#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:42:36 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178530 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/35/4063551.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_4063551
loop_
_publ_author_name
'Gott, Andrew L.'
'Piers, Warren E.'
'Dutton, Jason L.'
'McDonald, Robert'
'Parvez, Masood'
_publ_section_title
;
 Dimerization of Ethylene by Palladium Complexes Containing Bidentate
 Trifluoroborate-Functionalized Phosphine Ligands
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              4236
_journal_paper_doi               10.1021/om2004095
_journal_volume                  30
_journal_year                    2011
_chemical_formula_moiety         'C66 H66 B3 F9 K3 O8 P3, C3 H6 O'
_chemical_formula_sum            'C69 H72 B3 F9 K3 O9 P3'
_chemical_formula_weight         1458.91
_chemical_name_common            'in paper 1b'
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.1198(9)
_cell_angle_beta                 101.4642(10)
_cell_angle_gamma                118.8608(6)
_cell_formula_units_Z            2
_cell_length_a                   15.9374(3)
_cell_length_b                   16.0937(3)
_cell_length_c                   17.2241(2)
_cell_measurement_reflns_used    14994
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.0
_cell_volume                     3570.84(11)
_computing_cell_refinement       'HKL DENZO (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Hooft, 1998)'
_computing_data_reduction        'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare et al., 1991)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Nonius APEX2 CCD'
_diffrn_measurement_method       ' ω and φ '
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0265
_diffrn_reflns_av_sigmaI/netI    0.0347
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            29902
_diffrn_reflns_theta_full        27.43
_diffrn_reflns_theta_max         27.43
_diffrn_reflns_theta_min         1.55
_exptl_absorpt_coefficient_mu    0.336
_exptl_absorpt_correction_T_max  0.9736
_exptl_absorpt_correction_T_min  0.9420
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SORTAV: (Blessing, 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.357
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1512
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.880
_refine_diff_density_min         -0.534
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.957
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     868
_refine_ls_number_reflns         16138
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.957
_refine_ls_R_factor_all          0.0631
_refine_ls_R_factor_gt           0.0493
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0783P)²+4.4324P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1328
_refine_ls_wR_factor_ref         0.1496
_reflns_number_gt                13341
_reflns_number_total             16138
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om2004095_si_001.cif
_cod_data_source_block           alg524
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        3570.84(10)
_cod_database_code               4063551
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
K1 K 0.44144(4) 0.46163(4) 0.08957(3) 0.03229(12) Uani 1 1 d .
K2 K 0.79771(4) 0.70094(4) 0.18926(3) 0.03498(13) Uani 1 1 d .
K3 K 0.72771(4) 0.43584(4) 0.06910(3) 0.03347(13) Uani 1 1 d .
P1 P 0.85564(4) 0.55014(4) 0.29855(3) 0.02260(12) Uani 1 1 d .
B1 B 0.6143(2) 0.4357(2) 0.21774(17) 0.0284(5) Uani 1 1 d .
F1 F 0.50768(11) 0.38133(12) 0.19112(10) 0.0400(4) Uani 1 1 d .
F2 F 0.64379(11) 0.37379(11) 0.17767(8) 0.0323(3) Uani 1 1 d .
F3 F 0.64526(11) 0.51788(11) 0.18451(9) 0.0336(3) Uani 1 1 d .
O1 O 0.91685(13) 0.47295(13) 0.16720(10) 0.0312(4) Uani 1 1 d .
O2 O 0.93600(13) 0.76591(13) 0.36976(11) 0.0332(4) Uani 1 1 d .
P2 P 0.72363(4) 0.87395(4) 0.24809(3) 0.02422(12) Uani 1 1 d .
B2 B 0.5478(2) 0.6901(2) 0.08113(17) 0.0302(5) Uani 1 1 d .
F4 F 0.51432(14) 0.66636(12) 0.14817(10) 0.0484(4) Uani 1 1 d .
F5 F 0.62340(13) 0.66781(13) 0.08064(11) 0.0490(4) Uani 1 1 d .
F6 F 0.46458(11) 0.61709(11) 0.00589(9) 0.0381(3) Uani 1 1 d .
O3 O 0.87192(15) 0.89892(14) 0.16892(12) 0.0408(4) Uani 1 1 d .
O4 O 0.77112(14) 0.87400(17) 0.41898(12) 0.0432(5) Uani 1 1 d .
P3 P 0.73433(4) 0.62811(4) -0.17203(3) 0.02348(12) Uani 1 1 d .
B3 B 0.8339(2) 0.6111(2) -0.00084(18) 0.0369(6) Uani 1 1 d .
F7 F 0.88677(15) 0.61275(16) 0.07543(12) 0.0679(6) Uani 1 1 d .
F8 F 0.76410(16) 0.63540(18) 0.02239(12) 0.0647(6) Uani 1 1 d .
F9 F 0.77133(19) 0.51331(14) -0.05645(12) 0.0782(7) Uani 1 1 d .
O5 O 0.74818(16) 0.81420(15) -0.12128(12) 0.0437(5) Uani 1 1 d .
O6 O 0.54545(13) 0.44642(13) -0.27549(12) 0.0353(4) Uani 1 1 d .
C1 C 0.77130(17) 0.52578(17) 0.36177(14) 0.0260(4) Uani 1 1 d .
C2 C 0.66563(17) 0.47513(17) 0.31918(14) 0.0262(4) Uani 1 1 d .
C3 C 0.6027(2) 0.4565(2) 0.36865(17) 0.0368(6) Uani 1 1 d .
H3 H 0.5312 0.4222 0.3417 0.044 Uiso 1 1 calc R
C4 C 0.6415(2) 0.4865(2) 0.45590(18) 0.0444(7) Uani 1 1 d .
H4 H 0.5967 0.4725 0.4874 0.053 Uiso 1 1 calc R
C5 C 0.7454(2) 0.5366(2) 0.49671(16) 0.0432(7) Uani 1 1 d .
H5 H 0.7722 0.5571 0.5563 0.052 Uiso 1 1 calc R
C6 C 0.8102(2) 0.5568(2) 0.44969(15) 0.0344(5) Uani 1 1 d .
H6 H 0.8816 0.5919 0.4775 0.041 Uiso 1 1 calc R
C7 C 0.86718(17) 0.44003(17) 0.28359(14) 0.0255(4) Uani 1 1 d .
C8 C 0.89916(16) 0.41408(17) 0.21770(13) 0.0253(4) Uani 1 1 d .
C9 C 0.91230(19) 0.33378(19) 0.20594(16) 0.0332(5) Uani 1 1 d .
H9 H 0.9337 0.3168 0.1610 0.040 Uiso 1 1 calc R
C10 C 0.8940(2) 0.2786(2) 0.25995(19) 0.0424(6) Uani 1 1 d .
H10 H 0.9035 0.2241 0.2521 0.051 Uiso 1 1 calc R
C11 C 0.8621(2) 0.3019(2) 0.3249(2) 0.0447(7) Uani 1 1 d .
H11 H 0.8499 0.2638 0.3619 0.054 Uiso 1 1 calc R
C12 C 0.8481(2) 0.3816(2) 0.33589(16) 0.0349(5) Uani 1 1 d .
H12 H 0.8250 0.3968 0.3801 0.042 Uiso 1 1 calc R
C13 C 0.98175(16) 0.64748(17) 0.37677(13) 0.0240(4) Uani 1 1 d .
C14 C 1.01059(17) 0.74895(18) 0.39915(14) 0.0264(4) Uani 1 1 d .
C15 C 1.10996(19) 0.82613(19) 0.44891(15) 0.0322(5) Uani 1 1 d .
H15 H 1.1294 0.8944 0.4622 0.039 Uiso 1 1 calc R
C16 C 1.18097(19) 0.8026(2) 0.47920(15) 0.0354(5) Uani 1 1 d .
H16 H 1.2489 0.8552 0.5131 0.042 Uiso 1 1 calc R
C17 C 1.15338(19) 0.7041(2) 0.46036(15) 0.0350(5) Uani 1 1 d .
H17 H 1.2016 0.6885 0.4821 0.042 Uiso 1 1 calc R
C18 C 1.05456(17) 0.62722(18) 0.40936(14) 0.0282(5) Uani 1 1 d .
H18 H 1.0362 0.5593 0.3964 0.034 Uiso 1 1 calc R
C19 C 0.9621(2) 0.4573(2) 0.10597(16) 0.0390(6) Uani 1 1 d .
H19A H 1.0282 0.4685 0.1346 0.047 Uiso 1 1 calc R
H19B H 0.9718 0.5046 0.0752 0.047 Uiso 1 1 calc R
H19C H 0.9172 0.3880 0.0665 0.047 Uiso 1 1 calc R
C20 C 0.9645(2) 0.8688(2) 0.38984(18) 0.0414(6) Uani 1 1 d .
H20A H 0.9049 0.8710 0.3654 0.062 Uiso 0.50 1 calc PR
H20B H 1.0177 0.9048 0.3667 0.062 Uiso 0.50 1 calc PR
H20C H 0.9904 0.9009 0.4511 0.062 Uiso 0.50 1 calc PR
H20D H 1.0371 0.9134 0.4234 0.062 Uiso 0.50 1 calc PR
H20E H 0.9244 0.8797 0.4221 0.062 Uiso 0.50 1 calc PR
H20F H 0.9516 0.8836 0.3377 0.062 Uiso 0.50 1 calc PR
C21 C 0.66069(17) 0.89001(17) 0.15522(13) 0.0260(4) Uani 1 1 d .
C22 C 0.58423(17) 0.80407(18) 0.08524(14) 0.0262(4) Uani 1 1 d .
C23 C 0.5396(2) 0.8220(2) 0.01664(14) 0.0340(5) Uani 1 1 d .
H23 H 0.4885 0.7659 -0.0317 0.041 Uiso 1 1 calc R
C24 C 0.5669(2) 0.9176(2) 0.01662(16) 0.0397(6) Uani 1 1 d .
H24 H 0.5337 0.9260 -0.0306 0.048 Uiso 1 1 calc R
C25 C 0.6425(2) 1.0009(2) 0.08531(17) 0.0379(6) Uani 1 1 d .
H25 H 0.6622 1.0669 0.0855 0.045 Uiso 1 1 calc R
C26 C 0.6893(2) 0.98669(19) 0.15416(15) 0.0330(5) Uani 1 1 d .
H26 H 0.7417 1.0437 0.2014 0.040 Uiso 1 1 calc R
C27 C 0.85288(17) 0.98657(17) 0.28311(14) 0.0254(4) Uani 1 1 d .
C28 C 0.91705(19) 0.98417(18) 0.23803(15) 0.0300(5) Uani 1 1 d .
C29 C 1.0178(2) 1.0629(2) 0.26385(18) 0.0382(6) Uani 1 1 d .
H29 H 1.0608 1.0597 0.2339 0.046 Uiso 1 1 calc R
C30 C 1.05589(19) 1.1466(2) 0.33376(17) 0.0411(6) Uani 1 1 d .
H30 H 1.1248 1.2010 0.3511 0.049 Uiso 1 1 calc R
C31 C 0.99431(19) 1.1513(2) 0.37815(16) 0.0372(6) Uani 1 1 d .
H31 H 1.0205 1.2089 0.4258 0.045 Uiso 1 1 calc R
C32 C 0.89310(18) 1.07101(18) 0.35262(14) 0.0295(5) Uani 1 1 d .
H32 H 0.8510 1.0744 0.3836 0.035 Uiso 1 1 calc R
C33 C 0.67251(17) 0.90846(16) 0.32690(14) 0.0257(4) Uani 1 1 d .
C34 C 0.70002(18) 0.89884(19) 0.40632(15) 0.0320(5) Uani 1 1 d .
C35 C 0.6563(2) 0.9132(2) 0.46563(16) 0.0404(6) Uani 1 1 d .
H35 H 0.6761 0.9066 0.5187 0.048 Uiso 1 1 calc R
C36 C 0.5840(2) 0.9373(2) 0.44735(18) 0.0427(6) Uani 1 1 d .
H36 H 0.5541 0.9471 0.4879 0.051 Uiso 1 1 calc R
C37 C 0.5550(2) 0.9472(2) 0.37018(19) 0.0409(6) Uani 1 1 d .
H37 H 0.5053 0.9636 0.3575 0.049 Uiso 1 1 calc R
C38 C 0.59948(19) 0.93278(19) 0.31123(16) 0.0336(5) Uani 1 1 d .
H38 H 0.5792 0.9398 0.2584 0.040 Uiso 1 1 calc R
C39 C 0.9240(3) 0.9014(3) 0.1095(2) 0.0527(8) Uani 1 1 d .
H39A H 0.9509 0.9660 0.0996 0.063 Uiso 1 1 calc R
H39B H 0.8764 0.8463 0.0564 0.063 Uiso 1 1 calc R
H39C H 0.9803 0.8936 0.1319 0.063 Uiso 1 1 calc R
C40 C 0.7913(3) 0.8476(3) 0.4922(2) 0.0577(9) Uani 1 1 d .
H40A H 0.8436 0.8317 0.4934 0.087 Uiso 0.50 1 calc PR
H40B H 0.7287 0.7887 0.4906 0.087 Uiso 0.50 1 calc PR
H40C H 0.8156 0.9044 0.5428 0.087 Uiso 0.50 1 calc PR
H40D H 0.7483 0.8515 0.5244 0.087 Uiso 0.50 1 calc PR
H40E H 0.8632 0.8945 0.5273 0.087 Uiso 0.50 1 calc PR
H40F H 0.7763 0.7788 0.4751 0.087 Uiso 0.50 1 calc PR
C41 C 0.87195(17) 0.70602(16) -0.11325(13) 0.0239(4) Uani 1 1 d .
C42 C 0.90700(17) 0.69161(17) -0.03822(14) 0.0259(4) Uani 1 1 d .
C43 C 1.01236(19) 0.75211(19) 0.00559(15) 0.0319(5) Uani 1 1 d .
H43 H 1.0387 0.7430 0.0555 0.038 Uiso 1 1 calc R
C44 C 1.07931(18) 0.82454(19) -0.02126(16) 0.0351(5) Uani 1 1 d .
H44 H 1.1501 0.8640 0.0101 0.042 Uiso 1 1 calc R
C45 C 1.04309(19) 0.83952(19) -0.09389(17) 0.0344(5) Uani 1 1 d .
H45 H 1.0885 0.8902 -0.1119 0.041 Uiso 1 1 calc R
C46 C 0.93960(18) 0.77955(18) -0.14003(16) 0.0307(5) Uani 1 1 d .
H46 H 0.9145 0.7886 -0.1904 0.037 Uiso 1 1 calc R
C47 C 0.71468(17) 0.69294(17) -0.24291(14) 0.0259(4) Uani 1 1 d .
C48 C 0.71710(18) 0.78084(19) -0.20722(16) 0.0326(5) Uani 1 1 d .
C49 C 0.6893(2) 0.8273(2) -0.2575(2) 0.0424(6) Uani 1 1 d .
H49 H 0.6920 0.8870 -0.2328 0.051 Uiso 1 1 calc R
C50 C 0.6576(2) 0.7856(2) -0.3441(2) 0.0442(7) Uani 1 1 d .
H50 H 0.6377 0.8169 -0.3787 0.053 Uiso 1 1 calc R
C51 C 0.6542(2) 0.6999(2) -0.38109(17) 0.0384(6) Uani 1 1 d .
H51 H 0.6326 0.6723 -0.4406 0.046 Uiso 1 1 calc R
C52 C 0.68288(18) 0.65382(19) -0.33016(15) 0.0297(5) Uani 1 1 d .
H52 H 0.6807 0.5946 -0.3556 0.036 Uiso 1 1 calc R
C53 C 0.72076(18) 0.52011(17) -0.24543(14) 0.0266(4) Uani 1 1 d .
C54 C 0.62193(19) 0.43499(18) -0.28794(15) 0.0294(5) Uani 1 1 d .
C55 C 0.6056(2) 0.3471(2) -0.34009(17) 0.0399(6) Uani 1 1 d .
H55 H 0.5383 0.2902 -0.3695 0.048 Uiso 1 1 calc R
C56 C 0.6886(2) 0.3431(2) -0.34887(18) 0.0470(7) Uani 1 1 d .
H56 H 0.6779 0.2826 -0.3830 0.056 Uiso 1 1 calc R
C57 C 0.7866(2) 0.4267(2) -0.30828(18) 0.0449(7) Uani 1 1 d .
H57 H 0.8430 0.4241 -0.3155 0.054 Uiso 1 1 calc R
C58 C 0.8022(2) 0.5144(2) -0.25682(15) 0.0337(5) Uani 1 1 d .
H58 H 0.8697 0.5716 -0.2289 0.040 Uiso 1 1 calc R
C59 C 0.7355(4) 0.8901(4) -0.0806(2) 0.0842(15) Uani 1 1 d .
H59A H 0.7607 0.9061 -0.0196 0.101 Uiso 1 1 calc R
H59B H 0.6630 0.8663 -0.0991 0.101 Uiso 1 1 calc R
H59C H 0.7738 0.9507 -0.0949 0.101 Uiso 1 1 calc R
C60 C 0.44284(19) 0.3636(2) -0.32051(18) 0.0400(6) Uani 1 1 d .
H60A H 0.3958 0.3815 -0.3062 0.048 Uiso 1 1 calc R
H60B H 0.4320 0.3046 -0.3051 0.048 Uiso 1 1 calc R
H60C H 0.4304 0.3480 -0.3811 0.048 Uiso 1 1 calc R
O7 O 0.44354(17) 0.07046(17) 0.30620(17) 0.0603(6) Uani 1 1 d .
C61 C 0.5208(2) 0.1462(2) 0.3123(2) 0.0502(8) Uani 1 1 d .
C62 C 0.5960(3) 0.2196(3) 0.3959(3) 0.0831(14) Uani 1 1 d .
H62A H 0.5719 0.1956 0.4401 0.125 Uiso 0.50 1 calc PR
H62B H 0.6040 0.2851 0.4017 0.125 Uiso 0.50 1 calc PR
H62C H 0.6617 0.2267 0.4013 0.125 Uiso 0.50 1 calc PR
H62D H 0.6532 0.2760 0.3887 0.125 Uiso 0.50 1 calc PR
H62E H 0.6210 0.1865 0.4270 0.125 Uiso 0.50 1 calc PR
H62F H 0.5634 0.2449 0.4274 0.125 Uiso 0.50 1 calc PR
C63 C 0.5458(4) 0.1712(4) 0.2386(3) 0.0920(16) Uani 1 1 d .
H63A H 0.4912 0.1180 0.1870 0.138 Uiso 0.50 1 calc PR
H63B H 0.6100 0.1767 0.2397 0.138 Uiso 0.50 1 calc PR
H63C H 0.5527 0.2355 0.2402 0.138 Uiso 0.50 1 calc PR
H63D H 0.6114 0.2354 0.2576 0.138 Uiso 0.50 1 calc PR
H63E H 0.4926 0.1767 0.2049 0.138 Uiso 0.50 1 calc PR
H63F H 0.5499 0.1180 0.2044 0.138 Uiso 0.50 1 calc PR
O8 O 1.01609(18) 0.81145(19) 0.23034(14) 0.0549(6) Uani 1 1 d .
C64 C 1.0974(2) 0.8183(2) 0.24397(18) 0.0451(7) Uani 1 1 d .
C65 C 1.1053(2) 0.7287(2) 0.23079(19) 0.0465(7) Uani 1 1 d .
H65A H 1.0369 0.6673 0.2086 0.070 Uiso 0.50 1 calc PR
H65B H 1.1434 0.7315 0.2845 0.070 Uiso 0.50 1 calc PR
H65C H 1.1410 0.7282 0.1906 0.070 Uiso 0.50 1 calc PR
H65D H 1.1773 0.7507 0.2472 0.070 Uiso 0.50 1 calc PR
H65E H 1.0708 0.6865 0.1713 0.070 Uiso 0.50 1 calc PR
H65F H 1.0732 0.6898 0.2652 0.070 Uiso 0.50 1 calc PR
C66 C 1.1940(4) 0.9183(3) 0.2775(4) 0.0977(17) Uani 1 1 d .
H66A H 1.2455 0.9166 0.3178 0.117 Uiso 1 1 calc R
H66B H 1.1828 0.9692 0.3057 0.117 Uiso 1 1 calc R
H66C H 1.2176 0.9354 0.2311 0.117 Uiso 1 1 calc R
O9 O 0.7223(2) 0.2755(2) -0.01814(16) 0.0686(7) Uani 1 1 d .
C67 C 0.6761(2) 0.2237(2) -0.0916(2) 0.0480(7) Uani 1 1 d .
C68 C 0.6612(3) 0.2672(3) -0.1586(2) 0.0620(9) Uani 1 1 d .
H68A H 0.6669 0.2336 -0.2093 0.074 Uiso 1 1 calc R
H68B H 0.7133 0.3395 -0.1385 0.074 Uiso 1 1 calc R
H68C H 0.5935 0.2571 -0.1719 0.074 Uiso 1 1 calc R
C69 C 0.6283(3) 0.1123(3) -0.1174(2) 0.0632(9) Uani 1 1 d .
H69A H 0.6433 0.0896 -0.1668 0.076 Uiso 1 1 calc R
H69B H 0.5544 0.0786 -0.1312 0.076 Uiso 1 1 calc R
H69C H 0.6558 0.0955 -0.0710 0.076 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
K K 0.2009 0.2494 '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'
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
F1 K1 F4 119.37(5) . .
F1 K1 F8 125.12(6) . 2_665
F4 K1 F8 105.76(6) . 2_665
F1 K1 F5 106.08(5) . 2_665
F4 K1 F5 128.84(5) . 2_665
F8 K1 F5 59.23(5) 2_665 2_665
F1 K1 F3 47.64(4) . .
F4 K1 F3 86.57(5) . .
F8 K1 F3 167.15(6) 2_665 .
F5 K1 F3 110.25(5) 2_665 .
F1 K1 F6 77.11(5) . 2_665
F4 K1 F6 122.59(5) . 2_665
F8 K1 F6 104.41(5) 2_665 2_665
F5 K1 F6 45.37(4) 2_665 2_665
F3 K1 F6 64.90(4) . 2_665
F1 K1 F6 155.31(5) . .
F4 K1 F6 45.59(4) . .
F8 K1 F6 79.44(5) 2_665 .
F5 K1 F6 83.41(5) 2_665 .
F3 K1 F6 107.80(4) . .
F6 K1 F6 95.44(4) 2_665 .
F1 K1 O6 70.68(5) . 2_665
F4 K1 O6 62.56(5) . 2_665
F8 K1 O6 109.11(5) 2_665 2_665
F5 K1 O6 164.05(5) 2_665 2_665
F3 K1 O6 79.55(4) . 2_665
F6 K1 O6 142.78(5) 2_665 2_665
F6 K1 O6 106.04(5) . 2_665
F1 K1 P3 77.42(4) . 2_665
F4 K1 P3 100.89(4) . 2_665
F8 K1 P3 64.21(4) 2_665 2_665
F5 K1 P3 111.26(4) 2_665 2_665
F3 K1 P3 117.80(3) . 2_665
F6 K1 P3 136.24(4) 2_665 2_665
F6 K1 P3 121.06(4) . 2_665
O6 K1 P3 52.92(3) 2_665 2_665
F1 K1 F5 113.61(5) . .
F4 K1 F5 43.37(5) . .
F8 K1 F5 120.61(5) 2_665 .
F5 K1 F5 98.67(4) 2_665 .
F3 K1 F5 66.09(4) . .
F6 K1 F5 79.22(4) 2_665 .
F6 K1 F5 41.73(4) . .
O6 K1 F5 96.84(5) 2_665 .
P3 K1 F5 144.09(4) 2_665 .
F1 K1 B2 131.61(6) . .
F4 K1 B2 25.30(6) . .
F8 K1 B2 102.54(7) 2_665 .
F5 K1 B2 105.12(6) 2_665 .
F3 K1 B2 87.00(6) . .
F6 K1 B2 100.69(6) 2_665 .
F6 K1 B2 25.86(5) . .
O6 K1 B2 87.54(6) 2_665 .
P3 K1 B2 122.79(5) 2_665 .
F5 K1 B2 25.07(6) . .
F1 K1 B1 22.86(5) . .
F4 K1 B1 105.07(6) . .
F8 K1 B1 146.60(7) 2_665 .
F5 K1 B1 108.75(6) 2_665 .
F3 K1 B1 24.83(5) . .
F6 K1 B1 68.52(6) 2_665 .
F6 K1 B1 132.63(6) . .
O6 K1 B1 74.61(6) 2_665 .
P3 K1 B1 97.51(5) 2_665 .
F5 K1 B1 90.91(5) . .
B2 K1 B1 110.82(7) . .
F8 K2 F3 93.10(6) . .
F8 K2 F5 62.84(6) . .
F3 K2 F5 75.63(5) . .
F8 K2 O8 92.56(6) . .
F3 K2 O8 138.12(6) . .
F5 K2 O8 141.76(6) . .
F8 K2 O3 84.43(6) . .
F3 K2 O3 152.07(5) . .
F5 K2 O3 78.56(6) . .
O8 K2 O3 69.80(6) . .
F8 K2 O2 147.72(6) . .
F3 K2 O2 96.89(5) . .
F5 K2 O2 149.44(5) . .
O8 K2 O2 60.13(6) . .
O3 K2 O2 99.93(5) . .
F8 K2 F7 43.70(6) . .
F3 K2 F7 95.43(5) . .
F5 K2 F7 105.56(5) . .
O8 K2 F7 62.27(6) . .
O3 K2 F7 101.64(5) . .
O2 K2 F7 104.62(5) . .
F8 K2 P2 113.90(5) . .
F3 K2 P2 106.28(4) . .
F5 K2 P2 62.43(4) . .
O8 K2 P2 109.07(5) . .
O3 K2 P2 51.04(4) . .
O2 K2 P2 92.59(3) . .
F7 K2 P2 150.48(4) . .
F8 K2 B3 21.19(7) . .
F3 K2 B3 97.04(6) . .
F5 K2 B3 83.91(6) . .
O8 K2 B3 75.71(7) . .
O3 K2 B3 90.63(6) . .
O2 K2 B3 126.62(6) . .
F7 K2 B3 22.79(6) . .
P2 K2 B3 131.41(5) . .
F8 K2 P1 112.04(5) . .
F3 K2 P1 59.09(3) . .
F5 K2 P1 134.45(4) . .
O8 K2 P1 80.42(5) . .
O3 K2 P1 146.75(5) . .
O2 K2 P1 50.70(3) . .
F7 K2 P1 76.03(4) . .
P2 K2 P1 132.38(2) . .
B3 K2 P1 96.19(5) . .
F8 K2 K3 56.64(5) . .
F3 K2 K3 51.26(3) . .
F5 K2 K3 90.39(4) . .
O8 K2 K3 100.00(5) . .
O3 K2 K3 139.87(4) . .
O2 K2 K3 108.16(4) . .
F7 K2 K3 44.22(4) . .
P2 K2 K3 150.11(2) . .
B3 K2 K3 49.59(5) . .
P1 K2 K3 58.472(14) . .
F8 K2 K1 79.95(5) . .
F3 K2 K1 34.29(3) . .
F5 K2 K1 41.60(4) . .
O8 K2 K1 167.79(5) . .
O3 K2 K1 118.51(4) . .
O2 K2 K1 123.36(4) . .
F7 K2 K1 106.12(4) . .
P2 K2 K1 82.898(16) . .
B3 K2 K1 94.67(5) . .
P1 K2 K1 93.384(16) . .
K3 K2 K1 67.829(13) . .
F2 K3 O9 102.92(8) . .
F2 K3 F6 78.76(5) . 2_665
O9 K3 F6 100.18(6) . 2_665
F2 K3 F7 134.14(6) . .
O9 K3 F7 112.85(9) . .
F6 K3 F7 119.85(6) 2_665 .
F2 K3 F9 162.68(7) . .
O9 K3 F9 87.31(8) . .
F6 K3 F9 85.75(7) 2_665 .
F7 K3 F9 49.45(6) . .
F2 K3 O1 91.48(5) . .
O9 K3 O1 79.58(6) . .
F6 K3 O1 169.97(5) 2_665 .
F7 K3 O1 68.82(6) . .
F9 K3 O1 104.23(7) . .
F2 K3 F3 47.36(4) . .
O9 K3 F3 147.91(7) . .
F6 K3 F3 66.28(4) 2_665 .
F7 K3 F3 98.84(6) . .
F9 K3 F3 118.78(7) . .
O1 K3 F3 108.71(4) . .
F2 K3 B3 148.34(7) . .
O9 K3 B3 108.72(9) . .
F6 K3 B3 96.55(7) 2_665 .
F7 K3 B3 26.53(6) . .
F9 K3 B3 26.21(7) . .
O1 K3 B3 92.99(7) . .
F3 K3 B3 101.88(7) . .
F2 K3 F8 125.18(5) . .
O9 K3 F8 129.67(8) . .
F6 K3 F8 77.94(5) 2_665 .
F7 K3 F8 42.16(6) . .
F9 K3 F8 42.42(6) . .
O1 K3 F8 110.06(5) . .
F3 K3 F8 77.84(4) . .
B3 K3 F8 26.00(7) . .
F2 K3 B1 22.32(6) . .
O9 K3 B1 124.36(8) . .
F6 K3 B1 70.97(6) 2_665 .
F7 K3 B1 118.95(7) . .
F9 K3 B1 142.80(8) . .
O1 K3 B1 100.76(6) . .
F3 K3 B1 25.05(5) . .
B3 K3 B1 126.66(8) . .
F8 K3 B1 102.87(6) . .
F2 K3 C19 111.74(6) . .
O9 K3 C19 64.38(7) . .
F6 K3 C19 162.44(6) 2_665 .
F7 K3 C19 63.62(7) . .
F9 K3 C19 85.21(8) . .
O1 K3 C19 23.56(5) . .
F3 K3 C19 131.25(5) . .
B3 K3 C19 81.69(8) . .
F8 K3 C19 104.92(6) . .
B1 K3 C19 123.96(6) . .
F2 K3 P1 55.57(3) . .
O9 K3 P1 120.99(6) . .
F6 K3 P1 122.46(4) 2_665 .
F7 K3 P1 81.12(4) . .
F9 K3 P1 130.38(4) . .
O1 K3 P1 51.39(3) . .
F3 K3 P1 57.39(3) . .
B3 K3 P1 104.93(5) . .
F8 K3 P1 99.85(4) . .
B1 K3 P1 53.27(5) . .
C19 K3 P1 74.54(4) . .
C13 P1 C1 102.88(10) . .
C13 P1 C7 99.88(10) . .
C1 P1 C7 101.98(10) . .
C13 P1 K2 101.17(7) . .
C1 P1 K2 101.21(7) . .
C7 P1 K2 144.12(7) . .
C13 P1 K3 140.02(7) . .
C1 P1 K3 115.82(7) . .
C7 P1 K3 82.20(7) . .
K2 P1 K3 63.097(15) . .
F1 B1 F2 108.3(2) . .
F1 B1 F3 106.24(19) . .
F2 B1 F3 106.06(19) . .
F1 B1 C2 112.4(2) . .
F2 B1 C2 111.36(19) . .
F3 B1 C2 112.1(2) . .
F1 B1 K3 118.27(15) . .
F3 B1 K3 62.07(11) . .
C2 B1 K3 128.54(15) . .
F1 B1 K1 48.48(11) . .
F2 B1 K1 116.32(14) . .
F3 B1 K1 57.90(11) . .
C2 B1 K1 132.17(16) . .
K3 B1 K1 90.43(6) . .
B1 F1 K1 108.67(14) . .
B1 F2 K3 113.67(13) . .
B1 F3 K2 148.14(13) . .
B1 F3 K1 97.27(12) . .
K2 F3 K1 113.78(5) . .
B1 F3 K3 92.88(13) . .
K2 F3 K3 83.69(4) . .
K1 F3 K3 109.46(5) . .
C8 O1 C19 117.71(19) . .
C8 O1 K3 109.28(13) . .
C19 O1 K3 104.00(14) . .
C14 O2 C20 117.2(2) . .
C14 O2 K2 130.11(13) . .
C20 O2 K2 94.20(14) . .
C27 P2 C33 101.75(10) . .
C27 P2 C21 100.86(10) . .
C33 P2 C21 102.30(10) . .
C27 P2 K2 94.71(7) . .
C33 P2 K2 138.65(8) . .
C21 P2 K2 111.51(7) . .
F4 B2 F5 107.1(2) . .
F4 B2 F6 106.0(2) . .
F5 B2 F6 104.2(2) . .
F4 B2 C22 112.7(2) . .
F5 B2 C22 114.1(2) . .
F6 B2 C22 112.1(2) . .
F4 B2 K1 57.86(12) . .
F5 B2 K1 76.44(14) . .
F6 B2 K1 67.64(12) . .
C22 B2 K1 168.52(17) . .
F4 B2 K1 129.71(16) . 2_665
F5 B2 K1 52.32(11) . 2_665
F6 B2 K1 53.86(11) . 2_665
C22 B2 K1 117.59(15) . 2_665
K1 B2 K1 72.09(6) . 2_665
B2 F4 K1 96.84(14) . .
B2 F5 K2 140.17(14) . .
B2 F5 K1 104.91(13) . 2_665
K2 F5 K1 114.82(6) . 2_665
B2 F5 K1 78.49(14) . .
K2 F5 K1 104.00(6) . .
K1 F5 K1 81.33(4) 2_665 .
B2 F6 K3 137.04(15) . 2_665
B2 F6 K1 102.91(14) . 2_665
K3 F6 K1 119.20(5) 2_665 2_665
B2 F6 K1 86.50(13) . .
K3 F6 K1 104.58(5) 2_665 .
K1 F6 K1 84.56(4) 2_665 .
C28 O3 C39 117.7(2) . .
C28 O3 K2 120.42(14) . .
C39 O3 K2 105.09(16) . .
C34 O4 C40 118.1(2) . .
C47 P3 C53 101.09(10) . .
C47 P3 C41 104.55(10) . .
C53 P3 C41 102.41(10) . .
C47 P3 K1 113.91(7) . 2_665
C53 P3 K1 106.72(8) . 2_665
C41 P3 K1 125.07(7) . 2_665
F9 B3 F7 110.1(2) . .
F9 B3 F8 104.0(3) . .
F7 B3 F8 102.1(2) . .
F9 B3 C42 114.8(2) . .
F7 B3 C42 113.3(2) . .
F8 B3 C42 111.5(2) . .
F9 B3 K3 61.11(13) . .
F7 B3 K3 59.88(13) . .
F8 B3 K3 82.44(15) . .
C42 B3 K3 165.9(2) . .
F9 B3 K2 124.04(19) . .
F7 B3 K2 60.25(16) . .
C42 B3 K2 119.18(16) . .
K3 B3 K2 69.54(6) . .
B3 F7 K3 93.59(15) . .
B3 F7 K2 96.97(18) . .
K3 F7 K2 81.94(6) . .
B3 F8 K2 116.18(16) . .
B3 F8 K1 121.02(16) . 2_665
K2 F8 K1 117.01(7) . 2_665
B3 F8 K3 71.56(15) . .
K2 F8 K3 79.57(5) . .
K1 F8 K3 94.89(6) 2_665 .
B3 F9 K3 92.69(15) . .
C48 O5 C59 118.6(2) . .
C54 O6 C60 117.7(2) . .
C54 O6 K1 119.63(14) . 2_665
C60 O6 K1 107.63(15) . 2_665
C6 C1 C2 120.6(2) . .
C6 C1 P1 121.36(18) . .
C2 C1 P1 118.06(16) . .
C3 C2 C1 117.0(2) . .
C3 C2 B1 119.2(2) . .
C1 C2 B1 123.7(2) . .
C4 C3 C2 122.2(2) . .
C4 C3 H3 118.9 . .
C2 C3 H3 118.9 . .
C5 C4 C3 120.0(2) . .
C5 C4 H4 120.0 . .
C3 C4 H4 120.0 . .
C4 C5 C6 119.4(2) . .
C4 C5 H5 120.3 . .
C6 C5 H5 120.3 . .
C5 C6 C1 120.8(2) . .
C5 C6 H6 119.6 . .
C1 C6 H6 119.6 . .
C12 C7 C8 117.6(2) . .
C12 C7 P1 123.35(18) . .
C8 C7 P1 119.06(17) . .
O1 C8 C9 123.0(2) . .
O1 C8 C7 116.0(2) . .
C9 C8 C7 121.0(2) . .
C10 C9 C8 119.7(2) . .
C10 C9 H9 120.2 . .
C8 C9 H9 120.2 . .
C11 C10 C9 120.8(3) . .
C11 C10 H10 119.6 . .
C9 C10 H10 119.6 . .
C10 C11 C12 119.3(3) . .
C10 C11 H11 120.4 . .
C12 C11 H11 120.4 . .
C11 C12 C7 121.7(2) . .
C11 C12 H12 119.1 . .
C7 C12 H12 119.1 . .
C18 C13 C14 117.8(2) . .
C18 C13 P1 123.02(17) . .
C14 C13 P1 118.87(17) . .
O2 C14 C15 122.9(2) . .
O2 C14 C13 116.4(2) . .
C15 C14 C13 120.7(2) . .
C14 C15 C16 119.6(2) . .
C14 C15 H15 120.2 . .
C16 C15 H15 120.2 . .
C17 C16 C15 120.5(2) . .
C17 C16 H16 119.7 . .
C15 C16 H16 119.7 . .
C16 C17 C18 119.7(2) . .
C16 C17 H17 120.1 . .
C18 C17 H17 120.1 . .
C17 C18 C13 121.6(2) . .
C17 C18 H18 119.2 . .
C13 C18 H18 119.2 . .
O1 C19 K3 52.43(12) . .
O1 C19 H19A 109.5 . .
K3 C19 H19A 161.9 . .
O1 C19 H19B 109.5 . .
K3 C19 H19B 80.3 . .
H19A C19 H19B 109.5 . .
O1 C19 H19C 109.5 . .
K3 C19 H19C 80.1 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
O2 C20 H20A 109.5 . .
O2 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
O2 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
O2 C20 H20D 109.5 . .
H20A C20 H20D 141.1 . .
H20B C20 H20D 56.3 . .
H20C C20 H20D 56.3 . .
O2 C20 H20E 109.5 . .
H20A C20 H20E 56.3 . .
H20B C20 H20E 141.1 . .
H20C C20 H20E 56.3 . .
H20D C20 H20E 109.5 . .
O2 C20 H20F 109.5 . .
H20A C20 H20F 56.3 . .
H20B C20 H20F 56.3 . .
H20C C20 H20F 141.1 . .
H20D C20 H20F 109.5 . .
H20E C20 H20F 109.5 . .
C26 C21 C22 120.5(2) . .
C26 C21 P2 120.05(17) . .
C22 C21 P2 119.43(17) . .
C23 C22 C21 116.3(2) . .
C23 C22 B2 120.1(2) . .
C21 C22 B2 123.5(2) . .
C24 C23 C22 122.8(2) . .
C24 C23 H23 118.6 . .
C22 C23 H23 118.6 . .
C25 C24 C23 120.1(2) . .
C25 C24 H24 120.0 . .
C23 C24 H24 120.0 . .
C24 C25 C26 119.0(2) . .
C24 C25 H25 120.5 . .
C26 C25 H25 120.5 . .
C25 C26 C21 121.2(2) . .
C25 C26 H26 119.4 . .
C21 C26 H26 119.4 . .
C32 C27 C28 118.0(2) . .
C32 C27 P2 124.77(18) . .
C28 C27 P2 117.16(17) . .
O3 C28 C29 124.1(2) . .
O3 C28 C27 115.0(2) . .
C29 C28 C27 120.9(2) . .
C28 C29 C30 119.7(2) . .
C28 C29 H29 120.1 . .
C30 C29 H29 120.1 . .
C31 C30 C29 120.5(2) . .
C31 C30 H30 119.8 . .
C29 C30 H30 119.8 . .
C30 C31 C32 119.6(2) . .
C30 C31 H31 120.2 . .
C32 C31 H31 120.2 . .
C27 C32 C31 121.3(2) . .
C27 C32 H32 119.3 . .
C31 C32 H32 119.3 . .
C38 C33 C34 116.6(2) . .
C38 C33 P2 124.73(18) . .
C34 C33 P2 118.24(18) . .
O4 C34 C35 123.7(2) . .
O4 C34 C33 114.9(2) . .
C35 C34 C33 121.5(2) . .
C36 C35 C34 119.9(3) . .
C36 C35 H35 120.0 . .
C34 C35 H35 120.0 . .
C35 C36 C37 120.3(3) . .
C35 C36 H36 119.9 . .
C37 C36 H36 119.9 . .
C36 C37 C38 119.4(3) . .
C36 C37 H37 120.3 . .
C38 C37 H37 120.3 . .
C33 C38 C37 122.4(2) . .
C33 C38 H38 118.8 . .
C37 C38 H38 118.8 . .
O3 C39 H39A 109.5 . .
O3 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
O3 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
O4 C40 H40A 109.5 . .
O4 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
O4 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
O4 C40 H40D 109.5 . .
H40A C40 H40D 141.1 . .
H40B C40 H40D 56.3 . .
H40C C40 H40D 56.3 . .
O4 C40 H40E 109.5 . .
H40A C40 H40E 56.3 . .
H40B C40 H40E 141.1 . .
H40C C40 H40E 56.3 . .
H40D C40 H40E 109.5 . .
O4 C40 H40F 109.5 . .
H40A C40 H40F 56.3 . .
H40B C40 H40F 56.3 . .
H40C C40 H40F 141.1 . .
H40D C40 H40F 109.5 . .
H40E C40 H40F 109.5 . .
C46 C41 C42 120.8(2) . .
C46 C41 P3 121.47(17) . .
C42 C41 P3 117.74(16) . .
C43 C42 C41 116.7(2) . .
C43 C42 B3 119.2(2) . .
C41 C42 B3 124.2(2) . .
C44 C43 C42 122.5(2) . .
C44 C43 H43 118.8 . .
C42 C43 H43 118.8 . .
C43 C44 C45 120.0(2) . .
C43 C44 H44 120.0 . .
C45 C44 H44 120.0 . .
C44 C45 C46 119.2(2) . .
C44 C45 H45 120.4 . .
C46 C45 H45 120.4 . .
C45 C46 C41 120.8(2) . .
C45 C46 H46 119.6 . .
C41 C46 H46 119.6 . .
C52 C47 C48 117.9(2) . .
C52 C47 P3 124.38(18) . .
C48 C47 P3 116.95(18) . .
O5 C48 C49 124.4(2) . .
O5 C48 C47 114.6(2) . .
C49 C48 C47 121.0(2) . .
C50 C49 C48 119.3(3) . .
C50 C49 H49 120.4 . .
C48 C49 H49 120.4 . .
C51 C50 C49 121.3(3) . .
C51 C50 H50 119.4 . .
C49 C50 H50 119.4 . .
C50 C51 C52 119.2(3) . .
C50 C51 H51 120.4 . .
C52 C51 H51 120.4 . .
C47 C52 C51 121.3(2) . .
C47 C52 H52 119.3 . .
C51 C52 H52 119.3 . .
C58 C53 C54 118.3(2) . .
C58 C53 P3 124.27(18) . .
C54 C53 P3 117.30(17) . .
O6 C54 C55 123.9(2) . .
O6 C54 C53 115.2(2) . .
C55 C54 C53 120.9(2) . .
C56 C55 C54 119.5(3) . .
C56 C55 H55 120.3 . .
C54 C55 H55 120.3 . .
C57 C56 C55 120.5(3) . .
C57 C56 H56 119.8 . .
C55 C56 H56 119.8 . .
C56 C57 C58 119.7(3) . .
C56 C57 H57 120.2 . .
C58 C57 H57 120.2 . .
C57 C58 C53 121.2(2) . .
C57 C58 H58 119.4 . .
C53 C58 H58 119.4 . .
O5 C59 H59A 109.5 . .
O5 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
O5 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
O6 C60 H60A 109.5 . .
O6 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
O6 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
O7 C61 C63 122.8(3) . .
O7 C61 C62 120.9(4) . .
C63 C61 C62 116.3(3) . .
C61 C62 H62A 109.5 . .
C61 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
C61 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
C61 C62 H62D 109.5 . .
H62A C62 H62D 141.1 . .
H62B C62 H62D 56.3 . .
H62C C62 H62D 56.3 . .
C61 C62 H62E 109.5 . .
H62A C62 H62E 56.3 . .
H62B C62 H62E 141.1 . .
H62C C62 H62E 56.3 . .
H62D C62 H62E 109.5 . .
C61 C62 H62F 109.5 . .
H62A C62 H62F 56.3 . .
H62B C62 H62F 56.3 . .
H62C C62 H62F 141.1 . .
H62D C62 H62F 109.5 . .
H62E C62 H62F 109.5 . .
C61 C63 H63A 109.5 . .
C61 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
C61 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
C61 C63 H63D 109.5 . .
H63A C63 H63D 141.1 . .
H63B C63 H63D 56.3 . .
H63C C63 H63D 56.3 . .
C61 C63 H63E 109.5 . .
H63A C63 H63E 56.3 . .
H63B C63 H63E 141.1 . .
H63C C63 H63E 56.3 . .
H63D C63 H63E 109.5 . .
C61 C63 H63F 109.5 . .
H63A C63 H63F 56.3 . .
H63B C63 H63F 56.3 . .
H63C C63 H63F 141.1 . .
H63D C63 H63F 109.5 . .
H63E C63 H63F 109.5 . .
C64 O8 K2 153.3(2) . .
O8 C64 C66 120.5(4) . .
O8 C64 C65 122.5(3) . .
C66 C64 C65 117.0(3) . .
C64 C65 H65A 109.5 . .
C64 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
C64 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
C64 C65 H65D 109.5 . .
H65A C65 H65D 141.1 . .
H65B C65 H65D 56.3 . .
H65C C65 H65D 56.3 . .
C64 C65 H65E 109.5 . .
H65A C65 H65E 56.3 . .
H65B C65 H65E 141.1 . .
H65C C65 H65E 56.3 . .
H65D C65 H65E 109.5 . .
C64 C65 H65F 109.5 . .
H65A C65 H65F 56.3 . .
H65B C65 H65F 56.3 . .
H65C C65 H65F 141.1 . .
H65D C65 H65F 109.5 . .
H65E C65 H65F 109.5 . .
C64 C66 H66A 109.5 . .
C64 C66 H66B 109.5 . .
H66A C66 H66B 109.5 . .
C64 C66 H66C 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
C67 O9 K3 129.3(2) . .
O9 C67 C69 120.1(3) . .
O9 C67 C68 122.0(3) . .
C69 C67 C68 117.9(3) . .
C67 C68 H68A 109.5 . .
C67 C68 H68B 109.5 . .
H68A C68 H68B 109.5 . .
C67 C68 H68C 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
C67 C69 H69A 109.5 . .
C67 C69 H69B 109.5 . .
H69A C69 H69B 109.5 . .
C67 C69 H69C 109.5 . .
H69A C69 H69C 109.5 . .
H69B C69 H69C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
K1 F1 2.7018(16) .
K1 F4 2.7894(18) .
K1 F8 2.877(2) 2_665
K1 F5 2.8921(18) 2_665
K1 F3 2.9196(15) .
K1 F6 2.9256(17) 2_665
K1 F6 3.0304(16) .
K1 O6 3.1776(19) 2_665
K1 P3 3.2277(8) 2_665
K1 F5 3.245(2) .
K1 B2 3.271(3) .
K1 B1 3.419(3) .
K2 F8 2.708(2) .
K2 F3 2.7400(15) .
K2 F5 2.7606(17) .
K2 O8 2.887(2) .
K2 O3 2.938(2) .
K2 O2 3.0683(18) .
K2 F7 3.139(3) .
K2 P2 3.5686(8) .
K2 B3 3.588(3) .
K2 P1 3.6769(8) .
K2 K3 3.8485(8) .
K3 F2 2.5900(15) .
K3 O9 2.676(3) .
K3 F6 2.6958(16) 2_665
K3 F7 2.711(2) .
K3 F9 2.741(2) .
K3 O1 2.8542(18) .
K3 F3 3.0203(16) .
K3 B3 3.128(3) .
K3 F8 3.268(2) .
K3 B1 3.414(3) .
K3 C19 3.494(3) .
K3 P1 3.6785(7) .
P1 C13 1.838(2) .
P1 C1 1.840(2) .
P1 C7 1.843(2) .
B1 F1 1.402(3) .
B1 F2 1.416(3) .
B1 F3 1.447(3) .
B1 C2 1.621(3) .
O1 C8 1.375(3) .
O1 C19 1.439(3) .
O2 C14 1.368(3) .
O2 C20 1.435(3) .
P2 C27 1.836(2) .
P2 C33 1.844(2) .
P2 C21 1.845(2) .
B2 F4 1.408(3) .
B2 F5 1.414(3) .
B2 F6 1.429(3) .
B2 C22 1.617(4) .
B2 K1 3.531(3) 2_665
F5 K1 2.8921(18) 2_665
F6 K3 2.6958(16) 2_665
F6 K1 2.9256(17) 2_665
O3 C28 1.376(3) .
O3 C39 1.435(3) .
O4 C34 1.365(3) .
O4 C40 1.433(3) .
P3 C47 1.825(2) .
P3 C53 1.829(2) .
P3 C41 1.839(2) .
P3 K1 3.2277(8) 2_665
B3 F9 1.383(3) .
B3 F7 1.400(3) .
B3 F8 1.445(4) .
B3 C42 1.617(4) .
F8 K1 2.877(2) 2_665
O5 C48 1.367(3) .
O5 C59 1.411(4) .
O6 C54 1.368(3) .
O6 C60 1.430(3) .
O6 K1 3.1776(19) 2_665
C1 C6 1.401(3) .
C1 C2 1.411(3) .
C2 C3 1.403(3) .
C3 C4 1.391(4) .
C3 H3 0.9500 .
C4 C5 1.384(4) .
C4 H4 0.9500 .
C5 C6 1.392(4) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C12 1.395(3) .
C7 C8 1.405(3) .
C8 C9 1.390(3) .
C9 C10 1.384(4) .
C9 H9 0.9500 .
C10 C11 1.378(4) .
C10 H10 0.9500 .
C11 C12 1.390(4) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C18 1.395(3) .
C13 C14 1.410(3) .
C14 C15 1.392(3) .
C15 C16 1.397(4) .
C15 H15 0.9500 .
C16 C17 1.373(4) .
C16 H16 0.9500 .
C17 C18 1.390(3) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C20 H20D 0.9800 .
C20 H20E 0.9800 .
C20 H20F 0.9800 .
C21 C26 1.400(3) .
C21 C22 1.413(3) .
C22 C23 1.407(3) .
C23 C24 1.382(4) .
C23 H23 0.9500 .
C24 C25 1.382(4) .
C24 H24 0.9500 .
C25 C26 1.390(3) .
C25 H25 0.9500 .
C26 H26 0.9500 .
C27 C32 1.385(3) .
C27 C28 1.411(3) .
C28 C29 1.385(4) .
C29 C30 1.389(4) .
C29 H29 0.9500 .
C30 C31 1.379(4) .
C30 H30 0.9500 .
C31 C32 1.397(3) .
C31 H31 0.9500 .
C32 H32 0.9500 .
C33 C38 1.392(3) .
C33 C34 1.413(3) .
C34 C35 1.389(4) .
C35 C36 1.381(4) .
C35 H35 0.9500 .
C36 C37 1.383(4) .
C36 H36 0.9500 .
C37 C38 1.393(4) .
C37 H37 0.9500 .
C38 H38 0.9500 .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C40 H40D 0.9800 .
C40 H40E 0.9800 .
C40 H40F 0.9800 .
C41 C46 1.397(3) .
C41 C42 1.411(3) .
C42 C43 1.404(3) .
C43 C44 1.384(4) .
C43 H43 0.9500 .
C44 C45 1.386(4) .
C44 H44 0.9500 .
C45 C46 1.389(3) .
C45 H45 0.9500 .
C46 H46 0.9500 .
C47 C52 1.391(3) .
C47 C48 1.408(3) .
C48 C49 1.386(4) .
C49 C50 1.386(4) .
C49 H49 0.9500 .
C50 C51 1.374(4) .
C50 H50 0.9500 .
C51 C52 1.395(4) .
C51 H51 0.9500 .
C52 H52 0.9500 .
C53 C58 1.394(3) .
C53 C54 1.402(3) .
C54 C55 1.392(3) .
C55 C56 1.391(4) .
C55 H55 0.9500 .
C56 C57 1.382(4) .
C56 H56 0.9500 .
C57 C58 1.390(4) .
C57 H57 0.9500 .
C58 H58 0.9500 .
C59 H59A 0.9800 .
C59 H59B 0.9800 .
C59 H59C 0.9800 .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
O7 C61 1.209(4) .
C61 C63 1.474(6) .
C61 C62 1.482(5) .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C62 H62D 0.9800 .
C62 H62E 0.9800 .
C62 H62F 0.9800 .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
C63 H63D 0.9800 .
C63 H63E 0.9800 .
C63 H63F 0.9800 .
O8 C64 1.215(4) .
C64 C66 1.480(5) .
C64 C65 1.487(4) .
C65 H65A 0.9800 .
C65 H65B 0.9800 .
C65 H65C 0.9800 .
C65 H65D 0.9800 .
C65 H65E 0.9800 .
C65 H65F 0.9800 .
C66 H66A 0.9800 .
C66 H66B 0.9800 .
C66 H66C 0.9800 .
O9 C67 1.212(4) .
C67 C69 1.494(5) .
C67 C68 1.497(5) .
C68 H68A 0.9800 .
C68 H68B 0.9800 .
C68 H68C 0.9800 .
C69 H69A 0.9800 .
C69 H69B 0.9800 .
C69 H69C 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
F1 K1 K2 F8 118.34(6) . .
F4 K1 K2 F8 -108.96(6) . .
F8 K1 K2 F8 -45.62(15) 2_665 .
F5 K1 K2 F8 15.03(7) 2_665 .
F3 K1 K2 F8 110.94(8) . .
F6 K1 K2 F8 38.42(6) 2_665 .
F6 K1 K2 F8 -62.39(6) . .
O6 K1 K2 F8 -170.37(6) 2_665 .
P3 K1 K2 F8 176.90(6) 2_665 .
F5 K1 K2 F8 -60.09(7) . .
B2 K1 K2 F8 -79.73(8) . .
B1 K1 K2 F8 114.61(8) . .
F1 K1 K2 F3 7.39(6) . .
F4 K1 K2 F3 140.10(7) . .
F8 K1 K2 F3 -156.57(13) 2_665 .
F5 K1 K2 F3 -95.91(7) 2_665 .
F6 K1 K2 F3 -72.52(6) 2_665 .
F6 K1 K2 F3 -173.33(7) . .
O6 K1 K2 F3 78.69(7) 2_665 .
P3 K1 K2 F3 65.95(6) 2_665 .
F5 K1 K2 F3 -171.04(8) . .
B2 K1 K2 F3 169.33(8) . .
B1 K1 K2 F3 3.66(8) . .
F1 K1 K2 F5 178.43(7) . .
F4 K1 K2 F5 -48.87(7) . .
F8 K1 K2 F5 14.47(12) 2_665 .
F5 K1 K2 F5 75.12(7) 2_665 .
F3 K1 K2 F5 171.04(8) . .
F6 K1 K2 F5 98.52(6) 2_665 .
F6 K1 K2 F5 -2.29(6) . .
O6 K1 K2 F5 -110.27(6) 2_665 .
P3 K1 K2 F5 -123.01(6) 2_665 .
B2 K1 K2 F5 -19.63(8) . .
B1 K1 K2 F5 174.70(8) . .
F1 K1 K2 O8 65.6(2) . .
F4 K1 K2 O8 -161.7(2) . .
F8 K1 K2 O8 -98.4(3) 2_665 .
F5 K1 K2 O8 -37.7(2) 2_665 .
F3 K1 K2 O8 58.2(2) . .
F6 K1 K2 O8 -14.4(2) 2_665 .
F6 K1 K2 O8 -115.2(2) . .
O6 K1 K2 O8 136.9(2) 2_665 .
P3 K1 K2 O8 124.1(2) 2_665 .
F5 K1 K2 O8 -112.9(2) . .
B2 K1 K2 O8 -132.5(2) . .
B1 K1 K2 O8 61.8(2) . .
F1 K1 K2 O3 -163.70(6) . .
F4 K1 K2 O3 -30.99(6) . .
F8 K1 K2 O3 32.34(12) 2_665 .
F5 K1 K2 O3 93.00(6) 2_665 .
F3 K1 K2 O3 -171.09(7) . .
F6 K1 K2 O3 116.39(5) 2_665 .
F6 K1 K2 O3 15.58(5) . .
O6 K1 K2 O3 -92.40(6) 2_665 .
P3 K1 K2 O3 -105.13(5) 2_665 .
F5 K1 K2 O3 17.88(7) . .
B2 K1 K2 O3 -1.76(7) . .
B1 K1 K2 O3 -167.43(7) . .
F1 K1 K2 O2 -37.34(6) . .
F4 K1 K2 O2 95.36(6) . .
F8 K1 K2 O2 158.69(12) 2_665 .
F5 K1 K2 O2 -140.65(6) 2_665 .
F3 K1 K2 O2 -44.74(7) . .
F6 K1 K2 O2 -117.26(5) 2_665 .
F6 K1 K2 O2 141.93(5) . .
O6 K1 K2 O2 33.95(5) 2_665 .
P3 K1 K2 O2 21.22(5) 2_665 .
F5 K1 K2 O2 144.23(7) . .
B2 K1 K2 O2 124.59(7) . .
B1 K1 K2 O2 -41.07(7) . .
F1 K1 K2 F7 82.97(5) . .
F4 K1 K2 F7 -144.32(5) . .
F8 K1 K2 F7 -80.99(12) 2_665 .
F5 K1 K2 F7 -20.33(5) 2_665 .
F3 K1 K2 F7 75.58(7) . .
F6 K1 K2 F7 3.06(5) 2_665 .
F6 K1 K2 F7 -97.75(5) . .
O6 K1 K2 F7 154.27(5) 2_665 .
P3 K1 K2 F7 141.53(4) 2_665 .
F5 K1 K2 F7 -95.46(7) . .
B2 K1 K2 F7 -115.09(7) . .
B1 K1 K2 F7 79.24(7) . .
F1 K1 K2 P2 -125.77(4) . .
F4 K1 K2 P2 6.94(4) . .
F8 K1 K2 P2 70.27(11) 2_665 .
F5 K1 K2 P2 130.93(4) 2_665 .
F3 K1 K2 P2 -133.16(6) . .
F6 K1 K2 P2 154.32(4) 2_665 .
F6 K1 K2 P2 53.51(3) . .
O6 K1 K2 P2 -54.47(4) 2_665 .
P3 K1 K2 P2 -67.21(3) 2_665 .
F5 K1 K2 P2 55.80(5) . .
B2 K1 K2 P2 36.17(6) . .
B1 K1 K2 P2 -129.50(6) . .
F1 K1 K2 B3 103.04(6) . .
F4 K1 K2 B3 -124.26(6) . .
F8 K1 K2 B3 -60.92(12) 2_665 .
F5 K1 K2 B3 -0.27(6) 2_665 .
F3 K1 K2 B3 95.65(8) . .
F6 K1 K2 B3 23.13(6) 2_665 .
F6 K1 K2 B3 -77.68(6) . .
O6 K1 K2 B3 174.34(6) 2_665 .
P3 K1 K2 B3 161.60(6) 2_665 .
F5 K1 K2 B3 -75.39(7) . .
B2 K1 K2 B3 -95.02(8) . .
B1 K1 K2 B3 99.31(8) . .
F1 K1 K2 P1 6.54(4) . .
F4 K1 K2 P1 139.24(4) . .
F8 K1 K2 P1 -157.42(11) 2_665 .
F5 K1 K2 P1 -96.77(4) 2_665 .
F3 K1 K2 P1 -0.85(6) . .
F6 K1 K2 P1 -73.37(4) 2_665 .
F6 K1 K2 P1 -174.18(3) . .
O6 K1 K2 P1 77.84(4) 2_665 .
P3 K1 K2 P1 65.10(3) 2_665 .
F5 K1 K2 P1 -171.89(6) . .
B2 K1 K2 P1 168.48(6) . .
B1 K1 K2 P1 2.81(6) . .
F1 K1 K2 K3 60.40(4) . .
F4 K1 K2 K3 -166.89(4) . .
F8 K1 K2 K3 -103.56(11) 2_665 .
F5 K1 K2 K3 -42.90(4) 2_665 .
F3 K1 K2 K3 53.01(6) . .
F6 K1 K2 K3 -19.51(3) 2_665 .
F6 K1 K2 K3 -120.32(3) . .
O6 K1 K2 K3 131.70(4) 2_665 .
P3 K1 K2 K3 118.96(3) 2_665 .
F5 K1 K2 K3 -118.03(6) . .
B2 K1 K2 K3 -137.66(6) . .
B1 K1 K2 K3 56.67(6) . .
F8 K2 P1 C13 121.68(8) . .
F3 K2 P1 C13 -158.36(8) . .
F5 K2 P1 C13 -165.34(9) . .
O8 K2 P1 C13 32.80(8) . .
O3 K2 P1 C13 6.43(10) . .
O2 K2 P1 C13 -26.23(8) . .
F7 K2 P1 C13 96.42(8) . .
P2 K2 P1 C13 -74.33(7) . .
B3 K2 P1 C13 107.13(9) . .
K3 K2 P1 C13 140.87(7) . .
K1 K2 P1 C13 -157.80(7) . .
F8 K2 P1 C1 -132.60(9) . .
F3 K2 P1 C1 -52.65(8) . .
F5 K2 P1 C1 -59.63(9) . .
O8 K2 P1 C1 138.51(9) . .
O3 K2 P1 C1 112.14(10) . .
O2 K2 P1 C1 79.48(9) . .
F7 K2 P1 C1 -157.86(8) . .
P2 K2 P1 C1 31.39(8) . .
B3 K2 P1 C1 -147.16(9) . .
K3 K2 P1 C1 -113.41(8) . .
K1 K2 P1 C1 -52.09(8) . .
F8 K2 P1 C7 -3.17(14) . .
F3 K2 P1 C7 76.79(13) . .
F5 K2 P1 C7 69.81(14) . .
O8 K2 P1 C7 -92.05(13) . .
O3 K2 P1 C7 -118.42(14) . .
O2 K2 P1 C7 -151.09(13) . .
F7 K2 P1 C7 -28.43(13) . .
P2 K2 P1 C7 160.82(12) . .
B3 K2 P1 C7 -17.73(14) . .
K3 K2 P1 C7 16.02(12) . .
K1 K2 P1 C7 77.35(13) . .
F8 K2 P1 K3 -19.19(5) . .
F3 K2 P1 K3 60.77(4) . .
F5 K2 P1 K3 53.79(6) . .
O8 K2 P1 K3 -108.07(5) . .
O3 K2 P1 K3 -134.44(7) . .
O2 K2 P1 K3 -167.10(5) . .
F7 K2 P1 K3 -44.45(4) . .
P2 K2 P1 K3 144.80(3) . .
B3 K2 P1 K3 -33.74(5) . .
K1 K2 P1 K3 61.329(14) . .
F2 K3 P1 C13 174.18(12) . .
O9 K3 P1 C13 89.66(14) . .
F6 K3 P1 C13 -141.56(12) 2_665 .
F7 K3 P1 C13 -21.72(13) . .
F9 K3 P1 C13 -26.36(15) . .
O1 K3 P1 C13 48.21(12) . .
F3 K3 P1 C13 -128.25(12) . .
B3 K3 P1 C13 -33.53(14) . .
F8 K3 P1 C13 -59.66(12) . .
B1 K3 P1 C13 -158.43(13) . .
C19 K3 P1 C13 43.23(13) . .
F2 K3 P1 C1 -21.50(9) . .
O9 K3 P1 C1 -106.02(11) . .
F6 K3 P1 C1 22.76(10) 2_665 .
F7 K3 P1 C1 142.60(10) . .
F9 K3 P1 C1 137.96(12) . .
O1 K3 P1 C1 -147.47(10) . .
F3 K3 P1 C1 36.07(9) . .
B3 K3 P1 C1 130.79(11) . .
F8 K3 P1 C1 104.66(9) . .
B1 K3 P1 C1 5.89(10) . .
C19 K3 P1 C1 -152.45(10) . .
F2 K3 P1 C7 78.08(8) . .
O9 K3 P1 C7 -6.44(11) . .
F6 K3 P1 C7 122.34(8) 2_665 .
F7 K3 P1 C7 -117.82(9) . .
F9 K3 P1 C7 -122.46(11) . .
O1 K3 P1 C7 -47.89(8) . .
F3 K3 P1 C7 135.65(8) . .
B3 K3 P1 C7 -129.63(10) . .
F8 K3 P1 C7 -155.76(8) . .
B1 K3 P1 C7 105.48(9) . .
C19 K3 P1 C7 -52.87(9) . .
F2 K3 P1 K2 -111.31(4) . .
O9 K3 P1 K2 164.17(8) . .
F6 K3 P1 K2 -67.05(4) 2_665 .
F7 K3 P1 K2 52.79(6) . .
F9 K3 P1 K2 48.15(9) . .
O1 K3 P1 K2 122.72(5) . .
F3 K3 P1 K2 -53.75(3) . .
B3 K3 P1 K2 40.97(7) . .
F8 K3 P1 K2 14.85(4) . .
B1 K3 P1 K2 -83.92(6) . .
C19 K3 P1 K2 117.74(5) . .
F2 K3 B1 F1 -87.5(2) . .
O9 K3 B1 F1 -69.7(2) . .
F6 K3 B1 F1 19.75(16) 2_665 .
F7 K3 B1 F1 134.01(17) . .
F9 K3 B1 F1 74.0(2) . .
O1 K3 B1 F1 -154.36(17) . .
F3 K3 B1 F1 94.3(2) . .
B3 K3 B1 F1 103.65(18) . .
F8 K3 B1 F1 91.96(18) . .
C19 K3 B1 F1 -149.86(16) . .
P1 K3 B1 F1 -175.3(2) . .
O9 K3 B1 F2 17.84(17) . .
F6 K3 B1 F2 107.30(14) 2_665 .
F7 K3 B1 F2 -138.44(13) . .
F9 K3 B1 F2 161.57(13) . .
O1 K3 B1 F2 -66.82(14) . .
F3 K3 B1 F2 -178.2(2) . .
B3 K3 B1 F2 -168.81(13) . .
F8 K3 B1 F2 179.51(13) . .
C19 K3 B1 F2 -62.31(16) . .
P1 K3 B1 F2 -87.71(14) . .
F2 K3 B1 F3 178.2(2) . .
O9 K3 B1 F3 -163.97(11) . .
F6 K3 B1 F3 -74.51(11) 2_665 .
F7 K3 B1 F3 39.75(14) . .
F9 K3 B1 F3 -20.24(18) . .
O1 K3 B1 F3 111.38(12) . .
B3 K3 B1 F3 9.39(16) . .
F8 K3 B1 F3 -2.30(13) . .
C19 K3 B1 F3 115.88(12) . .
P1 K3 B1 F3 90.48(12) . .
F2 K3 B1 C2 81.1(2) . .
O9 K3 B1 C2 99.0(2) . .
F6 K3 B1 C2 -171.6(2) 2_665 .
F7 K3 B1 C2 -57.3(2) . .
F9 K3 B1 C2 -117.31(19) . .
O1 K3 B1 C2 14.3(2) . .
F3 K3 B1 C2 -97.1(2) . .
B3 K3 B1 C2 -87.7(2) . .
F8 K3 B1 C2 -99.4(2) . .
C19 K3 B1 C2 18.8(2) . .
P1 K3 B1 C2 -6.59(17) . .
F2 K3 B1 K1 -129.07(16) . .
O9 K3 B1 K1 -111.23(8) . .
F6 K3 B1 K1 -21.77(5) 2_665 .
F7 K3 B1 K1 92.49(7) . .
F9 K3 B1 K1 32.50(13) . .
O1 K3 B1 K1 164.11(5) . .
F3 K3 B1 K1 52.74(10) . .
B3 K3 B1 K1 62.12(10) . .
F8 K3 B1 K1 50.44(7) . .
C19 K3 B1 K1 168.61(7) . .
P1 K3 B1 K1 143.22(8) . .
F4 K1 B1 F1 131.99(14) . .
F8 K1 B1 F1 -24.8(2) 2_665 .
F5 K1 B1 F1 -87.00(15) 2_665 .
F3 K1 B1 F1 175.1(2) . .
F6 K1 B1 F1 -108.44(15) 2_665 .
F6 K1 B1 F1 174.50(12) . .
O6 K1 B1 F1 76.68(15) 2_665 .
P3 K1 B1 F1 28.53(15) 2_665 .
F5 K1 B1 F1 173.52(15) . .
B2 K1 B1 F1 157.92(14) . .
F1 K1 B1 F2 91.8(2) . .
F4 K1 B1 F2 -136.25(15) . .
F8 K1 B1 F2 66.9(2) 2_665 .
F5 K1 B1 F2 4.76(18) 2_665 .
F3 K1 B1 F2 -93.1(2) . .
F6 K1 B1 F2 -16.68(15) 2_665 .
F6 K1 B1 F2 -93.74(17) . .
O6 K1 B1 F2 168.44(17) 2_665 .
P3 K1 B1 F2 120.28(15) 2_665 .
F5 K1 B1 F2 -94.72(16) . .
B2 K1 B1 F2 -110.32(16) . .
F1 K1 B1 F3 -175.1(2) . .
F4 K1 B1 F3 -43.15(14) . .
F8 K1 B1 F3 160.04(11) 2_665 .
F5 K1 B1 F3 97.86(13) 2_665 .
F6 K1 B1 F3 76.42(12) 2_665 .
F6 K1 B1 F3 -0.64(17) . .
O6 K1 B1 F3 -98.46(13) 2_665 .
P3 K1 B1 F3 -146.62(12) 2_665 .
F5 K1 B1 F3 -1.62(13) . .
B2 K1 B1 F3 -17.22(15) . .
F1 K1 B1 C2 -83.3(2) . .
F4 K1 B1 C2 48.7(2) . .
F8 K1 B1 C2 -108.1(2) 2_665 .
F5 K1 B1 C2 -170.31(19) 2_665 .
F3 K1 B1 C2 91.8(2) . .
F6 K1 B1 C2 168.3(2) 2_665 .
F6 K1 B1 C2 91.2(2) . .
O6 K1 B1 C2 -6.62(19) 2_665 .
P3 K1 B1 C2 -54.8(2) 2_665 .
F5 K1 B1 C2 90.2(2) . .
B2 K1 B1 C2 74.6(2) . .
F1 K1 B1 K3 128.75(17) . .
F4 K1 B1 K3 -99.25(6) . .
F8 K1 B1 K3 103.94(10) 2_665 .
F5 K1 B1 K3 41.75(7) 2_665 .
F3 K1 B1 K3 -56.10(11) . .
F6 K1 B1 K3 20.32(5) 2_665 .
F6 K1 B1 K3 -56.75(9) . .
O6 K1 B1 K3 -154.56(7) 2_665 .
P3 K1 B1 K3 157.28(4) 2_665 .
F5 K1 B1 K3 -57.72(6) . .
B2 K1 B1 K3 -73.32(8) . .
F2 B1 F1 K1 -109.30(17) . .
F3 B1 F1 K1 4.3(2) . .
C2 B1 F1 K1 127.26(17) . .
K3 B1 F1 K1 -62.31(16) . .
F4 K1 F1 B1 -55.44(16) . .
F8 K1 F1 B1 163.60(14) 2_665 .
F5 K1 F1 B1 100.22(15) 2_665 .
F3 K1 F1 B1 -2.76(14) . .
F6 K1 F1 B1 64.90(15) 2_665 .
F6 K1 F1 B1 -9.7(2) . .
O6 K1 F1 B1 -96.18(15) 2_665 .
P3 K1 F1 B1 -150.98(15) 2_665 .
F5 K1 F1 B1 -7.07(16) . .
B2 K1 F1 B1 -28.03(18) . .
F1 B1 F2 K3 112.04(16) . .
F3 B1 F2 K3 -1.7(2) . .
C2 B1 F2 K3 -123.92(16) . .
K1 B1 F2 K3 60.01(15) . .
O9 K3 F2 B1 -164.96(14) . .
F6 K3 F2 B1 -66.96(14) 2_665 .
F7 K3 F2 B1 53.99(17) . .
F9 K3 F2 B1 -40.0(3) . .
O1 K3 F2 B1 115.39(14) . .
F3 K3 F2 B1 1.04(13) . .
B3 K3 F2 B1 17.3(2) . .
F8 K3 F2 B1 -0.59(16) . .
C19 K3 F2 B1 127.75(14) . .
P1 K3 F2 B1 76.15(14) . .
F1 B1 F3 K2 163.49(16) . .
F2 B1 F3 K2 -81.4(3) . .
C2 B1 F3 K2 40.4(4) . .
K3 B1 F3 K2 -82.7(2) . .
K1 B1 F3 K2 167.3(3) . .
F1 B1 F3 K1 -3.78(19) . .
F2 B1 F3 K1 111.35(15) . .
C2 B1 F3 K1 -126.90(17) . .
K3 B1 F3 K1 110.04(6) . .
F1 B1 F3 K3 -113.83(17) . .
F2 B1 F3 K3 1.31(16) . .
C2 B1 F3 K3 123.06(17) . .
K1 B1 F3 K3 -110.04(6) . .
F8 K2 F3 B1 126.7(3) . .
F5 K2 F3 B1 -172.3(3) . .
O8 K2 F3 B1 29.4(3) . .
O3 K2 F3 B1 -149.3(3) . .
O2 K2 F3 B1 -22.5(3) . .
F7 K2 F3 B1 83.0(3) . .
P2 K2 F3 B1 -117.2(3) . .
B3 K2 F3 B1 105.8(3) . .
P1 K2 F3 B1 12.8(3) . .
K3 K2 F3 B1 85.3(3) . .
K1 K2 F3 B1 -166.2(3) . .
F8 K2 F3 K1 -67.06(7) . .
F5 K2 F3 K1 -6.13(6) . .
O8 K2 F3 K1 -164.38(7) . .
O3 K2 F3 K1 16.89(13) . .
O2 K2 F3 K1 143.69(5) . .
F7 K2 F3 K1 -110.84(6) . .
P2 K2 F3 K1 48.94(5) . .
B3 K2 F3 K1 -87.97(7) . .
P1 K2 F3 K1 179.01(6) . .
K3 K2 F3 K1 -108.52(6) . .
F8 K2 F3 K3 41.45(6) . .
F5 K2 F3 K3 102.39(5) . .
O8 K2 F3 K3 -55.86(9) . .
O3 K2 F3 K3 125.41(10) . .
O2 K2 F3 K3 -107.79(4) . .
F7 K2 F3 K3 -2.32(4) . .
P2 K2 F3 K3 157.46(2) . .
B3 K2 F3 K3 20.55(6) . .
P1 K2 F3 K3 -72.48(3) . .
K1 K2 F3 K3 108.52(6) . .
F1 K1 F3 B1 2.55(13) . .
F4 K1 F3 B1 138.58(13) . .
F8 K1 F3 B1 -57.7(3) 2_665 .
F5 K1 F3 B1 -91.07(13) 2_665 .
F6 K1 F3 B1 -92.82(13) 2_665 .
F6 K1 F3 B1 179.50(13) . .
O6 K1 F3 B1 75.86(13) 2_665 .
P3 K1 F3 B1 38.07(14) 2_665 .
F5 K1 F3 B1 178.23(14) . .
B2 K1 F3 B1 163.91(14) . .
F1 K1 F3 K2 -170.15(9) . .
F4 K1 F3 K2 -34.12(6) . .
F8 K1 F3 K2 129.6(2) 2_665 .
F5 K1 F3 K2 96.23(7) 2_665 .
F6 K1 F3 K2 94.48(6) 2_665 .
F6 K1 F3 K2 6.80(7) . .
O6 K1 F3 K2 -96.84(6) 2_665 .
P3 K1 F3 K2 -134.63(4) 2_665 .
F5 K1 F3 K2 5.52(5) . .
B2 K1 F3 K2 -8.79(7) . .
B1 K1 F3 K2 -172.70(16) . .
F1 K1 F3 K3 98.22(7) . .
F4 K1 F3 K3 -125.75(5) . .
F8 K1 F3 K3 38.0(2) 2_665 .
F5 K1 F3 K3 4.60(7) 2_665 .
F6 K1 F3 K3 2.85(4) 2_665 .
F6 K1 F3 K3 -84.83(5) . .
O6 K1 F3 K3 171.53(6) 2_665 .
P3 K1 F3 K3 133.74(4) 2_665 .
F5 K1 F3 K3 -86.10(5) . .
B2 K1 F3 K3 -100.42(6) . .
B1 K1 F3 K3 95.67(14) . .
F2 K3 F3 B1 -0.93(12) . .
O9 K3 F3 B1 25.41(18) . .
F6 K3 F3 B1 95.69(12) 2_665 .
F7 K3 F3 B1 -145.51(12) . .
F9 K3 F3 B1 166.20(12) . .
O1 K3 F3 B1 -74.99(13) . .
B3 K3 F3 B1 -172.32(13) . .
F8 K3 F3 B1 177.71(13) . .
C19 K3 F3 B1 -83.01(14) . .
P1 K3 F3 B1 -72.07(12) . .
F2 K3 F3 K2 147.28(6) . .
O9 K3 F3 K2 173.62(11) . .
F6 K3 F3 K2 -116.10(5) 2_665 .
F7 K3 F3 K2 2.71(5) . .
F9 K3 F3 K2 -45.59(7) . .
O1 K3 F3 K2 73.23(5) . .
B3 K3 F3 K2 -24.10(7) . .
F8 K3 F3 K2 -34.08(5) . .
B1 K3 F3 K2 148.22(13) . .
C19 K3 F3 K2 65.20(8) . .
P1 K3 F3 K2 76.15(3) . .
F2 K3 F3 K1 -99.68(7) . .
O9 K3 F3 K1 -73.34(12) . .
F6 K3 F3 K1 -3.06(5) 2_665 .
F7 K3 F3 K1 115.74(6) . .
F9 K3 F3 K1 67.44(7) . .
O1 K3 F3 K1 -173.74(5) . .
B3 K3 F3 K1 88.93(7) . .
F8 K3 F3 K1 78.96(6) . .
B1 K3 F3 K1 -98.75(13) . .
C19 K3 F3 K1 178.24(7) . .
P1 K3 F3 K1 -170.82(6) . .
F2 K3 O1 C8 23.68(13) . .
O9 K3 O1 C8 -79.19(15) . .
F6 K3 O1 C8 10.3(4) 2_665 .
F7 K3 O1 C8 161.17(15) . .
F9 K3 O1 C8 -163.68(13) . .
F3 K3 O1 C8 68.72(14) . .
B3 K3 O1 C8 172.33(14) . .
F8 K3 O1 C8 152.22(13) . .
B1 K3 O1 C8 44.12(14) . .
C19 K3 O1 C8 -126.5(2) . .
P1 K3 O1 C8 65.57(12) . .
F2 K3 O1 C19 150.18(15) . .
O9 K3 O1 C19 47.32(16) . .
F6 K3 O1 C19 136.8(3) 2_665 .
F7 K3 O1 C19 -72.33(16) . .
F9 K3 O1 C19 -37.18(16) . .
F3 K3 O1 C19 -164.78(15) . .
B3 K3 O1 C19 -61.17(16) . .
F8 K3 O1 C19 -81.28(16) . .
B1 K3 O1 C19 170.62(15) . .
P1 K3 O1 C19 -167.92(17) . .
F8 K2 O2 C14 -18.7(2) . .
F3 K2 O2 C14 88.35(19) . .
F5 K2 O2 C14 161.67(17) . .
O8 K2 O2 C14 -54.34(18) . .
O3 K2 O2 C14 -114.03(18) . .
F7 K2 O2 C14 -9.11(19) . .
P2 K2 O2 C14 -164.90(18) . .
B3 K2 O2 C14 -15.7(2) . .
P1 K2 O2 C14 48.49(17) . .
K3 K2 O2 C14 36.94(19) . .
K1 K2 O2 C14 111.90(18) . .
F8 K2 O2 C20 112.72(17) . .
F3 K2 O2 C20 -140.22(15) . .
F5 K2 O2 C20 -66.90(19) . .
O8 K2 O2 C20 77.08(16) . .
O3 K2 O2 C20 17.40(15) . .
F7 K2 O2 C20 122.31(15) . .
P2 K2 O2 C20 -33.47(15) . .
B3 K2 O2 C20 115.68(15) . .
P1 K2 O2 C20 179.91(16) . .
K3 K2 O2 C20 168.37(14) . .
K1 K2 O2 C20 -116.67(14) . .
F8 K2 P2 C27 -98.86(9) . .
F3 K2 P2 C27 160.13(8) . .
F5 K2 P2 C27 -136.24(9) . .
O8 K2 P2 C27 2.96(9) . .
O3 K2 P2 C27 -38.51(9) . .
O2 K2 P2 C27 62.17(8) . .
F7 K2 P2 C27 -64.17(11) . .
B3 K2 P2 C27 -84.55(10) . .
P1 K2 P2 C27 97.38(7) . .
K3 K2 P2 C27 -163.00(8) . .
K1 K2 P2 C27 -174.52(7) . .
F8 K2 P2 C33 147.38(12) . .
F3 K2 P2 C33 46.37(11) . .
F5 K2 P2 C33 110.00(12) . .
O8 K2 P2 C33 -110.80(12) . .
O3 K2 P2 C33 -152.28(12) . .
O2 K2 P2 C33 -51.59(11) . .
F7 K2 P2 C33 -177.93(13) . .
B3 K2 P2 C33 161.69(12) . .
P1 K2 P2 C33 -16.38(11) . .
K3 K2 P2 C33 83.24(11) . .
K1 K2 P2 C33 71.72(11) . .
F8 K2 P2 C21 4.77(10) . .
F3 K2 P2 C21 -96.24(9) . .
F5 K2 P2 C21 -32.61(9) . .
O8 K2 P2 C21 106.59(9) . .
O3 K2 P2 C21 65.11(10) . .
O2 K2 P2 C21 165.80(9) . .
F7 K2 P2 C21 39.46(12) . .
B3 K2 P2 C21 19.08(11) . .
P1 K2 P2 C21 -158.99(8) . .
K3 K2 P2 C21 -59.37(9) . .
K1 K2 P2 C21 -70.89(8) . .
F1 K1 B2 F4 -69.89(16) . .
F8 K1 B2 F4 100.39(14) 2_665 .
F5 K1 B2 F4 161.53(13) 2_665 .
F3 K1 B2 F4 -88.30(14) . .
F6 K1 B2 F4 -152.06(14) 2_665 .
F6 K1 B2 F4 127.6(2) . .
O6 K1 B2 F4 -8.64(14) 2_665 .
P3 K1 B2 F4 33.15(16) 2_665 .
F5 K1 B2 F4 -120.5(2) . .
B1 K1 B2 F4 -81.15(15) . .
F1 K1 B2 F5 50.65(16) . .
F4 K1 B2 F5 120.5(2) . .
F8 K1 B2 F5 -139.07(12) 2_665 .
F5 K1 B2 F5 -77.93(13) 2_665 .
F3 K1 B2 F5 32.24(12) . .
F6 K1 B2 F5 -31.53(13) 2_665 .
F6 K1 B2 F5 -111.8(2) . .
O6 K1 B2 F5 111.89(13) 2_665 .
P3 K1 B2 F5 153.69(11) 2_665 .
B1 K1 B2 F5 39.39(14) . .
F1 K1 B2 F6 162.49(11) . .
F4 K1 B2 F6 -127.6(2) . .
F8 K1 B2 F6 -27.23(14) 2_665 .
F5 K1 B2 F6 33.91(14) 2_665 .
F3 K1 B2 F6 144.08(13) . .
F6 K1 B2 F6 80.32(13) 2_665 .
O6 K1 B2 F6 -136.26(13) 2_665 .
P3 K1 B2 F6 -94.47(13) 2_665 .
F5 K1 B2 F6 111.8(2) . .
B1 K1 B2 F6 151.23(12) . .
F1 K1 B2 C22 -106.3(8) . .
F4 K1 B2 C22 -36.4(7) . .
F8 K1 B2 C22 64.0(8) 2_665 .
F5 K1 B2 C22 125.1(8) 2_665 .
F3 K1 B2 C22 -124.7(8) . .
F6 K1 B2 C22 171.5(8) 2_665 .
F6 K1 B2 C22 91.2(8) . .
O6 K1 B2 C22 -45.1(8) 2_665 .
P3 K1 B2 C22 -3.3(8) 2_665 .
F5 K1 B2 C22 -157.0(9) . .
B1 K1 B2 C22 -117.6(8) . .
F1 K1 B2 K1 104.99(7) . 2_665
F4 K1 B2 K1 174.88(16) . 2_665
F8 K1 B2 K1 -84.73(5) 2_665 2_665
F5 K1 B2 K1 -23.59(5) 2_665 2_665
F3 K1 B2 K1 86.58(4) . 2_665
F6 K1 B2 K1 22.82(5) 2_665 2_665
F6 K1 B2 K1 -57.50(12) . 2_665
O6 K1 B2 K1 166.24(5) 2_665 2_665
P3 K1 B2 K1 -151.97(3) 2_665 2_665
F5 K1 B2 K1 54.34(11) . 2_665
B1 K1 B2 K1 93.73(6) . 2_665
F5 B2 F4 K1 -61.15(18) . .
F6 B2 F4 K1 49.65(18) . .
C22 B2 F4 K1 172.64(16) . .
K1 B2 F4 K1 -6.3(2) 2_665 .
F1 K1 F4 B2 126.32(14) . .
F8 K1 F4 B2 -86.04(15) 2_665 .
F5 K1 F4 B2 -23.12(17) 2_665 .
F3 K1 F4 B2 90.25(14) . .
F6 K1 F4 B2 33.12(16) 2_665 .
F6 K1 F4 B2 -28.93(13) . .
O6 K1 F4 B2 170.26(16) 2_665 .
P3 K1 F4 B2 -152.09(14) 2_665 .
F5 K1 F4 B2 32.11(13) . .
B1 K1 F4 B2 106.98(14) . .
F4 B2 F5 K2 -48.4(3) . .
F6 B2 F5 K2 -160.44(16) . .
C22 B2 F5 K2 77.0(3) . .
K1 B2 F5 K2 -98.1(2) . .
K1 B2 F5 K2 -175.8(3) 2_665 .
F4 B2 F5 K1 127.40(16) . 2_665
F6 B2 F5 K1 15.4(2) . 2_665
C22 B2 F5 K1 -107.22(17) . 2_665
K1 B2 F5 K1 77.67(7) . 2_665
F4 B2 F5 K1 49.72(15) . .
F6 B2 F5 K1 -62.31(16) . .
C22 B2 F5 K1 175.11(19) . .
K1 B2 F5 K1 -77.67(7) 2_665 .
F8 K2 F5 B2 -164.9(3) . .
F3 K2 F5 B2 93.9(3) . .
O8 K2 F5 B2 -109.6(3) . .
O3 K2 F5 B2 -75.3(2) . .
O2 K2 F5 B2 14.9(3) . .
F7 K2 F5 B2 -174.3(2) . .
P2 K2 F5 B2 -23.5(2) . .
B3 K2 F5 B2 -167.2(3) . .
P1 K2 F5 B2 100.1(2) . .
K3 K2 F5 B2 143.6(2) . .
K1 K2 F5 B2 88.7(3) . .
F8 K2 F5 K1 19.60(7) . 2_665
F3 K2 F5 K1 -81.60(7) . 2_665
O8 K2 F5 K1 74.85(12) . 2_665
O3 K2 F5 K1 109.18(8) . 2_665
O2 K2 F5 K1 -160.62(8) . 2_665
F7 K2 F5 K1 10.12(8) . 2_665
P2 K2 F5 K1 161.00(8) . 2_665
B3 K2 F5 K1 17.29(8) . 2_665
P1 K2 F5 K1 -75.42(9) . 2_665
K3 K2 F5 K1 -31.96(6) . 2_665
K1 K2 F5 K1 -86.80(7) . 2_665
F8 K2 F5 K1 106.40(7) . .
F3 K2 F5 K1 5.20(5) . .
O8 K2 F5 K1 161.64(8) . .
O3 K2 F5 K1 -164.03(6) . .
O2 K2 F5 K1 -73.82(11) . .
F7 K2 F5 K1 96.92(6) . .
P2 K2 F5 K1 -112.20(6) . .
B3 K2 F5 K1 104.09(6) . .
P1 K2 F5 K1 11.38(8) . .
K3 K2 F5 K1 54.83(4) . .
F1 K1 F5 B2 -140.87(13) . .
F4 K1 F5 B2 -32.41(13) . .
F8 K1 F5 B2 47.99(14) 2_665 .
F5 K1 F5 B2 107.26(13) 2_665 .
F3 K1 F5 B2 -144.36(14) . .
F6 K1 F5 B2 148.46(13) 2_665 .
F6 K1 F5 B2 37.46(12) . .
O6 K1 F5 B2 -69.01(13) 2_665 .
P3 K1 F5 B2 -39.44(15) 2_665 .
B1 K1 F5 B2 -143.62(14) . .
F1 K1 F5 K2 -1.68(7) . .
F4 K1 F5 K2 106.78(8) . .
F8 K1 F5 K2 -172.82(6) 2_665 .
F5 K1 F5 K2 -113.55(6) 2_665 .
F3 K1 F5 K2 -5.17(5) . .
F6 K1 F5 K2 -72.35(5) 2_665 .
F6 K1 F5 K2 176.65(9) . .
O6 K1 F5 K2 70.18(6) 2_665 .
P3 K1 F5 K2 99.75(6) 2_665 .
B2 K1 F5 K2 139.19(15) . .
B1 K1 F5 K2 -4.43(7) . .
F1 K1 F5 K1 111.86(5) . 2_665
F4 K1 F5 K1 -139.67(8) . 2_665
F8 K1 F5 K1 -59.27(6) 2_665 2_665
F5 K1 F5 K1 0.0 2_665 2_665
F3 K1 F5 K1 108.38(5) . 2_665
F6 K1 F5 K1 41.20(4) 2_665 2_665
F6 K1 F5 K1 -69.80(6) . 2_665
O6 K1 F5 K1 -176.27(5) 2_665 2_665
P3 K1 F5 K1 -146.70(5) 2_665 2_665
B2 K1 F5 K1 -107.26(13) . 2_665
B1 K1 F5 K1 109.12(6) . 2_665
F4 B2 F6 K3 63.5(3) . 2_665
F5 B2 F6 K3 176.26(13) . 2_665
C22 B2 F6 K3 -59.9(3) . 2_665
K1 B2 F6 K3 107.71(18) . 2_665
K1 B2 F6 K3 -168.7(2) 2_665 2_665
F4 B2 F6 K1 -127.85(16) . 2_665
F5 B2 F6 K1 -15.1(2) . 2_665
C22 B2 F6 K1 108.80(18) . 2_665
K1 B2 F6 K1 -83.60(6) . 2_665
F4 B2 F6 K1 -44.25(17) . .
F5 B2 F6 K1 68.55(17) . .
C22 B2 F6 K1 -167.60(19) . .
K1 B2 F6 K1 83.60(6) 2_665 .
F1 K1 F6 B2 -32.6(2) . .
F4 K1 F6 B2 28.28(13) . .
F8 K1 F6 B2 152.98(14) 2_665 .
F5 K1 F6 B2 -147.17(14) 2_665 .
F3 K1 F6 B2 -37.97(14) . .
F6 K1 F6 B2 -103.33(14) 2_665 .
O6 K1 F6 B2 45.95(14) 2_665 .
P3 K1 F6 B2 101.95(13) 2_665 .
F5 K1 F6 B2 -36.22(13) . .
B1 K1 F6 B2 -37.69(16) . .
F1 K1 F6 K3 -170.45(10) . 2_665
F4 K1 F6 K3 -109.59(8) . 2_665
F8 K1 F6 K3 15.11(6) 2_665 2_665
F5 K1 F6 K3 74.96(5) 2_665 2_665
F3 K1 F6 K3 -175.85(5) . 2_665
F6 K1 F6 K3 118.79(6) 2_665 2_665
O6 K1 F6 K3 -91.93(5) 2_665 2_665
P3 K1 F6 K3 -35.93(6) 2_665 2_665
F5 K1 F6 K3 -174.10(9) . 2_665
B2 K1 F6 K3 -137.87(15) . 2_665
B1 K1 F6 K3 -175.56(7) . 2_665
F1 K1 F6 K1 70.76(12) . 2_665
F4 K1 F6 K1 131.62(8) . 2_665
F8 K1 F6 K1 -103.68(5) 2_665 2_665
F5 K1 F6 K1 -43.83(4) 2_665 2_665
F3 K1 F6 K1 65.36(4) . 2_665
F6 K1 F6 K1 0.0 2_665 2_665
O6 K1 F6 K1 149.28(4) 2_665 2_665
P3 K1 F6 K1 -154.72(3) 2_665 2_665
F5 K1 F6 K1 67.11(6) . 2_665
B2 K1 F6 K1 103.33(14) . 2_665
B1 K1 F6 K1 65.64(8) . 2_665
F8 K2 O3 C28 -173.16(18) . .
F3 K2 O3 C28 100.73(19) . .
F5 K2 O3 C28 123.47(17) . .
O8 K2 O3 C28 -78.36(17) . .
O2 K2 O3 C28 -25.46(18) . .
F7 K2 O3 C28 -132.77(17) . .
P2 K2 O3 C28 59.81(16) . .
B3 K2 O3 C28 -152.87(17) . .
P1 K2 O3 C28 -50.5(2) . .
K3 K2 O3 C28 -159.78(14) . .
K1 K2 O3 C28 111.47(17) . .
F8 K2 O3 C39 -37.35(19) . .
F3 K2 O3 C39 -123.5(2) . .
F5 K2 O3 C39 -100.72(19) . .
O8 K2 O3 C39 57.45(19) . .
O2 K2 O3 C39 110.36(19) . .
F7 K2 O3 C39 3.0(2) . .
P2 K2 O3 C39 -164.4(2) . .
B3 K2 O3 C39 -17.1(2) . .
P1 K2 O3 C39 85.3(2) . .
K3 K2 O3 C39 -24.0(2) . .
K1 K2 O3 C39 -112.72(19) . .
F2 K3 B3 F9 -145.48(17) . .
O9 K3 B3 F9 36.8(2) . .
F6 K3 B3 F9 -66.3(2) 2_665 .
F7 K3 B3 F9 140.6(3) . .
O1 K3 B3 F9 116.81(19) . .
F3 K3 B3 F9 -133.36(19) . .
F8 K3 B3 F9 -110.6(3) . .
B1 K3 B3 F9 -137.41(18) . .
C19 K3 B3 F9 96.1(2) . .
P1 K3 B3 F9 167.56(18) . .
F2 K3 B3 F7 73.9(2) . .
O9 K3 B3 F7 -103.83(18) . .
F6 K3 B3 F7 153.06(18) 2_665 .
F9 K3 B3 F7 -140.6(3) . .
O1 K3 B3 F7 -23.83(18) . .
F3 K3 B3 F7 86.00(18) . .
F8 K3 B3 F7 108.7(2) . .
B1 K3 B3 F7 82.0(2) . .
C19 K3 B3 F7 -44.55(18) . .
P1 K3 B3 F7 26.92(19) . .
F2 K3 B3 F8 -34.8(2) . .
O9 K3 B3 F8 147.44(14) . .
F6 K3 B3 F8 44.34(14) 2_665 .
F7 K3 B3 F8 -108.7(2) . .
F9 K3 B3 F8 110.6(3) . .
O1 K3 B3 F8 -132.55(14) . .
F3 K3 B3 F8 -22.73(15) . .
B1 K3 B3 F8 -26.77(18) . .
C19 K3 B3 F8 -153.28(15) . .
P1 K3 B3 F8 -81.80(14) . .
F2 K3 B3 C42 137.9(7) . .
O9 K3 B3 C42 -39.8(7) . .
F6 K3 B3 C42 -142.9(7) 2_665 .
F7 K3 B3 C42 64.0(7) . .
F9 K3 B3 C42 -76.6(7) . .
O1 K3 B3 C42 40.2(7) . .
F3 K3 B3 C42 150.0(7) . .
F8 K3 B3 C42 172.7(8) . .
B1 K3 B3 C42 146.0(7) . .
C19 K3 B3 C42 19.5(7) . .
P1 K3 B3 C42 90.9(7) . .
F2 K3 B3 K2 7.20(14) . .
O9 K3 B3 K2 -170.52(6) . .
F6 K3 B3 K2 86.38(5) 2_665 .
F7 K3 B3 K2 -66.68(17) . .
F9 K3 B3 K2 152.7(2) . .
O1 K3 B3 K2 -90.51(5) . .
F3 K3 B3 K2 19.32(5) . .
F8 K3 B3 K2 42.04(12) . .
B1 K3 B3 K2 15.27(9) . .
C19 K3 B3 K2 -111.24(6) . .
P1 K3 B3 K2 -39.76(5) . .
F8 K2 B3 F9 -72.4(3) . .
F3 K2 B3 F9 7.9(2) . .
F5 K2 B3 F9 -66.7(2) . .
O8 K2 B3 F9 145.9(3) . .
O3 K2 B3 F9 -145.1(2) . .
O2 K2 B3 F9 112.0(2) . .
F7 K2 B3 F9 95.2(3) . .
P2 K2 B3 F9 -111.1(2) . .
P1 K2 B3 F9 67.5(2) . .
K3 K2 B3 F9 29.0(2) . .
K1 K2 B3 F9 -26.5(2) . .
F8 K2 B3 F7 -167.6(3) . .
F3 K2 B3 F7 -87.26(15) . .
F5 K2 B3 F7 -161.91(16) . .
O8 K2 B3 F7 50.70(15) . .
O3 K2 B3 F7 119.66(15) . .
O2 K2 B3 F7 16.77(18) . .
P2 K2 B3 F7 153.70(12) . .
P1 K2 B3 F7 -27.74(15) . .
K3 K2 B3 F7 -66.19(14) . .
K1 K2 B3 F7 -121.66(15) . .
F3 K2 B3 F8 80.35(19) . .
F5 K2 B3 F8 5.70(18) . .
O8 K2 B3 F8 -141.7(2) . .
O3 K2 B3 F8 -72.73(19) . .
O2 K2 B3 F8 -175.62(17) . .
F7 K2 B3 F8 167.6(3) . .
P2 K2 B3 F8 -38.7(2) . .
P1 K2 B3 F8 139.87(18) . .
K3 K2 B3 F8 101.42(19) . .
K1 K2 B3 F8 45.95(18) . .
F8 K2 B3 C42 90.8(3) . .
F3 K2 B3 C42 171.11(18) . .
F5 K2 B3 C42 96.46(19) . .
O8 K2 B3 C42 -50.93(18) . .
O3 K2 B3 C42 18.03(19) . .
O2 K2 B3 C42 -84.86(19) . .
F7 K2 B3 C42 -101.6(2) . .
P2 K2 B3 C42 52.1(2) . .
P1 K2 B3 C42 -129.37(18) . .
K3 K2 B3 C42 -167.8(2) . .
K1 K2 B3 C42 136.71(18) . .
F8 K2 B3 K3 -101.42(19) . .
F3 K2 B3 K3 -21.07(6) . .
F5 K2 B3 K3 -95.72(6) . .
O8 K2 B3 K3 116.89(7) . .
O3 K2 B3 K3 -174.15(6) . .
O2 K2 B3 K3 82.96(8) . .
F7 K2 B3 K3 66.19(14) . .
P2 K2 B3 K3 -140.11(4) . .
P1 K2 B3 K3 38.45(5) . .
K1 K2 B3 K3 -55.47(5) . .
F9 B3 F7 K3 -36.2(3) . .
F8 B3 F7 K3 73.75(19) . .
C42 B3 F7 K3 -166.3(2) . .
K2 B3 F7 K3 82.30(7) . .
F9 B3 F7 K2 -118.5(2) . .
F8 B3 F7 K2 -8.5(2) . .
C42 B3 F7 K2 111.4(2) . .
K3 B3 F7 K2 -82.30(7) . .
F2 K3 F7 B3 -135.36(17) . .
O9 K3 F7 B3 86.31(19) . .
F6 K3 F7 B3 -31.3(2) 2_665 .
F9 K3 F7 B3 21.63(17) . .
O1 K3 F7 B3 154.36(19) . .
F3 K3 F7 B3 -98.91(18) . .
F8 K3 F7 B3 -38.21(16) . .
B1 K3 F7 B3 -114.81(18) . .
C19 K3 F7 B3 129.20(19) . .
P1 K3 F7 B3 -153.71(18) . .
F2 K3 F7 K2 -38.83(9) . .
O9 K3 F7 K2 -177.15(6) . .
F6 K3 F7 K2 65.28(6) 2_665 .
F9 K3 F7 K2 118.17(10) . .
O1 K3 F7 K2 -109.10(5) . .
F3 K3 F7 K2 -2.37(4) . .
B3 K3 F7 K2 96.54(18) . .
F8 K3 F7 K2 58.33(7) . .
B1 K3 F7 K2 -18.27(7) . .
C19 K3 F7 K2 -134.26(6) . .
P1 K3 F7 K2 -57.18(3) . .
F8 K2 F7 B3 6.45(15) . .
F3 K2 F7 B3 95.26(15) . .
F5 K2 F7 B3 18.69(16) . .
O8 K2 F7 B3 -122.09(16) . .
O3 K2 F7 B3 -62.52(16) . .
O2 K2 F7 B3 -166.15(15) . .
P2 K2 F7 B3 -42.42(19) . .
P1 K2 F7 B3 151.52(16) . .
K3 K2 F7 B3 92.66(16) . .
K1 K2 F7 B3 62.02(15) . .
F8 K2 F7 K3 -86.21(8) . .
F3 K2 F7 K3 2.60(5) . .
F5 K2 F7 K3 -73.97(6) . .
O8 K2 F7 K3 145.25(7) . .
O3 K2 F7 K3 -155.18(5) . .
O2 K2 F7 K3 101.19(5) . .
P2 K2 F7 K3 -135.08(6) . .
B3 K2 F7 K3 -92.66(16) . .
P1 K2 F7 K3 58.86(3) . .
K1 K2 F7 K3 -30.64(4) . .
F9 B3 F8 K2 125.50(17) . .
F7 B3 F8 K2 11.0(3) . .
C42 B3 F8 K2 -110.23(19) . .
K3 B3 F8 K2 67.88(12) . .
F9 B3 F8 K1 -26.9(3) . 2_665
F7 B3 F8 K1 -141.41(16) . 2_665
C42 B3 F8 K1 97.4(2) . 2_665
K3 B3 F8 K1 -84.52(13) . 2_665
K2 B3 F8 K1 -152.4(2) . 2_665
F9 B3 F8 K3 57.62(16) . .
F7 B3 F8 K3 -56.90(16) . .
C42 B3 F8 K3 -178.1(2) . .
K2 B3 F8 K3 -67.88(13) . .
F3 K2 F8 B3 -101.52(18) . .
F5 K2 F8 B3 -173.6(2) . .
O8 K2 F8 B3 36.97(19) . .
O3 K2 F8 B3 106.38(19) . .
O2 K2 F8 B3 6.6(3) . .
F7 K2 F8 B3 -6.91(16) . .
P2 K2 F8 B3 149.14(17) . .
P1 K2 F8 B3 -43.73(19) . .
K3 K2 F8 B3 -63.33(18) . .
K1 K2 F8 B3 -133.32(19) . .
F3 K2 F8 K1 52.01(9) . 2_665
F5 K2 F8 K1 -20.10(7) . 2_665
O8 K2 F8 K1 -169.50(9) . 2_665
O3 K2 F8 K1 -100.08(9) . 2_665
O2 K2 F8 K1 160.12(7) . 2_665
F7 K2 F8 K1 146.63(13) . 2_665
P2 K2 F8 K1 -57.32(9) . 2_665
B3 K2 F8 K1 153.5(2) . 2_665
P1 K2 F8 K1 109.80(8) . 2_665
K3 K2 F8 K1 90.20(8) . 2_665
K1 K2 F8 K1 20.21(7) . 2_665
F3 K2 F8 K3 -38.19(5) . .
F5 K2 F8 K3 -110.30(6) . .
O8 K2 F8 K3 100.30(6) . .
O3 K2 F8 K3 169.71(5) . .
O2 K2 F8 K3 69.91(11) . .
F7 K2 F8 K3 56.42(7) . .
P2 K2 F8 K3 -147.52(3) . .
B3 K2 F8 K3 63.33(18) . .
P1 K2 F8 K3 19.60(5) . .
K1 K2 F8 K3 -69.99(3) . .
F2 K3 F8 B3 158.47(14) . .
O9 K3 F8 B3 -41.47(17) . .
F6 K3 F8 B3 -134.76(15) 2_665 .
F7 K3 F8 B3 39.07(15) . .
F9 K3 F8 B3 -37.78(15) . .
O1 K3 F8 B3 51.55(15) . .
F3 K3 F8 B3 157.25(15) . .
B1 K3 F8 B3 158.25(14) . .
C19 K3 F8 B3 27.42(15) . .
P1 K3 F8 B3 103.91(14) . .
F2 K3 F8 K2 36.18(7) . .
O9 K3 F8 K2 -163.76(8) . .
F6 K3 F8 K2 102.94(5) 2_665 .
F7 K3 F8 K2 -83.22(9) . .
F9 K3 F8 K2 -160.07(11) . .
O1 K3 F8 K2 -70.74(6) . .
F3 K3 F8 K2 34.96(4) . .
B3 K3 F8 K2 -122.29(16) . .
B1 K3 F8 K2 35.95(6) . .
C19 K3 F8 K2 -94.88(6) . .
P1 K3 F8 K2 -18.39(5) . .
F2 K3 F8 K1 -80.41(7) . 2_665
O9 K3 F8 K1 79.65(9) . 2_665
F6 K3 F8 K1 -13.65(5) 2_665 2_665
F7 K3 F8 K1 160.19(11) . 2_665
F9 K3 F8 K1 83.34(10) . 2_665
O1 K3 F8 K1 172.67(5) . 2_665
F3 K3 F8 K1 -81.64(5) . 2_665
B3 K3 F8 K1 121.11(16) . 2_665
B1 K3 F8 K1 -80.64(6) . 2_665
C19 K3 F8 K1 148.53(6) . 2_665
P1 K3 F8 K1 -134.98(4) . 2_665
F7 B3 F9 K3 35.7(3) . .
F8 B3 F9 K3 -72.97(19) . .
C42 B3 F9 K3 164.9(2) . .
K2 B3 F9 K3 -31.3(2) . .
F2 K3 F9 B3 87.7(3) . .
O9 K3 F9 B3 -145.4(2) . .
F6 K3 F9 B3 114.2(2) 2_665 .
F7 K3 F9 B3 -21.90(18) . .
O1 K3 F9 B3 -66.9(2) . .
F3 K3 F9 B3 54.3(2) . .
F8 K3 F9 B3 37.45(17) . .
B1 K3 F9 B3 63.9(2) . .
C19 K3 F9 B3 -80.9(2) . .
P1 K3 F9 B3 -15.9(2) . .
C13 P1 C1 C6 -16.5(2) . .
C7 P1 C1 C6 86.7(2) . .
K2 P1 C1 C6 -120.9(2) . .
K3 P1 C1 C6 173.76(18) . .
C13 P1 C1 C2 163.19(18) . .
C7 P1 C1 C2 -93.60(19) . .
K2 P1 C1 C2 58.84(19) . .
K3 P1 C1 C2 -6.5(2) . .
C6 C1 C2 C3 -0.9(4) . .
P1 C1 C2 C3 179.36(19) . .
C6 C1 C2 B1 -179.3(2) . .
P1 C1 C2 B1 1.0(3) . .
F1 B1 C2 C3 -2.7(3) . .
F2 B1 C2 C3 -124.5(2) . .
F3 B1 C2 C3 116.9(2) . .
K3 B1 C2 C3 -171.95(18) . .
K1 B1 C2 C3 50.8(3) . .
F1 B1 C2 C1 175.6(2) . .
F2 B1 C2 C1 53.8(3) . .
F3 B1 C2 C1 -64.8(3) . .
K3 B1 C2 C1 6.4(3) . .
K1 B1 C2 C1 -130.9(2) . .
C1 C2 C3 C4 0.3(4) . .
B1 C2 C3 C4 178.7(3) . .
C2 C3 C4 C5 0.1(5) . .
C3 C4 C5 C6 0.2(5) . .
C4 C5 C6 C1 -0.8(5) . .
C2 C1 C6 C5 1.2(4) . .
P1 C1 C6 C5 -179.1(2) . .
C13 P1 C7 C12 84.3(2) . .
C1 P1 C7 C12 -21.2(2) . .
K2 P1 C7 C12 -150.47(16) . .
K3 P1 C7 C12 -136.1(2) . .
C13 P1 C7 C8 -94.02(18) . .
C1 P1 C7 C8 160.42(18) . .
K2 P1 C7 C8 31.2(3) . .
K3 P1 C7 C8 45.56(17) . .
C19 O1 C8 C9 -7.4(3) . .
K3 O1 C8 C9 110.9(2) . .
C19 O1 C8 C7 172.2(2) . .
K3 O1 C8 C7 -69.6(2) . .
C12 C7 C8 O1 179.8(2) . .
P1 C7 C8 O1 -1.8(3) . .
C12 C7 C8 C9 -0.7(3) . .
P1 C7 C8 C9 177.74(18) . .
O1 C8 C9 C10 179.3(2) . .
C7 C8 C9 C10 -0.2(4) . .
C8 C9 C10 C11 0.5(4) . .
C9 C10 C11 C12 0.2(5) . .
C10 C11 C12 C7 -1.1(5) . .
C8 C7 C12 C11 1.4(4) . .
P1 C7 C12 C11 -177.0(2) . .
C1 P1 C13 C18 103.6(2) . .
C7 P1 C13 C18 -1.3(2) . .
K2 P1 C13 C18 -152.06(18) . .
K3 P1 C13 C18 -90.9(2) . .
C1 P1 C13 C14 -82.81(19) . .
C7 P1 C13 C14 172.35(17) . .
K2 P1 C13 C14 21.58(18) . .
K3 P1 C13 C14 82.7(2) . .
C20 O2 C14 C15 2.1(3) . .
K2 O2 C14 C15 124.8(2) . .
C20 O2 C14 C13 -178.3(2) . .
K2 O2 C14 C13 -55.5(3) . .
C18 C13 C14 O2 -176.7(2) . .
P1 C13 C14 O2 9.3(3) . .
C18 C13 C14 C15 3.0(3) . .
P1 C13 C14 C15 -171.01(18) . .
O2 C14 C15 C16 177.6(2) . .
C13 C14 C15 C16 -2.1(3) . .
C14 C15 C16 C17 -0.1(4) . .
C15 C16 C17 C18 1.3(4) . .
C16 C17 C18 C13 -0.3(4) . .
C14 C13 C18 C17 -1.8(3) . .
P1 C13 C18 C17 171.91(19) . .
C8 O1 C19 K3 121.0(2) . .
F2 K3 C19 O1 -32.35(16) . .
O9 K3 C19 O1 -126.70(17) . .
F6 K3 C19 O1 -156.73(17) 2_665 .
F7 K3 C19 O1 97.38(16) . .
F9 K3 C19 O1 144.00(15) . .
F3 K3 C19 O1 19.32(18) . .
B3 K3 C19 O1 117.85(16) . .
F8 K3 C19 O1 106.08(15) . .
B1 K3 C19 O1 -11.13(18) . .
P1 K3 C19 O1 9.77(13) . .
C27 P2 C21 C26 -33.5(2) . .
C33 P2 C21 C26 71.2(2) . .
K2 P2 C21 C26 -133.00(18) . .
C27 P2 C21 C22 146.04(19) . .
C33 P2 C21 C22 -109.25(19) . .
K2 P2 C21 C22 46.5(2) . .
C26 C21 C22 C23 -0.5(3) . .
P2 C21 C22 C23 -179.96(18) . .
C26 C21 C22 B2 179.3(2) . .
P2 C21 C22 B2 -0.2(3) . .
F4 B2 C22 C23 -123.9(2) . .
F5 B2 C22 C23 113.8(2) . .
F6 B2 C22 C23 -4.4(3) . .
K1 B2 C22 C23 -90.9(8) . .
K1 B2 C22 C23 55.2(3) 2_665 .
F4 B2 C22 C21 56.4(3) . .
F5 B2 C22 C21 -66.0(3) . .
F6 B2 C22 C21 175.9(2) . .
K1 B2 C22 C21 89.4(8) . .
K1 B2 C22 C21 -124.5(2) 2_665 .
C21 C22 C23 C24 -0.7(4) . .
B2 C22 C23 C24 179.5(3) . .
C22 C23 C24 C25 1.3(4) . .
C23 C24 C25 C26 -0.7(4) . .
C24 C25 C26 C21 -0.5(4) . .
C22 C21 C26 C25 1.1(4) . .
P2 C21 C26 C25 -179.4(2) . .
C33 P2 C27 C32 0.4(2) . .
C21 P2 C27 C32 105.5(2) . .
K2 P2 C27 C32 -141.48(19) . .
C33 P2 C27 C28 177.05(17) . .
C21 P2 C27 C28 -77.79(19) . .
K2 P2 C27 C28 35.19(17) . .
C39 O3 C28 C29 -15.0(4) . .
K2 O3 C28 C29 115.5(2) . .
C39 O3 C28 C27 165.6(2) . .
K2 O3 C28 C27 -63.9(2) . .
C32 C27 C28 O3 -179.0(2) . .
P2 C27 C28 O3 4.1(3) . .
C32 C27 C28 C29 1.5(3) . .
P2 C27 C28 C29 -175.36(18) . .
O3 C28 C29 C30 178.9(2) . .
C27 C28 C29 C30 -1.7(4) . .
C28 C29 C30 C31 0.7(4) . .
C29 C30 C31 C32 0.2(4) . .
C28 C27 C32 C31 -0.5(3) . .
P2 C27 C32 C31 176.11(19) . .
C30 C31 C32 C27 -0.3(4) . .
C27 P2 C33 C38 107.7(2) . .
C21 P2 C33 C38 3.7(2) . .
K2 P2 C33 C38 -140.95(17) . .
C27 P2 C33 C34 -79.82(19) . .
C21 P2 C33 C34 176.16(18) . .
K2 P2 C33 C34 31.5(2) . .
C40 O4 C34 C35 9.0(4) . .
C40 O4 C34 C33 -170.5(3) . .
C38 C33 C34 O4 179.4(2) . .
P2 C33 C34 O4 6.4(3) . .
C38 C33 C34 C35 -0.1(3) . .
P2 C33 C34 C35 -173.18(19) . .
O4 C34 C35 C36 -179.3(2) . .
C33 C34 C35 C36 0.2(4) . .
C34 C35 C36 C37 0.0(4) . .
C35 C36 C37 C38 -0.1(4) . .
C34 C33 C38 C37 0.0(4) . .
P2 C33 C38 C37 172.5(2) . .
C36 C37 C38 C33 0.1(4) . .
C47 P3 C41 C46 -14.9(2) . .
C53 P3 C41 C46 90.2(2) . .
K1 P3 C41 C46 -148.85(16) 2_665 .
C47 P3 C41 C42 162.93(17) . .
C53 P3 C41 C42 -91.97(18) . .
K1 P3 C41 C42 29.0(2) 2_665 .
C46 C41 C42 C43 -2.0(3) . .
P3 C41 C42 C43 -179.89(17) . .
C46 C41 C42 B3 177.9(2) . .
P3 C41 C42 B3 0.0(3) . .
F9 B3 C42 C43 -126.3(3) . .
F7 B3 C42 C43 1.3(4) . .
F8 B3 C42 C43 115.7(2) . .
K3 B3 C42 C43 -56.5(8) . .
K2 B3 C42 C43 69.0(3) . .
F9 B3 C42 C41 53.8(4) . .
F7 B3 C42 C41 -178.6(2) . .
F8 B3 C42 C41 -64.2(3) . .
K3 B3 C42 C41 123.6(7) . .
K2 B3 C42 C41 -110.9(2) . .
C41 C42 C43 C44 1.7(3) . .
B3 C42 C43 C44 -178.2(2) . .
C42 C43 C44 C45 0.0(4) . .
C43 C44 C45 C46 -1.5(4) . .
C44 C45 C46 C41 1.2(4) . .
C42 C41 C46 C45 0.7(4) . .
P3 C41 C46 C45 178.43(19) . .
C53 P3 C47 C52 8.3(2) . .
C41 P3 C47 C52 114.4(2) . .
K1 P3 C47 C52 -105.79(19) 2_665 .
C53 P3 C47 C48 178.27(18) . .
C41 P3 C47 C48 -75.65(19) . .
K1 P3 C47 C48 64.21(19) 2_665 .
C59 O5 C48 C49 11.2(4) . .
C59 O5 C48 C47 -168.6(3) . .
C52 C47 C48 O5 179.4(2) . .
P3 C47 C48 O5 8.7(3) . .
C52 C47 C48 C49 -0.4(4) . .
P3 C47 C48 C49 -171.1(2) . .
O5 C48 C49 C50 -179.0(2) . .
C47 C48 C49 C50 0.8(4) . .
C48 C49 C50 C51 -0.7(4) . .
C49 C50 C51 C52 0.3(4) . .
C48 C47 C52 C51 0.0(3) . .
P3 C47 C52 C51 169.91(19) . .
C50 C51 C52 C47 0.0(4) . .
C47 P3 C53 C58 99.3(2) . .
C41 P3 C53 C58 -8.5(2) . .
K1 P3 C53 C58 -141.33(19) 2_665 .
C47 P3 C53 C54 -85.71(19) . .
C41 P3 C53 C54 166.52(18) . .
K1 P3 C53 C54 33.64(19) 2_665 .
C60 O6 C54 C55 -1.6(4) . .
K1 O6 C54 C55 132.2(2) 2_665 .
C60 O6 C54 C53 177.0(2) . .
K1 O6 C54 C53 -49.2(2) 2_665 .
C58 C53 C54 O6 -178.6(2) . .
P3 C53 C54 O6 6.1(3) . .
C58 C53 C54 C55 0.1(4) . .
P3 C53 C54 C55 -175.2(2) . .
O6 C54 C55 C56 179.7(3) . .
C53 C54 C55 C56 1.2(4) . .
C54 C55 C56 C57 -2.0(5) . .
C55 C56 C57 C58 1.5(5) . .
C56 C57 C58 C53 -0.2(4) . .
C54 C53 C58 C57 -0.6(4) . .
P3 C53 C58 C57 174.4(2) . .
F8 K2 O8 C64 -81.9(4) . .
F3 K2 O8 C64 15.6(5) . .
F5 K2 O8 C64 -128.9(4) . .
O3 K2 O8 C64 -165.0(4) . .
O2 K2 O8 C64 79.9(4) . .
F7 K2 O8 C64 -49.2(4) . .
P2 K2 O8 C64 161.7(4) . .
B3 K2 O8 C64 -68.9(4) . .
P1 K2 O8 C64 30.0(4) . .
K3 K2 O8 C64 -25.4(4) . .
K1 K2 O8 C64 -30.2(6) . .
K2 O8 C64 C66 -170.2(4) . .
K2 O8 C64 C65 7.9(6) . .
F2 K3 O9 C67 115.1(3) . .
F6 K3 O9 C67 34.5(3) 2_665 .
F7 K3 O9 C67 -94.2(3) . .
F9 K3 O9 C67 -50.7(3) . .
O1 K3 O9 C67 -155.7(3) . .
F3 K3 O9 C67 95.6(3) . .
B3 K3 O9 C67 -66.1(3) . .
F8 K3 O9 C67 -48.2(4) . .
B1 K3 O9 C67 108.3(3) . .
C19 K3 O9 C67 -136.7(3) . .
P1 K3 O9 C67 172.5(3) . .
K3 O9 C67 C69 -141.3(3) . .
K3 O9 C67 C68 36.0(5) . .
