#------------------------------------------------------------------------------
#$Date: 2016-03-25 08:53:21 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179710 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/13/7001308.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_7001308
loop_
_publ_author_name
'Fenton, Hazel'
'Tidmarsh, Ian S.'
'Ward, Michael D.'
_publ_section_title
;
 Homonuclear and heteronuclear complexes of a four-armed octadentate
 ligand: synthetic control based on matching ligand denticity with
 metal ion coordination preferences
;
_journal_issue                   21
_journal_name_full               'Dalton Transactions'
_journal_page_first              4199
_journal_page_last               4207
_journal_paper_doi               10.1039/b901891c
_journal_year                    2009
_chemical_formula_sum            'C168 H136 B10 Co6 F42 N48'
_chemical_formula_weight         4086.93
_chemical_name_systematic
;
?
;
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   29.8251(6)
_cell_length_b                   50.3863(10)
_cell_length_c                   26.4444(6)
_cell_measurement_reflns_used    9868
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      2.21
_cell_volume                     39740.0(14)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0884
_diffrn_reflns_av_sigmaI/netI    0.0386
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       54
_diffrn_reflns_limit_k_min       -54
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            336084
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         2.21
_exptl_absorpt_coefficient_mu    0.589
_exptl_absorpt_correction_T_max  0.8416
_exptl_absorpt_correction_T_min  0.7551
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.366
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             16560
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         2.345
_refine_diff_density_min         -1.147
_refine_diff_density_rms         0.157
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.956
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2347
_refine_ls_number_reflns         25964
_refine_ls_number_restraints     2574
_refine_ls_restrained_S_all      1.909
_refine_ls_R_factor_all          0.1797
_refine_ls_R_factor_gt           0.1603
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4478
_refine_ls_wR_factor_ref         0.4590
_reflns_number_gt                20202
_reflns_number_total             25964
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b901891c.txt
_cod_data_source_block           imw1224pccn
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-Scan' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'Pccn '
_cod_database_code               7001308
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-x, y+1/2, -z+1/2'
'x+1/2, -y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z-1/2'
'-x-1/2, y, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.43438(6) 0.16575(3) 0.50399(6) 0.0667(5) Uani 1 1 d . . .
Co2 Co 0.36508(5) 0.01605(3) 0.64685(5) 0.0552(5) Uani 1 1 d . . .
Co3 Co 0.57819(5) 0.09162(3) 0.84103(5) 0.0503(4) Uani 1 1 d . . .
Co4 Co 0.50600(6) 0.06592(4) 0.91245(6) 0.0676(5) Uani 1 1 d . . .
Co5 Co 0.67771(5) 0.16419(3) 1.13154(7) 0.0631(5) Uani 1 1 d . . .
Co6 Co 0.39354(5) 0.19789(4) 1.19500(6) 0.0608(5) Uani 1 1 d D . .
F1 F 0.52765(19) 0.06383(11) 0.8396(2) 0.0503(14) Uani 1 1 d . . .
F2 F 0.5659(2) 0.08560(15) 0.9165(2) 0.072(2) Uani 1 1 d . . .
N111 N 0.3979(3) 0.2019(2) 0.4881(4) 0.071(3) Uani 1 1 d U . .
C112 C 0.3786(5) 0.2030(3) 0.4450(5) 0.075(3) Uani 1 1 d U . .
C113 C 0.3532(5) 0.2238(3) 0.4255(6) 0.093(4) Uani 1 1 d U . .
H113 H 0.3386 0.2232 0.3936 0.112 Uiso 1 1 calc R . .
C114 C 0.3515(5) 0.2467(3) 0.4597(6) 0.094(4) Uani 1 1 d U . .
H114 H 0.3349 0.2621 0.4510 0.113 Uiso 1 1 calc R . .
C115 C 0.3734(5) 0.2454(3) 0.5026(6) 0.087(3) Uani 1 1 d U . .
H115 H 0.3741 0.2609 0.5232 0.105 Uiso 1 1 calc R . .
C116 C 0.3948(4) 0.2237(3) 0.5193(6) 0.075(3) Uani 1 1 d U . .
H116 H 0.4076 0.2234 0.5522 0.091 Uiso 1 1 calc R . .
N121 N 0.3889(4) 0.1349(2) 0.4104(4) 0.075(3) Uani 1 1 d U . .
N122 N 0.3982(4) 0.1571(2) 0.4366(4) 0.068(2) Uani 1 1 d U . .
C123 C 0.3801(5) 0.1776(3) 0.4156(5) 0.074(3) Uani 1 1 d U . .
C124 C 0.3558(5) 0.1683(3) 0.3720(5) 0.090(4) Uani 1 1 d U . .
H124 H 0.3380 0.1786 0.3495 0.108 Uiso 1 1 calc R . .
C125 C 0.3634(5) 0.1425(3) 0.3697(5) 0.086(3) Uani 1 1 d U . .
H125 H 0.3529 0.1310 0.3439 0.103 Uiso 1 1 calc R . .
C126 C 0.3997(4) 0.1088(3) 0.4285(4) 0.070(3) Uani 1 1 d U . .
H12A H 0.4290 0.1100 0.4459 0.084 Uiso 1 1 calc R . .
H12B H 0.4042 0.0974 0.3984 0.084 Uiso 1 1 calc R . .
N131 N 0.4527(4) 0.1746(2) 0.5801(4) 0.069(2) Uani 1 1 d U . .
C132 C 0.4222(5) 0.1699(3) 0.6145(5) 0.078(3) Uani 1 1 d U . .
C133 C 0.4319(6) 0.1725(3) 0.6658(5) 0.090(4) Uani 1 1 d U . .
H133 H 0.4098 0.1688 0.6907 0.109 Uiso 1 1 calc R . .
C134 C 0.4759(6) 0.1809(3) 0.6800(6) 0.092(4) Uani 1 1 d U . .
H134 H 0.4833 0.1840 0.7144 0.111 Uiso 1 1 calc R . .
C135 C 0.5063(6) 0.1843(3) 0.6430(6) 0.087(3) Uani 1 1 d U . .
H135 H 0.5363 0.1892 0.6511 0.104 Uiso 1 1 calc R . .
C136 C 0.4941(5) 0.1808(2) 0.5948(5) 0.076(3) Uani 1 1 d U . .
H136 H 0.5163 0.1828 0.5694 0.091 Uiso 1 1 calc R . .
N141 N 0.3343(4) 0.1461(2) 0.5407(4) 0.070(2) Uani 1 1 d U . .
N142 N 0.3776(4) 0.1528(2) 0.5488(4) 0.071(2) Uani 1 1 d U . .
C143 C 0.3774(5) 0.1606(3) 0.5969(5) 0.079(3) Uani 1 1 d U . .
C144 C 0.3357(6) 0.1583(3) 0.6186(6) 0.090(3) Uani 1 1 d U . .
H144 H 0.3272 0.1627 0.6522 0.108 Uiso 1 1 calc R . .
C145 C 0.3106(5) 0.1486(3) 0.5833(5) 0.086(3) Uani 1 1 d U . .
H145 H 0.2799 0.1439 0.5870 0.103 Uiso 1 1 calc R . .
C146 C 0.3179(5) 0.1333(3) 0.4952(5) 0.069(3) Uani 1 1 d U . .
H14A H 0.3289 0.1434 0.4655 0.083 Uiso 1 1 calc R . .
H14B H 0.2848 0.1343 0.4950 0.083 Uiso 1 1 calc R . .
N151 N 0.3774(3) -0.02578(19) 0.6362(4) 0.065(2) Uani 1 1 d U . .
C152 C 0.3468(4) -0.0375(2) 0.6069(5) 0.064(3) Uani 1 1 d U . .
C153 C 0.3484(5) -0.0650(3) 0.5990(6) 0.082(3) Uani 1 1 d U . .
H153 H 0.3275 -0.0734 0.5772 0.098 Uiso 1 1 calc R . .
C154 C 0.3817(5) -0.0799(3) 0.6243(6) 0.087(3) Uani 1 1 d U . .
H154 H 0.3825 -0.0987 0.6213 0.105 Uiso 1 1 calc R . .
C155 C 0.4131(5) -0.0668(3) 0.6534(6) 0.087(4) Uani 1 1 d U . .
H155 H 0.4364 -0.0763 0.6698 0.104 Uiso 1 1 calc R . .
C156 C 0.4099(5) -0.0391(3) 0.6584(6) 0.084(3) Uani 1 1 d U . .
H156 H 0.4316 -0.0299 0.6781 0.101 Uiso 1 1 calc R . .
N161 N 0.2852(3) 0.01874(19) 0.5625(3) 0.056(2) Uani 1 1 d U . .
N162 N 0.3149(3) 0.0049(2) 0.5952(3) 0.057(2) Uani 1 1 d U . .
C163 C 0.3140(4) -0.0204(3) 0.5841(4) 0.060(2) Uani 1 1 d U . .
C164 C 0.2819(4) -0.0243(2) 0.5436(4) 0.058(3) Uani 1 1 d U . .
H164 H 0.2741 -0.0408 0.5285 0.070 Uiso 1 1 calc R . .
C165 C 0.2651(3) -0.0004(2) 0.5314(4) 0.057(3) Uani 1 1 d U . .
H165 H 0.2434 0.0029 0.5060 0.069 Uiso 1 1 calc R . .
C166 C 0.2824(3) 0.0460(2) 0.5603(4) 0.050(2) Uani 1 1 d U . .
H16A H 0.2865 0.0530 0.5950 0.060 Uiso 1 1 calc R . .
H16B H 0.2517 0.0508 0.5494 0.060 Uiso 1 1 calc R . .
N171 N 0.4269(3) 0.02438(17) 0.6833(3) 0.048(2) Uani 1 1 d U . .
C172 C 0.4623(3) 0.0286(2) 0.6544(4) 0.046(2) Uani 1 1 d U . .
C173 C 0.5034(4) 0.0341(2) 0.6733(4) 0.050(2) Uani 1 1 d U . .
H173 H 0.5280 0.0365 0.6509 0.060 Uiso 1 1 calc R . .
C174 C 0.5101(4) 0.0364(2) 0.7255(4) 0.053(2) Uani 1 1 d U . .
H174 H 0.5384 0.0406 0.7397 0.064 Uiso 1 1 calc R . .
C175 C 0.4719(4) 0.03209(18) 0.7554(4) 0.047(2) Uani 1 1 d U . .
H175 H 0.4743 0.0334 0.7911 0.056 Uiso 1 1 calc R . .
C176 C 0.4332(4) 0.0262(2) 0.7351(4) 0.054(2) Uani 1 1 d U . .
H176 H 0.4083 0.0232 0.7567 0.065 Uiso 1 1 calc R . .
N181 N 0.4121(3) 0.02270(18) 0.5345(3) 0.052(2) Uani 1 1 d U . .
N182 N 0.4103(3) 0.02481(17) 0.5847(3) 0.0460(19) Uani 1 1 d U . .
C183 C 0.4528(3) 0.0264(2) 0.5999(4) 0.050(2) Uani 1 1 d U . .
C184 C 0.4826(4) 0.0256(3) 0.5596(5) 0.062(3) Uani 1 1 d U . .
H184 H 0.5144 0.0266 0.5606 0.074 Uiso 1 1 calc R . .
C185 C 0.4546(4) 0.0232(3) 0.5171(5) 0.069(3) Uani 1 1 d U . .
H185 H 0.4638 0.0221 0.4827 0.083 Uiso 1 1 calc R . .
C186 C 0.3716(3) 0.0230(2) 0.5032(4) 0.050(2) Uani 1 1 d U . .
H18A H 0.3491 0.0107 0.5177 0.060 Uiso 1 1 calc R . .
H18B H 0.3791 0.0167 0.4687 0.060 Uiso 1 1 calc R . .
C191 C 0.3688(4) 0.0944(3) 0.4629(4) 0.058(2) Uani 1 1 d U . .
C192 C 0.3313(4) 0.1053(3) 0.4892(4) 0.061(2) Uani 1 1 d U . .
C193 C 0.3072(4) 0.0879(2) 0.5200(4) 0.057(2) Uani 1 1 d U . .
H193 H 0.2831 0.0950 0.5391 0.068 Uiso 1 1 calc R . .
C194 C 0.3162(4) 0.0607(2) 0.5249(4) 0.053(2) Uani 1 1 d U . .
C195 C 0.3523(3) 0.0500(2) 0.5001(4) 0.052(2) Uani 1 1 d U . .
C196 C 0.3780(4) 0.0669(2) 0.4683(4) 0.055(2) Uani 1 1 d U . .
H196 H 0.4024 0.0594 0.4499 0.066 Uiso 1 1 calc R . .
N211 N 0.4927(4) 0.1806(2) 0.4655(4) 0.074(3) Uani 1 1 d U . .
C212 C 0.5272(5) 0.1624(3) 0.4601(5) 0.079(3) Uani 1 1 d U . .
C213 C 0.5682(5) 0.1700(3) 0.4360(5) 0.084(3) Uani 1 1 d U . .
H213 H 0.5931 0.1583 0.4343 0.100 Uiso 1 1 calc R . .
C214 C 0.5699(5) 0.1944(3) 0.4161(6) 0.087(3) Uani 1 1 d U . .
H214 H 0.5959 0.1994 0.3977 0.105 Uiso 1 1 calc R . .
C215 C 0.5361(5) 0.2123(3) 0.4211(6) 0.087(3) Uani 1 1 d U . .
H215 H 0.5393 0.2292 0.4059 0.105 Uiso 1 1 calc R . .
C216 C 0.4970(5) 0.2066(3) 0.4476(5) 0.079(3) Uani 1 1 d U . .
H216 H 0.4745 0.2196 0.4532 0.095 Uiso 1 1 calc R . .
N221 N 0.4852(4) 0.1074(2) 0.5254(3) 0.061(2) Uani 1 1 d U . .
N222 N 0.4820(4) 0.1329(2) 0.5066(4) 0.069(2) Uani 1 1 d U . .
C223 C 0.5206(5) 0.1374(3) 0.4807(5) 0.073(3) Uani 1 1 d U . .
C224 C 0.5472(5) 0.1156(3) 0.4828(5) 0.074(3) Uani 1 1 d U . .
H224 H 0.5759 0.1132 0.4679 0.089 Uiso 1 1 calc R . .
C225 C 0.5223(5) 0.0968(3) 0.5127(4) 0.072(3) Uani 1 1 d U . .
H225 H 0.5319 0.0794 0.5215 0.087 Uiso 1 1 calc R . .
C226 C 0.4499(4) 0.0976(3) 0.5587(4) 0.063(3) Uani 1 1 d U . .
H22A H 0.4448 0.0786 0.5509 0.076 Uiso 1 1 calc R . .
H22B H 0.4219 0.1072 0.5507 0.076 Uiso 1 1 calc R . .
N231 N 0.3243(3) 0.0061(2) 0.7111(3) 0.093(3) Uani 1 1 d GU . .
C232 C 0.2977(3) 0.02696(17) 0.7278(3) 0.098(3) Uani 1 1 d GU . .
C233 C 0.2648(3) 0.0225(2) 0.7641(4) 0.116(4) Uani 1 1 d GU . .
H233 H 0.2467 0.0368 0.7755 0.140 Uiso 1 1 calc R . .
C234 C 0.2586(3) -0.0028(2) 0.7837(3) 0.127(5) Uani 1 1 d GU . .
H234 H 0.2361 -0.0059 0.8085 0.152 Uiso 1 1 calc R . .
C235 C 0.2852(4) -0.02371(19) 0.7669(4) 0.126(5) Uani 1 1 d GU . .
H235 H 0.2809 -0.0410 0.7803 0.152 Uiso 1 1 calc R . .
C236 C 0.3180(3) -0.01926(18) 0.7306(3) 0.107(4) Uani 1 1 d GU . .
H236 H 0.3362 -0.0335 0.7192 0.129 Uiso 1 1 calc R . .
N241 N 0.3438(3) 0.0798(2) 0.6610(4) 0.067(2) Uani 1 1 d U . .
N242 N 0.3399(3) 0.0537(2) 0.6708(3) 0.061(2) Uani 1 1 d U . .
C243 C 0.3087(4) 0.0501(3) 0.7077(5) 0.081(3) Uani 1 1 d U . .
C244 C 0.2944(4) 0.0774(3) 0.7183(6) 0.087(3) Uani 1 1 d U . .
H244 H 0.2724 0.0825 0.7425 0.104 Uiso 1 1 calc R . .
C245 C 0.3169(4) 0.0935(4) 0.6888(6) 0.083(3) Uani 1 1 d U . .
H245 H 0.3138 0.1123 0.6880 0.100 Uiso 1 1 calc R . .
C246 C 0.3770(4) 0.0883(3) 0.6248(5) 0.063(3) Uani 1 1 d U . .
H24A H 0.3656 0.1043 0.6071 0.075 Uiso 1 1 calc R . .
H24B H 0.3810 0.0742 0.5993 0.075 Uiso 1 1 calc R . .
N251 N 0.6150(3) 0.1274(2) 0.8620(4) 0.062(2) Uani 1 1 d U . .
C252 C 0.5928(4) 0.1492(3) 0.8601(5) 0.061(3) Uani 1 1 d U . .
C253 C 0.6093(5) 0.1751(3) 0.8760(6) 0.084(3) Uani 1 1 d U . .
H253 H 0.5919 0.1909 0.8741 0.101 Uiso 1 1 calc R . .
C254 C 0.6525(5) 0.1745(4) 0.8939(7) 0.102(4) Uani 1 1 d U . .
H254 H 0.6667 0.1908 0.9025 0.123 Uiso 1 1 calc R . .
C255 C 0.6750(5) 0.1524(4) 0.8996(7) 0.103(4) Uani 1 1 d U . .
H255 H 0.7038 0.1527 0.9151 0.123 Uiso 1 1 calc R . .
C256 C 0.6562(4) 0.1274(3) 0.8823(6) 0.086(3) Uani 1 1 d U . .
H256 H 0.6727 0.1113 0.8853 0.103 Uiso 1 1 calc R . .
N261 N 0.4947(3) 0.12607(17) 0.8001(3) 0.0444(18) Uani 1 1 d U . .
N262 N 0.5359(3) 0.12330(18) 0.8220(3) 0.0472(19) Uani 1 1 d U . .
C263 C 0.5482(4) 0.1470(2) 0.8348(4) 0.052(2) Uani 1 1 d U . .
C264 C 0.5162(4) 0.1659(2) 0.8222(4) 0.058(3) Uani 1 1 d U . .
H264 H 0.5173 0.1845 0.8285 0.070 Uiso 1 1 calc R . .
C265 C 0.4833(4) 0.1523(2) 0.7993(4) 0.050(2) Uani 1 1 d U . .
H265 H 0.4568 0.1597 0.7851 0.060 Uiso 1 1 calc R . .
C266 C 0.4737(3) 0.1035(2) 0.7764(4) 0.046(2) Uani 1 1 d U . .
H26A H 0.4428 0.1020 0.7897 0.056 Uiso 1 1 calc R . .
H26B H 0.4901 0.0874 0.7871 0.056 Uiso 1 1 calc R . .
N271 N 0.6306(2) 0.06302(14) 0.8438(3) 0.073(3) Uani 1 1 d GU . .
C272 C 0.6415(3) 0.05078(17) 0.7983(3) 0.071(3) Uani 1 1 d GU . .
C273 C 0.6700(3) 0.02896(19) 0.7980(3) 0.097(4) Uani 1 1 d GU . .
H273 H 0.6775 0.0206 0.7669 0.116 Uiso 1 1 calc R . .
C274 C 0.6876(3) 0.01937(17) 0.8431(4) 0.110(4) Uani 1 1 d GU . .
H274 H 0.7071 0.0045 0.8429 0.132 Uiso 1 1 calc R . .
C275 C 0.6766(3) 0.0316(2) 0.8886(3) 0.109(4) Uani 1 1 d GU . .
H275 H 0.6886 0.0251 0.9194 0.130 Uiso 1 1 calc R . .
C276 C 0.6481(3) 0.05344(19) 0.8889(3) 0.092(4) Uani 1 1 d GU . .
H276 H 0.6407 0.0618 0.9200 0.110 Uiso 1 1 calc R . .
N281 N 0.5817(3) 0.09123(18) 0.7154(3) 0.052(2) Uani 1 1 d U . .
N282 N 0.5949(3) 0.08403(18) 0.7617(3) 0.052(2) Uani 1 1 d U . .
C283 C 0.6205(3) 0.0641(2) 0.7561(5) 0.059(2) Uani 1 1 d U . .
C284 C 0.6245(4) 0.0576(3) 0.7048(5) 0.066(3) Uani 1 1 d U . .
H284 H 0.6412 0.0435 0.6905 0.080 Uiso 1 1 calc R . .
C285 C 0.6004(4) 0.0753(2) 0.6807(5) 0.059(3) Uani 1 1 d U . .
H285 H 0.5968 0.0766 0.6451 0.071 Uiso 1 1 calc R . .
C286 C 0.5534(3) 0.1155(2) 0.7048(4) 0.049(2) Uani 1 1 d U . .
H28A H 0.5510 0.1262 0.7361 0.059 Uiso 1 1 calc R . .
H28B H 0.5687 0.1265 0.6790 0.059 Uiso 1 1 calc R . .
C291 C 0.4585(4) 0.1001(2) 0.6131(4) 0.050(2) Uani 1 1 d U . .
C292 C 0.4219(4) 0.0948(2) 0.6477(4) 0.050(2) Uani 1 1 d U . .
C293 C 0.4285(3) 0.0966(2) 0.6976(4) 0.046(2) Uani 1 1 d U . .
H293 H 0.4038 0.0931 0.7192 0.055 Uiso 1 1 calc R . .
C294 C 0.4714(3) 0.1035(2) 0.7210(4) 0.046(2) Uani 1 1 d U . .
C295 C 0.5072(3) 0.1088(2) 0.6864(4) 0.046(2) Uani 1 1 d U . .
C296 C 0.4996(4) 0.1078(2) 0.6352(4) 0.050(2) Uani 1 1 d U . .
H296 H 0.5235 0.1125 0.6132 0.060 Uiso 1 1 calc R . .
N311 N 0.7326(3) 0.1418(2) 1.1655(5) 0.075(3) Uani 1 1 d U . .
C312 C 0.7555(4) 0.1554(3) 1.2011(6) 0.086(3) Uani 1 1 d U . .
C313 C 0.7925(4) 0.1429(3) 1.2209(7) 0.098(4) Uani 1 1 d U . .
H313 H 0.8093 0.1521 1.2459 0.118 Uiso 1 1 calc R . .
C314 C 0.8063(5) 0.1189(3) 1.2076(7) 0.099(4) Uani 1 1 d U . .
H314 H 0.8325 0.1111 1.2216 0.118 Uiso 1 1 calc R . .
C315 C 0.7796(5) 0.1055(3) 1.1714(6) 0.086(3) Uani 1 1 d U . .
H315 H 0.7880 0.0881 1.1610 0.104 Uiso 1 1 calc R . .
C316 C 0.7450(4) 0.1160(3) 1.1525(6) 0.083(3) Uani 1 1 d U . .
H316 H 0.7273 0.1063 1.1291 0.100 Uiso 1 1 calc R . .
N321 N 0.6902(3) 0.2123(2) 1.2109(5) 0.076(3) Uani 1 1 d U . .
N322 N 0.7020(3) 0.18976(19) 1.1899(5) 0.071(3) Uani 1 1 d U . .
C323 C 0.7384(4) 0.1806(3) 1.2115(6) 0.086(3) Uani 1 1 d U . .
C324 C 0.7486(4) 0.1999(3) 1.2524(7) 0.092(4) Uani 1 1 d U . .
H324 H 0.7732 0.1991 1.2752 0.110 Uiso 1 1 calc R . .
C325 C 0.7186(4) 0.2176(3) 1.2514(6) 0.083(3) Uani 1 1 d U . .
H325 H 0.7159 0.2320 1.2743 0.099 Uiso 1 1 calc R . .
C326 C 0.6490(4) 0.2259(2) 1.1978(5) 0.066(3) Uani 1 1 d U . .
H32A H 0.6453 0.2251 1.1606 0.080 Uiso 1 1 calc R . .
H32B H 0.6524 0.2449 1.2070 0.080 Uiso 1 1 calc R . .
N331 N 0.6474(3) 0.1319(2) 1.0907(4) 0.069(2) Uani 1 1 d U . .
C332 C 0.6186(4) 0.1168(2) 1.1169(5) 0.071(3) Uani 1 1 d U . .
C333 C 0.5937(5) 0.0982(3) 1.0956(6) 0.085(3) Uani 1 1 d U . .
H333 H 0.5738 0.0875 1.1150 0.102 Uiso 1 1 calc R . .
C334 C 0.5978(5) 0.0947(3) 1.0422(6) 0.089(4) Uani 1 1 d U . .
H334 H 0.5794 0.0822 1.0252 0.107 Uiso 1 1 calc R . .
C335 C 0.6272(5) 0.1090(3) 1.0165(6) 0.082(3) Uani 1 1 d U . .
H335 H 0.6314 0.1055 0.9815 0.099 Uiso 1 1 calc R . .
C336 C 0.6522(5) 0.1291(3) 1.0398(6) 0.078(3) Uani 1 1 d U . .
H336 H 0.6716 0.1403 1.0209 0.094 Uiso 1 1 calc R . .
N341 N 0.6233(3) 0.14839(19) 1.2362(4) 0.061(2) Uani 1 1 d U . .
N342 N 0.6309(3) 0.14807(18) 1.1854(4) 0.059(2) Uani 1 1 d U . .
C343 C 0.6143(4) 0.1237(2) 1.1694(5) 0.060(2) Uani 1 1 d U . .
C344 C 0.5974(4) 0.1103(2) 1.2124(5) 0.068(3) Uani 1 1 d U . .
H344 H 0.5846 0.0930 1.2134 0.082 Uiso 1 1 calc R . .
C345 C 0.6031(4) 0.1263(2) 1.2503(5) 0.068(3) Uani 1 1 d U . .
H345 H 0.5938 0.1226 1.2839 0.082 Uiso 1 1 calc R . .
C346 C 0.6323(3) 0.1724(2) 1.2664(5) 0.055(2) Uani 1 1 d U . .
H34A H 0.6629 0.1789 1.2593 0.066 Uiso 1 1 calc R . .
H34B H 0.6304 0.1680 1.3029 0.066 Uiso 1 1 calc R . .
N351 N 0.3547(3) 0.2330(2) 1.1866(4) 0.064(2) Uani 1 1 d U A .
C352 C 0.3568(4) 0.2510(3) 1.2254(5) 0.070(3) Uani 1 1 d U . .
C353 C 0.3326(4) 0.2745(3) 1.2278(5) 0.074(3) Uani 1 1 d U A .
H353 H 0.3345 0.2863 1.2558 0.089 Uiso 1 1 calc R . .
C354 C 0.3052(4) 0.2795(3) 1.1858(5) 0.077(3) Uani 1 1 d U . .
H354 H 0.2869 0.2949 1.1851 0.093 Uiso 1 1 calc R A .
C355 C 0.3047(4) 0.2623(3) 1.1457(5) 0.074(3) Uani 1 1 d U A .
H355 H 0.2883 0.2665 1.1160 0.089 Uiso 1 1 calc R . .
C356 C 0.3273(4) 0.2399(3) 1.1488(5) 0.073(3) Uani 1 1 d U . .
H356 H 0.3238 0.2275 1.1219 0.088 Uiso 1 1 calc R A .
N361 N 0.4418(3) 0.21949(19) 1.2970(3) 0.055(2) Uani 1 1 d U . .
N362 N 0.4104(3) 0.2196(2) 1.2601(4) 0.062(2) Uani 1 1 d U A .
C363 C 0.3889(4) 0.2430(3) 1.2657(5) 0.063(3) Uani 1 1 d U A .
C364 C 0.4061(4) 0.2567(3) 1.3072(5) 0.066(3) Uani 1 1 d U . .
H364 H 0.3960 0.2730 1.3209 0.079 Uiso 1 1 calc R A .
C365 C 0.4398(4) 0.2417(2) 1.3233(5) 0.065(3) Uani 1 1 d U A .
H365 H 0.4596 0.2463 1.3501 0.077 Uiso 1 1 calc R . .
C366 C 0.4782(3) 0.1990(2) 1.2936(4) 0.055(2) Uani 1 1 d U A .
H36A H 0.4656 0.1830 1.2772 0.065 Uiso 1 1 calc R . .
H36B H 0.4869 0.1940 1.3284 0.065 Uiso 1 1 calc R . .
N1X N 0.3851(6) 0.1909(5) 1.1155(3) 0.059(6) Uiso 0.358(15) 1 d PGDU A 1
C2X C 0.4132(6) 0.2026(5) 1.0799(5) 0.059(5) Uiso 0.358(15) 1 d PGDU A 1
C3X C 0.4090(6) 0.1960(5) 1.0290(5) 0.063(6) Uiso 0.358(15) 1 d PGU A 1
H3X H 0.4281 0.2040 1.0047 0.076 Uiso 0.358(15) 1 calc PR A 1
C4X C 0.3767(7) 0.1778(5) 1.0138(3) 0.067(6) Uiso 0.358(15) 1 d PGU A 1
H4X H 0.3738 0.1733 0.9791 0.080 Uiso 0.358(15) 1 calc PR A 1
C5X C 0.3486(6) 0.1661(5) 1.0494(6) 0.065(6) Uiso 0.358(15) 1 d PGU A 1
H5X H 0.3266 0.1536 1.0390 0.078 Uiso 0.358(15) 1 calc PR A 1
C6X C 0.3528(6) 0.1727(5) 1.1002(5) 0.047(5) Uiso 0.358(15) 1 d PGU A 1
H6X H 0.3336 0.1647 1.1246 0.056 Uiso 0.358(15) 1 calc PR A 1
N7X N 0.4706(4) 0.2430(3) 1.1695(5) 0.077(5) Uiso 0.358(15) 1 d PGDU A 1
N8X N 0.4423(6) 0.2212(5) 1.1577(7) 0.063(6) Uiso 0.358(15) 1 d PGDU A 1
C9X C 0.4458(7) 0.2162(5) 1.1050(7) 0.057(5) Uiso 0.358(15) 1 d PGDU A 1
C10X C 0.4762(9) 0.2349(5) 1.0842(5) 0.060(6) Uiso 0.358(15) 1 d PGU A 1
H10X H 0.4848 0.2362 1.0497 0.071 Uiso 0.358(15) 1 calc PR A 1
C11X C 0.4916(7) 0.2515(4) 1.1241(8) 0.066(6) Uiso 0.358(15) 1 d PGU A 1
H11X H 0.5122 0.2657 1.1210 0.079 Uiso 0.358(15) 1 calc PR A 1
C12X C 0.4933(15) 0.2524(9) 1.2162(10) 0.065(6) Uiso 0.358(15) 1 d PDU A 1
H12C H 0.4712 0.2560 1.2433 0.078 Uiso 0.358(15) 1 calc PR A 1
H12D H 0.5107 0.2687 1.2096 0.078 Uiso 0.358(15) 1 calc PR A 1
N1Y N 0.3821(4) 0.1801(2) 1.1224(3) 0.054(4) Uiso 0.642(15) 1 d PGDU A 2
C2Y C 0.4106(3) 0.1904(2) 1.0857(4) 0.056(4) Uiso 0.642(15) 1 d PGDU A 2
C3Y C 0.4090(4) 0.1807(3) 1.0365(3) 0.060(4) Uiso 0.642(15) 1 d PGU A 2
H3Y H 0.4284 0.1877 1.0115 0.072 Uiso 0.642(15) 1 calc PR A 2
C4Y C 0.3788(4) 0.1607(3) 1.0240(3) 0.069(5) Uiso 0.642(15) 1 d PGU A 2
H4Y H 0.3777 0.1541 0.9904 0.083 Uiso 0.642(15) 1 calc PR A 2
C5Y C 0.3503(4) 0.1504(3) 1.0607(4) 0.067(5) Uiso 0.642(15) 1 d PGU A 2
H5Y H 0.3297 0.1367 1.0521 0.081 Uiso 0.642(15) 1 calc PR A 2
C6Y C 0.3519(3) 0.1601(3) 1.1098(3) 0.060(4) Uiso 0.642(15) 1 d PGU A 2
H6Y H 0.3325 0.1531 1.1349 0.072 Uiso 0.642(15) 1 calc PR A 2
N7Y N 0.4773(3) 0.2354(2) 1.1580(3) 0.052(3) Uiso 0.642(15) 1 d PGDU A 2
N8Y N 0.4467(4) 0.2140(2) 1.1522(4) 0.056(4) Uiso 0.642(15) 1 d PGDU A 2
C9Y C 0.4399(4) 0.2099(3) 1.0997(4) 0.066(4) Uiso 0.642(15) 1 d PGDU A 2
C10Y C 0.4662(5) 0.2287(3) 1.0730(3) 0.060(4) Uiso 0.642(15) 1 d PGU A 2
H10Y H 0.4680 0.2305 1.0373 0.072 Uiso 0.642(15) 1 calc PR A 2
C11Y C 0.4894(4) 0.2445(2) 1.1090(4) 0.062(4) Uiso 0.642(15) 1 d PGU A 2
H11Y H 0.5094 0.2587 1.1017 0.074 Uiso 0.642(15) 1 calc PR A 2
C12Y C 0.4897(8) 0.2447(4) 1.2094(6) 0.054(4) Uiso 0.642(15) 1 d PDU A 2
H12E H 0.4631 0.2441 1.2316 0.065 Uiso 0.642(15) 1 calc PR A 2
H12F H 0.5002 0.2634 1.2076 0.065 Uiso 0.642(15) 1 calc PR A 2
C391 C 0.6058(3) 0.2157(2) 1.2222(5) 0.057(2) Uani 1 1 d U A .
C392 C 0.5989(3) 0.1937(2) 1.2541(5) 0.053(2) Uani 1 1 d U . .
C393 C 0.5562(3) 0.1899(2) 1.2764(4) 0.053(2) Uani 1 1 d U A .
H393 H 0.5517 0.1757 1.2994 0.063 Uiso 1 1 calc R . .
C394 C 0.5204(3) 0.2069(2) 1.2650(4) 0.049(2) Uani 1 1 d U . .
C395 C 0.5271(4) 0.2272(2) 1.2319(5) 0.059(2) Uani 1 1 d DU A .
C396 C 0.5706(4) 0.2314(2) 1.2130(5) 0.057(3) Uani 1 1 d U . .
H396 H 0.5753 0.2465 1.1922 0.068 Uiso 1 1 calc R A .
N411 N 0.7212(3) 0.17906(17) 1.0727(3) 0.088(3) Uani 1 1 d GU . .
C412 C 0.7018(2) 0.19769(18) 1.0406(4) 0.087(3) Uani 1 1 d GU . .
C413 C 0.7274(4) 0.20946(19) 1.0028(4) 0.106(4) Uani 1 1 d GU . .
H413 H 0.7142 0.2222 0.9809 0.127 Uiso 1 1 calc R . .
C414 C 0.7722(4) 0.2026(2) 0.9971(4) 0.124(5) Uani 1 1 d GU . .
H414 H 0.7897 0.2107 0.9712 0.149 Uiso 1 1 calc R . .
C415 C 0.7916(2) 0.1840(2) 1.0291(5) 0.127(5) Uani 1 1 d GU . .
H415 H 0.8222 0.1793 1.0252 0.153 Uiso 1 1 calc R . .
C416 C 0.7660(3) 0.1722(2) 1.0669(4) 0.110(4) Uani 1 1 d GU . .
H416 H 0.7792 0.1595 1.0889 0.132 Uiso 1 1 calc R . .
N421 N 0.5911(3) 0.1956(2) 1.0838(4) 0.067(2) Uani 1 1 d U . .
N422 N 0.6348(3) 0.1888(2) 1.0876(4) 0.068(2) Uani 1 1 d U . .
C423 C 0.6548(5) 0.2020(3) 1.0478(6) 0.078(3) Uani 1 1 d U . .
C424 C 0.6267(5) 0.2163(3) 1.0209(6) 0.083(3) Uani 1 1 d U . .
H424 H 0.6334 0.2270 0.9922 0.100 Uiso 1 1 calc R . .
C425 C 0.5847(5) 0.2124(3) 1.0436(6) 0.081(3) Uani 1 1 d U . .
H425 H 0.5571 0.2200 1.0332 0.097 Uiso 1 1 calc R . .
C426 C 0.5567(4) 0.1853(3) 1.1153(5) 0.069(3) Uani 1 1 d U . .
H42A H 0.5352 0.1997 1.1230 0.082 Uiso 1 1 calc R . .
H42B H 0.5703 0.1796 1.1477 0.082 Uiso 1 1 calc R . .
N431 N 0.3398(3) 0.1779(2) 1.2323(3) 0.058(2) Uani 1 1 d U A .
C432 C 0.3455(4) 0.1516(3) 1.2386(5) 0.067(3) Uani 1 1 d U . .
C433 C 0.3118(4) 0.1353(3) 1.2589(5) 0.073(3) Uani 1 1 d U A .
H433 H 0.3163 0.1168 1.2636 0.088 Uiso 1 1 calc R . .
C434 C 0.2721(4) 0.1476(3) 1.2716(5) 0.072(3) Uani 1 1 d U . .
H434 H 0.2478 0.1370 1.2830 0.087 Uiso 1 1 calc R A .
C435 C 0.2667(4) 0.1734(3) 1.2684(5) 0.069(3) Uani 1 1 d U A .
H435 H 0.2401 0.1816 1.2805 0.083 Uiso 1 1 calc R . .
C436 C 0.3012(4) 0.1887(3) 1.2466(5) 0.066(3) Uani 1 1 d U . .
H436 H 0.2967 0.2072 1.2419 0.079 Uiso 1 1 calc R A .
N441 N 0.4578(3) 0.1427(2) 1.2013(3) 0.069(2) Uani 1 1 d U . .
N442 N 0.4206(3) 0.1580(2) 1.2066(4) 0.068(2) Uani 1 1 d U A .
C443 C 0.3887(4) 0.1406(3) 1.2274(4) 0.069(3) Uani 1 1 d U A .
C444 C 0.4050(5) 0.1153(3) 1.2317(5) 0.074(3) Uani 1 1 d U . .
H444 H 0.3895 0.1002 1.2439 0.089 Uiso 1 1 calc R A .
C445 C 0.4511(5) 0.1165(3) 1.2135(4) 0.073(3) Uani 1 1 d U A .
H445 H 0.4718 0.1022 1.2108 0.087 Uiso 1 1 calc R . .
C446 C 0.4960(4) 0.1530(3) 1.1770(5) 0.073(3) Uani 1 1 d U A .
H44A H 0.5228 0.1451 1.1933 0.088 Uiso 1 1 calc R . .
H44B H 0.4969 0.1723 1.1834 0.088 Uiso 1 1 calc R . .
N451 N 0.5392(5) 0.0271(2) 0.9219(5) 0.089(3) Uani 1 1 d U . .
C452 C 0.5462(6) 0.0211(3) 0.9717(6) 0.087(3) Uani 1 1 d U . .
C453 C 0.5721(6) -0.0015(3) 0.9880(6) 0.088(3) Uani 1 1 d U . .
H453 H 0.5769 -0.0056 1.0226 0.106 Uiso 1 1 calc R . .
C454 C 0.5894(7) -0.0167(3) 0.9489(7) 0.109(4) Uani 1 1 d U . .
H454 H 0.6063 -0.0320 0.9577 0.130 Uiso 1 1 calc R . .
C455 C 0.5836(7) -0.0111(3) 0.8966(8) 0.111(4) Uani 1 1 d U . .
H455 H 0.5952 -0.0219 0.8704 0.133 Uiso 1 1 calc R . .
C456 C 0.5586(7) 0.0126(3) 0.8875(8) 0.105(4) Uani 1 1 d U . .
H456 H 0.5558 0.0182 0.8534 0.127 Uiso 1 1 calc R . .
N471 N 0.4392(3) 0.0559(2) 0.8865(3) 0.064(2) Uani 1 1 d U . .
C472 C 0.4116(4) 0.0767(3) 0.8784(4) 0.061(2) Uani 1 1 d U . .
C473 C 0.3690(4) 0.0738(3) 0.8585(4) 0.069(3) Uani 1 1 d U . .
H473 H 0.3503 0.0887 0.8527 0.083 Uiso 1 1 calc R . .
C474 C 0.3547(5) 0.0481(3) 0.8472(5) 0.077(3) Uani 1 1 d U . .
H474 H 0.3258 0.0453 0.8330 0.092 Uiso 1 1 calc R . .
C475 C 0.3810(5) 0.0277(3) 0.8561(4) 0.075(3) Uani 1 1 d U . .
H475 H 0.3706 0.0102 0.8500 0.090 Uiso 1 1 calc R . .
C476 C 0.4258(4) 0.0319(3) 0.8751(4) 0.071(3) Uani 1 1 d U . .
H476 H 0.4456 0.0173 0.8793 0.085 Uiso 1 1 calc R . .
N481 N 0.4789(4) 0.1269(2) 0.9283(4) 0.073(2) Uani 1 1 d U . .
N482 N 0.4702(4) 0.1017(2) 0.9132(4) 0.071(3) Uani 1 1 d U . .
C483 C 0.4282(4) 0.1014(3) 0.8942(4) 0.065(3) Uani 1 1 d U . .
C484 C 0.4106(5) 0.1269(3) 0.8974(4) 0.071(3) Uani 1 1 d U . .
H484 H 0.3820 0.1326 0.8859 0.085 Uiso 1 1 calc R . .
C485 C 0.4442(5) 0.1427(3) 0.9214(5) 0.078(3) Uani 1 1 d U . .
H485 H 0.4420 0.1608 0.9306 0.094 Uiso 1 1 calc R . .
C486 C 0.5188(4) 0.1324(3) 0.9613(5) 0.077(3) Uani 1 1 d U . .
H48A H 0.5405 0.1177 0.9577 0.093 Uiso 1 1 calc R . .
H48B H 0.5336 0.1488 0.9492 0.093 Uiso 1 1 calc R . .
N461 N 0.4840(4) 0.0703(3) 1.0312(4) 0.084(3) Uani 1 1 d U . .
N462 N 0.5004(4) 0.0584(2) 0.9911(4) 0.078(3) Uani 1 1 d U . .
C463 C 0.5257(5) 0.0373(2) 1.0056(5) 0.073(3) Uani 1 1 d U . .
C464 C 0.5265(6) 0.0367(3) 1.0601(5) 0.090(3) Uani 1 1 d U . .
H464 H 0.5441 0.0259 1.0816 0.108 Uiso 1 1 calc R . .
C465 C 0.4918(6) 0.0580(3) 1.0749(5) 0.086(3) Uani 1 1 d U . .
H465 H 0.4792 0.0614 1.1072 0.103 Uiso 1 1 calc R . .
C466 C 0.4565(4) 0.0931(3) 1.0302(4) 0.066(3) Uani 1 1 d U A .
H46A H 0.4305 0.0900 1.0527 0.079 Uiso 1 1 calc R . .
H46B H 0.4448 0.0953 0.9954 0.079 Uiso 1 1 calc R . .
C491 C 0.5303(4) 0.1616(3) 1.0926(5) 0.068(3) Uani 1 1 d U A .
C492 C 0.5000(4) 0.1487(3) 1.1219(5) 0.075(3) Uani 1 1 d U . .
C493 C 0.4746(4) 0.1273(3) 1.0967(5) 0.080(3) Uani 1 1 d U A .
H493 H 0.4528 0.1180 1.1161 0.096 Uiso 1 1 calc R . .
C494 C 0.4805(4) 0.1201(3) 1.0471(5) 0.074(3) Uani 1 1 d U . .
C495 C 0.5076(4) 0.1357(3) 1.0158(5) 0.077(3) Uani 1 1 d U A .
C496 C 0.5340(4) 0.1575(3) 1.0397(5) 0.073(3) Uani 1 1 d U . .
H496 H 0.5530 0.1685 1.0199 0.088 Uiso 1 1 calc R A .
B11X B 0.8967(7) 0.0346(4) 0.0547(8) 0.114(3) Uiso 0.45 1 d PDU B 1
F12X F 0.8515(5) 0.0356(4) 0.0592(7) 0.118(4) Uiso 0.45 1 d PDU B 1
F13X F 0.9115(7) 0.0125(3) 0.0795(7) 0.119(4) Uiso 0.45 1 d PDU B 1
F14X F 0.9166(6) 0.0557(3) 0.0744(7) 0.105(4) Uiso 0.45 1 d PDU B 1
F15X F 0.9067(6) 0.0337(4) 0.0044(6) 0.109(4) Uiso 0.45 1 d PDU B 1
B11Y B 0.8264(11) 0.0127(7) 0.1196(13) 0.121(4) Uiso 0.19 1 d PDU C 2
F12Y F 0.8062(14) -0.0093(7) 0.0975(16) 0.122(5) Uiso 0.19 1 d PDU C 2
F13Y F 0.7943(13) 0.0322(7) 0.1276(17) 0.120(5) Uiso 0.19 1 d PDU C 2
F14Y F 0.8594(13) 0.0222(9) 0.0877(16) 0.118(3) Uiso 0.19 1 d PDU C 2
F15Y F 0.8455(15) 0.0052(9) 0.1654(14) 0.122(5) Uiso 0.19 1 d PDU C 2
B11Z B 0.7521(8) 0.0975(4) 0.9971(9) 0.113(4) Uiso 0.36 1 d PDU D 3
F12Z F 0.7275(7) 0.0848(4) 0.9611(8) 0.110(5) Uiso 0.36 1 d PDU D 3
F13Z F 0.7473(8) 0.1243(3) 0.9922(9) 0.116(5) Uiso 0.36 1 d PDU D 3
F14Z F 0.7957(6) 0.0905(4) 0.9919(9) 0.112(5) Uiso 0.36 1 d PDU D 3
F15Z F 0.7372(8) 0.0897(4) 1.0438(7) 0.118(5) Uiso 0.36 1 d PDU D 3
B21X B 0.9019(9) 0.2144(5) 0.0600(10) 0.118(3) Uiso 0.30 1 d PDU E 1
F22X F 0.8618(8) 0.2209(6) 0.0391(11) 0.119(4) Uiso 0.30 1 d PDU E 1
F23X F 0.9026(10) 0.1879(4) 0.0705(11) 0.119(4) Uiso 0.30 1 d PDU E 1
F24X F 0.9355(9) 0.2206(6) 0.0282(10) 0.120(4) Uiso 0.30 1 d PDU E 1
F25X F 0.9076(10) 0.2281(6) 0.1037(10) 0.118(4) Uiso 0.30 1 d PDU E 1
B21Y B 0.8896(10) 0.2201(6) 0.0856(12) 0.119(3) Uiso 0.22 1 d PDU F 2
F22Y F 0.9030(13) 0.2152(8) 0.0374(12) 0.118(3) Uiso 0.22 1 d PDU F 2
F23Y F 0.8793(13) 0.1967(6) 0.1093(15) 0.120(3) Uiso 0.22 1 d PDU F 2
F24Y F 0.8522(11) 0.2360(7) 0.0854(15) 0.119(4) Uiso 0.22 1 d PDU F 2
F25Y F 0.9231(12) 0.2325(8) 0.1112(15) 0.118(4) Uiso 0.22 1 d PDU F 2
B21Z B 0.8885(7) 0.1946(4) 0.2214(8) 0.108(3) Uiso 0.48 1 d PDU G 3
F22Z F 0.9284(5) 0.2062(3) 0.2351(6) 0.092(3) Uiso 0.48 1 d PDU G 3
F23Z F 0.8544(5) 0.2059(3) 0.2472(6) 0.112(4) Uiso 0.48 1 d PDU G 3
F24Z F 0.8797(6) 0.1996(4) 0.1710(6) 0.119(3) Uiso 0.48 1 d PDU G 3
F25Z F 0.8913(6) 0.1685(3) 0.2294(7) 0.114(4) Uiso 0.48 1 d PDU G 3
B31X B 0.4955(7) 0.2167(4) 0.9298(8) 0.0835(19) Uiso 0.38 1 d PDU H 1
F32X F 0.5009(6) 0.2356(4) 0.9671(7) 0.083(2) Uiso 0.38 1 d PDU H 1
F33X F 0.5153(8) 0.2251(4) 0.8856(8) 0.083(2) Uiso 0.38 1 d PDU H 1
F34X F 0.5144(6) 0.1932(3) 0.9450(7) 0.084(2) Uiso 0.38 1 d PDU H 1
F35X F 0.4500(5) 0.2133(4) 0.9214(8) 0.085(2) Uiso 0.38 1 d PDU H 1
B31Y B 0.5112(11) 0.2217(6) 0.9328(12) 0.0835(19) Uiso 0.16 1 d PDU I 2
F32Y F 0.5187(14) 0.2393(7) 0.9719(14) 0.083(3) Uiso 0.16 1 d PDU I 2
F33Y F 0.5100(14) 0.2353(8) 0.8875(13) 0.083(2) Uiso 0.16 1 d PDU I 2
F34Y F 0.5455(12) 0.2034(7) 0.9314(15) 0.083(2) Uiso 0.16 1 d PDU I 2
F35Y F 0.4711(11) 0.2088(8) 0.9404(16) 0.084(2) Uiso 0.16 1 d PDU I 2
B31Z B 0.4821(6) 0.2130(4) 0.9245(7) 0.0837(19) Uiso 0.46 1 d PDU J 3
F32Z F 0.4462(5) 0.2025(3) 0.8982(6) 0.086(2) Uiso 0.46 1 d PDU J 3
F33Z F 0.4974(5) 0.1939(3) 0.9572(6) 0.083(2) Uiso 0.46 1 d PDU J 3
F34Z F 0.5151(6) 0.2198(4) 0.8906(6) 0.083(2) Uiso 0.46 1 d PDU J 3
F35Z F 0.4688(6) 0.2350(3) 0.9509(6) 0.083(2) Uiso 0.46 1 d PDU J 3
B41X B 0.7165(18) 0.1528(10) 0.4134(19) 0.103(4) Uiso 0.094(7) 1 d PDU K 1
F42X F 0.689(2) 0.1309(12) 0.406(3) 0.102(4) Uiso 0.094(7) 1 d PDU K 1
F43X F 0.7609(18) 0.1451(15) 0.409(3) 0.103(4) Uiso 0.094(7) 1 d PDU K 1
F44X F 0.707(3) 0.1717(13) 0.377(2) 0.102(4) Uiso 0.094(7) 1 d PDU K 1
F45X F 0.710(3) 0.1631(14) 0.461(2) 0.103(4) Uiso 0.094(7) 1 d PDU K 1
B41Y B 0.6792(7) 0.1462(4) 0.4010(8) 0.102(4) Uiso 0.406(7) 1 d PDU K 2
F42Y F 0.6755(6) 0.1339(4) 0.3555(6) 0.102(4) Uiso 0.406(7) 1 d PDU K 2
F43Y F 0.7229(5) 0.1464(4) 0.4166(7) 0.103(4) Uiso 0.406(7) 1 d PDU K 2
F44Y F 0.6645(6) 0.1717(3) 0.3970(7) 0.103(4) Uiso 0.406(7) 1 d PDU K 2
F45Y F 0.6552(6) 0.1327(4) 0.4371(7) 0.100(4) Uiso 0.406(7) 1 d PDU K 2
B51 B 0.9643(4) 0.0397(2) 0.7063(5) 0.103(2) Uiso 1 1 d DU L 2
F52X F 0.9900(7) 0.0307(4) 0.7475(7) 0.108(3) Uiso 0.44(2) 1 d PDU L 1
F53X F 0.9203(5) 0.0436(5) 0.7238(9) 0.106(3) Uiso 0.44(2) 1 d PDU L 1
F54X F 0.9639(9) 0.0206(3) 0.6689(6) 0.099(3) Uiso 0.44(2) 1 d PDU L 1
F55X F 0.9814(7) 0.0636(3) 0.6890(9) 0.100(3) Uiso 0.44(2) 1 d PDU L 1
F52Y F 0.9782(6) 0.0386(4) 0.7556(5) 0.107(3) Uiso 0.56(2) 1 d PDU L 2
F53Y F 0.9190(4) 0.0338(4) 0.7041(7) 0.108(3) Uiso 0.56(2) 1 d PDU L 2
F54Y F 0.9880(7) 0.0211(3) 0.6773(6) 0.097(3) Uiso 0.56(2) 1 d PDU L 2
F55Y F 0.9718(6) 0.0644(3) 0.6856(7) 0.100(3) Uiso 0.56(2) 1 d PDU L 2
B61 B 0.3533(4) 0.1539(2) 0.7796(5) 0.0860(18) Uiso 1 1 d DU . .
F62 F 0.3282(3) 0.15792(15) 0.7372(3) 0.0881(19) Uiso 1 1 d DU M .
F63X F 0.3269(4) 0.1560(4) 0.8227(4) 0.086(3) Uiso 0.526(19) 1 d PDU M 1
F64X F 0.3759(5) 0.1304(2) 0.7807(6) 0.085(2) Uiso 0.526(19) 1 d PDU M 1
F65X F 0.3852(5) 0.1748(3) 0.7834(6) 0.090(3) Uiso 0.526(19) 1 d PDU M 1
F63Y F 0.3264(5) 0.1415(4) 0.8166(5) 0.085(3) Uiso 0.474(19) 1 d PDU M 2
F64Y F 0.3871(5) 0.1359(3) 0.7675(6) 0.085(3) Uiso 0.474(19) 1 d PDU M 2
F65Y F 0.3721(6) 0.1760(3) 0.7997(7) 0.089(3) Uiso 0.474(19) 1 d PDU M 2
B71 B 0.5043(5) 0.1279(3) 0.3446(6) 0.122(2) Uiso 1 1 d DU . .
F72 F 0.4802(3) 0.14691(19) 0.3725(4) 0.126(3) Uiso 1 1 d DU . .
F73 F 0.5488(3) 0.12802(18) 0.3587(4) 0.112(2) Uiso 1 1 d DU . .
F74 F 0.5011(3) 0.13546(19) 0.2955(3) 0.119(2) Uiso 1 1 d DU . .
F75 F 0.4851(4) 0.1044(2) 0.3558(4) 0.136(3) Uiso 1 1 d DU . .
B81 B 0.1914(12) 0.0678(7) 0.8217(14) 0.128(9) Uiso 0.18 1 d PDU . .
F82 F 0.2356(12) 0.0763(9) 0.8217(19) 0.127(9) Uiso 0.18 1 d PDU . .
F83 F 0.1665(15) 0.0849(9) 0.8511(17) 0.126(9) Uiso 0.18 1 d PDU . .
F84 F 0.1751(16) 0.0677(10) 0.7728(14) 0.129(9) Uiso 0.18 1 d PDU . .
F85 F 0.1886(17) 0.0424(7) 0.8413(18) 0.128(9) Uiso 0.18 1 d PDU . .
B91 B 0.2375(8) 0.3033(4) 0.0478(8) 0.110(4) Uiso 0.37 1 d PDU . .
F92 F 0.1997(6) 0.2900(4) 0.0345(8) 0.108(4) Uiso 0.37 1 d PDU . .
F93 F 0.2386(7) 0.3068(4) 0.0988(6) 0.108(4) Uiso 0.37 1 d PDU . .
F94 F 0.2382(8) 0.3272(4) 0.0241(8) 0.111(4) Uiso 0.37 1 d PDU . .
F95 F 0.2741(6) 0.2889(4) 0.0327(8) 0.113(4) Uiso 0.37 1 d PDU . .
B101 B 0.2500 0.2500 0.3240(9) 0.170(5) Uiso 1 2 d SDU . .
F102 F 0.2500 0.2500 0.2714(6) 0.172(5) Uiso 1 2 d SDU N .
F103 F 0.2918(7) 0.2425(7) 0.3384(9) 0.171(5) Uiso 0.50 1 d PDU N 1
F104 F 0.2891(8) 0.2656(6) 0.3357(9) 0.170(5) Uiso 0.50 1 d PDU N 2
F105 F 0.2755(10) 0.2273(5) 0.3354(9) 0.170(5) Uiso 0.50 1 d PDU N 3
B111 B 0.6779(11) 0.0349(6) 0.0680(12) 0.122(8) Uiso 0.20 1 d PDU . .
F112 F 0.6335(10) 0.0322(9) 0.0804(16) 0.124(8) Uiso 0.20 1 d PDU . .
F113 F 0.7013(14) 0.0135(7) 0.0874(15) 0.121(8) Uiso 0.20 1 d PDU . .
F114 F 0.6947(14) 0.0578(7) 0.0890(15) 0.123(8) Uiso 0.20 1 d PDU . .
F115 F 0.6827(14) 0.0358(8) 0.0164(11) 0.122(8) Uiso 0.20 1 d PDU . .
B121 B 0.6460(10) 0.2505(6) 0.8550(10) 0.119(6) Uiso 0.25 1 d PDU . .
F122 F 0.6831(10) 0.2374(6) 0.8365(13) 0.122(7) Uiso 0.25 1 d PDU . .
F123 F 0.6502(12) 0.2771(5) 0.8453(12) 0.116(7) Uiso 0.25 1 d PDU . .
F124 F 0.6085(10) 0.2414(6) 0.8321(12) 0.119(7) Uiso 0.25 1 d PDU . .
F125 F 0.6434(12) 0.2463(7) 0.9060(9) 0.120(7) Uiso 0.25 1 d PDU . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N122 Co1 N131 164.3(4) . . ?
N122 Co1 N211 94.8(4) . . ?
N131 Co1 N211 99.7(4) . . ?
N122 Co1 N111 75.8(4) . . ?
N131 Co1 N111 97.8(4) . . ?
N211 Co1 N111 91.2(4) . . ?
N122 Co1 N142 90.0(4) . . ?
N131 Co1 N142 75.3(4) . . ?
N211 Co1 N142 174.8(4) . . ?
N111 Co1 N142 88.2(4) . . ?
N122 Co1 N222 101.6(4) . . ?
N131 Co1 N222 87.8(4) . . ?
N211 Co1 N222 75.7(4) . . ?
N111 Co1 N222 166.4(4) . . ?
N142 Co1 N222 105.2(4) . . ?
N162 Co2 N171 165.0(3) . . ?
N162 Co2 N242 100.3(4) . . ?
N171 Co2 N242 89.8(3) . . ?
N162 Co2 N231 92.8(3) . . ?
N171 Co2 N231 100.4(3) . . ?
N242 Co2 N231 76.9(4) . . ?
N162 Co2 N151 77.0(4) . . ?
N171 Co2 N151 96.0(4) . . ?
N242 Co2 N151 164.9(4) . . ?
N231 Co2 N151 88.3(4) . . ?
N162 Co2 N182 90.2(3) . . ?
N171 Co2 N182 76.3(3) . . ?
N242 Co2 N182 105.2(4) . . ?
N231 Co2 N182 175.9(4) . . ?
N151 Co2 N182 89.6(4) . . ?
F2 Co3 F1 77.7(2) . . ?
F2 Co3 N262 103.8(3) . . ?
F1 Co3 N262 94.2(3) . . ?
F2 Co3 N271 89.9(3) . . ?
F1 Co3 N271 94.5(3) . . ?
N262 Co3 N271 165.1(3) . . ?
F2 Co3 N251 88.0(3) . . ?
F1 Co3 N251 159.3(3) . . ?
N262 Co3 N251 74.6(4) . . ?
N271 Co3 N251 100.5(3) . . ?
F2 Co3 N282 161.2(3) . . ?
F1 Co3 N282 91.7(3) . . ?
N262 Co3 N282 92.2(3) . . ?
N271 Co3 N282 75.4(3) . . ?
N251 Co3 N282 105.8(4) . . ?
F1 Co4 F2 78.3(2) . . ?
F1 Co4 N482 102.4(3) . . ?
F2 Co4 N482 91.6(4) . . ?
F1 Co4 N462 160.8(4) . . ?
F2 Co4 N462 95.9(3) . . ?
N482 Co4 N462 96.0(4) . . ?
F1 Co4 N471 88.8(3) . . ?
F2 Co4 N471 158.8(3) . . ?
N482 Co4 N471 74.6(4) . . ?
N462 Co4 N471 101.4(4) . . ?
F1 Co4 N451 85.3(4) . . ?
F2 Co4 N451 91.8(4) . . ?
N482 Co4 N451 172.0(4) . . ?
N462 Co4 N451 76.5(5) . . ?
N471 Co4 N451 104.0(5) . . ?
N422 Co5 N322 104.3(4) . . ?
N422 Co5 N331 85.1(4) . . ?
N322 Co5 N331 163.9(5) . . ?
N422 Co5 N342 101.1(4) . . ?
N322 Co5 N342 88.2(4) . . ?
N331 Co5 N342 77.0(4) . . ?
N422 Co5 N411 76.4(4) . . ?
N322 Co5 N411 96.2(4) . . ?
N331 Co5 N411 98.8(4) . . ?
N342 Co5 N411 175.3(4) . . ?
N422 Co5 N311 167.9(4) . . ?
N322 Co5 N311 76.2(4) . . ?
N331 Co5 N311 97.5(4) . . ?
N342 Co5 N311 91.1(4) . . ?
N411 Co5 N311 91.5(4) . . ?
N362 Co6 N8Y 93.3(4) . . ?
N362 Co6 N8X 85.9(7) . . ?
N8Y Co6 N8X 11.1(9) . . ?
N362 Co6 N351 77.4(4) . . ?
N8Y Co6 N351 91.9(5) . . ?
N8X Co6 N351 82.2(8) . . ?
N362 Co6 N431 92.7(4) . . ?
N8Y Co6 N431 173.5(4) . . ?
N8X Co6 N431 174.0(8) . . ?
N351 Co6 N431 91.8(4) . . ?
N362 Co6 N1Y 171.3(4) . . ?
N8Y Co6 N1Y 78.5(4) . . ?
N8X Co6 N1Y 85.6(6) . . ?
N351 Co6 N1Y 99.7(4) . . ?
N431 Co6 N1Y 95.6(4) . . ?
N362 Co6 N1X 156.4(7) . . ?
N8Y Co6 N1X 68.1(6) . . ?
N8X Co6 N1X 73.4(7) . . ?
N351 Co6 N1X 88.3(7) . . ?
N431 Co6 N1X 106.7(6) . . ?
N1Y Co6 N1X 15.5(6) . . ?
N362 Co6 N442 106.0(4) . . ?
N8Y Co6 N442 98.7(5) . . ?
N8X Co6 N442 108.8(8) . . ?
N351 Co6 N442 168.5(4) . . ?
N431 Co6 N442 77.2(4) . . ?
N1Y Co6 N442 78.5(4) . . ?
N1X Co6 N442 91.7(7) . . ?
Co4 F1 Co3 100.3(2) . . ?
Co4 F2 Co3 100.2(3) . . ?
C112 N111 C116 118.1(12) . . ?
C112 N111 Co1 115.8(10) . . ?
C116 N111 Co1 126.1(9) . . ?
N111 C112 C113 127.3(15) . . ?
N111 C112 C123 114.4(12) . . ?
C113 C112 C123 117.9(13) . . ?
C112 C113 C114 112.5(14) . . ?
C112 C113 H113 123.8 . . ?
C114 C113 H113 123.8 . . ?
C115 C114 C113 118.7(15) . . ?
C115 C114 H114 120.7 . . ?
C113 C114 H114 120.7 . . ?
C114 C115 C116 124.2(17) . . ?
C114 C115 H115 117.9 . . ?
C116 C115 H115 117.9 . . ?
C115 C116 N111 119.0(14) . . ?
C115 C116 H116 120.5 . . ?
N111 C116 H116 120.5 . . ?
N122 N121 C125 106.8(12) . . ?
N122 N121 C126 122.9(9) . . ?
C125 N121 C126 129.8(12) . . ?
C123 N122 N121 110.8(10) . . ?
C123 N122 Co1 114.1(9) . . ?
N121 N122 Co1 135.1(8) . . ?
N122 C123 C124 107.1(13) . . ?
N122 C123 C112 118.2(11) . . ?
C124 C123 C112 132.7(13) . . ?
C125 C124 C123 105.6(13) . . ?
C125 C124 H124 127.2 . . ?
C123 C124 H124 127.2 . . ?
C124 C125 N121 109.5(14) . . ?
C124 C125 H125 125.3 . . ?
N121 C125 H125 125.3 . . ?
N121 C126 C191 120.8(12) . . ?
N121 C126 H12A 107.1 . . ?
C191 C126 H12A 107.1 . . ?
N121 C126 H12B 107.1 . . ?
C191 C126 H12B 107.1 . . ?
H12A C126 H12B 106.8 . . ?
C132 N131 C136 119.0(12) . . ?
C132 N131 Co1 116.2(9) . . ?
C136 N131 Co1 124.1(10) . . ?
N131 C132 C133 121.1(14) . . ?
N131 C132 C143 117.6(12) . . ?
C133 C132 C143 121.3(15) . . ?
C132 C133 C134 118.3(16) . . ?
C132 C133 H133 120.8 . . ?
C134 C133 H133 120.8 . . ?
C135 C134 C133 117.8(14) . . ?
C135 C134 H134 121.1 . . ?
C133 C134 H134 121.1 . . ?
C136 C135 C134 119.3(16) . . ?
C136 C135 H135 120.3 . . ?
C134 C135 H135 120.3 . . ?
N131 C136 C135 124.2(15) . . ?
N131 C136 H136 117.9 . . ?
C135 C136 H136 117.9 . . ?
C145 N141 N142 110.5(11) . . ?
C145 N141 C146 124.3(12) . . ?
N142 N141 C146 124.3(11) . . ?
C143 N142 N141 102.7(11) . . ?
C143 N142 Co1 115.9(10) . . ?
N141 N142 Co1 137.3(8) . . ?
N142 C143 C144 112.2(13) . . ?
N142 C143 C132 112.8(13) . . ?
C144 C143 C132 135.1(13) . . ?
C145 C144 C143 104.8(14) . . ?
C145 C144 H144 127.6 . . ?
C143 C144 H144 127.6 . . ?
C144 C145 N141 109.8(15) . . ?
C144 C145 H145 125.1 . . ?
N141 C145 H145 125.1 . . ?
N141 C146 C192 115.1(10) . . ?
N141 C146 H14A 108.5 . . ?
C192 C146 H14A 108.5 . . ?
N141 C146 H14B 108.5 . . ?
C192 C146 H14B 108.5 . . ?
H14A C146 H14B 107.5 . . ?
C156 N151 C152 122.5(11) . . ?
C156 N151 Co2 124.4(9) . . ?
C152 N151 Co2 113.1(8) . . ?
N151 C152 C153 120.1(12) . . ?
N151 C152 C163 116.4(11) . . ?
C153 C152 C163 123.6(11) . . ?
C152 C153 C154 118.5(13) . . ?
C152 C153 H153 120.7 . . ?
C154 C153 H153 120.7 . . ?
C155 C154 C153 119.2(14) . . ?
C155 C154 H154 120.4 . . ?
C153 C154 H154 120.4 . . ?
C154 C155 C156 118.9(13) . . ?
C154 C155 H155 120.6 . . ?
C156 C155 H155 120.6 . . ?
N151 C156 C155 120.8(12) . . ?
N151 C156 H156 119.6 . . ?
C155 C156 H156 119.6 . . ?
C166 N161 C165 129.5(10) . . ?
C166 N161 N162 123.4(9) . . ?
C165 N161 N162 106.7(9) . . ?
C163 N162 N161 109.1(9) . . ?
C163 N162 Co2 114.8(8) . . ?
N161 N162 Co2 135.2(7) . . ?
N162 C163 C152 118.4(10) . . ?
N162 C163 C164 108.1(11) . . ?
C152 C163 C164 132.8(12) . . ?
C165 C164 C163 107.6(10) . . ?
C165 C164 H164 126.2 . . ?
C163 C164 H164 126.2 . . ?
C164 C165 N161 108.5(10) . . ?
C164 C165 H165 125.8 . . ?
N161 C165 H165 125.8 . . ?
N161 C166 C194 117.3(9) . . ?
N161 C166 H16A 108.0 . . ?
C194 C166 H16A 108.0 . . ?
N161 C166 H16B 108.0 . . ?
C194 C166 H16B 108.0 . . ?
H16A C166 H16B 107.2 . . ?
C172 N171 C176 117.0(9) . . ?
C172 N171 Co2 117.7(7) . . ?
C176 N171 Co2 125.3(7) . . ?
N171 C172 C173 122.9(10) . . ?
N171 C172 C183 113.5(9) . . ?
C173 C172 C183 123.6(9) . . ?
C172 C173 C174 120.7(10) . . ?
C172 C173 H173 119.6 . . ?
C174 C173 H173 119.6 . . ?
C173 C174 C175 115.3(10) . . ?
C173 C174 H174 122.3 . . ?
C175 C174 H174 122.3 . . ?
C176 C175 C174 121.4(10) . . ?
C176 C175 H175 119.3 . . ?
C174 C175 H175 119.3 . . ?
C175 C176 N171 122.6(10) . . ?
C175 C176 H176 118.7 . . ?
N171 C176 H176 118.7 . . ?
N182 N181 C185 112.1(9) . . ?
N182 N181 C186 122.0(8) . . ?
C185 N181 C186 125.5(9) . . ?
N181 N182 C183 105.4(8) . . ?
N181 N182 Co2 139.7(7) . . ?
C183 N182 Co2 112.0(7) . . ?
N182 C183 C184 112.2(10) . . ?
N182 C183 C172 118.9(9) . . ?
C184 C183 C172 128.9(10) . . ?
C183 C184 C185 103.6(10) . . ?
C183 C184 H184 128.2 . . ?
C185 C184 H184 128.2 . . ?
N181 C185 C184 106.6(11) . . ?
N181 C185 H185 126.7 . . ?
C184 C185 H185 126.7 . . ?
N181 C186 C195 111.3(8) . . ?
N181 C186 H18A 109.4 . . ?
C195 C186 H18A 109.4 . . ?
N181 C186 H18B 109.4 . . ?
C195 C186 H18B 109.4 . . ?
H18A C186 H18B 108.0 . . ?
C196 C191 C192 118.5(10) . . ?
C196 C191 C126 114.6(11) . . ?
C192 C191 C126 126.9(12) . . ?
C193 C192 C191 116.6(11) . . ?
C193 C192 C146 113.6(11) . . ?
C191 C192 C146 129.0(11) . . ?
C192 C193 C194 124.8(11) . . ?
C192 C193 H193 117.6 . . ?
C194 C193 H193 117.6 . . ?
C195 C194 C193 119.3(10) . . ?
C195 C194 C166 127.5(10) . . ?
C193 C194 C166 113.2(9) . . ?
C194 C195 C196 118.2(11) . . ?
C194 C195 C186 129.9(10) . . ?
C196 C195 C186 111.8(10) . . ?
C195 C196 C191 122.5(11) . . ?
C195 C196 H196 118.7 . . ?
C191 C196 H196 118.7 . . ?
C212 N211 C216 121.2(12) . . ?
C212 N211 Co1 114.7(9) . . ?
C216 N211 Co1 124.1(9) . . ?
N211 C212 C223 117.2(13) . . ?
N211 C212 C213 120.2(13) . . ?
C223 C212 C213 122.6(14) . . ?
C214 C213 C212 116.9(15) . . ?
C214 C213 H213 121.5 . . ?
C212 C213 H213 121.5 . . ?
C213 C214 C215 122.8(15) . . ?
C213 C214 H214 118.6 . . ?
C215 C214 H214 118.6 . . ?
C214 C215 C216 122.4(15) . . ?
C214 C215 H215 118.8 . . ?
C216 C215 H215 118.8 . . ?
C215 C216 N211 116.1(14) . . ?
C215 C216 H216 122.0 . . ?
N211 C216 H216 122.0 . . ?
C225 N221 N222 110.9(11) . . ?
C225 N221 C226 129.9(11) . . ?
N222 N221 C226 118.9(10) . . ?
C223 N222 N221 106.1(10) . . ?
C223 N222 Co1 114.2(8) . . ?
N221 N222 Co1 139.6(8) . . ?
C224 C223 N222 109.9(12) . . ?
C224 C223 C212 132.1(14) . . ?
N222 C223 C212 117.9(12) . . ?
C223 C224 C225 104.9(12) . . ?
C223 C224 H224 127.6 . . ?
C225 C224 H224 127.6 . . ?
N221 C225 C224 108.3(12) . . ?
N221 C225 H225 125.9 . . ?
C224 C225 H225 125.9 . . ?
N221 C226 C291 115.9(10) . . ?
N221 C226 H22A 108.3 . . ?
C291 C226 H22A 108.3 . . ?
N221 C226 H22B 108.3 . . ?
C291 C226 H22B 108.3 . . ?
H22A C226 H22B 107.4 . . ?
C232 N231 C236 120.0 . . ?
C232 N231 Co2 113.4(5) . . ?
C236 N231 Co2 125.8(5) . . ?
C243 C232 N231 113.5(9) . . ?
C243 C232 C233 126.4(9) . . ?
N231 C232 C233 120.0 . . ?
C234 C233 C232 120.0 . . ?
C234 C233 H233 120.0 . . ?
C232 C233 H233 120.0 . . ?
C233 C234 C235 120.0 . . ?
C233 C234 H234 120.0 . . ?
C235 C234 H234 120.0 . . ?
C236 C235 C234 120.0 . . ?
C236 C235 H235 120.0 . . ?
C234 C235 H235 120.0 . . ?
C235 C236 N231 120.0 . . ?
C235 C236 H236 120.0 . . ?
N231 C236 H236 120.0 . . ?
C245 N241 N242 111.1(12) . . ?
C245 N241 C246 130.3(13) . . ?
N242 N241 C246 118.5(10) . . ?
N241 N242 C243 109.0(11) . . ?
N241 N242 Co2 141.3(7) . . ?
C243 N242 Co2 109.7(10) . . ?
C232 C243 N242 125.0(13) . . ?
C232 C243 C244 132.7(12) . . ?
N242 C243 C244 102.3(13) . . ?
C245 C244 C243 108.5(13) . . ?
C245 C244 H244 125.7 . . ?
C243 C244 H244 125.7 . . ?
N241 C245 C244 109.0(16) . . ?
N241 C245 H245 125.5 . . ?
C244 C245 H245 125.5 . . ?
N241 C246 C292 114.2(10) . . ?
N241 C246 H24A 108.7 . . ?
C292 C246 H24A 108.7 . . ?
N241 C246 H24B 108.7 . . ?
C292 C246 H24B 108.7 . . ?
H24A C246 H24B 107.6 . . ?
C252 N251 C256 119.5(11) . . ?
C252 N251 Co3 115.8(7) . . ?
C256 N251 Co3 124.1(10) . . ?
N251 C252 C253 125.4(11) . . ?
N251 C252 C263 114.5(10) . . ?
C253 C252 C263 119.7(12) . . ?
C254 C253 C252 113.4(14) . . ?
C254 C253 H253 123.3 . . ?
C252 C253 H253 123.3 . . ?
C255 C254 C253 122.6(15) . . ?
C255 C254 H254 118.7 . . ?
C253 C254 H254 118.7 . . ?
C254 C255 C256 120.3(14) . . ?
C254 C255 H255 119.9 . . ?
C256 C255 H255 119.9 . . ?
N251 C256 C255 118.6(14) . . ?
N251 C256 H256 120.7 . . ?
C255 C256 H256 120.7 . . ?
N262 N261 C265 109.2(8) . . ?
N262 N261 C266 119.6(8) . . ?
C265 N261 C266 130.5(8) . . ?
C263 N262 N261 105.8(9) . . ?
C263 N262 Co3 118.0(7) . . ?
N261 N262 Co3 136.2(7) . . ?
N262 C263 C264 112.1(10) . . ?
N262 C263 C252 116.0(10) . . ?
C264 C263 C252 131.9(11) . . ?
C265 C264 C263 105.0(11) . . ?
C265 C264 H264 127.5 . . ?
C263 C264 H264 127.5 . . ?
C264 C265 N261 107.9(10) . . ?
C264 C265 H265 126.1 . . ?
N261 C265 H265 126.1 . . ?
N261 C266 C294 117.1(9) . . ?
N261 C266 H26A 108.0 . . ?
C294 C266 H26A 108.0 . . ?
N261 C266 H26B 108.0 . . ?
C294 C266 H26B 108.0 . . ?
H26A C266 H26B 107.3 . . ?
C272 N271 C276 120.0 . . ?
C272 N271 Co3 116.3(4) . . ?
C276 N271 Co3 122.8(4) . . ?
C273 C272 N271 120.0 . . ?
C273 C272 C283 128.9(7) . . ?
N271 C272 C283 111.1(7) . . ?
C272 C273 C274 120.0 . . ?
C272 C273 H273 120.0 . . ?
C274 C273 H273 120.0 . . ?
C273 C274 C275 120.0 . . ?
C273 C274 H274 120.0 . . ?
C275 C274 H274 120.0 . . ?
C274 C275 C276 120.0 . . ?
C274 C275 H275 120.0 . . ?
C276 C275 H275 120.0 . . ?
C275 C276 N271 120.0 . . ?
C275 C276 H276 120.0 . . ?
N271 C276 H276 120.0 . . ?
N282 N281 C285 110.0(10) . . ?
N282 N281 C286 123.7(9) . . ?
C285 N281 C286 126.1(10) . . ?
C283 N282 N281 106.6(10) . . ?
C283 N282 Co3 112.6(8) . . ?
N281 N282 Co3 139.8(7) . . ?
N282 C283 C284 110.3(11) . . ?
N282 C283 C272 122.6(11) . . ?
C284 C283 C272 127.1(11) . . ?
C285 C284 C283 105.5(11) . . ?
C285 C284 H284 127.3 . . ?
C283 C284 H284 127.3 . . ?
C284 C285 N281 107.6(12) . . ?
C284 C285 H285 126.2 . . ?
N281 C285 H285 126.2 . . ?
C295 C286 N281 113.1(9) . . ?
C295 C286 H28A 109.0 . . ?
N281 C286 H28A 109.0 . . ?
C295 C286 H28B 109.0 . . ?
N281 C286 H28B 109.0 . . ?
H28A C286 H28B 107.8 . . ?
C296 C291 C292 116.4(9) . . ?
C296 C291 C226 125.5(10) . . ?
C292 C291 C226 118.1(10) . . ?
C293 C292 C291 119.9(10) . . ?
C293 C292 C246 122.8(10) . . ?
C291 C292 C246 117.2(9) . . ?
C292 C293 C294 124.3(10) . . ?
C292 C293 H293 117.8 . . ?
C294 C293 H293 117.8 . . ?
C295 C294 C293 115.1(9) . . ?
C295 C294 C266 127.1(9) . . ?
C293 C294 C266 117.8(9) . . ?
C296 C295 C294 120.0(9) . . ?
C296 C295 C286 118.7(9) . . ?
C294 C295 C286 121.3(9) . . ?
C295 C296 C291 124.2(9) . . ?
C295 C296 H296 117.9 . . ?
C291 C296 H296 117.9 . . ?
C312 N311 C316 120.8(12) . . ?
C312 N311 Co5 113.7(8) . . ?
C316 N311 Co5 125.5(9) . . ?
N311 C312 C313 116.0(13) . . ?
N311 C312 C323 114.6(12) . . ?
C313 C312 C323 129.5(14) . . ?
C314 C313 C312 124.5(16) . . ?
C314 C313 H313 117.7 . . ?
C312 C313 H313 117.7 . . ?
C313 C314 C315 116.1(14) . . ?
C313 C314 H314 122.0 . . ?
C315 C314 H314 122.0 . . ?
C316 C315 C314 121.8(14) . . ?
C316 C315 H315 119.1 . . ?
C314 C315 H315 119.1 . . ?
C315 C316 N311 120.8(15) . . ?
C315 C316 H316 119.6 . . ?
N311 C316 H316 119.6 . . ?
N322 N321 C325 109.3(11) . . ?
N322 N321 C326 122.5(9) . . ?
C325 N321 C326 127.4(10) . . ?
N321 N322 C323 110.1(10) . . ?
N321 N322 Co5 137.5(8) . . ?
C323 N322 Co5 112.5(8) . . ?
N322 C323 C312 122.6(12) . . ?
N322 C323 C324 104.7(11) . . ?
C312 C323 C324 131.7(14) . . ?
C325 C324 C323 107.6(13) . . ?
C325 C324 H324 126.2 . . ?
C323 C324 H324 126.2 . . ?
C324 C325 N321 108.1(12) . . ?
C324 C325 H325 126.0 . . ?
N321 C325 H325 126.0 . . ?
N321 C326 C391 116.9(11) . . ?
N321 C326 H32A 108.1 . . ?
C391 C326 H32A 108.1 . . ?
N321 C326 H32B 108.1 . . ?
C391 C326 H32B 108.1 . . ?
H32A C326 H32B 107.3 . . ?
C332 N331 C336 121.3(11) . . ?
C332 N331 Co5 116.0(8) . . ?
C336 N331 Co5 122.1(9) . . ?
C333 C332 N331 122.8(13) . . ?
C333 C332 C343 122.3(13) . . ?
N331 C332 C343 114.7(10) . . ?
C332 C333 C334 117.3(14) . . ?
C332 C333 H333 121.3 . . ?
C334 C333 H333 121.3 . . ?
C335 C334 C333 120.1(13) . . ?
C335 C334 H334 120.0 . . ?
C333 C334 H334 120.0 . . ?
C334 C335 C336 121.3(14) . . ?
C334 C335 H335 119.3 . . ?
C336 C335 H335 119.3 . . ?
N331 C336 C335 117.0(14) . . ?
N331 C336 H336 121.5 . . ?
C335 C336 H336 121.5 . . ?
C345 N341 N342 110.2(9) . . ?
C345 N341 C346 128.4(11) . . ?
N342 N341 C346 120.9(10) . . ?
N341 N342 C343 104.6(10) . . ?
N341 N342 Co5 139.2(7) . . ?
C343 N342 Co5 111.2(8) . . ?
N342 C343 C344 107.7(10) . . ?
N342 C343 C332 118.5(11) . . ?
C344 C343 C332 133.7(11) . . ?
C345 C344 C343 105.9(11) . . ?
C345 C344 H344 127.0 . . ?
C343 C344 H344 127.0 . . ?
C344 C345 N341 111.5(13) . . ?
C344 C345 H345 124.2 . . ?
N341 C345 H345 124.2 . . ?
N341 C346 C392 110.5(9) . . ?
N341 C346 H34A 109.6 . . ?
C392 C346 H34A 109.6 . . ?
N341 C346 H34B 109.6 . . ?
C392 C346 H34B 109.6 . . ?
H34A C346 H34B 108.1 . . ?
C356 N351 C352 114.5(11) . . ?
C356 N351 Co6 128.7(9) . . ?
C352 N351 Co6 116.7(8) . . ?
N351 C352 C353 125.3(12) . . ?
N351 C352 C363 112.6(11) . . ?
C353 C352 C363 122.2(12) . . ?
C352 C353 C354 114.7(13) . . ?
C352 C353 H353 122.6 . . ?
C354 C353 H353 122.6 . . ?
C355 C354 C353 120.4(13) . . ?
C355 C354 H354 119.8 . . ?
C353 C354 H354 119.8 . . ?
C356 C355 C354 119.3(13) . . ?
C356 C355 H355 120.3 . . ?
C354 C355 H355 120.3 . . ?
C355 C356 N351 125.4(14) . . ?
C355 C356 H356 117.3 . . ?
N351 C356 H356 117.3 . . ?
C365 N361 N362 110.1(9) . . ?
C365 N361 C366 130.5(10) . . ?
N362 N361 C366 117.5(8) . . ?
C363 N362 N361 104.8(9) . . ?
C363 N362 Co6 115.5(8) . . ?
N361 N362 Co6 138.9(7) . . ?
N362 C363 C364 110.0(10) . . ?
N362 C363 C352 117.7(11) . . ?
C364 C363 C352 131.8(12) . . ?
C365 C364 C363 104.5(11) . . ?
C365 C364 H364 127.7 . . ?
C363 C364 H364 127.7 . . ?
N361 C365 C364 110.4(11) . . ?
N361 C365 H365 124.8 . . ?
C364 C365 H365 124.8 . . ?
N361 C366 C394 116.5(9) . . ?
N361 C366 H36A 108.2 . . ?
C394 C366 H36A 108.2 . . ?
N361 C366 H36B 108.2 . . ?
C394 C366 H36B 108.2 . . ?
H36A C366 H36B 107.3 . . ?
C2X N1X C6X 120.0 . . ?
C2X N1X Co6 121.5(10) . . ?
C6X N1X Co6 118.3(10) . . ?
C9X C2X N1X 108.2(15) . . ?
C9X C2X C3X 130.9(15) . . ?
N1X C2X C3X 120.0 . . ?
C4X C3X C2X 120.0 . . ?
C4X C3X H3X 120.0 . . ?
C2X C3X H3X 120.0 . . ?
C3X C4X C5X 120.0 . . ?
C3X C4X H4X 120.0 . . ?
C5X C4X H4X 120.0 . . ?
C6X C5X C4X 120.0 . . ?
C6X C5X H5X 120.0 . . ?
C4X C5X H5X 120.0 . . ?
C5X C6X N1X 120.0 . . ?
C5X C6X H6X 120.0 . . ?
N1X C6X H6X 120.0 . . ?
N8X N7X C11X 108.0 . . ?
N8X N7X C12X 134(2) . . ?
C11X N7X C12X 114(2) . . ?
N7X N8X C9X 108.0 . . ?
N7X N8X Co6 137.4(13) . . ?
C9X N8X Co6 114.2(12) . . ?
C2X C9X N8X 121.0(17) . . ?
C2X C9X C10X 127.1(18) . . ?
N8X C9X C10X 108.0 . . ?
C11X C10X C9X 108.0 . . ?
C11X C10X H10X 126.0 . . ?
C9X C10X H10X 126.0 . . ?
C10X C11X N7X 108.0 . . ?
C10X C11X H11X 126.0 . . ?
N7X C11X H11X 126.0 . . ?
N7X C12X C395 104(2) . . ?
N7X C12X H12C 111.0 . . ?
C395 C12X H12C 111.0 . . ?
N7X C12X H12D 111.0 . . ?
C395 C12X H12D 111.0 . . ?
H12C C12X H12D 109.0 . . ?
C2Y N1Y C6Y 120.0 . . ?
C2Y N1Y Co6 111.8(5) . . ?
C6Y N1Y Co6 128.2(5) . . ?
C9Y C2Y C3Y 121.9(8) . . ?
C9Y C2Y N1Y 118.1(8) . . ?
C3Y C2Y N1Y 120.0 . . ?
C4Y C3Y C2Y 120.0 . . ?
C4Y C3Y H3Y 120.0 . . ?
C2Y C3Y H3Y 120.0 . . ?
C3Y C4Y C5Y 120.0 . . ?
C3Y C4Y H4Y 120.0 . . ?
C5Y C4Y H4Y 120.0 . . ?
C6Y C5Y C4Y 120.0 . . ?
C6Y C5Y H5Y 120.0 . . ?
C4Y C5Y H5Y 120.0 . . ?
C5Y C6Y N1Y 120.0 . . ?
C5Y C6Y H6Y 120.0 . . ?
N1Y C6Y H6Y 120.0 . . ?
C11Y N7Y N8Y 108.0 . . ?
C11Y N7Y C12Y 132.0(11) . . ?
N8Y N7Y C12Y 119.9(11) . . ?
C9Y N8Y N7Y 108.0 . . ?
C9Y N8Y Co6 111.1(7) . . ?
N7Y N8Y Co6 135.8(7) . . ?
C2Y C9Y N8Y 117.5(9) . . ?
C2Y C9Y C10Y 134.5(10) . . ?
N8Y C9Y C10Y 108.0 . . ?
C11Y C10Y C9Y 108.0 . . ?
C11Y C10Y H10Y 126.0 . . ?
C9Y C10Y H10Y 126.0 . . ?
C10Y C11Y N7Y 108.0 . . ?
C10Y C11Y H11Y 126.0 . . ?
N7Y C11Y H11Y 126.0 . . ?
N7Y C12Y C395 110.6(14) . . ?
N7Y C12Y H12E 109.5 . . ?
C395 C12Y H12E 109.5 . . ?
N7Y C12Y H12F 109.5 . . ?
C395 C12Y H12F 109.5 . . ?
H12E C12Y H12F 108.1 . . ?
C396 C391 C392 117.3(10) . . ?
C396 C391 C326 112.7(11) . . ?
C392 C391 C326 129.9(10) . . ?
C391 C392 C393 119.2(10) . . ?
C391 C392 C346 126.7(10) . . ?
C393 C392 C346 114.1(10) . . ?
C394 C393 C392 120.8(11) . . ?
C394 C393 H393 119.6 . . ?
C392 C393 H393 119.6 . . ?
C395 C394 C393 119.0(10) . . ?
C395 C394 C366 129.8(9) . . ?
C393 C394 C366 111.2(10) . . ?
C394 C395 C396 118.6(10) . . ?
C394 C395 C12Y 124.8(12) . . ?
C396 C395 C12Y 116.4(13) . . ?
C394 C395 C12X 129.7(18) . . ?
C396 C395 C12X 110.7(19) . . ?
C12Y C395 C12X 14.9(10) . . ?
C391 C396 C395 124.9(12) . . ?
C391 C396 H396 117.5 . . ?
C395 C396 H396 117.5 . . ?
C412 N411 C416 120.0 . . ?
C412 N411 Co5 115.2(5) . . ?
C416 N411 Co5 124.8(5) . . ?
C413 C412 N411 120.0 . . ?
C413 C412 C423 124.6(9) . . ?
N411 C412 C423 115.3(9) . . ?
C414 C413 C412 120.0 . . ?
C414 C413 H413 120.0 . . ?
C412 C413 H413 120.0 . . ?
C413 C414 C415 120.0 . . ?
C413 C414 H414 120.0 . . ?
C415 C414 H414 120.0 . . ?
C416 C415 C414 120.0 . . ?
C416 C415 H415 120.0 . . ?
C414 C415 H415 120.0 . . ?
C415 C416 N411 120.0 . . ?
C415 C416 H416 120.0 . . ?
N411 C416 H416 120.0 . . ?
N422 N421 C425 110.4(12) . . ?
N422 N421 C426 124.0(11) . . ?
C425 N421 C426 125.4(11) . . ?
N421 N422 C423 103.7(11) . . ?
N421 N422 Co5 140.2(9) . . ?
C423 N422 Co5 116.0(9) . . ?
C424 C423 N422 113.8(13) . . ?
C424 C423 C412 129.4(15) . . ?
N422 C423 C412 116.8(13) . . ?
C423 C424 C425 105.1(15) . . ?
C423 C424 H424 127.5 . . ?
C425 C424 H424 127.5 . . ?
N421 C425 C424 107.1(13) . . ?
N421 C425 H425 126.5 . . ?
C424 C425 H425 126.5 . . ?
N421 C426 C491 114.9(10) . . ?
N421 C426 H42A 108.5 . . ?
C491 C426 H42A 108.5 . . ?
N421 C426 H42B 108.5 . . ?
C491 C426 H42B 108.5 . . ?
H42A C426 H42B 107.5 . . ?
C436 N431 C432 118.3(11) . . ?
C436 N431 Co6 126.2(9) . . ?
C432 N431 Co6 115.3(8) . . ?
N431 C432 C433 122.3(11) . . ?
N431 C432 C443 117.9(12) . . ?
C433 C432 C443 119.6(13) . . ?
C434 C433 C432 116.5(13) . . ?
C434 C433 H433 121.7 . . ?
C432 C433 H433 121.7 . . ?
C435 C434 C433 122.2(14) . . ?
C435 C434 H434 118.9 . . ?
C433 C434 H434 118.9 . . ?
C434 C435 C436 118.4(13) . . ?
C434 C435 H435 120.8 . . ?
C436 C435 H435 120.8 . . ?
N431 C436 C435 122.0(13) . . ?
N431 C436 H436 119.0 . . ?
C435 C436 H436 119.0 . . ?
N442 N441 C445 113.6(11) . . ?
N442 N441 C446 120.0(12) . . ?
C445 N441 C446 125.5(11) . . ?
N441 N442 C443 103.8(11) . . ?
N441 N442 Co6 143.9(10) . . ?
C443 N442 Co6 112.3(8) . . ?
C444 C443 N442 111.9(12) . . ?
C444 C443 C432 131.5(15) . . ?
N442 C443 C432 116.5(12) . . ?
C443 C444 C445 105.8(14) . . ?
C443 C444 H444 127.1 . . ?
C445 C444 H444 127.1 . . ?
N441 C445 C444 104.7(11) . . ?
N441 C445 H445 127.6 . . ?
C444 C445 H445 127.6 . . ?
N441 C446 C492 117.6(11) . . ?
N441 C446 H44A 107.9 . . ?
C492 C446 H44A 107.9 . . ?
N441 C446 H44B 107.9 . . ?
C492 C446 H44B 107.9 . . ?
H44A C446 H44B 107.2 . . ?
C456 N451 C452 118.8(15) . . ?
C456 N451 Co4 128.2(10) . . ?
C452 N451 Co4 111.9(11) . . ?
C463 C452 N451 115.7(14) . . ?
C463 C452 C453 121.3(13) . . ?
N451 C452 C453 122.9(16) . . ?
C454 C453 C452 114.5(15) . . ?
C454 C453 H453 122.8 . . ?
C452 C453 H453 122.8 . . ?
C453 C454 C455 124.6(17) . . ?
C453 C454 H454 117.7 . . ?
C455 C454 H454 117.7 . . ?
C454 C455 C456 113.2(18) . . ?
C454 C455 H455 123.4 . . ?
C456 C455 H455 123.4 . . ?
N451 C456 C455 125.7(17) . . ?
N451 C456 H456 117.1 . . ?
C455 C456 H456 117.1 . . ?
C476 N471 C472 119.6(11) . . ?
C476 N471 Co4 124.7(10) . . ?
C472 N471 Co4 115.5(8) . . ?
N471 C472 C473 122.6(12) . . ?
N471 C472 C483 115.2(11) . . ?
C473 C472 C483 122.1(14) . . ?
C472 C473 C474 117.4(14) . . ?
C472 C473 H473 121.3 . . ?
C474 C473 H473 121.3 . . ?
C475 C474 C473 120.2(13) . . ?
C475 C474 H474 119.9 . . ?
C473 C474 H474 119.9 . . ?
C474 C475 C476 120.0(14) . . ?
C474 C475 H475 120.0 . . ?
C476 C475 H475 120.0 . . ?
N471 C476 C475 120.0(14) . . ?
N471 C476 H476 120.0 . . ?
C475 C476 H476 120.0 . . ?
C485 N481 N482 112.0(11) . . ?
C485 N481 C486 126.1(12) . . ?
N482 N481 C486 119.8(12) . . ?
C483 N482 N481 107.2(11) . . ?
C483 N482 Co4 117.5(9) . . ?
N481 N482 Co4 135.3(8) . . ?
N482 C483 C484 108.6(11) . . ?
N482 C483 C472 116.5(13) . . ?
C484 C483 C472 134.8(12) . . ?
C483 C484 C485 106.0(13) . . ?
C483 C484 H484 127.0 . . ?
C485 C484 H484 127.0 . . ?
N481 C485 C484 106.0(13) . . ?
N481 C485 H485 127.0 . . ?
C484 C485 H485 127.0 . . ?
C495 C486 N481 113.9(10) . . ?
C495 C486 H48A 108.8 . . ?
N481 C486 H48A 108.8 . . ?
C495 C486 H48B 108.8 . . ?
N481 C486 H48B 108.8 . . ?
H48A C486 H48B 107.7 . . ?
N462 N461 C465 115.0(14) . . ?
N462 N461 C466 124.9(11) . . ?
C465 N461 C466 119.9(13) . . ?
N461 N462 C463 109.6(11) . . ?
N461 N462 Co4 137.8(10) . . ?
C463 N462 Co4 111.9(10) . . ?
N462 C463 C452 122.3(12) . . ?
N462 C463 C464 107.9(14) . . ?
C452 C463 C464 129.7(14) . . ?
C463 C464 C465 103.3(12) . . ?
C463 C464 H464 128.4 . . ?
C465 C464 H464 128.4 . . ?
N461 C465 C464 102.8(12) . . ?
N461 C465 H465 128.6 . . ?
C464 C465 H465 128.6 . . ?
N461 C466 C494 115.2(10) . . ?
N461 C466 H46A 108.5 . . ?
C494 C466 H46A 108.5 . . ?
N461 C466 H46B 108.5 . . ?
C494 C466 H46B 108.5 . . ?
H46A C466 H46B 107.5 . . ?
C492 C491 C496 123.2(11) . . ?
C492 C491 C426 119.0(11) . . ?
C496 C491 C426 117.0(13) . . ?
C491 C492 C446 123.3(12) . . ?
C491 C492 C493 115.7(11) . . ?
C446 C492 C493 120.6(13) . . ?
C494 C493 C492 124.0(13) . . ?
C494 C493 H493 118.0 . . ?
C492 C493 H493 118.0 . . ?
C493 C494 C495 119.2(12) . . ?
C493 C494 C466 115.8(11) . . ?
C495 C494 C466 124.9(10) . . ?
C494 C495 C486 129.8(11) . . ?
C494 C495 C496 118.0(11) . . ?
C486 C495 C496 111.9(11) . . ?
C491 C496 C495 118.9(13) . . ?
C491 C496 H496 120.6 . . ?
C495 C496 H496 120.6 . . ?
F14X B11X F12X 112.5(15) . . ?
F14X B11X F15X 108.3(14) . . ?
F12X B11X F15X 107.8(14) . . ?
F14X B11X F13X 108.7(14) . . ?
F12X B11X F13X 108.0(14) . . ?
F15X B11X F13X 111.7(15) . . ?
F14Y B11Y F12Y 109.3(15) . . ?
F14Y B11Y F13Y 109.5(15) . . ?
F12Y B11Y F13Y 109.4(15) . . ?
F14Y B11Y F15Y 109.5(15) . . ?
F12Y B11Y F15Y 109.1(15) . . ?
F13Y B11Y F15Y 110.0(15) . . ?
F14Z B11Z F12Z 108.9(15) . . ?
F14Z B11Z F13Z 110.5(15) . . ?
F12Z B11Z F13Z 110.0(15) . . ?
F14Z B11Z F15Z 109.1(15) . . ?
F12Z B11Z F15Z 108.8(15) . . ?
F13Z B11Z F15Z 109.5(15) . . ?
F24X B21X F25X 108.7(15) . . ?
F24X B21X F22X 110.1(15) . . ?
F25X B21X F22X 109.5(15) . . ?
F24X B21X F23X 110.2(15) . . ?
F25X B21X F23X 108.9(15) . . ?
F22X B21X F23X 109.4(15) . . ?
F25Y B21Y F22Y 109.6(15) . . ?
F25Y B21Y F23Y 109.6(15) . . ?
F22Y B21Y F23Y 109.6(15) . . ?
F25Y B21Y F24Y 109.4(15) . . ?
F22Y B21Y F24Y 110.0(15) . . ?
F23Y B21Y F24Y 108.6(15) . . ?
F25Z B21Z F23Z 112.4(15) . . ?
F25Z B21Z F22Z 108.9(14) . . ?
F23Z B21Z F22Z 110.0(14) . . ?
F25Z B21Z F24Z 110.0(14) . . ?
F23Z B21Z F24Z 105.6(14) . . ?
F22Z B21Z F24Z 109.9(14) . . ?
F34X B31X F33X 109.7(14) . . ?
F34X B31X F32X 109.7(14) . . ?
F33X B31X F32X 110.1(14) . . ?
F34X B31X F35X 110.1(14) . . ?
F33X B31X F35X 108.8(14) . . ?
F32X B31X F35X 108.4(14) . . ?
F34Y B31Y F35Y 109.3(15) . . ?
F34Y B31Y F33Y 109.3(15) . . ?
F35Y B31Y F33Y 109.8(15) . . ?
F34Y B31Y F32Y 109.3(15) . . ?
F35Y B31Y F32Y 109.5(15) . . ?
F33Y B31Y F32Y 109.6(15) . . ?
F35Z B31Z F33Z 110.1(14) . . ?
F35Z B31Z F34Z 109.8(14) . . ?
F33Z B31Z F34Z 110.3(14) . . ?
F35Z B31Z F32Z 110.0(14) . . ?
F33Z B31Z F32Z 107.8(13) . . ?
F34Z B31Z F32Z 108.8(14) . . ?
F45X B41X F44X 109.5(15) . . ?
F45X B41X F42X 109.7(15) . . ?
F44X B41X F42X 109.5(15) . . ?
F45X B41X F43X 109.4(15) . . ?
F44X B41X F43X 109.6(15) . . ?
F42X B41X F43X 109.2(15) . . ?
F42Y B41Y F44Y 109.6(14) . . ?
F42Y B41Y F43Y 110.4(15) . . ?
F44Y B41Y F43Y 108.8(14) . . ?
F42Y B41Y F45Y 110.3(14) . . ?
F44Y B41Y F45Y 110.8(15) . . ?
F43Y B41Y F45Y 106.8(14) . . ?
F52Y B51 F55Y 111.5(12) . . ?
F52Y B51 F54X 130.9(13) . . ?
F55Y B51 F54X 110.3(15) . . ?
F52Y B51 F53Y 109.2(11) . . ?
F55Y B51 F53Y 109.6(11) . . ?
F54X B51 F53Y 79.2(11) . . ?
F52Y B51 F55X 103.7(15) . . ?
F55Y B51 F55X 12.6(14) . . ?
F54X B51 F55X 111.9(12) . . ?
F53Y B51 F55X 122.2(15) . . ?
F52Y B51 F54Y 109.9(11) . . ?
F55Y B51 F54Y 107.6(11) . . ?
F54X B51 F54Y 31.4(9) . . ?
F53Y B51 F54Y 109.1(11) . . ?
F55X B51 F54Y 102.3(14) . . ?
F52Y B51 F53X 88.7(12) . . ?
F55Y B51 F53X 99.0(14) . . ?
F54X B51 F53X 109.0(11) . . ?
F53Y B51 F53X 29.8(9) . . ?
F55X B51 F53X 109.4(12) . . ?
F54Y B51 F53X 138.1(13) . . ?
F52Y B51 F52X 23.8(10) . . ?
F55Y B51 F52X 120.7(15) . . ?
F54X B51 F52X 109.4(11) . . ?
F53Y B51 F52X 119.8(14) . . ?
F55X B51 F52X 109.5(12) . . ?
F54Y B51 F52X 86.1(12) . . ?
F53X B51 F52X 107.5(11) . . ?
F65Y B61 F62 115.5(11) . . ?
F65Y B61 F64X 120.0(14) . . ?
F62 B61 F64X 114.7(11) . . ?
F65Y B61 F63X 81.5(10) . . ?
F62 B61 F63X 110.6(10) . . ?
F64X B61 F63X 109.1(11) . . ?
F65Y B61 F64Y 109.0(11) . . ?
F62 B61 F64Y 107.7(10) . . ?
F64X B61 F64Y 23.2(9) . . ?
F63X B61 F64Y 130.3(13) . . ?
F65Y B61 F63Y 109.2(11) . . ?
F62 B61 F63Y 108.8(10) . . ?
F64X B61 F63Y 83.1(10) . . ?
F63X B61 F63Y 31.0(8) . . ?
F64Y B61 F63Y 106.2(11) . . ?
F65Y B61 F65X 24.1(9) . . ?
F62 B61 F65X 108.5(10) . . ?
F64X B61 F65X 108.1(11) . . ?
F63X B61 F65X 105.4(10) . . ?
F64Y B61 F65X 90.9(11) . . ?
F63Y B61 F65X 131.2(12) . . ?
F75 B71 F74 115.3(13) . . ?
F75 B71 F73 110.8(12) . . ?
F74 B71 F73 109.0(12) . . ?
F75 B71 F72 105.5(12) . . ?
F74 B71 F72 105.9(12) . . ?
F73 B71 F72 110.3(12) . . ?
F83 B81 F84 109.9(15) . . ?
F83 B81 F85 109.5(15) . . ?
F84 B81 F85 109.0(15) . . ?
F83 B81 F82 108.5(15) . . ?
F84 B81 F82 109.8(15) . . ?
F85 B81 F82 110.1(15) . . ?
F92 B91 F94 109.2(15) . . ?
F92 B91 F93 110.0(15) . . ?
F94 B91 F93 109.8(15) . . ?
F92 B91 F95 109.1(15) . . ?
F94 B91 F95 108.9(15) . . ?
F93 B91 F95 109.8(15) . . ?
F103 B101 F103 147(3) 2 . ?
F103 B101 F102 106.3(14) 2 . ?
F103 B101 F102 106.3(14) . . ?
F103 B101 F105 38.6(16) 2 2 ?
F103 B101 F105 131.4(18) . 2 ?
F102 B101 F105 102.4(14) . 2 ?
F103 B101 F105 131.4(18) 2 . ?
F103 B101 F105 38.6(16) . . ?
F102 B101 F105 102.4(14) . . ?
F105 B101 F105 155(3) 2 . ?
F103 B101 F104 49.2(15) 2 2 ?
F103 B101 F104 122.2(18) . 2 ?
F102 B101 F104 102.4(13) . 2 ?
F105 B101 F104 87.8(17) 2 2 ?
F105 B101 F104 86.9(17) . 2 ?
F103 B101 F104 122.2(18) 2 . ?
F103 B101 F104 49.2(15) . . ?
F102 B101 F104 102.4(13) . . ?
F105 B101 F104 86.9(17) 2 . ?
F105 B101 F104 87.8(17) . . ?
F104 B101 F104 155(3) 2 . ?
F112 B111 F115 110.0(15) . . ?
F112 B111 F114 110.0(15) . . ?
F115 B111 F114 109.6(15) . . ?
F112 B111 F113 108.6(15) . . ?
F115 B111 F113 110.0(15) . . ?
F114 B111 F113 108.6(15) . . ?
F124 B121 F125 110.2(15) . . ?
F124 B121 F123 108.8(15) . . ?
F125 B121 F123 109.7(15) . . ?
F124 B121 F122 110.1(15) . . ?
F125 B121 F122 108.9(15) . . ?
F123 B121 F122 109.0(15) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 N122 2.128(10) . ?
Co1 N131 2.133(10) . ?
Co1 N211 2.150(11) . ?
Co1 N111 2.163(11) . ?
Co1 N142 2.167(11) . ?
Co1 N222 2.180(11) . ?
Co2 N162 2.102(9) . ?
Co2 N171 2.123(8) . ?
Co2 N242 2.135(11) . ?
Co2 N231 2.149(6) . ?
Co2 N151 2.158(10) . ?
Co2 N182 2.171(8) . ?
Co3 F2 2.052(6) . ?
Co3 F1 2.058(5) . ?
Co3 N262 2.096(8) . ?
Co3 N271 2.127(6) . ?
Co3 N251 2.184(9) . ?
Co3 N282 2.190(9) . ?
Co4 F1 2.035(6) . ?
Co4 F2 2.046(6) . ?
Co4 N482 2.093(12) . ?
Co4 N462 2.120(11) . ?
Co4 N471 2.167(9) . ?
Co4 N451 2.208(13) . ?
Co5 N422 2.128(11) . ?
Co5 N322 2.137(10) . ?
Co5 N331 2.150(10) . ?
Co5 N342 2.153(10) . ?
Co5 N411 2.160(7) . ?
Co5 N311 2.182(11) . ?
Co6 N362 2.103(10) . ?
Co6 N8Y 2.111(6) . ?
Co6 N8X 2.113(7) . ?
Co6 N351 2.126(10) . ?
Co6 N431 2.134(9) . ?
Co6 N1Y 2.147(6) . ?
Co6 N1X 2.148(6) . ?
Co6 N442 2.186(11) . ?
N111 C112 1.279(16) . ?
N111 C116 1.379(18) . ?
C112 C113 1.39(2) . ?
C112 C123 1.50(2) . ?
C113 C114 1.47(2) . ?
C113 H113 0.9500 . ?
C114 C115 1.31(2) . ?
C114 H114 0.9500 . ?
C115 C116 1.342(19) . ?
C115 H115 0.9500 . ?
C116 H116 0.9500 . ?
N121 N122 1.344(15) . ?
N121 C125 1.370(16) . ?
N121 C126 1.440(17) . ?
N122 C123 1.293(17) . ?
C123 C124 1.440(19) . ?
C124 C125 1.32(2) . ?
C124 H124 0.9500 . ?
C125 H125 0.9500 . ?
C126 C191 1.482(16) . ?
C126 H12A 0.9900 . ?
C126 H12B 0.9900 . ?
N131 C132 1.308(18) . ?
N131 C136 1.332(17) . ?
C132 C133 1.391(19) . ?
C132 C143 1.49(2) . ?
C133 C134 1.43(2) . ?
C133 H133 0.9500 . ?
C134 C135 1.35(2) . ?
C134 H134 0.9500 . ?
C135 C136 1.338(19) . ?
C135 H135 0.9500 . ?
C136 H136 0.9500 . ?
N141 C145 1.334(17) . ?
N141 N142 1.352(15) . ?
N141 C146 1.450(16) . ?
N142 C143 1.334(17) . ?
C143 C144 1.37(2) . ?
C144 C145 1.29(2) . ?
C144 H144 0.9500 . ?
C145 H145 0.9500 . ?
C146 C192 1.479(18) . ?
C146 H14A 0.9900 . ?
C146 H14B 0.9900 . ?
N151 C156 1.320(17) . ?
N151 C152 1.333(15) . ?
C152 C153 1.403(19) . ?
C152 C163 1.436(18) . ?
C153 C154 1.41(2) . ?
C153 H153 0.9500 . ?
C154 C155 1.38(2) . ?
C154 H154 0.9500 . ?
C155 C156 1.40(2) . ?
C155 H155 0.9500 . ?
C156 H156 0.9500 . ?
N161 C166 1.380(14) . ?
N161 C165 1.402(14) . ?
N161 N162 1.421(13) . ?
N162 C163 1.310(15) . ?
C163 C164 1.450(16) . ?
C164 C165 1.343(17) . ?
C164 H164 0.9500 . ?
C165 H165 0.9500 . ?
C166 C194 1.560(15) . ?
C166 H16A 0.9900 . ?
C166 H16B 0.9900 . ?
N171 C172 1.321(13) . ?
N171 C176 1.386(14) . ?
C172 C173 1.351(15) . ?
C172 C183 1.474(15) . ?
C173 C174 1.399(16) . ?
C173 H173 0.9500 . ?
C174 C175 1.402(15) . ?
C174 H174 0.9500 . ?
C175 C176 1.308(15) . ?
C175 H175 0.9500 . ?
C176 H176 0.9500 . ?
N181 N182 1.332(12) . ?
N181 C185 1.350(15) . ?
N181 C186 1.464(13) . ?
N182 C183 1.332(13) . ?
C183 C184 1.386(15) . ?
C184 C185 1.407(17) . ?
C184 H184 0.9500 . ?
C185 H185 0.9500 . ?
C186 C195 1.478(16) . ?
C186 H18A 0.9900 . ?
C186 H18B 0.9900 . ?
C191 C196 1.424(17) . ?
C191 C192 1.426(17) . ?
C192 C193 1.395(16) . ?
C193 C194 1.401(16) . ?
C193 H193 0.9500 . ?
C194 C195 1.370(15) . ?
C195 C196 1.421(15) . ?
C196 H196 0.9500 . ?
N211 C212 1.385(18) . ?
N211 C216 1.397(17) . ?
C212 C223 1.386(19) . ?
C212 C213 1.43(2) . ?
C213 C214 1.34(2) . ?
C213 H213 0.9500 . ?
C214 C215 1.36(2) . ?
C214 H214 0.9500 . ?
C215 C216 1.39(2) . ?
C215 H215 0.9500 . ?
C216 H216 0.9500 . ?
N221 C225 1.276(16) . ?
N221 N222 1.382(14) . ?
N221 C226 1.459(15) . ?
N222 C223 1.359(17) . ?
C223 C224 1.356(18) . ?
C224 C225 1.441(19) . ?
C224 H224 0.9500 . ?
C225 H225 0.9500 . ?
C226 C291 1.467(15) . ?
C226 H22A 0.9900 . ?
C226 H22B 0.9900 . ?
N231 C232 1.3900 . ?
N231 C236 1.3900 . ?
C232 C243 1.323(18) . ?
C232 C233 1.3900 . ?
C233 C234 1.3900 . ?
C233 H233 0.9500 . ?
C234 C235 1.3900 . ?
C234 H234 0.9500 . ?
C235 C236 1.3900 . ?
C235 H235 0.9500 . ?
C236 H236 0.9500 . ?
N241 C245 1.287(16) . ?
N241 N242 1.349(15) . ?
N241 C246 1.443(16) . ?
N242 C243 1.360(15) . ?
C243 C244 1.47(2) . ?
C244 C245 1.31(2) . ?
C244 H244 0.9500 . ?
C245 H245 0.9500 . ?
C246 C292 1.505(15) . ?
C246 H24A 0.9900 . ?
C246 H24B 0.9900 . ?
N251 C252 1.282(15) . ?
N251 C256 1.341(16) . ?
C252 C253 1.458(18) . ?
C252 C263 1.493(16) . ?
C253 C254 1.37(2) . ?
C253 H253 0.9500 . ?
C254 C255 1.31(2) . ?
C254 H254 0.9500 . ?
C255 C256 1.45(2) . ?
C255 H255 0.9500 . ?
C256 H256 0.9500 . ?
N261 N262 1.366(11) . ?
N261 C265 1.367(14) . ?
N261 C266 1.440(13) . ?
N262 C263 1.294(14) . ?
C263 C264 1.391(16) . ?
C264 C265 1.341(16) . ?
C264 H264 0.9500 . ?
C265 H265 0.9500 . ?
C266 C294 1.465(14) . ?
C266 H26A 0.9900 . ?
C266 H26B 0.9900 . ?
N271 C272 1.3900 . ?
N271 C276 1.3900 . ?
C272 C273 1.3900 . ?
C272 C283 1.445(14) . ?
C273 C274 1.3900 . ?
C273 H273 0.9500 . ?
C274 C275 1.3900 . ?
C274 H274 0.9500 . ?
C275 C276 1.3900 . ?
C275 H275 0.9500 . ?
C276 H276 0.9500 . ?
N281 N282 1.335(12) . ?
N281 C285 1.340(14) . ?
N281 C286 1.511(14) . ?
N282 C283 1.271(14) . ?
C283 C284 1.400(18) . ?
C284 C285 1.310(17) . ?
C284 H284 0.9500 . ?
C285 H285 0.9500 . ?
C286 C295 1.500(14) . ?
C286 H28A 0.9900 . ?
C286 H28B 0.9900 . ?
C291 C296 1.412(15) . ?
C291 C292 1.447(15) . ?
C292 C293 1.338(14) . ?
C293 C294 1.463(14) . ?
C293 H293 0.9500 . ?
C294 C295 1.434(14) . ?
C295 C296 1.373(14) . ?
C296 H296 0.9500 . ?
N311 C312 1.352(17) . ?
N311 C316 1.391(17) . ?
C312 C313 1.37(2) . ?
C312 C323 1.393(19) . ?
C313 C314 1.33(2) . ?
C313 H313 0.9500 . ?
C314 C315 1.41(2) . ?
C314 H314 0.9500 . ?
C315 C316 1.26(2) . ?
C315 H315 0.9500 . ?
C316 H316 0.9500 . ?
N321 N322 1.309(13) . ?
N321 C325 1.393(17) . ?
N321 C326 1.452(16) . ?
N322 C323 1.312(17) . ?
C323 C324 1.487(19) . ?
C324 C325 1.263(19) . ?
C324 H324 0.9500 . ?
C325 H325 0.9500 . ?
C326 C391 1.528(16) . ?
C326 H32A 0.9900 . ?
C326 H32B 0.9900 . ?
N331 C332 1.341(17) . ?
N331 C336 1.361(17) . ?
C332 C333 1.324(17) . ?
C332 C343 1.435(18) . ?
C333 C334 1.43(2) . ?
C333 H333 0.9500 . ?
C334 C335 1.32(2) . ?
C334 H334 0.9500 . ?
C335 C336 1.404(18) . ?
C335 H335 0.9500 . ?
C336 H336 0.9500 . ?
N341 C345 1.318(16) . ?
N341 N342 1.363(14) . ?
N341 C346 1.474(14) . ?
N342 C343 1.388(14) . ?
C343 C344 1.418(18) . ?
C344 C345 1.298(17) . ?
C344 H344 0.9500 . ?
C345 H345 0.9500 . ?
C346 C392 1.500(15) . ?
C346 H34A 0.9900 . ?
C346 H34B 0.9900 . ?
N351 C356 1.336(15) . ?
N351 C352 1.371(17) . ?
C352 C353 1.386(18) . ?
C352 C363 1.490(18) . ?
C353 C354 1.403(19) . ?
C353 H353 0.9500 . ?
C354 C355 1.37(2) . ?
C354 H354 0.9500 . ?
C355 C356 1.319(19) . ?
C355 H355 0.9500 . ?
C356 H356 0.9500 . ?
N361 C365 1.319(15) . ?
N361 N362 1.351(12) . ?
N361 C366 1.500(13) . ?
N362 C363 1.349(15) . ?
C363 C364 1.393(17) . ?
C364 C365 1.326(17) . ?
C364 H364 0.9500 . ?
C365 H365 0.9500 . ?
C366 C394 1.521(16) . ?
C366 H36A 0.9900 . ?
C366 H36B 0.9900 . ?
N1X C2X 1.3900 . ?
N1X C6X 1.3900 . ?
C2X C9X 1.365(11) . ?
C2X C3X 1.3900 . ?
C3X C4X 1.3900 . ?
C3X H3X 0.9500 . ?
C4X C5X 1.3900 . ?
C4X H4X 0.9500 . ?
C5X C6X 1.3900 . ?
C5X H5X 0.9500 . ?
C6X H6X 0.9500 . ?
N7X N8X 1.4200 . ?
N7X C11X 1.4200 . ?
N7X C12X 1.484(17) . ?
N8X C9X 1.4200 . ?
C9X C10X 1.4200 . ?
C10X C11X 1.4200 . ?
C10X H10X 0.9500 . ?
C11X H11X 0.9500 . ?
C12X C395 1.68(4) . ?
C12X H12C 0.9900 . ?
C12X H12D 0.9900 . ?
N1Y C2Y 1.3900 . ?
N1Y C6Y 1.3900 . ?
C2Y C9Y 1.366(11) . ?
C2Y C3Y 1.3900 . ?
C3Y C4Y 1.3900 . ?
C3Y H3Y 0.9500 . ?
C4Y C5Y 1.3900 . ?
C4Y H4Y 0.9500 . ?
C5Y C6Y 1.3900 . ?
C5Y H5Y 0.9500 . ?
C6Y H6Y 0.9500 . ?
N7Y C11Y 1.4200 . ?
N7Y N8Y 1.4200 . ?
N7Y C12Y 1.484(17) . ?
N8Y C9Y 1.4200 . ?
C9Y C10Y 1.4200 . ?
C10Y C11Y 1.4200 . ?
C10Y H10Y 0.9500 . ?
C11Y H11Y 0.9500 . ?
C12Y C395 1.54(2) . ?
C12Y H12E 0.9900 . ?
C12Y H12F 0.9900 . ?
C391 C396 1.338(16) . ?
C391 C392 1.406(17) . ?
C392 C393 1.419(15) . ?
C393 C394 1.403(15) . ?
C393 H393 0.9500 . ?
C394 C395 1.359(16) . ?
C395 C396 1.405(16) . ?
C396 H396 0.9500 . ?
N411 C412 1.3900 . ?
N411 C416 1.3900 . ?
C412 C413 1.3900 . ?
C412 C423 1.434(15) . ?
C413 C414 1.3900 . ?
C413 H413 0.9500 . ?
C414 C415 1.3900 . ?
C414 H414 0.9500 . ?
C415 C416 1.3900 . ?
C415 H415 0.9500 . ?
C416 H416 0.9500 . ?
N421 N422 1.351(14) . ?
N421 C425 1.371(18) . ?
N421 C426 1.422(17) . ?
N422 C423 1.379(18) . ?
C423 C424 1.31(2) . ?
C424 C425 1.40(2) . ?
C424 H424 0.9500 . ?
C425 H425 0.9500 . ?
C426 C491 1.551(17) . ?
C426 H42A 0.9900 . ?
C426 H42B 0.9900 . ?
N431 C436 1.327(15) . ?
N431 C432 1.346(16) . ?
C432 C433 1.403(19) . ?
C432 C443 1.435(18) . ?
C433 C434 1.379(19) . ?
C433 H433 0.9500 . ?
C434 C435 1.316(18) . ?
C434 H434 0.9500 . ?
C435 C436 1.408(18) . ?
C435 H435 0.9500 . ?
C436 H436 0.9500 . ?
N441 N442 1.361(14) . ?
N441 C445 1.375(18) . ?
N441 C446 1.406(18) . ?
N442 C443 1.405(18) . ?
C443 C444 1.367(18) . ?
C444 C445 1.46(2) . ?
C444 H444 0.9500 . ?
C445 H445 0.9500 . ?
C446 C492 1.477(18) . ?
C446 H44A 0.9900 . ?
C446 H44B 0.9900 . ?
N451 C456 1.30(2) . ?
N451 C452 1.367(18) . ?
C452 C463 1.36(2) . ?
C452 C453 1.44(2) . ?
C453 C454 1.39(2) . ?
C453 H453 0.9500 . ?
C454 C455 1.42(2) . ?
C454 H454 0.9500 . ?
C455 C456 1.42(2) . ?
C455 H455 0.9500 . ?
C456 H456 0.9500 . ?
N471 C476 1.306(17) . ?
N471 C472 1.350(17) . ?
C472 C473 1.381(17) . ?
C472 C483 1.404(18) . ?
C473 C474 1.40(2) . ?
C473 H473 0.9500 . ?
C474 C475 1.31(2) . ?
C474 H474 0.9500 . ?
C475 C476 1.443(18) . ?
C475 H475 0.9500 . ?
C476 H476 0.9500 . ?
N481 C485 1.318(18) . ?
N481 N482 1.357(15) . ?
N481 C486 1.502(16) . ?
N482 C483 1.350(16) . ?
C483 C484 1.390(19) . ?
C484 C485 1.429(19) . ?
C484 H484 0.9500 . ?
C485 H485 0.9500 . ?
C486 C495 1.489(18) . ?
C486 H48A 0.9900 . ?
C486 H48B 0.9900 . ?
N461 N462 1.314(16) . ?
N461 C465 1.332(17) . ?
N461 C466 1.410(18) . ?
N462 C463 1.358(17) . ?
C463 C464 1.440(19) . ?
C464 C465 1.54(2) . ?
C464 H464 0.9500 . ?
C465 H465 0.9500 . ?
C466 C494 1.601(18) . ?
C466 H46A 0.9900 . ?
C466 H46B 0.9900 . ?
C491 C492 1.356(19) . ?
C491 C496 1.417(18) . ?
C492 C493 1.477(18) . ?
C493 C494 1.376(17) . ?
C493 H493 0.9500 . ?
C494 C495 1.399(18) . ?
C495 C496 1.494(18) . ?
C496 H496 0.9500 . ?
B11X F14X 1.326(18) . ?
B11X F12X 1.354(18) . ?
B11X F15X 1.364(18) . ?
B11X F13X 1.365(19) . ?
B11Y F14Y 1.39(2) . ?
B11Y F12Y 1.39(2) . ?
B11Y F13Y 1.39(2) . ?
B11Y F15Y 1.39(2) . ?
B11Z F14Z 1.355(19) . ?
B11Z F12Z 1.359(19) . ?
B11Z F13Z 1.362(19) . ?
B11Z F15Z 1.371(19) . ?
B21X F24X 1.35(2) . ?
B21X F25X 1.36(2) . ?
B21X F22X 1.36(2) . ?
B21X F23X 1.36(2) . ?
B21Y F25Y 1.36(2) . ?
B21Y F22Y 1.36(2) . ?
B21Y F23Y 1.37(2) . ?
B21Y F24Y 1.37(2) . ?
B21Z F25Z 1.336(18) . ?
B21Z F23Z 1.351(18) . ?
B21Z F22Z 1.374(18) . ?
B21Z F24Z 1.383(18) . ?
B31X F34X 1.372(18) . ?
B31X F33X 1.377(19) . ?
B31X F32X 1.380(18) . ?
B31X F35X 1.383(18) . ?
B31Y F34Y 1.38(2) . ?
B31Y F35Y 1.38(2) . ?
B31Y F33Y 1.38(2) . ?
B31Y F32Y 1.38(2) . ?
B31Z F35Z 1.370(18) . ?
B31Z F33Z 1.374(18) . ?
B31Z F34Z 1.375(18) . ?
B31Z F32Z 1.382(18) . ?
B41X F45X 1.38(2) . ?
B41X F44X 1.38(2) . ?
B41X F42X 1.38(2) . ?
B41X F43X 1.38(2) . ?
B41Y F42Y 1.357(19) . ?
B41Y F44Y 1.361(19) . ?
B41Y F43Y 1.368(19) . ?
B41Y F45Y 1.374(19) . ?
B51 F52Y 1.368(15) . ?
B51 F55Y 1.380(16) . ?
B51 F54X 1.382(16) . ?
B51 F53Y 1.384(15) . ?
B51 F55X 1.386(16) . ?
B51 F54Y 1.402(15) . ?
B51 F53X 1.404(16) . ?
B51 F52X 1.408(16) . ?
B61 F65Y 1.353(13) . ?
B61 F62 1.363(13) . ?
B61 F64X 1.367(13) . ?
B61 F63X 1.388(13) . ?
B61 F64Y 1.396(13) . ?
B61 F63Y 1.411(13) . ?
B61 F65X 1.421(13) . ?
B71 F75 1.348(15) . ?
B71 F74 1.357(15) . ?
B71 F73 1.378(15) . ?
B71 F72 1.407(16) . ?
B81 F83 1.38(2) . ?
B81 F84 1.38(2) . ?
B81 F85 1.38(2) . ?
B81 F82 1.38(2) . ?
B91 F92 1.358(19) . ?
B91 F94 1.361(19) . ?
B91 F93 1.361(19) . ?
B91 F95 1.370(19) . ?
B101 F103 1.357(16) 2 ?
B101 F103 1.357(16) . ?
B101 F102 1.393(19) . ?
B101 F105 1.407(16) 2 ?
B101 F105 1.407(16) . ?
B101 F104 1.439(16) 2 ?
B101 F104 1.439(16) . ?
B111 F112 1.37(2) . ?
B111 F115 1.37(2) . ?
B111 F114 1.38(2) . ?
B111 F113 1.38(2) . ?
B121 F124 1.35(2) . ?
B121 F125 1.37(2) . ?
B121 F123 1.37(2) . ?
B121 F122 1.38(2) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
F2 Co4 F1 Co3 -14.2(3) . . . . ?
N482 Co4 F1 Co3 74.9(3) . . . . ?
N462 Co4 F1 Co3 -88.4(10) . . . . ?
N471 Co4 F1 Co3 148.8(4) . . . . ?
N451 Co4 F1 Co3 -107.0(4) . . . . ?
F2 Co3 F1 Co4 14.2(3) . . . . ?
N262 Co3 F1 Co4 -89.1(3) . . . . ?
N271 Co3 F1 Co4 103.1(3) . . . . ?
N251 Co3 F1 Co4 -33.1(10) . . . . ?
N282 Co3 F1 Co4 178.6(3) . . . . ?
F1 Co4 F2 Co3 14.2(3) . . . . ?
N482 Co4 F2 Co3 -88.1(4) . . . . ?
N462 Co4 F2 Co3 175.7(4) . . . . ?
N471 Co4 F2 Co3 -39.6(12) . . . . ?
N451 Co4 F2 Co3 99.1(4) . . . . ?
F1 Co3 F2 Co4 -14.1(3) . . . . ?
N262 Co3 F2 Co4 77.2(4) . . . . ?
N271 Co3 F2 Co4 -108.7(4) . . . . ?
N251 Co3 F2 Co4 150.8(4) . . . . ?
N282 Co3 F2 Co4 -70.8(9) . . . . ?
N122 Co1 N111 C112 -9.8(9) . . . . ?
N131 Co1 N111 C112 -175.2(10) . . . . ?
N211 Co1 N111 C112 84.9(10) . . . . ?
N142 Co1 N111 C112 -100.3(10) . . . . ?
N222 Co1 N111 C112 71(2) . . . . ?
N122 Co1 N111 C116 171.8(11) . . . . ?
N131 Co1 N111 C116 6.5(11) . . . . ?
N211 Co1 N111 C116 -93.5(10) . . . . ?
N142 Co1 N111 C116 81.4(10) . . . . ?
N222 Co1 N111 C116 -107.5(19) . . . . ?
C116 N111 C112 C113 -1(2) . . . . ?
Co1 N111 C112 C113 -179.9(12) . . . . ?
C116 N111 C112 C123 -174.6(11) . . . . ?
Co1 N111 C112 C123 6.9(15) . . . . ?
N111 C112 C113 C114 2(2) . . . . ?
C123 C112 C113 C114 175.4(13) . . . . ?
C112 C113 C114 C115 1(2) . . . . ?
C113 C114 C115 C116 -5(2) . . . . ?
C114 C115 C116 N111 6(2) . . . . ?
C112 N111 C116 C115 -2.8(19) . . . . ?
Co1 N111 C116 C115 175.5(10) . . . . ?
C125 N121 N122 C123 0.8(15) . . . . ?
C126 N121 N122 C123 -171.5(12) . . . . ?
C125 N121 N122 Co1 179.5(10) . . . . ?
C126 N121 N122 Co1 7.2(19) . . . . ?
N131 Co1 N122 C123 79.0(18) . . . . ?
N211 Co1 N122 C123 -78.7(10) . . . . ?
N111 Co1 N122 C123 11.3(9) . . . . ?
N142 Co1 N122 C123 99.4(10) . . . . ?
N222 Co1 N122 C123 -155.1(9) . . . . ?
N131 Co1 N122 N121 -99.7(19) . . . . ?
N211 Co1 N122 N121 102.6(12) . . . . ?
N111 Co1 N122 N121 -167.4(12) . . . . ?
N142 Co1 N122 N121 -79.3(12) . . . . ?
N222 Co1 N122 N121 26.3(12) . . . . ?
N121 N122 C123 C124 1.1(15) . . . . ?
Co1 N122 C123 C124 -177.9(9) . . . . ?
N121 N122 C123 C112 167.2(11) . . . . ?
Co1 N122 C123 C112 -11.8(15) . . . . ?
N111 C112 C123 N122 3.3(18) . . . . ?
C113 C112 C123 N122 -170.5(13) . . . . ?
N111 C112 C123 C124 165.2(14) . . . . ?
C113 C112 C123 C124 -9(2) . . . . ?
N122 C123 C124 C125 -2.6(17) . . . . ?
C112 C123 C124 C125 -165.9(15) . . . . ?
C123 C124 C125 N121 3.1(17) . . . . ?
N122 N121 C125 C124 -2.5(16) . . . . ?
C126 N121 C125 C124 169.1(14) . . . . ?
N122 N121 C126 C191 85.2(15) . . . . ?
C125 N121 C126 C191 -85.3(18) . . . . ?
N122 Co1 N131 C132 17(2) . . . . ?
N211 Co1 N131 C132 174.5(10) . . . . ?
N111 Co1 N131 C132 82.0(10) . . . . ?
N142 Co1 N131 C132 -4.0(9) . . . . ?
N222 Co1 N131 C132 -110.4(10) . . . . ?
N122 Co1 N131 C136 -172.5(13) . . . . ?
N211 Co1 N131 C136 -15.0(10) . . . . ?
N111 Co1 N131 C136 -107.6(10) . . . . ?
N142 Co1 N131 C136 166.4(11) . . . . ?
N222 Co1 N131 C136 60.0(10) . . . . ?
C136 N131 C132 C133 3(2) . . . . ?
Co1 N131 C132 C133 173.7(11) . . . . ?
C136 N131 C132 C143 -174.5(12) . . . . ?
Co1 N131 C132 C143 -3.6(16) . . . . ?
N131 C132 C133 C134 1(2) . . . . ?
C143 C132 C133 C134 178.5(13) . . . . ?
C132 C133 C134 C135 -4(2) . . . . ?
C133 C134 C135 C136 3(2) . . . . ?
C132 N131 C136 C135 -4(2) . . . . ?
Co1 N131 C136 C135 -174.6(10) . . . . ?
C134 C135 C136 N131 2(2) . . . . ?
C145 N141 N142 C143 -3.4(14) . . . . ?
C146 N141 N142 C143 -172.4(11) . . . . ?
C145 N141 N142 Co1 -158.1(11) . . . . ?
C146 N141 N142 Co1 32.9(18) . . . . ?
N122 Co1 N142 C143 -162.5(10) . . . . ?
N131 Co1 N142 C143 11.9(10) . . . . ?
N211 Co1 N142 C143 -4(5) . . . . ?
N111 Co1 N142 C143 -86.7(10) . . . . ?
N222 Co1 N142 C143 95.5(10) . . . . ?
N122 Co1 N142 N141 -10.1(12) . . . . ?
N131 Co1 N142 N141 164.3(13) . . . . ?
N211 Co1 N142 N141 149(4) . . . . ?
N111 Co1 N142 N141 65.7(12) . . . . ?
N222 Co1 N142 N141 -112.1(12) . . . . ?
N141 N142 C143 C144 1.7(16) . . . . ?
Co1 N142 C143 C144 162.9(10) . . . . ?
N141 N142 C143 C132 -178.2(11) . . . . ?
Co1 N142 C143 C132 -16.9(15) . . . . ?
N131 C132 C143 N142 13.7(19) . . . . ?
C133 C132 C143 N142 -163.5(13) . . . . ?
N131 C132 C143 C144 -166.0(17) . . . . ?
C133 C132 C143 C144 17(3) . . . . ?
N142 C143 C144 C145 0.7(19) . . . . ?
C132 C143 C144 C145 -179.5(17) . . . . ?
C143 C144 C145 N141 -2.9(18) . . . . ?
N142 N141 C145 C144 4.2(17) . . . . ?
C146 N141 C145 C144 173.1(13) . . . . ?
C145 N141 C146 C192 -96.4(16) . . . . ?
N142 N141 C146 C192 71.1(15) . . . . ?
N162 Co2 N151 C156 179.5(12) . . . . ?
N171 Co2 N151 C156 12.9(11) . . . . ?
N242 Co2 N151 C156 -99.2(17) . . . . ?
N231 Co2 N151 C156 -87.3(11) . . . . ?
N182 Co2 N151 C156 89.1(11) . . . . ?
N162 Co2 N151 C152 -4.6(8) . . . . ?
N171 Co2 N151 C152 -171.1(8) . . . . ?
N242 Co2 N151 C152 76.8(17) . . . . ?
N231 Co2 N151 C152 88.7(9) . . . . ?
N182 Co2 N151 C152 -94.9(8) . . . . ?
C156 N151 C152 C153 0.2(19) . . . . ?
Co2 N151 C152 C153 -175.8(10) . . . . ?
C156 N151 C152 C163 -178.4(12) . . . . ?
Co2 N151 C152 C163 5.5(13) . . . . ?
N151 C152 C153 C154 3(2) . . . . ?
C163 C152 C153 C154 -178.8(13) . . . . ?
C152 C153 C154 C155 -4(2) . . . . ?
C153 C154 C155 C156 2(2) . . . . ?
C152 N151 C156 C155 -2(2) . . . . ?
Co2 N151 C156 C155 173.7(11) . . . . ?
C154 C155 C156 N151 1(2) . . . . ?
C166 N161 N162 C163 -171.9(10) . . . . ?
C165 N161 N162 C163 1.5(11) . . . . ?
C166 N161 N162 Co2 -3.3(14) . . . . ?
C165 N161 N162 Co2 170.1(8) . . . . ?
N171 Co2 N162 C163 66.6(17) . . . . ?
N242 Co2 N162 C163 -161.9(8) . . . . ?
N231 Co2 N162 C163 -84.7(8) . . . . ?
N151 Co2 N162 C163 3.0(8) . . . . ?
N182 Co2 N162 C163 92.6(8) . . . . ?
N171 Co2 N162 N161 -101.6(16) . . . . ?
N242 Co2 N162 N161 29.9(9) . . . . ?
N231 Co2 N162 N161 107.1(9) . . . . ?
N151 Co2 N162 N161 -165.2(10) . . . . ?
N182 Co2 N162 N161 -75.6(9) . . . . ?
N161 N162 C163 C152 170.1(9) . . . . ?
Co2 N162 C163 C152 -1.1(13) . . . . ?
N161 N162 C163 C164 -1.5(12) . . . . ?
Co2 N162 C163 C164 -172.8(7) . . . . ?
N151 C152 C163 N162 -3.1(16) . . . . ?
C153 C152 C163 N162 178.2(12) . . . . ?
N151 C152 C163 C164 166.1(12) . . . . ?
C153 C152 C163 C164 -13(2) . . . . ?
N162 C163 C164 C165 1.1(13) . . . . ?
C152 C163 C164 C165 -169.0(12) . . . . ?
C163 C164 C165 N161 -0.1(13) . . . . ?
C166 N161 C165 C164 172.1(10) . . . . ?
N162 N161 C165 C164 -0.8(12) . . . . ?
C165 N161 C166 C194 -86.4(13) . . . . ?
N162 N161 C166 C194 85.4(12) . . . . ?
N162 Co2 N171 C172 22.0(18) . . . . ?
N242 Co2 N171 C172 -110.5(8) . . . . ?
N231 Co2 N171 C172 172.8(8) . . . . ?
N151 Co2 N171 C172 83.4(8) . . . . ?
N182 Co2 N171 C172 -4.8(7) . . . . ?
N162 Co2 N171 C176 -159.4(13) . . . . ?
N242 Co2 N171 C176 68.1(9) . . . . ?
N231 Co2 N171 C176 -8.6(9) . . . . ?
N151 Co2 N171 C176 -98.0(9) . . . . ?
N182 Co2 N171 C176 173.9(9) . . . . ?
C176 N171 C172 C173 1.2(15) . . . . ?
Co2 N171 C172 C173 179.9(8) . . . . ?
C176 N171 C172 C183 -179.8(9) . . . . ?
Co2 N171 C172 C183 -1.0(11) . . . . ?
N171 C172 C173 C174 -2.0(16) . . . . ?
C183 C172 C173 C174 179.0(10) . . . . ?
C172 C173 C174 C175 1.3(15) . . . . ?
C173 C174 C175 C176 0.2(15) . . . . ?
C174 C175 C176 N171 -1.0(17) . . . . ?
C172 N171 C176 C175 0.4(16) . . . . ?
Co2 N171 C176 C175 -178.3(8) . . . . ?
C185 N181 N182 C183 -0.8(12) . . . . ?
C186 N181 N182 C183 -174.1(9) . . . . ?
C185 N181 N182 Co2 -158.8(9) . . . . ?
C186 N181 N182 Co2 27.8(15) . . . . ?
N162 Co2 N182 N181 -6.0(11) . . . . ?
N171 Co2 N182 N181 167.3(11) . . . . ?
N242 Co2 N182 N181 -106.7(10) . . . . ?
N231 Co2 N182 N181 131(5) . . . . ?
N151 Co2 N182 N181 71.0(10) . . . . ?
N162 Co2 N182 C183 -163.2(8) . . . . ?
N171 Co2 N182 C183 10.1(7) . . . . ?
N242 Co2 N182 C183 96.1(7) . . . . ?
N231 Co2 N182 C183 -26(5) . . . . ?
N151 Co2 N182 C183 -86.1(7) . . . . ?
N181 N182 C183 C184 0.8(12) . . . . ?
Co2 N182 C183 C184 165.7(8) . . . . ?
N181 N182 C183 C172 -179.4(9) . . . . ?
Co2 N182 C183 C172 -14.5(12) . . . . ?
N171 C172 C183 N182 10.8(14) . . . . ?
C173 C172 C183 N182 -170.1(10) . . . . ?
N171 C172 C183 C184 -169.4(11) . . . . ?
C173 C172 C183 C184 9.6(18) . . . . ?
N182 C183 C184 C185 -0.5(14) . . . . ?
C172 C183 C184 C185 179.7(11) . . . . ?
N182 N181 C185 C184 0.5(14) . . . . ?
C186 N181 C185 C184 173.5(10) . . . . ?
C183 C184 C185 N181 0.0(14) . . . . ?
N182 N181 C186 C195 73.3(12) . . . . ?
C185 N181 C186 C195 -99.1(13) . . . . ?
N121 C126 C191 C196 165.9(10) . . . . ?
N121 C126 C191 C192 -12.4(17) . . . . ?
C196 C191 C192 C193 2.3(15) . . . . ?
C126 C191 C192 C193 -179.4(10) . . . . ?
C196 C191 C192 C146 171.4(11) . . . . ?
C126 C191 C192 C146 -10.4(18) . . . . ?
N141 C146 C192 C193 75.9(14) . . . . ?
N141 C146 C192 C191 -93.4(14) . . . . ?
C191 C192 C193 C194 -3.1(16) . . . . ?
C146 C192 C193 C194 -173.8(10) . . . . ?
C192 C193 C194 C195 3.5(16) . . . . ?
C192 C193 C194 C166 -177.5(10) . . . . ?
N161 C166 C194 C195 -8.8(16) . . . . ?
N161 C166 C194 C193 172.2(9) . . . . ?
C193 C194 C195 C196 -3.0(14) . . . . ?
C166 C194 C195 C196 178.1(9) . . . . ?
C193 C194 C195 C186 172.8(10) . . . . ?
C166 C194 C195 C186 -6.1(17) . . . . ?
N181 C186 C195 C194 -102.0(12) . . . . ?
N181 C186 C195 C196 74.0(11) . . . . ?
C194 C195 C196 C191 2.5(15) . . . . ?
C186 C195 C196 C191 -174.0(9) . . . . ?
C192 C191 C196 C195 -2.2(15) . . . . ?
C126 C191 C196 C195 179.4(9) . . . . ?
N122 Co1 N211 C212 -97.5(10) . . . . ?
N131 Co1 N211 C212 88.4(10) . . . . ?
N111 Co1 N211 C212 -173.4(10) . . . . ?
N142 Co1 N211 C212 104(5) . . . . ?
N222 Co1 N211 C212 3.2(9) . . . . ?
N122 Co1 N211 C216 83.6(11) . . . . ?
N131 Co1 N211 C216 -90.5(10) . . . . ?
N111 Co1 N211 C216 7.7(11) . . . . ?
N142 Co1 N211 C216 -75(5) . . . . ?
N222 Co1 N211 C216 -175.7(11) . . . . ?
C216 N211 C212 C223 177.6(12) . . . . ?
Co1 N211 C212 C223 -1.3(16) . . . . ?
C216 N211 C212 C213 0(2) . . . . ?
Co1 N211 C212 C213 -178.7(10) . . . . ?
N211 C212 C213 C214 -5(2) . . . . ?
C223 C212 C213 C214 177.8(14) . . . . ?
C212 C213 C214 C215 5(2) . . . . ?
C213 C214 C215 C216 0(3) . . . . ?
C214 C215 C216 N211 -5(2) . . . . ?
C212 N211 C216 C215 4.6(19) . . . . ?
Co1 N211 C216 C215 -176.5(10) . . . . ?
C225 N221 N222 C223 0.1(13) . . . . ?
C226 N221 N222 C223 175.1(10) . . . . ?
C225 N221 N222 Co1 177.0(10) . . . . ?
C226 N221 N222 Co1 -8.0(16) . . . . ?
N122 Co1 N222 C223 87.3(9) . . . . ?
N131 Co1 N222 C223 -105.3(9) . . . . ?
N211 Co1 N222 C223 -4.8(9) . . . . ?
N111 Co1 N222 C223 10(2) . . . . ?
N142 Co1 N222 C223 -179.5(9) . . . . ?
N122 Co1 N222 N221 -89.4(12) . . . . ?
N131 Co1 N222 N221 78.0(12) . . . . ?
N211 Co1 N222 N221 178.5(12) . . . . ?
N111 Co1 N222 N221 -167.0(14) . . . . ?
N142 Co1 N222 N221 3.8(12) . . . . ?
N221 N222 C223 C224 0.2(14) . . . . ?
Co1 N222 C223 C224 -177.6(9) . . . . ?
N221 N222 C223 C212 -176.4(11) . . . . ?
Co1 N222 C223 C212 5.8(15) . . . . ?
N211 C212 C223 C224 -178.8(14) . . . . ?
C213 C212 C223 C224 -1(2) . . . . ?
N211 C212 C223 N222 -3.1(19) . . . . ?
C213 C212 C223 N222 174.2(13) . . . . ?
N222 C223 C224 C225 -0.4(15) . . . . ?
C212 C223 C224 C225 175.6(15) . . . . ?
N222 N221 C225 C224 -0.3(14) . . . . ?
C226 N221 C225 C224 -174.7(11) . . . . ?
C223 C224 C225 N221 0.5(15) . . . . ?
C225 N221 C226 C291 78.5(17) . . . . ?
N222 N221 C226 C291 -95.4(12) . . . . ?
N162 Co2 N231 C232 -89.0(5) . . . . ?
N171 Co2 N231 C232 98.3(5) . . . . ?
N242 Co2 N231 C232 10.9(4) . . . . ?
N151 Co2 N231 C232 -165.9(5) . . . . ?
N182 Co2 N231 C232 134(5) . . . . ?
N162 Co2 N231 C236 81.0(6) . . . . ?
N171 Co2 N231 C236 -91.7(6) . . . . ?
N242 Co2 N231 C236 -179.1(6) . . . . ?
N151 Co2 N231 C236 4.1(6) . . . . ?
N182 Co2 N231 C236 -56(5) . . . . ?
C236 N231 C232 C243 177.0(10) . . . . ?
Co2 N231 C232 C243 -12.4(9) . . . . ?
C236 N231 C232 C233 0.0 . . . . ?
Co2 N231 C232 C233 170.6(5) . . . . ?
C243 C232 C233 C234 -176.6(11) . . . . ?
N231 C232 C233 C234 0.0 . . . . ?
C232 C233 C234 C235 0.0 . . . . ?
C233 C234 C235 C236 0.0 . . . . ?
C234 C235 C236 N231 0.0 . . . . ?
C232 N231 C236 C235 0.0 . . . . ?
Co2 N231 C236 C235 -169.4(6) . . . . ?
C245 N241 N242 C243 -0.7(13) . . . . ?
C246 N241 N242 C243 176.5(10) . . . . ?
C245 N241 N242 Co2 177.6(9) . . . . ?
C246 N241 N242 Co2 -5.2(16) . . . . ?
N162 Co2 N242 N241 -95.4(11) . . . . ?
N171 Co2 N242 N241 73.4(11) . . . . ?
N231 Co2 N242 N241 174.1(12) . . . . ?
N151 Co2 N242 N241 -173.7(12) . . . . ?
N182 Co2 N242 N241 -2.3(12) . . . . ?
N162 Co2 N242 C243 82.9(8) . . . . ?
N171 Co2 N242 C243 -108.3(8) . . . . ?
N231 Co2 N242 C243 -7.6(8) . . . . ?
N151 Co2 N242 C243 4.6(18) . . . . ?
N182 Co2 N242 C243 176.0(7) . . . . ?
N231 C232 C243 N242 5.9(15) . . . . ?
C233 C232 C243 N242 -177.3(9) . . . . ?
N231 C232 C243 C244 -171.4(13) . . . . ?
C233 C232 C243 C244 5(2) . . . . ?
N241 N242 C243 C232 -177.5(11) . . . . ?
Co2 N242 C243 C232 3.6(15) . . . . ?
N241 N242 C243 C244 0.5(12) . . . . ?
Co2 N242 C243 C244 -178.4(8) . . . . ?
C232 C243 C244 C245 177.6(14) . . . . ?
N242 C243 C244 C245 -0.2(15) . . . . ?
N242 N241 C245 C244 0.5(15) . . . . ?
C246 N241 C245 C244 -176.2(12) . . . . ?
C243 C244 C245 N241 -0.2(16) . . . . ?
C245 N241 C246 C292 85.5(16) . . . . ?
N242 N241 C246 C292 -91.1(12) . . . . ?
F2 Co3 N251 C252 -95.5(9) . . . . ?
F1 Co3 N251 C252 -49.6(15) . . . . ?
N262 Co3 N251 C252 9.4(9) . . . . ?
N271 Co3 N251 C252 175.0(9) . . . . ?
N282 Co3 N251 C252 97.3(9) . . . . ?
F2 Co3 N251 C256 75.5(11) . . . . ?
F1 Co3 N251 C256 121.4(11) . . . . ?
N262 Co3 N251 C256 -179.6(11) . . . . ?
N271 Co3 N251 C256 -14.0(11) . . . . ?
N282 Co3 N251 C256 -91.6(11) . . . . ?
C256 N251 C252 C253 4(2) . . . . ?
Co3 N251 C252 C253 175.1(11) . . . . ?
C256 N251 C252 C263 177.6(11) . . . . ?
Co3 N251 C252 C263 -10.9(13) . . . . ?
N251 C252 C253 C254 0(2) . . . . ?
C263 C252 C253 C254 -173.6(13) . . . . ?
C252 C253 C254 C255 -5(3) . . . . ?
C253 C254 C255 C256 6(3) . . . . ?
C252 N251 C256 C255 -3(2) . . . . ?
Co3 N251 C256 C255 -173.4(11) . . . . ?
C254 C255 C256 N251 -2(3) . . . . ?
C265 N261 N262 C263 1.3(10) . . . . ?
C266 N261 N262 C263 173.0(9) . . . . ?
C265 N261 N262 Co3 177.6(7) . . . . ?
C266 N261 N262 Co3 -10.7(13) . . . . ?
F2 Co3 N262 C263 77.9(8) . . . . ?
F1 Co3 N262 C263 156.2(8) . . . . ?
N271 Co3 N262 C263 -78.5(15) . . . . ?
N251 Co3 N262 C263 -6.1(8) . . . . ?
N282 Co3 N262 C263 -111.9(8) . . . . ?
F2 Co3 N262 N261 -98.0(9) . . . . ?
F1 Co3 N262 N261 -19.7(9) . . . . ?
N271 Co3 N262 N261 105.5(14) . . . . ?
N251 Co3 N262 N261 178.0(10) . . . . ?
N282 Co3 N262 N261 72.2(9) . . . . ?
N261 N262 C263 C264 0.2(12) . . . . ?
Co3 N262 C263 C264 -176.9(7) . . . . ?
N261 N262 C263 C252 179.7(9) . . . . ?
Co3 N262 C263 C252 2.6(12) . . . . ?
N251 C252 C263 N262 5.8(15) . . . . ?
C253 C252 C263 N262 -179.8(11) . . . . ?
N251 C252 C263 C264 -174.8(12) . . . . ?
C253 C252 C263 C264 -0.5(19) . . . . ?
N262 C263 C264 C265 -1.6(13) . . . . ?
C252 C263 C264 C265 179.0(11) . . . . ?
C263 C264 C265 N261 2.3(12) . . . . ?
N262 N261 C265 C264 -2.3(11) . . . . ?
C266 N261 C265 C264 -172.8(10) . . . . ?
N262 N261 C266 C294 -108.2(10) . . . . ?
C265 N261 C266 C294 61.4(14) . . . . ?
F2 Co3 N271 C272 156.0(5) . . . . ?
F1 Co3 N271 C272 78.3(5) . . . . ?
N262 Co3 N271 C272 -46.9(14) . . . . ?
N251 Co3 N271 C272 -116.1(5) . . . . ?
N282 Co3 N271 C272 -12.3(5) . . . . ?
F2 Co3 N271 C276 -13.3(5) . . . . ?
F1 Co3 N271 C276 -90.9(5) . . . . ?
N262 Co3 N271 C276 143.9(12) . . . . ?
N251 Co3 N271 C276 74.7(5) . . . . ?
N282 Co3 N271 C276 178.5(5) . . . . ?
C276 N271 C272 C273 0.0 . . . . ?
Co3 N271 C272 C273 -169.6(5) . . . . ?
C276 N271 C272 C283 -179.0(8) . . . . ?
Co3 N271 C272 C283 11.4(8) . . . . ?
N271 C272 C273 C274 0.0 . . . . ?
C283 C272 C273 C274 178.8(10) . . . . ?
C272 C273 C274 C275 0.0 . . . . ?
C273 C274 C275 C276 0.0 . . . . ?
C274 C275 C276 N271 0.0 . . . . ?
C272 N271 C276 C275 0.0 . . . . ?
Co3 N271 C276 C275 168.9(6) . . . . ?
C285 N281 N282 C283 -0.7(11) . . . . ?
C286 N281 N282 C283 -175.4(9) . . . . ?
C285 N281 N282 Co3 -168.0(8) . . . . ?
C286 N281 N282 Co3 17.3(15) . . . . ?
F2 Co3 N282 C283 -28.3(13) . . . . ?
F1 Co3 N282 C283 -83.0(7) . . . . ?
N262 Co3 N282 C283 -177.3(8) . . . . ?
N271 Co3 N282 C283 11.1(7) . . . . ?
N251 Co3 N282 C283 108.1(8) . . . . ?
F2 Co3 N282 N281 138.5(10) . . . . ?
F1 Co3 N282 N281 83.8(10) . . . . ?
N262 Co3 N282 N281 -10.5(10) . . . . ?
N271 Co3 N282 N281 177.9(11) . . . . ?
N251 Co3 N282 N281 -85.1(11) . . . . ?
N281 N282 C283 C284 -0.2(12) . . . . ?
Co3 N282 C283 C284 171.0(7) . . . . ?
N281 N282 C283 C272 179.7(9) . . . . ?
Co3 N282 C283 C272 -9.1(13) . . . . ?
C273 C272 C283 N282 180.0(8) . . . . ?
N271 C272 C283 N282 -1.1(13) . . . . ?
C273 C272 C283 C284 -0.1(15) . . . . ?
N271 C272 C283 C284 178.7(10) . . . . ?
N282 C283 C284 C285 1.0(13) . . . . ?
C272 C283 C284 C285 -178.8(10) . . . . ?
C283 C284 C285 N281 -1.4(13) . . . . ?
N282 N281 C285 C284 1.4(12) . . . . ?
C286 N281 C285 C284 175.9(9) . . . . ?
N282 N281 C286 C295 -112.2(10) . . . . ?
C285 N281 C286 C295 74.0(12) . . . . ?
N221 C226 C291 C296 -8.9(17) . . . . ?
N221 C226 C291 C292 170.0(10) . . . . ?
C296 C291 C292 C293 -1.7(15) . . . . ?
C226 C291 C292 C293 179.3(10) . . . . ?
C296 C291 C292 C246 176.0(10) . . . . ?
C226 C291 C292 C246 -2.9(15) . . . . ?
N241 C246 C292 C293 -10.1(16) . . . . ?
N241 C246 C292 C291 172.2(10) . . . . ?
C291 C292 C293 C294 -0.5(16) . . . . ?
C246 C292 C293 C294 -178.1(10) . . . . ?
C292 C293 C294 C295 0.6(15) . . . . ?
C292 C293 C294 C266 -177.4(10) . . . . ?
N261 C266 C294 C295 49.0(15) . . . . ?
N261 C266 C294 C293 -133.3(9) . . . . ?
C293 C294 C295 C296 1.5(15) . . . . ?
C266 C294 C295 C296 179.3(10) . . . . ?
C293 C294 C295 C286 -178.3(9) . . . . ?
C266 C294 C295 C286 -0.5(17) . . . . ?
N281 C286 C295 C296 -94.0(11) . . . . ?
N281 C286 C295 C294 85.8(12) . . . . ?
C294 C295 C296 C291 -4.0(17) . . . . ?
C286 C295 C296 C291 175.8(10) . . . . ?
C292 C291 C296 C295 4.1(16) . . . . ?
C226 C291 C296 C295 -177.0(11) . . . . ?
N422 Co5 N311 C312 88(2) . . . . ?
N322 Co5 N311 C312 -5.3(10) . . . . ?
N331 Co5 N311 C312 -170.2(10) . . . . ?
N342 Co5 N311 C312 -93.2(10) . . . . ?
N411 Co5 N311 C312 90.7(10) . . . . ?
N422 Co5 N311 C316 -90(2) . . . . ?
N322 Co5 N311 C316 176.0(12) . . . . ?
N331 Co5 N311 C316 11.1(12) . . . . ?
N342 Co5 N311 C316 88.1(11) . . . . ?
N411 Co5 N311 C316 -87.9(11) . . . . ?
C316 N311 C312 C313 3(2) . . . . ?
Co5 N311 C312 C313 -175.4(12) . . . . ?
C316 N311 C312 C323 -177.8(14) . . . . ?
Co5 N311 C312 C323 3.5(17) . . . . ?
N311 C312 C313 C314 0(3) . . . . ?
C323 C312 C313 C314 -178.9(18) . . . . ?
C312 C313 C314 C315 -2(3) . . . . ?
C313 C314 C315 C316 1(3) . . . . ?
C314 C315 C316 N311 2(2) . . . . ?
C312 N311 C316 C315 -4(2) . . . . ?
Co5 N311 C316 C315 174.2(12) . . . . ?
C325 N321 N322 C323 -4.5(16) . . . . ?
C326 N321 N322 C323 -174.4(13) . . . . ?
C325 N321 N322 Co5 174.6(11) . . . . ?
C326 N321 N322 Co5 5(2) . . . . ?
N422 Co5 N322 N321 19.7(14) . . . . ?
N331 Co5 N322 N321 -104.3(18) . . . . ?
N342 Co5 N322 N321 -81.2(13) . . . . ?
N411 Co5 N322 N321 97.2(13) . . . . ?
N311 Co5 N322 N321 -172.8(14) . . . . ?
N422 Co5 N322 C323 -161.1(10) . . . . ?
N331 Co5 N322 C323 74.8(17) . . . . ?
N342 Co5 N322 C323 97.9(11) . . . . ?
N411 Co5 N322 C323 -83.6(11) . . . . ?
N311 Co5 N322 C323 6.4(10) . . . . ?
N321 N322 C323 C312 172.2(15) . . . . ?
Co5 N322 C323 C312 -7(2) . . . . ?
N321 N322 C323 C324 2.5(16) . . . . ?
Co5 N322 C323 C324 -176.9(10) . . . . ?
N311 C312 C323 N322 2(2) . . . . ?
C313 C312 C323 N322 -178.8(17) . . . . ?
N311 C312 C323 C324 169.1(15) . . . . ?
C313 C312 C323 C324 -12(3) . . . . ?
N322 C323 C324 C325 0.5(18) . . . . ?
C312 C323 C324 C325 -167.8(17) . . . . ?
C323 C324 C325 N321 -3.1(18) . . . . ?
N322 N321 C325 C324 4.9(17) . . . . ?
C326 N321 C325 C324 174.1(14) . . . . ?
N322 N321 C326 C391 79.8(16) . . . . ?
C325 N321 C326 C391 -88.1(15) . . . . ?
N422 Co5 N331 C332 -107.3(10) . . . . ?
N322 Co5 N331 C332 19.0(19) . . . . ?
N342 Co5 N331 C332 -4.7(9) . . . . ?
N411 Co5 N331 C332 177.3(9) . . . . ?
N311 Co5 N331 C332 84.6(10) . . . . ?
N422 Co5 N331 C336 64.0(10) . . . . ?
N322 Co5 N331 C336 -169.7(12) . . . . ?
N342 Co5 N331 C336 166.6(11) . . . . ?
N411 Co5 N331 C336 -11.4(10) . . . . ?
N311 Co5 N331 C336 -104.1(10) . . . . ?
C336 N331 C332 C333 1(2) . . . . ?
Co5 N331 C332 C333 172.3(11) . . . . ?
C336 N331 C332 C343 -174.6(11) . . . . ?
Co5 N331 C332 C343 -3.2(15) . . . . ?
N331 C332 C333 C334 -1(2) . . . . ?
C343 C332 C333 C334 174.2(13) . . . . ?
C332 C333 C334 C335 3(2) . . . . ?
C333 C334 C335 C336 -5(2) . . . . ?
C332 N331 C336 C335 -2.7(19) . . . . ?
Co5 N331 C336 C335 -173.6(9) . . . . ?
C334 C335 C336 N331 5(2) . . . . ?
C345 N341 N342 C343 -0.8(12) . . . . ?
C346 N341 N342 C343 -173.8(9) . . . . ?
C345 N341 N342 Co5 -151.6(10) . . . . ?
C346 N341 N342 Co5 35.4(15) . . . . ?
N422 Co5 N342 N341 -116.4(11) . . . . ?
N322 Co5 N342 N341 -12.2(11) . . . . ?
N331 Co5 N342 N341 161.4(12) . . . . ?
N411 Co5 N342 N341 -173(4) . . . . ?
N311 Co5 N342 N341 63.9(11) . . . . ?
N422 Co5 N342 C343 94.0(8) . . . . ?
N322 Co5 N342 C343 -161.8(8) . . . . ?
N331 Co5 N342 C343 11.8(8) . . . . ?
N411 Co5 N342 C343 37(5) . . . . ?
N311 Co5 N342 C343 -85.6(8) . . . . ?
N341 N342 C343 C344 -0.5(12) . . . . ?
Co5 N342 C343 C344 159.5(8) . . . . ?
N341 N342 C343 C332 -178.2(10) . . . . ?
Co5 N342 C343 C332 -18.2(13) . . . . ?
C333 C332 C343 N342 -160.8(13) . . . . ?
N331 C332 C343 N342 14.7(17) . . . . ?
C333 C332 C343 C344 22(2) . . . . ?
N331 C332 C343 C344 -162.3(13) . . . . ?
N342 C343 C344 C345 1.6(14) . . . . ?
C332 C343 C344 C345 178.8(13) . . . . ?
C343 C344 C345 N341 -2.2(15) . . . . ?
N342 N341 C345 C344 2.0(14) . . . . ?
C346 N341 C345 C344 174.2(11) . . . . ?
C345 N341 C346 C392 -101.5(14) . . . . ?
N342 N341 C346 C392 70.0(12) . . . . ?
N362 Co6 N351 C356 178.4(11) . . . . ?
N8Y Co6 N351 C356 85.5(10) . . . . ?
N8X Co6 N351 C356 91.0(11) . . . . ?
N431 Co6 N351 C356 -89.2(10) . . . . ?
N1Y Co6 N351 C356 6.8(11) . . . . ?
N1X Co6 N351 C356 17.5(11) . . . . ?
N442 Co6 N351 C356 -73(2) . . . . ?
N362 Co6 N351 C352 -3.2(8) . . . . ?
N8Y Co6 N351 C352 -96.2(9) . . . . ?
N8X Co6 N351 C352 -90.7(10) . . . . ?
N431 Co6 N351 C352 89.2(9) . . . . ?
N1Y Co6 N351 C352 -174.9(9) . . . . ?
N1X Co6 N351 C352 -164.2(10) . . . . ?
N442 Co6 N351 C352 105(2) . . . . ?
C356 N351 C352 C353 1.3(18) . . . . ?
Co6 N351 C352 C353 -177.3(10) . . . . ?
C356 N351 C352 C363 -177.9(10) . . . . ?
Co6 N351 C352 C363 3.5(13) . . . . ?
N351 C352 C353 C354 -1.6(19) . . . . ?
C363 C352 C353 C354 177.5(11) . . . . ?
C352 C353 C354 C355 -1.9(18) . . . . ?
C353 C354 C355 C356 5.6(19) . . . . ?
C354 C355 C356 N351 -6(2) . . . . ?
C352 N351 C356 C355 2.8(18) . . . . ?
Co6 N351 C356 C355 -178.8(9) . . . . ?
C365 N361 N362 C363 -0.4(13) . . . . ?
C366 N361 N362 C363 -166.2(10) . . . . ?
C365 N361 N362 Co6 168.3(10) . . . . ?
C366 N361 N362 Co6 2.5(17) . . . . ?
N8Y Co6 N362 C363 93.4(9) . . . . ?
N8X Co6 N362 C363 85.2(11) . . . . ?
N351 Co6 N362 C363 2.2(8) . . . . ?
N431 Co6 N362 C363 -89.0(9) . . . . ?
N1Y Co6 N362 C363 73(3) . . . . ?
N1X Co6 N362 C363 56.5(17) . . . . ?
N442 Co6 N362 C363 -166.5(8) . . . . ?
N8Y Co6 N362 N361 -74.4(12) . . . . ?
N8X Co6 N362 N361 -82.7(14) . . . . ?
N351 Co6 N362 N361 -165.6(13) . . . . ?
N431 Co6 N362 N361 103.1(12) . . . . ?
N1Y Co6 N362 N361 -94(3) . . . . ?
N1X Co6 N362 N361 -111.4(18) . . . . ?
N442 Co6 N362 N361 25.6(13) . . . . ?
N361 N362 C363 C364 -2.3(13) . . . . ?
Co6 N362 C363 C364 -174.1(8) . . . . ?
N361 N362 C363 C352 170.7(10) . . . . ?
Co6 N362 C363 C352 -1.1(14) . . . . ?
N351 C352 C363 N362 -1.6(16) . . . . ?
C353 C352 C363 N362 179.2(11) . . . . ?
N351 C352 C363 C364 169.6(12) . . . . ?
C353 C352 C363 C364 -10(2) . . . . ?
N362 C363 C364 C365 4.1(14) . . . . ?
C352 C363 C364 C365 -167.5(13) . . . . ?
N362 N361 C365 C364 3.2(14) . . . . ?
C366 N361 C365 C364 166.5(11) . . . . ?
C363 C364 C365 N361 -4.4(15) . . . . ?
C365 N361 C366 C394 -71.9(15) . . . . ?
N362 N361 C366 C394 90.5(12) . . . . ?
N362 Co6 N1X C2X 32(2) . . . . ?
N8Y Co6 N1X C2X -8.1(10) . . . . ?
N8X Co6 N1X C2X 2.3(12) . . . . ?
N351 Co6 N1X C2X 84.7(11) . . . . ?
N431 Co6 N1X C2X 176.1(10) . . . . ?
N1Y Co6 N1X C2X -138(3) . . . . ?
N442 Co6 N1X C2X -106.8(11) . . . . ?
N362 Co6 N1X C6X -152.7(12) . . . . ?
N8Y Co6 N1X C6X 167.0(13) . . . . ?
N8X Co6 N1X C6X 177.4(14) . . . . ?
N351 Co6 N1X C6X -100.2(11) . . . . ?
N431 Co6 N1X C6X -8.9(12) . . . . ?
N1Y Co6 N1X C6X 37(2) . . . . ?
N442 Co6 N1X C6X 68.3(11) . . . . ?
C6X N1X C2X C9X -171(2) . . . . ?
Co6 N1X C2X C9X 4.4(18) . . . . ?
C6X N1X C2X C3X 0.0 . . . . ?
Co6 N1X C2X C3X 175.0(15) . . . . ?
C9X C2X C3X C4X 168(3) . . . . ?
N1X C2X C3X C4X 0.0 . . . . ?
C2X C3X C4X C5X 0.0 . . . . ?
C3X C4X C5X C6X 0.0 . . . . ?
C4X C5X C6X N1X 0.0 . . . . ?
C2X N1X C6X C5X 0.0 . . . . ?
Co6 N1X C6X C5X -175.2(14) . . . . ?
C11X N7X N8X C9X 0.0 . . . . ?
C12X N7X N8X C9X -157(3) . . . . ?
C11X N7X N8X Co6 -172(3) . . . . ?
C12X N7X N8X Co6 31(4) . . . . ?
N362 Co6 N8X N7X -5(2) . . . . ?
N8Y Co6 N8X N7X -137(5) . . . . ?
N351 Co6 N8X N7X 73(2) . . . . ?
N431 Co6 N8X N7X 71(7) . . . . ?
N1Y Co6 N8X N7X 173(2) . . . . ?
N1X Co6 N8X N7X 163(2) . . . . ?
N442 Co6 N8X N7X -110(2) . . . . ?
N362 Co6 N8X C9X -176.7(10) . . . . ?
N8Y Co6 N8X C9X 51(4) . . . . ?
N351 Co6 N8X C9X -98.9(10) . . . . ?
N431 Co6 N8X C9X -100(6) . . . . ?
N1Y Co6 N8X C9X 1.5(11) . . . . ?
N1X Co6 N8X C9X -8.3(11) . . . . ?
N442 Co6 N8X C9X 77.8(10) . . . . ?
N1X C2X C9X N8X -12(2) . . . . ?
C3X C2X C9X N8X 178.3(14) . . . . ?
N1X C2X C9X C10X -167.3(18) . . . . ?
C3X C2X C9X C10X 23(3) . . . . ?
N7X N8X C9X C2X -159(2) . . . . ?
Co6 N8X C9X C2X 15(2) . . . . ?
N7X N8X C9X C10X 0.0 . . . . ?
Co6 N8X C9X C10X 174.1(19) . . . . ?
C2X C9X C10X C11X 157(3) . . . . ?
N8X C9X C10X C11X 0.0 . . . . ?
C9X C10X C11X N7X 0.0 . . . . ?
N8X N7X C11X C10X 0.0 . . . . ?
C12X N7X C11X C10X 162(2) . . . . ?
N8X N7X C12X C395 61(4) . . . . ?
C11X N7X C12X C395 -95(3) . . . . ?
N362 Co6 N1Y C2Y 13(3) . . . . ?
N8Y Co6 N1Y C2Y -7.0(6) . . . . ?
N8X Co6 N1Y C2Y 1.6(9) . . . . ?
N351 Co6 N1Y C2Y 83.0(6) . . . . ?
N431 Co6 N1Y C2Y 175.8(6) . . . . ?
N1X Co6 N1Y C2Y 39(2) . . . . ?
N442 Co6 N1Y C2Y -108.5(6) . . . . ?
N362 Co6 N1Y C6Y -169(2) . . . . ?
N8Y Co6 N1Y C6Y 170.9(8) . . . . ?
N8X Co6 N1Y C6Y 179.6(10) . . . . ?
N351 Co6 N1Y C6Y -99.1(7) . . . . ?
N431 Co6 N1Y C6Y -6.3(8) . . . . ?
N1X Co6 N1Y C6Y -143(3) . . . . ?
N442 Co6 N1Y C6Y 69.4(7) . . . . ?
C6Y N1Y C2Y C9Y -179.6(13) . . . . ?
Co6 N1Y C2Y C9Y -1.5(12) . . . . ?
C6Y N1Y C2Y C3Y 0.0 . . . . ?
Co6 N1Y C2Y C3Y 178.2(8) . . . . ?
C9Y C2Y C3Y C4Y 179.6(14) . . . . ?
N1Y C2Y C3Y C4Y 0.0 . . . . ?
C2Y C3Y C4Y C5Y 0.0 . . . . ?
C3Y C4Y C5Y C6Y 0.0 . . . . ?
C4Y C5Y C6Y N1Y 0.0 . . . . ?
C2Y N1Y C6Y C5Y 0.0 . . . . ?
Co6 N1Y C6Y C5Y -177.8(9) . . . . ?
C11Y N7Y N8Y C9Y 0.0 . . . . ?
C12Y N7Y N8Y C9Y 178.1(14) . . . . ?
C11Y N7Y N8Y Co6 -151.3(13) . . . . ?
C12Y N7Y N8Y Co6 26.9(18) . . . . ?
N362 Co6 N8Y C9Y -163.2(7) . . . . ?
N8X Co6 N8Y C9Y -115(4) . . . . ?
N351 Co6 N8Y C9Y -85.7(7) . . . . ?
N431 Co6 N8Y C9Y 39(4) . . . . ?
N1Y Co6 N8Y C9Y 13.8(7) . . . . ?
N1X Co6 N8Y C9Y 1.8(9) . . . . ?
N442 Co6 N8Y C9Y 90.1(6) . . . . ?
N362 Co6 N8Y N7Y -12.5(11) . . . . ?
N8X Co6 N8Y N7Y 35(3) . . . . ?
N351 Co6 N8Y N7Y 65.0(11) . . . . ?
N431 Co6 N8Y N7Y -170(3) . . . . ?
N1Y Co6 N8Y N7Y 164.5(12) . . . . ?
N1X Co6 N8Y N7Y 152.4(14) . . . . ?
N442 Co6 N8Y N7Y -119.2(11) . . . . ?
C3Y C2Y C9Y N8Y -165.2(8) . . . . ?
N1Y C2Y C9Y N8Y 14.4(15) . . . . ?
C3Y C2Y C9Y C10Y 17(2) . . . . ?
N1Y C2Y C9Y C10Y -163.8(11) . . . . ?
N7Y N8Y C9Y C2Y -178.7(15) . . . . ?
Co6 N8Y C9Y C2Y -19.7(13) . . . . ?
N7Y N8Y C9Y C10Y 0.0 . . . . ?
Co6 N8Y C9Y C10Y 159.0(10) . . . . ?
C2Y C9Y C10Y C11Y 178.4(18) . . . . ?
N8Y C9Y C10Y C11Y 0.0 . . . . ?
C9Y C10Y C11Y N7Y 0.0 . . . . ?
N8Y N7Y C11Y C10Y 0.0 . . . . ?
C12Y N7Y C11Y C10Y -177.8(17) . . . . ?
C11Y N7Y C12Y C395 -99.8(16) . . . . ?
N8Y N7Y C12Y C395 82.6(18) . . . . ?
N321 C326 C391 C396 172.2(10) . . . . ?
N321 C326 C391 C392 -3.7(17) . . . . ?
C396 C391 C392 C393 -2.5(15) . . . . ?
C326 C391 C392 C393 173.2(10) . . . . ?
C396 C391 C392 C346 174.9(10) . . . . ?
C326 C391 C392 C346 -9.3(18) . . . . ?
N341 C346 C392 C391 -100.5(12) . . . . ?
N341 C346 C392 C393 77.1(12) . . . . ?
C391 C392 C393 C394 3.2(15) . . . . ?
C346 C392 C393 C394 -174.5(9) . . . . ?
C392 C393 C394 C395 0.4(15) . . . . ?
C392 C393 C394 C366 -179.7(9) . . . . ?
N361 C366 C394 C395 -17.3(17) . . . . ?
N361 C366 C394 C393 162.8(9) . . . . ?
C393 C394 C395 C396 -4.4(16) . . . . ?
C366 C394 C395 C396 175.7(11) . . . . ?
C393 C394 C395 C12Y 170.0(12) . . . . ?
C366 C394 C395 C12Y -10(2) . . . . ?
C393 C394 C395 C12X -172.2(14) . . . . ?
C366 C394 C395 C12X 8(2) . . . . ?
N7Y C12Y C395 C394 -98.6(17) . . . . ?
N7Y C12Y C395 C396 76.0(17) . . . . ?
N7Y C12Y C395 C12X 147(9) . . . . ?
N7X C12X C395 C394 -96(3) . . . . ?
N7X C12X C395 C396 96(3) . . . . ?
N7X C12X C395 C12Y -19(6) . . . . ?
C392 C391 C396 C395 -1.7(17) . . . . ?
C326 C391 C396 C395 -178.2(11) . . . . ?
C394 C395 C396 C391 5.3(18) . . . . ?
C12Y C395 C396 C391 -169.6(12) . . . . ?
C12X C395 C396 C391 175.3(13) . . . . ?
N422 Co5 N411 C412 5.0(5) . . . . ?
N322 Co5 N411 C412 -98.2(6) . . . . ?
N331 Co5 N411 C412 87.7(6) . . . . ?
N342 Co5 N411 C412 63(4) . . . . ?
N311 Co5 N411 C412 -174.4(5) . . . . ?
N422 Co5 N411 C416 -178.0(6) . . . . ?
N322 Co5 N411 C416 78.8(6) . . . . ?
N331 Co5 N411 C416 -95.3(6) . . . . ?
N342 Co5 N411 C416 -120(4) . . . . ?
N311 Co5 N411 C416 2.5(6) . . . . ?
C416 N411 C412 C413 0.0 . . . . ?
Co5 N411 C412 C413 177.1(6) . . . . ?
C416 N411 C412 C423 176.2(10) . . . . ?
Co5 N411 C412 C423 -6.7(9) . . . . ?
N411 C412 C413 C414 0.0 . . . . ?
C423 C412 C413 C414 -175.8(11) . . . . ?
C412 C413 C414 C415 0.0 . . . . ?
C413 C414 C415 C416 0.0 . . . . ?
C414 C415 C416 N411 0.0 . . . . ?
C412 N411 C416 C415 0.0 . . . . ?
Co5 N411 C416 C415 -176.8(7) . . . . ?
C425 N421 N422 C423 -0.5(12) . . . . ?
C426 N421 N422 C423 175.9(10) . . . . ?
C425 N421 N422 Co5 -176.8(9) . . . . ?
C426 N421 N422 Co5 -0.4(18) . . . . ?
N322 Co5 N422 N421 -93.6(12) . . . . ?
N331 Co5 N422 N421 73.1(12) . . . . ?
N342 Co5 N422 N421 -2.6(12) . . . . ?
N411 Co5 N422 N421 173.4(12) . . . . ?
N311 Co5 N422 N421 175.9(14) . . . . ?
N322 Co5 N422 C423 90.4(9) . . . . ?
N331 Co5 N422 C423 -102.9(9) . . . . ?
N342 Co5 N422 C423 -178.6(8) . . . . ?
N411 Co5 N422 C423 -2.6(8) . . . . ?
N311 Co5 N422 C423 0(2) . . . . ?
N421 N422 C423 C424 0.6(14) . . . . ?
Co5 N422 C423 C424 178.0(9) . . . . ?
N421 N422 C423 C412 -177.4(10) . . . . ?
Co5 N422 C423 C412 0.0(14) . . . . ?
C413 C412 C423 C424 2.8(19) . . . . ?
N411 C412 C423 C424 -173.2(12) . . . . ?
C413 C412 C423 N422 -179.5(8) . . . . ?
N411 C412 C423 N422 4.5(14) . . . . ?
N422 C423 C424 C425 -0.5(16) . . . . ?
C412 C423 C424 C425 177.2(12) . . . . ?
N422 N421 C425 C424 0.2(14) . . . . ?
C426 N421 C425 C424 -176.1(11) . . . . ?
C423 C424 C425 N421 0.2(15) . . . . ?
N422 N421 C426 C491 -96.6(13) . . . . ?
C425 N421 C426 C491 79.2(15) . . . . ?
N362 Co6 N431 C436 70.8(9) . . . . ?
N8Y Co6 N431 C436 -131(4) . . . . ?
N8X Co6 N431 C436 -5(6) . . . . ?
N351 Co6 N431 C436 -6.7(10) . . . . ?
N1Y Co6 N431 C436 -106.6(10) . . . . ?
N1X Co6 N431 C436 -95.5(11) . . . . ?
N442 Co6 N431 C436 176.6(10) . . . . ?
N362 Co6 N431 C432 -113.6(8) . . . . ?
N8Y Co6 N431 C432 44(4) . . . . ?
N8X Co6 N431 C432 170(6) . . . . ?
N351 Co6 N431 C432 168.9(8) . . . . ?
N1Y Co6 N431 C432 69.0(8) . . . . ?
N1X Co6 N431 C432 80.1(10) . . . . ?
N442 Co6 N431 C432 -7.9(8) . . . . ?
C436 N431 C432 C433 1.0(17) . . . . ?
Co6 N431 C432 C433 -175.0(9) . . . . ?
C436 N431 C432 C443 -174.5(10) . . . . ?
Co6 N431 C432 C443 9.6(13) . . . . ?
N431 C432 C433 C434 0.8(18) . . . . ?
C443 C432 C433 C434 176.2(11) . . . . ?
C432 C433 C434 C435 -4.6(19) . . . . ?
C433 C434 C435 C436 6.4(19) . . . . ?
C432 N431 C436 C435 0.8(17) . . . . ?
Co6 N431 C436 C435 176.2(8) . . . . ?
C434 C435 C436 N431 -4.4(18) . . . . ?
C445 N441 N442 C443 4.5(12) . . . . ?
C446 N441 N442 C443 174.2(9) . . . . ?
C445 N441 N442 Co6 -175.1(9) . . . . ?
C446 N441 N442 Co6 -5.5(17) . . . . ?
N362 Co6 N442 N441 -86.3(12) . . . . ?
N8Y Co6 N442 N441 9.8(12) . . . . ?
N8X Co6 N442 N441 4.8(14) . . . . ?
N351 Co6 N442 N441 168.0(16) . . . . ?
N431 Co6 N442 N441 -175.4(12) . . . . ?
N1Y Co6 N442 N441 86.1(12) . . . . ?
N1X Co6 N442 N441 77.9(13) . . . . ?
N362 Co6 N442 C443 94.1(8) . . . . ?
N8Y Co6 N442 C443 -169.8(7) . . . . ?
N8X Co6 N442 C443 -174.8(9) . . . . ?
N351 Co6 N442 C443 -12(2) . . . . ?
N431 Co6 N442 C443 5.0(7) . . . . ?
N1Y Co6 N442 C443 -93.5(8) . . . . ?
N1X Co6 N442 C443 -101.7(9) . . . . ?
N441 N442 C443 C444 -3.5(12) . . . . ?
Co6 N442 C443 C444 176.3(7) . . . . ?
N441 N442 C443 C432 178.4(9) . . . . ?
Co6 N442 C443 C432 -1.8(12) . . . . ?
N431 C432 C443 C444 177.3(12) . . . . ?
C433 C432 C443 C444 2(2) . . . . ?
N431 C432 C443 N442 -5.1(15) . . . . ?
C433 C432 C443 N442 179.3(10) . . . . ?
N442 C443 C444 C445 1.3(13) . . . . ?
C432 C443 C444 C445 179.0(12) . . . . ?
N442 N441 C445 C444 -3.8(12) . . . . ?
C446 N441 C445 C444 -172.8(10) . . . . ?
C443 C444 C445 N441 1.4(12) . . . . ?
N442 N441 C446 C492 -91.4(14) . . . . ?
C445 N441 C446 C492 76.9(15) . . . . ?
F1 Co4 N451 C456 -4.8(14) . . . . ?
F2 Co4 N451 C456 -82.9(15) . . . . ?
N482 Co4 N451 C456 162(3) . . . . ?
N462 Co4 N451 C456 -178.6(15) . . . . ?
N471 Co4 N451 C456 82.9(15) . . . . ?
F1 Co4 N451 C452 162.8(10) . . . . ?
F2 Co4 N451 C452 84.6(10) . . . . ?
N482 Co4 N451 C452 -30(4) . . . . ?
N462 Co4 N451 C452 -11.0(10) . . . . ?
N471 Co4 N451 C452 -109.6(10) . . . . ?
C456 N451 C452 C463 178.8(15) . . . . ?
Co4 N451 C452 C463 10.0(17) . . . . ?
C456 N451 C452 C453 -3(2) . . . . ?
Co4 N451 C452 C453 -172.2(12) . . . . ?
C463 C452 C453 C454 177.6(15) . . . . ?
N451 C452 C453 C454 0(2) . . . . ?
C452 C453 C454 C455 1(3) . . . . ?
C453 C454 C455 C456 1(3) . . . . ?
C452 N451 C456 C455 6(3) . . . . ?
Co4 N451 C456 C455 173.1(13) . . . . ?
C454 C455 C456 N451 -5(3) . . . . ?
F1 Co4 N471 C476 78.9(9) . . . . ?
F2 Co4 N471 C476 131.2(11) . . . . ?
N482 Co4 N471 C476 -177.8(9) . . . . ?
N462 Co4 N471 C476 -84.7(9) . . . . ?
N451 Co4 N471 C476 -6.0(10) . . . . ?
F1 Co4 N471 C472 -95.8(7) . . . . ?
F2 Co4 N471 C472 -43.6(14) . . . . ?
N482 Co4 N471 C472 7.4(7) . . . . ?
N462 Co4 N471 C472 100.5(8) . . . . ?
N451 Co4 N471 C472 179.3(7) . . . . ?
C476 N471 C472 C473 0.3(15) . . . . ?
Co4 N471 C472 C473 175.4(8) . . . . ?
C476 N471 C472 C483 176.9(10) . . . . ?
Co4 N471 C472 C483 -8.1(11) . . . . ?
N471 C472 C473 C474 0.7(15) . . . . ?
C483 C472 C473 C474 -175.6(10) . . . . ?
C472 C473 C474 C475 0.9(17) . . . . ?
C473 C474 C475 C476 -3.3(18) . . . . ?
C472 N471 C476 C475 -2.8(16) . . . . ?
Co4 N471 C476 C475 -177.3(8) . . . . ?
C474 C475 C476 N471 4.3(18) . . . . ?
C485 N481 N482 C483 1.9(13) . . . . ?
C486 N481 N482 C483 166.5(10) . . . . ?
C485 N481 N482 Co4 -178.9(9) . . . . ?
C486 N481 N482 Co4 -14.3(16) . . . . ?
F1 Co4 N482 C483 79.6(8) . . . . ?
F2 Co4 N482 C483 158.0(8) . . . . ?
N462 Co4 N482 C483 -105.9(8) . . . . ?
N471 Co4 N482 C483 -5.7(8) . . . . ?
N451 Co4 N482 C483 -87(3) . . . . ?
F1 Co4 N482 N481 -99.5(10) . . . . ?
F2 Co4 N482 N481 -21.1(11) . . . . ?
N462 Co4 N482 N481 75.0(11) . . . . ?
N471 Co4 N482 N481 175.2(11) . . . . ?
N451 Co4 N482 N481 94(3) . . . . ?
N481 N482 C483 C484 0.3(13) . . . . ?
Co4 N482 C483 C484 -179.1(8) . . . . ?
N481 N482 C483 C472 -177.2(9) . . . . ?
Co4 N482 C483 C472 3.4(13) . . . . ?
N471 C472 C483 N482 3.2(14) . . . . ?
C473 C472 C483 N482 179.8(10) . . . . ?
N471 C472 C483 C484 -173.4(12) . . . . ?
C473 C472 C483 C484 3(2) . . . . ?
N482 C483 C484 C485 -2.1(13) . . . . ?
C472 C483 C484 C485 174.7(12) . . . . ?
N482 N481 C485 C484 -3.2(14) . . . . ?
C486 N481 C485 C484 -166.6(11) . . . . ?
C483 C484 C485 N481 3.2(14) . . . . ?
C485 N481 C486 C495 61.8(19) . . . . ?
N482 N481 C486 C495 -100.5(14) . . . . ?
C465 N461 N462 C463 -6.1(16) . . . . ?
C466 N461 N462 C463 179.5(11) . . . . ?
C465 N461 N462 Co4 -175.2(11) . . . . ?
C466 N461 N462 Co4 10(2) . . . . ?
F1 Co4 N462 N461 160.1(10) . . . . ?
F2 Co4 N462 N461 88.8(13) . . . . ?
N482 Co4 N462 N461 -3.4(14) . . . . ?
N471 Co4 N462 N461 -78.9(13) . . . . ?
N451 Co4 N462 N461 179.3(14) . . . . ?
F1 Co4 N462 C463 -8.8(16) . . . . ?
F2 Co4 N462 C463 -80.1(8) . . . . ?
N482 Co4 N462 C463 -172.4(8) . . . . ?
N471 Co4 N462 C463 112.2(9) . . . . ?
N451 Co4 N462 C463 10.3(8) . . . . ?
N461 N462 C463 C452 178.7(13) . . . . ?
Co4 N462 C463 C452 -9.1(16) . . . . ?
N461 N462 C463 C464 -2.6(15) . . . . ?
Co4 N462 C463 C464 169.6(9) . . . . ?
N451 C452 C463 N462 -1(2) . . . . ?
C453 C452 C463 N462 -178.8(13) . . . . ?
N451 C452 C463 C464 -179.3(14) . . . . ?
C453 C452 C463 C464 3(2) . . . . ?
N462 C463 C464 C465 8.7(14) . . . . ?
C452 C463 C464 C465 -172.8(15) . . . . ?
N462 N461 C465 C464 11.2(16) . . . . ?
C466 N461 C465 C464 -174.2(11) . . . . ?
C463 C464 C465 N461 -11.6(14) . . . . ?
N462 N461 C466 C494 -105.8(13) . . . . ?
C465 N461 C466 C494 80.1(15) . . . . ?
N421 C426 C491 C492 173.4(12) . . . . ?
N421 C426 C491 C496 -17.1(16) . . . . ?
C496 C491 C492 C446 -179.9(13) . . . . ?
C426 C491 C492 C446 -11(2) . . . . ?
C496 C491 C492 C493 8(2) . . . . ?
C426 C491 C492 C493 176.9(12) . . . . ?
N441 C446 C492 C491 167.5(13) . . . . ?
N441 C446 C492 C493 -20.8(19) . . . . ?
C491 C492 C493 C494 1(2) . . . . ?
C446 C492 C493 C494 -171.8(14) . . . . ?
C492 C493 C494 C495 -9(2) . . . . ?
C492 C493 C494 C466 168.9(13) . . . . ?
N461 C466 C494 C493 -96.2(15) . . . . ?
N461 C466 C494 C495 81.4(17) . . . . ?
C493 C494 C495 C486 -179.2(15) . . . . ?
C466 C494 C495 C486 3(3) . . . . ?
C493 C494 C495 C496 8(2) . . . . ?
C466 C494 C495 C496 -169.1(13) . . . . ?
N481 C486 C495 C494 47(2) . . . . ?
N481 C486 C495 C496 -140.1(13) . . . . ?
C492 C491 C496 C495 -8(2) . . . . ?
C426 C491 C496 C495 -177.2(12) . . . . ?
C494 C495 C496 C491 0(2) . . . . ?
C486 C495 C496 C491 -174.2(13) . . . . ?
