#------------------------------------------------------------------------------
#$Date: 2019-11-23 11:53:59 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233181 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/86/4348611.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_4348611
loop_
_publ_author_name
'Ooi, Shota'
'Tanaka, Takayuki'
'Osuka, Atsuhiro'
_publ_section_title
;
 Metal Complexes of meso-meso Linked Corrole Dimers.
;
_journal_issue                   17
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8920
_journal_page_last               8927
_journal_paper_doi               10.1021/acs.inorgchem.6b01422
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety
'2.5(C82 H36 Co2 F20 N12), 3(C5 H12), C5, 0.5(C H2 Cl2)'
_chemical_formula_sum            'C225.5 H127 Cl Co5 F50 N30'
_chemical_formula_weight         4536.67
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 97.83(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   24.891(4)
_cell_length_b                   56.715(18)
_cell_length_c                   28.901(7)
_cell_measurement_reflns_used    4743
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      67.5
_cell_measurement_theta_min      25.2
_cell_volume                     40419(18)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      93(2)
_diffrn_detector_area_resol_mean 5.8140
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.1320
_diffrn_reflns_av_unetI/netI     0.0982
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       66
_diffrn_reflns_limit_k_min       -61
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            252381
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        64.998
_diffrn_reflns_theta_max         64.998
_diffrn_reflns_theta_min         6.589
_exptl_absorpt_coefficient_mu    4.229
_exptl_absorpt_correction_T_max  0.919
_exptl_absorpt_correction_T_min  0.903
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.491
_exptl_crystal_description       prism
_exptl_crystal_F_000             18384
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.863
_refine_diff_density_min         -0.532
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.139
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3247
_refine_ls_number_reflns         34258
_refine_ls_number_restraints     1796
_refine_ls_restrained_S_all      1.130
_refine_ls_R_factor_all          0.1945
_refine_ls_R_factor_gt           0.0851
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0950P)²+312.9137P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1971
_refine_ls_wR_factor_ref         0.2988
_reflns_Friedel_coverage         0.000
_reflns_number_gt                16599
_reflns_number_total             34258
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            revised-10Co.cif
_cod_data_source_block           150701o2
_cod_original_sg_symbol_H-M      'I 2/a'
_cod_original_formula_sum        'C225.50 H127 Cl Co5 F50 N30'
_cod_database_code               4348611
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
N1 N 0.0662(3) 0.55056(14) 0.1420(3) 0.066(2) Uani 1 1 d . . . . .
N2 N 0.1139(3) 0.56278(12) 0.2171(3) 0.0532(18) Uani 1 1 d . . . . .
N3 N 0.0235(3) 0.56522(11) 0.2585(2) 0.0407(15) Uani 1 1 d . . . . .
N4 N 0.0504(3) 0.52417(12) 0.2178(3) 0.0562(18) Uani 1 1 d . . . . .
N5 N 0.0296(3) 0.59106(14) 0.1793(3) 0.059(2) Uani 1 1 d . . . . .
N6 N -0.2758(2) 0.53966(10) 0.3488(2) 0.0392(15) Uani 1 1 d . . . . .
N7 N -0.3053(2) 0.57428(11) 0.3020(2) 0.0447(16) Uani 1 1 d . . . . .
N8 N -0.2136(2) 0.57682(10) 0.2625(2) 0.0402(15) Uani 1 1 d . . . . .
N9 N -0.1800(2) 0.53701(10) 0.3159(2) 0.0396(15) Uani 1 1 d . . . . .
N10 N -0.2065(2) 0.57740(11) 0.3581(2) 0.0424(15) Uani 1 1 d . . . . .
N11 N -0.2741(3) 0.53620(11) 0.2554(2) 0.0463(16) Uani 1 1 d . . . . .
N12 N -0.0178(3) 0.08912(11) -0.0917(2) 0.0448(16) Uani 1 1 d . . . . .
N13 N -0.0081(3) 0.11860(14) -0.1510(2) 0.0588(19) Uani 1 1 d . . . . .
N14 N 0.0236(3) 0.15242(13) -0.0885(3) 0.068(2) Uani 1 1 d . . . . .
N15 N 0.0131(3) 0.11806(10) -0.0200(2) 0.0449(16) Uani 1 1 d . . . . .
N16 N 0.0806(3) 0.11169(11) -0.0852(2) 0.0490(17) Uani 1 1 d . . . . .
N17 N -0.0723(3) 0.13031(13) -0.0843(3) 0.066(2) Uani 1 1 d . . . . .
N18 N 0.0307(3) 0.22161(13) 0.1731(3) 0.063(2) Uani 1 1 d . . . . .
N19 N 0.1280(3) 0.22381(14) 0.1656(3) 0.066(2) Uani 1 1 d . . . . .
N20 N 0.1168(3) 0.19966(13) 0.0849(3) 0.064(2) Uani 1 1 d . . . . .
N21 N 0.0054(3) 0.19765(11) 0.0938(3) 0.060(2) Uani 1 1 d . . . . .
N22 N 0.0810(4) 0.17991(15) 0.1613(3) 0.086(3) Uani 1 1 d . . . . .
N23 N 0.0620(3) 0.23957(10) 0.0897(2) 0.0465(16) Uani 1 1 d . . . . .
N24 N 0.5589(13) 0.3056(6) 0.0769(9) 0.058(7) Uani 0.5 1 d . U P A 3
N25 N 0.5345(13) 0.3282(4) 0.0294(10) 0.056(6) Uani 0.5 1 d . U P A 4
N26 N 0.6317(3) 0.33710(15) -0.0040(2) 0.069(2) Uani 1 1 d . . . . .
N27 N 0.6666(3) 0.30303(13) 0.0638(2) 0.0579(19) Uani 1 1 d . . . . .
N28 N 0.6227(3) 0.34492(13) 0.0868(3) 0.0565(19) Uani 1 1 d . . . . .
C1 C -0.0257(3) 0.09749(19) -0.1698(3) 0.061(2) Uani 1 1 d . . . . .
C2 C -0.0327(4) 0.1001(2) -0.2196(3) 0.073(3) Uani 1 1 d . . . . .
H1 H -0.0442 0.0883 -0.2421 0.088 Uiso 1 1 calc R U . . .
C3 C -0.0197(4) 0.1229(2) -0.2286(4) 0.084(3) Uani 1 1 d . . . . .
H2 H -0.0208 0.1298 -0.2587 0.101 Uiso 1 1 calc R U . . .
C4 C -0.0044(4) 0.1346(2) -0.1854(4) 0.073(3) Uani 1 1 d . . . . .
C5 C 0.0107(5) 0.1578(2) -0.1744(5) 0.089(4) Uani 1 1 d . . . . .
C6 C 0.0234(5) 0.16602(19) -0.1286(5) 0.085(3) Uani 1 1 d . . . . .
C7 C 0.0378(6) 0.18978(19) -0.1132(6) 0.113(5) Uani 1 1 d . . . . .
H3 H 0.0414 0.2029 -0.1330 0.136 Uiso 1 1 calc R U . . .
C8 C 0.0453(5) 0.19030(19) -0.0664(6) 0.108(5) Uani 1 1 d . . . . .
H4 H 0.0545 0.2038 -0.0474 0.129 Uiso 1 1 calc R U . . .
C9 C 0.0368(5) 0.16670(16) -0.0499(4) 0.079(3) Uani 1 1 d . . . . .
C10 C 0.0392(4) 0.15940(15) -0.0039(4) 0.069(3) Uani 1 1 d . . . . .
C11 C 0.0287(4) 0.13643(14) 0.0096(3) 0.054(2) Uani 1 1 d . . . . .
C12 C 0.0323(3) 0.12772(14) 0.0567(3) 0.055(2) Uani 1 1 d . . . . .
H5 H 0.0417 0.1367 0.0844 0.066 Uiso 1 1 calc R U . . .
C13 C 0.0200(3) 0.10452(13) 0.0546(3) 0.048(2) Uani 1 1 d . . . . .
H6 H 0.0198 0.0942 0.0806 0.058 Uiso 1 1 calc R U . . .
C14 C 0.0074(3) 0.09817(13) 0.0064(3) 0.0426(19) Uani 1 1 d . . . . .
C15 C -0.0092(3) 0.07594(12) -0.0116(3) 0.0407(18) Uani 1 1 d . . . . .
C16 C -0.0221(3) 0.07170(13) -0.0598(3) 0.0430(19) Uani 1 1 d . . . . .
C17 C -0.0396(3) 0.05110(15) -0.0854(3) 0.052(2) Uani 1 1 d . . . . .
H7 H -0.0465 0.0362 -0.0725 0.062 Uiso 1 1 calc R U . . .
C18 C -0.0449(3) 0.05651(17) -0.1323(3) 0.057(2) Uani 1 1 d . . . . .
H8 H -0.0560 0.0461 -0.1575 0.068 Uiso 1 1 calc R U . . .
C19 C -0.0309(3) 0.08025(16) -0.1358(3) 0.051(2) Uani 1 1 d . . . . .
C20 C 0.1156(4) 0.2344(2) 0.2054(4) 0.081(3) Uani 1 1 d . . . . .
C21 C 0.1634(5) 0.2464(3) 0.2251(4) 0.105(4) Uani 1 1 d . . . . .
H9 H 0.1676 0.2552 0.2533 0.126 Uiso 1 1 calc R U . . .
C22 C 0.2023(4) 0.2430(2) 0.1967(4) 0.098(4) Uani 1 1 d . . . . .
H10 H 0.2382 0.2491 0.2015 0.118 Uiso 1 1 calc R U . . .
C23 C 0.1793(4) 0.22862(18) 0.1589(4) 0.068(3) Uani 1 1 d . . . . .
C24 C 0.2016(4) 0.21965(18) 0.1208(4) 0.071(3) Uani 1 1 d . . . . .
C25 C 0.1716(4) 0.20520(17) 0.0870(4) 0.068(3) Uani 1 1 d . . . . .
C26 C 0.1918(5) 0.19253(19) 0.0496(4) 0.083(3) Uani 1 1 d . . . . .
H11 H 0.2279 0.1930 0.0423 0.100 Uiso 1 1 calc R U . . .
C27 C 0.1505(5) 0.17990(19) 0.0267(4) 0.085(3) Uani 1 1 d . . . . .
H12 H 0.1526 0.1696 0.0011 0.102 Uiso 1 1 calc R U . . .
C28 C 0.1023(4) 0.18491(16) 0.0484(4) 0.072(3) Uani 1 1 d . . . . .
C29 C 0.0490(4) 0.17680(15) 0.0344(4) 0.071(3) Uani 1 1 d . . . . .
C30 C 0.0036(4) 0.18368(14) 0.0550(4) 0.070(3) Uani 1 1 d . . . . .
C32 C -0.0465(4) 0.19841(15) 0.1065(4) 0.069(3) Uani 1 1 d . . . . .
C33 C -0.0603(4) 0.20850(17) 0.1479(4) 0.068(3) Uani 1 1 d . . . . .
C34 C -0.0218(4) 0.21924(18) 0.1809(3) 0.068(3) Uani 1 1 d . . . . .
C35 C -0.0254(5) 0.2289(3) 0.2256(4) 0.114(5) Uani 1 1 d . . . . .
H13 H -0.0572 0.2296 0.2405 0.137 Uiso 1 1 calc R U . . .
C36 C 0.0248(5) 0.2371(3) 0.2436(4) 0.120(5) Uani 1 1 d . . . . .
H14 H 0.0341 0.2447 0.2728 0.144 Uiso 1 1 calc R U . . .
C37 C 0.0606(4) 0.2319(2) 0.2106(4) 0.082(3) Uani 1 1 d . . . . .
C38 C 0.1007(4) 0.09207(14) -0.0632(3) 0.052(2) Uani 1 1 d . . . . .
H15 H 0.0764 0.0817 -0.0506 0.062 Uiso 1 1 calc R U . . .
C39 C 0.1554(4) 0.08623(16) -0.0582(3) 0.059(2) Uani 1 1 d . . . . .
H16 H 0.1681 0.0723 -0.0418 0.071 Uiso 1 1 calc R U . . .
C40 C 0.1908(4) 0.10061(18) -0.0769(3) 0.065(3) Uani 1 1 d . . . . .
H17 H 0.2284 0.0971 -0.0735 0.078 Uiso 1 1 calc R U . . .
C41 C 0.1703(4) 0.12030(18) -0.1006(3) 0.069(3) Uani 1 1 d . . . . .
H18 H 0.1939 0.1306 -0.1143 0.083 Uiso 1 1 calc R U . . .
C42 C 0.1154(4) 0.12518(16) -0.1047(3) 0.061(2) Uani 1 1 d . . . . .
H19 H 0.1019 0.1386 -0.1221 0.073 Uiso 1 1 calc R U . . .
C43 C -0.0931(5) 0.1486(2) -0.1090(5) 0.133(6) Uani 1 1 d . . . . .
H20 H -0.0727 0.1559 -0.1306 0.160 Uiso 1 1 calc R U . . .
C44 C -0.1441(6) 0.1572(3) -0.1039(6) 0.153(6) Uani 1 1 d . U . . .
H21 H -0.1566 0.1713 -0.1194 0.183 Uiso 1 1 calc R U . . .
C45 C -0.1767(5) 0.1457(2) -0.0769(6) 0.122(6) Uani 1 1 d . . . . .
H22 H -0.2130 0.1506 -0.0759 0.146 Uiso 1 1 calc R U . . .
C46 C -0.1557(4) 0.12760(18) -0.0523(4) 0.074(3) Uani 1 1 d . . . . .
H23 H -0.1765 0.1194 -0.0322 0.089 Uiso 1 1 calc R U . . .
C47 C -0.1037(4) 0.12056(15) -0.0558(3) 0.056(2) Uani 1 1 d . . . . .
H24 H -0.0891 0.1079 -0.0366 0.067 Uiso 1 1 calc R U . . .
C48 C -0.0093(3) 0.05593(12) 0.0212(3) 0.0401(18) Uani 1 1 d . . . . .
C49 C 0.0268(3) 0.03767(13) 0.0205(3) 0.0406(18) Uani 1 1 d . . . . .
C50 C 0.0287(3) 0.01877(13) 0.0495(3) 0.0435(19) Uani 1 1 d . . . . .
C51 C -0.0076(3) 0.01725(13) 0.0815(3) 0.0429(19) Uani 1 1 d . . . . .
C52 C -0.0443(3) 0.03493(13) 0.0837(3) 0.0434(19) Uani 1 1 d . . . . .
C53 C -0.0453(3) 0.05382(12) 0.0537(3) 0.0405(18) Uani 1 1 d . . . . .
C54 C 0.0068(10) 0.1704(4) -0.2215(8) 0.081(4) Uani 0.550(5) 1 d . U P B 1
C55 C 0.0510(11) 0.1803(5) -0.2330(10) 0.086(5) Uani 0.550(5) 1 d . U P B 1
C56 C 0.0526(12) 0.1940(5) -0.2727(11) 0.099(5) Uani 0.550(5) 1 d . U P B 1
C57 C 0.0070(11) 0.1987(4) -0.2998(9) 0.101(4) Uani 0.550(5) 1 d . U P B 1
C58 C -0.0409(10) 0.1897(4) -0.2894(8) 0.102(4) Uani 0.550(5) 1 d . U P B 1
C59 C -0.0371(9) 0.1757(4) -0.2488(7) 0.087(4) Uani 0.550(5) 1 d . U P B 1
C60 C -0.0251(5) 0.1967(2) -0.2087(4) 0.060(4) Uani 0.450(5) 1 d G U P B 2
C61 C 0.0135(6) 0.1789(2) -0.2062(5) 0.054(4) Uani 0.450(5) 1 d G U P B 2
C62 C 0.0473(6) 0.1771(3) -0.2406(6) 0.051(4) Uani 0.450(5) 1 d G U P B 2
C63 C 0.0425(6) 0.1931(3) -0.2774(5) 0.052(4) Uani 0.450(5) 1 d G U P B 2
C64 C 0.0038(6) 0.2109(2) -0.2798(4) 0.051(4) Uani 0.450(5) 1 d G U P B 2
C65 C -0.0300(5) 0.2127(2) -0.2454(5) 0.060(4) Uani 0.450(5) 1 d G U P B 2
C66 C 0.0392(5) 0.16614(19) 0.1711(5) 0.104(4) Uani 1 1 d . . . . .
H25 H 0.0033 0.1718 0.1627 0.125 Uiso 1 1 calc R U . . .
C67 C 0.0461(6) 0.1449(2) 0.1920(5) 0.111(4) Uani 1 1 d . . . . .
H26 H 0.0155 0.1357 0.1973 0.133 Uiso 1 1 calc R U . . .
C68 C 0.0973(7) 0.1365(2) 0.2054(5) 0.113(5) Uani 1 1 d . . . . .
H27 H 0.1027 0.1215 0.2198 0.135 Uiso 1 1 calc R U . . .
C69 C 0.1408(6) 0.1500(2) 0.1978(4) 0.096(4) Uani 1 1 d . . . . .
H28 H 0.1769 0.1449 0.2079 0.115 Uiso 1 1 calc R U . . .
C70 C 0.1308(5) 0.17155(19) 0.1746(4) 0.085(3) Uani 1 1 d . . . . .
H29 H 0.1609 0.1807 0.1681 0.102 Uiso 1 1 calc R U . . .
C71 C 0.0717(3) 0.26086(14) 0.1083(3) 0.057(2) Uani 1 1 d . . . . .
H30 H 0.0802 0.2620 0.1413 0.068 Uiso 1 1 calc R U . . .
C72 C 0.0702(4) 0.28135(15) 0.0829(3) 0.065(3) Uani 1 1 d . . . . .
H31 H 0.0771 0.2961 0.0979 0.078 Uiso 1 1 calc R U . . .
C73 C 0.0585(4) 0.27998(15) 0.0350(4) 0.063(3) Uani 1 1 d . . . . .
H32 H 0.0578 0.2938 0.0163 0.075 Uiso 1 1 calc R U . . .
C74 C 0.0479(3) 0.25819(15) 0.0149(3) 0.057(2) Uani 1 1 d . . . . .
H33 H 0.0393 0.2567 -0.0180 0.068 Uiso 1 1 calc R U . . .
C75 C 0.0500(3) 0.23859(14) 0.0428(3) 0.050(2) Uani 1 1 d . . . . .
H34 H 0.0427 0.2236 0.0285 0.060 Uiso 1 1 calc R U . . .
C82 C -0.1174(4) 0.2054(2) 0.1642(5) 0.057(4) Uani 0.550(5) 1 d G U P B 1
C83 C -0.1235(4) 0.1867(2) 0.1943(5) 0.060(4) Uani 0.550(5) 1 d G U P B 1
C84 C -0.1746(5) 0.1809(2) 0.2050(4) 0.064(4) Uani 0.550(5) 1 d G U P B 1
C85 C -0.2197(4) 0.1938(2) 0.1856(4) 0.066(4) Uani 0.550(5) 1 d G U P B 1
C86 C -0.2136(5) 0.2124(2) 0.1555(5) 0.071(4) Uani 0.550(5) 1 d G U P B 1
C87 C -0.1624(6) 0.2182(2) 0.1448(5) 0.083(7) Uani 0.550(5) 1 d G . P B 1
C88 C 0.1201(5) 0.55263(18) 0.1413(4) 0.073(3) Uani 1 1 d . . . . .
C89 C 0.1303(6) 0.5482(2) 0.0952(4) 0.111(5) Uani 1 1 d . . . . .
H35 H 0.1648 0.5481 0.0847 0.133 Uiso 1 1 calc R U . . .
C90 C 0.0812(7) 0.5440(3) 0.0683(5) 0.145(7) Uani 1 1 d . . . . .
H36 H 0.0758 0.5408 0.0357 0.174 Uiso 1 1 calc R U . . .
C91 C 0.0396(5) 0.5451(2) 0.0983(4) 0.103(4) Uani 1 1 d . . . . .
C93 C -0.0495(5) 0.5443(2) 0.1264(3) 0.082(3) Uani 1 1 d . . . . .
C94 C -0.1058(5) 0.5404(2) 0.1220(4) 0.094(4) Uani 1 1 d . . . . .
H37 H -0.1285 0.5361 0.0942 0.113 Uiso 1 1 calc R U . . .
C95 C -0.1221(4) 0.54397(16) 0.1639(3) 0.064(3) Uani 1 1 d . . . . .
H38 H -0.1580 0.5424 0.1712 0.077 Uiso 1 1 calc R U . . .
C96 C -0.0752(4) 0.55056(14) 0.1956(3) 0.050(2) Uani 1 1 d . . . . .
C97 C -0.0740(3) 0.55747(13) 0.2425(3) 0.0416(18) Uani 1 1 d . . . . .
C98 C -0.0272(3) 0.56507(12) 0.2715(2) 0.0397(18) Uani 1 1 d . . . . .
C99 C -0.0248(3) 0.57424(13) 0.3179(3) 0.0441(19) Uani 1 1 d . . . . .
H39 H -0.0544 0.5762 0.3351 0.053 Uiso 1 1 calc R U . . .
C100 C 0.0281(3) 0.57952(13) 0.3325(3) 0.047(2) Uani 1 1 d . . . . .
H40 H 0.0422 0.5859 0.3620 0.056 Uiso 1 1 calc R U . . .
C101 C 0.0587(3) 0.57385(13) 0.2956(3) 0.0446(19) Uani 1 1 d . . . . .
C102 C 0.1147(3) 0.57653(14) 0.2964(3) 0.051(2) Uani 1 1 d . . . . .
C103 C 0.1426(4) 0.57069(15) 0.2580(3) 0.057(2) Uani 1 1 d . . . . .
C104 C 0.1985(4) 0.57191(16) 0.2510(4) 0.070(3) Uani 1 1 d . . . . .
H41 H 0.2281 0.5767 0.2733 0.084 Uiso 1 1 calc R U . . .
C105 C 0.2007(4) 0.56479(16) 0.2054(4) 0.073(3) Uani 1 1 d . . . . .
H42 H 0.2326 0.5638 0.1909 0.088 Uiso 1 1 calc R U . . .
C106 C 0.1481(4) 0.55924(16) 0.1842(4) 0.063(3) Uani 1 1 d . . . . .
C107 C -0.3273(3) 0.54614(14) 0.3540(3) 0.0447(19) Uani 1 1 d . . . . .
C108 C -0.3472(3) 0.53006(14) 0.3855(3) 0.049(2) Uani 1 1 d . . . . .
H43 H -0.3819 0.5305 0.3956 0.058 Uiso 1 1 calc R U . . .
C109 C -0.3070(3) 0.51379(14) 0.3985(3) 0.050(2) Uani 1 1 d . . . . .
H44 H -0.3087 0.5010 0.4194 0.061 Uiso 1 1 calc R U . . .
C110 C -0.2618(3) 0.51984(13) 0.3746(3) 0.0435(19) Uani 1 1 d . . . . .
C111 C -0.2110(3) 0.50928(13) 0.3729(2) 0.0416(18) Uani 1 1 d . . . . .
C112 C -0.1730(3) 0.51744(13) 0.3449(2) 0.0394(18) Uani 1 1 d . . . . .
C113 C -0.1200(3) 0.50771(13) 0.3417(3) 0.0422(19) Uani 1 1 d . . . . .
H45 H -0.1045 0.4943 0.3580 0.051 Uiso 1 1 calc R U . . .
C114 C -0.0964(3) 0.52105(13) 0.3116(3) 0.0412(18) Uani 1 1 d . . . . .
H46 H -0.0614 0.5187 0.3029 0.049 Uiso 1 1 calc R U . . .
C115 C -0.1335(3) 0.53933(13) 0.2950(2) 0.0395(18) Uani 1 1 d . . . . .
C116 C -0.1262(3) 0.55720(12) 0.2626(2) 0.0396(18) Uani 1 1 d . . . . .
C117 C -0.1640(3) 0.57475(13) 0.2477(2) 0.0396(18) Uani 1 1 d . . . . .
C118 C -0.1580(3) 0.59329(14) 0.2154(3) 0.049(2) Uani 1 1 d . . . . .
H47 H -0.1273 0.5960 0.1998 0.059 Uiso 1 1 calc R U . . .
C119 C -0.2039(3) 0.60627(15) 0.2112(3) 0.056(2) Uani 1 1 d . . . . .
H48 H -0.2113 0.6198 0.1919 0.067 Uiso 1 1 calc R U . . .
C120 C -0.2395(3) 0.59619(15) 0.2407(3) 0.051(2) Uani 1 1 d . . . . .
C121 C -0.2909(4) 0.60443(15) 0.2469(3) 0.053(2) Uani 1 1 d . . . . .
C122 C -0.3243(3) 0.59343(15) 0.2754(3) 0.052(2) Uani 1 1 d . . . . .
C123 C -0.3792(4) 0.59729(16) 0.2850(3) 0.059(2) Uani 1 1 d . . . . .
H49 H -0.4028 0.6095 0.2721 0.070 Uiso 1 1 calc R U . . .
C124 C -0.3912(3) 0.58035(16) 0.3157(3) 0.055(2) Uani 1 1 d . . . . .
H50 H -0.4248 0.5785 0.3275 0.066 Uiso 1 1 calc R U . . .
C125 C -0.3447(3) 0.56625(14) 0.3266(3) 0.047(2) Uani 1 1 d . . . . .
C126 C -0.2741(3) 0.51273(15) 0.2601(3) 0.052(2) Uani 1 1 d . . . . .
H51 H -0.2571 0.5062 0.2886 0.062 Uiso 1 1 calc R U . . .
C127 C -0.2971(4) 0.49753(16) 0.2259(3) 0.062(2) Uani 1 1 d . . . . .
H52 H -0.2964 0.4810 0.2307 0.074 Uiso 1 1 calc R U . . .
C128 C -0.3214(4) 0.50723(19) 0.1841(3) 0.074(3) Uani 1 1 d . . . . .
H53 H -0.3379 0.4974 0.1596 0.089 Uiso 1 1 calc R U . . .
C129 C -0.3213(4) 0.53098(19) 0.1787(3) 0.074(3) Uani 1 1 d . . . . .
H54 H -0.3369 0.5379 0.1501 0.088 Uiso 1 1 calc R U . . .
C130 C -0.2984(3) 0.54503(17) 0.2153(3) 0.059(2) Uani 1 1 d . . . . .
H55 H -0.3000 0.5617 0.2116 0.071 Uiso 1 1 calc R U . . .
C131 C -0.1810(3) 0.56798(15) 0.3982(3) 0.048(2) Uani 1 1 d . . . . .
H56 H -0.1799 0.5513 0.4015 0.057 Uiso 1 1 calc R U . . .
C132 C -0.1565(3) 0.58171(16) 0.4340(3) 0.054(2) Uani 1 1 d . . . . .
H57 H -0.1386 0.5744 0.4615 0.064 Uiso 1 1 calc R U . . .
C133 C -0.1575(3) 0.60567(17) 0.4306(3) 0.057(2) Uani 1 1 d . . . . .
H58 H -0.1406 0.6153 0.4554 0.069 Uiso 1 1 calc R U . . .
C134 C -0.1836(3) 0.61548(16) 0.3906(3) 0.058(2) Uani 1 1 d . . . . .
H59 H -0.1855 0.6321 0.3872 0.069 Uiso 1 1 calc R U . . .
C135 C -0.2070(3) 0.60108(14) 0.3553(3) 0.052(2) Uani 1 1 d . . . . .
H60 H -0.2244 0.6082 0.3275 0.062 Uiso 1 1 calc R U . . .
C136 C 0.0746(3) 0.51807(16) 0.2611(3) 0.058(2) Uani 1 1 d . . . . .
H61 H 0.0878 0.5302 0.2823 0.070 Uiso 1 1 calc R U . . .
C137 C 0.0807(4) 0.49490(18) 0.2757(4) 0.072(3) Uani 1 1 d . . . . .
H62 H 0.0968 0.4913 0.3066 0.086 Uiso 1 1 calc R U . . .
C138 C 0.0636(5) 0.4772(2) 0.2452(5) 0.093(4) Uani 1 1 d . . . . .
H63 H 0.0681 0.4612 0.2543 0.112 Uiso 1 1 calc R U . . .
C139 C 0.0396(5) 0.4832(2) 0.2010(5) 0.092(4) Uani 1 1 d . . . . .
H64 H 0.0269 0.4712 0.1792 0.110 Uiso 1 1 calc R U . . .
C140 C 0.0342(4) 0.50640(19) 0.1886(4) 0.076(3) Uani 1 1 d . . . . .
H65 H 0.0180 0.5101 0.1578 0.092 Uiso 1 1 calc R U . . .
C141 C 0.0478(5) 0.60856(18) 0.2079(4) 0.077(3) Uani 1 1 d . . . . .
H66 H 0.0668 0.6046 0.2377 0.092 Uiso 1 1 calc R U . . .
C142 C 0.0403(5) 0.63255(18) 0.1965(4) 0.095(4) Uani 1 1 d . . . . .
H67 H 0.0541 0.6446 0.2177 0.115 Uiso 1 1 calc R U . . .
C143 C 0.0119(6) 0.6380(3) 0.1529(6) 0.113(6) Uani 1 1 d . . . . .
H68 H 0.0047 0.6539 0.1439 0.136 Uiso 1 1 calc R U . . .
C144 C -0.0051(5) 0.6204(3) 0.1242(5) 0.101(5) Uani 1 1 d . . . . .
H69 H -0.0234 0.6240 0.0940 0.121 Uiso 1 1 calc R U . . .
C145 C 0.0029(4) 0.5971(2) 0.1370(3) 0.079(3) Uani 1 1 d . . . . .
H70 H -0.0105 0.5850 0.1157 0.095 Uiso 1 1 calc R U . . .
C146 C 0.1458(2) 0.58753(11) 0.33850(18) 0.056(2) Uani 1 1 d G . . . .
C147 C 0.1750(2) 0.57396(10) 0.3733(2) 0.062(2) Uani 1 1 d G . . . .
C148 C 0.1995(2) 0.58459(15) 0.41413(19) 0.073(3) Uani 1 1 d G . . . .
C149 C 0.1949(3) 0.60878(16) 0.4202(2) 0.085(3) Uani 1 1 d G . . . .
C150 C 0.1657(3) 0.62235(10) 0.3854(3) 0.103(4) Uani 1 1 d G . . . .
C151 C 0.1412(3) 0.61173(10) 0.3445(3) 0.084(3) Uani 1 1 d G . . . .
C152 C -0.1968(2) 0.48741(7) 0.40158(15) 0.0414(18) Uani 1 1 d G . . . .
C153 C -0.1937(2) 0.46582(8) 0.37932(12) 0.0448(19) Uani 1 1 d G . . . .
C154 C -0.1788(2) 0.44570(6) 0.40541(16) 0.050(2) Uani 1 1 d G . . . .
C155 C -0.1671(2) 0.44715(7) 0.45374(16) 0.049(2) Uani 1 1 d G . . . .
C156 C -0.1703(2) 0.46873(9) 0.47600(11) 0.047(2) Uani 1 1 d G . . . .
C157 C -0.1852(2) 0.48886(7) 0.44991(15) 0.047(2) Uani 1 1 d G . . . .
C158 C -0.3105(3) 0.62569(11) 0.2190(2) 0.070(3) Uani 1 1 d G . . . .
C159 C -0.3323(3) 0.62303(14) 0.1724(3) 0.090(4) Uani 1 1 d G . . . .
C160 C -0.3430(3) 0.64277(19) 0.1441(2) 0.113(5) Uani 1 1 d G . . . .
C161 C -0.3318(4) 0.66518(16) 0.1625(3) 0.112(5) Uani 1 1 d G . . . .
C162 C -0.3100(4) 0.66784(11) 0.2090(3) 0.111(4) Uani 1 1 d G . . . .
C163 C -0.2993(3) 0.64810(13) 0.2373(2) 0.093(4) Uani 1 1 d G . . . .
C164 C 0.5051(12) 0.3119(5) 0.0737(11) 0.059(6) Uani 0.5 1 d . U P A 3
C165 C 0.4832(12) 0.2971(5) 0.1052(10) 0.074(6) Uani 0.5 1 d . U P A 3
H147 H 0.4462 0.2970 0.1100 0.089 Uiso 0.5 1 calc R U P A 3
C166 C 0.5217(11) 0.2832(5) 0.1276(9) 0.065(6) Uani 0.5 1 d . U P A 3
H148 H 0.5180 0.2719 0.1512 0.079 Uiso 0.5 1 calc R U P A 3
C167 C 0.5716(10) 0.2892(6) 0.1071(10) 0.061(6) Uani 0.5 1 d . U P A 3
C168 C 0.6336(5) 0.27925(18) 0.1256(4) 0.086(3) Uani 1 1 d . . . . .
C169 C 0.6738(4) 0.28635(17) 0.0994(4) 0.069(3) Uani 1 1 d . . . . .
C170 C 0.7289(4) 0.27816(17) 0.1030(4) 0.074(3) Uani 1 1 d . . . . .
H73 H 0.7453 0.2668 0.1247 0.089 Uiso 1 1 calc R U . . .
C171 C 0.7531(4) 0.28945(16) 0.0701(3) 0.063(2) Uani 1 1 d . . . . .
H74 H 0.7895 0.2873 0.0642 0.076 Uiso 1 1 calc R U . . .
C172 C 0.7143(4) 0.30501(16) 0.0458(3) 0.056(2) Uani 1 1 d . . . . .
C173 C 0.7223(3) 0.32012(16) 0.0085(3) 0.054(2) Uani 1 1 d . . . . .
C174 C 0.6839(4) 0.33542(19) -0.0147(3) 0.066(3) Uani 1 1 d . . . . .
C175 C 0.6904(5) 0.3511(2) -0.0522(4) 0.089(3) Uani 1 1 d . . . . .
H75 H 0.7226 0.3535 -0.0659 0.107 Uiso 1 1 calc R U . . .
C176 C 0.6422(5) 0.3617(3) -0.0643(4) 0.115(5) Uani 1 1 d . . . . .
H76 H 0.6339 0.3730 -0.0885 0.138 Uiso 1 1 calc R U . . .
C177 C 0.6054(5) 0.3530(2) -0.0341(4) 0.091(4) Uani 1 1 d . . . . .
C178 C 0.5493(5) 0.3592(3) -0.0368(4) 0.098(4) Uani 1 1 d . . . . .
C179 C 0.5136(13) 0.3439(5) -0.0033(10) 0.055(6) Uani 0.5 1 d . U P A 4
C180 C 0.4550(11) 0.3481(5) 0.0001(10) 0.055(6) Uani 0.5 1 d . U P A 4
H149 H 0.4298 0.3580 -0.0183 0.066 Uiso 0.5 1 calc R U P A 4
C181 C 0.4472(12) 0.3335(4) 0.0374(7) 0.050(5) Uani 0.5 1 d . U P A 4
H150 H 0.4135 0.3318 0.0492 0.060 Uiso 0.5 1 calc R U P A 4
C182 C 0.4945(12) 0.3219(5) 0.0553(9) 0.046(6) Uani 0.5 1 d . U P A 4
C183 C 0.6495(4) 0.34012(19) 0.1292(3) 0.074(3) Uani 1 1 d . . . . .
H79 H 0.6561 0.3242 0.1383 0.089 Uiso 1 1 calc R U . . .
C184 C 0.6675(5) 0.3579(2) 0.1595(4) 0.094(4) Uani 1 1 d . . . . .
H80 H 0.6868 0.3541 0.1892 0.113 Uiso 1 1 calc R U . . .
C185 C 0.6583(5) 0.3811(2) 0.1478(5) 0.092(4) Uani 1 1 d . . . . .
H81 H 0.6710 0.3934 0.1689 0.110 Uiso 1 1 calc R U . . .
C186 C 0.6306(4) 0.38591(18) 0.1056(4) 0.074(3) Uani 1 1 d . . . . .
H82 H 0.6226 0.4018 0.0966 0.089 Uiso 1 1 calc R U . . .
C187 C 0.6139(4) 0.36762(18) 0.0753(3) 0.068(3) Uani 1 1 d . . . . .
H83 H 0.5955 0.3713 0.0451 0.081 Uiso 1 1 calc R U . . .
C188 C 0.5264(4) 0.3764(3) -0.0731(3) 0.117(5) Uani 1 1 d G . . . .
C189 C 0.5364(4) 0.4004(3) -0.0670(3) 0.136(7) Uani 1 1 d G . . . .
C190 C 0.5163(5) 0.4162(3) -0.1018(5) 0.167(10) Uani 1 1 d G . . . .
C191 C 0.4862(5) 0.4081(3) -0.1427(4) 0.149(8) Uani 1 1 d G . . . .
C192 C 0.4762(4) 0.3841(4) -0.1488(3) 0.141(8) Uani 1 1 d G . . . .
C193 C 0.4963(4) 0.3683(3) -0.1140(4) 0.136(7) Uani 1 1 d G . . . .
N30 N 0.5849(6) 0.2972(2) -0.0114(5) 0.061(5) Uani 0.54(2) 1 d G U P A 3
C194 C 0.5907(6) 0.2734(2) -0.0005(5) 0.068(5) Uani 0.54(2) 1 d G U P A 3
H84 H 0.5986 0.2686 0.0311 0.081 Uiso 0.54(2) 1 calc R U P A 3
C195 C 0.5848(6) 0.2566(2) -0.0360(6) 0.078(6) Uani 0.54(2) 1 d G U P A 3
H85 H 0.5888 0.2404 -0.0286 0.093 Uiso 0.54(2) 1 calc R U P A 3
C196 C 0.5732(7) 0.2637(3) -0.0823(6) 0.084(7) Uani 0.54(2) 1 d G U P A 3
H86 H 0.5692 0.2523 -0.1065 0.100 Uiso 0.54(2) 1 calc R U P A 3
C197 C 0.5674(7) 0.2875(3) -0.0932(5) 0.087(6) Uani 0.54(2) 1 d G U P A 3
H87 H 0.5595 0.2924 -0.1248 0.105 Uiso 0.54(2) 1 calc R U P A 3
C198 C 0.5733(6) 0.3043(2) -0.0577(5) 0.074(5) Uani 0.54(2) 1 d G U P A 3
H88 H 0.5693 0.3206 -0.0652 0.089 Uiso 0.54(2) 1 calc R U P A 3
N29 N 0.5869(7) 0.2891(2) 0.0056(4) 0.055(5) Uani 0.46(2) 1 d G U P A 4
C199 C 0.5798(7) 0.2920(3) -0.0427(5) 0.055(6) Uani 0.46(2) 1 d G U P A 4
H89 H 0.5781 0.3074 -0.0558 0.067 Uiso 0.46(2) 1 calc R U P A 4
C200 C 0.5751(7) 0.2723(3) -0.0717(4) 0.068(6) Uani 0.46(2) 1 d G U P A 4
H90 H 0.5703 0.2743 -0.1046 0.081 Uiso 0.46(2) 1 calc R U P A 4
C201 C 0.5776(8) 0.2498(3) -0.0525(6) 0.074(7) Uani 0.46(2) 1 d G U P A 4
H91 H 0.5744 0.2364 -0.0723 0.088 Uiso 0.46(2) 1 calc R U P A 4
C202 C 0.5847(7) 0.2470(2) -0.0042(6) 0.076(6) Uani 0.46(2) 1 d G U P A 4
H92 H 0.5864 0.2316 0.0089 0.091 Uiso 0.46(2) 1 calc R U P A 4
C203 C 0.5894(7) 0.2666(3) 0.0248(4) 0.069(6) Uani 0.46(2) 1 d G U P A 4
H93 H 0.5942 0.2647 0.0577 0.083 Uiso 0.46(2) 1 calc R U P A 4
N31 N -0.0315(3) 0.55071(13) 0.1718(2) 0.0558(19) Uani 1 1 d . . . . .
Co1 Co 0.60204(6) 0.31924(3) 0.04165(5) 0.0623(4) Uani 1 1 d . . . . .
F1 F 0.4869(3) 0.3458(2) -0.1221(3) 0.152(4) Uani 1 1 d . . . . .
F2 F 0.4469(3) 0.3756(2) -0.1881(3) 0.172(4) Uani 1 1 d . . . . .
F3 F 0.4657(4) 0.4226(2) -0.1762(3) 0.187(5) Uani 1 1 d . . . . .
F4 F 0.5252(5) 0.4386(2) -0.0975(4) 0.193(5) Uani 1 1 d . . . . .
F5 F 0.5643(4) 0.40836(16) -0.0291(3) 0.150(3) Uani 1 1 d . . . . .
Co2 Co 0.00350(5) 0.12048(2) -0.08597(5) 0.0507(4) Uani 1 1 d . . . . .
Co3 Co 0.07008(6) 0.21026(2) 0.12677(5) 0.0585(4) Uani 1 1 d . . . . .
F11 F -0.0796(8) 0.1720(4) 0.2071(6) 0.070(4) Uani 0.550(5) 1 d . U P B 1
F12 F -0.1780(8) 0.1643(3) 0.2370(7) 0.107(5) Uani 0.550(5) 1 d . U P B 1
F13 F -0.2695(4) 0.1876(2) 0.1950(4) 0.078(3) Uani 0.550(5) 1 d . U P B 1
F14 F -0.2571(5) 0.2237(3) 0.1375(5) 0.109(4) Uani 0.550(5) 1 d . U P B 1
F15 F -0.1566(7) 0.2366(3) 0.1197(7) 0.130(6) Uani 0.550(5) 1 d . U P B 1
F16 F -0.08231(17) 0.07074(7) 0.05758(14) 0.0488(11) Uani 1 1 d . . . . .
F17 F -0.08037(18) 0.03343(7) 0.11439(14) 0.0499(11) Uani 1 1 d . . . . .
F18 F -0.00694(19) -0.00124(7) 0.11034(15) 0.0554(12) Uani 1 1 d . . . . .
F19 F 0.06582(18) 0.00159(7) 0.04687(16) 0.0547(12) Uani 1 1 d . . . . .
F20 F 0.06453(18) 0.03859(7) -0.00958(15) 0.0519(11) Uani 1 1 d . . . . .
F21 F -0.0589(6) 0.1995(2) -0.1758(5) 0.080(4) Uani 0.450(5) 1 d . U P B 2
F22 F -0.0676(5) 0.2294(2) -0.2479(5) 0.090(4) Uani 0.450(5) 1 d . U P B 2
F23 F 0.0002(5) 0.2256(2) -0.3155(4) 0.063(3) Uani 0.450(5) 1 d . U P B 2
F24 F 0.0848(5) 0.1608(2) -0.2379(4) 0.070(3) Uani 0.450(5) 1 d . U P B 2
F25 F 0.0741(6) 0.1913(2) -0.3098(4) 0.069(3) Uani 0.450(5) 1 d . U P B 2
F26 F 0.1027(5) 0.1747(2) -0.2102(5) 0.104(4) Uani 0.550(5) 1 d . U P B 1
F27 F 0.1009(6) 0.2017(3) -0.2870(6) 0.124(5) Uani 0.550(5) 1 d . U P B 1
F28 F -0.0883(6) 0.1935(3) -0.3174(5) 0.124(4) Uani 0.550(5) 1 d . U P B 1
F29 F -0.0872(5) 0.1665(2) -0.2415(4) 0.099(4) Uani 0.550(5) 1 d . U P B 1
F30 F 0.0037(7) 0.2111(3) -0.3403(5) 0.133(5) Uani 0.550(5) 1 d . U P B 1
Co4 Co -0.24120(5) 0.55688(2) 0.30642(4) 0.0400(3) Uani 1 1 d . . . . .
Co5 Co 0.04046(5) 0.55743(2) 0.19839(4) 0.0510(4) Uani 1 1 d . . . . .
F31 F -0.2058(2) 0.46363(8) 0.33391(15) 0.0615(13) Uani 1 1 d . . . . .
F32 F -0.1773(2) 0.42492(7) 0.38482(15) 0.0614(13) Uani 1 1 d . . . . .
F33 F -0.1537(2) 0.42783(8) 0.47856(15) 0.0601(13) Uani 1 1 d . . . . .
F34 F -0.1586(2) 0.47000(8) 0.52193(14) 0.0597(13) Uani 1 1 d . . . . .
F35 F -0.18610(19) 0.50907(8) 0.47200(15) 0.0573(12) Uani 1 1 d . . . . .
F36 F -0.2779(3) 0.65085(10) 0.2810(2) 0.115(2) Uani 1 1 d . . . . .
F37 F -0.2973(4) 0.68919(13) 0.2255(3) 0.167(4) Uani 1 1 d . . . . .
F38 F -0.3404(4) 0.68433(16) 0.1344(3) 0.158(4) Uani 1 1 d . . . . .
F39 F -0.3646(3) 0.64145(19) 0.1004(3) 0.163(4) Uani 1 1 d . . . . .
F40 F -0.3425(3) 0.60298(15) 0.1535(2) 0.119(3) Uani 1 1 d . . . . .
F41 F 0.1810(2) 0.55130(10) 0.36846(18) 0.0730(15) Uani 1 1 d . . . . .
F42 F 0.2263(2) 0.57195(13) 0.44805(19) 0.099(2) Uani 1 1 d . . . . .
F43 F 0.2181(2) 0.61908(14) 0.4589(2) 0.116(3) Uani 1 1 d . . . . .
F44 F 0.1627(3) 0.64519(13) 0.3918(3) 0.157(4) Uani 1 1 d . . . . .
F45 F 0.1127(3) 0.62478(10) 0.3141(3) 0.134(3) Uani 1 1 d . . . . .
F46 F -0.0745(4) 0.49251(17) 0.0785(3) 0.080(3) Uani 0.566(6) 1 d . U P C 5
F47 F -0.1395(4) 0.48105(19) 0.0006(4) 0.092(3) Uani 0.566(6) 1 d . U P C 5
F48 F -0.1470(6) 0.5095(2) -0.0756(4) 0.124(4) Uani 0.566(6) 1 d . U P C 5
F49 F -0.0898(7) 0.5496(3) -0.0722(6) 0.132(5) Uani 0.566(6) 1 d . U P C 5
F55 F -0.0299(5) 0.5640(2) 0.0087(4) 0.097(4) Uani 0.566(6) 1 d . U P C 5
C92B C -0.0220(8) 0.5374(3) 0.0924(6) 0.062(4) Uani 0.566(6) 1 d . U P C 5
C205 C -0.0790(5) 0.50723(19) 0.0438(3) 0.072(4) Uani 0.566(6) 1 d G U P C 5
C204 C -0.0498(5) 0.5282(2) 0.0461(3) 0.068(3) Uani 0.566(6) 1 d G U P C 5
C208 C -0.0524(5) 0.54264(19) 0.0070(4) 0.081(4) Uani 0.566(6) 1 d G U P C 5
C209 C -0.0842(6) 0.5361(2) -0.0343(3) 0.089(4) Uani 0.566(6) 1 d G U P C 5
C207 C -0.1134(5) 0.5152(2) -0.0366(3) 0.092(4) Uani 0.566(6) 1 d G U P C 5
C206 C -0.1108(5) 0.50074(19) 0.0025(4) 0.082(4) Uani 0.566(6) 1 d G U P C 5
C92A C -0.0082(11) 0.5486(4) 0.0902(8) 0.058(5) Uani 0.434(6) 1 d . U P C 6
C210 C -0.0358(7) 0.5492(3) 0.0380(4) 0.063(4) Uani 0.434(6) 1 d G U P C 6
C211 C -0.0589(7) 0.5702(2) 0.0200(5) 0.074(4) Uani 0.434(6) 1 d G U P C 6
C212 C -0.0784(8) 0.5719(3) -0.0273(6) 0.082(4) Uani 0.434(6) 1 d G U P C 6
C213 C -0.0749(8) 0.5527(3) -0.0565(4) 0.084(5) Uani 0.434(6) 1 d G U P C 6
C214 C -0.0518(8) 0.5317(3) -0.0385(5) 0.079(4) Uani 0.434(6) 1 d G U P C 6
C215 C -0.0323(7) 0.5300(2) 0.0088(5) 0.070(4) Uani 0.434(6) 1 d G U P C 6
F50 F -0.0116(6) 0.5105(2) 0.0251(5) 0.087(4) Uani 0.434(6) 1 d . U P C 6
F51 F -0.0469(7) 0.5146(3) -0.0683(5) 0.108(5) Uani 0.434(6) 1 d . U P C 6
F52 F -0.1017(7) 0.5917(3) -0.0441(5) 0.115(5) Uani 0.434(6) 1 d . U P C 6
F53 F -0.0637(7) 0.5886(2) 0.0468(5) 0.112(5) Uani 0.434(6) 1 d . U P C 6
F54 F -0.0920(6) 0.5549(3) -0.1027(5) 0.092(4) Uani 0.434(6) 1 d . U P C 6
C217 C -0.0823(4) 0.18557(16) 0.0727(4) 0.081(3) Uani 1 1 d . . . . .
H94 H -0.1203 0.1838 0.0719 0.097 Uiso 1 1 calc R U . . .
C216 C -0.0511(4) 0.17628(17) 0.0416(5) 0.084(3) Uani 1 1 d . . . . .
H95 H -0.0637 0.1666 0.0156 0.101 Uiso 1 1 calc R U . . .
F56 F 0.6422(6) 0.2286(2) 0.1209(4) 0.082(4) Uani 0.450(5) 1 d . U P B 2
F57 F 0.6987(6) 0.2142(2) 0.2790(5) 0.088(4) Uani 0.450(5) 1 d . U P B 2
F58 F 0.6687(6) 0.1979(2) 0.1910(5) 0.095(4) Uani 0.450(5) 1 d . U P B 2
F59 F 0.6720(7) 0.2907(3) 0.2266(6) 0.082(5) Uani 0.450(5) 1 d . U P B 2
F65 F 0.7014(7) 0.2603(3) 0.2974(5) 0.097(5) Uani 0.450(5) 1 d . U P B 2
C218 C 0.6580(7) 0.2611(2) 0.1719(5) 0.065(4) Uani 0.450(5) 1 d G U P B 2
C219 C 0.6732(9) 0.2693(2) 0.2172(6) 0.071(4) Uani 0.450(5) 1 d G U P B 2
C220 C 0.6861(9) 0.2533(3) 0.2535(4) 0.078(5) Uani 0.450(5) 1 d G U P B 2
C221 C 0.6839(7) 0.2292(3) 0.2445(5) 0.076(4) Uani 0.450(5) 1 d G U P B 2
C222 C 0.6687(7) 0.2211(2) 0.1992(6) 0.077(4) Uani 0.450(5) 1 d G U P B 2
C223 C 0.6558(7) 0.2371(3) 0.1629(4) 0.074(4) Uani 0.450(5) 1 d G U P B 2
F60 F 0.7008(7) 0.2499(3) 0.2730(6) 0.107(5) Uani 0.550(5) 1 d . U P B 1
F61 F 0.6569(7) 0.2078(2) 0.2542(5) 0.120(4) Uani 0.550(5) 1 d . U P B 1
F62 F 0.6913(6) 0.2857(3) 0.2095(5) 0.093(4) Uani 0.550(5) 1 d . U P B 1
F63 F 0.6017(7) 0.1990(2) 0.1673(5) 0.118(4) Uani 0.550(5) 1 d . U P B 1
F64 F 0.5871(6) 0.2335(2) 0.1037(5) 0.108(4) Uani 0.550(5) 1 d . U P B 1
C224 C 0.6370(6) 0.2606(2) 0.1557(5) 0.076(4) Uani 0.550(5) 1 d G U P B 1
C225 C 0.6665(6) 0.2645(2) 0.1994(5) 0.079(4) Uani 0.550(5) 1 d G U P B 1
C226 C 0.6727(6) 0.2466(3) 0.2324(4) 0.085(4) Uani 0.550(5) 1 d G U P B 1
C227 C 0.6493(6) 0.2246(2) 0.2217(5) 0.089(4) Uani 0.550(5) 1 d G U P B 1
C228 C 0.6198(6) 0.2207(2) 0.1780(5) 0.089(4) Uani 0.550(5) 1 d G U P B 1
C229 C 0.6137(6) 0.2386(3) 0.1450(4) 0.084(4) Uani 0.550(5) 1 d G U P B 1
C232 C -0.1699(10) 0.1411(3) -0.2630(6) 0.227(7) Uani 1 1 d D U . . .
H96 H -0.1326 0.1443 -0.2477 0.272 Uiso 1 1 calc R U . . .
H97 H -0.1950 0.1519 -0.2496 0.272 Uiso 1 1 calc R U . . .
C231 C -0.1850(9) 0.1157(3) -0.2547(6) 0.205(7) Uani 1 1 d D U . . .
H98 H -0.1576 0.1049 -0.2648 0.246 Uiso 1 1 calc R U . . .
H99 H -0.2208 0.1119 -0.2726 0.246 Uiso 1 1 calc R U . . .
C230 C -0.1870(9) 0.1131(4) -0.2006(6) 0.238(10) Uani 1 1 d D U . . .
H100 H -0.1967 0.0969 -0.1936 0.357 Uiso 1 1 calc R U . . .
H101 H -0.1514 0.1169 -0.1835 0.357 Uiso 1 1 calc R U . . .
H102 H -0.2142 0.1240 -0.1912 0.357 Uiso 1 1 calc R U . . .
C233 C -0.1734(12) 0.1453(5) -0.3159(7) 0.268(8) Uani 1 1 d D U . . .
H103 H -0.2106 0.1500 -0.3292 0.322 Uiso 1 1 calc R U . . .
H104 H -0.1635 0.1308 -0.3318 0.322 Uiso 1 1 calc R U . . .
C234 C -0.1315(12) 0.1659(5) -0.3220(9) 0.292(10) Uani 1 1 d D U . . .
H132 H -0.1320 0.1693 -0.3553 0.437 Uiso 1 1 calc R U . B 1
H133 H -0.1418 0.1801 -0.3059 0.437 Uiso 1 1 calc R U . B 1
H134 H -0.0950 0.1610 -0.3085 0.437 Uiso 1 1 calc R U . B 1
C235 C -0.1094(17) 0.4632(7) 0.2321(14) 0.414(16) Uani 1 1 d D U . D 2
H120 H -0.1022 0.4669 0.2655 0.621 Uiso 1 1 calc R U . D 2
H121 H -0.1223 0.4469 0.2281 0.621 Uiso 1 1 calc R U . D 2
H122 H -0.0759 0.4650 0.2182 0.621 Uiso 1 1 calc R U . D 2
C236 C -0.151(2) 0.4795(8) 0.2089(13) 0.451(15) Uani 1 1 d D U . D 2
H123 H -0.1392 0.4961 0.2111 0.542 Uiso 1 1 calc R U . D 2
H124 H -0.1863 0.4778 0.2211 0.542 Uiso 1 1 calc R U . D 2
C237 C -0.1533(19) 0.4696(7) 0.1593(12) 0.469(15) Uani 1 1 d D U . D 2
H125 H -0.1647 0.4528 0.1571 0.563 Uiso 1 1 calc R U . D 2
H126 H -0.1186 0.4716 0.1466 0.563 Uiso 1 1 calc R U . D 2
C239 C -0.189(2) 0.4820(9) 0.0857(17) 0.507(18) Uani 1 1 d D U . D 2
H157 H -0.2145 0.4915 0.0647 0.760 Uiso 1 1 calc R U . D 2
H158 H -0.1518 0.4863 0.0817 0.760 Uiso 1 1 calc R U . D 2
H159 H -0.1949 0.4652 0.0783 0.760 Uiso 1 1 calc R U . D 2
C238 C -0.1979(17) 0.4865(9) 0.1368(16) 0.484(15) Uani 1 1 d D U . D 2
H130 H -0.2346 0.4818 0.1429 0.581 Uiso 1 1 calc R U . D 2
H131 H -0.1908 0.5031 0.1464 0.581 Uiso 1 1 calc R U . D 2
C251 C -0.3470(17) 0.6935(6) -0.1839(13) 0.423(13) Uani 1 1 d D U . . .
H135 H -0.3572 0.7098 -0.1767 0.508 Uiso 1 1 calc R U . . .
H136 H -0.3232 0.6939 -0.2086 0.508 Uiso 1 1 calc R U . . .
C250 C -0.3974(14) 0.6786(7) -0.1993(12) 0.406(15) Uani 1 1 d D U . . .
H137 H -0.4177 0.6855 -0.2274 0.609 Uiso 1 1 calc R U . . .
H138 H -0.3864 0.6625 -0.2060 0.609 Uiso 1 1 calc R U . . .
H139 H -0.4203 0.6783 -0.1742 0.609 Uiso 1 1 calc R U . . .
C252 C -0.3187(17) 0.6812(6) -0.1401(14) 0.442(13) Uani 1 1 d D U . . .
H140 H -0.2992 0.6670 -0.1488 0.531 Uiso 1 1 calc R U . . .
H141 H -0.3457 0.6762 -0.1198 0.531 Uiso 1 1 calc R U . . .
C253 C -0.2781(18) 0.6991(7) -0.1139(15) 0.461(14) Uani 1 1 d D U . . .
H142 H -0.2959 0.7144 -0.1097 0.553 Uiso 1 1 calc R U . . .
H143 H -0.2467 0.7017 -0.1309 0.553 Uiso 1 1 calc R U . . .
C254 C -0.2597(18) 0.6863(8) -0.0641(13) 0.497(16) Uani 1 1 d D U . . .
H144 H -0.2337 0.6964 -0.0447 0.746 Uiso 1 1 calc R U . . .
H145 H -0.2916 0.6837 -0.0483 0.746 Uiso 1 1 calc R U . . .
H146 H -0.2428 0.6711 -0.0693 0.746 Uiso 1 1 calc R U . . .
C247 C -0.256(2) 0.5716(11) -0.081(2) 0.307(18) Uani 0.5 1 d D U P E -1
C245 C -0.336(3) 0.6034(11) -0.063(2) 0.32(2) Uani 0.5 1 d D U P E -1
C246 C -0.287(2) 0.5929(9) -0.076(2) 0.308(18) Uani 0.5 1 d D U P E -1
C248 C -0.245(3) 0.5477(10) -0.063(2) 0.305(18) Uani 0.5 1 d D U P E -1
C249 C -0.255(3) 0.5313(11) -0.026(2) 0.33(2) Uani 0.5 1 d D U P E -1
F66 F -0.2568(7) 0.1684(4) 0.1826(7) 0.124(5) Uani 0.450(5) 1 d . U P B 2
F67 F -0.2564(6) 0.2043(3) 0.1179(6) 0.103(5) Uani 0.450(5) 1 d . U P B 2
F68 F -0.1619(6) 0.2240(3) 0.1005(5) 0.068(4) Uani 0.450(5) 1 d . U P B 2
F69 F -0.1699(10) 0.1545(3) 0.2252(8) 0.097(6) Uani 0.450(5) 1 d . U P B 2
C255 C -0.1127(6) 0.1985(4) 0.1552(8) 0.076(5) Uani 0.450(5) 1 d G U P B 2
C256 C -0.1613(8) 0.2072(3) 0.1322(6) 0.077(5) Uani 0.450(5) 1 d G U P B 2
C257 C -0.2103(6) 0.1979(3) 0.1417(6) 0.087(5) Uani 0.450(5) 1 d G U P B 2
C258 C -0.2107(6) 0.1798(3) 0.1742(7) 0.089(5) Uani 0.450(5) 1 d G U P B 2
C259 C -0.1621(8) 0.1711(3) 0.1973(6) 0.088(5) Uani 0.450(5) 1 d G U P B 2
C260 C -0.1131(6) 0.1805(4) 0.1878(7) 0.085(5) Uani 0.450(5) 1 d DG U P B 2
F70 F -0.0703(12) 0.1751(6) 0.2209(9) 0.105(8) Uani 0.450(5) 1 d D U P B 2
C264 C 0.5412(8) 0.2809(4) 0.1493(7) 0.050(5) Uani 0.5 1 d . U P A 4
H151 H 0.5413 0.2704 0.1749 0.060 Uiso 0.5 1 calc R U P A 4
C265 C 0.4958(11) 0.2937(4) 0.1274(8) 0.054(5) Uani 0.5 1 d . U P A 4
H152 H 0.4602 0.2937 0.1356 0.065 Uiso 0.5 1 calc R U P A 4
C266 C 0.5145(10) 0.3064(4) 0.0908(8) 0.045(5) Uani 0.5 1 d . U P A 4
C263 C 0.4618(11) 0.3574(4) -0.0095(9) 0.060(6) Uani 0.5 1 d . U P A 3
H153 H 0.4398 0.3688 -0.0273 0.072 Uiso 0.5 1 calc R U P A 3
C262 C 0.4452(11) 0.3420(4) 0.0221(9) 0.049(6) Uani 0.5 1 d . U P A 3
H154 H 0.4093 0.3405 0.0296 0.059 Uiso 0.5 1 calc R U P A 3
C261 C 0.4911(13) 0.3286(4) 0.0421(8) 0.046(6) Uani 0.5 1 d . U P A 3
C267 C 0.5176(12) 0.3534(4) -0.0111(9) 0.050(6) Uani 0.5 1 d . U P A 3
C268 C 0.5868(11) 0.2865(4) 0.1260(7) 0.048(5) Uani 0.5 1 d . U P A 4
N32 N 0.5335(12) 0.3364(4) 0.0215(10) 0.045(5) Uani 0.5 1 d . U P A 3
N33 N 0.5686(12) 0.3027(6) 0.0906(9) 0.047(5) Uani 0.5 1 d . U P A 4
C76 C 0.2590(2) 0.22539(14) 0.1159(3) 0.078(3) Uani 1 1 d G . . . .
C77 C 0.3008(3) 0.21941(14) 0.1509(2) 0.087(3) Uani 1 1 d G . . . .
C78 C 0.3535(3) 0.22671(15) 0.1478(3) 0.088(3) Uani 1 1 d G . . . .
C79 C 0.3644(2) 0.23998(15) 0.1097(3) 0.091(4) Uani 1 1 d G . . . .
C80 C 0.3226(3) 0.24595(15) 0.0747(3) 0.106(4) Uani 1 1 d G . . . .
C81 C 0.2699(3) 0.23866(15) 0.0779(3) 0.101(4) Uani 1 1 d G . . . .
F6 F 0.2314(3) 0.24596(18) 0.0459(3) 0.161(4) Uani 1 1 d . . . . .
F7 F 0.3340(3) 0.25849(19) 0.0388(4) 0.178(4) Uani 1 1 d . . . . .
F8 F 0.4152(3) 0.24669(13) 0.1066(3) 0.122(3) Uani 1 1 d . . . . .
F9 F 0.3940(2) 0.22198(13) 0.1813(2) 0.111(2) Uani 1 1 d . . . . .
F10 F 0.2930(3) 0.20646(15) 0.1860(3) 0.126(3) Uani 1 1 d . . . . .
C280 C -0.148(3) 0.4144(12) 0.155(2) 0.34(2) Uani 0.5 1 d D U P F -1
C282 C -0.233(3) 0.4157(13) 0.0701(19) 0.330(18) Uani 0.5 1 d D U P F -1
C283 C -0.265(3) 0.4147(11) 0.021(2) 0.327(18) Uani 0.5 1 d D U P F -1
C284 C -0.284(3) 0.4221(13) -0.030(2) 0.32(2) Uani 0.5 1 d D U P F -1
C281 C -0.186(3) 0.4193(11) 0.110(2) 0.336(18) Uani 0.5 1 d D U P F -1
Cl1 Cl 0.7206(10) 0.2287(5) 0.0121(9) 0.392(12) Uani 0.5 1 d D U P G -1
C285 C 0.755(4) 0.2025(12) 0.0359(18) 0.408(14) Uani 0.5 1 d D U P G -1
H155 H 0.7807 0.2060 0.0645 0.489 Uiso 0.5 1 calc R U P G -1
H156 H 0.7296 0.1900 0.0425 0.489 Uiso 0.5 1 calc R U P G -1
Cl2 Cl 0.7896(11) 0.1951(5) -0.0117(13) 0.422(13) Uani 0.5 1 d D U P G -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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_3
C88 N1 C91 111.1(9) .
C88 N1 Co5 116.9(7) .
C91 N1 Co5 131.8(7) .
C103 N2 C106 110.2(8) .
C103 N2 Co5 132.9(6) .
C106 N2 Co5 116.9(7) .
C98 N3 C101 107.5(6) .
C98 N3 Co5 125.4(5) .
C101 N3 Co5 126.8(5) .
C140 N4 C136 116.5(8) .
C140 N4 Co5 121.6(6) .
C136 N4 Co5 121.9(6) .
C141 N5 C145 117.1(9) .
C141 N5 Co5 121.4(6) .
C145 N5 Co5 121.5(8) .
C107 N6 C110 109.7(6) .
C107 N6 Co4 117.1(5) .
C110 N6 Co4 133.0(5) .
C125 N7 C122 109.7(7) .
C125 N7 Co4 117.1(5) .
C122 N7 Co4 132.9(6) .
C117 N8 C120 108.2(6) .
C117 N8 Co4 125.7(5) .
C120 N8 Co4 126.1(5) .
C115 N9 C112 107.3(6) .
C115 N9 Co4 126.0(5) .
C112 N9 Co4 126.7(5) .
C135 N10 C131 116.5(7) .
C135 N10 Co4 122.5(5) .
C131 N10 Co4 121.0(5) .
C130 N11 C126 117.1(7) .
C130 N11 Co4 121.4(6) .
C126 N11 Co4 121.5(5) .
C19 N12 C16 109.4(7) .
C19 N12 Co2 117.7(5) .
C16 N12 Co2 132.8(5) .
C4 N13 C1 110.2(9) .
C4 N13 Co2 133.0(8) .
C1 N13 Co2 116.8(6) .
C9 N14 C6 108.7(9) .
C9 N14 Co2 124.7(6) .
C6 N14 Co2 126.4(8) .
C11 N15 C14 108.5(6) .
C11 N15 Co2 124.0(5) .
C14 N15 Co2 127.4(5) .
C42 N16 C38 116.9(8) .
C42 N16 Co2 122.2(6) .
C38 N16 Co2 120.8(6) .
C43 N17 C47 116.1(8) .
C43 N17 Co2 120.8(7) .
C47 N17 Co2 122.8(6) .
C37 N18 C34 110.2(8) .
C37 N18 Co3 115.7(7) .
C34 N18 Co3 133.5(8) .
C23 N19 C20 111.0(9) .
C23 N19 Co3 131.8(7) .
C20 N19 Co3 116.3(7) .
C28 N20 C25 109.0(8) .
C28 N20 Co3 125.0(7) .
C25 N20 Co3 125.9(7) .
C30 N21 C32 107.9(8) .
C30 N21 Co3 124.1(7) .
C32 N21 Co3 127.7(7) .
C70 N22 C66 116.3(9) .
C70 N22 Co3 120.7(8) .
C66 N22 Co3 123.0(7) .
C71 N23 C75 116.5(7) .
C71 N23 Co3 123.1(6) .
C75 N23 Co3 120.2(5) .
C167 N24 C164 112(3) .
C167 N24 Co1 127(2) .
C164 N24 Co1 121(2) .
C179 N25 C182 108(3) .
C179 N25 Co1 127(2) .
C182 N25 Co1 124(2) .
C177 N26 C174 106.8(8) .
C177 N26 Co1 127.0(7) .
C174 N26 Co1 126.1(7) .
C172 N27 C169 107.9(8) .
C172 N27 Co1 125.2(6) .
C169 N27 Co1 126.9(6) .
C183 N28 C187 117.9(8) .
C183 N28 Co1 120.4(7) .
C187 N28 Co1 121.6(7) .
N13 C1 C19 112.7(8) .
N13 C1 C2 107.3(9) .
C19 C1 C2 140.0(11) .
C3 C2 C1 106.9(10) .
C3 C2 H1 126.5 .
C1 C2 H1 126.5 .
C2 C3 C4 108.4(9) .
C2 C3 H2 125.8 .
C4 C3 H2 125.8 .
N13 C4 C5 120.5(11) .
N13 C4 C3 107.1(10) .
C5 C4 C3 132.3(10) .
C4 C5 C6 123.3(9) .
C4 C5 C61 129.7(12) .
C6 C5 C61 106.9(12) .
C4 C5 C54 104.8(13) .
C6 C5 C54 131.8(13) .
N14 C6 C5 125.4(10) .
N14 C6 C7 106.6(12) .
C5 C6 C7 128.0(11) .
C8 C7 C6 109.0(10) .
C8 C7 H3 125.5 .
C6 C7 H3 125.5 .
C7 C8 C9 107.8(12) .
C7 C8 H4 126.1 .
C9 C8 H4 126.1 .
N14 C9 C10 124.9(8) .
N14 C9 C8 107.9(11) .
C10 C9 C8 127.1(12) .
C9 C10 C11 124.2(9) .
C9 C10 C29 120.0(8) .
C11 C10 C29 115.6(9) .
N15 C11 C10 125.6(8) .
N15 C11 C12 107.8(7) .
C10 C11 C12 126.6(8) .
C13 C12 C11 108.0(7) .
C13 C12 H5 126.0 .
C11 C12 H5 126.0 .
C12 C13 C14 107.8(7) .
C12 C13 H6 126.1 .
C14 C13 H6 126.1 .
N15 C14 C15 125.2(7) .
N15 C14 C13 107.9(6) .
C15 C14 C13 126.9(7) .
C14 C15 C16 122.4(7) .
C14 C15 C48 118.7(7) .
C16 C15 C48 118.8(6) .
N12 C16 C15 121.2(7) .
N12 C16 C17 106.8(7) .
C15 C16 C17 132.0(7) .
C18 C17 C16 108.1(8) .
C18 C17 H7 125.9 .
C16 C17 H7 125.9 .
C17 C18 C19 107.1(8) .
C17 C18 H8 126.5 .
C19 C18 H8 126.5 .
N12 C19 C18 108.5(7) .
N12 C19 C1 111.3(8) .
C18 C19 C1 140.1(9) .
N19 C20 C37 112.2(10) .
N19 C20 C21 106.0(10) .
C37 C20 C21 141.4(12) .
C22 C21 C20 108.5(11) .
C22 C21 H9 125.8 .
C20 C21 H9 125.8 .
C21 C22 C23 107.4(10) .
C21 C22 H10 126.3 .
C23 C22 H10 126.3 .
N19 C23 C24 121.9(10) .
N19 C23 C22 107.2(9) .
C24 C23 C22 131.0(10) .
C23 C24 C25 122.0(9) .
C23 C24 C76 119.0(9) .
C25 C24 C76 119.1(9) .
N20 C25 C24 125.7(9) .
N20 C25 C26 107.1(9) .
C24 C25 C26 127.1(10) .
C27 C26 C25 108.2(10) .
C27 C26 H11 125.9 .
C25 C26 H11 125.9 .
C26 C27 C28 107.6(10) .
C26 C27 H12 126.2 .
C28 C27 H12 126.2 .
N20 C28 C29 124.3(9) .
N20 C28 C27 108.0(10) .
C29 C28 C27 127.7(11) .
C30 C29 C28 124.6(10) .
C30 C29 C10 116.3(9) .
C28 C29 C10 119.1(9) .
N21 C30 C29 124.8(10) .
N21 C30 C216 108.4(9) .
C29 C30 C216 126.7(10) .
N21 C32 C33 125.4(10) .
N21 C32 C217 108.5(9) .
C33 C32 C217 125.9(10) .
C34 C33 C32 122.2(9) .
C34 C33 C255 127.8(12) .
C32 C33 C255 106.8(12) .
C34 C33 C82 114.2(10) .
C32 C33 C82 123.0(10) .
N18 C34 C33 121.0(9) .
N18 C34 C35 107.1(10) .
C33 C34 C35 131.9(10) .
C36 C35 C34 107.9(10) .
C36 C35 H13 126.0 .
C34 C35 H13 126.0 .
C35 C36 C37 107.5(11) .
C35 C36 H14 126.3 .
C37 C36 H14 126.3 .
N18 C37 C20 113.2(9) .
N18 C37 C36 107.3(10) .
C20 C37 C36 139.5(12) .
N16 C38 C39 123.0(8) .
N16 C38 H15 118.5 .
C39 C38 H15 118.5 .
C40 C39 C38 119.4(9) .
C40 C39 H16 120.3 .
C38 C39 H16 120.3 .
C39 C40 C41 118.0(9) .
C39 C40 H17 121.0 .
C41 C40 H17 121.0 .
C40 C41 C42 120.0(9) .
C40 C41 H18 120.0 .
C42 C41 H18 120.0 .
N16 C42 C41 122.6(9) .
N16 C42 H19 118.7 .
C41 C42 H19 118.7 .
N17 C43 C44 121.0(11) .
N17 C43 H20 119.5 .
C44 C43 H20 119.5 .
C45 C44 C43 121.1(12) .
C45 C44 H21 119.4 .
C43 C44 H21 119.4 .
C46 C45 C44 117.3(11) .
C46 C45 H22 121.4 .
C44 C45 H22 121.4 .
C45 C46 C47 119.7(10) .
C45 C46 H23 120.1 .
C47 C46 H23 120.1 .
N17 C47 C46 124.4(9) .
N17 C47 H24 117.8 .
C46 C47 H24 117.8 .
C49 C48 C53 115.3(7) .
C49 C48 C15 120.8(7) .
C53 C48 C15 123.9(7) .
C50 C49 F20 117.1(7) .
C50 C49 C48 123.6(7) .
F20 C49 C48 119.3(6) .
F19 C50 C49 119.9(7) .
F19 C50 C51 120.5(7) .
C49 C50 C51 119.5(7) .
F18 C51 C52 119.9(7) .
F18 C51 C50 120.8(7) .
C52 C51 C50 119.3(7) .
F17 C52 C51 119.6(7) .
F17 C52 C53 120.5(7) .
C51 C52 C53 119.9(7) .
F16 C53 C52 117.1(7) .
F16 C53 C48 120.4(6) .
C52 C53 C48 122.4(7) .
C59 C54 C55 114(2) .
C59 C54 C5 127(2) .
C55 C54 C5 118(2) .
C54 C55 C56 124(2) .
C54 C55 F26 122(2) .
C56 C55 F26 113(2) .
C57 C56 C55 119(3) .
C57 C56 F27 118(3) .
C55 C56 F27 123(2) .
C56 C57 F30 124(2) .
C56 C57 C58 120(2) .
F30 C57 C58 115(2) .
F28 C58 C57 122(2) .
F28 C58 C59 123(2) .
C57 C58 C59 116(2) .
C54 C59 F29 121.3(19) .
C54 C59 C58 127(2) .
F29 C59 C58 112(2) .
F21 C60 C61 122.8(10) .
F21 C60 C65 117.2(10) .
C61 C60 C65 120.0 .
C60 C61 C62 120.0 .
C60 C61 C5 120.9(10) .
C62 C61 C5 117.4(10) .
F24 C62 C63 119.5(11) .
F24 C62 C61 120.5(11) .
C63 C62 C61 120.0 .
F25 C63 C62 120.0(11) .
F25 C63 C64 120.0(11) .
C62 C63 C64 120.0 .
F23 C64 C65 121.9(11) .
F23 C64 C63 118.1(11) .
C65 C64 C63 120.0 .
F22 C65 C64 120.3(10) .
F22 C65 C60 119.7(10) .
C64 C65 C60 120.0 .
C67 C66 N22 123.5(12) .
C67 C66 H25 118.2 .
N22 C66 H25 118.2 .
C66 C67 C68 119.5(13) .
C66 C67 H26 120.2 .
C68 C67 H26 120.2 .
C67 C68 C69 119.4(12) .
C67 C68 H27 120.3 .
C69 C68 H27 120.3 .
C68 C69 C70 118.1(12) .
C68 C69 H28 121.0 .
C70 C69 H28 121.0 .
N22 C70 C69 123.2(12) .
N22 C70 H29 118.4 .
C69 C70 H29 118.4 .
N23 C71 C72 124.1(9) .
N23 C71 H30 117.9 .
C72 C71 H30 117.9 .
C71 C72 C73 118.5(8) .
C71 C72 H31 120.7 .
C73 C72 H31 120.7 .
C74 C73 C72 118.5(8) .
C74 C73 H32 120.7 .
C72 C73 H32 120.7 .
C75 C74 C73 119.3(8) .
C75 C74 H33 120.4 .
C73 C74 H33 120.4 .
N23 C75 C74 123.0(8) .
N23 C75 H34 118.5 .
C74 C75 H34 118.5 .
C83 C82 C87 120.0 .
C83 C82 C33 117.1(9) .
C87 C82 C33 122.3(9) .
F11 C83 C84 120.7(13) .
F11 C83 C82 118.5(13) .
C84 C83 C82 120.0 .
F12 C84 C83 117.9(12) .
F12 C84 C85 121.9(12) .
C83 C84 C85 120.0 .
F13 C85 C86 120.3(10) .
F13 C85 C84 119.6(10) .
C86 C85 C84 120.0 .
F14 C86 C85 117.8(10) .
F14 C86 C87 122.2(10) .
C85 C86 C87 120.0 .
F15 C87 C86 119.6(12) .
F15 C87 C82 120.2(12) .
C86 C87 C82 120.0 .
N1 C88 C106 112.9(8) .
N1 C88 C89 107.7(11) .
C106 C88 C89 139.3(12) .
C90 C89 C88 107.7(12) .
C90 C89 H35 126.1 .
C88 C89 H35 126.1 .
C89 C90 C91 107.8(12) .
C89 C90 H36 126.1 .
C91 C90 H36 126.1 .
C92A C91 N1 118.9(14) .
C92A C91 C90 131.8(16) .
N1 C91 C90 105.6(12) .
N1 C91 C92B 119.9(10) .
C90 C91 C92B 133.4(14) .
C92B C93 N31 130.5(12) .
C92B C93 C94 119.6(12) .
N31 C93 C94 108.6(9) .
N31 C93 C92A 115.6(13) .
C94 C93 C92A 133.9(13) .
C95 C94 C93 108.3(9) .
C95 C94 H37 125.8 .
C93 C94 H37 125.8 .
C94 C95 C96 107.3(9) .
C94 C95 H38 126.4 .
C96 C95 H38 126.4 .
N31 C96 C97 124.8(8) .
N31 C96 C95 108.4(7) .
C97 C96 C95 126.7(8) .
C96 C97 C98 124.5(7) .
C96 C97 C116 117.9(7) .
C98 C97 C116 117.6(6) .
N3 C98 C97 124.0(7) .
N3 C98 C99 109.4(7) .
C97 C98 C99 126.5(7) .
C100 C99 C98 106.6(7) .
C100 C99 H39 126.7 .
C98 C99 H39 126.7 .
C99 C100 C101 108.2(7) .
C99 C100 H40 125.9 .
C101 C100 H40 125.9 .
N3 C101 C102 125.2(7) .
N3 C101 C100 108.2(7) .
C102 C101 C100 126.5(8) .
C101 C102 C103 123.5(8) .
C101 C102 C146 117.7(7) .
C103 C102 C146 118.7(7) .
N2 C103 C102 119.7(8) .
N2 C103 C104 107.3(9) .
C102 C103 C104 133.0(10) .
C105 C104 C103 106.5(9) .
C105 C104 H41 126.8 .
C103 C104 H41 126.8 .
C104 C105 C106 109.0(9) .
C104 C105 H42 125.5 .
C106 C105 H42 125.5 .
N2 C106 C88 112.0(9) .
N2 C106 C105 107.1(9) .
C88 C106 C105 140.8(10) .
N6 C107 C125 112.1(7) .
N6 C107 C108 108.2(7) .
C125 C107 C108 139.8(8) .
C109 C108 C107 107.5(7) .
C109 C108 H43 126.3 .
C107 C108 H43 126.3 .
C108 C109 C110 107.2(7) .
C108 C109 H44 126.4 .
C110 C109 H44 126.4 .
N6 C110 C111 119.7(7) .
N6 C110 C109 107.4(7) .
C111 C110 C109 132.9(7) .
C112 C111 C110 124.0(7) .
C112 C111 C152 117.6(7) .
C110 C111 C152 118.4(6) .
N9 C112 C111 125.1(7) .
N9 C112 C113 107.8(6) .
C111 C112 C113 127.1(7) .
C114 C113 C112 108.0(7) .
C114 C113 H45 126.0 .
C112 C113 H45 126.0 .
C113 C114 C115 107.9(7) .
C113 C114 H46 126.1 .
C115 C114 H46 126.1 .
N9 C115 C116 123.4(7) .
N9 C115 C114 109.0(6) .
C116 C115 C114 127.6(7) .
C117 C116 C115 125.1(7) .
C117 C116 C97 117.2(7) .
C115 C116 C97 117.7(6) .
N8 C117 C116 124.4(7) .
N8 C117 C118 108.8(6) .
C116 C117 C118 126.8(7) .
C119 C118 C117 107.3(8) .
C119 C118 H47 126.4 .
C117 C118 H47 126.4 .
C118 C119 C120 108.3(7) .
C118 C119 H48 125.9 .
C120 C119 H48 125.9 .
N8 C120 C121 125.9(8) .
N8 C120 C119 107.5(7) .
C121 C120 C119 126.6(8) .
C122 C121 C120 123.8(7) .
C122 C121 C158 120.2(7) .
C120 C121 C158 115.9(7) .
N7 C122 C121 119.7(7) .
N7 C122 C123 105.9(8) .
C121 C122 C123 134.3(8) .
C124 C123 C122 108.2(8) .
C124 C123 H49 125.9 .
C122 C123 H49 125.9 .
C123 C124 C125 107.3(8) .
C123 C124 H50 126.3 .
C125 C124 H50 126.3 .
N7 C125 C124 108.8(7) .
N7 C125 C107 111.8(7) .
C124 C125 C107 139.4(8) .
N11 C126 C127 123.9(8) .
N11 C126 H51 118.1 .
C127 C126 H51 118.1 .
C126 C127 C128 117.8(9) .
C126 C127 H52 121.1 .
C128 C127 H52 121.1 .
C129 C128 C127 119.1(9) .
C129 C128 H53 120.5 .
C127 C128 H53 120.5 .
C128 C129 C130 119.4(9) .
C128 C129 H54 120.3 .
C130 C129 H54 120.3 .
N11 C130 C129 122.7(9) .
N11 C130 H55 118.6 .
C129 C130 H55 118.6 .
N10 C131 C132 122.1(8) .
N10 C131 H56 119.0 .
C132 C131 H56 119.0 .
C133 C132 C131 120.7(8) .
C133 C132 H57 119.7 .
C131 C132 H57 119.7 .
C132 C133 C134 118.0(8) .
C132 C133 H58 121.0 .
C134 C133 H58 121.0 .
C133 C134 C135 119.5(8) .
C133 C134 H59 120.3 .
C135 C134 H59 120.3 .
N10 C135 C134 123.2(8) .
N10 C135 H60 118.4 .
C134 C135 H60 118.4 .
N4 C136 C137 122.7(9) .
N4 C136 H61 118.7 .
C137 C136 H61 118.7 .
C138 C137 C136 119.3(10) .
C138 C137 H62 120.4 .
C136 C137 H62 120.4 .
C137 C138 C139 118.6(11) .
C137 C138 H63 120.7 .
C139 C138 H63 120.7 .
C140 C139 C138 119.5(11) .
C140 C139 H64 120.2 .
C138 C139 H64 120.2 .
N4 C140 C139 123.4(10) .
N4 C140 H65 118.3 .
C139 C140 H65 118.3 .
N5 C141 C142 123.6(10) .
N5 C141 H66 118.2 .
C142 C141 H66 118.2 .
C143 C142 C141 117.5(13) .
C143 C142 H67 121.3 .
C141 C142 H67 121.3 .
C144 C143 C142 118.6(11) .
C144 C143 H68 120.7 .
C142 C143 H68 120.7 .
C143 C144 C145 121.9(13) .
C143 C144 H69 119.1 .
C145 C144 H69 119.1 .
N5 C145 C144 121.4(12) .
N5 C145 H70 119.3 .
C144 C145 H70 119.3 .
C147 C146 C151 120.0 .
C147 C146 C102 121.5(5) .
C151 C146 C102 118.3(5) .
F41 C147 C146 121.7(5) .
F41 C147 C148 118.3(5) .
C146 C147 C148 120.0 .
F42 C148 C149 119.0(7) .
F42 C148 C147 121.0(7) .
C149 C148 C147 120.0 .
F43 C149 C148 120.5(7) .
F43 C149 C150 119.5(7) .
C148 C149 C150 120.0 .
F44 C150 C149 118.5(7) .
F44 C150 C151 121.5(7) .
C149 C150 C151 120.0 .
F45 C151 C150 117.9(6) .
F45 C151 C146 122.0(6) .
C150 C151 C146 120.0 .
C153 C152 C157 120.0 .
C153 C152 C111 119.7(4) .
C157 C152 C111 120.3(4) .
F31 C153 C152 121.8(4) .
F31 C153 C154 118.2(4) .
C152 C153 C154 120.0 .
F32 C154 C155 119.3(4) .
F32 C154 C153 120.6(4) .
C155 C154 C153 120.0 .
F33 C155 C154 119.8(4) .
F33 C155 C156 120.2(4) .
C154 C155 C156 120.0 .
F34 C156 C157 120.4(4) .
F34 C156 C155 119.6(4) .
C157 C156 C155 120.0 .
F35 C157 C156 118.3(4) .
F35 C157 C152 121.7(4) .
C156 C157 C152 120.0 .
C159 C158 C163 120.0 .
C159 C158 C121 119.4(6) .
C163 C158 C121 119.8(6) .
F40 C159 C160 117.2(7) .
F40 C159 C158 122.8(7) .
C160 C159 C158 120.0 .
F39 C160 C161 117.1(8) .
F39 C160 C159 122.8(8) .
C161 C160 C159 120.0 .
F38 C161 C160 119.9(9) .
F38 C161 C162 120.1(9) .
C160 C161 C162 120.0 .
F37 C162 C161 119.4(7) .
F37 C162 C163 120.5(7) .
C161 C162 C163 120.0 .
F36 C163 C162 119.3(6) .
F36 C163 C158 120.7(6) .
C162 C163 C158 120.0 .
C261 C164 N24 113(3) .
C261 C164 C165 142(3) .
N24 C164 C165 105(3) .
C166 C165 C164 111(3) .
C166 C165 H147 124.7 .
C164 C165 H147 124.7 .
C165 C166 C167 105(2) .
C165 C166 H148 127.7 .
C167 C166 H148 127.7 .
N24 C167 C166 107(2) .
N24 C167 C168 127(3) .
C166 C167 C168 126(2) .
C268 C168 C169 131.0(14) .
C224 C168 C169 125.7(12) .
C169 C168 C167 115.5(14) .
C169 C168 C218 112.9(11) .
N27 C169 C168 124.6(10) .
N27 C169 C170 107.4(8) .
C168 C169 C170 128.0(10) .
C171 C170 C169 107.9(9) .
C171 C170 H73 126.0 .
C169 C170 H73 126.0 .
C170 C171 C172 107.6(9) .
C170 C171 H74 126.2 .
C172 C171 H74 126.2 .
N27 C172 C173 124.1(9) .
N27 C172 C171 109.2(8) .
C173 C172 C171 126.7(8) .
C174 C173 C172 125.9(8) .
C174 C173 C173 116.0(8) 2_655
C172 C173 C173 118.2(8) 2_655
N26 C174 C173 122.8(9) .
N26 C174 C175 109.6(9) .
C173 C174 C175 127.6(9) .
C176 C175 C174 106.5(10) .
C176 C175 H75 126.7 .
C174 C175 H75 126.7 .
C175 C176 C177 108.0(11) .
C175 C176 H76 126.0 .
C177 C176 H76 126.0 .
N26 C177 C178 125.4(11) .
N26 C177 C176 109.1(9) .
C178 C177 C176 125.5(11) .
C267 C178 C177 128.1(16) .
C267 C178 C188 113.2(15) .
C177 C178 C188 118.4(11) .
C177 C178 C179 116.0(15) .
C188 C178 C179 125.1(16) .
N25 C179 C180 110(2) .
N25 C179 C178 125(3) .
C180 C179 C178 124(2) .
C181 C180 C179 101(2) .
C181 C180 H149 129.3 .
C179 C180 H149 129.3 .
C182 C181 C180 112(2) .
C182 C181 H150 124.2 .
C180 C181 H150 124.2 .
N25 C182 C181 108(2) .
N25 C182 C266 111(3) .
C181 C182 C266 141(3) .
N28 C183 C184 120.8(10) .
N28 C183 H79 119.6 .
C184 C183 H79 119.6 .
C185 C184 C183 121.3(11) .
C185 C184 H80 119.3 .
C183 C184 H80 119.3 .
C186 C185 C184 117.9(10) .
C186 C185 H81 121.0 .
C184 C185 H81 121.0 .
C185 C186 C187 119.6(10) .
C185 C186 H82 120.2 .
C187 C186 H82 120.2 .
N28 C187 C186 122.5(10) .
N28 C187 H83 118.8 .
C186 C187 H83 118.8 .
C189 C188 C193 120.0 .
C189 C188 C178 120.6(11) .
C193 C188 C178 119.4(11) .
F5 C189 C188 120.9(12) .
F5 C189 C190 119.1(12) .
C188 C189 C190 120.0 .
F4 C190 C191 118.3(13) .
F4 C190 C189 121.7(13) .
C191 C190 C189 120.0 .
F3 C191 C190 121.8(14) .
F3 C191 C192 118.2(14) .
C190 C191 C192 120.0 .
F2 C192 C193 118.4(13) .
F2 C192 C191 121.6(13) .
C193 C192 C191 120.0 .
F1 C193 C192 117.5(11) .
F1 C193 C188 122.5(11) .
C192 C193 C188 120.0 .
C194 N30 C198 120.0 .
C194 N30 Co1 115.7(7) .
C198 N30 Co1 124.0(7) .
N30 C194 C195 120.0 .
N30 C194 H84 120.0 .
C195 C194 H84 120.0 .
C196 C195 C194 120.0 .
C196 C195 H85 120.0 .
C194 C195 H85 120.0 .
C195 C196 C197 120.0 .
C195 C196 H86 120.0 .
C197 C196 H86 120.0 .
C198 C197 C196 120.0 .
C198 C197 H87 120.0 .
C196 C197 H87 120.0 .
C197 C198 N30 120.0 .
C197 C198 H88 120.0 .
N30 C198 H88 120.0 .
C199 N29 C203 120.0 .
C199 N29 Co1 114.2(7) .
C203 N29 Co1 125.3(7) .
C200 C199 N29 120.0 .
C200 C199 H89 120.0 .
N29 C199 H89 120.0 .
C199 C200 C201 120.0 .
C199 C200 H90 120.0 .
C201 C200 H90 120.0 .
C202 C201 C200 120.0 .
C202 C201 H91 120.0 .
C200 C201 H91 120.0 .
C201 C202 C203 120.0 .
C201 C202 H92 120.0 .
C203 C202 H92 120.0 .
C202 C203 N29 120.0 .
C202 C203 H93 120.0 .
N29 C203 H93 120.0 .
C96 N31 C93 107.5(8) .
C96 N31 Co5 124.9(5) .
C93 N31 Co5 127.5(7) .
N25 Co1 N27 164.4(8) .
N24 Co1 N27 98.6(10) .
N25 Co1 N26 99.2(9) .
N24 Co1 N26 165.4(9) .
N27 Co1 N26 95.8(3) .
N25 Co1 N33 78.2(12) .
N27 Co1 N33 87.1(8) .
N26 Co1 N33 175.9(9) .
N25 Co1 N28 94.4(9) .
N24 Co1 N28 93.7(11) .
N27 Co1 N28 90.1(3) .
N26 Co1 N28 88.6(3) .
N33 Co1 N28 88.5(9) .
N24 Co1 N30 95.0(11) .
N27 Co1 N30 92.2(5) .
N26 Co1 N30 82.0(5) .
N28 Co1 N30 170.5(5) .
N24 Co1 N32 79.4(12) .
N27 Co1 N32 177.3(8) .
N26 Co1 N32 86.3(8) .
N28 Co1 N32 88.2(7) .
N30 Co1 N32 89.7(8) .
N25 Co1 N29 92.0(10) .
N27 Co1 N29 81.5(5) .
N26 Co1 N29 99.0(5) .
N33 Co1 N29 84.3(10) .
N28 Co1 N29 169.2(5) .
N12 Co2 N13 81.5(3) .
N12 Co2 N14 172.7(3) .
N13 Co2 N14 91.3(4) .
N12 Co2 N15 90.9(3) .
N13 Co2 N15 172.4(3) .
N14 Co2 N15 96.3(3) .
N12 Co2 N17 90.6(3) .
N13 Co2 N17 91.4(3) .
N14 Co2 N17 89.3(3) .
N15 Co2 N17 89.2(3) .
N12 Co2 N16 91.4(3) .
N13 Co2 N16 90.8(3) .
N14 Co2 N16 88.9(3) .
N15 Co2 N16 88.9(3) .
N17 Co2 N16 177.3(3) .
N19 Co3 N18 82.2(4) .
N19 Co3 N20 91.4(4) .
N18 Co3 N20 173.5(4) .
N19 Co3 N21 172.1(4) .
N18 Co3 N21 89.9(4) .
N20 Co3 N21 96.5(4) .
N19 Co3 N23 89.6(3) .
N18 Co3 N23 94.2(3) .
N20 Co3 N23 86.9(3) .
N21 Co3 N23 91.6(3) .
N19 Co3 N22 90.7(4) .
N18 Co3 N22 89.3(3) .
N20 Co3 N22 89.5(3) .
N21 Co3 N22 88.5(4) .
N23 Co3 N22 176.5(3) .
C58 F28 C234 110.6(16) .
N7 Co4 N6 81.7(3) .
N7 Co4 N9 173.3(3) .
N6 Co4 N9 91.6(3) .
N7 Co4 N8 91.3(3) .
N6 Co4 N8 173.0(3) .
N9 Co4 N8 95.4(3) .
N7 Co4 N11 89.9(3) .
N6 Co4 N11 89.9(3) .
N9 Co4 N11 89.9(3) .
N8 Co4 N11 90.3(3) .
N7 Co4 N10 91.3(3) .
N6 Co4 N10 90.2(3) .
N9 Co4 N10 88.9(3) .
N8 Co4 N10 89.7(3) .
N11 Co4 N10 178.8(3) .
N2 Co5 N1 81.3(4) .
N2 Co5 N31 172.4(3) .
N1 Co5 N31 91.2(3) .
N2 Co5 N3 91.6(3) .
N1 Co5 N3 172.9(3) .
N31 Co5 N3 96.0(3) .
N2 Co5 N4 89.6(3) .
N1 Co5 N4 90.2(3) .
N31 Co5 N4 89.9(3) .
N3 Co5 N4 89.8(3) .
N2 Co5 N5 90.8(3) .
N1 Co5 N5 90.4(3) .
N31 Co5 N5 89.8(3) .
N3 Co5 N5 89.5(3) .
N4 Co5 N5 179.3(3) .
C93 C92B C204 122.5(16) .
C93 C92B C91 115.2(14) .
C204 C92B C91 120.7(14) .
F46 C205 C204 121.6(10) .
F46 C205 C206 118.2(9) .
C204 C205 C206 120.0 .
C208 C204 C205 120.0 .
C208 C204 C92B 118.8(11) .
C205 C204 C92B 120.6(11) .
F55 C208 C204 122.3(9) .
F55 C208 C209 117.3(9) .
C204 C208 C209 120.0 .
F49 C209 C207 117.3(11) .
F49 C209 C208 122.7(11) .
C207 C209 C208 120.0 .
F48 C207 C209 120.3(11) .
F48 C207 C206 119.5(11) .
C209 C207 C206 120.0 .
F47 C206 C207 120.0(10) .
F47 C206 C205 120.0(10) .
C207 C206 C205 120.0 .
C91 C92A C210 119.1(19) .
C91 C92A C93 124(2) .
C210 C92A C93 113.6(18) .
C211 C210 C215 120.0 .
C211 C210 C92A 119.1(13) .
C215 C210 C92A 120.6(13) .
F53 C211 C210 121.7(13) .
F53 C211 C212 118.3(13) .
C210 C211 C212 120.0 .
F52 C212 C213 120.2(14) .
F52 C212 C211 119.8(14) .
C213 C212 C211 120.0 .
F54 C213 C212 119.5(14) .
F54 C213 C214 120.5(14) .
C212 C213 C214 120.0 .
F51 C214 C215 122.7(14) .
F51 C214 C213 117.2(14) .
C215 C214 C213 120.0 .
F50 C215 C214 119.4(12) .
F50 C215 C210 120.6(12) .
C214 C215 C210 120.0 .
C216 C217 C32 106.8(9) .
C216 C217 H94 126.6 .
C32 C217 H94 126.6 .
C217 C216 C30 108.2(10) .
C217 C216 H95 125.9 .
C30 C216 H95 125.9 .
C219 C218 C223 120.0 .
C219 C218 C168 123.6(10) .
C223 C218 C168 116.0(10) .
F59 C219 C218 121.1(14) .
F59 C219 C220 118.7(14) .
C218 C219 C220 120.0 .
F65 C220 C221 117.9(13) .
F65 C220 C219 122.1(13) .
C221 C220 C219 120.0 .
F57 C221 C222 120.5(13) .
F57 C221 C220 119.5(13) .
C222 C221 C220 120.0 .
F58 C222 C221 119.1(12) .
F58 C222 C223 120.8(12) .
C221 C222 C223 120.0 .
F56 C223 C222 117.8(12) .
F56 C223 C218 122.2(12) .
C222 C223 C218 120.0 .
C168 C224 C225 115.7(11) .
C168 C224 C229 124.3(11) .
C225 C224 C229 120.0 .
F62 C225 C226 119.7(12) .
F62 C225 C224 120.3(12) .
C226 C225 C224 120.0 .
F60 C226 C225 120.5(12) .
F60 C226 C227 119.5(12) .
C225 C226 C227 120.0 .
F61 C227 C228 122.0(13) .
F61 C227 C226 118.0(13) .
C228 C227 C226 120.0 .
F63 C228 C227 118.7(12) .
F63 C228 C229 121.1(12) .
C227 C228 C229 120.0 .
F64 C229 C228 117.0(11) .
F64 C229 C224 123.0(11) .
C228 C229 C224 120.0 .
C231 C232 C233 108.7(16) .
C231 C232 H96 110.0 .
C233 C232 H96 109.9 .
C231 C232 H97 109.9 .
C233 C232 H97 110.0 .
H96 C232 H97 108.3 .
C232 C231 C230 106.6(14) .
C232 C231 H98 110.4 .
C230 C231 H98 110.4 .
C232 C231 H99 110.4 .
C230 C231 H99 110.4 .
H98 C231 H99 108.6 .
C231 C230 H100 109.5 .
C231 C230 H101 109.5 .
H100 C230 H101 109.5 .
C231 C230 H102 109.5 .
H100 C230 H102 109.5 .
H101 C230 H102 109.5 .
C232 C233 C234 105.8(15) .
C232 C233 H103 110.6 .
C234 C233 H103 110.6 .
C232 C233 H104 110.6 .
C234 C233 H104 110.6 .
H103 C233 H104 108.7 .
C233 C234 F28 167(2) .
C233 C234 H132 109.5 .
F28 C234 H132 80.6 .
C233 C234 H133 109.5 .
F28 C234 H133 58.1 .
H132 C234 H133 109.5 .
C233 C234 H134 109.5 .
F28 C234 H134 73.7 .
H132 C234 H134 109.5 .
H133 C234 H134 109.5 .
C236 C235 H120 109.5 .
C236 C235 H121 109.5 .
H120 C235 H121 109.5 .
C236 C235 H122 109.5 .
H120 C235 H122 109.5 .
H121 C235 H122 109.5 .
C235 C236 C237 97(2) .
C235 C236 H123 112.3 .
C237 C236 H123 112.3 .
C235 C236 H124 112.3 .
C237 C236 H124 112.3 .
H123 C236 H124 109.9 .
C236 C237 C238 96(2) .
C236 C237 H125 112.6 .
C238 C237 H125 112.6 .
C236 C237 H126 112.6 .
C238 C237 H126 112.6 .
H125 C237 H126 110.1 .
C238 C239 H157 109.5 .
C238 C239 H158 109.5 .
H157 C239 H158 109.5 .
C238 C239 H159 109.5 .
H157 C239 H159 109.5 .
H158 C239 H159 109.5 .
C239 C238 C237 96(2) .
C239 C238 H130 112.5 .
C237 C238 H130 112.5 .
C239 C238 H131 112.5 .
C237 C238 H131 112.5 .
H130 C238 H131 110.0 .
C250 C251 C252 104.9(17) .
C250 C251 H135 110.8 .
C252 C251 H135 110.8 .
C250 C251 H136 110.8 .
C252 C251 H136 110.8 .
H135 C251 H136 108.8 .
C251 C250 H137 109.5 .
C251 C250 H138 109.5 .
H137 C250 H138 109.5 .
C251 C250 H139 109.5 .
H137 C250 H139 109.5 .
H138 C250 H139 109.5 .
C251 C252 C253 107.5(18) .
C251 C252 H140 110.2 .
C253 C252 H140 110.2 .
C251 C252 H141 110.2 .
C253 C252 H141 110.2 .
H140 C252 H141 108.5 .
C252 C253 C254 103.0(17) .
C252 C253 H142 111.2 .
C254 C253 H142 111.2 .
C252 C253 H143 111.2 .
C254 C253 H143 111.2 .
H142 C253 H143 109.1 .
C253 C254 H144 109.5 .
C253 C254 H145 109.5 .
H144 C254 H145 109.5 .
C253 C254 H146 109.5 .
H144 C254 H146 109.5 .
H145 C254 H146 109.5 .
C246 C247 C248 144(2) .
C245 C246 C247 147(3) .
C249 C248 C247 145(3) .
C256 C255 C260 120.0 .
C256 C255 C33 121.8(14) .
C260 C255 C33 118.2(14) .
F68 C256 C257 118.9(15) .
F68 C256 C255 121.1(15) .
C257 C256 C255 120.0 .
F67 C257 C258 118.3(15) .
F67 C257 C256 121.5(15) .
C258 C257 C256 120.0 .
F66 C258 C257 123.5(15) .
F66 C258 C259 116.2(15) .
C257 C258 C259 120.0 .
F69 C259 C258 111.7(18) .
F69 C259 C260 128.3(18) .
C258 C259 C260 120.0 .
F70 C260 C259 114(2) .
F70 C260 C255 124(2) .
C259 C260 C255 120.0 .
C265 C264 C268 108.1(18) .
C265 C264 H151 125.9 .
C268 C264 H151 125.9 .
C266 C265 C264 106(2) .
C266 C265 H152 127.1 .
C264 C265 H152 127.1 .
N33 C266 C182 110(2) .
N33 C266 C265 111(2) .
C182 C266 C265 139(3) .
C262 C263 C267 108(2) .
C262 C263 H153 126.1 .
C267 C263 H153 126.1 .
C263 C262 C261 108(3) .
C263 C262 H154 125.9 .
C261 C262 H154 125.9 .
C164 C261 N32 113(3) .
C164 C261 C262 141(3) .
N32 C261 C262 106(2) .
C178 C267 N32 118(2) .
C178 C267 C263 135(2) .
N32 C267 C263 107(2) .
C168 C268 N33 114.9(19) .
C168 C268 C264 138(2) .
N33 C268 C264 107(2) .
C261 N32 C267 111(2) .
C261 N32 Co1 113.7(18) .
C267 N32 Co1 135(2) .
C266 N33 C268 108(2) .
C266 N33 Co1 116.4(18) .
C268 N33 Co1 135(2) .
C77 C76 C81 120.0 .
C77 C76 C24 120.7(7) .
C81 C76 C24 119.1(7) .
F10 C77 C78 117.8(7) .
F10 C77 C76 122.2(7) .
C78 C77 C76 120.0 .
F9 C78 C79 118.5(7) .
F9 C78 C77 121.5(7) .
C79 C78 C77 120.0 .
F8 C79 C78 119.7(7) .
F8 C79 C80 120.3(7) .
C78 C79 C80 120.0 .
F7 C80 C81 121.1(7) .
F7 C80 C79 118.9(7) .
C81 C80 C79 120.0 .
F6 C81 C80 117.9(7) .
F6 C81 C76 121.9(7) .
C80 C81 C76 120.0 .
C281 C282 C283 160(4) .
C282 C283 C284 159(4) .
C282 C281 C280 159(5) .
Cl2 C285 Cl1 99(2) .
Cl2 C285 H155 112.0 .
Cl1 C285 H155 112.0 .
Cl2 C285 H156 112.0 .
Cl1 C285 H156 112.0 .
H155 C285 H156 109.7 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N1 C88 1.351(12) .
N1 C91 1.376(13) .
N1 Co5 1.872(7) .
N2 C103 1.371(11) .
N2 C106 1.374(11) .
N2 Co5 1.859(7) .
N3 C98 1.366(9) .
N3 C101 1.379(10) .
N3 Co5 1.895(6) .
N4 C140 1.341(12) .
N4 C136 1.358(10) .
N4 Co5 1.974(7) .
N5 C141 1.330(12) .
N5 C145 1.354(11) .
N5 Co5 1.993(7) .
N6 C107 1.361(9) .
N6 C110 1.367(9) .
N6 Co4 1.867(6) .
N7 C125 1.365(10) .
N7 C122 1.375(10) .
N7 Co4 1.866(6) .
N8 C117 1.363(9) .
N8 C120 1.382(9) .
N8 Co4 1.898(6) .
N9 C115 1.382(9) .
N9 C112 1.388(9) .
N9 Co4 1.886(6) .
N10 C135 1.346(9) .
N10 C131 1.352(9) .
N10 Co4 1.995(6) .
N11 C130 1.331(10) .
N11 C126 1.338(10) .
N11 Co4 1.972(6) .
N12 C19 1.366(10) .
N12 C16 1.366(9) .
N12 Co2 1.857(6) .
N13 C4 1.359(11) .
N13 C1 1.363(12) .
N13 Co2 1.865(7) .
N14 C9 1.380(13) .
N14 C6 1.393(12) .
N14 Co2 1.882(8) .
N15 C11 1.371(10) .
N15 C14 1.380(9) .
N15 Co2 1.893(6) .
N16 C42 1.337(10) .
N16 C38 1.343(10) .
N16 Co2 1.980(7) .
N17 C43 1.322(12) .
N17 C47 1.330(10) .
N17 Co2 1.974(7) .
N18 C37 1.360(13) .
N18 C34 1.361(11) .
N18 Co3 1.878(8) .
N19 C23 1.347(12) .
N19 C20 1.369(12) .
N19 Co3 1.867(8) .
N20 C28 1.358(12) .
N20 C25 1.395(12) .
N20 Co3 1.886(8) .
N21 C30 1.368(12) .
N21 C32 1.390(11) .
N21 Co3 1.896(7) .
N22 C70 1.334(13) .
N22 C66 1.360(13) .
N22 Co3 1.990(8) .
N23 C71 1.331(10) .
N23 C75 1.347(10) .
N23 Co3 1.973(6) .
N24 C167 1.29(4) .
N24 C164 1.38(4) .
N24 Co1 1.76(3) .
N25 C179 1.35(4) .
N25 C182 1.37(4) .
N25 Co1 1.75(3) .
N26 C177 1.359(13) .
N26 C174 1.378(11) .
N26 Co1 1.891(8) .
N27 C172 1.364(10) .
N27 C169 1.392(12) .
N27 Co1 1.886(8) .
N28 C183 1.339(12) .
N28 C187 1.341(11) .
N28 Co1 1.977(7) .
C1 C19 1.406(12) .
C1 C2 1.434(12) .
C2 C3 1.365(15) .
C2 H1 0.9500 .
C3 C4 1.422(15) .
C3 H2 0.9500 .
C4 C5 1.393(16) .
C5 C6 1.397(16) .
C5 C61 1.515(14) .
C5 C54 1.53(2) .
C6 C7 1.449(17) .
C7 C8 1.340(18) .
C7 H3 0.9500 .
C8 C9 1.446(13) .
C8 H4 0.9500 .
C9 C10 1.387(14) .
C10 C11 1.394(11) .
C10 C29 1.478(13) .
C11 C12 1.439(12) .
C12 C13 1.351(11) .
C12 H5 0.9500 .
C13 C14 1.433(10) .
C13 H6 0.9500 .
C14 C15 1.403(10) .
C15 C16 1.408(10) .
C15 C48 1.477(10) .
C16 C17 1.420(11) .
C17 C18 1.378(11) .
C17 H7 0.9500 .
C18 C19 1.398(12) .
C18 H8 0.9500 .
C20 C37 1.405(14) .
C20 C21 1.418(15) .
C21 C22 1.364(15) .
C21 H9 0.9500 .
C22 C23 1.421(14) .
C22 H10 0.9500 .
C23 C24 1.395(13) .
C24 C25 1.409(14) .
C24 C76 1.491(11) .
C25 C26 1.444(14) .
C26 C27 1.349(14) .
C26 H11 0.9500 .
C27 C28 1.457(13) .
C27 H12 0.9500 .
C28 C29 1.409(14) .
C29 C30 1.403(13) .
C30 C216 1.427(14) .
C32 C33 1.409(14) .
C32 C217 1.429(14) .
C33 C34 1.396(14) .
C33 C255 1.466(17) .
C33 C82 1.568(13) .
C34 C35 1.420(15) .
C35 C36 1.368(16) .
C35 H13 0.9500 .
C36 C37 1.422(15) .
C36 H14 0.9500 .
C38 C39 1.390(11) .
C38 H15 0.9500 .
C39 C40 1.364(12) .
C39 H16 0.9500 .
C40 C41 1.372(13) .
C40 H17 0.9500 .
C41 C42 1.384(12) .
C41 H18 0.9500 .
C42 H19 0.9500 .
C43 C44 1.389(16) .
C43 H20 0.9500 .
C44 C45 1.363(16) .
C44 H21 0.9500 .
C45 C46 1.317(14) .
C45 H22 0.9500 .
C46 C47 1.372(12) .
C46 H23 0.9500 .
C47 H24 0.9500 .
C48 C49 1.374(10) .
C48 C53 1.389(10) .
C49 C50 1.358(10) .
C49 F20 1.364(8) .
C50 F19 1.353(8) .
C50 C51 1.380(11) .
C51 F18 1.339(8) .
C51 C52 1.363(10) .
C52 F17 1.349(8) .
C52 C53 1.376(10) .
C53 F16 1.346(8) .
C54 C59 1.29(3) .
C54 C55 1.32(3) .
C55 C56 1.39(3) .
C55 F26 1.40(3) .
C56 C57 1.32(3) .
C56 F27 1.39(3) .
C57 F30 1.36(2) .
C57 C58 1.37(3) .
C58 F28 1.35(2) .
C58 C59 1.41(3) .
C59 F29 1.40(2) .
C60 F21 1.360(16) .
C60 C61 1.3900 .
C60 C65 1.3900 .
C61 C62 1.3900 .
C62 F24 1.307(15) .
C62 C63 1.3900 .
C63 F25 1.308(16) .
C63 C64 1.3900 .
C64 F23 1.322(14) .
C64 C65 1.3900 .
C65 F22 1.329(15) .
C66 C67 1.350(14) .
C66 H25 0.9500 .
C67 C68 1.365(17) .
C67 H26 0.9500 .
C68 C69 1.368(17) .
C68 H27 0.9500 .
C69 C70 1.398(14) .
C69 H28 0.9500 .
C70 H29 0.9500 .
C71 C72 1.373(12) .
C71 H30 0.9500 .
C72 C73 1.376(12) .
C72 H31 0.9500 .
C73 C74 1.376(12) .
C73 H32 0.9500 .
C74 C75 1.371(11) .
C74 H33 0.9500 .
C75 H34 0.9500 .
C82 C83 1.3900 .
C82 C87 1.3900 .
C83 F11 1.38(2) .
C83 C84 1.3900 .
C84 F12 1.334(19) .
C84 C85 1.3900 .
C85 F13 1.352(12) .
C85 C86 1.3900 .
C86 F14 1.302(14) .
C86 C87 1.3900 .
C87 F15 1.291(17) .
C88 C106 1.388(14) .
C88 C89 1.413(14) .
C89 C90 1.38(2) .
C89 H35 0.9500 .
C90 C91 1.441(16) .
C90 H36 0.9500 .
C91 C92A 1.20(3) .
C91 C92B 1.58(2) .
C93 C92B 1.33(2) .
C93 N31 1.375(11) .
C93 C94 1.408(15) .
C93 C92A 1.58(3) .
C94 C95 1.342(13) .
C94 H37 0.9500 .
C95 C96 1.431(11) .
C95 H38 0.9500 .
C96 N31 1.365(10) .
C96 C97 1.407(10) .
C97 C98 1.407(10) .
C97 C116 1.493(11) .
C98 C99 1.431(10) .
C99 C100 1.359(11) .
C99 H39 0.9500 .
C100 C101 1.428(11) .
C100 H40 0.9500 .
C101 C102 1.399(11) .
C102 C103 1.426(12) .
C102 C146 1.488(10) .
C103 C104 1.434(12) .
C104 C105 1.387(14) .
C104 H41 0.9500 .
C105 C106 1.404(14) .
C105 H42 0.9500 .
C107 C125 1.422(11) .
C107 C108 1.425(11) .
C108 C109 1.376(11) .
C108 H43 0.9500 .
C109 C110 1.439(11) .
C109 H44 0.9500 .
C110 C111 1.406(11) .
C111 C112 1.403(10) .
C111 C152 1.506(8) .
C112 C113 1.446(10) .
C113 C114 1.347(10) .
C113 H45 0.9500 .
C114 C115 1.427(10) .
C114 H46 0.9500 .
C115 C116 1.408(10) .
C116 C117 1.398(10) .
C117 C118 1.428(10) .
C118 C119 1.351(11) .
C118 H47 0.9500 .
C119 C120 1.430(11) .
C119 H48 0.9500 .
C120 C121 1.396(11) .
C121 C122 1.395(12) .
C121 C158 1.496(9) .
C122 C123 1.448(12) .
C123 C124 1.369(12) .
C123 H49 0.9500 .
C124 C125 1.407(11) .
C124 H50 0.9500 .
C126 C127 1.376(11) .
C126 H51 0.9500 .
C127 C128 1.388(13) .
C127 H52 0.9500 .
C128 C129 1.356(13) .
C128 H53 0.9500 .
C129 C130 1.384(12) .
C129 H54 0.9500 .
C130 H55 0.9500 .
C131 C132 1.371(11) .
C131 H56 0.9500 .
C132 C133 1.362(12) .
C132 H57 0.9500 .
C133 C134 1.365(12) .
C133 H58 0.9500 .
C134 C135 1.374(11) .
C134 H59 0.9500 .
C135 H60 0.9500 .
C136 C137 1.382(12) .
C136 H61 0.9500 .
C137 C138 1.364(15) .
C137 H62 0.9500 .
C138 C139 1.377(15) .
C138 H63 0.9500 .
C139 C140 1.366(14) .
C139 H64 0.9500 .
C140 H65 0.9500 .
C141 C142 1.406(13) .
C141 H66 0.9500 .
C142 C143 1.392(18) .
C142 H67 0.9500 .
C143 C144 1.329(18) .
C143 H68 0.9500 .
C144 C145 1.381(15) .
C144 H69 0.9500 .
C145 H70 0.9500 .
C146 C147 1.3900 .
C146 C151 1.3900 .
C147 F41 1.304(7) .
C147 C148 1.3900 .
C148 F42 1.319(7) .
C148 C149 1.3900 .
C149 F43 1.324(7) .
C149 C150 1.3900 .
C150 F44 1.312(8) .
C150 C151 1.3900 .
C151 F45 1.287(8) .
C152 C153 1.3900 .
C152 C157 1.3900 .
C153 F31 1.312(5) .
C153 C154 1.3900 .
C154 F32 1.323(5) .
C154 C155 1.3900 .
C155 F33 1.327(5) .
C155 C156 1.3900 .
C156 F34 1.322(5) .
C156 C157 1.3900 .
C157 F35 1.314(5) .
C158 C159 1.3900 .
C158 C163 1.3900 .
C159 F40 1.272(9) .
C159 C160 1.3900 .
C160 F39 1.306(9) .
C160 C161 1.3900 .
C161 F38 1.354(8) .
C161 C162 1.3900 .
C162 F37 1.324(11) .
C162 C163 1.3900 .
C163 F36 1.311(8) .
C164 C261 1.33(3) .
C164 C165 1.40(4) .
C165 C166 1.34(4) .
C165 H147 0.9500 .
C166 C167 1.49(4) .
C166 H148 0.9500 .
C167 C168 1.66(3) .
C168 C268 1.24(2) .
C168 C224 1.366(14) .
C168 C169 1.395(13) .
C168 C218 1.730(17) .
C169 C170 1.437(13) .
C170 C171 1.356(12) .
C170 H73 0.9500 .
C171 C172 1.421(12) .
C171 H74 0.9500 .
C172 C173 1.412(12) .
C173 C174 1.393(12) .
C173 C173 1.526(16) 2_655
C174 C175 1.428(13) .
C175 C176 1.348(14) .
C175 H75 0.9500 .
C176 C177 1.434(16) .
C176 H76 0.9500 .
C177 C178 1.432(15) .
C178 C267 1.20(3) .
C178 C188 1.489(15) .
C178 C179 1.65(3) .
C179 C180 1.49(4) .
C180 C181 1.39(3) .
C180 H149 0.9500 .
C181 C182 1.39(4) .
C181 H150 0.9500 .
C182 C266 1.39(3) .
C183 C184 1.373(13) .
C183 H79 0.9500 .
C184 C185 1.366(15) .
C184 H80 0.9500 .
C185 C186 1.346(15) .
C185 H81 0.9500 .
C186 C187 1.384(13) .
C186 H82 0.9500 .
C187 H83 0.9500 .
C188 C189 1.3900 .
C188 C193 1.3900 .
C189 F5 1.296(12) .
C189 C190 1.3900 .
C190 F4 1.290(17) .
C190 C191 1.3900 .
C191 F3 1.317(11) .
C191 C192 1.3900 .
C192 F2 1.352(13) .
C192 C193 1.3900 .
C193 F1 1.310(15) .
N30 C194 1.3900 .
N30 C198 1.3900 .
N30 Co1 1.979(9) .
C194 C195 1.3900 .
C194 H84 0.9500 .
C195 C196 1.3900 .
C195 H85 0.9500 .
C196 C197 1.3900 .
C196 H86 0.9500 .
C197 C198 1.3900 .
C197 H87 0.9500 .
C198 H88 0.9500 .
N29 C199 1.3900 .
N29 C203 1.3900 .
N29 Co1 2.009(11) .
C199 C200 1.3900 .
C199 H89 0.9500 .
C200 C201 1.3900 .
C200 H90 0.9500 .
C201 C202 1.3900 .
C201 H91 0.9500 .
C202 C203 1.3900 .
C202 H92 0.9500 .
C203 H93 0.9500 .
N31 Co5 1.889(7) .
Co1 N33 1.97(3) .
Co1 N32 1.98(3) .
F28 C234 1.89(3) .
F46 C205 1.298(12) .
F47 C206 1.323(13) .
F48 C207 1.349(13) .
F49 C209 1.327(16) .
F55 C208 1.332(14) .
C92B C204 1.51(2) .
C205 C204 1.3900 .
C205 C206 1.3900 .
C204 C208 1.3900 .
C208 C209 1.3900 .
C209 C207 1.3900 .
C207 C206 1.3900 .
C92A C210 1.57(3) .
C210 C211 1.3900 .
C210 C215 1.3900 .
C211 F53 1.316(17) .
C211 C212 1.3900 .
C212 F52 1.324(18) .
C212 C213 1.3900 .
C213 F54 1.351(18) .
C213 C214 1.3900 .
C214 F51 1.317(17) .
C214 C215 1.3900 .
C215 F50 1.283(16) .
C217 C216 1.370(14) .
C217 H94 0.9500 .
C216 H95 0.9500 .
F56 C223 1.308(16) .
F57 C221 1.327(16) .
F58 C222 1.334(16) .
F59 C219 1.25(2) .
F65 C220 1.334(19) .
C218 C219 1.3900 .
C218 C223 1.3900 .
C219 C220 1.3900 .
C220 C221 1.3900 .
C221 C222 1.3900 .
C222 C223 1.3900 .
F60 C226 1.297(18) .
F61 C227 1.335(15) .
F62 C225 1.365(18) .
F63 C228 1.333(16) .
F64 C229 1.316(16) .
C224 C225 1.3900 .
C224 C229 1.3900 .
C225 C226 1.3900 .
C226 C227 1.3900 .
C227 C228 1.3900 .
C228 C229 1.3900 .
C232 C231 1.517(16) .
C232 C233 1.536(16) .
C232 H96 0.9900 .
C232 H97 0.9900 .
C231 C230 1.578(15) .
C231 H98 0.9900 .
C231 H99 0.9900 .
C230 H100 0.9800 .
C230 H101 0.9800 .
C230 H102 0.9800 .
C233 C234 1.593(17) .
C233 H103 0.9900 .
C233 H104 0.9900 .
C234 H132 0.9800 .
C234 H133 0.9800 .
C234 H134 0.9800 .
C235 C236 1.482(19) .
C235 H120 0.9800 .
C235 H121 0.9800 .
C235 H122 0.9800 .
C236 C237 1.53(2) .
C236 H123 0.9900 .
C236 H124 0.9900 .
C237 C238 1.54(2) .
C237 H125 0.9900 .
C237 H126 0.9900 .
C239 C238 1.54(2) .
C239 H157 0.9800 .
C239 H158 0.9800 .
C239 H159 0.9800 .
C238 H130 0.9900 .
C238 H131 0.9900 .
C251 C250 1.525(19) .
C251 C252 1.531(19) .
C251 H135 0.9900 .
C251 H136 0.9900 .
C250 H137 0.9800 .
C250 H138 0.9800 .
C250 H139 0.9800 .
C252 C253 1.555(19) .
C252 H140 0.9900 .
C252 H141 0.9900 .
C253 C254 1.620(19) .
C253 H142 0.9900 .
C253 H143 0.9900 .
C254 H144 0.9800 .
C254 H145 0.9800 .
C254 H146 0.9800 .
C247 C246 1.455(10) .
C247 C248 1.460(10) .
C245 C246 1.452(10) .
C248 C249 1.455(10) .
F66 C258 1.369(19) .
F67 C257 1.306(19) .
F68 C256 1.32(2) .
F69 C259 1.27(2) .
C255 C256 1.3900 .
C255 C260 1.3900 .
C256 C257 1.3900 .
C257 C258 1.3900 .
C258 C259 1.3900 .
C259 C260 1.3900 .
C260 F70 1.364(18) .
C264 C265 1.42(3) .
C264 C268 1.43(3) .
C264 H151 0.9500 .
C265 C266 1.41(3) .
C265 H152 0.9500 .
C266 N33 1.36(4) .
C263 C262 1.37(3) .
C263 C267 1.41(4) .
C263 H153 0.9500 .
C262 C261 1.43(4) .
C262 H154 0.9500 .
C261 N32 1.35(4) .
C267 N32 1.37(3) .
C268 N33 1.41(3) .
C76 C77 1.3900 .
C76 C81 1.3900 .
C77 F10 1.288(9) .
C77 C78 1.3900 .
C78 F9 1.326(8) .
C78 C79 1.3900 .
C79 F8 1.334(8) .
C79 C80 1.3900 .
C80 F7 1.321(9) .
C80 C81 1.3900 .
C81 F6 1.305(9) .
C280 C281 1.539(10) .
C282 C281 1.530(10) .
C282 C283 1.533(10) .
C283 C284 1.533(10) .
Cl1 C285 1.80(2) .
C285 Cl2 1.77(2) .
C285 H155 0.9900 .
C285 H156 0.9900 .
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
C4 N13 C1 C19 -179.3(7) . .
Co2 N13 C1 C19 -1.4(9) . .
C4 N13 C1 C2 1.2(10) . .
Co2 N13 C1 C2 179.0(5) . .
N13 C1 C2 C3 -0.9(10) . .
C19 C1 C2 C3 179.8(11) . .
C1 C2 C3 C4 0.3(11) . .
C1 N13 C4 C5 177.3(9) . .
Co2 N13 C4 C5 -0.2(14) . .
C1 N13 C4 C3 -1.0(10) . .
Co2 N13 C4 C3 -178.4(6) . .
C2 C3 C4 N13 0.4(11) . .
C2 C3 C4 C5 -177.5(11) . .
N13 C4 C5 C6 0.9(16) . .
C3 C4 C5 C6 178.6(11) . .
N13 C4 C5 C61 -175.1(11) . .
C3 C4 C5 C61 3(2) . .
N13 C4 C5 C54 -176.7(12) . .
C3 C4 C5 C54 1.0(18) . .
C9 N14 C6 C5 -178.6(11) . .
Co2 N14 C6 C5 -3.3(15) . .
C9 N14 C6 C7 0.5(12) . .
Co2 N14 C6 C7 175.7(7) . .
C4 C5 C6 N14 0.9(18) . .
C61 C5 C6 N14 177.7(10) . .
C54 C5 C6 N14 177.7(15) . .
C4 C5 C6 C7 -178.0(11) . .
C61 C5 C6 C7 -1.2(17) . .
C54 C5 C6 C7 -1(2) . .
N14 C6 C7 C8 -0.9(14) . .
C5 C6 C7 C8 178.1(12) . .
C6 C7 C8 C9 1.0(15) . .
C6 N14 C9 C10 177.8(10) . .
Co2 N14 C9 C10 2.4(15) . .
C6 N14 C9 C8 0.1(12) . .
Co2 N14 C9 C8 -175.2(7) . .
C7 C8 C9 N14 -0.7(14) . .
C7 C8 C9 C10 -178.3(12) . .
N14 C9 C10 C11 0.5(17) . .
C8 C9 C10 C11 177.7(10) . .
N14 C9 C10 C29 -174.4(10) . .
C8 C9 C10 C29 2.7(17) . .
C14 N15 C11 C10 179.3(8) . .
Co2 N15 C11 C10 0.9(12) . .
C14 N15 C11 C12 -0.8(9) . .
Co2 N15 C11 C12 -179.2(5) . .
C9 C10 C11 N15 -2.3(16) . .
C29 C10 C11 N15 172.9(8) . .
C9 C10 C11 C12 177.8(10) . .
C29 C10 C11 C12 -7.1(14) . .
N15 C11 C12 C13 1.2(10) . .
C10 C11 C12 C13 -178.8(9) . .
C11 C12 C13 C14 -1.2(9) . .
C11 N15 C14 C15 178.7(8) . .
Co2 N15 C14 C15 -2.9(11) . .
C11 N15 C14 C13 0.1(9) . .
Co2 N15 C14 C13 178.4(5) . .
C12 C13 C14 N15 0.7(9) . .
C12 C13 C14 C15 -177.9(8) . .
N15 C14 C15 C16 -0.1(12) . .
C13 C14 C15 C16 178.2(8) . .
N15 C14 C15 C48 175.4(7) . .
C13 C14 C15 C48 -6.2(12) . .
C19 N12 C16 C15 178.0(7) . .
Co2 N12 C16 C15 0.1(11) . .
C19 N12 C16 C17 -0.9(8) . .
Co2 N12 C16 C17 -178.9(6) . .
C14 C15 C16 N12 1.6(12) . .
C48 C15 C16 N12 -174.0(7) . .
C14 C15 C16 C17 -179.7(8) . .
C48 C15 C16 C17 4.7(13) . .
N12 C16 C17 C18 0.6(9) . .
C15 C16 C17 C18 -178.2(8) . .
C16 C17 C18 C19 -0.1(9) . .
C16 N12 C19 C18 0.9(9) . .
Co2 N12 C19 C18 179.2(5) . .
C16 N12 C19 C1 -178.5(7) . .
Co2 N12 C19 C1 -0.3(9) . .
C17 C18 C19 N12 -0.5(9) . .
C17 C18 C19 C1 178.7(10) . .
N13 C1 C19 N12 1.1(10) . .
C2 C1 C19 N12 -179.6(10) . .
N13 C1 C19 C18 -178.1(10) . .
C2 C1 C19 C18 1(2) . .
C23 N19 C20 C37 173.4(9) . .
Co3 N19 C20 C37 3.2(12) . .
C23 N19 C20 C21 -1.1(12) . .
Co3 N19 C20 C21 -171.3(7) . .
N19 C20 C21 C22 1.0(14) . .
C37 C20 C21 C22 -170.8(14) . .
C20 C21 C22 C23 -0.6(15) . .
C20 N19 C23 C24 179.6(9) . .
Co3 N19 C23 C24 -12.3(14) . .
C20 N19 C23 C22 0.8(12) . .
Co3 N19 C23 C22 168.9(8) . .
C21 C22 C23 N19 -0.1(13) . .
C21 C22 C23 C24 -178.8(11) . .
N19 C23 C24 C25 0.5(15) . .
C22 C23 C24 C25 179.0(11) . .
N19 C23 C24 C76 -179.1(8) . .
C22 C23 C24 C76 -0.6(17) . .
C28 N20 C25 C24 -178.5(9) . .
Co3 N20 C25 C24 0.2(13) . .
C28 N20 C25 C26 -1.2(10) . .
Co3 N20 C25 C26 177.6(6) . .
C23 C24 C25 N20 5.2(16) . .
C76 C24 C25 N20 -175.2(8) . .
C23 C24 C25 C26 -171.7(10) . .
C76 C24 C25 C26 7.9(15) . .
N20 C25 C26 C27 -0.5(12) . .
C24 C25 C26 C27 176.9(10) . .
C25 C26 C27 C28 1.8(12) . .
C25 N20 C28 C29 -176.3(9) . .
Co3 N20 C28 C29 5.0(13) . .
C25 N20 C28 C27 2.2(10) . .
Co3 N20 C28 C27 -176.5(6) . .
C26 C27 C28 N20 -2.5(12) . .
C26 C27 C28 C29 175.9(10) . .
N20 C28 C29 C30 3.0(16) . .
C27 C28 C29 C30 -175.2(10) . .
N20 C28 C29 C10 -175.6(9) . .
C27 C28 C29 C10 6.2(15) . .
C9 C10 C29 C30 102.8(12) . .
C11 C10 C29 C30 -72.6(12) . .
C9 C10 C29 C28 -78.5(13) . .
C11 C10 C29 C28 106.1(11) . .
C32 N21 C30 C29 -173.6(9) . .
Co3 N21 C30 C29 0.0(13) . .
C32 N21 C30 C216 2.6(10) . .
Co3 N21 C30 C216 176.2(6) . .
C28 C29 C30 N21 -5.6(15) . .
C10 C29 C30 N21 173.0(8) . .
C28 C29 C30 C216 178.9(10) . .
C10 C29 C30 C216 -2.5(15) . .
C30 N21 C32 C33 171.7(9) . .
Co3 N21 C32 C33 -1.6(13) . .
C30 N21 C32 C217 -3.5(10) . .
Co3 N21 C32 C217 -176.8(6) . .
N21 C32 C33 C34 0.6(14) . .
C217 C32 C33 C34 175.0(9) . .
N21 C32 C33 C255 -160.6(11) . .
C217 C32 C33 C255 13.8(15) . .
N21 C32 C33 C82 -170.0(9) . .
C217 C32 C33 C82 4.4(15) . .
C37 N18 C34 C33 -178.2(9) . .
Co3 N18 C34 C33 -7.9(14) . .
C37 N18 C34 C35 0.8(12) . .
Co3 N18 C34 C35 171.1(8) . .
C32 C33 C34 N18 3.8(14) . .
C255 C33 C34 N18 160.8(13) . .
C82 C33 C34 N18 175.2(9) . .
C32 C33 C34 C35 -174.9(11) . .
C255 C33 C34 C35 -18(2) . .
C82 C33 C34 C35 -3.5(17) . .
N18 C34 C35 C36 0.6(14) . .
C33 C34 C35 C36 179.4(12) . .
C34 C35 C36 C37 -1.6(16) . .
C34 N18 C37 C20 178.6(9) . .
Co3 N18 C37 C20 6.4(12) . .
C34 N18 C37 C36 -1.7(12) . .
Co3 N18 C37 C36 -174.0(8) . .
N19 C20 C37 N18 -6.1(14) . .
C21 C20 C37 N18 165.4(15) . .
N19 C20 C37 C36 174.5(15) . .
C21 C20 C37 C36 -14(3) . .
C35 C36 C37 N18 2.1(15) . .
C35 C36 C37 C20 -178.5(15) . .
C42 N16 C38 C39 3.6(12) . .
Co2 N16 C38 C39 -174.2(6) . .
N16 C38 C39 C40 -1.3(13) . .
C38 C39 C40 C41 -0.8(13) . .
C39 C40 C41 C42 0.5(14) . .
C38 N16 C42 C41 -3.9(12) . .
Co2 N16 C42 C41 173.9(7) . .
C40 C41 C42 N16 1.9(14) . .
C47 N17 C43 C44 2(2) . .
Co2 N17 C43 C44 -172.6(13) . .
N17 C43 C44 C45 -7(3) . .
C43 C44 C45 C46 7(3) . .
C44 C45 C46 C47 -2(2) . .
C43 N17 C47 C46 2.8(16) . .
Co2 N17 C47 C46 177.1(8) . .
C45 C46 C47 N17 -2.8(17) . .
C14 C15 C48 C49 -111.5(8) . .
C16 C15 C48 C49 64.2(10) . .
C14 C15 C48 C53 69.4(10) . .
C16 C15 C48 C53 -114.9(8) . .
C53 C48 C49 C50 -0.7(11) . .
C15 C48 C49 C50 -179.8(7) . .
C53 C48 C49 F20 -178.3(6) . .
C15 C48 C49 F20 2.5(11) . .
F20 C49 C50 F19 -1.8(10) . .
C48 C49 C50 F19 -179.5(7) . .
F20 C49 C50 C51 178.3(6) . .
C48 C49 C50 C51 0.6(12) . .
F19 C50 C51 F18 -0.2(11) . .
C49 C50 C51 F18 179.7(7) . .
F19 C50 C51 C52 179.4(7) . .
C49 C50 C51 C52 -0.8(11) . .
F18 C51 C52 F17 -1.3(11) . .
C50 C51 C52 F17 179.1(7) . .
F18 C51 C52 C53 -179.4(7) . .
C50 C51 C52 C53 1.0(11) . .
F17 C52 C53 F16 1.9(10) . .
C51 C52 C53 F16 -179.9(7) . .
F17 C52 C53 C48 -179.2(7) . .
C51 C52 C53 C48 -1.0(12) . .
C49 C48 C53 F16 179.7(6) . .
C15 C48 C53 F16 -1.2(11) . .
C49 C48 C53 C52 0.9(11) . .
C15 C48 C53 C52 180.0(7) . .
C4 C5 C54 C59 71(3) . .
C6 C5 C54 C59 -106(3) . .
C4 C5 C54 C55 -120(2) . .
C6 C5 C54 C55 62(3) . .
C59 C54 C55 C56 -5(4) . .
C5 C54 C55 C56 -174(2) . .
C59 C54 C55 F26 -174(2) . .
C5 C54 C55 F26 17(4) . .
C54 C55 C56 C57 4(5) . .
F26 C55 C56 C57 174(3) . .
C54 C55 C56 F27 -172(3) . .
F26 C55 C56 F27 -2(4) . .
C55 C56 C57 F30 -177(2) . .
F27 C56 C57 F30 -1(5) . .
C55 C56 C57 C58 -2(5) . .
F27 C56 C57 C58 174(2) . .
C56 C57 C58 F28 -178(3) . .
F30 C57 C58 F28 -2(4) . .
C56 C57 C58 C59 1(4) . .
F30 C57 C58 C59 177(2) . .
C55 C54 C59 F29 179(2) . .
C5 C54 C59 F29 -12(4) . .
C55 C54 C59 C58 3(4) . .
C5 C54 C59 C58 172(2) . .
F28 C58 C59 C54 177(2) . .
C57 C58 C59 C54 -1(4) . .
F28 C58 C59 F29 0(3) . .
C57 C58 C59 F29 -178(2) . .
F21 C60 C61 C62 -179.1(16) . .
C65 C60 C61 C62 0.0 . .
F21 C60 C61 C5 16.5(17) . .
C65 C60 C61 C5 -164.4(14) . .
C4 C5 C61 C60 106.2(14) . .
C6 C5 C61 C60 -70.3(14) . .
C4 C5 C61 C62 -58.6(16) . .
C6 C5 C61 C62 124.9(10) . .
C60 C61 C62 F24 178.0(18) . .
C5 C61 C62 F24 -17.1(17) . .
C60 C61 C62 C63 0.0 . .
C5 C61 C62 C63 164.9(14) . .
F24 C62 C63 F25 2.3(16) . .
C61 C62 C63 F25 -179.7(18) . .
F24 C62 C63 C64 -178.0(18) . .
C61 C62 C63 C64 0.0 . .
F25 C63 C64 F23 0.2(17) . .
C62 C63 C64 F23 -179.5(14) . .
F25 C63 C64 C65 179.7(18) . .
C62 C63 C64 C65 0.0 . .
F23 C64 C65 F22 0.6(18) . .
C63 C64 C65 F22 -178.9(16) . .
F23 C64 C65 C60 179.5(15) . .
C63 C64 C65 C60 0.0 . .
F21 C60 C65 F22 -1.9(16) . .
C61 C60 C65 F22 178.9(16) . .
F21 C60 C65 C64 179.2(15) . .
C61 C60 C65 C64 0.0 . .
C70 N22 C66 C67 -2(2) . .
Co3 N22 C66 C67 175.8(11) . .
N22 C66 C67 C68 2(2) . .
C66 C67 C68 C69 1(2) . .
C67 C68 C69 C70 -3(2) . .
C66 N22 C70 C69 -0.6(17) . .
Co3 N22 C70 C69 -178.1(9) . .
C68 C69 C70 N22 2.6(19) . .
C75 N23 C71 C72 0.0(13) . .
Co3 N23 C71 C72 175.0(7) . .
N23 C71 C72 C73 -0.7(14) . .
C71 C72 C73 C74 1.1(14) . .
C72 C73 C74 C75 -0.8(13) . .
C71 N23 C75 C74 0.4(12) . .
Co3 N23 C75 C74 -174.9(6) . .
C73 C74 C75 N23 0.1(13) . .
C34 C33 C82 C83 -78.7(11) . .
C32 C33 C82 C83 92.6(12) . .
C34 C33 C82 C87 110.4(10) . .
C32 C33 C82 C87 -78.3(12) . .
C87 C82 C83 F11 169.9(15) . .
C33 C82 C83 F11 -1.2(14) . .
C87 C82 C83 C84 0.0 . .
C33 C82 C83 C84 -171.1(12) . .
F11 C83 C84 F12 15.9(17) . .
C82 C83 C84 F12 -174.4(14) . .
F11 C83 C84 C85 -169.6(15) . .
C82 C83 C84 C85 0.0 . .
F12 C84 C85 F13 -8.0(15) . .
C83 C84 C85 F13 177.8(12) . .
F12 C84 C85 C86 174.2(15) . .
C83 C84 C85 C86 0.0 . .
F13 C85 C86 F14 0.9(15) . .
C84 C85 C86 F14 178.7(15) . .
F13 C85 C86 C87 -177.8(12) . .
C84 C85 C86 C87 0.0 . .
F14 C86 C87 F15 6.6(18) . .
C85 C86 C87 F15 -174.8(18) . .
F14 C86 C87 C82 -178.7(16) . .
C85 C86 C87 C82 0.0 . .
C83 C82 C87 F15 174.7(17) . .
C33 C82 C87 F15 -14.6(17) . .
C83 C82 C87 C86 0.0 . .
C33 C82 C87 C86 170.6(12) . .
C91 N1 C88 C106 177.0(9) . .
Co5 N1 C88 C106 1.3(11) . .
C91 N1 C88 C89 -0.5(12) . .
Co5 N1 C88 C89 -176.3(7) . .
N1 C88 C89 C90 1.3(14) . .
C106 C88 C89 C90 -175.2(13) . .
C88 C89 C90 C91 -1.5(17) . .
C88 N1 C91 C92A -161.2(18) . .
Co5 N1 C91 C92A 14(2) . .
C88 N1 C91 C90 -0.4(14) . .
Co5 N1 C91 C90 174.5(9) . .
C88 N1 C91 C92B 169.0(12) . .
Co5 N1 C91 C92B -16.1(18) . .
C89 C90 C91 C92A 158(2) . .
C89 C90 C91 N1 1.2(16) . .
C89 C90 C91 C92B -166.1(15) . .
C92B C93 C94 C95 166.7(13) . .
N31 C93 C94 C95 -1.2(13) . .
C92A C93 C94 C95 -164.0(16) . .
C93 C94 C95 C96 0.9(12) . .
C94 C95 C96 N31 -0.3(11) . .
C94 C95 C96 C97 175.4(9) . .
N31 C96 C97 C98 -1.3(13) . .
C95 C96 C97 C98 -176.2(8) . .
N31 C96 C97 C116 177.4(7) . .
C95 C96 C97 C116 2.5(12) . .
C101 N3 C98 C97 179.7(7) . .
Co5 N3 C98 C97 4.6(10) . .
C101 N3 C98 C99 1.0(8) . .
Co5 N3 C98 C99 -174.1(5) . .
C96 C97 C98 N3 -4.4(12) . .
C116 C97 C98 N3 176.9(6) . .
C96 C97 C98 C99 174.0(7) . .
C116 C97 C98 C99 -4.7(11) . .
N3 C98 C99 C100 -0.8(8) . .
C97 C98 C99 C100 -179.4(7) . .
C98 C99 C100 C101 0.3(8) . .
C98 N3 C101 C102 179.3(7) . .
Co5 N3 C101 C102 -5.7(11) . .
C98 N3 C101 C100 -0.9(8) . .
Co5 N3 C101 C100 174.2(5) . .
C99 C100 C101 N3 0.4(8) . .
C99 C100 C101 C102 -179.8(7) . .
N3 C101 C102 C103 0.5(12) . .
C100 C101 C102 C103 -179.4(7) . .
N3 C101 C102 C146 176.3(6) . .
C100 C101 C102 C146 -3.5(11) . .
C106 N2 C103 C102 177.2(7) . .
Co5 N2 C103 C102 0.0(12) . .
C106 N2 C103 C104 -0.9(9) . .
Co5 N2 C103 C104 -178.2(6) . .
C101 C102 C103 N2 2.4(12) . .
C146 C102 C103 N2 -173.4(7) . .
C101 C102 C103 C104 -179.9(8) . .
C146 C102 C103 C104 4.3(13) . .
N2 C103 C104 C105 0.6(9) . .
C102 C103 C104 C105 -177.3(9) . .
C103 C104 C105 C106 0.0(10) . .
C103 N2 C106 C88 -176.2(7) . .
Co5 N2 C106 C88 1.5(10) . .
C103 N2 C106 C105 0.9(9) . .
Co5 N2 C106 C105 178.7(5) . .
N1 C88 C106 N2 -1.7(11) . .
C89 C88 C106 N2 174.7(12) . .
N1 C88 C106 C105 -177.4(11) . .
C89 C88 C106 C105 -1(2) . .
C104 C105 C106 N2 -0.5(10) . .
C104 C105 C106 C88 175.3(12) . .
C110 N6 C107 C125 -178.0(6) . .
Co4 N6 C107 C125 -2.8(8) . .
C110 N6 C107 C108 1.4(8) . .
Co4 N6 C107 C108 176.6(5) . .
N6 C107 C108 C109 -0.6(9) . .
C125 C107 C108 C109 178.4(9) . .
C107 C108 C109 C110 -0.3(9) . .
C107 N6 C110 C111 177.1(6) . .
Co4 N6 C110 C111 3.0(10) . .
C107 N6 C110 C109 -1.6(8) . .
Co4 N6 C110 C109 -175.7(5) . .
C108 C109 C110 N6 1.1(8) . .
C108 C109 C110 C111 -177.3(8) . .
N6 C110 C111 C112 -1.9(11) . .
C109 C110 C111 C112 176.4(8) . .
N6 C110 C111 C152 -179.7(6) . .
C109 C110 C111 C152 -1.4(12) . .
C115 N9 C112 C111 179.1(7) . .
Co4 N9 C112 C111 -0.8(10) . .
C115 N9 C112 C113 0.5(7) . .
Co4 N9 C112 C113 -179.4(5) . .
C110 C111 C112 N9 1.0(11) . .
C152 C111 C112 N9 178.8(6) . .
C110 C111 C112 C113 179.4(7) . .
C152 C111 C112 C113 -2.8(10) . .
N9 C112 C113 C114 -0.2(8) . .
C111 C112 C113 C114 -178.8(7) . .
C112 C113 C114 C115 -0.1(8) . .
C112 N9 C115 C116 179.2(6) . .
Co4 N9 C115 C116 -0.9(10) . .
C112 N9 C115 C114 -0.6(8) . .
Co4 N9 C115 C114 179.3(5) . .
C113 C114 C115 N9 0.5(8) . .
C113 C114 C115 C116 -179.3(7) . .
N9 C115 C116 C117 0.4(11) . .
C114 C115 C116 C117 -179.9(7) . .
N9 C115 C116 C97 -179.5(6) . .
C114 C115 C116 C97 0.3(11) . .
C96 C97 C116 C117 -72.4(9) . .
C98 C97 C116 C117 106.4(8) . .
C96 C97 C116 C115 107.4(8) . .
C98 C97 C116 C115 -73.8(9) . .
C120 N8 C117 C116 179.6(7) . .
Co4 N8 C117 C116 0.9(10) . .
C120 N8 C117 C118 -0.2(8) . .
Co4 N8 C117 C118 -178.9(5) . .
C115 C116 C117 N8 -0.4(12) . .
C97 C116 C117 N8 179.5(7) . .
C115 C116 C117 C118 179.3(7) . .
C97 C116 C117 C118 -0.8(11) . .
N8 C117 C118 C119 0.1(9) . .
C116 C117 C118 C119 -179.7(7) . .
C117 C118 C119 C120 0.1(9) . .
C117 N8 C120 C121 -179.2(8) . .
Co4 N8 C120 C121 -0.4(12) . .
C117 N8 C120 C119 0.2(9) . .
Co4 N8 C120 C119 178.9(5) . .
C118 C119 C120 N8 -0.2(9) . .
C118 C119 C120 C121 179.2(8) . .
N8 C120 C121 C122 -2.4(14) . .
C119 C120 C121 C122 178.3(8) . .
N8 C120 C121 C158 -179.5(7) . .
C119 C120 C121 C158 1.3(13) . .
C125 N7 C122 C121 -179.4(7) . .
Co4 N7 C122 C121 -4.8(12) . .
C125 N7 C122 C123 0.2(9) . .
Co4 N7 C122 C123 174.8(6) . .
C120 C121 C122 N7 4.8(13) . .
C158 C121 C122 N7 -178.3(7) . .
C120 C121 C122 C123 -174.7(9) . .
C158 C121 C122 C123 2.2(15) . .
N7 C122 C123 C124 -1.0(9) . .
C121 C122 C123 C124 178.6(9) . .
C122 C123 C124 C125 1.4(9) . .
C122 N7 C125 C124 0.6(9) . .
Co4 N7 C125 C124 -174.9(5) . .
C122 N7 C125 C107 179.0(6) . .
Co4 N7 C125 C107 3.4(8) . .
C123 C124 C125 N7 -1.3(9) . .
C123 C124 C125 C107 -178.9(9) . .
N6 C107 C125 N7 -0.4(9) . .
C108 C107 C125 N7 -179.4(9) . .
N6 C107 C125 C124 177.2(9) . .
C108 C107 C125 C124 -1.9(18) . .
C130 N11 C126 C127 0.6(12) . .
Co4 N11 C126 C127 179.0(7) . .
N11 C126 C127 C128 0.4(14) . .
C126 C127 C128 C129 0.2(15) . .
C127 C128 C129 C130 -1.8(16) . .
C126 N11 C130 C129 -2.2(13) . .
Co4 N11 C130 C129 179.4(7) . .
C128 C129 C130 N11 2.9(15) . .
C135 N10 C131 C132 -0.3(11) . .
Co4 N10 C131 C132 179.5(6) . .
N10 C131 C132 C133 0.5(13) . .
C131 C132 C133 C134 0.1(13) . .
C132 C133 C134 C135 -0.8(13) . .
C131 N10 C135 C134 -0.5(12) . .
Co4 N10 C135 C134 179.7(6) . .
C133 C134 C135 N10 1.1(13) . .
C140 N4 C136 C137 -2.2(13) . .
Co5 N4 C136 C137 178.4(7) . .
N4 C136 C137 C138 2.1(15) . .
C136 C137 C138 C139 -1.2(17) . .
C137 C138 C139 C140 0.7(18) . .
C136 N4 C140 C139 1.7(15) . .
Co5 N4 C140 C139 -179.0(8) . .
C138 C139 C140 N4 -0.9(18) . .
C145 N5 C141 C142 0.4(14) . .
Co5 N5 C141 C142 -178.8(8) . .
N5 C141 C142 C143 0.6(16) . .
C141 C142 C143 C144 -2.0(18) . .
C142 C143 C144 C145 2(2) . .
C141 N5 C145 C144 -0.1(14) . .
Co5 N5 C145 C144 179.1(8) . .
C143 C144 C145 N5 -1.4(18) . .
C101 C102 C146 C147 99.9(7) . .
C103 C102 C146 C147 -84.0(8) . .
C101 C102 C146 C151 -74.3(8) . .
C103 C102 C146 C151 101.7(7) . .
C151 C146 C147 F41 -178.6(6) . .
C102 C146 C147 F41 7.2(7) . .
C151 C146 C147 C148 0.0 . .
C102 C146 C147 C148 -174.1(6) . .
F41 C147 C148 F42 -3.0(6) . .
C146 C147 C148 F42 178.4(6) . .
F41 C147 C148 C149 178.7(6) . .
C146 C147 C148 C149 0.0 . .
F42 C148 C149 F43 1.6(7) . .
C147 C148 C149 F43 180.0(7) . .
F42 C148 C149 C150 -178.4(6) . .
C147 C148 C149 C150 0.0 . .
F43 C149 C150 F44 0.9(8) . .
C148 C149 C150 F44 -179.1(8) . .
F43 C149 C150 C151 -180.0(6) . .
C148 C149 C150 C151 0.0 . .
F44 C150 C151 F45 -3.8(9) . .
C149 C150 C151 F45 177.2(8) . .
F44 C150 C151 C146 179.1(8) . .
C149 C150 C151 C146 0.0 . .
C147 C146 C151 F45 -177.0(8) . .
C102 C146 C151 F45 -2.7(8) . .
C147 C146 C151 C150 0.0 . .
C102 C146 C151 C150 174.3(6) . .
C112 C111 C152 C153 -67.8(7) . .
C110 C111 C152 C153 110.2(6) . .
C112 C111 C152 C157 110.0(6) . .
C110 C111 C152 C157 -72.1(7) . .
C157 C152 C153 F31 178.0(6) . .
C111 C152 C153 F31 -4.2(6) . .
C157 C152 C153 C154 0.0 . .
C111 C152 C153 C154 177.8(5) . .
F31 C153 C154 F32 -0.3(6) . .
C152 C153 C154 F32 177.8(6) . .
F31 C153 C154 C155 -178.1(5) . .
C152 C153 C154 C155 0.0 . .
F32 C154 C155 F33 1.3(6) . .
C153 C154 C155 F33 179.1(5) . .
F32 C154 C155 C156 -177.8(5) . .
C153 C154 C155 C156 0.0 . .
F33 C155 C156 F34 1.6(6) . .
C154 C155 C156 F34 -179.2(5) . .
F33 C155 C156 C157 -179.1(5) . .
C154 C155 C156 C157 0.0 . .
F34 C156 C157 F35 1.3(6) . .
C155 C156 C157 F35 -177.9(5) . .
F34 C156 C157 C152 179.2(5) . .
C155 C156 C157 C152 0.0 . .
C153 C152 C157 F35 177.8(5) . .
C111 C152 C157 F35 0.1(6) . .
C153 C152 C157 C156 0.0 . .
C111 C152 C157 C156 -177.8(6) . .
C122 C121 C158 C159 -96.9(8) . .
C120 C121 C158 C159 80.2(9) . .
C122 C121 C158 C163 92.9(8) . .
C120 C121 C158 C163 -89.9(8) . .
C163 C158 C159 F40 178.8(9) . .
C121 C158 C159 F40 8.6(10) . .
C163 C158 C159 C160 0.0 . .
C121 C158 C159 C160 -170.1(7) . .
F40 C159 C160 F39 2.8(9) . .
C158 C159 C160 F39 -178.3(9) . .
F40 C159 C160 C161 -178.8(9) . .
C158 C159 C160 C161 0.0 . .
F39 C160 C161 F38 -3.9(9) . .
C159 C160 C161 F38 177.6(8) . .
F39 C160 C161 C162 178.4(9) . .
C159 C160 C161 C162 0.0 . .
F38 C161 C162 F37 -0.6(10) . .
C160 C161 C162 F37 177.0(10) . .
F38 C161 C162 C163 -177.6(8) . .
C160 C161 C162 C163 0.0 . .
F37 C162 C163 F36 1.9(9) . .
C161 C162 C163 F36 178.8(9) . .
F37 C162 C163 C158 -177.0(10) . .
C161 C162 C163 C158 0.0 . .
C159 C158 C163 F36 -178.8(9) . .
C121 C158 C163 F36 -8.7(9) . .
C159 C158 C163 C162 0.0 . .
C121 C158 C163 C162 170.1(7) . .
C167 N24 C164 C261 -179(3) . .
Co1 N24 C164 C261 0(3) . .
C167 N24 C164 C165 -1(3) . .
Co1 N24 C164 C165 178(2) . .
C261 C164 C165 C166 179(3) . .
N24 C164 C165 C166 2(3) . .
C164 C165 C166 C167 -2(3) . .
C164 N24 C167 C166 0(3) . .
Co1 N24 C167 C166 -179(2) . .
C164 N24 C167 C168 -172(2) . .
Co1 N24 C167 C168 9(4) . .
C165 C166 C167 N24 1(3) . .
C165 C166 C167 C168 173(2) . .
N24 C167 C168 C169 -13(3) . .
C166 C167 C168 C169 177(2) . .
C172 N27 C169 C168 -178.9(9) . .
Co1 N27 C169 C168 -1.5(14) . .
C172 N27 C169 C170 0.6(10) . .
Co1 N27 C169 C170 177.9(6) . .
C268 C168 C169 N27 -5(2) . .
C224 C168 C169 N27 169.6(12) . .
C167 C168 C169 N27 8.3(18) . .
C218 C168 C169 N27 -172.2(9) . .
C268 C168 C169 C170 175.4(18) . .
C224 C168 C169 C170 -10(2) . .
C167 C168 C169 C170 -171.0(14) . .
C218 C168 C169 C170 8.5(15) . .
N27 C169 C170 C171 -0.8(11) . .
C168 C169 C170 C171 178.6(10) . .
C169 C170 C171 C172 0.7(11) . .
C169 N27 C172 C173 179.2(8) . .
Co1 N27 C172 C173 1.8(12) . .
C169 N27 C172 C171 -0.1(10) . .
Co1 N27 C172 C171 -177.5(6) . .
C170 C171 C172 N27 -0.4(11) . .
C170 C171 C172 C173 -179.7(9) . .
N27 C172 C173 C174 1.4(14) . .
C171 C172 C173 C174 -179.4(9) . .
N27 C172 C173 C173 -179.0(8) . 2_655
C171 C172 C173 C173 0.2(13) . 2_655
C177 N26 C174 C173 -178.1(10) . .
Co1 N26 C174 C173 -1.4(14) . .
C177 N26 C174 C175 1.1(12) . .
Co1 N26 C174 C175 177.8(7) . .
C172 C173 C174 N26 -1.6(15) . .
C173 C173 C174 N26 178.8(8) 2_655 .
C172 C173 C174 C175 179.4(10) . .
C173 C173 C174 C175 -0.2(15) 2_655 .
N26 C174 C175 C176 -1.1(13) . .
C173 C174 C175 C176 178.0(11) . .
C174 C175 C176 C177 0.7(15) . .
C174 N26 C177 C178 176.6(11) . .
Co1 N26 C177 C178 -0.1(17) . .
C174 N26 C177 C176 -0.6(13) . .
Co1 N26 C177 C176 -177.3(8) . .
C175 C176 C177 N26 -0.1(15) . .
C175 C176 C177 C178 -177.3(12) . .
N26 C177 C178 C267 7(3) . .
C176 C177 C178 C267 -175.8(19) . .
N26 C177 C178 C188 -178.0(12) . .
C176 C177 C178 C188 -1(2) . .
N26 C177 C178 C179 -5(2) . .
C176 C177 C178 C179 171.5(15) . .
C182 N25 C179 C180 -2(3) . .
Co1 N25 C179 C180 -175(2) . .
C182 N25 C179 C178 170(2) . .
Co1 N25 C179 C178 -4(4) . .
C177 C178 C179 N25 7(3) . .
C188 C178 C179 N25 180(2) . .
C177 C178 C179 C180 178(2) . .
C188 C178 C179 C180 -10(3) . .
N25 C179 C180 C181 1(3) . .
C178 C179 C180 C181 -171(2) . .
C179 C180 C181 C182 0(3) . .
C179 N25 C182 C181 2(3) . .
Co1 N25 C182 C181 175.8(18) . .
C179 N25 C182 C266 -178(2) . .
Co1 N25 C182 C266 -3(3) . .
C180 C181 C182 N25 -1(3) . .
C180 C181 C182 C266 178(3) . .
C187 N28 C183 C184 -0.3(14) . .
Co1 N28 C183 C184 175.1(8) . .
N28 C183 C184 C185 0.8(18) . .
C183 C184 C185 C186 0.3(19) . .
C184 C185 C186 C187 -1.7(17) . .
C183 N28 C187 C186 -1.1(13) . .
Co1 N28 C187 C186 -176.5(7) . .
C185 C186 C187 N28 2.2(15) . .
C267 C178 C188 C189 98.0(16) . .
C177 C178 C188 C189 -77.3(12) . .
C179 C178 C188 C189 110.7(16) . .
C267 C178 C188 C193 -84.1(16) . .
C177 C178 C188 C193 100.6(12) . .
C179 C178 C188 C193 -71.4(16) . .
C193 C188 C189 F5 179.9(10) . .
C178 C188 C189 F5 -2.2(12) . .
C193 C188 C189 C190 0.0 . .
C178 C188 C189 C190 177.9(9) . .
F5 C189 C190 F4 0.7(12) . .
C188 C189 C190 F4 -179.4(14) . .
F5 C189 C190 C191 -179.9(10) . .
C188 C189 C190 C191 0.0 . .
F4 C190 C191 F3 -1.8(12) . .
C189 C190 C191 F3 178.8(10) . .
F4 C190 C191 C192 179.4(14) . .
C189 C190 C191 C192 0.0 . .
F3 C191 C192 F2 0.9(11) . .
C190 C191 C192 F2 179.7(9) . .
F3 C191 C192 C193 -178.9(9) . .
C190 C191 C192 C193 0.0 . .
F2 C192 C193 F1 2.0(10) . .
C191 C192 C193 F1 -178.2(11) . .
F2 C192 C193 C188 -179.8(9) . .
C191 C192 C193 C188 0.0 . .
C189 C188 C193 F1 178.1(11) . .
C178 C188 C193 F1 0.2(11) . .
C189 C188 C193 C192 0.0 . .
C178 C188 C193 C192 -177.9(9) . .
C198 N30 C194 C195 0.0 . .
Co1 N30 C194 C195 -173.6(10) . .
N30 C194 C195 C196 0.0 . .
C194 C195 C196 C197 0.0 . .
C195 C196 C197 C198 0.0 . .
C196 C197 C198 N30 0.0 . .
C194 N30 C198 C197 0.0 . .
Co1 N30 C198 C197 173.1(11) . .
C203 N29 C199 C200 0.0 . .
Co1 N29 C199 C200 172.8(12) . .
N29 C199 C200 C201 0.0 . .
C199 C200 C201 C202 0.0 . .
C200 C201 C202 C203 0.0 . .
C201 C202 C203 N29 0.0 . .
C199 N29 C203 C202 0.0 . .
Co1 N29 C203 C202 -172.0(13) . .
C97 C96 N31 C93 -176.2(8) . .
C95 C96 N31 C93 -0.5(10) . .
C97 C96 N31 Co5 6.1(12) . .
C95 C96 N31 Co5 -178.1(6) . .
C92B C93 N31 C96 -165.1(15) . .
C94 C93 N31 C96 1.0(12) . .
C92A C93 N31 C96 167.3(12) . .
C92B C93 N31 Co5 13(2) . .
C94 C93 N31 Co5 178.6(7) . .
C92A C93 N31 Co5 -15.1(16) . .
C179 N25 Co1 N27 -166(2) . .
C182 N25 Co1 N27 21(5) . .
C179 N25 Co1 N26 -1(3) . .
C182 N25 Co1 N26 -174(2) . .
C179 N25 Co1 N33 175(3) . .
C182 N25 Co1 N33 2(2) . .
C179 N25 Co1 N28 88(2) . .
C182 N25 Co1 N28 -85(2) . .
C179 N25 Co1 N29 -101(2) . .
C182 N25 Co1 N29 86(2) . .
C167 N24 Co1 N27 -1(3) . .
C164 N24 Co1 N27 180(2) . .
C167 N24 Co1 N26 169(3) . .
C164 N24 Co1 N26 -10(6) . .
C167 N24 Co1 N28 -92(3) . .
C164 N24 Co1 N28 89(2) . .
C167 N24 Co1 N30 92(3) . .
C164 N24 Co1 N30 -87(2) . .
C167 N24 Co1 N32 -179(3) . .
C164 N24 Co1 N32 1(2) . .
C172 N27 Co1 N25 161(3) . .
C169 N27 Co1 N25 -16(4) . .
C172 N27 Co1 N24 174.2(12) . .
C169 N27 Co1 N24 -2.7(13) . .
C172 N27 Co1 N26 -3.5(7) . .
C169 N27 Co1 N26 179.6(7) . .
C172 N27 Co1 N33 179.5(11) . .
C169 N27 Co1 N33 2.6(11) . .
C172 N27 Co1 N28 -92.0(7) . .
C169 N27 Co1 N28 91.1(7) . .
C172 N27 Co1 N30 78.8(8) . .
C169 N27 Co1 N30 -98.1(8) . .
C172 N27 Co1 N29 94.8(8) . .
C169 N27 Co1 N29 -82.1(9) . .
C177 N26 Co1 N25 3.5(13) . .
C174 N26 Co1 N25 -172.5(11) . .
C177 N26 Co1 N24 9(5) . .
C174 N26 Co1 N24 -167(4) . .
C177 N26 Co1 N27 179.3(9) . .
C174 N26 Co1 N27 3.3(8) . .
C177 N26 Co1 N28 -90.7(9) . .
C174 N26 Co1 N28 93.3(8) . .
C177 N26 Co1 N30 87.9(10) . .
C174 N26 Co1 N30 -88.2(9) . .
C177 N26 Co1 N32 -2.4(11) . .
C174 N26 Co1 N32 -178.4(10) . .
C177 N26 Co1 N29 97.0(10) . .
C174 N26 Co1 N29 -79.0(9) . .
C19 N12 Co2 N13 -0.4(6) . .
C16 N12 Co2 N13 177.4(7) . .
C19 N12 Co2 N15 -179.9(6) . .
C16 N12 Co2 N15 -2.1(7) . .
C19 N12 Co2 N17 90.9(6) . .
C16 N12 Co2 N17 -91.3(7) . .
C19 N12 Co2 N16 -91.0(6) . .
C16 N12 Co2 N16 86.8(7) . .
C4 N13 Co2 N12 178.3(8) . .
C1 N13 Co2 N12 1.0(6) . .
C4 N13 Co2 N14 -1.5(8) . .
C1 N13 Co2 N14 -178.8(6) . .
C4 N13 Co2 N17 87.9(8) . .
C1 N13 Co2 N17 -89.4(6) . .
C4 N13 Co2 N16 -90.4(8) . .
C1 N13 Co2 N16 92.3(6) . .
C9 N14 Co2 N13 177.6(8) . .
C6 N14 Co2 N13 3.0(8) . .
C9 N14 Co2 N15 -2.9(8) . .
C6 N14 Co2 N15 -177.4(8) . .
C9 N14 Co2 N17 86.2(8) . .
C6 N14 Co2 N17 -88.3(8) . .
C9 N14 Co2 N16 -91.7(8) . .
C6 N14 Co2 N16 93.8(8) . .
C11 N15 Co2 N12 -178.5(7) . .
C14 N15 Co2 N12 3.4(7) . .
C11 N15 Co2 N14 1.4(7) . .
C14 N15 Co2 N14 -176.8(7) . .
C11 N15 Co2 N17 -87.9(7) . .
C14 N15 Co2 N17 94.0(7) . .
C11 N15 Co2 N16 90.2(7) . .
C14 N15 Co2 N16 -88.0(7) . .
C23 N19 Co3 N18 -167.5(9) . .
C20 N19 Co3 N18 0.1(7) . .
C23 N19 Co3 N20 13.8(9) . .
C20 N19 Co3 N20 -178.6(7) . .
C23 N19 Co3 N23 -73.2(9) . .
C20 N19 Co3 N23 94.4(7) . .
C23 N19 Co3 N22 103.3(9) . .
C20 N19 Co3 N22 -89.1(8) . .
C37 N18 Co3 N19 -3.7(7) . .
C34 N18 Co3 N19 -173.6(9) . .
C37 N18 Co3 N21 175.7(7) . .
C34 N18 Co3 N21 5.8(8) . .
C37 N18 Co3 N23 -92.7(7) . .
C34 N18 Co3 N23 97.4(8) . .
C37 N18 Co3 N22 87.2(8) . .
C34 N18 Co3 N22 -82.8(9) . .
C28 N20 Co3 N19 171.3(7) . .
C25 N20 Co3 N19 -7.2(8) . .
C28 N20 Co3 N21 -7.9(8) . .
C25 N20 Co3 N21 173.6(7) . .
C28 N20 Co3 N23 -99.2(7) . .
C25 N20 Co3 N23 82.3(7) . .
C28 N20 Co3 N22 80.6(8) . .
C25 N20 Co3 N22 -98.0(8) . .
C30 N21 Co3 N18 -173.2(7) . .
C32 N21 Co3 N18 -0.9(7) . .
C30 N21 Co3 N20 5.5(7) . .
C32 N21 Co3 N20 177.8(7) . .
C30 N21 Co3 N23 92.6(7) . .
C32 N21 Co3 N23 -95.1(7) . .
C30 N21 Co3 N22 -83.9(7) . .
C32 N21 Co3 N22 88.4(7) . .
C57 C58 F28 C234 140(2) . .
C59 C58 F28 C234 -38(3) . .
C125 N7 Co4 N6 -3.9(5) . .
C122 N7 Co4 N6 -178.2(7) . .
C125 N7 Co4 N8 176.3(5) . .
C122 N7 Co4 N8 2.0(7) . .
C125 N7 Co4 N11 86.0(6) . .
C122 N7 Co4 N11 -88.3(7) . .
C125 N7 Co4 N10 -94.0(6) . .
C122 N7 Co4 N10 91.7(7) . .
C107 N6 Co4 N7 3.7(5) . .
C110 N6 Co4 N7 177.5(7) . .
C107 N6 Co4 N9 -176.1(5) . .
C110 N6 Co4 N9 -2.3(7) . .
C107 N6 Co4 N11 -86.3(5) . .
C110 N6 Co4 N11 87.5(7) . .
C107 N6 Co4 N10 94.9(5) . .
C110 N6 Co4 N10 -91.3(7) . .
C115 N9 Co4 N6 -178.8(6) . .
C112 N9 Co4 N6 1.1(6) . .
C115 N9 Co4 N8 1.0(6) . .
C112 N9 Co4 N8 -179.1(6) . .
C115 N9 Co4 N11 91.3(6) . .
C112 N9 Co4 N11 -88.8(6) . .
C115 N9 Co4 N10 -88.6(6) . .
C112 N9 Co4 N10 91.3(6) . .
C117 N8 Co4 N7 179.2(6) . .
C120 N8 Co4 N7 0.7(6) . .
C117 N8 Co4 N9 -1.0(6) . .
C120 N8 Co4 N9 -179.5(6) . .
C117 N8 Co4 N11 -90.9(6) . .
C120 N8 Co4 N11 90.6(6) . .
C117 N8 Co4 N10 87.9(6) . .
C120 N8 Co4 N10 -90.6(6) . .
C103 N2 Co5 N1 176.4(8) . .
C106 N2 Co5 N1 -0.7(6) . .
C103 N2 Co5 N3 -3.4(7) . .
C106 N2 Co5 N3 179.5(6) . .
C103 N2 Co5 N4 -93.3(7) . .
C106 N2 Co5 N4 89.6(6) . .
C103 N2 Co5 N5 86.1(7) . .
C106 N2 Co5 N5 -91.0(6) . .
C88 N1 Co5 N2 -0.4(7) . .
C91 N1 Co5 N2 -175.1(10) . .
C88 N1 Co5 N31 -179.8(7) . .
C91 N1 Co5 N31 5.5(10) . .
C88 N1 Co5 N4 -89.9(7) . .
C91 N1 Co5 N4 95.4(10) . .
C88 N1 Co5 N5 90.4(7) . .
C91 N1 Co5 N5 -84.3(10) . .
C96 N31 Co5 N1 175.3(7) . .
C93 N31 Co5 N1 -1.9(9) . .
C96 N31 Co5 N3 -4.7(7) . .
C93 N31 Co5 N3 178.1(8) . .
C96 N31 Co5 N4 85.1(7) . .
C93 N31 Co5 N4 -92.1(9) . .
C96 N31 Co5 N5 -94.3(7) . .
C93 N31 Co5 N5 88.5(9) . .
C98 N3 Co5 N2 -179.8(6) . .
C101 N3 Co5 N2 6.0(6) . .
C98 N3 Co5 N31 -0.3(6) . .
C101 N3 Co5 N31 -174.5(6) . .
C98 N3 Co5 N4 -90.2(6) . .
C101 N3 Co5 N4 95.6(6) . .
C98 N3 Co5 N5 89.4(6) . .
C101 N3 Co5 N5 -84.8(6) . .
N31 C93 C92B C204 172.6(12) . .
C94 C93 C92B C204 8(2) . .
N31 C93 C92B C91 -22(2) . .
C94 C93 C92B C91 173.2(12) . .
N1 C91 C92B C93 23(2) . .
C90 C91 C92B C93 -171.6(14) . .
N1 C91 C92B C204 -171.7(12) . .
C90 C91 C92B C204 -6(3) . .
F46 C205 C204 C208 174.9(13) . .
C206 C205 C204 C208 0.0 . .
F46 C205 C204 C92B -14.6(15) . .
C206 C205 C204 C92B 170.6(13) . .
C93 C92B C204 C208 105.5(17) . .
C91 C92B C204 C208 -59.2(18) . .
C93 C92B C204 C205 -65(2) . .
C91 C92B C204 C205 130.1(13) . .
C205 C204 C208 F55 172.7(15) . .
C92B C204 C208 F55 2.0(16) . .
C205 C204 C208 C209 0.0 . .
C92B C204 C208 C209 -170.7(13) . .
F55 C208 C209 F49 4.4(16) . .
C204 C208 C209 F49 177.5(17) . .
F55 C208 C209 C207 -173.1(14) . .
C204 C208 C209 C207 0.0 . .
F49 C209 C207 F48 -1.9(16) . .
C208 C209 C207 F48 175.7(14) . .
F49 C209 C207 C206 -177.6(16) . .
C208 C209 C207 C206 0.0 . .
F48 C207 C206 F47 2.8(15) . .
C209 C207 C206 F47 178.6(13) . .
F48 C207 C206 C205 -175.8(14) . .
C209 C207 C206 C205 0.0 . .
F46 C205 C206 F47 6.4(13) . .
C204 C205 C206 F47 -178.6(13) . .
F46 C205 C206 C207 -175.0(12) . .
C204 C205 C206 C207 0.0 . .
N1 C91 C92A C210 163.1(15) . .
C90 C91 C92A C210 8(4) . .
N1 C91 C92A C93 -38(3) . .
C90 C91 C92A C93 167.3(17) . .
N31 C93 C92A C91 40(3) . .
C94 C93 C92A C91 -158.4(18) . .
N31 C93 C92A C210 -160.4(13) . .
C94 C93 C92A C210 1(3) . .
C91 C92A C210 C211 -115(2) . .
C93 C92A C210 C211 83.8(18) . .
C91 C92A C210 C215 58(3) . .
C93 C92A C210 C215 -103.1(17) . .
C215 C210 C211 F53 179.0(19) . .
C92A C210 C211 F53 -8(2) . .
C215 C210 C211 C212 0.0 . .
C92A C210 C211 C212 173.2(18) . .
F53 C211 C212 F52 -1(2) . .
C210 C211 C212 F52 178.2(19) . .
F53 C211 C212 C213 -179.0(18) . .
C210 C211 C212 C213 0.0 . .
F52 C212 C213 F54 4.4(19) . .
C211 C212 C213 F54 -177.4(19) . .
F52 C212 C213 C214 -178.2(19) . .
C211 C212 C213 C214 0.0 . .
F54 C213 C214 F51 0.9(18) . .
C212 C213 C214 F51 -176.4(18) . .
F54 C213 C214 C215 177.3(19) . .
C212 C213 C214 C215 0.0 . .
F51 C214 C215 F50 -4(2) . .
C213 C214 C215 F50 179.3(17) . .
F51 C214 C215 C210 176.2(19) . .
C213 C214 C215 C210 0.0 . .
C211 C210 C215 F50 -179.3(17) . .
C92A C210 C215 F50 8(2) . .
C211 C210 C215 C214 0.0 . .
C92A C210 C215 C214 -173.1(18) . .
N21 C32 C217 C216 3.0(11) . .
C33 C32 C217 C216 -172.1(9) . .
C32 C217 C216 C30 -1.4(12) . .
N21 C30 C216 C217 -0.7(12) . .
C29 C30 C216 C217 175.4(10) . .
C169 C168 C218 C219 95.8(12) . .
C169 C168 C218 C223 -91.7(12) . .
C223 C218 C219 F59 -175(2) . .
C168 C218 C219 F59 -3(2) . .
C223 C218 C219 C220 0.0 . .
C168 C218 C219 C220 172.2(14) . .
F59 C219 C220 F65 -5.3(19) . .
C218 C219 C220 F65 179(2) . .
F59 C219 C220 C221 175(2) . .
C218 C219 C220 C221 0.0 . .
F65 C220 C221 F57 -2.4(19) . .
C219 C220 C221 F57 177.0(17) . .
F65 C220 C221 C222 -179(2) . .
C219 C220 C221 C222 0.0 . .
F57 C221 C222 F58 0.6(19) . .
C220 C221 C222 F58 177.6(17) . .
F57 C221 C222 C223 -177.0(17) . .
C220 C221 C222 C223 0.0 . .
F58 C222 C223 F56 1.8(17) . .
C221 C222 C223 F56 179.4(17) . .
F58 C222 C223 C218 -177.6(17) . .
C221 C222 C223 C218 0.0 . .
C219 C218 C223 F56 -179.4(18) . .
C168 C218 C223 F56 7.9(17) . .
C219 C218 C223 C222 0.0 . .
C168 C218 C223 C222 -172.8(13) . .
C169 C168 C224 C225 79.4(14) . .
C169 C168 C224 C229 -100.1(15) . .
C168 C224 C225 F62 -2.0(14) . .
C229 C224 C225 F62 177.5(15) . .
C168 C224 C225 C226 -179.5(13) . .
C229 C224 C225 C226 0.0 . .
F62 C225 C226 F60 1.5(16) . .
C224 C225 C226 F60 179.0(16) . .
F62 C225 C226 C227 -177.5(15) . .
C224 C225 C226 C227 0.0 . .
F60 C226 C227 F61 0.2(16) . .
C225 C226 C227 F61 179.1(14) . .
F60 C226 C227 C228 -179.0(15) . .
C225 C226 C227 C228 0.0 . .
F61 C227 C228 F63 -4.6(17) . .
C226 C227 C228 F63 174.5(16) . .
F61 C227 C228 C229 -179.1(15) . .
C226 C227 C228 C229 0.0 . .
F63 C228 C229 F64 3.1(16) . .
C227 C228 C229 F64 177.5(15) . .
F63 C228 C229 C224 -174.4(16) . .
C227 C228 C229 C224 0.0 . .
C168 C224 C229 F64 2.1(17) . .
C225 C224 C229 F64 -177.4(16) . .
C168 C224 C229 C228 179.5(14) . .
C225 C224 C229 C228 0.0 . .
C233 C232 C231 C230 -174(2) . .
C231 C232 C233 C234 -152(2) . .
C232 C233 C234 F28 -42(10) . .
C58 F28 C234 C233 91(10) . .
C235 C236 C237 C238 179(4) . .
C236 C237 C238 C239 164(4) . .
C250 C251 C252 C253 -163(4) . .
C251 C252 C253 C254 169(4) . .
C248 C247 C246 C245 -28(23) . .
C246 C247 C248 C249 -9(22) . .
C34 C33 C255 C256 118.6(14) . .
C32 C33 C255 C256 -81.6(15) . .
C34 C33 C255 C260 -58.6(17) . .
C32 C33 C255 C260 101.2(12) . .
C260 C255 C256 F68 -178.8(19) . .
C33 C255 C256 F68 4.1(19) . .
C260 C255 C256 C257 0.0 . .
C33 C255 C256 C257 -177.1(18) . .
F68 C256 C257 F67 5(2) . .
C255 C256 C257 F67 -174(2) . .
F68 C256 C257 C258 178.8(18) . .
C255 C256 C257 C258 0.0 . .
F67 C257 C258 F66 0(2) . .
C256 C257 C258 F66 -174(2) . .
F67 C257 C258 C259 174(2) . .
C256 C257 C258 C259 0.0 . .
F66 C258 C259 F69 -4(2) . .
C257 C258 C259 F69 -178.8(19) . .
F66 C258 C259 C260 174.5(19) . .
C257 C258 C259 C260 0.0 . .
F69 C259 C260 F70 -18(3) . .
C258 C259 C260 F70 163(2) . .
F69 C259 C260 C255 179(2) . .
C258 C259 C260 C255 0.0 . .
C256 C255 C260 F70 -161(3) . .
C33 C255 C260 F70 16(2) . .
C256 C255 C260 C259 0.0 . .
C33 C255 C260 C259 177.2(18) . .
C268 C264 C265 C266 1(2) . .
N25 C182 C266 N33 2(3) . .
C181 C182 C266 N33 -177(3) . .
N25 C182 C266 C265 -179(3) . .
C181 C182 C266 C265 2(5) . .
C264 C265 C266 N33 -2(3) . .
C264 C265 C266 C182 179(3) . .
C267 C263 C262 C261 2(2) . .
N24 C164 C261 N32 -3(3) . .
C165 C164 C261 N32 -179(3) . .
N24 C164 C261 C262 179(3) . .
C165 C164 C261 C262 3(6) . .
C263 C262 C261 C164 178(3) . .
C263 C262 C261 N32 0(2) . .
C177 C178 C267 N32 -9(3) . .
C188 C178 C267 N32 175.7(17) . .
C177 C178 C267 C263 -178(2) . .
C188 C178 C267 C263 7(3) . .
C262 C263 C267 C178 167(3) . .
C262 C263 C267 N32 -3(2) . .
C169 C168 C268 N33 8(3) . .
C169 C168 C268 C264 178(2) . .
C265 C264 C268 C168 -170(3) . .
C265 C264 C268 N33 0(2) . .
C164 C261 N32 C267 179(2) . .
C262 C261 N32 C267 -2(2) . .
C164 C261 N32 Co1 4(3) . .
C262 C261 N32 Co1 -177.5(15) . .
C178 C267 N32 C261 -169(2) . .
C263 C267 N32 C261 3(2) . .
C178 C267 N32 Co1 6(3) . .
C263 C267 N32 Co1 177.5(19) . .
C182 C266 N33 C268 -178(2) . .
C265 C266 N33 C268 3(3) . .
C182 C266 N33 Co1 -1(3) . .
C265 C266 N33 Co1 -179.9(17) . .
C168 C268 N33 C266 171(2) . .
C264 C268 N33 C266 -2(3) . .
C168 C268 N33 Co1 -6(4) . .
C264 C268 N33 Co1 -179(2) . .
C23 C24 C76 C77 58.5(11) . .
C25 C24 C76 C77 -121.1(9) . .
C23 C24 C76 C81 -115.9(9) . .
C25 C24 C76 C81 64.6(10) . .
C81 C76 C77 F10 -177.5(9) . .
C24 C76 C77 F10 8.2(10) . .
C81 C76 C77 C78 0.0 . .
C24 C76 C77 C78 -174.3(8) . .
F10 C77 C78 F9 -4.7(9) . .
C76 C77 C78 F9 177.7(8) . .
F10 C77 C78 C79 177.6(9) . .
C76 C77 C78 C79 0.0 . .
F9 C78 C79 F8 3.0(9) . .
C77 C78 C79 F8 -179.2(8) . .
F9 C78 C79 C80 -177.8(8) . .
C77 C78 C79 C80 0.0 . .
F8 C79 C80 F7 -0.5(10) . .
C78 C79 C80 F7 -179.7(10) . .
F8 C79 C80 C81 179.2(8) . .
C78 C79 C80 C81 0.0 . .
F7 C80 C81 F6 -4.8(11) . .
C79 C80 C81 F6 175.6(10) . .
F7 C80 C81 C76 179.7(10) . .
C79 C80 C81 C76 0.0 . .
C77 C76 C81 F6 -175.4(10) . .
C24 C76 C81 F6 -1.0(10) . .
C77 C76 C81 C80 0.0 . .
C24 C76 C81 C80 174.4(8) . .
C281 C282 C283 C284 -41(33) . .
C283 C282 C281 C280 -137(18) . .
