42 C41 -130.7(3) . . . .
F76 K2 C42 C41 -148.4(3) 3_666 . . .
F47 K2 C42 C41 142.0(3) . . . .
F81 K2 C42 C41 -92.6(3) . . . .
F110 K2 C42 C41 114.3(3) . . . .
F76 K2 C42 C41 -81.9(3) . . . .
F77 K2 C42 C41 172.3(3) 3_666 . . .
K4 K2 C42 C41 12.9(3) . . . .
C44 C42 O43 K2 62.36(18) . . . .
C48 C42 O43 K2 -56.1(2) . . . .
C41 C42 O43 K2 -177.09(13) . . . .
C44 C42 O43 K3 -173.42(12) . . . .
C48 C42 O43 K3 68.1(2) . . . .
C41 C42 O43 K3 -52.9(2) . . . .
K2 C42 O43 K3 124.22(19) . . . .
C44 C42 O43 K1 -46.91(19) . . . .
C48 C42 O43 K1 -165.38(13) . . . .
C41 C42 O43 K1 73.63(19) . . . .
K2 C42 O43 K1 -109.28(14) . . . .
O103 K2 O43 C42 -131.56(14) . . . .
O73 K2 O43 C42 142.01(14) . . . .
F50 K2 O43 C42 33.02(13) . . . .
F76 K2 O43 C42 29.50(15) 3_666 . . .
F47 K2 O43 C42 -33.37(13) . . . .
F81 K2 O43 C42 83.05(14) . . . .
F110 K2 O43 C42 -77.59(14) . . . .
F76 K2 O43 C42 115.31(14) . . . .
F77 K2 O43 C42 -14.86(15) 3_666 . . .
K4 K2 O43 C42 -173.44(13) . . . .
O103 K2 O43 K3 84.99(5) . . . .
O73 K2 O43 K3 -1.44(4) . . . .
F50 K2 O43 K3 -110.43(6) . . . .
F76 K2 O43 K3 -113.95(5) 3_666 . . .
F47 K2 O43 K3 -176.82(6) . . . .
F81 K2 O43 K3 -60.40(4) . . . .
F110 K2 O43 K3 138.95(4) . . . .
F76 K2 O43 K3 -28.14(8) . . . .
F77 K2 O43 K3 -158.32(4) 3_666 . . .
C42 K2 O43 K3 -143.45(15) . . . .
K4 K2 O43 K3 43.11(4) . . . .
O103 K2 O43 K1 -6.86(5) . . . .
O73 K2 O43 K1 -93.29(4) . . . .
F50 K2 O43 K1 157.72(6) . . . .
F76 K2 O43 K1 154.20(4) 3_666 . . .
F47 K2 O43 K1 91.33(5) . . . .
F81 K2 O43 K1 -152.25(4) . . . .
F110 K2 O43 K1 47.11(5) . . . .
F76 K2 O43 K1 -119.99(5) . . . .
F77 K2 O43 K1 109.84(4) 3_666 . . .
C42 K2 O43 K1 124.70(15) . . . .
K4 K2 O43 K1 -48.74(3) . . . .
O13 K1 O43 C42 -145.83(14) . . . .
O103 K1 O43 C42 128.73(14) . . . .
F45 K1 O43 C42 19.45(13) . . . .
F17 K1 O43 C42 -139.13(13) . . . .
F107 K1 O43 C42 110.88(14) . . . .
N9 K1 O43 C42 -87.10(14) . . . .
F111 K1 O43 C42 75.71(14) . . . .
C12 K1 O43 C42 -133.62(14) . . . .
K2 K1 O43 C42 122.30(15) . . . .
K3 K1 O43 C42 -144.67(15) . . . .
K4 K1 O43 C42 169.31(13) . . . .
O13 K1 O43 K2 91.87(5) . . . .
O103 K1 O43 K2 6.43(4) . . . .
F45 K1 O43 K2 -102.85(5) . . . .
F17 K1 O43 K2 98.57(8) . . . .
F107 K1 O43 K2 -11.42(9) . . . .
N9 K1 O43 K2 150.60(5) . . . .
F111 K1 O43 K2 -46.59(5) . . . .
C12 K1 O43 K2 104.09(5) . . . .
K3 K1 O43 K2 93.04(5) . . . .
K4 K1 O43 K2 47.01(3) . . . .
O13 K1 O43 K3 -1.17(4) . . . .
O103 K1 O43 K3 -86.60(5) . . . .
F45 K1 O43 K3 164.12(6) . . . .
F17 K1 O43 K3 5.53(10) . . . .
F107 K1 O43 K3 -104.46(7) . . . .
N9 K1 O43 K3 57.56(5) . . . .
F111 K1 O43 K3 -139.63(4) . . . .
C12 K1 O43 K3 11.05(5) . . . .
K2 K1 O43 K3 -93.04(5) . . . .
K4 K1 O43 K3 -46.02(3) . . . .
O43 C42 C44 F45 58.4(2) . . . .
C48 C42 C44 F45 178.04(17) . . . .
C41 C42 C44 F45 -61.5(2) . . . .
K2 C42 C44 F45 95.80(15) . . . .
O43 C42 C44 F46 178.66(17) . . . .
C48 C42 C44 F46 -61.6(2) . . . .
C41 C42 C44 F46 58.8(2) . . . .
K2 C42 C44 F46 -143.89(17) . . . .
O43 C42 C44 F47 -59.3(2) . . . .
C48 C42 C44 F47 60.4(2) . . . .
C41 C42 C44 F47 -179.14(18) . . . .
K2 C42 C44 F47 -21.86(16) . . . .
F46 C44 F45 K1 -168.91(11) . . . .
F47 C44 F45 K1 79.41(18) . . . .
C42 C44 F45 K1 -42.3(2) . . . .
O13 K1 F45 C44 38.64(17) . . . .
O43 K1 F45 C44 14.60(13) . . . .
O103 K1 F45 C44 -60.53(14) . . . .
F17 K1 F45 C44 168.91(13) . . . .
F107 K1 F45 C44 -121.29(14) . . . .
N9 K1 F45 C44 108.41(14) . . . .
F111 K1 F45 C44 -102.69(14) . . . .
C12 K1 F45 C44 73.60(17) . . . .
K2 K1 F45 C44 -29.05(13) . . . .
K3 K1 F45 C44 25.71(14) . . . .
K4 K1 F45 C44 -29.86(16) . . . .
F45 C44 F47 K2 -92.29(16) . . . .
F46 C44 F47 K2 156.10(12) . . . .
C42 C44 F47 K2 28.1(2) . . . .
O103 K2 F47 C44 85.42(14) . . . .
O43 K2 F47 C44 -0.05(13) . . . .
O73 K2 F47 C44 -8.14(17) . . . .
F50 K2 F47 C44 -71.71(13) . . . .
F76 K2 F47 C44 -130.42(14) 3_666 . . .
F81 K2 F47 C44 -80.70(14) . . . .
F110 K2 F47 C44 134.04(14) . . . .
F76 K2 F47 C44 -131.09(13) . . . .
F77 K2 F47 C44 -160.01(15) 3_666 . . .
C42 K2 F47 C44 -16.46(13) . . . .
K4 K2 F47 C44 57.12(14) . . . .
O43 C42 C48 F51 168.77(18) . . . .
C44 C42 C48 F51 50.1(3) . . . .
C41 C42 C48 F51 -70.7(3) . . . .
K2 C42 C48 F51 133.91(18) . . . .
O43 C42 C48 F49 -69.6(2) . . . .
C44 C42 C48 F49 171.67(18) . . . .
C41 C42 C48 F49 50.9(2) . . . .
K2 C42 C48 F49 -104.48(17) . . . .
O43 C42 C48 F50 47.6(3) . . . .
C44 C42 C48 F50 -71.1(2) . . . .
C41 C42 C48 F50 168.13(19) . . . .
K2 C42 C48 F50 12.71(17) . . . .
F51 C48 F50 K2 -144.87(13) . . . .
F49 C48 F50 K2 102.19(17) . . . .
C42 C48 F50 K2 -18.0(2) . . . .
O103 K2 F50 C48 22.5(2) . . . .
O43 K2 F50 C48 -5.44(15) . . . .
O73 K2 F50 C48 -82.77(16) . . . .
F76 K2 F50 C48 171.17(17) 3_666 . . .
F47 K2 F50 C48 65.29(15) . . . .
F81 K2 F50 C48 -124.05(17) . . . .
F110 K2 F50 C48 91.85(16) . . . .
F76 K2 F50 C48 -139.97(15) . . . .
F77 K2 F50 C48 128.76(16) 3_666 . . .
C42 K2 F50 C48 10.69(15) . . . .
K4 K2 F50 C48 -48.64(18) . . . .
C12 O13 K3 O73 140.53(18) . . . .
K1 O13 K3 O73 -87.77(5) . . . .
K4 O13 K3 O73 5.97(5) . . . .
C12 O13 K3 O43 -132.92(18) . . . .
K1 O13 K3 O43 -1.22(5) . . . .
K4 O13 K3 O43 92.51(4) . . . .
C12 O13 K3 F79 147.07(17) . . . .
K1 O13 K3 F79 -81.23(10) . . . .
K4 O13 K3 F79 12.51(12) . . . .
C12 O13 K3 N69 80.84(18) . . . .
K1 O13 K3 N69 -147.46(5) . . . .
K4 O13 K3 N69 -53.72(5) . . . .
C12 O13 K3 C66 19.8(2) . . . .
K1 O13 K3 C66 151.51(6) . . . .
K4 O13 K3 C66 -114.75(6) . . . .
C12 O13 K3 C72 129.35(18) . . . .
K1 O13 K3 C72 -98.95(5) . . . .
K4 O13 K3 C72 -5.21(6) . . . .
C12 O13 K3 K4 134.6(2) . . . .
K1 O13 K3 K4 -93.74(5) . . . .
C12 O13 K3 K2 -176.21(18) . . . .
K1 O13 K3 K2 -44.51(4) . . . .
K4 O13 K3 K2 49.22(3) . . . .
C12 O13 K3 K1 -131.7(2) . . . .
K4 O13 K3 K1 93.74(5) . . . .
C42 O43 K3 O13 136.76(17) . . . .
K2 O43 K3 O13 -91.06(5) . . . .
K1 O43 K3 O13 1.18(4) . . . .
C42 O43 K3 O73 -130.74(17) . . . .
K2 O43 K3 O73 1.44(4) . . . .
K1 O43 K3 O73 93.68(4) . . . .
C42 O43 K3 F79 -70.68(17) . . . .
K2 O43 K3 F79 61.50(4) . . . .
K1 O43 K3 F79 153.74(4) . . . .
C42 O43 K3 N69 -101.64(18) . . . .
K2 O43 K3 N69 30.54(9) . . . .
K1 O43 K3 N69 122.78(7) . . . .
C42 O43 K3 C66 -8.5(2) . . . .
K2 O43 K3 C66 123.72(8) . . . .
K1 O43 K3 C66 -144.05(7) . . . .
C42 O43 K3 C72 -113.09(17) . . . .
K2 O43 K3 C72 19.09(5) . . . .
K1 O43 K3 C72 111.33(5) . . . .
C42 O43 K3 K4 -175.96(17) . . . .
K2 O43 K3 K4 -43.77(4) . . . .
K1 O43 K3 K4 48.46(3) . . . .
C42 O43 K3 K2 -132.19(18) . . . .
K1 O43 K3 K2 92.23(5) . . . .
C42 O43 K3 K1 135.58(18) . . . .
K2 O43 K3 K1 -92.23(5) . . . .
O103 K2 K3 O13 -6.25(5) . . . .
O43 K2 K3 O13 87.21(6) . . . .
O73 K2 K3 O13 -94.88(6) . . . .
F50 K2 K3 O13 141.68(5) . . . .
F76 K2 K3 O13 -174.88(5) 3_666 . . .
F47 K2 K3 O13 89.98(5) . . . .
F81 K2 K3 O13 -156.67(4) . . . .
F110 K2 K3 O13 21.85(6) . . . .
F76 K2 K3 O13 -111.81(4) . . . .
F77 K2 K3 O13 132.30(7) 3_666 . . .
C42 K2 K3 O13 100.86(5) . . . .
K4 K2 K3 O13 -39.93(3) . . . .
O103 K2 K3 O73 88.64(6) . . . .
O43 K2 K3 O73 -177.91(7) . . . .
F50 K2 K3 O73 -123.44(5) . . . .
F76 K2 K3 O73 -79.99(6) 3_666 . . .
F47 K2 K3 O73 -175.13(5) . . . .
F81 K2 K3 O73 -61.78(5) . . . .
F110 K2 K3 O73 116.73(7) . . . .
F76 K2 K3 O73 -16.92(5) . . . .
F77 K2 K3 O73 -132.82(7) 3_666 . . .
C42 K2 K3 O73 -164.25(6) . . . .
K4 K2 K3 O73 54.96(4) . . . .
O103 K2 K3 O43 -93.46(6) . . . .
O73 K2 K3 O43 177.91(7) . . . .
F50 K2 K3 O43 54.47(5) . . . .
F76 K2 K3 O43 97.91(6) 3_666 . . .
F47 K2 K3 O43 2.77(5) . . . .
F81 K2 K3 O43 116.12(5) . . . .
F110 K2 K3 O43 -65.36(6) . . . .
F76 K2 K3 O43 160.98(5) . . . .
F77 K2 K3 O43 45.09(7) 3_666 . . .
C42 K2 K3 O43 13.65(6) . . . .
K4 K2 K3 O43 -127.14(5) . . . .
O103 K2 K3 F79 156.37(5) . . . .
O43 K2 K3 F79 -110.17(5) . . . .
O73 K2 K3 F79 67.73(5) . . . .
F50 K2 K3 F79 -55.71(4) . . . .
F76 K2 K3 F79 -12.26(5) 3_666 . . .
F47 K2 K3 F79 -107.40(4) . . . .
F81 K2 K3 F79 5.95(4) . . . .
F110 K2 K3 F79 -175.53(5) . . . .
F76 K2 K3 F79 50.81(4) . . . .
F77 K2 K3 F79 -65.09(6) 3_666 . . .
C42 K2 K3 F79 -96.52(5) . . . .
K4 K2 K3 F79 122.69(3) . . . .
O103 K2 K3 N69 105.03(5) . . . .
O43 K2 K3 N69 -161.51(6) . . . .
O73 K2 K3 N69 16.39(6) . . . .
F50 K2 K3 N69 -107.05(5) . . . .
F76 K2 K3 N69 -63.60(5) 3_666 . . .
F47 K2 K3 N69 -158.74(5) . . . .
F81 K2 K3 N69 -45.39(5) . . . .
F110 K2 K3 N69 133.13(6) . . . .
F76 K2 K3 N69 -0.53(5) . . . .
F77 K2 K3 N69 -116.43(7) 3_666 . . .
C42 K2 K3 N69 -147.86(6) . . . .
K4 K2 K3 N69 71.35(4) . . . .
O103 K2 K3 C66 151.73(8) . . . .
O43 K2 K3 C66 -114.81(9) . . . .
O73 K2 K3 C66 63.09(9) . . . .
F50 K2 K3 C66 -60.35(8) . . . .
F76 K2 K3 C66 -16.90(9) 3_666 . . .
F47 K2 K3 C66 -112.04(8) . . . .
F81 K2 K3 C66 1.31(8) . . . .
F110 K2 K3 C66 179.83(8) . . . .
F76 K2 K3 C66 46.17(8) . . . .
F77 K2 K3 C66 -69.73(10) 3_666 . . .
C42 K2 K3 C66 -101.16(9) . . . .
K4 K2 K3 C66 118.05(8) . . . .
O103 K2 K3 C72 109.10(6) . . . .
O43 K2 K3 C72 -157.44(6) . . . .
O73 K2 K3 C72 20.46(6) . . . .
F50 K2 K3 C72 -102.98(5) . . . .
F76 K2 K3 C72 -59.53(6) 3_666 . . .
F47 K2 K3 C72 -154.67(5) . . . .
F81 K2 K3 C72 -41.32(5) . . . .
F110 K2 K3 C72 137.19(7) . . . .
F76 K2 K3 C72 3.54(5) . . . .
F77 K2 K3 C72 -112.36(7) 3_666 . . .
C42 K2 K3 C72 -143.79(6) . . . .
K4 K2 K3 C72 75.42(5) . . . .
O103 K2 K3 K4 33.68(3) . . . .
O43 K2 K3 K4 127.14(5) . . . .
O73 K2 K3 K4 -54.96(4) . . . .
F50 K2 K3 K4 -178.39(3) . . . .
F76 K2 K3 K4 -134.95(4) 3_666 . . .
F47 K2 K3 K4 129.91(3) . . . .
F81 K2 K3 K4 -116.74(3) . . . .
F110 K2 K3 K4 61.78(5) . . . .
F76 K2 K3 K4 -71.88(3) . . . .
F77 K2 K3 K4 172.22(6) 3_666 . . .
C42 K2 K3 K4 140.79(4) . . . .
O103 K2 K3 K1 -39.42(4) . . . .
O43 K2 K3 K1 54.04(5) . . . .
O73 K2 K3 K1 -128.05(5) . . . .
F50 K2 K3 K1 108.51(3) . . . .
F76 K2 K3 K1 151.95(4) 3_666 . . .
F47 K2 K3 K1 56.81(3) . . . .
F81 K2 K3 K1 170.16(3) . . . .
F110 K2 K3 K1 -11.32(5) . . . .
F76 K2 K3 K1 -144.98(3) . . . .
F77 K2 K3 K1 99.12(6) 3_666 . . .
C42 K2 K3 K1 67.69(4) . . . .
K4 K2 K3 K1 -73.098(14) . . . .
O43 K1 K3 O13 -178.26(7) . . . .
O103 K1 K3 O13 -89.45(6) . . . .
F45 K1 K3 O13 167.98(6) . . . .
F17 K1 K3 O13 4.94(6) . . . .
F107 K1 K3 O13 -53.76(6) . . . .
N9 K1 K3 O13 58.19(6) . . . .
F111 K1 K3 O13 -122.31(6) . . . .
C12 K1 K3 O13 14.23(6) . . . .
K2 K1 K3 O13 -125.97(5) . . . .
K4 K1 K3 O13 -56.09(5) . . . .
O13 K1 K3 O73 93.21(6) . . . .
O43 K1 K3 O73 -85.05(5) . . . .
O103 K1 K3 O73 3.76(5) . . . .
F45 K1 K3 O73 -98.81(4) . . . .
F17 K1 K3 O73 98.15(5) . . . .
F107 K1 K3 O73 39.45(6) . . . .
N9 K1 K3 O73 151.40(5) . . . .
F111 K1 K3 O73 -29.10(5) . . . .
C12 K1 K3 O73 107.44(5) . . . .
K2 K1 K3 O73 -32.76(3) . . . .
K4 K1 K3 O73 37.12(3) . . . .
O13 K1 K3 O43 178.26(7) . . . .
O103 K1 K3 O43 88.81(5) . . . .
F45 K1 K3 O43 -13.76(5) . . . .
F17 K1 K3 O43 -176.80(6) . . . .
F107 K1 K3 O43 124.50(6) . . . .
N9 K1 K3 O43 -123.56(6) . . . .
F111 K1 K3 O43 55.95(6) . . . .
C12 K1 K3 O43 -167.51(6) . . . .
K2 K1 K3 O43 52.29(4) . . . .
K4 K1 K3 O43 122.16(5) . . . .
O13 K1 K3 F79 144.58(6) . . . .
O43 K1 K3 F79 -33.67(5) . . . .
O103 K1 K3 F79 55.14(5) . . . .
F45 K1 K3 F79 -47.44(5) . . . .
F17 K1 K3 F79 149.52(5) . . . .
F107 K1 K3 F79 90.82(6) . . . .
N9 K1 K3 F79 -157.23(5) . . . .
F111 K1 K3 F79 22.28(6) . . . .
C12 K1 K3 F79 158.81(6) . . . .
K2 K1 K3 F79 18.61(4) . . . .
K4 K1 K3 F79 88.49(4) . . . .
O13 K1 K3 N69 56.13(8) . . . .
O43 K1 K3 N69 -122.13(7) . . . .
O103 K1 K3 N69 -33.32(7) . . . .
F45 K1 K3 N69 -135.89(7) . . . .
F17 K1 K3 N69 61.07(7) . . . .
F107 K1 K3 N69 2.37(8) . . . .
N9 K1 K3 N69 114.32(7) . . . .
F111 K1 K3 N69 -66.18(7) . . . .
C12 K1 K3 N69 70.36(7) . . . .
K2 K1 K3 N69 -69.84(6) . . . .
K4 K1 K3 N69 0.04(6) . . . .
O13 K1 K3 C66 -70.35(12) . . . .
O43 K1 K3 C66 111.39(12) . . . .
O103 K1 K3 C66 -159.80(12) . . . .
F45 K1 K3 C66 97.63(12) . . . .
F17 K1 K3 C66 -65.41(12) . . . .
F107 K1 K3 C66 -124.11(12) . . . .
N9 K1 K3 C66 -12.16(12) . . . .
F111 K1 K3 C66 167.34(12) . . . .
C12 K1 K3 C66 -56.12(12) . . . .
K2 K1 K3 C66 163.68(11) . . . .
K4 K1 K3 C66 -126.44(11) . . . .
O13 K1 K3 C72 97.84(6) . . . .
O43 K1 K3 C72 -80.42(6) . . . .
O103 K1 K3 C72 8.39(5) . . . .
F45 K1 K3 C72 -94.18(5) . . . .
F17 K1 K3 C72 102.78(5) . . . .
F107 K1 K3 C72 44.08(6) . . . .
N9 K1 K3 C72 156.03(6) . . . .
F111 K1 K3 C72 -24.47(6) . . . .
C12 K1 K3 C72 112.07(6) . . . .
K2 K1 K3 C72 -28.13(4) . . . .
K4 K1 K3 C72 41.75(4) . . . .
O13 K1 K3 K4 56.09(5) . . . .
O43 K1 K3 K4 -122.16(4) . . . .
O103 K1 K3 K4 -33.35(3) . . . .
F45 K1 K3 K4 -135.93(3) . . . .
F17 K1 K3 K4 61.03(3) . . . .
F107 K1 K3 K4 2.33(5) . . . .
N9 K1 K3 K4 114.28(4) . . . .
F111 K1 K3 K4 -66.21(4) . . . .
C12 K1 K3 K4 70.32(4) . . . .
K2 K1 K3 K4 -69.875(13) . . . .
O13 K1 K3 K2 125.97(5) . . . .
O43 K1 K3 K2 -52.29(4) . . . .
O103 K1 K3 K2 36.52(3) . . . .
F45 K1 K3 K2 -66.05(3) . . . .
F17 K1 K3 K2 130.91(3) . . . .
F107 K1 K3 K2 72.21(5) . . . .
N9 K1 K3 K2 -175.84(4) . . . .
F111 K1 K3 K2 3.66(4) . . . .
C12 K1 K3 K2 140.20(5) . . . .
K4 K1 K3 K2 69.875(13) . . . .
C66 C61 C62 C63 0.5(4) . . . .
C61 C62 C63 C64 -0.6(4) . . . .
C62 C63 C64 C65 0.0(4) . . . .
C63 C64 C65 C66 0.9(4) . . . .
C62 C61 C66 C65 0.3(4) . . . .
C62 C61 C66 C67 180.0(2) . . . .
C62 C61 C66 K3 -68.3(2) . . . .
C64 C65 C66 C61 -1.0(3) . . . .
C64 C65 C66 C67 179.4(2) . . . .
C64 C65 C66 K3 69.7(2) . . . .
O13 K3 C66 C61 -28.42(17) . . . .
O73 K3 C66 C61 -139.30(14) . . . .
O43 K3 C66 C61 107.36(16) . . . .
F79 K3 C66 C61 174.38(16) . . . .
N69 K3 C66 C61 -120.72(17) . . . .
C72 K3 C66 C61 -146.18(15) . . . .
K4 K3 C66 C61 -89.06(15) . . . .
K2 K3 C66 C61 178.90(12) . . . .
K1 K3 C66 C61 22.8(2) . . . .
O13 K3 C66 C65 -150.43(15) . . . .
O73 K3 C66 C65 98.69(16) . . . .
O43 K3 C66 C65 -14.6(2) . . . .
F79 K3 C66 C65 52.37(15) . . . .
N69 K3 C66 C65 117.27(17) . . . .
C72 K3 C66 C65 91.81(16) . . . .
K4 K3 C66 C65 148.93(14) . . . .
K2 K3 C66 C65 56.89(18) . . . .
K1 K3 C66 C65 -99.23(18) . . . .
O13 K3 C66 C67 90.09(18) . . . .
O73 K3 C66 C67 -20.78(19) . . . .
O43 K3 C66 C67 -134.12(17) . . . .
F79 K3 C66 C67 -67.11(18) . . . .
N69 K3 C66 C67 -2.21(16) . . . .
C72 K3 C66 C67 -27.67(18) . . . .
K4 K3 C66 C67 29.4(2) . . . .
K2 K3 C66 C67 -62.6(2) . . . .
K1 K3 C66 C67 141.29(15) . . . .
C61 C66 C67 C68 118.9(3) . . . .
C65 C66 C67 C68 -61.5(3) . . . .
K3 C66 C67 C68 26.9(3) . . . .
C66 C67 C68 N69 -52.2(3) . . . .
C67 C68 N69 C70 -59.2(3) . . . .
C67 C68 N69 C71 178.9(2) . . . .
C67 C68 N69 K3 52.6(3) . . . .
O13 K3 N69 C68 -143.73(16) . . . .
O73 K3 N69 C68 135.72(17) . . . .
O43 K3 N69 C68 101.99(17) . . . .
F79 K3 N69 C68 65.75(16) . . . .
C66 K3 N69 C68 -24.72(15) . . . .
C72 K3 N69 C68 118.06(18) . . . .
K4 K3 N69 C68 179.34(16) . . . .
K2 K3 N69 C68 122.90(16) . . . .
K1 K3 N69 C68 179.31(14) . . . .
O13 K3 N69 C70 -24.41(14) . . . .
O73 K3 N69 C70 -104.96(14) . . . .
O43 K3 N69 C70 -138.69(13) . . . .
F79 K3 N69 C70 -174.93(14) . . . .
C66 K3 N69 C70 94.61(14) . . . .
C72 K3 N69 C70 -122.62(15) . . . .
K4 K3 N69 C70 -61.34(12) . . . .
K2 K3 N69 C70 -117.77(12) . . . .
K1 K3 N69 C70 -61.37(14) . . . .
O13 K3 N69 C71 88.55(14) . . . .
O73 K3 N69 C71 7.99(12) . . . .
O43 K3 N69 C71 -25.74(17) . . . .
F79 K3 N69 C71 -61.97(13) . . . .
C66 K3 N69 C71 -152.44(16) . . . .
C72 K3 N69 C71 -9.66(12) . . . .
K4 K3 N69 C71 51.62(13) . . . .
K2 K3 N69 C71 -4.82(14) . . . .
K1 K3 N69 C71 51.58(16) . . . .
C68 N69 C71 C72 -116.4(2) . . . .
C70 N69 C71 C72 120.7(2) . . . .
K3 N69 C71 C72 16.7(2) . . . .
N69 C71 C72 O73 -55.0(3) . . . .
N69 C71 C72 C74 -175.46(18) . . . .
N69 C71 C72 C78 70.0(2) . . . .
N69 C71 C72 K3 -14.30(18) . . . .
O13 K3 C72 O73 32.60(14) . . . .
O43 K3 C72 O73 -57.32(13) . . . .
F79 K3 C72 O73 -135.47(16) . . . .
N69 K3 C72 O73 132.49(16) . . . .
C66 K3 C72 O73 162.16(13) . . . .
K4 K3 C72 O73 28.30(12) . . . .
K2 K3 C72 O73 -41.90(12) . . . .
K1 K3 C72 O73 -12.97(14) . . . .
O13 K3 C72 C74 42.0(4) . . . .
O73 K3 C72 C74 9.4(3) . . . .
O43 K3 C72 C74 -47.9(3) . . . .
F79 K3 C72 C74 -126.1(4) . . . .
N69 K3 C72 C74 141.9(4) . . . .
C66 K3 C72 C74 171.5(3) . . . .
K4 K3 C72 C74 37.7(3) . . . .
K2 K3 C72 C74 -32.5(3) . . . .
K1 K3 C72 C74 -3.6(4) . . . .
O13 K3 C72 C78 158.83(11) . . . .
O73 K3 C72 C78 126.24(19) . . . .
O43 K3 C72 C78 68.92(12) . . . .
F79 K3 C72 C78 -9.24(10) . . . .
N69 K3 C72 C78 -101.27(13) . . . .
C66 K3 C72 C78 -71.60(12) . . . .
K4 K3 C72 C78 154.54(12) . . . .
K2 K3 C72 C78 84.33(11) . . . .
K1 K3 C72 C78 113.26(11) . . . .
O13 K3 C72 C71 -91.15(13) . . . .
O73 K3 C72 C71 -123.7(2) . . . .
O43 K3 C72 C71 178.94(12) . . . .
F79 K3 C72 C71 100.78(14) . . . .
N69 K3 C72 C71 8.75(11) . . . .
C66 K3 C72 C71 38.41(13) . . . .
K4 K3 C72 C71 -95.45(13) . . . .
K2 K3 C72 C71 -165.65(14) . . . .
K1 K3 C72 C71 -136.72(12) . . . .
C74 C72 O73 K3 -175.78(13) . . . .
C78 C72 O73 K3 -58.92(18) . . . .
C71 C72 O73 K3 65.86(19) . . . .
C74 C72 O73 K2 -67.0(2) . . . .
C78 C72 O73 K2 49.88(19) . . . .
C71 C72 O73 K2 174.65(13) . . . .
K3 C72 O73 K2 108.79(13) . . . .
C74 C72 O73 K4 65.8(2) . . . .
C78 C72 O73 K4 -177.37(12) . . . .
C71 C72 O73 K4 -52.6(3) . . . .
K3 C72 O73 K4 -118.46(19) . . . .
O13 K3 O73 C72 -149.64(13) . . . .
O43 K3 O73 C72 123.46(13) . . . .
F79 K3 O73 C72 33.89(13) . . . .
N69 K3 O73 C72 -36.75(13) . . . .
C66 K3 O73 C72 -19.43(15) . . . .
K4 K3 O73 C72 -143.46(15) . . . .
K2 K3 O73 C72 124.89(14) . . . .
K1 K3 O73 C72 167.89(13) . . . .
O13 K3 O73 K2 85.47(5) . . . .
O43 K3 O73 K2 -1.44(4) . . . .
F79 K3 O73 K2 -91.00(5) . . . .
N69 K3 O73 K2 -161.64(6) . . . .
C66 K3 O73 K2 -144.32(5) . . . .
C72 K3 O73 K2 -124.89(14) . . . .
K4 K3 O73 K2 91.65(5) . . . .
K1 K3 O73 K2 42.99(3) . . . .
O13 K3 O73 K4 -6.18(5) . . . .
O43 K3 O73 K4 -93.09(5) . . . .
F79 K3 O73 K4 177.35(6) . . . .
N69 K3 O73 K4 106.71(6) . . . .
C66 K3 O73 K4 124.03(6) . . . .
C72 K3 O73 K4 143.46(15) . . . .
K2 K3 O73 K4 -91.65(5) . . . .
K1 K3 O73 K4 -48.66(3) . . . .
O103 K2 O73 C72 152.09(14) . . . .
O43 K2 O73 C72 -117.97(14) . . . .
F50 K2 O73 C72 -61.19(14) . . . .
F76 K2 O73 C72 4.46(15) 3_666 . . .
F47 K2 O73 C72 -111.08(14) . . . .
F81 K2 O73 C72 -19.51(13) . . . .
F110 K2 O73 C72 125.97(13) . . . .
F76 K2 O73 C72 39.86(13) . . . .
F77 K2 O73 C72 16.81(18) 3_666 . . .
C42 K2 O73 C72 -105.32(14) . . . .
K4 K2 O73 C72 150.16(15) . . . .
O103 K2 O73 K3 -88.49(5) . . . .
O43 K2 O73 K3 1.45(5) . . . .
F50 K2 O73 K3 58.23(5) . . . .
F76 K2 O73 K3 123.88(4) 3_666 . . .
F47 K2 O73 K3 8.34(9) . . . .
F81 K2 O73 K3 99.90(5) . . . .
F110 K2 O73 K3 -114.61(6) . . . .
F76 K2 O73 K3 159.27(6) . . . .
F77 K2 O73 K3 136.23(7) 3_666 . . .
C42 K2 O73 K3 14.09(5) . . . .
K4 K2 O73 K3 -90.42(4) . . . .
O103 K2 O73 K4 1.93(4) . . . .
O43 K2 O73 K4 91.87(4) . . . .
F50 K2 O73 K4 148.65(4) . . . .
F76 K2 O73 K4 -145.70(4) 3_666 . . .
F47 K2 O73 K4 98.76(8) . . . .
F81 K2 O73 K4 -169.68(5) . . . .
F110 K2 O73 K4 -24.20(7) . . . .
F76 K2 O73 K4 -110.31(5) . . . .
F77 K2 O73 K4 -133.36(7) 3_666 . . .
C42 K2 O73 K4 104.51(5) . . . .
O73 C72 C74 F75 -68.0(2) . . . .
C78 C72 C74 F75 172.68(18) . . . .
C71 C72 C74 F75 55.6(2) . . . .
K3 C72 C74 F75 -75.1(4) . . . .
O73 C72 C74 F77 171.04(18) . . . .
C78 C72 C74 F77 51.7(2) . . . .
C71 C72 C74 F77 -65.3(2) . . . .
K3 C72 C74 F77 163.9(2) . . . .
O73 C72 C74 F76 50.4(2) . . . .
C78 C72 C74 F76 -69.0(2) . . . .
C71 C72 C74 F76 173.96(18) . . . .
K3 C72 C74 F76 43.3(4) . . . .
F75 C74 F76 K2 -120.36(13) . . . 3_666
F77 C74 F76 K2 -8.0(2) . . . 3_666
C72 C74 F76 K2 118.18(15) . . . 3_666
F75 C74 F76 K2 104.97(15) . . . .
F77 C74 F76 K2 -142.63(13) . . . .
C72 C74 F76 K2 -16.5(2) . . . .
O103 K2 F76 C74 -82.40(14) . . . .
O43 K2 F76 C74 24.68(16) . . . .
O73 K2 F76 C74 -8.59(13) . . . .
F50 K2 F76 C74 87.35(14) . . . .
F76 K2 F76 C74 134.75(15) 3_666 . . .
F47 K2 F76 C74 135.49(14) . . . .
F81 K2 F76 C74 69.07(14) . . . .
F110 K2 F76 C74 -142.10(13) . . . .
F77 K2 F76 C74 159.89(14) 3_666 . . .
C42 K2 F76 C74 54.94(16) . . . .
K4 K2 F76 C74 -50.92(13) . . . .
O103 K2 F76 K2 142.86(5) . . . 3_666
O43 K2 F76 K2 -110.07(6) . . . 3_666
O73 K2 F76 K2 -143.34(7) . . . 3_666
F50 K2 F76 K2 -47.39(5) . . . 3_666
F76 K2 F76 K2 0 3_666 . . 3_666
F47 K2 F76 K2 0.75(10) . . . 3_666
F81 K2 F76 K2 -65.67(5) . . . 3_666
F110 K2 F76 K2 83.16(5) . . . 3_666
F77 K2 F76 K2 25.14(5) 3_666 . . 3_666
C42 K2 F76 K2 -79.80(8) . . . 3_666
K4 K2 F76 K2 174.34(5) . . . 3_666
F75 C74 F77 K2 118.49(14) . . . 3_666
F76 C74 F77 K2 6.60(17) . . . 3_666
C72 C74 F77 K2 -117.98(17) . . . 3_666
O73 C72 C78 F80 172.80(16) . . . .
C74 C72 C78 F80 -68.5(2) . . . .
C71 C72 C78 F80 45.6(2) . . . .
K3 C72 C78 F80 134.82(16) . . . .
O73 C72 C78 F79 52.3(2) . . . .
C74 C72 C78 F79 170.95(17) . . . .
C71 C72 C78 F79 -74.9(2) . . . .
K3 C72 C78 F79 14.31(15) . . . .
O73 C72 C78 F81 -65.6(2) . . . .
C74 C72 C78 F81 53.1(2) . . . .
C71 C72 C78 F81 167.24(17) . . . .
K3 C72 C78 F81 -103.55(16) . . . .
F80 C78 F79 K3 -145.96(12) . . . .
F81 C78 F79 K3 102.05(15) . . . .
C72 C78 F79 K3 -20.0(2) . . . .
O13 K3 F79 C78 -12.49(19) . . . .
O73 K3 F79 C78 -4.94(13) . . . .
O43 K3 F79 C78 -92.27(14) . . . .
N69 K3 F79 C78 66.62(14) . . . .
C66 K3 F79 C78 124.91(14) . . . .
C72 K3 F79 C78 11.99(13) . . . .
K4 K3 F79 C78 -2.98(14) . . . .
K2 K3 F79 C78 -52.18(13) . . . .
K1 K3 F79 C78 -69.37(14) . . . .
F80 C78 F81 K2 170.96(12) . . . .
F79 C78 F81 K2 -77.23(15) . . . .
C72 C78 F81 K2 44.18(18) . . . .
O103 K2 F81 C78 -30.11(16) . . . .
O43 K2 F81 C78 67.74(13) . . . .
O73 K2 F81 C78 -15.38(12) . . . .
F50 K2 F81 C78 116.81(13) . . . .
F76 K2 F81 C78 -168.14(14) 3_666 . . .
F47 K2 F81 C78 125.35(12) . . . .
F110 K2 F81 C78 -148.94(12) . . . .
F76 K2 F81 C78 -83.37(13) . . . .
F77 K2 F81 C78 -177.85(13) 3_666 . . .
C42 K2 F81 C78 87.89(13) . . . .
K4 K2 F81 C78 -22.81(13) . . . .
C72 O73 K4 O103 -142.48(18) . . . .
K3 O73 K4 O103 91.38(5) . . . .
K2 O73 K4 O103 -1.93(4) . . . .
C72 O73 K4 O13 131.89(18) . . . .
K3 O73 K4 O13 5.75(5) . . . .
K2 O73 K4 O13 -87.56(4) . . . .
C72 O73 K4 F16 121.39(17) . . . .
K3 O73 K4 F16 -4.75(9) . . . .
K2 O73 K4 F16 -98.07(7) . . . .
C72 O73 K4 F105 -135.28(17) . . . .
K3 O73 K4 F105 98.58(7) . . . .
K2 O73 K4 F105 5.27(8) . . . .
C72 O73 K4 N99 -84.18(18) . . . .
K3 O73 K4 N99 149.68(5) . . . .
K2 O73 K4 N99 56.37(5) . . . .
C72 O73 K4 F21 81.46(17) . . . .
K3 O73 K4 F21 -44.68(5) . . . .
K2 O73 K4 F21 -137.99(4) . . . .
C72 O73 K4 C96 -28.41(19) . . . .
K3 O73 K4 C96 -154.55(6) . . . .
K2 O73 K4 C96 112.14(7) . . . .
C72 O73 K4 C102 -130.22(17) . . . .
K3 O73 K4 C102 103.64(5) . . . .
K2 O73 K4 C102 10.33(5) . . . .
C72 O73 K4 K3 126.14(19) . . . .
K2 O73 K4 K3 -93.31(5) . . . .
C72 O73 K4 K2 -140.55(19) . . . .
K3 O73 K4 K2 93.31(5) . . . .
C72 O73 K4 K1 173.43(17) . . . .
K3 O73 K4 K1 47.29(3) . . . .
K2 O73 K4 K1 -46.03(3) . . . .
C12 O13 K4 O103 125.28(15) . . . .
K3 O13 K4 O103 -91.76(5) . . . .
K1 O13 K4 O103 3.76(5) . . . .
C12 O13 K4 O73 -148.84(15) . . . .
K3 O13 K4 O73 -5.88(5) . . . .
K1 O13 K4 O73 89.65(5) . . . .
C12 O13 K4 F16 23.59(14) . . . .
K3 O13 K4 F16 166.55(6) . . . .
K1 O13 K4 F16 -97.92(6) . . . .
C12 O13 K4 F105 68.39(15) . . . .
K3 O13 K4 F105 -148.65(4) . . . .
K1 O13 K4 F105 -53.12(5) . . . .
C12 O13 K4 N99 102.65(17) . . . .
K3 O13 K4 N99 -114.39(8) . . . .
K1 O13 K4 N99 -18.86(10) . . . .
C12 O13 K4 F21 -37.30(14) . . . .
K3 O13 K4 F21 105.66(6) . . . .
K1 O13 K4 F21 -158.81(6) . . . .
C12 O13 K4 C96 2.8(2) . . . .
K3 O13 K4 C96 145.74(9) . . . .
K1 O13 K4 C96 -118.74(9) . . . .
C12 O13 K4 C102 110.32(15) . . . .
K3 O13 K4 C102 -106.72(5) . . . .
K1 O13 K4 C102 -11.19(6) . . . .
C12 O13 K4 K3 -142.96(17) . . . .
K1 O13 K4 K3 95.53(5) . . . .
C12 O13 K4 K2 167.30(15) . . . .
K3 O13 K4 K2 -49.74(3) . . . .
K1 O13 K4 K2 45.79(3) . . . .
C12 O13 K4 K1 121.51(16) . . . .
K3 O13 K4 K1 -95.53(5) . . . .
C14 F16 K4 O103 -70.16(16) . . . .
C14 F16 K4 O73 22.14(19) . . . .
C14 F16 K4 O13 9.50(15) . . . .
C14 F16 K4 F105 -113.01(16) . . . .
C14 F16 K4 N99 -131.27(16) . . . .
C14 F16 K4 F21 77.28(16) . . . .
C14 F16 K4 C96 177.42(16) . . . .
C14 F16 K4 C102 -89.18(16) . . . .
C14 F16 K4 K3 18.77(16) . . . .
C14 F16 K4 K2 -40.34(17) . . . .
C14 F16 K4 K1 -34.72(15) . . . .
C18 F21 K4 O103 -21.64(17) . . . .
C18 F21 K4 O73 78.01(15) . . . .
C18 F21 K4 O13 3.54(14) . . . .
C18 F21 K4 F16 -71.17(15) . . . .
C18 F21 K4 F105 -80.03(15) . . . .
C18 F21 K4 N99 -129.13(16) . . . .
C18 F21 K4 C96 -153.98(15) . . . .
C18 F21 K4 C102 -50.29(17) . . . .
C18 F21 K4 K3 47.08(14) . . . .
C18 F21 K4 K2 38.40(16) . . . .
C18 F21 K4 K1 -10.33(15) . . . .
O13 K3 K4 O103 85.60(6) . . . .
O73 K3 K4 O103 -86.00(6) . . . .
O43 K3 K4 O103 -0.53(5) . . . .
F79 K3 K4 O103 -88.38(5) . . . .
N69 K3 K4 O103 -144.08(5) . . . .
C66 K3 K4 O103 -169.84(7) . . . .
C72 K3 K4 O103 -99.88(5) . . . .
K2 K3 K4 O103 -33.66(3) . . . .
K1 K3 K4 O103 35.90(3) . . . .
O13 K3 K4 O73 171.59(7) . . . .
O43 K3 K4 O73 85.46(5) . . . .
F79 K3 K4 O73 -2.38(5) . . . .
N69 K3 K4 O73 -58.08(6) . . . .
C66 K3 K4 O73 -83.84(7) . . . .
C72 K3 K4 O73 -13.88(6) . . . .
K2 K3 K4 O73 52.33(5) . . . .
K1 K3 K4 O73 121.89(5) . . . .
O73 K3 K4 O13 -171.59(7) . . . .
O43 K3 K4 O13 -86.13(6) . . . .
F79 K3 K4 O13 -173.97(6) . . . .
N69 K3 K4 O13 130.32(6) . . . .
C66 K3 K4 O13 104.56(7) . . . .
C72 K3 K4 O13 174.52(6) . . . .
K2 K3 K4 O13 -119.26(5) . . . .
K1 K3 K4 O13 -49.70(5) . . . .
O13 K3 K4 F16 -11.30(5) . . . .
O73 K3 K4 F16 177.11(6) . . . .
O43 K3 K4 F16 -97.43(4) . . . .
F79 K3 K4 F16 174.73(4) . . . .
N69 K3 K4 F16 119.02(5) . . . .
C66 K3 K4 F16 93.26(7) . . . .
C72 K3 K4 F16 163.22(5) . . . .
K2 K3 K4 F16 -130.56(3) . . . .
K1 K3 K4 F16 -61.00(3) . . . .
O13 K3 K4 F105 42.08(6) . . . .
O73 K3 K4 F105 -129.52(6) . . . .
O43 K3 K4 F105 -44.05(5) . . . .
F79 K3 K4 F105 -131.90(5) . . . .
N69 K3 K4 F105 172.40(5) . . . .
C66 K3 K4 F105 146.64(7) . . . .
C72 K3 K4 F105 -143.40(6) . . . .
K2 K3 K4 F105 -77.18(4) . . . .
K1 K3 K4 F105 -7.62(4) . . . .
O13 K3 K4 N99 123.44(8) . . . .
O73 K3 K4 N99 -48.16(8) . . . .
O43 K3 K4 N99 37.31(7) . . . .
F79 K3 K4 N99 -50.53(7) . . . .
N69 K3 K4 N99 -106.24(7) . . . .
C66 K3 K4 N99 -132.00(8) . . . .
C72 K3 K4 N99 -62.04(8) . . . .
K2 K3 K4 N99 4.18(6) . . . .
K1 K3 K4 N99 73.74(6) . . . .
O13 K3 K4 F21 -53.53(5) . . . .
O73 K3 K4 F21 134.88(5) . . . .
O43 K3 K4 F21 -139.66(4) . . . .
F79 K3 K4 F21 132.50(4) . . . .
N69 K3 K4 F21 76.80(4) . . . .
C66 K3 K4 F21 51.04(6) . . . .
C72 K3 K4 F21 121.00(5) . . . .
K2 K3 K4 F21 -172.79(3) . . . .
K1 K3 K4 F21 -103.23(3) . . . .
O13 K3 K4 C96 -120.85(13) . . . .
O73 K3 K4 C96 67.55(13) . . . .
O43 K3 K4 C96 153.02(12) . . . .
F79 K3 K4 C96 65.17(13) . . . .
N69 K3 K4 C96 9.47(13) . . . .
C66 K3 K4 C96 -16.29(14) . . . .
C72 K3 K4 C96 53.67(13) . . . .
K2 K3 K4 C96 119.89(12) . . . .
K1 K3 K4 C96 -170.55(12) . . . .
O13 K3 K4 C102 83.43(6) . . . .
O73 K3 K4 C102 -88.17(6) . . . .
O43 K3 K4 C102 -2.70(5) . . . .
F79 K3 K4 C102 -90.55(5) . . . .
N69 K3 K4 C102 -146.25(5) . . . .
C66 K3 K4 C102 -172.01(7) . . . .
C72 K3 K4 C102 -102.05(6) . . . .
K2 K3 K4 C102 -35.83(4) . . . .
K1 K3 K4 C102 33.73(4) . . . .
O13 K3 K4 K2 119.26(5) . . . .
O73 K3 K4 K2 -52.33(4) . . . .
O43 K3 K4 K2 33.13(3) . . . .
F79 K3 K4 K2 -54.71(3) . . . .
N69 K3 K4 K2 -110.42(4) . . . .
C66 K3 K4 K2 -136.18(6) . . . .
C72 K3 K4 K2 -66.22(4) . . . .
K1 K3 K4 K2 69.560(13) . . . .
O13 K3 K4 K1 49.70(5) . . . .
O73 K3 K4 K1 -121.89(5) . . . .
O43 K3 K4 K1 -36.43(3) . . . .
F79 K3 K4 K1 -124.27(3) . . . .
N69 K3 K4 K1 -179.98(4) . . . .
C66 K3 K4 K1 154.26(6) . . . .
C72 K3 K4 K1 -135.78(4) . . . .
K2 K3 K4 K1 -69.560(13) . . . .
O43 K2 K4 O103 90.54(6) . . . .
O73 K2 K4 O103 177.12(6) . . . .
F50 K2 K4 O103 126.43(7) . . . .
F76 K2 K4 O103 -122.71(7) 3_666 . . .
F47 K2 K4 O103 44.85(6) . . . .
F81 K2 K4 O103 -173.74(6) . . . .
F110 K2 K4 O103 -18.89(6) . . . .
F76 K2 K4 O103 -131.19(5) . . . .
F77 K2 K4 O103 -48.76(7) 3_666 . . .
C42 K2 K4 O103 88.13(6) . . . .
O103 K2 K4 O73 -177.12(6) . . . .
O43 K2 K4 O73 -86.58(5) . . . .
F50 K2 K4 O73 -50.69(6) . . . .
F76 K2 K4 O73 60.17(6) 3_666 . . .
F47 K2 K4 O73 -132.27(6) . . . .
F81 K2 K4 O73 9.14(5) . . . .
F110 K2 K4 O73 163.99(5) . . . .
F76 K2 K4 O73 51.69(5) . . . .
F77 K2 K4 O73 134.12(7) 3_666 . . .
C42 K2 K4 O73 -88.99(6) . . . .
O103 K2 K4 O13 -87.24(6) . . . .
O43 K2 K4 O13 3.30(5) . . . .
O73 K2 K4 O13 89.88(5) . . . .
F50 K2 K4 O13 39.19(6) . . . .
F76 K2 K4 O13 150.05(6) 3_666 . . .
F47 K2 K4 O13 -42.39(5) . . . .
F81 K2 K4 O13 99.02(4) . . . .
F110 K2 K4 O13 -106.12(4) . . . .
F76 K2 K4 O13 141.58(4) . . . .
F77 K2 K4 O13 -136.00(6) 3_666 . . .
C42 K2 K4 O13 0.90(5) . . . .
O103 K2 K4 F16 -47.61(6) . . . .
O43 K2 K4 F16 42.93(5) . . . .
O73 K2 K4 F16 129.51(6) . . . .
F50 K2 K4 F16 78.82(6) . . . .
F76 K2 K4 F16 -170.32(6) 3_666 . . .
F47 K2 K4 F16 -2.77(6) . . . .
F81 K2 K4 F16 138.65(5) . . . .
F110 K2 K4 F16 -66.50(5) . . . .
F76 K2 K4 F16 -178.80(5) . . . .
F77 K2 K4 F16 -96.38(7) 3_666 . . .
C42 K2 K4 F16 40.52(6) . . . .
O103 K2 K4 F105 6.10(5) . . . .
O43 K2 K4 F105 96.64(4) . . . .
O73 K2 K4 F105 -176.78(5) . . . .
F50 K2 K4 F105 132.53(6) . . . .
F76 K2 K4 F105 -116.61(6) 3_666 . . .
F47 K2 K4 F105 50.95(5) . . . .
F81 K2 K4 F105 -167.64(4) . . . .
F110 K2 K4 F105 -12.78(4) . . . .
F76 K2 K4 F105 -125.08(4) . . . .
F77 K2 K4 F105 -42.66(6) 3_666 . . .
C42 K2 K4 F105 94.24(5) . . . .
O103 K2 K4 N99 58.82(6) . . . .
O43 K2 K4 N99 149.36(5) . . . .
O73 K2 K4 N99 -124.06(6) . . . .
F50 K2 K4 N99 -174.75(6) . . . .
F76 K2 K4 N99 -63.89(6) 3_666 . . .
F47 K2 K4 N99 103.67(6) . . . .
F81 K2 K4 N99 -114.92(5) . . . .
F110 K2 K4 N99 39.93(5) . . . .
F76 K2 K4 N99 -72.37(5) . . . .
F77 K2 K4 N99 10.06(7) 3_666 . . .
C42 K2 K4 N99 146.95(6) . . . .
O103 K2 K4 F21 -114.48(6) . . . .
O43 K2 K4 F21 -23.94(5) . . . .
O73 K2 K4 F21 62.64(6) . . . .
F50 K2 K4 F21 11.95(7) . . . .
F76 K2 K4 F21 122.81(6) 3_666 . . .
F47 K2 K4 F21 -69.63(6) . . . .
F81 K2 K4 F21 71.78(5) . . . .
F110 K2 K4 F21 -133.36(5) . . . .
F76 K2 K4 F21 114.34(5) . . . .
F77 K2 K4 F21 -163.24(6) 3_666 . . .
C42 K2 K4 F21 -26.34(6) . . . .
O103 K2 K4 C96 81.23(8) . . . .
O43 K2 K4 C96 171.77(7) . . . .
O73 K2 K4 C96 -101.65(7) . . . .
F50 K2 K4 C96 -152.34(7) . . . .
F76 K2 K4 C96 -41.48(8) 3_666 . . .
F47 K2 K4 C96 126.08(7) . . . .
F81 K2 K4 C96 -92.51(7) . . . .
F110 K2 K4 C96 62.34(7) . . . .
F76 K2 K4 C96 -49.96(6) . . . .
F77 K2 K4 C96 32.47(8) 3_666 . . .
C42 K2 K4 C96 169.36(7) . . . .
O103 K2 K4 C102 14.85(6) . . . .
O43 K2 K4 C102 105.39(6) . . . .
O73 K2 K4 C102 -168.03(6) . . . .
F50 K2 K4 C102 141.27(7) . . . .
F76 K2 K4 C102 -107.86(7) 3_666 . . .
F47 K2 K4 C102 59.69(6) . . . .
F81 K2 K4 C102 -158.89(5) . . . .
F110 K2 K4 C102 -4.04(5) . . . .
F76 K2 K4 C102 -116.34(5) . . . .
F77 K2 K4 C102 -33.92(7) 3_666 . . .
C42 K2 K4 C102 102.98(6) . . . .
O103 K2 K4 K3 -124.00(5) . . . .
O43 K2 K4 K3 -33.46(3) . . . .
O73 K2 K4 K3 53.12(4) . . . .
F50 K2 K4 K3 2.43(5) . . . .
F76 K2 K4 K3 113.29(5) 3_666 . . .
F47 K2 K4 K3 -79.15(4) . . . .
F81 K2 K4 K3 62.26(3) . . . .
F110 K2 K4 K3 -142.88(3) . . . .
F76 K2 K4 K3 104.82(3) . . . .
F77 K2 K4 K3 -172.76(5) 3_666 . . .
C42 K2 K4 K3 -35.86(4) . . . .
O103 K2 K4 K1 -53.76(5) . . . .
O43 K2 K4 K1 36.78(3) . . . .
O73 K2 K4 K1 123.36(4) . . . .
F50 K2 K4 K1 72.67(5) . . . .
F76 K2 K4 K1 -176.47(5) 3_666 . . .
F47 K2 K4 K1 -8.91(4) . . . .
F81 K2 K4 K1 132.50(3) . . . .
F110 K2 K4 K1 -72.64(3) . . . .
F76 K2 K4 K1 175.06(3) . . . .
F77 K2 K4 K1 -102.52(5) 3_666 . . .
C42 K2 K4 K1 34.38(4) . . . .
O13 K1 K4 O103 -174.60(7) . . . .
O43 K1 K4 O103 -86.69(6) . . . .
F45 K1 K4 O103 -49.88(6) . . . .
F17 K1 K4 O103 120.90(6) . . . .
F107 K1 K4 O103 59.21(6) . . . .
N9 K1 K4 O103 169.91(6) . . . .
F111 K1 K4 O103 12.33(5) . . . .
C12 K1 K4 O103 165.86(7) . . . .
K2 K1 K4 O103 -50.79(5) . . . .
K3 K1 K4 O103 -122.60(5) . . . .
O13 K1 K4 O73 -88.46(5) . . . .
O43 K1 K4 O73 -0.55(4) . . . .
O103 K1 K4 O73 86.14(6) . . . .
F45 K1 K4 O73 36.26(6) . . . .
F17 K1 K4 O73 -152.97(4) . . . .
F107 K1 K4 O73 145.34(4) . . . .
N9 K1 K4 O73 -103.96(5) . . . .
F111 K1 K4 O73 98.47(4) . . . .
C12 K1 K4 O73 -108.00(5) . . . .
K2 K1 K4 O73 35.35(3) . . . .
K3 K1 K4 O73 -36.46(3) . . . .
O43 K1 K4 O13 87.91(6) . . . .
O103 K1 K4 O13 174.60(7) . . . .
F45 K1 K4 O13 124.72(7) . . . .
F17 K1 K4 O13 -64.50(5) . . . .
F107 K1 K4 O13 -126.20(6) . . . .
N9 K1 K4 O13 -15.49(6) . . . .
F111 K1 K4 O13 -173.07(6) . . . .
C12 K1 K4 O13 -19.54(6) . . . .
K2 K1 K4 O13 123.81(5) . . . .
K3 K1 K4 O13 52.00(5) . . . .
O13 K1 K4 F16 61.23(5) . . . .
O43 K1 K4 F16 149.15(4) . . . .
O103 K1 K4 F16 -124.17(6) . . . .
F45 K1 K4 F16 -174.04(5) . . . .
F17 K1 K4 F16 -3.27(4) . . . .
F107 K1 K4 F16 -64.96(4) . . . .
N9 K1 K4 F16 45.74(5) . . . .
F111 K1 K4 F16 -111.83(4) . . . .
C12 K1 K4 F16 41.69(5) . . . .
K2 K1 K4 F16 -174.96(3) . . . .
K3 K1 K4 F16 113.23(3) . . . .
O13 K1 K4 F105 121.71(5) . . . .
O43 K1 K4 F105 -150.37(4) . . . .
O103 K1 K4 F105 -63.69(5) . . . .
F45 K1 K4 F105 -113.57(5) . . . .
F17 K1 K4 F105 57.21(4) . . . .
F107 K1 K4 F105 -4.48(4) . . . .
N9 K1 K4 F105 106.22(5) . . . .
F111 K1 K4 F105 -51.35(4) . . . .
C12 K1 K4 F105 102.17(5) . . . .
K2 K1 K4 F105 -114.48(3) . . . .
K3 K1 K4 F105 173.71(3) . . . .
O13 K1 K4 N99 168.45(6) . . . .
O43 K1 K4 N99 -103.63(5) . . . .
O103 K1 K4 N99 -16.95(6) . . . .
F45 K1 K4 N99 -66.82(6) . . . .
F17 K1 K4 N99 103.95(5) . . . .
F107 K1 K4 N99 42.26(5) . . . .
N9 K1 K4 N99 152.96(6) . . . .
F111 K1 K4 N99 -4.61(5) . . . .
C12 K1 K4 N99 148.91(6) . . . .
K2 K1 K4 N99 -67.74(4) . . . .
K3 K1 K4 N99 -139.55(4) . . . .
O13 K1 K4 F21 16.81(5) . . . .
O43 K1 K4 F21 104.72(4) . . . .
O103 K1 K4 F21 -168.59(6) . . . .
F45 K1 K4 F21 141.53(5) . . . .
F17 K1 K4 F21 -47.69(4) . . . .
F107 K1 K4 F21 -109.39(4) . . . .
N9 K1 K4 F21 1.32(5) . . . .
F111 K1 K4 F21 -156.26(4) . . . .
C12 K1 K4 F21 -2.73(5) . . . .
K2 K1 K4 F21 140.62(3) . . . .
K3 K1 K4 F21 68.81(3) . . . .
O13 K1 K4 C96 122.03(9) . . . .
O43 K1 K4 C96 -150.06(8) . . . .
O103 K1 K4 C96 -63.38(9) . . . .
F45 K1 K4 C96 -113.25(9) . . . .
F17 K1 K4 C96 57.52(8) . . . .
F107 K1 K4 C96 -4.17(8) . . . .
N9 K1 K4 C96 106.53(9) . . . .
F111 K1 K4 C96 -51.04(8) . . . .
C12 K1 K4 C96 102.49(9) . . . .
K2 K1 K4 C96 -114.16(8) . . . .
K3 K1 K4 C96 174.03(8) . . . .
O13 K1 K4 C102 166.85(7) . . . .
O43 K1 K4 C102 -105.24(6) . . . .
O103 K1 K4 C102 -18.55(7) . . . .
F45 K1 K4 C102 -68.43(7) . . . .
F17 K1 K4 C102 102.35(6) . . . .
F107 K1 K4 C102 40.65(6) . . . .
N9 K1 K4 C102 151.36(6) . . . .
F111 K1 K4 C102 -6.22(6) . . . .
C12 K1 K4 C102 147.31(7) . . . .
K2 K1 K4 C102 -69.34(5) . . . .
K3 K1 K4 C102 -141.15(5) . . . .
O13 K1 K4 K3 -52.00(5) . . . .
O43 K1 K4 K3 35.91(3) . . . .
O103 K1 K4 K3 122.60(5) . . . .
F45 K1 K4 K3 72.72(5) . . . .
F17 K1 K4 K3 -116.50(3) . . . .
F107 K1 K4 K3 -178.20(3) . . . .
N9 K1 K4 K3 -67.49(4) . . . .
F111 K1 K4 K3 134.93(3) . . . .
C12 K1 K4 K3 -71.54(5) . . . .
K2 K1 K4 K3 71.810(14) . . . .
O13 K1 K4 K2 -123.81(5) . . . .
O43 K1 K4 K2 -35.90(3) . . . .
O103 K1 K4 K2 50.79(5) . . . .
F45 K1 K4 K2 0.91(5) . . . .
F17 K1 K4 K2 171.69(3) . . . .
F107 K1 K4 K2 109.99(3) . . . .
N9 K1 K4 K2 -139.30(4) . . . .
F111 K1 K4 K2 63.12(3) . . . .
C12 K1 K4 K2 -143.35(5) . . . .
K3 K1 K4 K2 -71.810(13) . . . .
C96 C91 C92 C93 1.2(4) . . . .
C91 C92 C93 C94 -0.1(4) . . . .
C92 C93 C94 C95 -0.9(5) . . . .
C93 C94 C95 C96 0.8(5) . . . .
C92 C91 C96 C95 -1.2(4) . . . .
C92 C91 C96 C97 176.7(2) . . . .
C92 C91 C96 K4 -74.3(2) . . . .
C94 C95 C96 C91 0.3(4) . . . .
C94 C95 C96 C97 -177.7(3) . . . .
C94 C95 C96 K4 68.4(3) . . . .
O103 K4 C96 C91 -100.81(18) . . . .
O73 K4 C96 C91 159.00(16) . . . .
O13 K4 C96 C91 13.8(2) . . . .
F16 K4 C96 C91 -3.36(17) . . . .
F105 K4 C96 C91 -58.28(17) . . . .
N99 K4 C96 C91 -119.05(19) . . . .
F21 K4 C96 C91 45.08(18) . . . .
C102 K4 C96 C91 -95.19(18) . . . .
K3 K4 C96 C91 107.95(19) . . . .
K2 K4 C96 C91 -146.36(16) . . . .
K1 K4 C96 C91 -58.6(2) . . . .
O103 K4 C96 C95 138.04(17) . . . .
O73 K4 C96 C95 37.8(2) . . . .
O13 K4 C96 C95 -107.31(18) . . . .
F16 K4 C96 C95 -124.52(18) . . . .
F105 K4 C96 C95 -179.43(19) . . . .
N99 K4 C96 C95 119.80(19) . . . .
F21 K4 C96 C95 -76.07(18) . . . .
C102 K4 C96 C95 143.65(18) . . . .
K3 K4 C96 C95 -13.2(3) . . . .
K2 K4 C96 C95 92.49(18) . . . .
K1 K4 C96 C95 -179.74(15) . . . .
O103 K4 C96 C97 17.3(2) . . . .
O73 K4 C96 C97 -82.84(19) . . . .
O13 K4 C96 C97 132.00(17) . . . .
F16 K4 C96 C97 114.79(18) . . . .
F105 K4 C96 C97 59.88(18) . . . .
N99 K4 C96 C97 -0.89(17) . . . .
F21 K4 C96 C97 163.23(18) . . . .
C102 K4 C96 C97 22.96(19) . . . .
K3 K4 C96 C97 -133.90(17) . . . .
K2 K4 C96 C97 -28.2(2) . . . .
K1 K4 C96 C97 59.6(2) . . . .
C91 C96 C97 C98 61.7(3) . . . .
C95 C96 C97 C98 -120.4(3) . . . .
K4 C96 C97 C98 -24.1(3) . . . .
C96 C97 C98 N99 52.6(3) . . . .
C97 C98 N99 C101 179.8(2) . . . .
C97 C98 N99 C100 58.2(3) . . . .
C97 C98 N99 K4 -55.8(3) . . . .
O103 K4 N99 C101 -6.15(15) . . . .
O73 K4 N99 C101 -83.31(17) . . . .
O13 K4 N99 C101 20.0(2) . . . .
F16 K4 N99 C101 80.61(17) . . . .
F105 K4 N99 C101 62.36(16) . . . .
F21 K4 N99 C101 123.56(16) . . . .
C96 K4 N99 C101 154.42(19) . . . .
C102 K4 N99 C101 9.24(15) . . . .
K3 K4 N99 C101 -50.94(19) . . . .
K2 K4 N99 C101 -47.22(16) . . . .
K1 K4 N99 C101 7.33(17) . . . .
O103 K4 N99 C100 107.54(17) . . . .
O73 K4 N99 C100 30.38(16) . . . .
O13 K4 N99 C100 133.69(16) . . . .
F16 K4 N99 C100 -165.70(15) . . . .
F105 K4 N99 C100 176.05(18) . . . .
F21 K4 N99 C100 -122.75(16) . . . .
C96 K4 N99 C100 -91.89(17) . . . .
C102 K4 N99 C100 122.93(18) . . . .
K3 K4 N99 C100 62.74(18) . . . .
K2 K4 N99 C100 66.47(16) . . . .
K1 K4 N99 C100 121.01(15) . . . .
O103 K4 N99 C98 -132.8(2) . . . .
O73 K4 N99 C98 149.99(18) . . . .
O13 K4 N99 C98 -106.70(19) . . . .
F16 K4 N99 C98 -46.09(19) . . . .
F105 K4 N99 C98 -64.34(18) . . . .
F21 K4 N99 C98 -3.1(2) . . . .
C96 K4 N99 C98 27.72(17) . . . .
C102 K4 N99 C98 -117.5(2) . . . .
K3 K4 N99 C98 -177.64(16) . . . .
K2 K4 N99 C98 -173.91(19) . . . .
K1 K4 N99 C98 -119.37(18) . . . .
C100 N99 C101 C102 -123.1(2) . . . .
C98 N99 C101 C102 114.8(2) . . . .
K4 N99 C101 C102 -16.1(3) . . . .
N99 C101 C102 O103 48.2(3) . . . .
N99 C101 C102 C104 -74.9(3) . . . .
N99 C101 C102 C108 168.1(2) . . . .
N99 C101 C102 K4 14.0(2) . . . .
O73 K4 C102 O103 -38.98(15) . . . .
O13 K4 C102 O103 49.86(15) . . . .
F16 K4 C102 O103 106.15(15) . . . .
F105 K4 C102 O103 136.44(18) . . . .
N99 K4 C102 O103 -136.69(18) . . . .
F21 K4 C102 O103 90.55(16) . . . .
C96 K4 C102 O103 -164.39(15) . . . .
K3 K4 C102 O103 6.45(16) . . . .
K2 K4 C102 O103 -30.57(13) . . . .
K1 K4 C102 O103 41.10(13) . . . .
O103 K4 C102 C104 -122.3(2) . . . .
O73 K4 C102 C104 -161.29(14) . . . .
O13 K4 C102 C104 -72.44(14) . . . .
F16 K4 C102 C104 -16.15(14) . . . .
F105 K4 C102 C104 14.14(13) . . . .
N99 K4 C102 C104 101.01(16) . . . .
F21 K4 C102 C104 -31.76(17) . . . .
C96 K4 C102 C104 73.31(15) . . . .
K3 K4 C102 C104 -115.85(14) . . . .
K2 K4 C102 C104 -152.88(15) . . . .
K1 K4 C102 C104 -81.20(14) . . . .
O103 K4 C102 C108 4.0(3) . . . .
O73 K4 C102 C108 -35.0(3) . . . .
O13 K4 C102 C108 53.9(3) . . . .
F16 K4 C102 C108 110.2(3) . . . .
F105 K4 C102 C108 140.5(3) . . . .
N99 K4 C102 C108 -132.7(3) . . . .
F21 K4 C102 C108 94.6(3) . . . .
C96 K4 C102 C108 -160.4(3) . . . .
K3 K4 C102 C108 10.5(3) . . . .
K2 K4 C102 C108 -26.6(3) . . . .
K1 K4 C102 C108 45.1(3) . . . .
O103 K4 C102 C101 128.4(2) . . . .
O73 K4 C102 C101 89.44(14) . . . .
O13 K4 C102 C101 178.29(14) . . . .
F16 K4 C102 C101 -125.43(14) . . . .
F105 K4 C102 C101 -95.13(15) . . . .
N99 K4 C102 C101 -8.26(13) . . . .
F21 K4 C102 C101 -141.03(13) . . . .
C96 K4 C102 C101 -35.96(15) . . . .
K3 K4 C102 C101 134.88(14) . . . .
K2 K4 C102 C101 97.85(14) . . . .
K1 K4 C102 C101 169.53(16) . . . .
C104 C102 O103 K4 63.5(2) . . . .
C108 C102 O103 K4 -177.85(14) . . . .
C101 C102 O103 K4 -59.7(2) . . . .
C104 C102 O103 K2 -170.35(15) . . . .
C108 C102 O103 K2 -51.7(2) . . . .
C101 C102 O103 K2 66.5(2) . . . .
K4 C102 O103 K2 126.14(19) . . . .
C104 C102 O103 K1 -52.0(2) . . . .
C108 C102 O103 K1 66.6(2) . . . .
C101 C102 O103 K1 -175.19(15) . . . .
K4 C102 O103 K1 -115.53(15) . . . .
O73 K4 O103 C102 141.75(15) . . . .
O13 K4 O103 C102 -130.63(15) . . . .
F16 K4 O103 C102 -75.36(15) . . . .
F105 K4 O103 C102 -33.09(14) . . . .
N99 K4 O103 C102 33.87(15) . . . .
F21 K4 O103 C102 -110.69(15) . . . .
C96 K4 O103 C102 16.88(16) . . . .
K3 K4 O103 C102 -173.84(15) . . . .
K2 K4 O103 C102 139.75(17) . . . .
K1 K4 O103 C102 -127.04(16) . . . .
O73 K4 O103 K2 2.00(4) . . . .
O13 K4 O103 K2 89.62(5) . . . .
F16 K4 O103 K2 144.89(4) . . . .
F105 K4 O103 K2 -172.85(6) . . . .
N99 K4 O103 K2 -105.88(6) . . . .
F21 K4 O103 K2 109.56(6) . . . .
C96 K4 O103 K2 -122.87(6) . . . .
C102 K4 O103 K2 -139.75(17) . . . .
K3 K4 O103 K2 46.40(4) . . . .
K1 K4 O103 K2 93.20(5) . . . .
O73 K4 O103 K1 -91.21(4) . . . .
O13 K4 O103 K1 -3.59(4) . . . .
F16 K4 O103 K1 51.68(5) . . . .
F105 K4 O103 K1 93.95(5) . . . .
N99 K4 O103 K1 160.91(7) . . . .
F21 K4 O103 K1 16.35(8) . . . .
C96 K4 O103 K1 143.92(5) . . . .
C102 K4 O103 K1 127.04(16) . . . .
K3 K4 O103 K1 -46.80(3) . . . .
K2 K4 O103 K1 -93.20(5) . . . .
O43 K2 O103 C102 135.85(17) . . . .
O73 K2 O103 C102 -137.12(17) . . . .
F50 K2 O103 C102 112.21(17) . . . .
F76 K2 O103 C102 -15.9(2) 3_666 . . .
F47 K2 O103 C102 77.76(17) . . . .
F81 K2 O103 C102 -124.44(17) . . . .
F110 K2 O103 C102 22.16(16) . . . .
F76 K2 O103 C102 -85.21(17) . . . .
F77 K2 O103 C102 19.83(18) 3_666 . . .
C42 K2 O103 C102 120.41(17) . . . .
K4 K2 O103 C102 -135.09(19) . . . .
O43 K2 O103 K4 -89.06(5) . . . .
O73 K2 O103 K4 -2.03(4) . . . .
F50 K2 O103 K4 -112.70(8) . . . .
F76 K2 O103 K4 119.20(7) 3_666 . . .
F47 K2 O103 K4 -147.15(4) . . . .
F81 K2 O103 K4 10.65(9) . . . .
F110 K2 O103 K4 157.25(7) . . . .
F76 K2 O103 K4 49.88(5) . . . .
F77 K2 O103 K4 154.93(4) 3_666 . . .
C42 K2 O103 K4 -104.50(5) . . . .
O43 K2 O103 K1 6.74(5) . . . .
O73 K2 O103 K1 93.77(5) . . . .
F50 K2 O103 K1 -16.90(10) . . . .
F76 K2 O103 K1 -145.00(6) 3_666 . . .
F47 K2 O103 K1 -51.35(5) . . . .
F81 K2 O103 K1 106.45(7) . . . .
F110 K2 O103 K1 -106.95(6) . . . .
F76 K2 O103 K1 145.68(4) . . . .
F77 K2 O103 K1 -109.28(4) 3_666 . . .
C42 K2 O103 K1 -8.70(6) . . . .
K4 K2 O103 K1 95.80(5) . . . .
O13 K1 O103 C102 131.83(15) . . . .
O43 K1 O103 C102 -142.12(15) . . . .
F45 K1 O103 C102 -86.20(15) . . . .
F17 K1 O103 C102 72.47(15) . . . .
F107 K1 O103 C102 24.67(14) . . . .
N9 K1 O103 C102 111.35(16) . . . .
F111 K1 O103 C102 -36.87(14) . . . .
C12 K1 O103 C102 115.77(15) . . . .
K2 K1 O103 C102 -135.50(17) . . . .
K3 K1 O103 C102 173.94(15) . . . .
K4 K1 O103 C102 128.01(16) . . . .
O13 K1 O103 K4 3.81(5) . . . .
O43 K1 O103 K4 89.87(5) . . . .
F45 K1 O103 K4 145.79(4) . . . .
F17 K1 O103 K4 -55.54(5) . . . .
F107 K1 O103 K4 -103.34(6) . . . .
N9 K1 O103 K4 -16.66(10) . . . .
F111 K1 O103 K4 -164.89(7) . . . .
C12 K1 O103 K4 -12.24(6) . . . .
K2 K1 O103 K4 96.48(5) . . . .
K3 K1 O103 K4 45.93(4) . . . .
O13 K1 O103 K2 -92.67(5) . . . .
O43 K1 O103 K2 -6.61(5) . . . .
F45 K1 O103 K2 49.30(5) . . . .
F17 K1 O103 K2 -152.02(5) . . . .
F107 K1 O103 K2 160.18(7) . . . .
N9 K1 O103 K2 -113.15(8) . . . .
F111 K1 O103 K2 98.63(6) . . . .
C12 K1 O103 K2 -108.72(5) . . . .
K3 K1 O103 K2 -50.55(4) . . . .
K4 K1 O103 K2 -96.48(5) . . . .
O103 C102 C104 F106 -179.6(2) . . . .
C108 C102 C104 F106 61.8(3) . . . .
C101 C102 C104 F106 -53.2(3) . . . .
K4 C102 C104 F106 -143.9(2) . . . .
O103 C102 C104 F105 -59.4(3) . . . .
C108 C102 C104 F105 -178.1(2) . . . .
C101 C102 C104 F105 67.0(3) . . . .
K4 C102 C104 F105 -23.72(19) . . . .
O103 C102 C104 F107 58.9(3) . . . .
C108 C102 C104 F107 -59.7(3) . . . .
C101 C102 C104 F107 -174.7(2) . . . .
K4 C102 C104 F107 94.60(19) . . . .
F106 C104 F105 K4 154.10(16) . . . .
F107 C104 F105 K4 -93.38(18) . . . .
C102 C104 F105 K4 29.2(2) . . . .
O103 K4 F105 C104 -1.58(16) . . . .
O73 K4 F105 C104 -10.11(19) . . . .
O13 K4 F105 C104 80.51(16) . . . .
F16 K4 F105 C104 125.24(17) . . . .
N99 K4 F105 C104 -75.41(16) . . . .
F21 K4 F105 C104 133.25(16) . . . .
C96 K4 F105 C104 -133.69(17) . . . .
C102 K4 F105 C104 -17.55(16) . . . .
K3 K4 F105 C104 53.13(17) . . . .
K2 K4 F105 C104 -6.42(16) . . . .
K1 K4 F105 C104 46.11(16) . . . .
F106 C104 F107 K1 -162.28(15) . . . .
F105 C104 F107 K1 85.24(19) . . . .
C102 C104 F107 K1 -36.3(3) . . . .
O13 K1 F107 C104 -67.95(17) . . . .
O43 K1 F107 C104 29.6(2) . . . .
O103 K1 F107 C104 8.56(16) . . . .
F45 K1 F107 C104 99.47(17) . . . .
F17 K1 F107 C104 -112.00(17) . . . .
N9 K1 F107 C104 -131.31(17) . . . .
F111 K1 F107 C104 77.05(17) . . . .
C12 K1 F107 C104 -88.18(17) . . . .
K2 K1 F107 C104 21.77(17) . . . .
K3 K1 F107 C104 -34.54(18) . . . .
K4 K1 F107 C104 -32.49(16) . . . .
O103 C102 C108 F109 179.2(2) . . . .
C104 C102 C108 F109 -61.9(3) . . . .
C101 C102 C108 F109 55.4(3) . . . .
K4 C102 C108 F109 176.4(2) . . . .
O103 C102 C108 F111 -58.4(3) . . . .
C104 C102 C108 F111 60.6(3) . . . .
C101 C102 C108 F111 177.8(2) . . . .
K4 C102 C108 F111 -61.1(4) . . . .
O103 C102 C108 F110 59.2(3) . . . .
C104 C102 C108 F110 178.12(19) . . . .
C101 C102 C108 F110 -64.6(3) . . . .
K4 C102 C108 F110 56.4(4) . . . .
F109 C108 F110 K2 -165.51(14) . . . .
F111 C108 F110 K2 82.02(18) . . . .
C102 C108 F110 K2 -40.4(2) . . . .
O103 K2 F110 C108 13.64(14) . . . .
O43 K2 F110 C108 -62.50(16) . . . .
O73 K2 F110 C108 45.48(17) . . . .
F50 K2 F110 C108 -126.73(15) . . . .
F76 K2 F110 C108 172.43(15) 3_666 . . .
F47 K2 F110 C108 -102.93(15) . . . .
F81 K2 F110 C108 156.55(14) . . . .
F76 K2 F110 C108 107.90(15) . . . .
F77 K2 F110 C108 -168.86(16) 3_666 . . .
C42 K2 F110 C108 -82.92(15) . . . .
K4 K2 F110 C108 28.68(15) . . . .
F109 C108 F111 K1 151.66(15) . . . .
F110 C108 F111 K1 -95.91(17) . . . .
C102 C108 F111 K1 24.6(2) . . . .
O13 K1 F111 C108 -14.01(18) . . . .
O43 K1 F111 C108 79.90(16) . . . .
O103 K1 F111 C108 3.12(15) . . . .
F45 K1 F111 C108 130.11(16) . . . .
F17 K1 F111 C108 -80.13(16) . . . .
F107 K1 F111 C108 -71.94(15) . . . .
N9 K1 F111 C108 -136.58(16) . . . .
C12 K1 F111 C108 -46.67(18) . . . .
K2 K1 F111 C108 47.81(15) . . . .
K3 K1 F111 C108 44.43(16) . . . .
K4 K1 F111 C108 -6.65(15) . . . .
