#------------------------------------------------------------------------------
#$Date: 2016-03-21 19:00:37 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178832 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/86/4108638.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_4108638
loop_
_publ_author_name
'Ian S. Tidmarsh'
'Thomas B. Faust'
'Harry Adams'
'Lindsay P. Harding'
'Luca Russo'
'William Clegg'
'Michael D. Ward'
_publ_contact_author
; 
        Prof. Mike Ward
        Department of Chemistry
        University of Sheffield
        SHEFFIELD
        S3 7HF
;
_publ_contact_author_email       m.d.ward@sheffield.ac.uk
_publ_contact_author_fax         '0114 2229346'
_publ_section_title
;
 Octanuclear Cubic Coordination Cages
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15167
_journal_page_last               15175
_journal_paper_doi               10.1021/ja805605y
_journal_volume                  130
_journal_year                    2008
_chemical_formula_sum            'C342 H288 B16 Co8 F64 N72 O6'
_chemical_formula_weight         7362.84
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_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                 96.502(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   32.9366(13)
_cell_length_b                   29.9278(12)
_cell_length_c                   39.8346(15)
_cell_measurement_reflns_used    9904
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      20.84
_cell_measurement_theta_min      2.18
_cell_volume                     39013(3)
_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      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0841
_diffrn_reflns_av_sigmaI/netI    0.0852
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            124361
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         0.92
_exptl_absorpt_coefficient_mu    0.422
_exptl_absorpt_correction_T_max  0.8166
_exptl_absorpt_correction_T_min  0.8166
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.254
_exptl_crystal_description       block
_exptl_crystal_F_000             15056
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.50
_refine_diff_density_max         1.009
_refine_diff_density_min         -0.661
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1985
_refine_ls_number_reflns         25506
_refine_ls_number_restraints     146
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.1127
_refine_ls_R_factor_gt           0.0733
_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)+(0.1291P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1968
_refine_ls_wR_factor_ref         0.2146
_reflns_number_gt                15688
_reflns_number_total             25506
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja805605y_si_002_5.cif
_cod_data_source_block           imw1145c2c
_cod_original_sg_symbol_H-M      'C 1 2/c 1 '
_cod_database_code               4108638
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Co1 Co 0.14458(2) 0.21568(3) 0.223635(19) 0.0296(2) Uani 1 1 d .
Co2 Co -0.01358(2) 0.15824(3) -0.036427(19) 0.0280(2) Uani 1 1 d .
Co3 Co 0.40155(2) 0.01770(3) 0.13830(2) 0.0304(2) Uani 1 1 d .
Co4 Co 0.26621(2) 0.54207(3) 0.11517(2) 0.0363(2) Uani 1 1 d .
N111 N 0.18872(14) 0.17297(17) 0.25061(12) 0.0327(12) Uani 1 1 d .
C112 C 0.18675(16) 0.1290(2) 0.24138(14) 0.0304(15) Uani 1 1 d .
C113 C 0.21545(18) 0.0971(2) 0.25488(15) 0.0362(15) Uani 1 1 d .
H113 H 0.2136 0.0667 0.2481 0.043 Uiso 1 1 calc R
C114 C 0.2463(2) 0.1120(3) 0.27839(16) 0.0466(19) Uani 1 1 d .
H114 H 0.2661 0.0915 0.2883 0.056 Uiso 1 1 calc R
C115 C 0.24871(18) 0.1565(2) 0.28770(16) 0.0413(17) Uani 1 1 d .
H115 H 0.2704 0.1668 0.3036 0.050 Uiso 1 1 calc R
C116 C 0.21939(18) 0.1855(2) 0.27367(15) 0.0382(16) Uani 1 1 d .
H116 H 0.2209 0.2159 0.2806 0.046 Uiso 1 1 calc R
N121 N 0.10028(14) 0.13083(18) 0.18049(12) 0.0363(13) Uani 1 1 d .
N122 N 0.13056(14) 0.15105(16) 0.20149(12) 0.0318(12) Uani 1 1 d .
C123 C 0.15332(18) 0.1171(2) 0.21587(15) 0.0355(16) Uani 1 1 d .
C124 C 0.1388(2) 0.0762(2) 0.20458(16) 0.0415(17) Uani 1 1 d .
H124 H 0.1495 0.0476 0.2109 0.050 Uiso 1 1 calc R
C125 C 0.1044(2) 0.0862(2) 0.18149(17) 0.0467(18) Uani 1 1 d .
H125 H 0.0873 0.0652 0.1689 0.056 Uiso 1 1 calc R
C126 C 0.07079(17) 0.1559(2) 0.15884(14) 0.0344(15) Uani 1 1 d .
H12A H 0.0641 0.1836 0.1707 0.041 Uiso 1 1 calc R
H12B H 0.0454 0.1381 0.1545 0.041 Uiso 1 1 calc R
N131 N -0.05760(14) 0.18967(17) -0.07279(12) 0.0355(13) Uani 1 1 d .
C132 C -0.05804(17) 0.2351(2) -0.07199(16) 0.0369(16) Uani 1 1 d .
C133 C -0.08699(19) 0.2592(2) -0.09229(18) 0.0477(18) Uani 1 1 d .
H133 H -0.0874 0.2909 -0.0910 0.057 Uiso 1 1 calc R
C134 C -0.1150(2) 0.2372(3) -0.1143(2) 0.060(2) Uani 1 1 d .
H134 H -0.1348 0.2537 -0.1285 0.073 Uiso 1 1 calc R
C135 C -0.1147(2) 0.1912(3) -0.11612(19) 0.061(2) Uani 1 1 d .
H135 H -0.1336 0.1756 -0.1317 0.073 Uiso 1 1 calc R
C136 C -0.08611(19) 0.1686(2) -0.09459(17) 0.0497(18) Uani 1 1 d .
H136 H -0.0863 0.1369 -0.0950 0.060 Uiso 1 1 calc R
N141 N 0.02664(14) 0.25624(16) -0.01218(12) 0.0318(12) Uani 1 1 d .
N142 N 0.00044(13) 0.22786(16) -0.03095(11) 0.0298(12) Uani 1 1 d .
C143 C -0.02711(17) 0.2552(2) -0.04868(15) 0.0292(14) Uani 1 1 d .
C144 C -0.01869(18) 0.2997(2) -0.04099(16) 0.0382(16) Uani 1 1 d .
H144 H -0.0335 0.3251 -0.0499 0.046 Uiso 1 1 calc R
C145 C 0.0158(2) 0.2994(2) -0.01753(16) 0.0420(17) Uani 1 1 d .
H145 H 0.0292 0.3248 -0.0072 0.050 Uiso 1 1 calc R
C146 C 0.05913(17) 0.2398(2) 0.01229(14) 0.0329(15) Uani 1 1 d .
H14A H 0.0813 0.2623 0.0151 0.040 Uiso 1 1 calc R
H14B H 0.0705 0.2122 0.0034 0.040 Uiso 1 1 calc R
C151 C 0.08513(17) 0.1685(2) 0.12532(15) 0.0342(15) Uani 1 1 d .
C152 C 0.12244(18) 0.1549(2) 0.11668(15) 0.0374(16) Uani 1 1 d .
H152 H 0.1395 0.1367 0.1319 0.045 Uiso 1 1 calc R
C153 C 0.13572(17) 0.1673(2) 0.08634(15) 0.0350(15) Uani 1 1 d .
H153 H 0.1619 0.1581 0.0813 0.042 Uiso 1 1 calc R
C154 C 0.11177(16) 0.1925(2) 0.06368(15) 0.0334(15) Uani 1 1 d .
H154 H 0.1218 0.2013 0.0432 0.040 Uiso 1 1 calc R
C155 C 0.07237(15) 0.20568(19) 0.07001(14) 0.0266(14) Uani 1 1 d .
C156 C 0.05890(16) 0.1947(2) 0.10239(14) 0.0299(14) Uani 1 1 d .
C161 C 0.04548(17) 0.22977(19) 0.04660(14) 0.0290(14) Uani 1 1 d .
C162 C 0.00758(18) 0.2437(2) 0.05419(15) 0.0350(15) Uani 1 1 d .
H162 H -0.0103 0.2596 0.0380 0.042 Uiso 1 1 calc R
C163 C -0.00407(18) 0.2339(2) 0.08628(16) 0.0389(16) Uani 1 1 d .
H163 H -0.0298 0.2439 0.0919 0.047 Uiso 1 1 calc R
C164 C 0.02071(17) 0.2104(2) 0.10934(15) 0.0372(16) Uani 1 1 d .
H164 H 0.0119 0.2044 0.1308 0.045 Uiso 1 1 calc R
N211 N 0.10528(13) 0.25667(16) 0.19033(11) 0.0307(12) Uani 1 1 d .
C212 C 0.12075(17) 0.27205(19) 0.16263(14) 0.0299(14) Uani 1 1 d .
C213 C 0.09899(18) 0.2970(2) 0.13814(16) 0.0366(16) Uani 1 1 d .
H213 H 0.1110 0.3070 0.1189 0.044 Uiso 1 1 calc R
C214 C 0.0583(2) 0.3073(2) 0.14242(18) 0.055(2) Uani 1 1 d .
H214 H 0.0419 0.3240 0.1258 0.066 Uiso 1 1 calc R
C215 C 0.0426(2) 0.2929(2) 0.17122(17) 0.0512(19) Uani 1 1 d .
H215 H 0.0154 0.3005 0.1750 0.061 Uiso 1 1 calc R
C216 C 0.06641(17) 0.2675(2) 0.19438(16) 0.0406(17) Uani 1 1 d .
H216 H 0.0552 0.2571 0.2139 0.049 Uiso 1 1 calc R
N221 N 0.22353(14) 0.23528(16) 0.17822(12) 0.0315(12) Uani 1 1 d .
N222 N 0.18469(14) 0.23752(15) 0.18629(12) 0.0282(11) Uani 1 1 d .
C223 C 0.16414(18) 0.26071(19) 0.16133(14) 0.0318(15) Uani 1 1 d .
C224 C 0.1896(2) 0.2719(2) 0.13647(16) 0.0414(17) Uani 1 1 d .
H224 H 0.1825 0.2879 0.1161 0.050 Uiso 1 1 calc R
C225 C 0.22587(19) 0.2549(2) 0.14797(15) 0.0391(16) Uani 1 1 d .
H225 H 0.2497 0.2564 0.1367 0.047 Uiso 1 1 calc R
C226 C 0.25522(16) 0.20848(19) 0.19644(15) 0.0316(15) Uani 1 1 d .
H22A H 0.2528 0.2105 0.2209 0.038 Uiso 1 1 calc R
H22B H 0.2822 0.2207 0.1925 0.038 Uiso 1 1 calc R
N231 N 0.45390(10) -0.02272(13) 0.15797(10) 0.0429(14) Uani 1 1 d G
C232 C 0.44737(10) -0.04854(16) 0.18587(10) 0.0572(16) Uani 1 1 d GU
C233 C 0.47730(12) -0.07819(16) 0.19948(11) 0.0661(15) Uani 1 1 d GU
H233 H 0.4728 -0.0958 0.2185 0.079 Uiso 1 1 calc R
C234 C 0.51374(11) -0.08203(16) 0.18521(13) 0.0741(15) Uani 1 1 d GU
H234 H 0.5342 -0.1023 0.1945 0.089 Uiso 1 1 calc R
C235 C 0.52026(10) -0.05620(18) 0.15731(12) 0.0758(16) Uani 1 1 d GU
H235 H 0.5452 -0.0588 0.1476 0.091 Uiso 1 1 calc R
C236 C 0.49034(11) -0.02655(16) 0.14369(10) 0.0726(18) Uani 1 1 d GU
H236 H 0.4948 -0.0089 0.1246 0.087 Uiso 1 1 calc R
N241 N 0.34701(14) -0.02051(16) 0.19704(12) 0.0337(12) Uani 1 1 d .
N242 N 0.38192(14) -0.01455(16) 0.18182(12) 0.0326(12) Uani 1 1 d .
C243 C 0.40872(17) -0.0447(2) 0.19693(15) 0.0343(15) Uani 1 1 d .
C244 C 0.39062(18) -0.0692(2) 0.22119(15) 0.0396(16) Uani 1 1 d .
H244 H 0.4028 -0.0925 0.2350 0.047 Uiso 1 1 calc R
C245 C 0.3520(2) -0.0529(2) 0.22097(15) 0.0379(16) Uani 1 1 d .
H245 H 0.3322 -0.0624 0.2350 0.045 Uiso 1 1 calc R
C246 C 0.31114(16) 0.00670(19) 0.18768(15) 0.0318(15) Uani 1 1 d .
H24A H 0.2874 -0.0078 0.1963 0.038 Uiso 1 1 calc R
H24B H 0.3058 0.0075 0.1627 0.038 Uiso 1 1 calc R
C251 C 0.25289(16) 0.1599(2) 0.18580(14) 0.0280(14) Uani 1 1 d .
C252 C 0.22149(17) 0.1451(2) 0.16317(15) 0.0339(15) Uani 1 1 d .
H252 H 0.2014 0.1656 0.1536 0.041 Uiso 1 1 calc R
C253 C 0.21874(17) 0.0992(2) 0.15393(16) 0.0367(16) Uani 1 1 d .
H253 H 0.1962 0.0892 0.1388 0.044 Uiso 1 1 calc R
C254 C 0.24771(16) 0.0695(2) 0.16641(14) 0.0326(15) Uani 1 1 d .
H254 H 0.2451 0.0388 0.1604 0.039 Uiso 1 1 calc R
C255 C 0.28184(17) 0.08441(19) 0.18848(14) 0.0283(14) Uani 1 1 d .
C256 C 0.28419(16) 0.1292(2) 0.19896(14) 0.0283(14) Uani 1 1 d .
C261 C 0.31429(17) 0.0542(2) 0.20067(14) 0.0292(14) Uani 1 1 d .
C262 C 0.34587(17) 0.0687(2) 0.22229(14) 0.0319(15) Uani 1 1 d .
H262 H 0.3670 0.0484 0.2302 0.038 Uiso 1 1 calc R
C263 C 0.34819(18) 0.1140(2) 0.23368(14) 0.0352(16) Uani 1 1 d .
H263 H 0.3705 0.1234 0.2493 0.042 Uiso 1 1 calc R
C264 C 0.31815(17) 0.1442(2) 0.22207(15) 0.0347(15) Uani 1 1 d .
H264 H 0.3199 0.1745 0.2292 0.042 Uiso 1 1 calc R
N311 N 0.09840(14) 0.20173(18) 0.25817(12) 0.0371(13) Uani 1 1 d .
C312 C 0.09756(18) 0.2304(2) 0.28390(16) 0.0375(16) Uani 1 1 d .
C313 C 0.07130(19) 0.2253(2) 0.30806(16) 0.0477(18) Uani 1 1 d .
H313 H 0.0708 0.2466 0.3257 0.057 Uiso 1 1 calc R
C314 C 0.0455(2) 0.1886(3) 0.30637(18) 0.061(2) Uani 1 1 d .
H314 H 0.0276 0.1845 0.3232 0.073 Uiso 1 1 calc R
C315 C 0.0457(2) 0.1577(3) 0.28028(17) 0.060(2) Uani 1 1 d .
H315 H 0.0286 0.1321 0.2787 0.073 Uiso 1 1 calc R
C316 C 0.07268(18) 0.1668(3) 0.25647(16) 0.051(2) Uani 1 1 d .
H316 H 0.0728 0.1469 0.2379 0.061 Uiso 1 1 calc R
N321 N 0.17785(15) 0.30318(18) 0.26880(13) 0.0408(13) Uani 1 1 d .
N322 N 0.15277(14) 0.26744(17) 0.26041(12) 0.0350(13) Uani 1 1 d .
C323 C 0.12743(18) 0.2666(2) 0.28470(15) 0.0357(16) Uani 1 1 d .
C324 C 0.1360(2) 0.3008(2) 0.30804(16) 0.0457(18) Uani 1 1 d .
H324 H 0.1224 0.3071 0.3273 0.055 Uiso 1 1 calc R
C325 C 0.1681(2) 0.3235(2) 0.29726(15) 0.0454(18) Uani 1 1 d .
H325 H 0.1813 0.3489 0.3078 0.054 Uiso 1 1 calc R
C326 C 0.20684(17) 0.3185(2) 0.24618(15) 0.0374(16) Uani 1 1 d .
H32A H 0.2188 0.2924 0.2357 0.045 Uiso 1 1 calc R
H32B H 0.2293 0.3351 0.2594 0.045 Uiso 1 1 calc R
N331 N 0.30037(14) 0.54439(18) 0.07262(12) 0.0387(13) Uani 1 1 d .
C332 C 0.29482(17) 0.5095(2) 0.05137(15) 0.0346(15) Uani 1 1 d .
C333 C 0.31264(18) 0.5070(2) 0.02148(15) 0.0397(16) Uani 1 1 d .
H333 H 0.3084 0.4815 0.0073 0.048 Uiso 1 1 calc R
C334 C 0.3362(2) 0.5416(3) 0.01287(17) 0.053(2) Uani 1 1 d .
H334 H 0.3490 0.5405 -0.0074 0.064 Uiso 1 1 calc R
C335 C 0.3414(2) 0.5780(3) 0.03377(18) 0.056(2) Uani 1 1 d .
H335 H 0.3568 0.6030 0.0278 0.067 Uiso 1 1 calc R
C336 C 0.3236(2) 0.5777(3) 0.06403(17) 0.055(2) Uani 1 1 d .
H336 H 0.3283 0.6024 0.0790 0.065 Uiso 1 1 calc R
N341 N 0.22051(14) 0.44601(17) 0.08673(12) 0.0357(13) Uani 1 1 d .
N342 N 0.24606(13) 0.48224(16) 0.08731(11) 0.0331(12) Uani 1 1 d .
C343 C 0.26601(17) 0.4754(2) 0.06035(14) 0.0357(16) Uani 1 1 d .
C344 C 0.25378(18) 0.4363(2) 0.04324(16) 0.0418(17) Uani 1 1 d .
H344 H 0.2634 0.4247 0.0234 0.050 Uiso 1 1 calc R
C345 C 0.22483(18) 0.4183(2) 0.06120(15) 0.0404(16) Uani 1 1 d .
H345 H 0.2105 0.3911 0.0564 0.048 Uiso 1 1 calc R
C346 C 0.19410(17) 0.4374(2) 0.11386(15) 0.0398(17) Uani 1 1 d .
H34A H 0.1684 0.4231 0.1038 0.048 Uiso 1 1 calc R
H34B H 0.1869 0.4662 0.1238 0.048 Uiso 1 1 calc R
C351 C 0.18595(17) 0.3490(2) 0.21830(15) 0.0338(15) Uani 1 1 d .
C352 C 0.14608(18) 0.3601(2) 0.21770(16) 0.0384(16) Uani 1 1 d .
H352 H 0.1302 0.3480 0.2340 0.046 Uiso 1 1 calc R
C353 C 0.12847(18) 0.3894(2) 0.19304(16) 0.0378(16) Uani 1 1 d .
H353 H 0.1008 0.3981 0.1935 0.045 Uiso 1 1 calc R
C354 C 0.14963(17) 0.4061(2) 0.16810(16) 0.0379(16) Uani 1 1 d .
H354 H 0.1370 0.4261 0.1516 0.045 Uiso 1 1 calc R
C355 C 0.19118(17) 0.3926(2) 0.16753(15) 0.0338(15) Uani 1 1 d .
C356 C 0.20997(17) 0.3645(2) 0.19326(15) 0.0330(15) Uani 1 1 d .
C361 C 0.21449(17) 0.4075(2) 0.14168(15) 0.0328(15) Uani 1 1 d .
C362 C 0.25421(18) 0.3948(2) 0.14236(16) 0.0384(16) Uani 1 1 d .
H362 H 0.2697 0.4048 0.1251 0.046 Uiso 1 1 calc R
C363 C 0.27252(19) 0.3673(2) 0.16803(17) 0.0446(17) Uani 1 1 d .
H363 H 0.3004 0.3589 0.1682 0.054 Uiso 1 1 calc R
C364 C 0.25118(17) 0.3525(2) 0.19241(17) 0.0382(16) Uani 1 1 d .
H364 H 0.2641 0.3336 0.2095 0.046 Uiso 1 1 calc R
N411 N -0.05305(14) 0.16416(16) 0.00383(12) 0.0325(12) Uani 1 1 d .
C412 C -0.03878(16) 0.1444(2) 0.03364(15) 0.0293(14) Uani 1 1 d .
C413 C -0.05977(18) 0.1460(2) 0.06170(15) 0.0394(17) Uani 1 1 d .
H413 H -0.0495 0.1311 0.0820 0.047 Uiso 1 1 calc R
C414 C -0.0958(2) 0.1694(2) 0.05970(18) 0.0509(19) Uani 1 1 d .
H414 H -0.1106 0.1710 0.0788 0.061 Uiso 1 1 calc R
C415 C -0.11044(19) 0.1904(2) 0.03024(19) 0.0505(19) Uani 1 1 d .
H415 H -0.1349 0.2074 0.0290 0.061 Uiso 1 1 calc R
C416 C -0.08866(18) 0.1865(2) 0.00178(17) 0.0421(17) Uani 1 1 d .
H416 H -0.0993 0.1997 -0.0190 0.050 Uiso 1 1 calc R
N421 N 0.00187(16) 0.12452(19) 0.03436(14) 0.0476(15) Uani 1 1 d .
N422 N 0.02187(13) 0.13057(15) 0.00700(11) 0.0241(11) Uani 1 1 d .
C423 C 0.05931(13) 0.11168(15) 0.01550(11) 0.0076(10) Uani 1 1 d .
C424 C 0.06204(17) 0.09389(19) 0.04647(15) 0.0335(15) Uani 1 1 d .
H424 H 0.0851 0.0787 0.0575 0.040 Uiso 1 1 calc R
C425 C 0.02566(18) 0.1014(2) 0.05960(15) 0.0354(15) Uani 1 1 d .
H425 H 0.0185 0.0927 0.0811 0.042 Uiso 1 1 calc R
C426 C 0.08964(16) 0.11123(19) -0.00743(14) 0.0280(14) Uani 1 1 d .
H42A H 0.1171 0.1113 0.0056 0.034 Uiso 1 1 calc R
H42B H 0.0871 0.1388 -0.0213 0.034 Uiso 1 1 calc R
C431 C 0.08593(15) 0.07020(19) -0.03107(14) 0.0276(14) Uani 1 1 d .
C432 C 0.06087(17) 0.03529(19) -0.02678(15) 0.0314(15) Uani 1 1 d .
H432 H 0.0449 0.0353 -0.0083 0.038 Uiso 1 1 calc R
C433 C 0.05824(17) -0.0003(2) -0.04899(16) 0.0368(16) Uani 1 1 d .
H433 H 0.0410 -0.0249 -0.0452 0.044 Uiso 1 1 calc R
C434 C 0.07980(17) -0.0010(2) -0.07620(15) 0.0378(16) Uani 1 1 d .
H434 H 0.0769 -0.0255 -0.0915 0.045 Uiso 1 1 calc R
C435 C 0.10655(15) 0.0348(2) -0.08189(15) 0.0315(15) Uani 1 1 d .
C436 C 0.11000(15) 0.07098(19) -0.05902(14) 0.0270(14) Uani 1 1 d .
C441 C 0.12854(17) 0.0366(2) -0.11061(15) 0.0362(16) Uani 1 1 d .
C442 C 0.15196(17) 0.0729(2) -0.11586(16) 0.0394(16) Uani 1 1 d .
H442 H 0.1660 0.0742 -0.1354 0.047 Uiso 1 1 calc R
C443 C 0.15550(17) 0.1087(2) -0.09248(16) 0.0402(16) Uani 1 1 d .
H443 H 0.1717 0.1339 -0.0967 0.048 Uiso 1 1 calc R
C444 C 0.13607(15) 0.10753(19) -0.06412(15) 0.0304(14) Uani 1 1 d .
H444 H 0.1399 0.1309 -0.0479 0.037 Uiso 1 1 calc R
C445 C 0.12561(18) -0.0020(2) -0.13488(17) 0.0491(19) Uani 1 1 d .
H44A H 0.1313 -0.0301 -0.1221 0.059 Uiso 1 1 calc R
H44B H 0.0974 -0.0037 -0.1464 0.059 Uiso 1 1 calc R
N511 N -0.03401(13) 0.09252(16) -0.05183(11) 0.0299(12) Uani 1 1 d .
C512 C -0.01989(17) 0.07625(19) -0.07983(14) 0.0307(12) Uani 1 1 d U
C513 C -0.03394(17) 0.0367(2) -0.09440(15) 0.0338(11) Uani 1 1 d U
H513 H -0.0231 0.0259 -0.1140 0.041 Uiso 1 1 calc R
C514 C -0.06357(17) 0.0128(2) -0.08067(15) 0.0369(11) Uani 1 1 d U
H514 H -0.0740 -0.0141 -0.0909 0.044 Uiso 1 1 calc R
C515 C -0.07777(18) 0.0289(2) -0.05180(15) 0.0368(11) Uani 1 1 d U
H515 H -0.0978 0.0128 -0.0414 0.044 Uiso 1 1 calc R
C516 C -0.06276(17) 0.0681(2) -0.03829(15) 0.0347(12) Uani 1 1 d U
H516 H -0.0729 0.0789 -0.0184 0.042 Uiso 1 1 calc R
N521 N 0.05078(13) 0.15930(16) -0.09605(12) 0.0297(12) Uani 1 1 d .
N522 N 0.02259(13) 0.14206(15) -0.07733(11) 0.0248(11) Uani 1 1 d .
C523 C 0.01072(17) 0.1040(2) -0.09365(14) 0.0318(15) Uani 1 1 d .
C524 C 0.03069(16) 0.0978(2) -0.12214(14) 0.0299(14) Uani 1 1 d .
H524 H 0.0275 0.0739 -0.1379 0.036 Uiso 1 1 calc R
C525 C 0.05563(18) 0.1336(2) -0.12252(15) 0.0370(16) Uani 1 1 d .
H525 H 0.0737 0.1394 -0.1390 0.044 Uiso 1 1 calc R
C526 C 0.07078(17) 0.2016(2) -0.08641(16) 0.0383(16) Uani 1 1 d .
H52A H 0.0984 0.2016 -0.0939 0.046 Uiso 1 1 calc R
H52B H 0.0740 0.2041 -0.0615 0.046 Uiso 1 1 calc R
C531 C 0.04750(16) 0.2420(2) -0.10124(15) 0.0302(14) Uani 1 1 d .
C532 C 0.01364(18) 0.2382(2) -0.12570(16) 0.0386(16) Uani 1 1 d .
H532 H 0.0045 0.2095 -0.1335 0.046 Uiso 1 1 calc R
C533 C -0.00670(18) 0.2764(2) -0.13859(15) 0.0371(16) Uani 1 1 d .
H533 H -0.0286 0.2735 -0.1561 0.044 Uiso 1 1 calc R
C534 C 0.00417(17) 0.3177(2) -0.12665(15) 0.0364(16) Uani 1 1 d .
H534 H -0.0113 0.3430 -0.1350 0.044 Uiso 1 1 calc R
C535 C 0.03797(17) 0.3237(2) -0.10206(14) 0.0329(15) Uani 1 1 d .
C536 C 0.06038(17) 0.2855(2) -0.08978(14) 0.0307(14) Uani 1 1 d .
C541 C 0.04847(17) 0.3662(2) -0.08775(15) 0.0329(15) Uani 1 1 d .
C542 C 0.08166(18) 0.3695(2) -0.06370(16) 0.0398(16) Uani 1 1 d .
H542 H 0.0885 0.3978 -0.0539 0.048 Uiso 1 1 calc R
C543 C 0.10590(18) 0.3319(2) -0.05318(17) 0.0414(17) Uani 1 1 d .
H543 H 0.1295 0.3355 -0.0373 0.050 Uiso 1 1 calc R
C544 C 0.09556(18) 0.2911(2) -0.06568(15) 0.0372(16) Uani 1 1 d .
H544 H 0.1118 0.2659 -0.0584 0.045 Uiso 1 1 calc R
N611 N 0.42080(14) 0.07627(18) 0.16509(12) 0.0356(13) Uani 1 1 d .
C612 C 0.39779(17) 0.1134(2) 0.15835(14) 0.0327(15) Uani 1 1 d .
C613 C 0.4088(2) 0.1544(2) 0.17178(16) 0.0421(17) Uani 1 1 d .
H613 H 0.3925 0.1799 0.1658 0.051 Uiso 1 1 calc R
C614 C 0.4430(2) 0.1582(3) 0.19357(19) 0.060(2) Uani 1 1 d .
H614 H 0.4508 0.1862 0.2034 0.072 Uiso 1 1 calc R
C615 C 0.4669(2) 0.1202(3) 0.20148(18) 0.063(2) Uani 1 1 d .
H615 H 0.4913 0.1221 0.2166 0.075 Uiso 1 1 calc R
C616 C 0.45478(19) 0.0810(3) 0.18733(16) 0.0477(18) Uani 1 1 d .
H616 H 0.4709 0.0553 0.1932 0.057 Uiso 1 1 calc R
N621 N 0.31443(13) 0.06672(16) 0.10627(12) 0.0311(12) Uani 1 1 d .
N622 N 0.35207(13) 0.06433(16) 0.12389(12) 0.0298(12) Uani 1 1 d .
C623 C 0.36034(17) 0.1060(2) 0.13533(14) 0.0298(14) Uani 1 1 d .
C624 C 0.32894(19) 0.1350(2) 0.12489(15) 0.0379(16) Uani 1 1 d .
H624 H 0.3275 0.1661 0.1295 0.045 Uiso 1 1 calc R
C625 C 0.29979(19) 0.1088(2) 0.10599(16) 0.0389(16) Uani 1 1 d .
H625 H 0.2743 0.1187 0.0950 0.047 Uiso 1 1 calc R
C626 C 0.29668(17) 0.0304(2) 0.08582(14) 0.0342(15) Uani 1 1 d .
H62A H 0.2666 0.0338 0.0830 0.041 Uiso 1 1 calc R
H62B H 0.3033 0.0019 0.0978 0.041 Uiso 1 1 calc R
C631 C 0.31170(16) 0.0281(2) 0.05086(15) 0.0343(15) Uani 1 1 d .
C632 C 0.33576(17) 0.0606(2) 0.04008(15) 0.0335(15) Uani 1 1 d .
H632 H 0.3417 0.0861 0.0539 0.040 Uiso 1 1 calc R
C633 C 0.35213(18) 0.0579(2) 0.00929(16) 0.0412(17) Uani 1 1 d .
H633 H 0.3686 0.0814 0.0023 0.049 Uiso 1 1 calc R
C634 C 0.34415(17) 0.0209(2) -0.01077(15) 0.0401(17) Uani 1 1 d .
H634 H 0.3562 0.0185 -0.0312 0.048 Uiso 1 1 calc R
C635 C 0.31810(17) -0.0138(2) -0.00150(15) 0.0397(16) Uani 1 1 d .
C636 C 0.30050(16) -0.0098(2) 0.02989(14) 0.0316(15) Uani 1 1 d .
C641 C 0.30851(18) -0.0508(2) -0.02207(15) 0.0387(16) Uani 1 1 d .
C642 C 0.2834(2) -0.0833(2) -0.01289(15) 0.0445(18) Uani 1 1 d .
H642 H 0.2779 -0.1088 -0.0269 0.053 Uiso 1 1 calc R
C643 C 0.26468(18) -0.0791(2) 0.01850(19) 0.0504(19) Uani 1 1 d .
H643 H 0.2462 -0.1012 0.0247 0.060 Uiso 1 1 calc R
C644 C 0.27405(18) -0.0431(2) 0.03872(16) 0.0395(16) Uani 1 1 d .
H644 H 0.2623 -0.0406 0.0593 0.047 Uiso 1 1 calc R
N711 N 0.38024(14) -0.03759(16) 0.10694(13) 0.0359(13) Uani 1 1 d .
C712 C 0.39531(17) -0.0403(2) 0.07694(16) 0.0352(15) Uani 1 1 d .
C713 C 0.38414(19) -0.0750(2) 0.05483(17) 0.0438(17) Uani 1 1 d .
H713 H 0.3947 -0.0758 0.0336 0.053 Uiso 1 1 calc R
C714 C 0.3589(2) -0.1074(2) 0.06262(19) 0.0513(19) Uani 1 1 d .
H714 H 0.3517 -0.1312 0.0474 0.062 Uiso 1 1 calc R
C715 C 0.3436(2) -0.1053(2) 0.09357(18) 0.0486(18) Uani 1 1 d .
H715 H 0.3258 -0.1279 0.1001 0.058 Uiso 1 1 calc R
C716 C 0.35453(18) -0.0696(2) 0.11480(18) 0.0419(17) Uani 1 1 d .
H716 H 0.3434 -0.0678 0.1357 0.050 Uiso 1 1 calc R
N721 N 0.46127(14) 0.05318(17) 0.08198(13) 0.0372(13) Uani 1 1 d .
N722 N 0.43116(13) 0.02780(17) 0.09364(13) 0.0354(13) Uani 1 1 d .
C723 C 0.42399(18) -0.0049(2) 0.07047(15) 0.0354(15) Uani 1 1 d .
C724 C 0.4480(2) -0.0001(2) 0.04464(17) 0.0485(18) Uani 1 1 d .
H724 H 0.4481 -0.0185 0.0252 0.058 Uiso 1 1 calc R
C725 C 0.4715(2) 0.0362(2) 0.05255(16) 0.0460(18) Uani 1 1 d .
H725 H 0.4917 0.0478 0.0397 0.055 Uiso 1 1 calc R
C726 C 0.47621(18) 0.0933(2) 0.09869(16) 0.0381(16) Uani 1 1 d .
H72A H 0.5048 0.0982 0.0942 0.046 Uiso 1 1 calc R
H72B H 0.4762 0.0894 0.1234 0.046 Uiso 1 1 calc R
N811 N 0.29169(16) 0.60473(19) 0.13611(12) 0.0419(14) Uani 1 1 d .
C812 C 0.2692(2) 0.6409(2) 0.12648(17) 0.0486(18) Uani 1 1 d .
C813 C 0.2849(2) 0.6847(2) 0.13412(18) 0.063(2) Uani 1 1 d .
H813 H 0.2698 0.7101 0.1257 0.076 Uiso 1 1 calc R
C814 C 0.3212(3) 0.6899(3) 0.1533(2) 0.073(3) Uani 1 1 d .
H814 H 0.3317 0.7188 0.1591 0.088 Uiso 1 1 calc R
C815 C 0.3425(2) 0.6515(3) 0.16423(18) 0.055(2) Uani 1 1 d .
H815 H 0.3679 0.6540 0.1780 0.066 Uiso 1 1 calc R
C816 C 0.3273(2) 0.6104(2) 0.15528(17) 0.0458(18) Uani 1 1 d .
H816 H 0.3426 0.5847 0.1630 0.055 Uiso 1 1 calc R
N821 N 0.18661(18) 0.5922(2) 0.07483(14) 0.0563(16) Uani 1 1 d .
N822 N 0.22472(16) 0.59144(19) 0.09279(13) 0.0471(15) Uani 1 1 d .
C823 C 0.2308(2) 0.6336(2) 0.10515(17) 0.0486(18) Uani 1 1 d .
C824 C 0.1980(2) 0.6602(3) 0.0946(2) 0.072(2) Uani 1 1 d .
H824 H 0.1948 0.6910 0.0994 0.086 Uiso 1 1 calc R
C825 C 0.1706(3) 0.6332(3) 0.07564(19) 0.074(3) Uani 1 1 d .
H825 H 0.1447 0.6421 0.0649 0.089 Uiso 1 1 calc R
C826 C 0.17220(19) 0.5547(2) 0.05454(15) 0.0477(18) Uani 1 1 d .
H82A H 0.1422 0.5572 0.0491 0.057 Uiso 1 1 calc R
H82B H 0.1778 0.5270 0.0679 0.057 Uiso 1 1 calc R
N911 N 0.22841(14) 0.53125(18) 0.15485(12) 0.0390(13) Uani 1 1 d .
C912 C 0.24495(17) 0.5079(2) 0.18159(15) 0.0334(15) Uani 1 1 d .
C913 C 0.22251(19) 0.4948(2) 0.20714(16) 0.0413(16) Uani 1 1 d .
H913 H 0.2346 0.4770 0.2253 0.050 Uiso 1 1 calc R
C914 C 0.1835(2) 0.5077(2) 0.20587(17) 0.0450(18) Uani 1 1 d .
H914 H 0.1678 0.4989 0.2234 0.054 Uiso 1 1 calc R
C915 C 0.1657(2) 0.5334(2) 0.17968(17) 0.0443(17) Uani 1 1 d .
H915 H 0.1383 0.5435 0.1790 0.053 Uiso 1 1 calc R
C916 C 0.18925(18) 0.5439(2) 0.15453(15) 0.0413(17) Uani 1 1 d .
H916 H 0.1772 0.5610 0.1359 0.050 Uiso 1 1 calc R
N921 N 0.34569(15) 0.49779(19) 0.16025(13) 0.0452(15) Uani 1 1 d .
N922 N 0.30600(14) 0.50788(17) 0.15297(12) 0.0365(13) Uani 1 1 d .
C923 C 0.28868(18) 0.4970(2) 0.18066(15) 0.0387(16) Uani 1 1 d .
C924 C 0.31751(19) 0.4797(2) 0.20552(17) 0.0500(19) Uani 1 1 d .
H924 H 0.3134 0.4692 0.2274 0.060 Uiso 1 1 calc R
C925 C 0.3528(2) 0.4814(3) 0.19100(19) 0.061(2) Uani 1 1 d .
H925 H 0.3788 0.4721 0.2015 0.074 Uiso 1 1 calc R
B11 B 0.17470(17) 0.0483(2) 0.06784(14) 0.0369(18) Uiso 1 1 d D
F12 F 0.15268(9) 0.04872(11) 0.03629(7) 0.0621(11) Uiso 1 1 d D
F13 F 0.20347(9) 0.08295(10) 0.07061(8) 0.0533(10) Uiso 1 1 d D
F14 F 0.19544(10) 0.00748(10) 0.07313(9) 0.0799(13) Uiso 1 1 d D
F15 F 0.14848(9) 0.05367(10) 0.09285(7) 0.0519(10) Uiso 1 1 d D
B21 B 0.13181(16) 0.33662(18) 0.04994(14) 0.0246(15) Uiso 1 1 d D
F22 F 0.13203(15) 0.29204(15) 0.05872(13) 0.140(2) Uiso 1 1 d D
F23 F 0.16505(13) 0.34194(17) 0.02898(12) 0.122(2) Uiso 1 1 d D
F24 F 0.09657(13) 0.34609(16) 0.02853(11) 0.1134(18) Uiso 1 1 d D
F25 F 0.13779(15) 0.36391(17) 0.07588(12) 0.131(2) Uiso 1 1 d D
B31 B 0.99033(18) 0.0601(2) 0.15236(15) 0.0427(19) Uiso 1 1 d D
F32 F 1.02329(9) 0.05693(11) 0.13410(8) 0.0569(10) Uiso 1 1 d D
F33 F 1.00265(9) 0.08040(10) 0.18376(7) 0.0548(10) Uiso 1 1 d D
F34 F 0.97595(10) 0.01690(10) 0.15869(8) 0.0697(12) Uiso 1 1 d D
F35 F 0.95916(10) 0.08468(12) 0.13528(9) 0.0965(16) Uiso 1 1 d D
B41 B 0.5582(3) 0.0390(3) 0.2163(2) 0.145(6) Uiso 1 1 d D
F42 F 0.5695(5) 0.0796(4) 0.2334(3) 0.535(14) Uiso 1 1 d D
F43 F 0.5228(3) 0.0215(4) 0.2284(3) 0.331(7) Uiso 1 1 d D
F44 F 0.5484(3) 0.0495(3) 0.1808(2) 0.209(4) Uiso 1 1 d D
F45 F 0.5901(3) 0.0084(4) 0.2200(3) 0.293(6) Uiso 1 1 d D
B51 B 0.3553(2) 0.2746(3) 0.16142(19) 0.077(3) Uiso 1 1 d D
F52 F 0.3363(2) 0.2463(2) 0.14014(16) 0.198(3) Uiso 1 1 d D
F53 F 0.39409(16) 0.2585(2) 0.17431(16) 0.174(3) Uiso 1 1 d D
F54 F 0.36100(16) 0.31578(17) 0.14753(13) 0.125(2) Uiso 1 1 d D
F55 F 0.33407(18) 0.2811(2) 0.18958(14) 0.171(3) Uiso 1 1 d D
O11 O 0.15484(15) 0.20101(18) 0.98642(13) 0.0660(14) Uiso 1 1 d D
C12 C 0.1764(4) 0.2414(4) 0.9978(3) 0.141(4) Uiso 1 1 d D
H12C H 0.1567 0.2641 1.0031 0.212 Uiso 1 1 calc R
H12D H 0.1919 0.2525 0.9799 0.212 Uiso 1 1 calc R
H12E H 0.1953 0.2348 1.0180 0.212 Uiso 1 1 calc R
O21 O 0.2510(4) 0.1582(4) 0.0235(3) 0.238(5) Uiso 1 1 d D
C22 C 0.2105(2) 0.1375(2) 0.01428(18) 0.0555(19) Uiso 1 1 d D
H22C H 0.2050 0.1159 0.0317 0.083 Uiso 1 1 calc R
H22D H 0.2102 0.1223 -0.0075 0.083 Uiso 1 1 calc R
H22E H 0.1894 0.1608 0.0126 0.083 Uiso 1 1 calc R
O31 O 0.9227(3) 0.3030(4) 0.1286(3) 0.174(4) Uiso 1 1 d D
C32 C 0.9441(5) 0.3434(5) 0.1239(4) 0.196(7) Uiso 1 1 d D
H32C H 0.9271 0.3629 0.1083 0.295 Uiso 1 1 calc R
H32D H 0.9696 0.3365 0.1144 0.295 Uiso 1 1 calc R
H32E H 0.9504 0.3586 0.1456 0.295 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
O O 0.0106 0.0060 '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
N322 Co1 N111 93.64(19) . .
N322 Co1 N211 91.72(18) . .
N111 Co1 N211 171.47(17) . .
N322 Co1 N122 160.06(18) . .
N111 Co1 N122 76.74(19) . .
N211 Co1 N122 100.07(18) . .
N322 Co1 N222 102.15(17) . .
N111 Co1 N222 95.25(17) . .
N211 Co1 N222 77.11(17) . .
N122 Co1 N222 96.16(17) . .
N322 Co1 N311 75.56(19) . .
N111 Co1 N311 92.94(17) . .
N211 Co1 N311 94.83(17) . .
N122 Co1 N311 87.39(19) . .
N222 Co1 N311 171.63(18) . .
N142 Co2 N422 101.68(17) . .
N142 Co2 N511 168.16(18) . .
N422 Co2 N511 90.06(17) . .
N142 Co2 N131 76.33(19) . .
N422 Co2 N131 168.35(17) . .
N511 Co2 N131 92.45(19) . .
N142 Co2 N522 99.36(17) . .
N422 Co2 N522 102.94(16) . .
N511 Co2 N522 76.28(16) . .
N131 Co2 N522 88.71(17) . .
N142 Co2 N411 89.19(17) . .
N422 Co2 N411 75.72(17) . .
N511 Co2 N411 95.21(17) . .
N131 Co2 N411 92.71(18) . .
N522 Co2 N411 171.43(17) . .
N611 Co3 N711 174.37(19) . .
N611 Co3 N722 99.41(19) . .
N711 Co3 N722 76.99(19) . .
N611 Co3 N242 93.78(18) . .
N711 Co3 N242 90.85(19) . .
N722 Co3 N242 160.04(19) . .
N611 Co3 N622 76.92(19) . .
N711 Co3 N622 98.95(18) . .
N722 Co3 N622 95.07(17) . .
N242 Co3 N622 102.51(17) . .
N611 Co3 N231 95.68(18) . .
N711 Co3 N231 88.54(17) . .
N722 Co3 N231 87.76(16) . .
N242 Co3 N231 76.01(16) . .
N622 Co3 N231 172.41(18) . .
N822 Co4 N331 90.91(19) . .
N822 Co4 N922 159.25(19) . .
N331 Co4 N922 103.75(18) . .
N822 Co4 N911 90.8(2) . .
N331 Co4 N911 172.0(2) . .
N922 Co4 N911 76.69(18) . .
N822 Co4 N342 102.3(2) . .
N331 Co4 N342 77.26(18) . .
N922 Co4 N342 95.31(19) . .
N911 Co4 N342 94.75(18) . .
N822 Co4 N811 76.4(2) . .
N331 Co4 N811 93.50(19) . .
N922 Co4 N811 87.9(2) . .
N911 Co4 N811 94.49(19) . .
N342 Co4 N811 170.69(18) . .
C116 N111 C112 117.6(5) . .
C116 N111 Co1 126.6(4) . .
C112 N111 Co1 115.6(4) . .
N111 C112 C113 122.8(6) . .
N111 C112 C123 115.7(5) . .
C113 C112 C123 121.6(6) . .
C114 C113 C112 116.9(6) . .
C114 C113 H113 121.5 . .
C112 C113 H113 121.5 . .
C113 C114 C115 120.7(6) . .
C113 C114 H114 119.6 . .
C115 C114 H114 119.6 . .
C116 C115 C114 119.0(6) . .
C116 C115 H115 120.5 . .
C114 C115 H115 120.5 . .
N111 C116 C115 122.9(6) . .
N111 C116 H116 118.5 . .
C115 C116 H116 118.5 . .
C125 N121 N122 110.9(5) . .
C125 N121 C126 126.7(6) . .
N122 N121 C126 122.2(5) . .
C123 N122 N121 105.0(5) . .
C123 N122 Co1 114.7(4) . .
N121 N122 Co1 139.0(4) . .
N122 C123 C124 112.0(6) . .
N122 C123 C112 116.9(6) . .
C124 C123 C112 131.0(6) . .
C123 C124 C125 104.5(6) . .
C123 C124 H124 127.8 . .
C125 C124 H124 127.8 . .
N121 C125 C124 107.6(6) . .
N121 C125 H125 126.2 . .
C124 C125 H125 126.2 . .
N121 C126 C151 113.7(5) . .
N121 C126 H12A 108.8 . .
C151 C126 H12A 108.8 . .
N121 C126 H12B 108.8 . .
C151 C126 H12B 108.8 . .
H12A C126 H12B 107.7 . .
C136 N131 C132 118.0(5) . .
C136 N131 Co2 126.4(4) . .
C132 N131 Co2 115.5(4) . .
N131 C132 C133 121.1(6) . .
N131 C132 C143 115.2(5) . .
C133 C132 C143 123.7(6) . .
C134 C133 C132 119.6(7) . .
C134 C133 H133 120.2 . .
C132 C133 H133 120.2 . .
C133 C134 C135 120.4(7) . .
C133 C134 H134 119.8 . .
C135 C134 H134 119.8 . .
C136 C135 C134 117.8(7) . .
C136 C135 H135 121.1 . .
C134 C135 H135 121.1 . .
N131 C136 C135 123.0(7) . .
N131 C136 H136 118.5 . .
C135 C136 H136 118.5 . .
C145 N141 N142 111.5(5) . .
C145 N141 C146 126.4(5) . .
N142 N141 C146 121.8(5) . .
C143 N142 N141 104.6(5) . .
C143 N142 Co2 114.1(4) . .
N141 N142 Co2 140.7(4) . .
N142 C143 C144 111.0(5) . .
N142 C143 C132 118.0(5) . .
C144 C143 C132 131.0(6) . .
C145 C144 C143 105.7(6) . .
C145 C144 H144 127.2 . .
C143 C144 H144 127.2 . .
N141 C145 C144 107.2(6) . .
N141 C145 H145 126.4 . .
C144 C145 H145 126.4 . .
N141 C146 C161 113.7(5) . .
N141 C146 H14A 108.8 . .
C161 C146 H14A 108.8 . .
N141 C146 H14B 108.8 . .
C161 C146 H14B 108.8 . .
H14A C146 H14B 107.7 . .
C152 C151 C156 119.8(5) . .
C152 C151 C126 121.7(6) . .
C156 C151 C126 118.5(5) . .
C151 C152 C153 121.4(6) . .
C151 C152 H152 119.3 . .
C153 C152 H152 119.3 . .
C154 C153 C152 120.8(5) . .
C154 C153 H153 119.6 . .
C152 C153 H153 119.6 . .
C153 C154 C155 121.0(5) . .
C153 C154 H154 119.5 . .
C155 C154 H154 119.5 . .
C154 C155 C161 123.3(5) . .
C154 C155 C156 118.6(5) . .
C161 C155 C156 118.2(5) . .
C164 C156 C151 123.6(5) . .
C164 C156 C155 118.2(5) . .
C151 C156 C155 118.2(5) . .
C162 C161 C155 121.7(5) . .
C162 C161 C146 120.3(5) . .
C155 C161 C146 118.0(5) . .
C161 C162 C163 118.8(6) . .
C161 C162 H162 120.6 . .
C163 C162 H162 120.6 . .
C164 C163 C162 121.3(6) . .
C164 C163 H163 119.3 . .
C162 C163 H163 119.3 . .
C163 C164 C156 121.7(5) . .
C163 C164 H164 119.1 . .
C156 C164 H164 119.1 . .
C216 N211 C212 118.0(5) . .
C216 N211 Co1 125.5(4) . .
C212 N211 Co1 116.5(3) . .
N211 C212 C213 123.7(5) . .
N211 C212 C223 114.1(5) . .
C213 C212 C223 122.2(5) . .
C212 C213 C214 117.7(6) . .
C212 C213 H213 121.2 . .
C214 C213 H213 121.2 . .
C215 C214 C213 119.0(6) . .
C215 C214 H214 120.5 . .
C213 C214 H214 120.5 . .
C216 C215 C214 119.4(6) . .
C216 C215 H215 120.3 . .
C214 C215 H215 120.3 . .
N211 C216 C215 122.1(6) . .
N211 C216 H216 118.9 . .
C215 C216 H216 118.9 . .
C225 N221 N222 109.9(5) . .
C225 N221 C226 125.4(5) . .
N222 N221 C226 123.8(4) . .
C223 N222 N221 105.2(4) . .
C223 N222 Co1 111.5(3) . .
N221 N222 Co1 143.3(4) . .
N222 C223 C224 110.8(5) . .
N222 C223 C212 120.4(5) . .
C224 C223 C212 128.8(6) . .
C225 C224 C223 104.5(6) . .
C225 C224 H224 127.7 . .
C223 C224 H224 127.7 . .
C224 C225 N221 109.5(5) . .
C224 C225 H225 125.2 . .
N221 C225 H225 125.2 . .
N221 C226 C251 112.4(5) . .
N221 C226 H22A 109.1 . .
C251 C226 H22A 109.1 . .
N221 C226 H22B 109.1 . .
C251 C226 H22B 109.1 . .
H22A C226 H22B 107.8 . .
C232 N231 C236 120.0 . .
C232 N231 Co3 114.12(18) . .
C236 N231 Co3 125.71(18) . .
C233 C232 N231 120.0 . .
C233 C232 C243 124.0(3) . .
N231 C232 C243 115.8(3) . .
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 . .
C234 C235 C236 120.0 . .
C234 C235 H235 120.0 . .
C236 C235 H235 120.0 . .
C235 C236 N231 120.0 . .
C235 C236 H236 120.0 . .
N231 C236 H236 120.0 . .
C245 N241 N242 111.3(5) . .
C245 N241 C246 127.8(5) . .
N242 N241 C246 120.9(5) . .
C243 N242 N241 104.7(4) . .
C243 N242 Co3 114.7(4) . .
N241 N242 Co3 139.5(4) . .
N242 C243 C232 119.0(5) . .
N242 C243 C244 110.4(5) . .
C232 C243 C244 130.5(5) . .
C245 C244 C243 106.2(5) . .
C245 C244 H244 126.9 . .
C243 C244 H244 126.9 . .
N241 C245 C244 107.4(5) . .
N241 C245 H245 126.3 . .
C244 C245 H245 126.3 . .
N241 C246 C261 114.7(5) . .
N241 C246 H24A 108.6 . .
C261 C246 H24A 108.6 . .
N241 C246 H24B 108.6 . .
C261 C246 H24B 108.6 . .
H24A C246 H24B 107.6 . .
C252 C251 C256 119.5(5) . .
C252 C251 C226 120.4(5) . .
C256 C251 C226 120.1(5) . .
C251 C252 C253 120.3(6) . .
C251 C252 H252 119.8 . .
C253 C252 H252 119.8 . .
C254 C253 C252 121.1(6) . .
C254 C253 H253 119.4 . .
C252 C253 H253 119.4 . .
C253 C254 C255 119.7(6) . .
C253 C254 H254 120.1 . .
C255 C254 H254 120.1 . .
C256 C255 C254 119.9(5) . .
C256 C255 C261 119.0(5) . .
C254 C255 C261 121.1(5) . .
C255 C256 C251 119.3(5) . .
C255 C256 C264 120.1(5) . .
C251 C256 C264 120.5(5) . .
C262 C261 C255 120.3(6) . .
C262 C261 C246 122.6(5) . .
C255 C261 C246 117.0(5) . .
C261 C262 C263 121.2(6) . .
C261 C262 H262 119.4 . .
C263 C262 H262 119.4 . .
C264 C263 C262 120.3(6) . .
C264 C263 H263 119.8 . .
C262 C263 H263 119.8 . .
C263 C264 C256 119.0(6) . .
C263 C264 H264 120.5 . .
C256 C264 H264 120.5 . .
C312 N311 C316 118.1(5) . .
C312 N311 Co1 115.6(4) . .
C316 N311 Co1 126.3(4) . .
N311 C312 C313 122.2(6) . .
N311 C312 C323 114.8(5) . .
C313 C312 C323 122.9(6) . .
C312 C313 C314 119.1(7) . .
C312 C313 H313 120.4 . .
C314 C313 H313 120.4 . .
C313 C314 C315 120.6(6) . .
C313 C314 H314 119.7 . .
C315 C314 H314 119.7 . .
C314 C315 C316 115.7(7) . .
C314 C315 H315 122.1 . .
C316 C315 H315 122.1 . .
N311 C316 C315 124.3(7) . .
N311 C316 H316 117.9 . .
C315 C316 H316 117.9 . .
C325 N321 N322 111.2(5) . .
C325 N321 C326 127.4(6) . .
N322 N321 C326 120.9(5) . .
C323 N322 N321 104.2(5) . .
C323 N322 Co1 116.1(4) . .
N321 N322 Co1 139.7(4) . .
N322 C323 C324 111.8(6) . .
N322 C323 C312 117.9(5) . .
C324 C323 C312 130.2(5) . .
C325 C324 C323 105.2(5) . .
C325 C324 H324 127.4 . .
C323 C324 H324 127.4 . .
N321 C325 C324 107.7(6) . .
N321 C325 H325 126.1 . .
C324 C325 H325 126.1 . .
N321 C326 C351 111.2(5) . .
N321 C326 H32A 109.4 . .
C351 C326 H32A 109.4 . .
N321 C326 H32B 109.4 . .
C351 C326 H32B 109.4 . .
H32A C326 H32B 108.0 . .
C336 N331 C332 117.6(5) . .
C336 N331 Co4 126.9(5) . .
C332 N331 Co4 115.3(4) . .
N331 C332 C333 122.9(6) . .
N331 C332 C343 115.7(5) . .
C333 C332 C343 121.3(6) . .
C334 C333 C332 118.9(6) . .
C334 C333 H333 120.6 . .
C332 C333 H333 120.6 . .
C333 C334 C335 119.1(6) . .
C333 C334 H334 120.4 . .
C335 C334 H334 120.4 . .
C334 C335 C336 118.9(7) . .
C334 C335 H335 120.5 . .
C336 C335 H335 120.5 . .
N331 C336 C335 122.5(7) . .
N331 C336 H336 118.7 . .
C335 C336 H336 118.7 . .
C345 N341 N342 112.8(5) . .
C345 N341 C346 124.6(5) . .
N342 N341 C346 122.3(5) . .
C343 N342 N341 102.8(5) . .
C343 N342 Co4 112.8(4) . .
N341 N342 Co4 144.3(3) . .
N342 C343 C344 112.4(5) . .
N342 C343 C332 118.7(6) . .
C344 C343 C332 128.8(5) . .
C345 C344 C343 104.8(5) . .
C345 C344 H344 127.6 . .
C343 C344 H344 127.6 . .
N341 C345 C344 107.1(6) . .
N341 C345 H345 126.4 . .
C344 C345 H345 126.4 . .
N341 C346 C361 112.7(5) . .
N341 C346 H34A 109.0 . .
C361 C346 H34A 109.0 . .
N341 C346 H34B 109.0 . .
C361 C346 H34B 109.0 . .
H34A C346 H34B 107.8 . .
C352 C351 C356 121.7(6) . .
C352 C351 C326 120.8(5) . .
C356 C351 C326 117.5(5) . .
C351 C352 C353 119.5(6) . .
C351 C352 H352 120.2 . .
C353 C352 H352 120.2 . .
C354 C353 C352 122.4(6) . .
C354 C353 H353 118.8 . .
C352 C353 H353 118.8 . .
C353 C354 C355 118.4(6) . .
C353 C354 H354 120.8 . .
C355 C354 H354 120.8 . .
C356 C355 C361 118.8(5) . .
C356 C355 C354 119.8(5) . .
C361 C355 C354 121.3(6) . .
C364 C356 C355 118.6(5) . .
C364 C356 C351 123.3(6) . .
C355 C356 C351 118.1(5) . .
C362 C361 C355 119.7(6) . .
C362 C361 C346 121.6(5) . .
C355 C361 C346 118.8(5) . .
C361 C362 C363 120.9(6) . .
C361 C362 H362 119.5 . .
C363 C362 H362 119.5 . .
C364 C363 C362 120.5(6) . .
C364 C363 H363 119.7 . .
C362 C363 H363 119.7 . .
C363 C364 C356 121.4(6) . .
C363 C364 H364 119.3 . .
C356 C364 H364 119.3 . .
C416 N411 C412 118.8(5) . .
C416 N411 Co2 125.7(4) . .
C412 N411 Co2 115.5(3) . .
N411 C412 C413 122.5(5) . .
N411 C412 N421 114.8(5) . .
C413 C412 N421 122.6(6) . .
C414 C413 C412 118.6(6) . .
C414 C413 H413 120.7 . .
C412 C413 H413 120.7 . .
C415 C414 C413 120.1(6) . .
C415 C414 H414 119.9 . .
C413 C414 H414 119.9 . .
C414 C415 C416 119.2(6) . .
C414 C415 H415 120.4 . .
C416 C415 H415 120.4 . .
N411 C416 C415 120.7(6) . .
N411 C416 H416 119.6 . .
C415 C416 H416 119.6 . .
N422 N421 C425 111.4(5) . .
N422 N421 C412 117.3(5) . .
C425 N421 C412 131.1(5) . .
N421 N422 C423 104.7(4) . .
N421 N422 Co2 115.7(4) . .
C423 N422 Co2 139.1(3) . .
C424 C423 N422 111.0(4) . .
C424 C423 C426 127.4(5) . .
N422 C423 C426 121.6(4) . .
C423 C424 C425 108.3(5) . .
C423 C424 H424 125.8 . .
C425 C424 H424 125.8 . .
C424 C425 N421 104.5(5) . .
C424 C425 H425 127.8 . .
N421 C425 H425 127.8 . .
C423 C426 C431 112.6(4) . .
C423 C426 H42A 109.1 . .
C431 C426 H42A 109.1 . .
C423 C426 H42B 109.1 . .
C431 C426 H42B 109.1 . .
H42A C426 H42B 107.8 . .
C432 C431 C436 120.5(5) . .
C432 C431 C426 123.0(5) . .
C436 C431 C426 116.5(5) . .
C431 C432 C433 120.6(5) . .
C431 C432 H432 119.7 . .
C433 C432 H432 119.7 . .
C434 C433 C432 121.3(6) . .
C434 C433 H433 119.3 . .
C432 C433 H433 119.3 . .
C433 C434 C435 120.3(6) . .
C433 C434 H434 119.8 . .
C435 C434 H434 119.8 . .
C436 C435 C434 118.8(5) . .
C436 C435 C441 118.7(5) . .
C434 C435 C441 122.5(6) . .
C435 C436 C444 120.3(5) . .
C435 C436 C431 118.4(5) . .
C444 C436 C431 121.2(5) . .
C442 C441 C435 120.1(6) . .
C442 C441 C445 120.7(5) . .
C435 C441 C445 119.2(6) . .
C441 C442 C443 120.6(6) . .
C441 C442 H442 119.7 . .
C443 C442 H442 119.7 . .
C444 C443 C442 121.0(6) . .
C444 C443 H443 119.5 . .
C442 C443 H443 119.5 . .
C443 C444 C436 119.2(6) . .
C443 C444 H444 120.4 . .
C436 C444 H444 120.4 . .
N921 C445 C441 112.3(5) 7 .
N921 C445 H44A 109.1 7 .
C441 C445 H44A 109.1 . .
N921 C445 H44B 109.1 7 .
C441 C445 H44B 109.1 . .
H44A C445 H44B 107.9 . .
C512 N511 C516 117.2(5) . .
C512 N511 Co2 116.2(4) . .
C516 N511 Co2 126.2(4) . .
N511 C512 C513 121.9(5) . .
N511 C512 C523 115.1(5) . .
C513 C512 C523 122.9(5) . .
C514 C513 C512 120.0(6) . .
C514 C513 H513 120.0 . .
C512 C513 H513 120.0 . .
C513 C514 C515 118.4(6) . .
C513 C514 H514 120.8 . .
C515 C514 H514 120.8 . .
C516 C515 C514 119.3(6) . .
C516 C515 H515 120.4 . .
C514 C515 H515 120.4 . .
N511 C516 C515 123.2(5) . .
N511 C516 H516 118.4 . .
C515 C516 H516 118.4 . .
C525 N521 N522 111.5(5) . .
C525 N521 C526 128.4(5) . .
N522 N521 C526 120.1(5) . .
C523 N522 N521 103.6(4) . .
C523 N522 Co2 113.3(3) . .
N521 N522 Co2 142.4(4) . .
N522 C523 C524 111.6(5) . .
N522 C523 C512 118.3(5) . .
C524 C523 C512 130.1(6) . .
C525 C524 C523 104.4(5) . .
C525 C524 H524 127.8 . .
C523 C524 H524 127.8 . .
N521 C525 C524 108.8(5) . .
N521 C525 H525 125.6 . .
C524 C525 H525 125.6 . .
N521 C526 C531 113.4(5) . .
N521 C526 H52A 108.9 . .
C531 C526 H52A 108.9 . .
N521 C526 H52B 108.9 . .
C531 C526 H52B 108.9 . .
H52A C526 H52B 107.7 . .
C532 C531 C536 118.8(5) . .
C532 C531 C526 122.2(5) . .
C536 C531 C526 118.9(5) . .
C533 C532 C531 120.1(6) . .
C533 C532 H532 120.0 . .
C531 C532 H532 120.0 . .
C534 C533 C532 121.4(6) . .
C534 C533 H533 119.3 . .
C532 C533 H533 119.3 . .
C533 C534 C535 120.9(6) . .
C533 C534 H534 119.5 . .
C535 C534 H534 119.5 . .
C534 C535 C536 118.6(6) . .
C534 C535 C541 121.9(6) . .
C536 C535 C541 119.4(5) . .
C535 C536 C531 120.0(5) . .
C535 C536 C544 119.2(6) . .
C531 C536 C544 120.8(6) . .
C542 C541 C535 118.9(6) . .
C542 C541 C726 120.5(6) . 7
C535 C541 C726 120.6(5) . 7
C541 C542 C543 121.9(6) . .
C541 C542 H542 119.1 . .
C543 C542 H542 119.1 . .
C544 C543 C542 120.0(6) . .
C544 C543 H543 120.0 . .
C542 C543 H543 120.0 . .
C543 C544 C536 120.5(6) . .
C543 C544 H544 119.8 . .
C536 C544 H544 119.8 . .
C612 N611 C616 116.5(6) . .
C612 N611 Co3 116.8(4) . .
C616 N611 Co3 126.6(5) . .
N611 C612 C613 122.6(6) . .
N611 C612 C623 114.3(5) . .
C613 C612 C623 123.1(6) . .
C614 C613 C612 119.5(7) . .
C614 C613 H613 120.2 . .
C612 C613 H613 120.2 . .
C613 C614 C615 119.0(7) . .
C613 C614 H614 120.5 . .
C615 C614 H614 120.5 . .
C616 C615 C614 118.8(7) . .
C616 C615 H615 120.6 . .
C614 C615 H615 120.6 . .
C615 C616 N611 123.5(7) . .
C615 C616 H616 118.3 . .
N611 C616 H616 118.3 . .
C625 N621 N622 111.1(5) . .
C625 N621 C626 125.3(5) . .
N622 N621 C626 122.8(5) . .
C623 N622 N621 105.4(4) . .
C623 N622 Co3 112.9(4) . .
N621 N622 Co3 141.8(4) . .
N622 C623 C624 111.5(5) . .
N622 C623 C612 118.4(5) . .
C624 C623 C612 129.9(6) . .
C623 C624 C625 104.7(6) . .
C623 C624 H624 127.6 . .
C625 C624 H624 127.6 . .
N621 C625 C624 107.4(5) . .
N621 C625 H625 126.3 . .
C624 C625 H625 126.3 . .
N621 C626 C631 113.3(5) . .
N621 C626 H62A 108.9 . .
C631 C626 H62A 108.9 . .
N621 C626 H62B 108.9 . .
C631 C626 H62B 108.9 . .
H62A C626 H62B 107.7 . .
C632 C631 C636 120.4(5) . .
C632 C631 C626 121.0(6) . .
C636 C631 C626 118.6(5) . .
C631 C632 C633 122.3(6) . .
C631 C632 H632 118.9 . .
C633 C632 H632 118.9 . .
C634 C633 C632 119.4(6) . .
C634 C633 H633 120.3 . .
C632 C633 H633 120.3 . .
C633 C634 C635 121.3(6) . .
C633 C634 H634 119.4 . .
C635 C634 H634 119.4 . .
C641 C635 C634 122.1(6) . .
C641 C635 C636 119.3(6) . .
C634 C635 C636 118.6(6) . .
C644 C636 C631 123.1(5) . .
C644 C636 C635 119.0(6) . .
C631 C636 C635 117.9(5) . .
C642 C641 C635 121.1(6) . .
C642 C641 C826 120.4(6) . 7
C635 C641 C826 118.5(6) . 7
C641 C642 C643 119.9(6) . .
C641 C642 H642 120.1 . .
C643 C642 H642 120.1 . .
C644 C643 C642 119.2(6) . .
C644 C643 H643 120.4 . .
C642 C643 H643 120.4 . .
C643 C644 C636 121.5(6) . .
C643 C644 H644 119.2 . .
C636 C644 H644 119.2 . .
C716 N711 C712 118.1(6) . .
C716 N711 Co3 126.2(4) . .
C712 N711 Co3 115.7(4) . .
N711 C712 C713 120.7(6) . .
N711 C712 C723 115.1(6) . .
C713 C712 C723 124.2(6) . .
C714 C713 C712 121.6(6) . .
C714 C713 H713 119.2 . .
C712 C713 H713 119.2 . .
C713 C714 C715 118.2(6) . .
C713 C714 H714 120.9 . .
C715 C714 H714 120.9 . .
C716 C715 C714 118.9(6) . .
C716 C715 H715 120.5 . .
C714 C715 H715 120.5 . .
N711 C716 C715 122.5(6) . .
N711 C716 H716 118.8 . .
C715 C716 H716 118.8 . .
C725 N721 N722 110.2(5) . .
C725 N721 C726 127.6(5) . .
N722 N721 C726 122.0(5) . .
C723 N722 N721 104.3(5) . .
C723 N722 Co3 113.9(4) . .
N721 N722 Co3 140.6(4) . .
N722 C723 C724 111.4(6) . .
N722 C723 C712 118.2(5) . .
C724 C723 C712 130.3(6) . .
C725 C724 C723 105.8(6) . .
C725 C724 H724 127.1 . .
C723 C724 H724 127.1 . .
C724 C725 N721 108.1(6) . .
C724 C725 H725 125.9 . .
N721 C725 H725 125.9 . .
N721 C726 C541 113.4(5) . 7
N721 C726 H72A 108.9 . .
C541 C726 H72A 108.9 7 .
N721 C726 H72B 108.9 . .
C541 C726 H72B 108.9 7 .
H72A C726 H72B 107.7 . .
C816 N811 C812 118.8(6) . .
C816 N811 Co4 127.0(5) . .
C812 N811 Co4 114.1(4) . .
N811 C812 C813 120.4(7) . .
N811 C812 C823 117.4(6) . .
C813 C812 C823 121.9(7) . .
C814 C813 C812 120.0(8) . .
C814 C813 H813 120.0 . .
C812 C813 H813 120.0 . .
C813 C814 C815 117.6(8) . .
C813 C814 H814 121.2 . .
C815 C814 H814 121.2 . .
C816 C815 C814 120.5(7) . .
C816 C815 H815 119.8 . .
C814 C815 H815 119.8 . .
N811 C816 C815 122.6(7) . .
N811 C816 H816 118.7 . .
C815 C816 H816 118.7 . .
C825 N821 N822 110.1(6) . .
C825 N821 C826 128.8(6) . .
N822 N821 C826 120.3(6) . .
C823 N822 N821 105.2(6) . .
C823 N822 Co4 115.3(4) . .
N821 N822 Co4 137.1(5) . .
N822 C823 C824 110.4(6) . .
N822 C823 C812 115.6(6) . .
C824 C823 C812 134.0(7) . .
C825 C824 C823 105.9(7) . .
C825 C824 H824 127.1 . .
C823 C824 H824 127.1 . .
N821 C825 C824 108.5(7) . .
N821 C825 H825 125.7 . .
C824 C825 H825 125.7 . .
N821 C826 C641 113.6(6) . 7
N821 C826 H82A 108.9 . .
C641 C826 H82A 108.9 7 .
N821 C826 H82B 108.9 . .
C641 C826 H82B 108.9 7 .
H82A C826 H82B 107.7 . .
C912 N911 C916 117.3(5) . .
C912 N911 Co4 116.6(4) . .
C916 N911 Co4 126.0(4) . .
N911 C912 C913 122.1(5) . .
N911 C912 C923 113.8(5) . .
C913 C912 C923 124.0(6) . .
C914 C913 C912 118.9(6) . .
C914 C913 H913 120.6 . .
C912 C913 H913 120.6 . .
C913 C914 C915 121.0(6) . .
C913 C914 H914 119.5 . .
C915 C914 H914 119.5 . .
C916 C915 C914 117.2(6) . .
C916 C915 H915 121.4 . .
C914 C915 H915 121.4 . .
N911 C916 C915 123.4(6) . .
N911 C916 H916 118.3 . .
C915 C916 H916 118.3 . .
C925 N921 N922 110.6(5) . .
C925 N921 C445 127.9(6) . 7
N922 N921 C445 121.4(5) . 7
C923 N922 N921 105.3(5) . .
C923 N922 Co4 114.3(4) . .
N921 N922 Co4 139.8(4) . .
N922 C923 C924 110.9(5) . .
N922 C923 C912 118.3(6) . .
C924 C923 C912 130.6(6) . .
C925 C924 C923 103.4(6) . .
C925 C924 H924 128.3 . .
C923 C924 H924 128.3 . .
N921 C925 C924 109.9(6) . .
N921 C925 H925 125.0 . .
C924 C925 H925 125.0 . .
F12 B11 F15 110.2(4) . .
F12 B11 F13 110.3(4) . .
F15 B11 F13 109.0(4) . .
F12 B11 F14 109.9(4) . .
F15 B11 F14 108.8(4) . .
F13 B11 F14 108.6(4) . .
F25 B21 F22 113.9(4) . .
F25 B21 F24 113.3(4) . .
F22 B21 F24 109.4(4) . .
F25 B21 F23 109.1(4) . .
F22 B21 F23 105.5(4) . .
F24 B21 F23 104.8(4) . .
F32 B31 F35 111.3(4) . .
F32 B31 F34 109.5(4) . .
F35 B31 F34 109.4(4) . .
F32 B31 F33 109.5(4) . .
F35 B31 F33 109.3(4) . .
F34 B31 F33 107.8(4) . .
F45 B41 F43 111.5(6) . .
F45 B41 F42 110.8(6) . .
F43 B41 F42 109.5(5) . .
F45 B41 F44 109.3(5) . .
F43 B41 F44 108.2(5) . .
F42 B41 F44 107.4(5) . .
F52 B51 F54 113.4(5) . .
F52 B51 F55 111.3(5) . .
F54 B51 F55 107.5(5) . .
F52 B51 F53 111.3(5) . .
F54 B51 F53 107.2(5) . .
F55 B51 F53 105.7(5) . .
O11 C12 H12C 109.5 . .
O11 C12 H12D 109.5 . .
H12C C12 H12D 109.5 . .
O11 C12 H12E 109.5 . .
H12C C12 H12E 109.5 . .
H12D C12 H12E 109.5 . .
O21 C22 H22C 109.5 . .
O21 C22 H22D 109.5 . .
H22C C22 H22D 109.5 . .
O21 C22 H22E 109.5 . .
H22C C22 H22E 109.5 . .
H22D C22 H22E 109.5 . .
O31 C32 H32C 109.5 . .
O31 C32 H32D 109.5 . .
H32C C32 H32D 109.5 . .
O31 C32 H32E 109.5 . .
H32C C32 H32E 109.5 . .
H32D C32 H32E 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 N322 2.128(5) .
Co1 N111 2.133(5) .
Co1 N211 2.134(5) .
Co1 N122 2.154(5) .
Co1 N222 2.198(4) .
Co1 N311 2.203(5) .
Co2 N142 2.140(5) .
Co2 N422 2.141(5) .
Co2 N511 2.146(5) .
Co2 N131 2.147(5) .
Co2 N522 2.179(4) .
Co2 N411 2.183(5) .
Co3 N611 2.112(5) .
Co3 N711 2.143(5) .
Co3 N722 2.145(5) .
Co3 N242 2.147(5) .
Co3 N622 2.173(5) .
Co3 N231 2.178(3) .
Co4 N822 2.138(6) .
Co4 N331 2.139(5) .
Co4 N922 2.141(5) .
Co4 N911 2.144(5) .
Co4 N342 2.171(5) .
Co4 N811 2.181(5) .
N111 C116 1.340(7) .
N111 C112 1.365(7) .
C112 C113 1.407(8) .
C112 C123 1.455(8) .
C113 C114 1.375(9) .
C113 H113 0.9500 .
C114 C115 1.381(9) .
C114 H114 0.9500 .
C115 C116 1.371(9) .
C115 H115 0.9500 .
C116 H116 0.9500 .
N121 C125 1.343(8) .
N121 N122 1.368(6) .
N121 C126 1.436(7) .
N122 C123 1.350(7) .
C123 C124 1.372(9) .
C124 C125 1.406(9) .
C124 H124 0.9500 .
C125 H125 0.9500 .
C126 C151 1.513(8) .
C126 H12A 0.9900 .
C126 H12B 0.9900 .
N131 C136 1.359(8) .
N131 C132 1.360(8) .
C132 C133 1.382(9) .
C132 C143 1.431(8) .
C133 C134 1.368(10) .
C133 H133 0.9500 .
C134 C135 1.377(10) .
C134 H134 0.9500 .
C135 C136 1.377(9) .
C135 H135 0.9500 .
C136 H136 0.9500 .
N141 C145 1.351(7) .
N141 N142 1.371(6) .
N141 C146 1.450(7) .
N142 C143 1.358(7) .
C143 C144 1.389(8) .
C144 C145 1.386(9) .
C144 H144 0.9500 .
C145 H145 0.9500 .
C146 C161 1.516(8) .
C146 H14A 0.9900 .
C146 H14B 0.9900 .
C151 C152 1.374(8) .
C151 C156 1.421(8) .
C152 C153 1.382(8) .
C152 H152 0.9500 .
C153 C154 1.358(8) .
C153 H153 0.9500 .
C154 C155 1.406(7) .
C154 H154 0.9500 .
C155 C161 1.410(8) .
C155 C156 1.449(8) .
C156 C164 1.399(7) .
C161 C162 1.382(8) .
C162 C163 1.407(8) .
C162 H162 0.9500 .
C163 C164 1.354(8) .
C163 H163 0.9500 .
C164 H164 0.9500 .
N211 C216 1.347(7) .
N211 C212 1.348(7) .
C212 C213 1.365(8) .
C212 C223 1.475(8) .
C213 C214 1.404(8) .
C213 H213 0.9500 .
C214 C215 1.381(9) .
C214 H214 0.9500 .
C215 C216 1.372(9) .
C215 H215 0.9500 .
C216 H216 0.9500 .
N221 C225 1.351(7) .
N221 N222 1.355(6) .
N221 C226 1.445(7) .
N222 C223 1.333(7) .
C223 C224 1.409(8) .
C224 C225 1.329(8) .
C224 H224 0.9500 .
C225 H225 0.9500 .
C226 C251 1.514(8) .
C226 H22A 0.9900 .
C226 H22B 0.9900 .
N231 C232 1.3900 .
N231 C236 1.3900 .
C232 C233 1.3900 .
C232 C243 1.398(6) .
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 1.356(7) .
N241 N242 1.371(6) .
N241 C246 1.448(7) .
N242 C243 1.355(7) .
C243 C244 1.399(8) .
C244 C245 1.362(8) .
C244 H244 0.9500 .
C245 H245 0.9500 .
C246 C261 1.513(8) .
C246 H24A 0.9900 .
C246 H24B 0.9900 .
C251 C252 1.367(8) .
C251 C256 1.435(8) .
C252 C253 1.422(8) .
C252 H252 0.9500 .
C253 C254 1.357(8) .
C253 H253 0.9500 .
C254 C255 1.419(8) .
C254 H254 0.9500 .
C255 C256 1.403(8) .
C255 C261 1.441(8) .
C256 C264 1.438(8) .
C261 C262 1.344(8) .
C262 C263 1.430(8) .
C262 H262 0.9500 .
C263 C264 1.381(8) .
C263 H263 0.9500 .
C264 H264 0.9500 .
N311 C312 1.339(8) .
N311 C316 1.343(8) .
C312 C313 1.374(8) .
C312 C323 1.461(9) .
C313 C314 1.384(10) .
C313 H313 0.9500 .
C314 C315 1.391(10) .
C314 H314 0.9500 .
C315 C316 1.398(8) .
C315 H315 0.9500 .
C316 H316 0.9500 .
N321 C325 1.357(7) .
N321 N322 1.370(7) .
N321 C326 1.459(7) .
N322 C323 1.348(7) .
C323 C324 1.390(9) .
C324 C325 1.367(9) .
C324 H324 0.9500 .
C325 H325 0.9500 .
C326 C351 1.538(8) .
C326 H32A 0.9900 .
C326 H32B 0.9900 .
N331 C336 1.326(8) .
N331 C332 1.343(8) .
C332 C333 1.388(8) .
C332 C343 1.466(8) .
C333 C334 1.362(9) .
C333 H333 0.9500 .
C334 C335 1.370(9) .
C334 H334 0.9500 .
C335 C336 1.399(9) .
C335 H335 0.9500 .
C336 H336 0.9500 .
N341 C345 1.333(7) .
N341 N342 1.371(6) .
N341 C346 1.485(7) .
N342 C343 1.337(7) .
C343 C344 1.391(9) .
C344 C345 1.366(8) .
C344 H344 0.9500 .
C345 H345 0.9500 .
C346 C361 1.520(8) .
C346 H34A 0.9900 .
C346 H34B 0.9900 .
C351 C352 1.352(8) .
C351 C356 1.420(8) .
C352 C353 1.393(8) .
C352 H352 0.9500 .
C353 C354 1.371(8) .
C353 H353 0.9500 .
C354 C355 1.429(8) .
C354 H354 0.9500 .
C355 C356 1.413(8) .
C355 C361 1.423(8) .
C356 C364 1.408(8) .
C361 C362 1.359(8) .
C362 C363 1.396(9) .
C362 H362 0.9500 .
C363 C364 1.336(8) .
C363 H363 0.9500 .
C364 H364 0.9500 .
N411 C416 1.344(7) .
N411 C412 1.361(7) .
C412 C413 1.380(8) .
C412 N421 1.463(7) .
C413 C414 1.373(9) .
C413 H413 0.9500 .
C414 C415 1.370(9) .
C414 H414 0.9500 .
C415 C416 1.413(9) .
C415 H415 0.9500 .
C416 H416 0.9500 .
N421 N422 1.348(6) .
N421 C425 1.387(8) .
N422 C423 1.364(6) .
C423 C424 1.337(7) .
C423 C426 1.428(7) .
C424 C425 1.379(8) .
C424 H424 0.9500 .
C425 H425 0.9500 .
C426 C431 1.544(8) .
C426 H42A 0.9900 .
C426 H42B 0.9900 .
C431 C432 1.354(8) .
C431 C436 1.438(7) .
C432 C433 1.382(8) .
C432 H432 0.9500 .
C433 C434 1.362(8) .
C433 H433 0.9500 .
C434 C435 1.421(8) .
C434 H434 0.9500 .
C435 C436 1.411(8) .
C435 C441 1.422(8) .
C436 C444 1.419(8) .
C441 C442 1.363(8) .
C441 C445 1.501(8) .
C442 C443 1.415(9) .
C442 H442 0.9500 .
C443 C444 1.361(8) .
C443 H443 0.9500 .
C444 H444 0.9500 .
C445 N921 1.465(7) 7
C445 H44A 0.9900 .
C445 H44B 0.9900 .
N511 C512 1.347(7) .
N511 C516 1.355(7) .
C512 C513 1.376(8) .
C512 C523 1.461(8) .
C513 C514 1.371(8) .
C513 H513 0.9500 .
C514 C515 1.376(8) .
C514 H514 0.9500 .
C515 C516 1.360(8) .
C515 H515 0.9500 .
C516 H516 0.9500 .
N521 C525 1.330(7) .
N521 N522 1.357(6) .
N521 C526 1.458(7) .
N522 C523 1.347(7) .
C523 C524 1.387(8) .
C524 C525 1.349(8) .
C524 H524 0.9500 .
C525 H525 0.9500 .
C526 C531 1.516(8) .
C526 H52A 0.9900 .
C526 H52B 0.9900 .
C531 C532 1.400(8) .
C531 C536 1.426(8) .
C532 C533 1.393(8) .
C532 H532 0.9500 .
C533 C534 1.359(8) .
C533 H533 0.9500 .
C534 C535 1.408(8) .
C534 H534 0.9500 .
C535 C536 1.417(8) .
C535 C541 1.421(8) .
C536 C544 1.429(8) .
C541 C542 1.373(8) .
C541 C726 1.497(8) 7
C542 C543 1.414(9) .
C542 H542 0.9500 .
C543 C544 1.349(8) .
C543 H543 0.9500 .
C544 H544 0.9500 .
N611 C612 1.354(8) .
N611 C616 1.354(8) .
C612 C613 1.371(8) .
C612 C623 1.468(8) .
C613 C614 1.346(10) .
C613 H613 0.9500 .
C614 C615 1.397(11) .
C614 H614 0.9500 .
C615 C616 1.342(10) .
C615 H615 0.9500 .
C616 H616 0.9500 .
N621 C625 1.347(7) .
N621 N622 1.356(6) .
N621 C626 1.442(7) .
N622 C623 1.344(7) .
C623 C624 1.379(8) .
C624 C625 1.394(9) .
C624 H624 0.9500 .
C625 H625 0.9500 .
C626 C631 1.531(8) .
C626 H62A 0.9900 .
C626 H62B 0.9900 .
C631 C632 1.356(8) .
C631 C636 1.432(8) .
C632 C633 1.397(8) .
C632 H632 0.9500 .
C633 C634 1.372(9) .
C633 H633 0.9500 .
C634 C635 1.423(9) .
C634 H634 0.9500 .
C635 C641 1.392(9) .
C635 C636 1.442(8) .
C636 C644 1.394(8) .
C641 C642 1.355(9) .
C641 C826 1.509(8) 7
C642 C643 1.460(9) .
C642 H642 0.9500 .
C643 C644 1.358(9) .
C643 H643 0.9500 .
C644 H644 0.9500 .
N711 C716 1.339(7) .
N711 C712 1.347(7) .
C712 C713 1.385(9) .
C712 C723 1.460(8) .
C713 C714 1.336(9) .
C713 H713 0.9500 .
C714 C715 1.386(9) .
C714 H714 0.9500 .
C715 C716 1.384(9) .
C715 H715 0.9500 .
C716 H716 0.9500 .
N721 C725 1.355(8) .
N721 N722 1.371(6) .
N721 C726 1.433(8) .
N722 C723 1.348(7) .
C723 C724 1.375(8) .
C724 C725 1.351(9) .
C724 H724 0.9500 .
C725 H725 0.9500 .
C726 C541 1.498(8) 7
C726 H72A 0.9900 .
C726 H72B 0.9900 .
N811 C816 1.336(8) .
N811 C812 1.341(8) .
C812 C813 1.429(10) .
C812 C823 1.458(10) .
C813 C814 1.355(10) .
C813 H813 0.9500 .
C814 C815 1.391(11) .
C814 H814 0.9500 .
C815 C816 1.361(9) .
C815 H815 0.9500 .
C816 H816 0.9500 .
N821 C825 1.335(9) .
N821 N822 1.373(7) .
N821 C826 1.433(8) .
N822 C823 1.360(8) .
C823 C824 1.371(10) .
C824 C825 1.371(10) .
C824 H824 0.9500 .
C825 H825 0.9500 .
C826 C641 1.509(8) 7
C826 H82A 0.9900 .
C826 H82B 0.9900 .
N911 C912 1.337(7) .
N911 C916 1.343(7) .
C912 C913 1.380(8) .
C912 C923 1.481(8) .
C913 C914 1.338(8) .
C913 H913 0.9500 .
C914 C915 1.372(9) .
C914 H914 0.9500 .
C915 C916 1.371(8) .
C915 H915 0.9500 .
C916 H916 0.9500 .
N921 C925 1.316(9) .
N921 N922 1.341(6) .
N921 C445 1.465(8) 7
N922 C923 1.338(7) .
C923 C924 1.392(9) .
C924 C925 1.356(9) .
C924 H924 0.9500 .
C925 H925 0.9500 .
B11 F12 1.378(6) .
B11 F15 1.400(6) .
B11 F13 1.400(6) .
B11 F14 1.405(6) .
B21 F25 1.314(6) .
B21 F22 1.379(6) .
B21 F24 1.390(6) .
B21 F23 1.459(6) .
B31 F32 1.377(6) .
B31 F35 1.379(6) .
B31 F34 1.408(6) .
B31 F33 1.409(6) .
B41 F45 1.389(9) .
B41 F43 1.411(9) .
B41 F42 1.423(9) .
B41 F44 1.449(9) .
B51 F52 1.306(8) .
B51 F54 1.372(8) .
B51 F55 1.402(8) .
B51 F53 1.406(8) .
O11 C12 1.448(11) .
C12 H12C 0.9800 .
C12 H12D 0.9800 .
C12 H12E 0.9800 .
O21 C22 1.479(11) .
C22 H22C 0.9800 .
C22 H22D 0.9800 .
C22 H22E 0.9800 .
O31 C32 1.423(12) .
C32 H32C 0.9800 .
C32 H32D 0.9800 .
C32 H32E 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N322 Co1 N111 C116 -22.5(4) . .
N211 Co1 N111 C116 106.3(13) . .
N122 Co1 N111 C116 175.2(5) . .
N222 Co1 N111 C116 80.1(4) . .
N311 Co1 N111 C116 -98.2(4) . .
N322 Co1 N111 C112 162.4(4) . .
N211 Co1 N111 C112 -68.8(14) . .
N122 Co1 N111 C112 0.1(3) . .
N222 Co1 N111 C112 -95.0(4) . .
N311 Co1 N111 C112 86.7(4) . .
C116 N111 C112 C113 -0.4(7) . .
Co1 N111 C112 C113 175.2(4) . .
C116 N111 C112 C123 -179.0(5) . .
Co1 N111 C112 C123 -3.5(6) . .
N111 C112 C113 C114 0.3(8) . .
C123 C112 C113 C114 178.8(5) . .
C112 C113 C114 C115 -0.8(8) . .
C113 C114 C115 C116 1.4(9) . .
C112 N111 C116 C115 1.0(8) . .
Co1 N111 C116 C115 -174.0(4) . .
C114 C115 C116 N111 -1.5(9) . .
C125 N121 N122 C123 -0.8(6) . .
C126 N121 N122 C123 -176.2(5) . .
C125 N121 N122 Co1 -166.3(4) . .
C126 N121 N122 Co1 18.3(8) . .
N322 Co1 N122 C123 -59.1(7) . .
N111 Co1 N122 C123 3.6(4) . .
N211 Co1 N122 C123 175.5(4) . .
N222 Co1 N122 C123 97.5(4) . .
N311 Co1 N122 C123 -90.1(4) . .
N322 Co1 N122 N121 105.5(7) . .
N111 Co1 N122 N121 168.2(5) . .
N211 Co1 N122 N121 -19.9(5) . .
N222 Co1 N122 N121 -97.9(5) . .
N311 Co1 N122 N121 74.5(5) . .
N121 N122 C123 C124 0.5(6) . .
Co1 N122 C123 C124 170.1(4) . .
N121 N122 C123 C112 -176.2(4) . .
Co1 N122 C123 C112 -6.6(6) . .
N111 C112 C123 N122 6.8(7) . .
C113 C112 C123 N122 -171.9(5) . .
N111 C112 C123 C124 -169.2(6) . .
C113 C112 C123 C124 12.2(9) . .
N122 C123 C124 C125 0.0(7) . .
C112 C123 C124 C125 176.1(6) . .
N122 N121 C125 C124 0.9(6) . .
C126 N121 C125 C124 176.0(5) . .
C123 C124 C125 N121 -0.5(7) . .
C125 N121 C126 C151 -89.3(7) . .
N122 N121 C126 C151 85.3(6) . .
N142 Co2 N131 C136 177.7(5) . .
N422 Co2 N131 C136 -100.8(10) . .
N511 Co2 N131 C136 1.6(5) . .
N522 Co2 N131 C136 77.8(5) . .
N411 Co2 N131 C136 -93.8(5) . .
N142 Co2 N131 C132 -6.6(4) . .
N422 Co2 N131 C132 74.9(10) . .
N511 Co2 N131 C132 177.2(4) . .
N522 Co2 N131 C132 -106.6(4) . .
N411 Co2 N131 C132 81.9(4) . .
C136 N131 C132 C133 1.1(8) . .
Co2 N131 C132 C133 -175.0(4) . .
C136 N131 C132 C143 -179.6(5) . .
Co2 N131 C132 C143 4.3(6) . .
N131 C132 C133 C134 -1.9(9) . .
C143 C132 C133 C134 178.8(6) . .
C132 C133 C134 C135 0.6(11) . .
C133 C134 C135 C136 1.5(11) . .
C132 N131 C136 C135 1.2(9) . .
Co2 N131 C136 C135 176.7(5) . .
C134 C135 C136 N131 -2.5(11) . .
C145 N141 N142 C143 0.7(6) . .
C146 N141 N142 C143 175.5(4) . .
C145 N141 N142 Co2 -170.3(4) . .
C146 N141 N142 Co2 4.4(8) . .
N422 Co2 N142 C143 -160.3(3) . .
N511 Co2 N142 C143 27.0(10) . .
N131 Co2 N142 C143 8.0(4) . .
N522 Co2 N142 C143 94.3(4) . .
N411 Co2 N142 C143 -85.0(4) . .
N422 Co2 N142 N141 10.3(5) . .
N511 Co2 N142 N141 -162.5(7) . .
N131 Co2 N142 N141 178.5(5) . .
N522 Co2 N142 N141 -95.2(5) . .
N411 Co2 N142 N141 85.5(5) . .
N141 N142 C143 C144 -0.6(6) . .
Co2 N142 C143 C144 173.2(4) . .
N141 N142 C143 C132 177.6(4) . .
Co2 N142 C143 C132 -8.6(6) . .
N131 C132 C143 N142 2.9(7) . .
C133 C132 C143 N142 -177.9(5) . .
N131 C132 C143 C144 -179.3(5) . .
C133 C132 C143 C144 -0.1(10) . .
N142 C143 C144 C145 0.3(6) . .
C132 C143 C144 C145 -177.6(6) . .
N142 N141 C145 C144 -0.6(6) . .
C146 N141 C145 C144 -175.0(5) . .
C143 C144 C145 N141 0.2(6) . .
C145 N141 C146 C161 89.4(7) . .
N142 N141 C146 C161 -84.5(6) . .
N121 C126 C151 C152 2.5(8) . .
N121 C126 C151 C156 -177.8(5) . .
C156 C151 C152 C153 1.7(9) . .
C126 C151 C152 C153 -178.6(6) . .
C151 C152 C153 C154 -1.5(10) . .
C152 C153 C154 C155 -1.8(9) . .
C153 C154 C155 C161 -176.5(6) . .
C153 C154 C155 C156 4.6(9) . .
C152 C151 C156 C164 -179.1(6) . .
C126 C151 C156 C164 1.3(9) . .
C152 C151 C156 C155 1.1(8) . .
C126 C151 C156 C155 -178.5(5) . .
C154 C155 C156 C164 176.0(5) . .
C161 C155 C156 C164 -3.0(8) . .
C154 C155 C156 C151 -4.2(8) . .
C161 C155 C156 C151 176.8(5) . .
C154 C155 C161 C162 -177.4(6) . .
C156 C155 C161 C162 1.5(8) . .
C154 C155 C161 C146 3.2(8) . .
C156 C155 C161 C146 -177.9(5) . .
N141 C146 C161 C162 -11.5(8) . .
N141 C146 C161 C155 167.9(5) . .
C155 C161 C162 C163 0.7(9) . .
C146 C161 C162 C163 -179.9(5) . .
C161 C162 C163 C164 -1.4(9) . .
C162 C163 C164 C156 -0.1(10) . .
C151 C156 C164 C163 -177.4(6) . .
C155 C156 C164 C163 2.3(9) . .
N322 Co1 N211 C216 -73.9(5) . .
N111 Co1 N211 C216 157.2(12) . .
N122 Co1 N211 C216 90.0(5) . .
N222 Co1 N211 C216 -175.9(5) . .
N311 Co1 N211 C216 1.8(5) . .
N322 Co1 N211 C212 107.7(4) . .
N111 Co1 N211 C212 -21.3(15) . .
N122 Co1 N211 C212 -88.5(4) . .
N222 Co1 N211 C212 5.6(4) . .
N311 Co1 N211 C212 -176.7(4) . .
C216 N211 C212 C213 -1.6(9) . .
Co1 N211 C212 C213 177.0(5) . .
C216 N211 C212 C223 176.7(5) . .
Co1 N211 C212 C223 -4.7(6) . .
N211 C212 C213 C214 0.6(9) . .
C223 C212 C213 C214 -177.6(6) . .
C212 C213 C214 C215 1.4(10) . .
C213 C214 C215 C216 -2.3(11) . .
C212 N211 C216 C215 0.6(9) . .
Co1 N211 C216 C215 -177.8(5) . .
C214 C215 C216 N211 1.3(10) . .
C225 N221 N222 C223 -3.0(6) . .
C226 N221 N222 C223 -172.3(5) . .
C225 N221 N222 Co1 174.4(5) . .
C226 N221 N222 Co1 5.1(9) . .
N322 Co1 N222 C223 -94.5(4) . .
N111 Co1 N222 C223 170.6(4) . .
N211 Co1 N222 C223 -5.5(4) . .
N122 Co1 N222 C223 93.4(4) . .
N311 Co1 N222 C223 -21.3(15) . .
N322 Co1 N222 N221 88.2(6) . .
N111 Co1 N222 N221 -6.7(6) . .
N211 Co1 N222 N221 177.2(6) . .
N122 Co1 N222 N221 -83.9(6) . .
N311 Co1 N222 N221 161.4(11) . .
N221 N222 C223 C224 2.3(6) . .
Co1 N222 C223 C224 -176.0(4) . .
N221 N222 C223 C212 -176.5(5) . .
Co1 N222 C223 C212 5.1(7) . .
N211 C212 C223 N222 -0.5(8) . .
C213 C212 C223 N222 177.8(6) . .
N211 C212 C223 C224 -179.1(6) . .
C213 C212 C223 C224 -0.8(10) . .
N222 C223 C224 C225 -0.8(7) . .
C212 C223 C224 C225 178.0(6) . .
C223 C224 C225 N221 -1.1(7) . .
N222 N221 C225 C224 2.6(7) . .
C226 N221 C225 C224 171.8(5) . .
C225 N221 C226 C251 -86.5(7) . .
N222 N221 C226 C251 81.2(6) . .
N611 Co3 N231 C232 95.2(3) . .
N711 Co3 N231 C232 -88.6(3) . .
N722 Co3 N231 C232 -165.6(3) . .
N242 Co3 N231 C232 2.7(3) . .
N622 Co3 N231 C232 82.3(12) . .
N611 Co3 N231 C236 -89.5(3) . .
N711 Co3 N231 C236 86.7(3) . .
N722 Co3 N231 C236 9.7(3) . .
N242 Co3 N231 C236 178.0(3) . .
N622 Co3 N231 C236 -102.4(12) . .
C236 N231 C232 C233 0.0 . .
Co3 N231 C232 C233 175.6(3) . .
C236 N231 C232 C243 -175.6(5) . .
Co3 N231 C232 C243 0.0(5) . .
N231 C232 C233 C234 0.0 . .
C243 C232 C233 C234 175.2(6) . .
C232 C233 C234 C235 0.0 . .
C233 C234 C235 C236 0.0 . .
C234 C235 C236 N231 0.0 . .
C232 N231 C236 C235 0.0 . .
Co3 N231 C236 C235 -175.0(3) . .
C245 N241 N242 C243 0.5(6) . .
C246 N241 N242 C243 179.1(5) . .
C245 N241 N242 Co3 166.7(5) . .
C246 N241 N242 Co3 -14.7(8) . .
N611 Co3 N242 C243 -100.0(4) . .
N711 Co3 N242 C243 83.2(4) . .
N722 Co3 N242 C243 31.4(8) . .
N622 Co3 N242 C243 -177.4(4) . .
N231 Co3 N242 C243 -5.1(4) . .
N611 Co3 N242 N241 94.7(6) . .
N711 Co3 N242 N241 -82.1(6) . .
N722 Co3 N242 N241 -133.9(6) . .
N622 Co3 N242 N241 17.3(6) . .
N231 Co3 N242 N241 -170.4(6) . .
N241 N242 C243 C232 177.2(5) . .
Co3 N242 C243 C232 7.1(7) . .
N241 N242 C243 C244 0.2(7) . .
Co3 N242 C243 C244 -170.0(4) . .
C233 C232 C243 N242 179.9(4) . .
N231 C232 C243 N242 -4.7(7) . .
C233 C232 C243 C244 -3.7(9) . .
N231 C232 C243 C244 171.7(6) . .
N242 C243 C244 C245 -0.8(7) . .
C232 C243 C244 C245 -177.4(6) . .
N242 N241 C245 C244 -1.1(7) . .
C246 N241 C245 C244 -179.5(5) . .
C243 C244 C245 N241 1.1(7) . .
C245 N241 C246 C261 104.3(7) . .
N242 N241 C246 C261 -74.0(7) . .
N221 C226 C251 C252 -4.6(7) . .
N221 C226 C251 C256 174.2(4) . .
C256 C251 C252 C253 3.0(8) . .
C226 C251 C252 C253 -178.2(5) . .
C251 C252 C253 C254 -2.2(9) . .
C252 C253 C254 C255 -1.4(9) . .
C253 C254 C255 C256 4.0(8) . .
C253 C254 C255 C261 -176.5(5) . .
C254 C255 C256 C251 -3.1(8) . .
C261 C255 C256 C251 177.3(5) . .
C254 C255 C256 C264 178.3(5) . .
C261 C255 C256 C264 -1.3(8) . .
C252 C251 C256 C255 -0.4(8) . .
C226 C251 C256 C255 -179.1(5) . .
C252 C251 C256 C264 178.3(5) . .
C226 C251 C256 C264 -0.5(7) . .
C256 C255 C261 C262 1.4(8) . .
C254 C255 C261 C262 -178.2(5) . .
C256 C255 C261 C246 -177.9(5) . .
C254 C255 C261 C246 2.6(7) . .
N241 C246 C261 C262 -7.2(8) . .
N241 C246 C261 C255 172.0(5) . .
C255 C261 C262 C263 -0.1(8) . .
C246 C261 C262 C263 179.1(5) . .
C261 C262 C263 C264 -1.2(8) . .
C262 C263 C264 C256 1.3(8) . .
C255 C256 C264 C263 0.0(8) . .
C251 C256 C264 C263 -178.6(5) . .
N322 Co1 N311 C312 0.1(4) . .
N111 Co1 N311 C312 93.1(4) . .
N211 Co1 N311 C312 -90.5(4) . .
N122 Co1 N311 C312 169.6(4) . .
N222 Co1 N311 C312 -75.0(14) . .
N322 Co1 N311 C316 -177.2(5) . .
N111 Co1 N311 C316 -84.2(5) . .
N211 Co1 N311 C316 92.3(5) . .
N122 Co1 N311 C316 -7.6(5) . .
N222 Co1 N311 C316 107.7(14) . .
C316 N311 C312 C313 -0.4(9) . .
Co1 N311 C312 C313 -178.0(5) . .
C316 N311 C312 C323 177.9(5) . .
Co1 N311 C312 C323 0.4(7) . .
N311 C312 C313 C314 1.7(10) . .
C323 C312 C313 C314 -176.5(6) . .
C312 C313 C314 C315 -1.0(11) . .
C313 C314 C315 C316 -0.9(11) . .
C312 N311 C316 C315 -1.7(10) . .
Co1 N311 C316 C315 175.6(5) . .
C314 C315 C316 N311 2.3(11) . .
C325 N321 N322 C323 0.0(6) . .
C326 N321 N322 C323 -172.7(5) . .
C325 N321 N322 Co1 -177.5(5) . .
C326 N321 N322 Co1 9.8(9) . .
N111 Co1 N322 C323 -92.7(4) . .
N211 Co1 N322 C323 94.0(4) . .
N122 Co1 N322 C323 -32.6(8) . .
N222 Co1 N322 C323 171.2(4) . .
N311 Co1 N322 C323 -0.6(4) . .
N111 Co1 N322 N321 84.6(6) . .
N211 Co1 N322 N321 -88.8(6) . .
N122 Co1 N322 N321 144.6(6) . .
N222 Co1 N322 N321 -11.6(6) . .
N311 Co1 N322 N321 176.7(6) . .
N321 N322 C323 C324 0.0(7) . .
Co1 N322 C323 C324 178.1(4) . .
N321 N322 C323 C312 -177.2(5) . .
Co1 N322 C323 C312 1.0(7) . .
N311 C312 C323 N322 -0.9(8) . .
C313 C312 C323 N322 177.4(6) . .
N311 C312 C323 C324 -177.4(6) . .
C313 C312 C323 C324 0.9(11) . .
N322 C323 C324 C325 0.1(7) . .
C312 C323 C324 C325 176.8(6) . .
N322 N321 C325 C324 0.1(7) . .
C326 N321 C325 C324 172.2(6) . .
C323 C324 C325 N321 -0.1(7) . .
C325 N321 C326 C351 -89.1(7) . .
N322 N321 C326 C351 82.3(6) . .
N822 Co4 N331 C336 69.8(6) . .
N922 Co4 N331 C336 -95.4(6) . .
N911 Co4 N331 C336 172.4(13) . .
N342 Co4 N331 C336 172.2(6) . .
N811 Co4 N331 C336 -6.7(6) . .
N822 Co4 N331 C332 -104.9(4) . .
N922 Co4 N331 C332 89.9(4) . .
N911 Co4 N331 C332 -2.3(17) . .
N342 Co4 N331 C332 -2.5(4) . .
N811 Co4 N331 C332 178.6(4) . .
C336 N331 C332 C333 0.8(9) . .
Co4 N331 C332 C333 176.0(5) . .
C336 N331 C332 C343 -174.7(6) . .
Co4 N331 C332 C343 0.5(7) . .
N331 C332 C333 C334 -1.2(9) . .
C343 C332 C333 C334 174.1(6) . .
C332 C333 C334 C335 -0.6(10) . .
C333 C334 C335 C336 2.5(11) . .
C332 N331 C336 C335 1.3(10) . .
Co4 N331 C336 C335 -173.2(5) . .
C334 C335 C336 N331 -3.0(11) . .
C345 N341 N342 C343 0.8(7) . .
C346 N341 N342 C343 175.3(5) . .
C345 N341 N342 Co4 -176.6(5) . .
C346 N341 N342 Co4 -2.1(10) . .
N822 Co4 N342 C343 92.4(4) . .
N331 Co4 N342 C343 4.2(4) . .
N922 Co4 N342 C343 -98.7(4) . .
N911 Co4 N342 C343 -175.7(4) . .
N811 Co4 N342 C343 11.3(15) . .
N822 Co4 N342 N341 -90.4(7) . .
N331 Co4 N342 N341 -178.5(7) . .
N922 Co4 N342 N341 78.5(7) . .
N911 Co4 N342 N341 1.5(7) . .
N811 Co4 N342 N341 -171.5(11) . .
N341 N342 C343 C344 -0.1(7) . .
Co4 N342 C343 C344 178.2(4) . .
N341 N342 C343 C332 176.2(5) . .
Co4 N342 C343 C332 -5.5(7) . .
N331 C332 C343 N342 3.5(8) . .
C333 C332 C343 N342 -172.1(6) . .
N331 C332 C343 C344 179.1(6) . .
C333 C332 C343 C344 3.5(10) . .
N342 C343 C344 C345 -0.5(7) . .
C332 C343 C344 C345 -176.3(6) . .
N342 N341 C345 C344 -1.1(7) . .
C346 N341 C345 C344 -175.5(5) . .
C343 C344 C345 N341 0.9(7) . .
C345 N341 C346 C361 81.9(7) . .
N342 N341 C346 C361 -92.0(7) . .
N321 C326 C351 C352 2.8(8) . .
N321 C326 C351 C356 -176.6(5) . .
C356 C351 C352 C353 -3.5(9) . .
C326 C351 C352 C353 177.1(6) . .
C351 C352 C353 C354 3.1(10) . .
C352 C353 C354 C355 0.3(9) . .
C353 C354 C355 C356 -3.1(9) . .
C353 C354 C355 C361 177.8(6) . .
C361 C355 C356 C364 0.4(8) . .
C354 C355 C356 C364 -178.7(5) . .
C361 C355 C356 C351 -178.2(5) . .
C354 C355 C356 C351 2.6(8) . .
C352 C351 C356 C364 -177.8(6) . .
C326 C351 C356 C364 1.6(9) . .
C352 C351 C356 C355 0.7(9) . .
C326 C351 C356 C355 -179.9(5) . .
C356 C355 C361 C362 -0.6(9) . .
C354 C355 C361 C362 178.5(6) . .
C356 C355 C361 C346 179.5(5) . .
C354 C355 C361 C346 -1.4(9) . .
N341 C346 C361 C362 6.5(8) . .
N341 C346 C361 C355 -173.6(5) . .
C355 C361 C362 C363 0.2(9) . .
C346 C361 C362 C363 -179.9(6) . .
C361 C362 C363 C364 0.4(10) . .
C362 C363 C364 C356 -0.7(10) . .
C355 C356 C364 C363 0.3(9) . .
C351 C356 C364 C363 178.8(6) . .
N142 Co2 N411 C416 68.9(5) . .
N422 Co2 N411 C416 171.2(5) . .
N511 Co2 N411 C416 -100.1(5) . .
N131 Co2 N411 C416 -7.4(5) . .
N522 Co2 N411 C416 -106.8(12) . .
N142 Co2 N411 C412 -108.7(4) . .
N422 Co2 N411 C412 -6.5(4) . .
N511 Co2 N411 C412 82.3(4) . .
N131 Co2 N411 C412 175.0(4) . .
N522 Co2 N411 C412 75.6(13) . .
C416 N411 C412 C413 0.9(8) . .
Co2 N411 C412 C413 178.7(4) . .
C416 N411 C412 N421 -174.6(5) . .
Co2 N411 C412 N421 3.2(6) . .
N411 C412 C413 C414 -2.0(9) . .
N421 C412 C413 C414 173.2(6) . .
C412 C413 C414 C415 0.4(10) . .
C413 C414 C415 C416 2.0(10) . .
C412 N411 C416 C415 1.6(9) . .
Co2 N411 C416 C415 -176.0(4) . .
C414 C415 C416 N411 -3.0(10) . .
N411 C412 N421 N422 4.9(7) . .
C413 C412 N421 N422 -170.7(5) . .
N411 C412 N421 C425 -178.9(6) . .
C413 C412 N421 C425 5.6(10) . .
C425 N421 N422 C423 -1.2(6) . .
C412 N421 N422 C423 175.7(4) . .
C425 N421 N422 Co2 172.4(4) . .
C412 N421 N422 Co2 -10.6(6) . .
N142 Co2 N422 N421 95.2(4) . .
N511 Co2 N422 N421 -86.3(4) . .
N131 Co2 N422 N421 16.3(11) . .
N522 Co2 N422 N421 -162.2(4) . .
N411 Co2 N422 N421 9.1(4) . .
N142 Co2 N422 C423 -94.2(5) . .
N511 Co2 N422 C423 84.3(5) . .
N131 Co2 N422 C423 -173.1(8) . .
N522 Co2 N422 C423 8.4(5) . .
N411 Co2 N422 C423 179.7(5) . .
N421 N422 C423 C424 1.3(6) . .
Co2 N422 C423 C424 -170.0(4) . .
N421 N422 C423 C426 179.7(5) . .
Co2 N422 C423 C426 8.5(8) . .
N422 C423 C424 C425 -0.8(6) . .
C426 C423 C424 C425 -179.2(5) . .
C423 C424 C425 N421 0.0(6) . .
N422 N421 C425 C424 0.8(6) . .
C412 N421 C425 C424 -175.6(6) . .
C424 C423 C426 C431 90.4(7) . .
N422 C423 C426 C431 -87.8(6) . .
C423 C426 C431 C432 -9.7(8) . .
C423 C426 C431 C436 168.8(5) . .
C436 C431 C432 C433 0.6(9) . .
C426 C431 C432 C433 179.0(5) . .
C431 C432 C433 C434 -1.7(9) . .
C432 C433 C434 C435 1.7(9) . .
C433 C434 C435 C436 -0.5(9) . .
C433 C434 C435 C441 -177.5(6) . .
C434 C435 C436 C444 -179.3(5) . .
C441 C435 C436 C444 -2.2(8) . .
C434 C435 C436 C431 -0.6(8) . .
C441 C435 C436 C431 176.6(5) . .
C432 C431 C436 C435 0.5(8) . .
C426 C431 C436 C435 -178.0(5) . .
C432 C431 C436 C444 179.3(5) . .
C426 C431 C436 C444 0.7(8) . .
C436 C435 C441 C442 -0.8(9) . .
C434 C435 C441 C442 176.2(6) . .
C436 C435 C441 C445 179.2(5) . .
C434 C435 C441 C445 -3.8(9) . .
C435 C441 C442 C443 1.6(9) . .
C445 C441 C442 C443 -178.4(6) . .
C441 C442 C443 C444 0.7(9) . .
C442 C443 C444 C436 -3.7(9) . .
C435 C436 C444 C443 4.4(8) . .
C431 C436 C444 C443 -174.3(5) . .
C442 C441 C445 N921 8.0(9) . 7
C435 C441 C445 N921 -172.0(5) . 7
N142 Co2 N511 C512 61.9(10) . .
N422 Co2 N511 C512 -111.0(4) . .
N131 Co2 N511 C512 80.4(4) . .
N522 Co2 N511 C512 -7.6(4) . .
N411 Co2 N511 C512 173.4(4) . .
N142 Co2 N511 C516 -110.7(8) . .
N422 Co2 N511 C516 76.4(5) . .
N131 Co2 N511 C516 -92.2(5) . .
N522 Co2 N511 C516 179.8(5) . .
N411 Co2 N511 C516 0.8(5) . .
C516 N511 C512 C513 0.3(8) . .
Co2 N511 C512 C513 -173.0(4) . .
C516 N511 C512 C523 179.4(5) . .
Co2 N511 C512 C523 6.1(6) . .
N511 C512 C513 C514 0.8(9) . .
C523 C512 C513 C514 -178.2(5) . .
C512 C513 C514 C515 -1.7(9) . .
C513 C514 C515 C516 1.4(9) . .
C512 N511 C516 C515 -0.6(8) . .
Co2 N511 C516 C515 172.0(4) . .
C514 C515 C516 N511 -0.3(9) . .
C525 N521 N522 C523 0.6(6) . .
C526 N521 N522 C523 179.4(5) . .
C525 N521 N522 Co2 -168.5(5) . .
C526 N521 N522 Co2 10.3(8) . .
N142 Co2 N522 C523 -160.7(4) . .
N422 Co2 N522 C523 94.9(4) . .
N511 Co2 N522 C523 8.0(4) . .
N131 Co2 N522 C523 -84.8(4) . .
N411 Co2 N522 C523 14.9(14) . .
N142 Co2 N522 N521 7.7(6) . .
N422 Co2 N522 N521 -96.7(6) . .
N511 Co2 N522 N521 176.5(6) . .
N131 Co2 N522 N521 83.6(6) . .
N411 Co2 N522 N521 -176.7(10) . .
N521 N522 C523 C524 -0.7(6) . .
Co2 N522 C523 C524 172.1(4) . .
N521 N522 C523 C512 179.5(5) . .
Co2 N522 C523 C512 -7.7(6) . .
N511 C512 C523 N522 1.3(8) . .
C513 C512 C523 N522 -179.6(5) . .
N511 C512 C523 C524 -178.5(6) . .
C513 C512 C523 C524 0.6(10) . .
N522 C523 C524 C525 0.5(7) . .
C512 C523 C524 C525 -179.7(6) . .
N522 N521 C525 C524 -0.3(7) . .
C526 N521 C525 C524 -179.0(5) . .
C523 C524 C525 N521 -0.1(7) . .
C525 N521 C526 C531 90.6(7) . .
N522 N521 C526 C531 -87.9(6) . .
N521 C526 C531 C532 -9.1(8) . .
N521 C526 C531 C536 170.6(5) . .
C536 C531 C532 C533 0.4(8) . .
C526 C531 C532 C533 -179.9(5) . .
C531 C532 C533 C534 -3.6(9) . .
C532 C533 C534 C535 3.6(9) . .
C533 C534 C535 C536 -0.4(8) . .
C533 C534 C535 C541 -176.2(5) . .
C534 C535 C536 C531 -2.7(8) . .
C541 C535 C536 C531 173.2(5) . .
C534 C535 C536 C544 177.9(5) . .
C541 C535 C536 C544 -6.2(8) . .
C532 C531 C536 C535 2.7(8) . .
C526 C531 C536 C535 -177.0(5) . .
C532 C531 C536 C544 -177.9(5) . .
C526 C531 C536 C544 2.4(8) . .
C534 C535 C541 C542 179.5(5) . .
C536 C535 C541 C542 3.8(8) . .
C534 C535 C541 C726 -0.5(8) . 7
C536 C535 C541 C726 -176.2(5) . 7
C535 C541 C542 C543 0.9(9) . .
C726 C541 C542 C543 -179.1(5) 7 .
C541 C542 C543 C544 -3.1(9) . .
C542 C543 C544 C536 0.5(9) . .
C535 C536 C544 C543 4.1(8) . .
C531 C536 C544 C543 -175.3(5) . .
N711 Co3 N611 C612 36(2) . .
N722 Co3 N611 C612 86.3(4) . .
N242 Co3 N611 C612 -108.7(4) . .
N622 Co3 N611 C612 -6.8(4) . .
N231 Co3 N611 C612 175.0(4) . .
N711 Co3 N611 C616 -140.6(17) . .
N722 Co3 N611 C616 -90.8(5) . .
N242 Co3 N611 C616 74.2(5) . .
N622 Co3 N611 C616 176.2(5) . .
N231 Co3 N611 C616 -2.1(5) . .
C616 N611 C612 C613 3.2(8) . .
Co3 N611 C612 C613 -174.2(4) . .
C616 N611 C612 C623 -177.3(5) . .
Co3 N611 C612 C623 5.3(6) . .
N611 C612 C613 C614 -2.6(9) . .
C623 C612 C613 C614 177.9(5) . .
C612 C613 C614 C615 1.2(10) . .
C613 C614 C615 C616 -0.6(10) . .
C614 C615 C616 N611 1.4(10) . .
C612 N611 C616 C615 -2.5(9) . .
Co3 N611 C616 C615 174.5(5) . .
C625 N621 N622 C623 1.3(6) . .
C626 N621 N622 C623 170.9(5) . .
C625 N621 N622 Co3 -177.3(4) . .
C626 N621 N622 Co3 -7.6(8) . .
N611 Co3 N622 C623 7.1(4) . .
N711 Co3 N622 C623 -169.0(4) . .
N722 Co3 N622 C623 -91.4(4) . .
N242 Co3 N622 C623 98.1(4) . .
N231 Co3 N622 C623 20.2(14) . .
N611 Co3 N622 N621 -174.4(6) . .
N711 Co3 N622 N621 9.5(6) . .
N722 Co3 N622 N621 87.1(6) . .
N242 Co3 N622 N621 -83.4(6) . .
N231 Co3 N622 N621 -161.3(10) . .
N621 N622 C623 C624 -0.9(6) . .
Co3 N622 C623 C624 178.1(4) . .
N621 N622 C623 C612 174.2(4) . .
Co3 N622 C623 C612 -6.8(6) . .
N611 C612 C623 N622 1.2(7) . .
C613 C612 C623 N622 -179.2(5) . .
N611 C612 C623 C624 175.3(5) . .
C613 C612 C623 C624 -5.2(9) . .
N622 C623 C624 C625 0.3(6) . .
C612 C623 C624 C625 -174.1(5) . .
N622 N621 C625 C624 -1.1(6) . .
C626 N621 C625 C624 -170.5(5) . .
C623 C624 C625 N621 0.5(6) . .
C625 N621 C626 C631 86.8(7) . .
N622 N621 C626 C631 -81.3(6) . .
N621 C626 C631 C632 -6.8(8) . .
N621 C626 C631 C636 171.9(5) . .
C636 C631 C632 C633 -3.1(9) . .
C626 C631 C632 C633 175.7(6) . .
C631 C632 C633 C634 -0.7(9) . .
C632 C633 C634 C635 2.7(9) . .
C633 C634 C635 C641 177.7(6) . .
C633 C634 C635 C636 -0.9(9) . .
C632 C631 C636 C644 -176.3(6) . .
C626 C631 C636 C644 5.0(8) . .
C632 C631 C636 C635 4.7(8) . .
C626 C631 C636 C635 -174.0(5) . .
C641 C635 C636 C644 -0.5(9) . .
C634 C635 C636 C644 178.2(6) . .
C641 C635 C636 C631 178.6(5) . .
C634 C635 C636 C631 -2.8(8) . .
C634 C635 C641 C642 -179.4(6) . .
C636 C635 C641 C642 -0.8(9) . .
C634 C635 C641 C826 2.4(9) . 7
C636 C635 C641 C826 -179.0(5) . 7
C635 C641 C642 C643 2.1(9) . .
C826 C641 C642 C643 -179.7(6) 7 .
C641 C642 C643 C644 -2.3(9) . .
C642 C643 C644 C636 1.1(10) . .
C631 C636 C644 C643 -178.7(6) . .
C635 C636 C644 C643 0.2(9) . .
N611 Co3 N711 C716 -129.2(17) . .
N722 Co3 N711 C716 -179.9(5) . .
N242 Co3 N711 C716 16.1(5) . .
N622 Co3 N711 C716 -86.7(5) . .
N231 Co3 N711 C716 92.1(5) . .
N611 Co3 N711 C712 52.5(19) . .
N722 Co3 N711 C712 1.8(4) . .
N242 Co3 N711 C712 -162.2(4) . .
N622 Co3 N711 C712 95.0(4) . .
N231 Co3 N711 C712 -86.2(4) . .
C716 N711 C712 C713 0.6(8) . .
Co3 N711 C712 C713 179.0(4) . .
C716 N711 C712 C723 -178.4(5) . .
Co3 N711 C712 C723 0.1(6) . .
N711 C712 C713 C714 -1.4(9) . .
C723 C712 C713 C714 177.4(6) . .
C712 C713 C714 C715 0.7(10) . .
C713 C714 C715 C716 0.8(10) . .
C712 N711 C716 C715 1.0(9) . .
Co3 N711 C716 C715 -177.3(5) . .
C714 C715 C716 N711 -1.7(10) . .
C725 N721 N722 C723 0.4(6) . .
C726 N721 N722 C723 176.5(5) . .
C725 N721 N722 Co3 166.5(5) . .
C726 N721 N722 Co3 -17.5(9) . .
N611 Co3 N722 C723 -179.1(4) . .
N711 Co3 N722 C723 -3.5(4) . .
N242 Co3 N722 C723 50.3(7) . .
N622 Co3 N722 C723 -101.5(4) . .
N231 Co3 N722 C723 85.5(4) . .
N611 Co3 N722 N721 15.7(6) . .
N711 Co3 N722 N721 -168.7(6) . .
N242 Co3 N722 N721 -114.9(7) . .
N622 Co3 N722 N721 93.3(6) . .
N231 Co3 N722 N721 -79.7(6) . .
N721 N722 C723 C724 -1.2(7) . .
Co3 N722 C723 C724 -171.6(4) . .
N721 N722 C723 C712 175.1(5) . .
Co3 N722 C723 C712 4.8(7) . .
N711 C712 C723 N722 -3.3(8) . .
C713 C712 C723 N722 177.8(6) . .
N711 C712 C723 C724 172.2(6) . .
C713 C712 C723 C724 -6.7(10) . .
N722 C723 C724 C725 1.5(8) . .
C712 C723 C724 C725 -174.3(6) . .
C723 C724 C725 N721 -1.2(7) . .
N722 N721 C725 C724 0.5(7) . .
C726 N721 C725 C724 -175.3(6) . .
C725 N721 C726 C541 89.2(7) . 7
N722 N721 C726 C541 -86.1(6) . 7
N822 Co4 N811 C816 -173.3(5) . .
N331 Co4 N811 C816 -83.2(5) . .
N922 Co4 N811 C816 20.5(5) . .
N911 Co4 N811 C816 97.0(5) . .
N342 Co4 N811 C816 -90.1(14) . .
N822 Co4 N811 C812 2.7(4) . .
N331 Co4 N811 C812 92.8(4) . .
N922 Co4 N811 C812 -163.5(4) . .
N911 Co4 N811 C812 -87.1(4) . .
N342 Co4 N811 C812 85.9(13) . .
C816 N811 C812 C813 5.4(9) . .
Co4 N811 C812 C813 -170.9(5) . .
C816 N811 C812 C823 179.1(6) . .
Co4 N811 C812 C823 2.7(7) . .
N811 C812 C813 C814 -4.9(11) . .
C823 C812 C813 C814 -178.3(7) . .
C812 C813 C814 C815 1.6(11) . .
C813 C814 C815 C816 0.9(11) . .
C812 N811 C816 C815 -2.9(9) . .
Co4 N811 C816 C815 172.9(5) . .
C814 C815 C816 N811 -0.4(10) . .
C825 N821 N822 C823 1.2(8) . .
C826 N821 N822 C823 171.9(6) . .
C825 N821 N822 Co4 162.0(6) . .
C826 N821 N822 Co4 -27.3(9) . .
N331 Co4 N822 C823 -101.5(5) . .
N922 Co4 N822 C823 34.0(8) . .
N911 Co4 N822 C823 86.3(5) . .
N342 Co4 N822 C823 -178.7(4) . .
N811 Co4 N822 C823 -8.1(4) . .
N331 Co4 N822 N821 99.0(6) . .
N922 Co4 N822 N821 -125.5(7) . .
N911 Co4 N822 N821 -73.2(6) . .
N342 Co4 N822 N821 21.9(6) . .
N811 Co4 N822 N821 -167.6(6) . .
N821 N822 C823 C824 -1.3(8) . .
Co4 N822 C823 C824 -167.0(5) . .
N821 N822 C823 C812 177.8(6) . .
Co4 N822 C823 C812 12.1(7) . .
N811 C812 C823 N822 -10.0(9) . .
C813 C812 C823 N822 163.6(6) . .
N811 C812 C823 C824 169.0(8) . .
C813 C812 C823 C824 -17.5(13) . .
N822 C823 C824 C825 1.0(9) . .
C812 C823 C824 C825 -178.0(8) . .
N822 N821 C825 C824 -0.6(9) . .
C826 N821 C825 C824 -170.3(7) . .
C823 C824 C825 N821 -0.2(10) . .
C825 N821 C826 C641 93.8(9) . 7
N822 N821 C826 C641 -75.0(8) . 7
N822 Co4 N911 C912 -166.8(5) . .
N331 Co4 N911 C912 90.5(15) . .
N922 Co4 N911 C912 -3.6(4) . .
N342 Co4 N911 C912 90.8(4) . .
N811 Co4 N911 C912 -90.4(5) . .
N822 Co4 N911 C916 16.6(5) . .
N331 Co4 N911 C916 -86.0(16) . .
N922 Co4 N911 C916 179.9(5) . .
N342 Co4 N911 C916 -85.8(5) . .
N811 Co4 N911 C916 93.1(5) . .
C916 N911 C912 C913 3.5(9) . .
Co4 N911 C912 C913 -173.3(5) . .
C916 N911 C912 C923 -177.4(5) . .
Co4 N911 C912 C923 5.7(7) . .
N911 C912 C913 C914 -3.1(9) . .
C923 C912 C913 C914 178.0(6) . .
C912 C913 C914 C915 0.1(10) . .
C913 C914 C915 C916 2.2(10) . .
C912 N911 C916 C915 -1.1(9) . .
Co4 N911 C916 C915 175.4(5) . .
C914 C915 C916 N911 -1.7(10) . .
C925 N921 N922 C923 0.1(7) . .
C445 N921 N922 C923 175.4(6) 7 .
C925 N921 N922 Co4 169.7(5) . .
C445 N921 N922 Co4 -15.0(9) 7 .
N822 Co4 N922 C923 54.9(8) . .
N331 Co4 N922 C923 -171.3(4) . .
N911 Co4 N922 C923 0.5(4) . .
N342 Co4 N922 C923 -93.1(4) . .
N811 Co4 N922 C923 95.6(4) . .
N822 Co4 N922 N921 -114.0(7) . .
N331 Co4 N922 N921 19.7(6) . .
N911 Co4 N922 N921 -168.5(6) . .
N342 Co4 N922 N921 97.9(6) . .
N811 Co4 N922 N921 -73.3(6) . .
N921 N922 C923 C924 -0.5(7) . .
Co4 N922 C923 C924 -173.1(4) . .
N921 N922 C923 C912 175.0(5) . .
Co4 N922 C923 C912 2.3(7) . .
N911 C912 C923 N922 -5.4(8) . .
C913 C912 C923 N922 173.6(6) . .
N911 C912 C923 C924 169.0(7) . .
C913 C912 C923 C924 -12.0(11) . .
N922 C923 C924 C925 0.7(8) . .
C912 C923 C924 C925 -174.1(7) . .
N922 N921 C925 C924 0.3(8) . .
C445 N921 C925 C924 -174.6(6) 7 .
C923 C924 C925 N921 -0.6(8) . .
