#------------------------------------------------------------------------------
#$Date: 2019-06-12 11:47:34 +0300 (Wed, 12 Jun 2019) $
#$Revision: 215883 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/13/1551365.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_1551365
loop_
_publ_author_name
'Imogen A. Riddell'
'Maarten M. J. Smulders'
'Jack K. Clegg'
'Yana R. Hristova'
'Boris Breiner'
'John D. Thoburn'
'Jonathan R. Nitschke'
_publ_section_title
;
 Anion-induced reconstitution of a self-assembling system to express a
 chloride-binding Co10L15 pentagonal prism
;
_journal_name_full               'Nature Chemistry'
_journal_page_first              751
_journal_page_last               756
_journal_paper_doi               10.1038/nchem.1407
_journal_volume                  4
_journal_year                    2012
_chemical_formula_moiety         'C390 H330 Cl Co10 N60, 19(Cl O4)'
_chemical_formula_sum            'C390 H330 Cl20 Co10 N60 O76'
_chemical_formula_weight         8371.44
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yac'
_space_group_name_H-M_alt        'P 1 2/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 96.87(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   21.469(4)
_cell_length_b                   31.178(6)
_cell_length_c                   34.437(7)
_cell_measurement_reflns_used    564434
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      18.85
_cell_measurement_theta_min      1.02
_cell_volume                     22885(8)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius B.V. 1998)'
_computing_data_reduction
;
 HKL Denzo and Scalepack (Otwinowski & Minor 1997)
;
_computing_molecular_graphics
;ORTEP-3 (Farrugia, 1997)
WINGX-32 (Farrugia, 1999) 
;
_computing_publication_material  'enCIFer 1.1 (CCDC, 2005)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick 1997)'
_computing_structure_solution    'SIR-97 (Altomare et al. 1999)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.935
_diffrn_measured_fraction_theta_max 0.935
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'Thin slice ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1457
_diffrn_reflns_av_sigmaI/netI    0.0945
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            41404
_diffrn_reflns_theta_full        17.23
_diffrn_reflns_theta_max         17.23
_diffrn_reflns_theta_min         1.35
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.542
_exptl_absorpt_correction_T_max  0.988
_exptl_absorpt_correction_T_min  0.668
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements 
 Sortav (Blessing 1995)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.215
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             8616
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_platon_squeeze_details
;
;
_refine_diff_density_max         0.896
_refine_diff_density_min         -0.716
_refine_diff_density_rms         0.160
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.424
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     991
_refine_ls_number_reflns         12954
_refine_ls_number_restraints     90
_refine_ls_restrained_S_all      1.424
_refine_ls_R_factor_all          0.1992
_refine_ls_R_factor_gt           0.1570
_refine_ls_shift/su_max          0.000
_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+20.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3787
_refine_ls_wR_factor_ref         0.4130
_reflns_number_gt                7752
_reflns_number_total             12954
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            nchem.1407-s3.cif
_cod_data_source_block           squeezed
_cod_original_cell_volume        22886(8)
_cod_original_sg_symbol_H-M      P2/n
_cod_database_code               1551365
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'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
C1 C 0.6051(18) -0.1324(15) 0.1663(13) 0.30(2) Uiso 1 1 d D . .
H1A H 0.6498 -0.1335 0.1729 0.452 Uiso 1 1 d R . .
H1B H 0.5952 -0.1167 0.1424 0.452 Uiso 1 1 d R . .
H1C H 0.5889 -0.1611 0.1630 0.452 Uiso 1 1 d R . .
C2 C 0.5750(9) -0.1076(6) 0.2006(5) 0.166(11) Uiso 1 1 d GD . .
C3 C 0.5377(10) -0.1282(4) 0.2252(7) 0.235(18) Uiso 1 1 d GD . .
H3 H 0.5292 -0.1580 0.2221 0.282 Uiso 1 1 calc R . .
C4 C 0.5129(9) -0.1052(6) 0.2543(6) 0.156(10) Uiso 1 1 d GD . .
H4 H 0.4874 -0.1192 0.2711 0.187 Uiso 1 1 calc R . .
C5 C 0.5253(8) -0.0616(6) 0.2588(4) 0.106(7) Uiso 1 1 d GD . .
C6 C 0.5626(8) -0.0410(4) 0.2341(5) 0.117(8) Uiso 1 1 d GD . .
H6 H 0.5711 -0.0112 0.2372 0.141 Uiso 1 1 calc R . .
C7 C 0.5874(8) -0.0640(7) 0.2051(5) 0.142(10) Uiso 1 1 d G . .
H7 H 0.6129 -0.0500 0.1882 0.171 Uiso 1 1 calc R . .
C8 C 0.4892(9) -0.0581(6) 0.3180(6) 0.086(6) Uiso 1 1 d . . .
H8 H 0.5056 -0.0859 0.3241 0.103 Uiso 1 1 calc R . .
C9 C 0.4548(9) -0.0355(6) 0.3450(6) 0.079(6) Uiso 1 1 d . . .
C10 C 0.3991(9) 0.0260(6) 0.3608(5) 0.073(6) Uiso 1 1 d . . .
H10 H 0.3863 0.0545 0.3540 0.088 Uiso 1 1 calc R . .
C11 C 0.3830(9) 0.0084(6) 0.3961(6) 0.078(6) Uiso 1 1 d . . .
C12 C 0.4060(9) -0.0323(6) 0.4066(6) 0.078(6) Uiso 1 1 d . . .
H12 H 0.3986 -0.0446 0.4309 0.094 Uiso 1 1 calc R . .
C13 C 0.4401(10) -0.0549(7) 0.3811(6) 0.092(7) Uiso 1 1 d . . .
H13 H 0.4538 -0.0833 0.3875 0.111 Uiso 1 1 calc R . .
C14 C 0.780(2) 0.0716(16) 0.3219(9) 0.31(3) Uiso 1 1 d D . .
H14A H 0.7952 0.0447 0.3329 0.462 Uiso 1 1 d R . .
H14B H 0.7917 0.0942 0.3403 0.462 Uiso 1 1 d R . .
H14C H 0.7987 0.0769 0.2983 0.462 Uiso 1 1 d R . .
C18 C 0.5668(12) 0.0702(12) 0.2948(5) 0.260(9) Uiso 1 1 d GD . .
C19 C 0.5972(16) 0.0345(8) 0.3123(7) 0.260(9) Uiso 1 1 d G . .
H19 H 0.5735 0.0104 0.3187 0.312 Uiso 1 1 calc R . .
C20 C 0.6622(16) 0.0342(9) 0.3203(8) 0.260(9) Uiso 1 1 d G . .
H20 H 0.6830 0.0098 0.3323 0.312 Uiso 1 1 calc R . .
C15 C 0.6968(12) 0.0696(12) 0.3109(6) 0.260(9) Uiso 1 1 d GD . .
C16 C 0.6664(16) 0.1053(9) 0.2934(7) 0.260(9) Uiso 1 1 d G . .
H16 H 0.6901 0.1294 0.2869 0.312 Uiso 1 1 calc R . .
C17 C 0.6014(16) 0.1056(9) 0.2853(7) 0.260(9) Uiso 1 1 d G . .
H17 H 0.5807 0.1300 0.2734 0.312 Uiso 1 1 calc R . .
C21 C 0.4798(11) 0.1035(7) 0.2929(6) 0.101(7) Uiso 1 1 d D . .
H21 H 0.5039 0.1267 0.3046 0.121 Uiso 1 1 calc R . .
C22 C 0.4118(10) 0.1097(7) 0.2824(6) 0.084(6) Uiso 1 1 d . . .
C23 C 0.3183(10) 0.0727(6) 0.2581(5) 0.073(5) Uiso 1 1 d . . .
H23 H 0.2981 0.0469 0.2491 0.088 Uiso 1 1 calc R . .
C24 C 0.2846(8) 0.1087(6) 0.2570(5) 0.077(6) Uiso 1 1 d . . .
C25 C 0.3145(12) 0.1488(7) 0.2697(6) 0.104(7) Uiso 1 1 d . . .
H25 H 0.2924 0.1752 0.2689 0.125 Uiso 1 1 calc R . .
C26 C 0.3786(13) 0.1455(8) 0.2833(7) 0.115(8) Uiso 1 1 d . . .
H26 H 0.3995 0.1705 0.2939 0.138 Uiso 1 1 calc R . .
C27 C 0.2358(10) -0.1248(7) 0.3625(6) 0.131(9) Uiso 1 1 d D . .
H27A H 0.2172 -0.1506 0.3495 0.196 Uiso 1 1 calc R . .
H27B H 0.2025 -0.1068 0.3709 0.196 Uiso 1 1 calc R . .
H27C H 0.2649 -0.1332 0.3853 0.196 Uiso 1 1 calc R . .
C28 C 0.2716(8) -0.0995(5) 0.3337(5) 0.096(7) Uiso 1 1 d DU . .
C29 C 0.3023(10) -0.1221(7) 0.3093(6) 0.103(7) Uiso 1 1 d U . .
H29 H 0.3023 -0.1526 0.3096 0.123 Uiso 1 1 calc R . .
C30 C 0.3354(9) -0.0982(6) 0.2824(6) 0.082(6) Uiso 1 1 d U . .
H30 H 0.3577 -0.1130 0.2643 0.099 Uiso 1 1 calc R . .
C31 C 0.3348(9) -0.0549(6) 0.2828(6) 0.082(6) Uiso 1 1 d DU . .
C32 C 0.2973(9) -0.0328(6) 0.3066(5) 0.076(6) Uiso 1 1 d U . .
H32 H 0.2937 -0.0025 0.3045 0.091 Uiso 1 1 calc R . .
C33 C 0.2657(9) -0.0542(5) 0.3331(5) 0.069(5) Uiso 1 1 d . . .
H33 H 0.2413 -0.0395 0.3501 0.083 Uiso 1 1 calc R . .
C34 C 0.3725(8) -0.0424(5) 0.2216(5) 0.064(5) Uiso 1 1 d . . .
H34 H 0.3511 -0.0676 0.2120 0.077 Uiso 1 1 calc R . .
C35 C 0.4093(5) -0.0192(3) 0.1973(3) 0.065(5) Uiso 1 1 d G . .
N6 N 0.4410(5) 0.0160(3) 0.2147(2) 0.082(5) Uiso 1 1 d GD . .
C36 C 0.4759(5) 0.0422(3) 0.1929(3) 0.061(5) Uiso 1 1 d G . .
H36 H 0.4976 0.0663 0.2048 0.073 Uiso 1 1 calc R . .
C37 C 0.4792(5) 0.0332(3) 0.1537(3) 0.067(5) Uiso 1 1 d G . .
C38 C 0.4476(6) -0.0020(4) 0.1362(2) 0.076(6) Uiso 1 1 d G . .
H38 H 0.4498 -0.0082 0.1094 0.092 Uiso 1 1 calc R . .
C39 C 0.4126(5) -0.0282(3) 0.1580(3) 0.074(6) Uiso 1 1 d G . .
H39 H 0.3910 -0.0523 0.1461 0.089 Uiso 1 1 calc R . .
C40 C 0.5141(6) 0.0618(3) 0.1309(3) 0.069(5) Uiso 1 1 d G . .
C41 C 0.5061(5) 0.1058(3) 0.1349(3) 0.057(5) Uiso 1 1 d G . .
H41 H 0.4792 0.1164 0.1526 0.069 Uiso 1 1 calc R . .
N7 N 0.5377(5) 0.1341(2) 0.1130(3) 0.065(4) Uiso 1 1 d GD . .
C42 C 0.5772(5) 0.1185(3) 0.0871(3) 0.062(5) Uiso 1 1 d G . .
C43 C 0.5851(6) 0.0745(3) 0.0831(3) 0.083(6) Uiso 1 1 d G . .
H43 H 0.6121 0.0639 0.0654 0.100 Uiso 1 1 calc R . .
C44 C 0.5536(6) 0.0462(2) 0.1050(4) 0.075(6) Uiso 1 1 d G . .
H44 H 0.5590 0.0161 0.1023 0.090 Uiso 1 1 calc R . .
C45 C 0.6052(8) 0.1495(6) 0.0649(5) 0.065(5) Uiso 1 1 d . . .
H45 H 0.6305 0.1402 0.0456 0.079 Uiso 1 1 calc R . .
C46 C 0.6237(7) 0.2193(5) 0.0461(5) 0.094(7) Uiso 1 1 d GD . .
C47 C 0.6355(9) 0.2601(6) 0.0614(5) 0.133(9) Uiso 1 1 d GD . .
H47 H 0.6359 0.2649 0.0887 0.159 Uiso 1 1 calc R . .
C48 C 0.6466(9) 0.2939(4) 0.0369(7) 0.174(12) Uiso 1 1 d GD . .
H48 H 0.6547 0.3218 0.0474 0.208 Uiso 1 1 calc R . .
C49 C 0.6460(8) 0.2869(6) -0.0030(6) 0.208(15) Uiso 1 1 d GD . .
C50 C 0.6342(10) 0.2460(8) -0.0184(4) 0.183(13) Uiso 1 1 d GD . .
H50 H 0.6338 0.2412 -0.0457 0.219 Uiso 1 1 calc R . .
C51 C 0.6231(9) 0.2122(5) 0.0062(6) 0.165(11) Uiso 1 1 d GD . .
H51 H 0.6150 0.1843 -0.0043 0.198 Uiso 1 1 calc R . .
C52 C 0.6604(14) 0.3313(11) -0.0311(11) 0.211(15) Uiso 1 1 d D . .
H52A H 0.7045 0.3312 -0.0359 0.316 Uiso 1 1 calc R . .
H52B H 0.6515 0.3575 -0.0171 0.316 Uiso 1 1 calc R . .
H52C H 0.6334 0.3301 -0.0561 0.316 Uiso 1 1 calc R . .
C53 C 0.8240(10) 0.2237(16) 0.2259(14) 0.47(4) Uiso 1 1 d DU . .
H53A H 0.8495 0.2212 0.2049 0.707 Uiso 1 1 d R . .
H53B H 0.8305 0.1992 0.2427 0.707 Uiso 1 1 d R . .
H53C H 0.8352 0.2493 0.2406 0.707 Uiso 1 1 d R . .
C54 C 0.7538(9) 0.2253(9) 0.2080(8) 0.33(2) Uiso 1 1 d GDU . .
C55 C 0.7087(15) 0.2496(10) 0.2237(7) 0.36(3) Uiso 1 1 d GDU . .
H55 H 0.7200 0.2663 0.2465 0.429 Uiso 1 1 calc R . .
C56 C 0.6469(13) 0.2493(10) 0.2061(10) 0.36(2) Uiso 1 1 d GDU . .
H56 H 0.6161 0.2659 0.2168 0.431 Uiso 1 1 calc R . .
C57 C 0.6304(10) 0.2247(9) 0.1728(9) 0.207(14) Uiso 1 1 d GDU . .
C58 C 0.6755(15) 0.2004(8) 0.1570(6) 0.196(13) Uiso 1 1 d GDU . .
H58 H 0.6642 0.1837 0.1343 0.235 Uiso 1 1 calc R . .
C59 C 0.7373(12) 0.2007(8) 0.1747(9) 0.285(19) Uiso 1 1 d GDU . .
H59 H 0.7681 0.1841 0.1639 0.342 Uiso 1 1 calc R . .
C60 C 0.5245(11) 0.2184(6) 0.1868(7) 0.097(7) Uiso 1 1 d . . .
H60 H 0.5398 0.2231 0.2135 0.117 Uiso 1 1 calc R . .
C61 C 0.4570(11) 0.2130(6) 0.1733(6) 0.086(6) Uiso 1 1 d . . .
C62 C 0.3817(10) 0.2040(5) 0.1223(6) 0.072(5) Uiso 1 1 d . . .
H62 H 0.3708 0.2006 0.0949 0.086 Uiso 1 1 calc R . .
C63 C 0.3328(9) 0.2068(5) 0.1444(5) 0.070(5) Uiso 1 1 d . . .
C64 C 0.3497(12) 0.2134(7) 0.1838(7) 0.113(8) Uiso 1 1 d . . .
H64 H 0.3182 0.2162 0.2008 0.135 Uiso 1 1 calc R . .
C65 C 0.4151(11) 0.2162(6) 0.1993(7) 0.095(7) Uiso 1 1 d . . .
H65 H 0.4279 0.2201 0.2265 0.114 Uiso 1 1 calc R . .
C66 C 0.2652(10) 0.2065(6) 0.1285(6) 0.082(6) Uiso 1 1 d . . .
C67 C 0.2471(12) 0.1882(6) 0.0907(6) 0.098(7) Uiso 1 1 d . . .
H67 H 0.2788 0.1780 0.0760 0.118 Uiso 1 1 calc R . .
C68 C 0.1441(10) 0.2021(6) 0.0938(6) 0.082(6) Uiso 1 1 d . . .
C69 C 0.1533(11) 0.2215(6) 0.1289(6) 0.098(7) Uiso 1 1 d . . .
H69 H 0.1196 0.2324 0.1415 0.118 Uiso 1 1 calc R . .
C70 C 0.2181(11) 0.2247(7) 0.1462(7) 0.097(7) Uiso 1 1 d . . .
H70 H 0.2279 0.2397 0.1701 0.117 Uiso 1 1 calc R . .
C71 C 0.0816(12) 0.1962(7) 0.0757(7) 0.106(7) Uiso 1 1 d . . .
H71 H 0.0474 0.2079 0.0874 0.127 Uiso 1 1 calc R . .
C72 C 0.0093(14) 0.1712(9) 0.0255(10) 0.194(13) Uiso 1 1 d GDU . .
C73 C -0.0060(16) 0.1864(9) -0.0124(10) 0.30(2) Uiso 1 1 d GDU . .
H73 H 0.0238 0.2026 -0.0246 0.358 Uiso 1 1 calc R . .
C74 C -0.0648(19) 0.1780(7) -0.0324(8) 0.32(2) Uiso 1 1 d GDU . .
H74 H -0.0753 0.1884 -0.0583 0.388 Uiso 1 1 calc R . .
C75 C -0.1084(14) 0.1544(9) -0.0146(11) 0.36(2) Uiso 1 1 d GDU . .
C76 C -0.0931(17) 0.1392(9) 0.0233(10) 0.42(3) Uiso 1 1 d GDU . .
H76 H -0.1229 0.1230 0.0355 0.502 Uiso 1 1 calc R . .
C77 C -0.034(2) 0.1476(8) 0.0433(8) 0.33(2) Uiso 1 1 d GDU . .
H77 H -0.0238 0.1372 0.0692 0.397 Uiso 1 1 calc R . .
C78 C -0.1753(17) 0.1448(16) -0.0374(17) 0.58(5) Uiso 1 1 d DU . .
H78A H -0.2041 0.1493 -0.0184 0.874 Uiso 1 1 d R . .
H78B H -0.1762 0.1152 -0.0450 0.874 Uiso 1 1 d R . .
H78C H -0.1873 0.1624 -0.0599 0.874 Uiso 1 1 d R . .
C79 C 0.0573(17) -0.0389(11) -0.0812(11) 0.198(14) Uiso 1 1 d . . .
H79A H 0.0816 -0.0594 -0.0638 0.297 Uiso 1 1 calc R . .
H79B H 0.0663 -0.0434 -0.1081 0.297 Uiso 1 1 calc R . .
H79C H 0.0124 -0.0434 -0.0798 0.297 Uiso 1 1 calc R . .
C80 C 0.0765(13) 0.0099(9) -0.0675(8) 0.130(9) Uiso 1 1 d . . .
C81 C 0.0512(11) 0.0270(8) -0.0394(7) 0.109(7) Uiso 1 1 d . . .
H81 H 0.0234 0.0102 -0.0263 0.131 Uiso 1 1 calc R . .
C82 C 0.0623(12) 0.0673(8) -0.0277(8) 0.126(8) Uiso 1 1 d . . .
H82 H 0.0439 0.0790 -0.0063 0.151 Uiso 1 1 calc R . .
C83 C 0.1045(11) 0.0932(7) -0.0494(7) 0.100(7) Uiso 1 1 d . . .
C84 C 0.1323(10) 0.0746(7) -0.0786(6) 0.098(7) Uiso 1 1 d . . .
H84 H 0.1623 0.0898 -0.0914 0.117 Uiso 1 1 calc R . .
C85 C 0.1144(13) 0.0299(9) -0.0899(9) 0.139(9) Uiso 1 1 d . . .
H85 H 0.1290 0.0163 -0.1118 0.166 Uiso 1 1 calc R . .
C86 C 0.1273(10) 0.1632(7) -0.0624(7) 0.091(6) Uiso 1 1 d . . .
H86 H 0.1216 0.1553 -0.0892 0.109 Uiso 1 1 calc R . .
C87 C 0.1440(11) 0.2081(7) -0.0529(7) 0.098(7) Uiso 1 1 d . . .
C88 C 0.1696(10) 0.2540(7) -0.0005(7) 0.095(7) Uiso 1 1 d . . .
H88 H 0.1777 0.2585 0.0270 0.114 Uiso 1 1 calc R . .
C89 C 0.1769(11) 0.2876(7) -0.0251(7) 0.107(7) Uiso 1 1 d . . .
C90 C 0.1675(12) 0.2790(9) -0.0681(8) 0.129(9) Uiso 1 1 d . . .
H90 H 0.1736 0.3012 -0.0861 0.155 Uiso 1 1 calc R . .
C91 C 0.1503(11) 0.2393(7) -0.0810(7) 0.109(7) Uiso 1 1 d . . .
H91 H 0.1428 0.2330 -0.1081 0.131 Uiso 1 1 calc R . .
C92 C 0.3704(15) 0.2521(9) -0.0982(9) 0.169(12) Uiso 1 1 d . . .
H92A H 0.4081 0.2644 -0.0834 0.253 Uiso 1 1 calc R . .
H92B H 0.3426 0.2753 -0.1087 0.253 Uiso 1 1 calc R . .
H92C H 0.3825 0.2346 -0.1197 0.253 Uiso 1 1 calc R . .
C93 C 0.3346(14) 0.2226(9) -0.0697(9) 0.142(10) Uiso 1 1 d . . .
C94 C 0.3158(12) 0.1825(8) -0.0858(8) 0.121(8) Uiso 1 1 d . . .
H94 H 0.3197 0.1750 -0.1121 0.146 Uiso 1 1 calc R . .
C95 C 0.2904(10) 0.1541(7) -0.0590(6) 0.094(7) Uiso 1 1 d . . .
H95 H 0.2809 0.1252 -0.0663 0.112 Uiso 1 1 calc R . .
C96 C 0.2800(11) 0.1685(7) -0.0230(7) 0.100(7) Uiso 1 1 d . . .
C97 C 0.2993(11) 0.2092(7) -0.0091(7) 0.102(7) Uiso 1 1 d . . .
H97 H 0.2939 0.2173 0.0169 0.123 Uiso 1 1 calc R . .
C98 C 0.3261(12) 0.2377(8) -0.0331(8) 0.122(8) Uiso 1 1 d . . .
H98 H 0.3379 0.2660 -0.0248 0.147 Uiso 1 1 calc R . .
C99 C 0.2589(8) 0.1010(5) 0.0067(5) 0.060(5) Uiso 1 1 d . . .
H99 H 0.2906 0.0880 -0.0063 0.072 Uiso 1 1 calc R . .
C100 C 0.2239(9) 0.0742(6) 0.0309(5) 0.072(5) Uiso 1 1 d . . .
C101 C 0.1426(9) 0.0724(6) 0.0690(5) 0.071(5) Uiso 1 1 d . . .
H101 H 0.1097 0.0866 0.0801 0.085 Uiso 1 1 calc R . .
C102 C 0.1542(9) 0.0311(6) 0.0792(5) 0.065(5) Uiso 1 1 d . . .
C103 C 0.1999(9) 0.0094(6) 0.0614(5) 0.079(6) Uiso 1 1 d . . .
H103 H 0.2063 -0.0205 0.0651 0.095 Uiso 1 1 calc R . .
C104 C 0.2347(9) 0.0324(6) 0.0390(5) 0.078(6) Uiso 1 1 d . . .
H104 H 0.2683 0.0186 0.0284 0.094 Uiso 1 1 calc R . .
C105 C 0.4153(13) 0.0147(8) -0.0128(8) 0.144(10) Uiso 1 1 d . . .
H10A H 0.3992 0.0166 -0.0406 0.215 Uiso 1 1 calc R . .
H10B H 0.3843 0.0003 0.0013 0.215 Uiso 1 1 calc R . .
H10C H 0.4545 -0.0017 -0.0098 0.215 Uiso 1 1 calc R . .
C106 C 0.4287(11) 0.0643(7) 0.0054(7) 0.107(7) Uiso 1 1 d . . .
C107 C 0.4624(11) 0.0906(7) -0.0164(7) 0.107(7) Uiso 1 1 d . . .
H107 H 0.4773 0.0797 -0.0393 0.128 Uiso 1 1 calc R . .
C108 C 0.4749(11) 0.1326(7) -0.0054(7) 0.106(7) Uiso 1 1 d . . .
H108 H 0.4998 0.1506 -0.0196 0.127 Uiso 1 1 calc R . .
C109 C 0.4486(9) 0.1478(6) 0.0286(6) 0.075(6) Uiso 1 1 d . . .
C110 C 0.4066(10) 0.0745(6) 0.0380(6) 0.088(6) Uiso 1 1 d . . .
H110 H 0.3849 0.0546 0.0524 0.106 Uiso 1 1 calc R . .
C111 C 0.4179(9) 0.1183(6) 0.0505(6) 0.087(6) Uiso 1 1 d . . .
H111 H 0.4041 0.1275 0.0743 0.104 Uiso 1 1 calc R . .
C112 C 0.4598(10) 0.2234(7) 0.0241(7) 0.097(7) Uiso 1 1 d . . .
H112 H 0.4434 0.2223 -0.0028 0.116 Uiso 1 1 calc R . .
C113 C 0.4782(9) 0.2636(6) 0.0398(6) 0.077(6) Uiso 1 1 d . . .
C114 C 0.5125(9) 0.3007(6) 0.0966(6) 0.088(6) Uiso 1 1 d . . .
H114 H 0.5262 0.3013 0.1238 0.106 Uiso 1 1 calc R . .
C115 C 0.5092(10) 0.3408(6) 0.0758(6) 0.086(6) Uiso 1 1 d . . .
C116 C 0.4928(9) 0.3386(7) 0.0369(6) 0.086(6) Uiso 1 1 d . . .
H116 H 0.4921 0.3642 0.0219 0.104 Uiso 1 1 calc R . .
C117 C 0.4771(9) 0.3007(6) 0.0181(6) 0.086(6) Uiso 1 1 d . . .
H117 H 0.4657 0.3001 -0.0094 0.104 Uiso 1 1 calc R . .
C118 C 0.5283(9) 0.3790(6) 0.0982(5) 0.075(6) Uiso 1 1 d . . .
C119 C 0.5059(9) 0.3918(6) 0.1311(5) 0.069(5) Uiso 1 1 d . . .
H119 H 0.4770 0.3729 0.1410 0.082 Uiso 1 1 calc R . .
C120 C 0.5615(9) 0.4552(6) 0.1366(6) 0.079(6) Uiso 1 1 d . . .
C121 C 0.5852(11) 0.4461(7) 0.1005(6) 0.101(7) Uiso 1 1 d . . .
H121 H 0.6118 0.4660 0.0897 0.121 Uiso 1 1 calc R . .
C122 C 0.5691(9) 0.4085(6) 0.0815(6) 0.085(6) Uiso 1 1 d . . .
H122 H 0.5848 0.4019 0.0575 0.102 Uiso 1 1 calc R . .
C123 C 0.5737(9) 0.4919(6) 0.1580(6) 0.079(6) Uiso 1 1 d . . .
H123 H 0.6041 0.5110 0.1498 0.094 Uiso 1 1 calc R . .
C124 C 0.5531(12) 0.5459(7) 0.2061(5) 0.260(8) Uiso 1 1 d GD . .
C125 C 0.5556(12) 0.5835(8) 0.1846(5) 0.260(8) Uiso 1 1 d GD . .
H125 H 0.5447 0.5832 0.1571 0.312 Uiso 1 1 calc R . .
C126 C 0.5740(11) 0.6216(7) 0.2035(6) 0.260(8) Uiso 1 1 d GD . .
H126 H 0.5757 0.6474 0.1889 0.312 Uiso 1 1 calc R . .
C127 C 0.5899(9) 0.6221(7) 0.2439(6) 0.260(8) Uiso 1 1 d GD . .
C128 C 0.5874(11) 0.5845(8) 0.2653(5) 0.260(8) Uiso 1 1 d GD . .
H128 H 0.5983 0.5849 0.2928 0.312 Uiso 1 1 calc R . .
C129 C 0.5690(13) 0.5464(7) 0.2464(5) 0.260(8) Uiso 1 1 d GD . .
H129 H 0.5673 0.5207 0.2610 0.312 Uiso 1 1 calc R . .
C130 C 0.6112(16) 0.6662(12) 0.2657(9) 0.260(8) Uiso 1 1 d D . .
H13A H 0.6558 0.6713 0.2640 0.390 Uiso 1 1 calc R . .
H13B H 0.6042 0.6643 0.2933 0.390 Uiso 1 1 calc R . .
H13C H 0.5866 0.6900 0.2532 0.390 Uiso 1 1 calc R . .
C131 C 0.783(2) 0.4375(14) 0.3170(10) 0.254(19) Uiso 1 1 d D . .
H13D H 0.7768 0.4571 0.3384 0.381 Uiso 1 1 calc R . .
H13E H 0.8068 0.4522 0.2982 0.381 Uiso 1 1 calc R . .
H13F H 0.8072 0.4124 0.3276 0.381 Uiso 1 1 calc R . .
C132 C 0.7175(9) 0.4223(11) 0.2956(6) 0.193(13) Uiso 1 1 d GD . .
C133 C 0.6794(14) 0.4585(8) 0.2925(7) 0.248(19) Uiso 1 1 d GD . .
H133 H 0.6954 0.4852 0.3025 0.297 Uiso 1 1 calc R . .
C134 C 0.6178(13) 0.4556(7) 0.2749(7) 0.210(15) Uiso 1 1 d GD . .
H134 H 0.5918 0.4803 0.2728 0.252 Uiso 1 1 calc R . .
C135 C 0.5944(9) 0.4164(9) 0.2603(6) 0.130(9) Uiso 1 1 d GD . .
C136 C 0.6325(14) 0.3803(6) 0.2634(7) 0.215(16) Uiso 1 1 d GD . .
H136 H 0.6164 0.3535 0.2534 0.258 Uiso 1 1 calc R . .
C137 C 0.6940(13) 0.3832(8) 0.2810(7) 0.231(17) Uiso 1 1 d GD . .
H137 H 0.7201 0.3585 0.2831 0.277 Uiso 1 1 calc R . .
C138 C 0.5061(13) 0.3791(9) 0.2448(8) 0.133(9) Uiso 1 1 d . . .
H138 H 0.5272 0.3574 0.2607 0.159 Uiso 1 1 calc R . .
C139 C 0.4392(13) 0.3735(8) 0.2237(8) 0.122(8) Uiso 1 1 d . . .
C140 C 0.3556(11) 0.4031(7) 0.1843(6) 0.092(6) Uiso 1 1 d . . .
H140 H 0.3395 0.4258 0.1677 0.110 Uiso 1 1 calc R . .
C141 C 0.3160(12) 0.3671(7) 0.1901(6) 0.092(6) Uiso 1 1 d . . .
C142 C 0.3428(14) 0.3306(9) 0.2113(8) 0.133(9) Uiso 1 1 d . . .
H142 H 0.3193 0.3050 0.2127 0.159 Uiso 1 1 calc R . .
C143 C 0.4032(13) 0.3334(8) 0.2297(8) 0.127(9) Uiso 1 1 d . . .
H143 H 0.4214 0.3107 0.2456 0.152 Uiso 1 1 calc R . .
C144 C 0.4146(15) 0.4971(10) -0.0085(9) 0.175(12) Uiso 1 1 d . . .
H14D H 0.3880 0.4732 -0.0187 0.263 Uiso 1 1 calc R . .
H14E H 0.4571 0.4931 -0.0155 0.263 Uiso 1 1 calc R . .
H14F H 0.3973 0.5241 -0.0199 0.263 Uiso 1 1 calc R . .
C145 C 0.4167(12) 0.4989(8) 0.0353(8) 0.114(8) Uiso 1 1 d . . .
C146 C 0.4298(14) 0.5374(10) 0.0580(9) 0.150(10) Uiso 1 1 d . . .
H146 H 0.4406 0.5635 0.0463 0.180 Uiso 1 1 calc R . .
C147 C 0.4260(10) 0.5348(7) 0.0961(7) 0.106(7) Uiso 1 1 d . . .
H147 H 0.4315 0.5602 0.1114 0.127 Uiso 1 1 calc R . .
C148 C 0.4142(10) 0.4959(7) 0.1150(7) 0.092(6) Uiso 1 1 d . . .
C149 C 0.4031(10) 0.4615(7) 0.0941(6) 0.094(7) Uiso 1 1 d . . .
H149 H 0.3940 0.4358 0.1071 0.113 Uiso 1 1 calc R . .
C150 C 0.4038(12) 0.4599(8) 0.0533(8) 0.123(8) Uiso 1 1 d . . .
H150 H 0.3960 0.4342 0.0388 0.147 Uiso 1 1 calc R . .
C151 C 0.3917(10) 0.5269(6) 0.1755(6) 0.088(6) Uiso 1 1 d . . .
H151 H 0.3694 0.5494 0.1614 0.106 Uiso 1 1 calc R . .
C152 C 0.3977(10) 0.5270(7) 0.2168(6) 0.091(6) Uiso 1 1 d . . .
C153 C 0.4343(10) 0.4915(6) 0.2769(6) 0.088(6) Uiso 1 1 d . . .
H153 H 0.4546 0.4674 0.2896 0.106 Uiso 1 1 calc R . .
C154 C 0.4084(9) 0.5220(6) 0.2996(6) 0.081(6) Uiso 1 1 d . . .
C155 C 0.3748(12) 0.5552(8) 0.2785(7) 0.118(8) Uiso 1 1 d . . .
H155 H 0.3554 0.5765 0.2927 0.142 Uiso 1 1 calc R . .
C156 C 0.3691(11) 0.5580(7) 0.2391(7) 0.113(8) Uiso 1 1 d . . .
H156 H 0.3458 0.5808 0.2262 0.136 Uiso 1 1 calc R . .
C157 C 0.4104(9) 0.5165(6) 0.3409(6) 0.079(6) Uiso 1 1 d . . .
C158 C 0.4025(9) 0.4787(6) 0.3587(6) 0.080(6) Uiso 1 1 d . . .
H158 H 0.3943 0.4539 0.3428 0.096 Uiso 1 1 calc R . .
C159 C 0.4218(9) 0.5083(6) 0.4214(6) 0.082(6) Uiso 1 1 d . . .
C160 C 0.4320(11) 0.5477(7) 0.4052(7) 0.108(7) Uiso 1 1 d . . .
H160 H 0.4428 0.5718 0.4214 0.129 Uiso 1 1 calc R . .
C161 C 0.4262(10) 0.5518(7) 0.3634(7) 0.101(7) Uiso 1 1 d . . .
H161 H 0.4333 0.5786 0.3516 0.121 Uiso 1 1 calc R . .
C162 C 0.4222(9) 0.4997(7) 0.4625(6) 0.088(6) Uiso 1 1 d . . .
H162 H 0.4358 0.5222 0.4801 0.106 Uiso 1 1 calc R . .
C163 C 0.4075(11) 0.4597(8) 0.5184(7) 0.101(7) Uiso 1 1 d . . .
C164 C 0.3892(13) 0.4938(9) 0.5387(9) 0.143(10) Uiso 1 1 d . . .
H164 H 0.3751 0.5198 0.5262 0.171 Uiso 1 1 calc R . .
C165 C 0.3924(13) 0.4882(9) 0.5806(9) 0.145(10) Uiso 1 1 d . . .
H165 H 0.3836 0.5115 0.5970 0.173 Uiso 1 1 calc R . .
C166 C 0.4084(14) 0.4485(10) 0.5963(9) 0.144(10) Uiso 1 1 d . . .
C167 C 0.4239(13) 0.4149(9) 0.5745(8) 0.139(9) Uiso 1 1 d . . .
H167 H 0.4358 0.3880 0.5861 0.167 Uiso 1 1 calc R . .
C168 C 0.4218(11) 0.4214(8) 0.5333(7) 0.114(8) Uiso 1 1 d . . .
H168 H 0.4305 0.3984 0.5167 0.137 Uiso 1 1 calc R . .
C169 C 0.409(2) 0.4436(14) 0.6414(14) 0.26(2) Uiso 1 1 d . . .
H16A H 0.3873 0.4170 0.6471 0.388 Uiso 1 1 calc R . .
H16B H 0.3876 0.4681 0.6517 0.388 Uiso 1 1 calc R . .
H16C H 0.4525 0.4424 0.6539 0.388 Uiso 1 1 calc R . .
C170 C 0.2485(11) 0.6322(11) 0.3692(11) 0.199(14) Uiso 1 1 d D . .
H17A H 0.2040 0.6403 0.3657 0.299 Uiso 1 1 calc R . .
H17B H 0.2647 0.6324 0.3438 0.299 Uiso 1 1 calc R . .
H17C H 0.2721 0.6527 0.3868 0.299 Uiso 1 1 calc R . .
C171 C 0.2558(6) 0.5858(9) 0.3874(9) 0.132(9) Uiso 1 1 d D . .
C172 C 0.2563(7) 0.5809(8) 0.4251(7) 0.114(8) Uiso 1 1 d D . .
H172 H 0.2523 0.6054 0.4410 0.137 Uiso 1 1 calc R . .
C173 C 0.2624(7) 0.5422(7) 0.4418(7) 0.100(7) Uiso 1 1 d D . .
H173 H 0.2627 0.5390 0.4693 0.120 Uiso 1 1 calc R . .
C174 C 0.2686(7) 0.5051(7) 0.4169(6) 0.096(7) Uiso 1 1 d D . .
C175 C 0.2677(7) 0.5121(6) 0.3773(6) 0.086(6) Uiso 1 1 d D . .
H175 H 0.2715 0.4888 0.3600 0.103 Uiso 1 1 calc R . .
C176 C 0.2612(7) 0.5526(7) 0.3635(7) 0.103(7) Uiso 1 1 d D . .
H176 H 0.2606 0.5576 0.3362 0.124 Uiso 1 1 calc R . .
C177 C 0.2523(10) 0.4506(6) 0.4614(6) 0.091(6) Uiso 1 1 d . . .
H177 H 0.2196 0.4673 0.4700 0.109 Uiso 1 1 calc R . .
C178 C 0.2670(9) 0.4096(6) 0.4779(6) 0.079(6) Uiso 1 1 d . . .
C179 C 0.3300(10) 0.3495(7) 0.4807(6) 0.095(7) Uiso 1 1 d . . .
H179 H 0.3627 0.3341 0.4707 0.114 Uiso 1 1 calc R . .
C180 C 0.2998(11) 0.3310(7) 0.5099(6) 0.096(7) Uiso 1 1 d . . .
C181 C 0.2538(11) 0.3550(7) 0.5228(7) 0.101(7) Uiso 1 1 d . . .
H181 H 0.2325 0.3442 0.5434 0.121 Uiso 1 1 calc R . .
C182 C 0.2371(11) 0.3939(6) 0.5074(6) 0.107(7) Uiso 1 1 d . . .
H182 H 0.2047 0.4100 0.5171 0.128 Uiso 1 1 calc R . .
C183 C 0.6471(11) 0.3346(6) 0.5415(6) 0.42(4) Uiso 1 1 d RD . .
H18A H 0.6910 0.3413 0.5387 0.623 Uiso 1 1 calc R . .
H18B H 0.6437 0.3044 0.5489 0.623 Uiso 1 1 calc R . .
H18C H 0.6328 0.3529 0.5618 0.623 Uiso 1 1 calc R . .
C184 C 0.5991(10) 0.3442(5) 0.4956(7) 0.229(8) Uiso 1 1 d GD . .
C185 C 0.5877(11) 0.3869(5) 0.4856(7) 0.229(8) Uiso 1 1 d GD . .
H185 H 0.6187 0.4080 0.4931 0.275 Uiso 1 1 calc R . .
C186 C 0.5309(11) 0.3987(6) 0.4646(7) 0.229(8) Uiso 1 1 d G . .
H186 H 0.5231 0.4279 0.4578 0.275 Uiso 1 1 calc R . .
C187 C 0.4855(10) 0.3678(7) 0.4537(7) 0.229(8) Uiso 1 1 d GD . .
C188 C 0.4969(11) 0.3251(6) 0.4636(7) 0.229(8) Uiso 1 1 d G . .
H188 H 0.4659 0.3040 0.4561 0.275 Uiso 1 1 calc R . .
C189 C 0.5537(11) 0.3133(5) 0.4846(7) 0.229(8) Uiso 1 1 d GD . .
H189 H 0.5615 0.2841 0.4914 0.275 Uiso 1 1 calc R . .
C190 C 0.4224(17) 0.3548(9) 0.3904(10) 0.161(11) Uiso 1 1 d D . .
H190 H 0.4545 0.3380 0.3812 0.194 Uiso 1 1 calc R . .
C191 C 0.3603(14) 0.3607(9) 0.3661(8) 0.129(9) Uiso 1 1 d . . .
C192 C 0.2661(12) 0.3902(7) 0.3618(7) 0.107(7) Uiso 1 1 d . . .
H192 H 0.2356 0.4064 0.3733 0.129 Uiso 1 1 calc R . .
C193 C 0.2468(13) 0.3652(7) 0.3263(7) 0.103(7) Uiso 1 1 d . . .
C194 C 0.2896(12) 0.3414(7) 0.3144(7) 0.111(8) Uiso 1 1 d . . .
H194 H 0.2787 0.3246 0.2916 0.133 Uiso 1 1 calc R . .
C195 C 0.3496(13) 0.3387(8) 0.3325(7) 0.119(8) Uiso 1 1 d . . .
H195 H 0.3812 0.3226 0.3221 0.142 Uiso 1 1 calc R . .
N1 N 0.4971(8) -0.0406(5) 0.2866(5) 0.090(5) Uiso 1 1 d . . .
N2 N 0.4325(7) 0.0035(5) 0.3361(4) 0.071(4) Uiso 1 1 d . . .
N3 N 0.5067(10) 0.0698(6) 0.2871(3) 0.118(6) Uiso 1 1 d D . .
N4 N 0.3806(8) 0.0715(5) 0.2718(4) 0.077(4) Uiso 1 1 d D . .
N5 N 0.3680(6) -0.0296(4) 0.2558(4) 0.063(4) Uiso 1 1 d D . .
N8 N 0.5980(7) 0.1878(5) 0.0695(4) 0.073(4) Uiso 1 1 d D . .
N9 N 0.5610(8) 0.2162(5) 0.1600(5) 0.090(5) Uiso 1 1 d D . .
N10 N 0.4385(8) 0.2054(4) 0.1339(4) 0.070(4) Uiso 1 1 d D . .
N11 N 0.1900(8) 0.1850(4) 0.0761(4) 0.074(4) Uiso 1 1 d D . .
N12 N 0.0715(10) 0.1754(6) 0.0440(6) 0.120(6) Uiso 1 1 d D . .
N13 N 0.1203(8) 0.1349(5) -0.0380(5) 0.087(5) Uiso 1 1 d . . .
N14 N 0.1523(8) 0.2171(5) -0.0131(5) 0.089(5) Uiso 1 1 d . . .
N15 N 0.2494(7) 0.1412(5) 0.0020(4) 0.073(4) Uiso 1 1 d . . .
N16 N 0.1735(7) 0.0945(4) 0.0449(4) 0.073(4) Uiso 1 1 d . . .
N17 N 0.4633(7) 0.1880(5) 0.0433(4) 0.075(4) Uiso 1 1 d D . .
N18 N 0.4981(7) 0.2637(5) 0.0805(4) 0.079(5) Uiso 1 1 d D . .
N19 N 0.5182(8) 0.4257(5) 0.1505(4) 0.085(5) Uiso 1 1 d D . .
N20 N 0.5483(8) 0.5024(5) 0.1873(4) 0.093(5) Uiso 1 1 d D . .
N21 N 0.5317(9) 0.4166(6) 0.2389(5) 0.098(5) Uiso 1 1 d . . .
N22 N 0.4117(8) 0.4055(5) 0.2010(5) 0.083(5) Uiso 1 1 d . . .
N23 N 0.4157(8) 0.4971(5) 0.1570(5) 0.086(5) Uiso 1 1 d . . .
N24 N 0.4319(8) 0.4946(5) 0.2362(5) 0.098(5) Uiso 1 1 d . . .
N25 N 0.4056(8) 0.4746(5) 0.3958(5) 0.094(5) Uiso 1 1 d . . .
N26 N 0.4069(7) 0.4667(5) 0.4762(5) 0.085(5) Uiso 1 1 d . . .
N27 N 0.2826(8) 0.4642(5) 0.4355(5) 0.079(5) Uiso 1 1 d . . .
N28 N 0.3143(7) 0.3885(5) 0.4662(4) 0.076(4) Uiso 1 1 d . . .
N29 N 0.3242(8) 0.3908(5) 0.3780(5) 0.085(5) Uiso 1 1 d D . .
N30 N 0.4310(10) 0.3740(5) 0.4256(7) 0.150(8) Uiso 1 1 d D . .
O1 O 0.3332(10) 0.3569(7) 0.0780(6) 0.162(7) Uiso 1 1 d . . .
O2 O 0.3678(12) 0.3061(7) 0.1220(7) 0.180(8) Uiso 1 1 d . . .
O3 O 0.2609(11) 0.3054(6) 0.0903(6) 0.162(7) Uiso 1 1 d . . .
O4 O 0.3408(10) 0.2883(7) 0.0587(7) 0.169(7) Uiso 1 1 d . . .
O5 O 0.2432(12) 0.1046(7) 0.1516(7) 0.181(8) Uiso 1 1 d . . .
O6 O 0.3541(9) 0.1071(5) 0.1744(5) 0.137(6) Uiso 1 1 d . . .
O7 O 0.2972(10) 0.0450(7) 0.1621(6) 0.162(7) Uiso 1 1 d . . .
O8 O 0.3157(9) 0.0902(6) 0.1109(6) 0.157(7) Uiso 1 1 d . . .
O9 O 0.2661(10) 0.4822(7) 0.2194(7) 0.174(7) Uiso 1 1 d . . .
O10 O 0.1954(12) 0.4332(8) 0.2358(7) 0.189(8) Uiso 1 1 d . . .
O11 O 1.0662(12) 0.2510(6) 0.2046(7) 0.182(8) Uiso 1 1 d . . .
O12 O 0.9729(12) 0.2095(9) 0.2060(8) 0.217(10) Uiso 1 1 d . . .
O13 O 0.970(2) 0.2516(12) 0.1490(14) 0.335(19) Uiso 1 1 d . . .
O14 O 0.6823(17) 0.4014(12) 0.0378(15) 0.42(3) Uiso 1 1 d D . .
O15 O 0.8018(16) 0.4081(10) 0.0368(12) 0.330(18) Uiso 1 1 d D . .
O16 O 0.625(2) 0.6369(14) 0.0701(13) 0.331(19) Uiso 1 1 d . . .
O17 O 0.5113(19) 0.6213(11) 0.0553(11) 0.284(14) Uiso 1 1 d . . .
O18 O 0.5849(13) 0.5742(9) 0.0895(8) 0.222(10) Uiso 1 1 d . . .
O19 O 0.3365(12) 0.8711(9) 0.0525(8) 0.207(10) Uiso 1 1 d . . .
O20 O 0.3065(12) 0.9369(7) 0.0509(7) 0.178(8) Uiso 1 1 d . . .
O21 O 0.4126(14) 0.9204(8) 0.0684(8) 0.202(9) Uiso 1 1 d . . .
O22 O 0.6251(15) 0.9476(9) 0.1062(9) 0.242(11) Uiso 1 1 d . . .
O23 O 0.7158(14) 0.9593(8) 0.0669(9) 0.234(11) Uiso 1 1 d . . .
O24 O 0.7065(18) 1.0054(13) 0.1094(12) 0.306(16) Uiso 1 1 d . . .
O25 O 0.3646(9) 0.9128(5) 0.0074(6) 0.141(6) Uiso 1 1 d . . .
O26 O 0.739(2) 0.9399(16) 0.1378(16) 0.39(2) Uiso 1 1 d . . .
O27 O 0.7335(17) 0.4761(10) 0.0384(12) 0.337(19) Uiso 1 1 d D . .
O28 O 0.589(2) 0.5962(13) 0.0279(14) 0.344(19) Uiso 1 1 d . . .
O29 O 0.961(2) 0.2771(13) 0.2135(13) 0.322(17) Uiso 1 1 d . . .
O30 O 0.753(3) 0.4277(16) 0.0992(12) 0.61(5) Uiso 1 1 d D . .
Cl1 Cl 0.3018(3) 0.0863(2) 0.14906(17) 0.105(2) Uani 1 1 d . . .
Cl2 Cl 0.3247(4) 0.3141(2) 0.0873(2) 0.123(2) Uani 1 1 d . . .
Cl3 Cl 0.2500 0.4568(3) 0.2500 0.142(4) Uani 1 2 d S . .
Cl4 Cl 0.2500 0.2533(3) 0.2500 0.153(5) Uani 1 2 d S . .
Cl5 Cl 0.5763(6) 0.6137(3) 0.0716(3) 0.174(3) Uiso 1 1 d . . .
Cl6 Cl 0.3564(4) 0.9144(3) 0.04580(19) 0.122(2) Uani 1 1 d . . .
Cl7 Cl 0.6961(6) 0.9601(4) 0.1077(3) 0.193(4) Uiso 1 1 d . . .
Cl8 Cl 0.9964(6) 0.2498(4) 0.1918(4) 0.200(4) Uiso 1 1 d . . .
Cl9 Cl 0.7438(7) 0.4193(4) 0.0560(4) 0.256(5) Uiso 1 1 d . . .
Co1 Co 0.43865(13) 0.01738(8) 0.27567(7) 0.0750(9) Uani 1 1 d . . .
Co2 Co 0.15648(13) 0.15762(9) 0.02057(8) 0.0840(10) Uani 1 1 d . . .
Co3 Co 0.51686(13) 0.20038(8) 0.10203(7) 0.0722(9) Uani 1 1 d . . .
Co4 Co 0.47722(14) 0.45642(9) 0.19753(8) 0.0866(10) Uani 1 1 d . . .
Co5 Co 0.36410(14) 0.42474(9) 0.42877(8) 0.0852(10) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
C2 C1 H1A 108.9 . .
C2 C1 H1B 108.3 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 111.2 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C3 C2 C7 120.0 . .
C3 C2 C1 122(2) . .
C7 C2 C1 118(2) . .
C2 C3 C4 120.0 . .
C2 C3 H3 120.0 . .
C4 C3 H3 120.0 . .
C5 C4 C3 120.0 . .
C5 C4 H4 120.0 . .
C3 C4 H4 120.0 . .
N1 C5 C6 123.0(15) . .
N1 C5 C4 116.9(15) . .
C6 C5 C4 120.0 . .
C5 C6 C7 120.0 . .
C5 C6 H6 120.0 . .
C7 C6 H6 120.0 . .
C6 C7 C2 120.0 . .
C6 C7 H7 120.0 . .
C2 C7 H7 120.0 . .
N1 C8 C9 119.0(19) . .
N1 C8 H8 120.5 . .
C9 C8 H8 120.5 . .
N2 C9 C8 119.7(18) . .
N2 C9 C13 118.1(17) . .
C8 C9 C13 122.2(18) . .
N2 C10 C11 122.4(17) . .
N2 C10 H10 118.8 . .
C11 C10 H10 118.8 . .
C12 C11 C10 117.3(17) . .
C12 C11 C102 120.3(17) . 2
C10 C11 C102 122.3(17) . 2
C11 C12 C13 119.5(18) . .
C11 C12 H12 120.2 . .
C13 C12 H12 120.2 . .
C12 C13 C9 120.7(19) . .
C12 C13 H13 119.6 . .
C9 C13 H13 119.6 . .
C15 C14 H14A 109.5 . .
C15 C14 H14B 109.7 . .
H14A C14 H14B 109.5 . .
C15 C14 H14C 109.3 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
N3 C18 C19 119(2) . .
N3 C18 C17 121(2) . .
C19 C18 C17 120.0 . .
C18 C19 C20 120.0 . .
C18 C19 H19 120.0 . .
C20 C19 H19 120.0 . .
C15 C20 C19 120.0 . .
C15 C20 H20 120.0 . .
C19 C20 H20 120.0 . .
C16 C15 C20 120.0 . .
C16 C15 C14 118(2) . .
C20 C15 C14 122(2) . .
C15 C16 C17 120.0 . .
C15 C16 H16 120.0 . .
C17 C16 H16 120.0 . .
C16 C17 C18 120.0 . .
C16 C17 H17 120.0 . .
C18 C17 H17 120.0 . .
N3 C21 C22 123(2) . .
N3 C21 H21 118.5 . .
C22 C21 H21 118.5 . .
C26 C22 N4 119(2) . .
C26 C22 C21 129(2) . .
N4 C22 C21 112.5(19) . .
C24 C23 N4 122.7(18) . .
C24 C23 H23 118.7 . .
N4 C23 H23 118.7 . .
C23 C24 C25 120(2) . .
C23 C24 C24 121.3(13) . 2
C25 C24 C24 118.7(13) . 2
C26 C25 C24 115(2) . .
C26 C25 H25 122.6 . .
C24 C25 H25 122.6 . .
C22 C26 C25 124(2) . .
C22 C26 H26 117.9 . .
C25 C26 H26 117.9 . .
C28 C27 H27A 109.5 . .
C28 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C28 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C29 C28 C33 125(2) . .
C29 C28 C27 117.2(13) . .
C33 C28 C27 117.9(11) . .
C28 C29 C30 117(2) . .
C28 C29 H29 121.6 . .
C30 C29 H29 121.6 . .
C31 C30 C29 120.3(19) . .
C31 C30 H30 119.8 . .
C29 C30 H30 119.8 . .
C30 C31 C32 120.4(18) . .
C30 C31 N5 121.6(16) . .
C32 C31 N5 117.7(16) . .
C33 C32 C31 121.0(18) . .
C33 C32 H32 119.5 . .
C31 C32 H32 119.5 . .
C32 C33 C28 116.3(17) . .
C32 C33 H33 121.9 . .
C28 C33 H33 121.9 . .
N5 C34 C35 120.2(16) . .
N5 C34 H34 119.9 . .
C35 C34 H34 119.9 . .
N6 C35 C39 120.0 . .
N6 C35 C34 115.2(10) . .
C39 C35 C34 124.7(10) . .
C36 N6 C35 120.0 . .
C36 N6 Co1 127.2(6) . .
C35 N6 Co1 112.2(6) . .
N6 C36 C37 120.0 . .
N6 C36 H36 120.0 . .
C37 C36 H36 120.0 . .
C36 C37 C38 120.0 . .
C36 C37 C40 119.3(8) . .
C38 C37 C40 120.6(9) . .
C37 C38 C39 120.0 . .
C37 C38 H38 120.0 . .
C39 C38 H38 120.0 . .
C38 C39 C35 120.0 . .
C38 C39 H39 120.0 . .
C35 C39 H39 120.0 . .
C41 C40 C44 120.0 . .
C41 C40 C37 118.3(8) . .
C44 C40 C37 121.6(8) . .
C40 C41 N7 120.0 . .
C40 C41 H41 120.0 . .
N7 C41 H41 120.0 . .
C42 N7 C41 120.0 . .
C42 N7 Co3 110.8(5) . .
C41 N7 Co3 127.2(5) . .
C43 C42 N7 120.0 . .
C43 C42 C45 123.8(10) . .
N7 C42 C45 116.1(10) . .
C44 C43 C42 120.0 . .
C44 C43 H43 120.0 . .
C42 C43 H43 120.0 . .
C43 C44 C40 120.0 . .
C43 C44 H44 120.0 . .
C40 C44 H44 120.0 . .
N8 C45 C42 122.2(16) . .
N8 C45 H45 118.9 . .
C42 C45 H45 118.9 . .
C47 C46 C51 120.0 . .
C47 C46 N8 118.8(14) . .
C51 C46 N8 119.5(14) . .
C46 C47 C48 120.0 . .
C46 C47 H47 120.0 . .
C48 C47 H47 120.0 . .
C49 C48 C47 120.0 . .
C49 C48 H48 120.0 . .
C47 C48 H48 120.0 . .
C48 C49 C50 120.0 . .
C48 C49 C52 116(2) . .
C50 C49 C52 124(2) . .
C49 C50 C51 120.0 . .
C49 C50 H50 120.0 . .
C51 C50 H50 120.0 . .
C50 C51 C46 120.0 . .
C50 C51 H51 120.0 . .
C46 C51 H51 120.0 . .
C49 C52 H52A 109.5 . .
C49 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C49 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C54 C53 H53A 108.6 . .
C54 C53 H53B 109.2 . .
H53A C53 H53B 109.5 . .
C54 C53 H53C 110.7 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
C55 C54 C59 120.0 . .
C55 C54 C53 123.3(11) . .
C59 C54 C53 116.7(11) . .
C56 C55 C54 120.0 . .
C56 C55 H55 120.0 . .
C54 C55 H55 120.0 . .
C55 C56 C57 120.0 . .
C55 C56 H56 120.0 . .
C57 C56 H56 120.0 . .
C58 C57 C56 120.0 . .
C58 C57 N9 120(2) . .
C56 C57 N9 119(2) . .
C57 C58 C59 120.0 . .
C57 C58 H58 120.0 . .
C59 C58 H58 120.0 . .
C58 C59 C54 120.0 . .
C58 C59 H59 120.0 . .
C54 C59 H59 120.0 . .
N9 C60 C61 115(2) . .
N9 C60 H60 122.3 . .
C61 C60 H60 122.3 . .
C65 C61 N10 122(2) . .
C65 C61 C60 119(2) . .
N10 C61 C60 118.8(18) . .
N10 C62 C63 127.5(19) . .
N10 C62 H62 116.2 . .
C63 C62 H62 116.2 . .
C62 C63 C64 115(2) . .
C62 C63 C66 124.9(18) . .
C64 C63 C66 119.6(18) . .
C63 C64 C65 120(2) . .
C63 C64 H64 119.9 . .
C65 C64 H64 119.9 . .
C61 C65 C64 117(2) . .
C61 C65 H65 121.7 . .
C64 C65 H65 121.7 . .
C70 C66 C67 116(2) . .
C70 C66 C63 125.1(19) . .
C67 C66 C63 119.0(18) . .
N11 C67 C66 122(2) . .
N11 C67 H67 118.9 . .
C66 C67 H67 118.9 . .
N11 C68 C69 124(2) . .
N11 C68 C71 117.3(19) . .
C69 C68 C71 119(2) . .
C68 C69 C70 115(2) . .
C68 C69 H69 122.3 . .
C70 C69 H69 122.3 . .
C66 C70 C69 121(2) . .
C66 C70 H70 119.5 . .
C69 C70 H70 119.5 . .
N12 C71 C68 120(2) . .
N12 C71 H71 120.0 . .
C68 C71 H71 120.0 . .
C73 C72 C77 120.0 . .
C73 C72 N12 120(3) . .
C77 C72 N12 120(3) . .
C72 C73 C74 120.0 . .
C72 C73 H73 120.0 . .
C74 C73 H73 120.0 . .
C75 C74 C73 120.0 . .
C75 C74 H74 120.0 . .
C73 C74 H74 120.0 . .
C74 C75 C76 120.0 . .
C74 C75 C78 120.0 . .
C76 C75 C78 120.0 . .
C75 C76 C77 120.0 . .
C75 C76 H76 120.0 . .
C77 C76 H76 120.0 . .
C76 C77 C72 120.0 . .
C76 C77 H77 120.0 . .
C72 C77 H77 120.0 . .
C75 C78 H78A 104.8 . .
C75 C78 H78B 107.7 . .
H78A C78 H78B 109.5 . .
C75 C78 H78C 115.7 . .
H78A C78 H78C 109.5 . .
H78B C78 H78C 109.5 . .
C80 C79 H79A 109.5 . .
C80 C79 H79B 109.5 . .
H79A C79 H79B 109.5 . .
C80 C79 H79C 109.5 . .
H79A C79 H79C 109.5 . .
H79B C79 H79C 109.5 . .
C81 C80 C85 126(3) . .
C81 C80 C79 119(3) . .
C85 C80 C79 115(3) . .
C80 C81 C82 123(3) . .
C80 C81 H81 118.5 . .
C82 C81 H81 118.5 . .
C81 C82 C83 117(2) . .
C81 C82 H82 121.3 . .
C83 C82 H82 121.3 . .
C84 C83 N13 120(2) . .
C84 C83 C82 119(2) . .
N13 C83 C82 121(2) . .
C83 C84 C85 118(2) . .
C83 C84 H84 120.9 . .
C85 C84 H84 120.9 . .
C80 C85 C84 116(3) . .
C80 C85 H85 121.9 . .
C84 C85 H85 121.9 . .
N13 C86 C87 125(2) . .
N13 C86 H86 117.5 . .
C87 C86 H86 117.5 . .
N14 C87 C91 122(2) . .
N14 C87 C86 114.2(19) . .
C91 C87 C86 124(2) . .
N14 C88 C89 122(2) . .
N14 C88 H88 119.0 . .
C89 C88 H88 119.0 . .
C88 C89 C90 118(2) . .
C88 C89 C180 122(2) . 2
C90 C89 C180 120(2) . 2
C91 C90 C89 119(2) . .
C91 C90 H90 120.3 . .
C89 C90 H90 120.3 . .
C90 C91 C87 117(2) . .
C90 C91 H91 121.4 . .
C87 C91 H91 121.4 . .
C93 C92 H92A 109.5 . .
C93 C92 H92B 109.5 . .
H92A C92 H92B 109.5 . .
C93 C92 H92C 109.5 . .
H92A C92 H92C 109.5 . .
H92B C92 H92C 109.5 . .
C98 C93 C94 127(3) . .
C98 C93 C92 119(3) . .
C94 C93 C92 114(3) . .
C93 C94 C95 114(2) . .
C93 C94 H94 122.9 . .
C95 C94 H94 122.9 . .
C96 C95 C94 120(2) . .
C96 C95 H95 120.1 . .
C94 C95 H95 120.1 . .
C95 C96 C97 122(2) . .
C95 C96 N15 119(2) . .
C97 C96 N15 118(2) . .
C98 C97 C96 120(2) . .
C98 C97 H97 119.8 . .
C96 C97 H97 119.8 . .
C93 C98 C97 116(3) . .
C93 C98 H98 122.1 . .
C97 C98 H98 122.1 . .
N15 C99 C100 123.4(16) . .
N15 C99 H99 118.3 . .
C100 C99 H99 118.3 . .
C104 C100 N16 119.5(17) . .
C104 C100 C99 126.0(17) . .
N16 C100 C99 114.4(16) . .
N16 C101 C102 124.7(17) . .
N16 C101 H101 117.6 . .
C102 C101 H101 117.6 . .
C101 C102 C103 118.0(17) . .
C101 C102 C11 121.9(17) . 2
C103 C102 C11 119.8(17) . 2
C104 C103 C102 117.6(18) . .
C104 C103 H103 121.2 . .
C102 C103 H103 121.2 . .
C103 C104 C100 122.8(19) . .
C103 C104 H104 118.6 . .
C100 C104 H104 118.6 . .
C106 C105 H10A 109.5 . .
C106 C105 H10B 109.5 . .
H10A C105 H10B 109.5 . .
C106 C105 H10C 109.5 . .
H10A C105 H10C 109.5 . .
H10B C105 H10C 109.5 . .
C110 C106 C107 126(2) . .
C110 C106 C105 119(2) . .
C107 C106 C105 115(2) . .
C106 C107 C108 121(2) . .
C106 C107 H107 119.5 . .
C108 C107 H107 119.5 . .
C107 C108 C109 117(2) . .
C107 C108 H108 121.5 . .
C109 C108 H108 121.5 . .
N17 C109 C111 120.1(16) . .
N17 C109 C108 120.4(17) . .
C111 C109 C108 118.4(18) . .
C106 C110 C111 115(2) . .
C106 C110 H110 122.5 . .
C111 C110 H110 122.5 . .
C109 C111 C110 122.2(19) . .
C109 C111 H111 118.9 . .
C110 C111 H111 118.9 . .
N17 C112 C113 125(2) . .
N17 C112 H112 117.5 . .
C113 C112 H112 117.5 . .
C117 C113 C112 124(2) . .
C117 C113 N18 121.3(18) . .
C112 C113 N18 114.9(18) . .
N18 C114 C115 124(2) . .
N18 C114 H114 117.8 . .
C115 C114 H114 117.8 . .
C116 C115 C114 116.3(19) . .
C116 C115 C118 126.5(19) . .
C114 C115 C118 117.1(19) . .
C115 C116 C117 122(2) . .
C115 C116 H116 118.8 . .
C117 C116 H116 118.8 . .
C116 C117 C113 119(2) . .
C116 C117 H117 120.6 . .
C113 C117 H117 120.6 . .
C119 C118 C122 116.4(18) . .
C119 C118 C115 125.8(17) . .
C122 C118 C115 117.3(17) . .
N19 C119 C118 128.6(18) . .
N19 C119 H119 115.7 . .
C118 C119 H119 115.7 . .
C123 C120 C121 124.8(18) . .
C123 C120 N19 116.6(17) . .
C121 C120 N19 118.4(17) . .
C122 C121 C120 120(2) . .
C122 C121 H121 120.2 . .
C120 C121 H121 120.2 . .
C121 C122 C118 119.2(19) . .
C121 C122 H122 120.4 . .
C118 C122 H122 120.4 . .
N20 C123 C120 125.4(19) . .
N20 C123 H123 117.3 . .
C120 C123 H123 117.3 . .
C125 C124 C129 120.0 . .
C125 C124 N20 122.7(6) . .
C129 C124 N20 115.9(9) . .
C124 C125 C126 120.0 . .
C124 C125 H125 120.0 . .
C126 C125 H125 120.0 . .
C125 C126 C127 120.0 . .
C125 C126 H126 120.0 . .
C127 C126 H126 120.0 . .
C126 C127 C128 120.0 . .
C126 C127 C130 120(2) . .
C128 C127 C130 120(2) . .
C129 C128 C127 120.0 . .
C129 C128 H128 120.0 . .
C127 C128 H128 120.0 . .
C128 C129 C124 120.0 . .
C128 C129 H129 120.0 . .
C124 C129 H129 120.0 . .
C127 C130 H13A 109.5 . .
C127 C130 H13B 109.5 . .
H13A C130 H13B 109.5 . .
C127 C130 H13C 109.5 . .
H13A C130 H13C 109.5 . .
H13B C130 H13C 109.5 . .
C132 C131 H13D 109.5 . .
C132 C131 H13E 109.5 . .
H13D C131 H13E 109.5 . .
C132 C131 H13F 109.5 . .
H13D C131 H13F 109.5 . .
H13E C131 H13F 109.5 . .
C133 C132 C137 120.0 . .
C133 C132 C131 106(3) . .
C137 C132 C131 134(3) . .
C132 C133 C134 120.0 . .
C132 C133 H133 120.0 . .
C134 C133 H133 120.0 . .
C133 C134 C135 120.0 . .
C133 C134 H134 120.0 . .
C135 C134 H134 120.0 . .
C136 C135 C134 120.0 . .
C136 C135 N21 123(2) . .
C134 C135 N21 117(2) . .
C137 C136 C135 120.0 . .
C137 C136 H136 120.0 . .
C135 C136 H136 120.0 . .
C136 C137 C132 120.0 . .
C136 C137 H137 120.0 . .
C132 C137 H137 120.0 . .
N21 C138 C139 114(2) . .
N21 C138 H138 123.0 . .
C139 C138 H138 123.0 . .
N22 C139 C143 120(3) . .
N22 C139 C138 120(2) . .
C143 C139 C138 120(2) . .
N22 C140 C141 122(2) . .
N22 C140 H140 119.1 . .
C141 C140 H140 119.1 . .
C193 C141 C142 119(2) 2 .
C193 C141 C140 122(2) 2 .
C142 C141 C140 119(2) . .
C143 C142 C141 119(3) . .
C143 C142 H142 120.5 . .
C141 C142 H142 120.5 . .
C142 C143 C139 117(3) . .
C142 C143 H143 121.3 . .
C139 C143 H143 121.3 . .
C145 C144 H14D 109.5 . .
C145 C144 H14E 109.5 . .
H14D C144 H14E 109.5 . .
C145 C144 H14F 109.5 . .
H14D C144 H14F 109.5 . .
H14E C144 H14F 109.5 . .
C150 C145 C146 121(3) . .
C150 C145 C144 115(2) . .
C146 C145 C144 124(2) . .
C147 C146 C145 117(3) . .
C147 C146 H146 121.5 . .
C145 C146 H146 121.5 . .
C146 C147 C148 123(2) . .
C146 C147 H147 118.6 . .
C148 C147 H147 118.6 . .
C149 C148 C147 119(2) . .
C149 C148 N23 124(2) . .
C147 C148 N23 117.2(19) . .
C148 C149 C150 124(2) . .
C148 C149 H149 118.0 . .
C150 C149 H149 118.0 . .
C145 C150 C149 116(2) . .
C145 C150 H150 122.1 . .
C149 C150 H150 122.1 . .
N23 C151 C152 121(2) . .
N23 C151 H151 119.5 . .
C152 C151 H151 119.5 . .
N24 C152 C151 117.6(19) . .
N24 C152 C156 119(2) . .
C151 C152 C156 124(2) . .
C154 C153 N24 123.2(19) . .
C154 C153 H153 118.4 . .
N24 C153 H153 118.4 . .
C153 C154 C155 115(2) . .
C153 C154 C157 120.9(19) . .
C155 C154 C157 123.5(19) . .
C156 C155 C154 123(2) . .
C156 C155 H155 118.6 . .
C154 C155 H155 118.6 . .
C155 C156 C152 120(2) . .
C155 C156 H156 119.8 . .
C152 C156 H156 119.8 . .
C158 C157 C161 119(2) . .
C158 C157 C154 124.5(19) . .
C161 C157 C154 116.4(18) . .
N25 C158 C157 123.1(19) . .
N25 C158 H158 118.4 . .
C157 C158 H158 118.4 . .
C160 C159 N25 117.1(19) . .
C160 C159 C162 126(2) . .
N25 C159 C162 117.2(18) . .
C159 C160 C161 119(2) . .
C159 C160 H160 120.4 . .
C161 C160 H160 120.4 . .
C157 C161 C160 119(2) . .
C157 C161 H161 120.6 . .
C160 C161 H161 120.6 . .
N26 C162 C159 125(2) . .
N26 C162 H162 117.3 . .
C159 C162 H162 117.3 . .
C168 C163 C164 125(2) . .
C168 C163 N26 120(2) . .
C164 C163 N26 115(2) . .
C163 C164 C165 116(3) . .
C163 C164 H164 122.0 . .
C165 C164 H164 122.0 . .
C166 C165 C164 119(3) . .
C166 C165 H165 120.7 . .
C164 C165 H165 120.7 . .
C167 C166 C165 123(3) . .
C167 C166 C169 120(3) . .
C165 C166 C169 117(3) . .
C166 C167 C168 117(3) . .
C166 C167 H167 121.3 . .
C168 C167 H167 121.3 . .
C163 C168 C167 120(2) . .
C163 C168 H168 120.2 . .
C167 C168 H168 120.2 . .
C166 C169 H16A 109.5 . .
C166 C169 H16B 109.5 . .
H16A C169 H16B 109.5 . .
C166 C169 H16C 109.5 . .
H16A C169 H16C 109.5 . .
H16B C169 H16C 109.5 . .
C171 C170 H17A 109.5 . .
C171 C170 H17B 109.5 . .
H17A C170 H17B 109.5 . .
C171 C170 H17C 109.5 . .
H17A C170 H17C 109.5 . .
H17B C170 H17C 109.5 . .
C172 C171 C176 122(3) . .
C172 C171 C170 119(3) . .
C176 C171 C170 118(3) . .
C171 C172 C173 121(3) . .
C171 C172 H172 119.3 . .
C173 C172 H172 119.3 . .
C172 C173 C174 118(2) . .
C172 C173 H173 120.8 . .
C174 C173 H173 120.8 . .
C175 C174 N27 123.8(19) . .
C175 C174 C173 118(2) . .
N27 C174 C173 118.1(19) . .
C176 C175 C174 119(2) . .
C176 C175 H175 120.5 . .
C174 C175 H175 120.5 . .
C171 C176 C175 121(2) . .
C171 C176 H176 119.4 . .
C175 C176 H176 119.4 . .
N27 C177 C178 119(2) . .
N27 C177 H177 120.4 . .
C178 C177 H177 120.4 . .
N28 C178 C182 120.1(19) . .
N28 C178 C177 118.1(18) . .
C182 C178 C177 121.6(19) . .
N28 C179 C180 122(2) . .
N28 C179 H179 119.1 . .
C180 C179 H179 119.1 . .
C181 C180 C179 116(2) . .
C181 C180 C89 127(2) . 2
C179 C180 C89 117(2) . 2
C182 C181 C180 122(2) . .
C182 C181 H181 118.8 . .
C180 C181 H181 118.8 . .
C181 C182 C178 119(2) . .
C181 C182 H182 120.3 . .
C178 C182 H182 120.3 . .
C184 C183 H18A 109.5 . .
C184 C183 H18B 109.5 . .
H18A C183 H18B 109.5 . .
C184 C183 H18C 109.5 . .
H18A C183 H18C 109.5 . .
H18B C183 H18C 109.5 . .
C185 C184 C189 120.0 . .
C185 C184 C183 116.1(6) . .
C189 C184 C183 115.6(5) . .
C186 C185 C184 120.0 . .
C186 C185 H185 120.0 . .
C184 C185 H185 120.0 . .
C187 C186 C185 120.0 . .
C187 C186 H186 120.0 . .
C185 C186 H186 120.0 . .
C186 C187 C188 120.0 . .
C186 C187 N30 125.3(8) . .
C188 C187 N30 113.5(12) . .
C189 C188 C187 120.0 . .
C189 C188 H188 120.0 . .
C187 C188 H188 120.0 . .
C188 C189 C184 120.0 . .
C188 C189 H189 120.0 . .
C184 C189 H189 120.0 . .
N30 C190 C191 118(3) . .
N30 C190 H190 121.1 . .
C191 C190 H190 121.1 . .
N29 C191 C195 126(3) . .
N29 C191 C190 116(3) . .
C195 C191 C190 118(3) . .
N29 C192 C193 122(2) . .
N29 C192 H192 119.2 . .
C193 C192 H192 119.2 . .
C194 C193 C141 126(2) . 2
C194 C193 C192 116(3) . .
C141 C193 C192 118(2) 2 .
C193 C194 C195 124(3) . .
C193 C194 H194 117.9 . .
C195 C194 H194 117.9 . .
C191 C195 C194 115(3) . .
C191 C195 H195 122.6 . .
C194 C195 H195 122.6 . .
C8 N1 C5 121.4(18) . .
C8 N1 Co1 112.0(14) . .
C5 N1 Co1 124.5(13) . .
C9 N2 C10 121.7(16) . .
C9 N2 Co1 110.3(12) . .
C10 N2 Co1 126.6(12) . .
C21 N3 C18 116(3) . .
C21 N3 Co1 110.6(17) . .
C18 N3 Co1 132(2) . .
C23 N4 C22 119.1(17) . .
C23 N4 Co1 126.7(13) . .
C22 N4 Co1 114.1(14) . .
C34 N5 C31 121.5(15) . .
C34 N5 Co1 112.4(11) . .
C31 N5 Co1 122.6(11) . .
C45 N8 C46 122.6(15) . .
C45 N8 Co3 111.0(12) . .
C46 N8 Co3 123.1(11) . .
C60 N9 C57 116(2) . .
C60 N9 Co3 116.1(15) . .
C57 N9 Co3 127.7(16) . .
C62 N10 C61 118.4(17) . .
C62 N10 Co3 129.9(13) . .
C61 N10 Co3 111.6(14) . .
C67 N11 C68 121.3(19) . .
C67 N11 Co2 126.1(14) . .
C68 N11 Co2 112.5(14) . .
C71 N12 C72 119(2) . .
C71 N12 Co2 112.9(19) . .
C72 N12 Co2 127.2(19) . .
C86 N13 C83 121.5(19) . .
C86 N13 Co2 109.6(15) . .
C83 N13 Co2 127.5(14) . .
C88 N14 C87 121.3(19) . .
C88 N14 Co2 126.5(16) . .
C87 N14 Co2 110.1(13) . .
C99 N15 C96 125.6(16) . .
C99 N15 Co2 109.0(12) . .
C96 N15 Co2 122.0(12) . .
C101 N16 C100 116.8(15) . .
C101 N16 Co2 130.4(12) . .
C100 N16 Co2 112.7(11) . .
C112 N17 C109 126.6(17) . .
C112 N17 Co3 108.1(14) . .
C109 N17 Co3 124.1(12) . .
C114 N18 C113 116.7(16) . .
C114 N18 Co3 130.5(14) . .
C113 N18 Co3 111.4(12) . .
C119 N19 C120 117.7(15) . .
C119 N19 Co4 133.8(13) . .
C120 N19 Co4 107.7(12) . .
C123 N20 C124 124.8(13) . .
C123 N20 Co4 110.2(14) . .
C124 N20 Co4 123.1(10) . .
C138 N21 C135 107(2) . .
C138 N21 Co4 114.6(17) . .
C135 N21 Co4 137.9(15) . .
C140 N22 C139 123(2) . .
C140 N22 Co4 127.9(15) . .
C139 N22 Co4 109.5(17) . .
C151 N23 C148 124.1(18) . .
C151 N23 Co4 110.4(14) . .
C148 N23 Co4 124.2(13) . .
C152 N24 C153 119.3(17) . .
C152 N24 Co4 111.7(14) . .
C153 N24 Co4 129.0(14) . .
C158 N25 C159 122.7(18) . .
C158 N25 Co5 128.1(15) . .
C159 N25 Co5 107.1(13) . .
C162 N26 C163 123.3(19) . .
C162 N26 Co5 109.2(15) . .
C163 N26 Co5 126.7(13) . .
C177 N27 C174 121.6(17) . .
C177 N27 Co5 112.4(14) . .
C174 N27 Co5 125.5(11) . .
C178 N28 C179 120.5(17) . .
C178 N28 Co5 112.9(13) . .
C179 N28 Co5 126.3(14) . .
C192 N29 C191 115(2) . .
C192 N29 Co5 128.8(15) . .
C191 N29 Co5 114.6(18) . .
C190 N30 C187 124(3) . .
C190 N30 Co5 111(2) . .
C187 N30 Co5 124.0(18) . .
O7 Cl1 O8 115.2(12) . .
O7 Cl1 O5 105.2(13) . .
O8 Cl1 O5 108.7(13) . .
O7 Cl1 O6 107.3(12) . .
O8 Cl1 O6 106.6(11) . .
O5 Cl1 O6 114.0(13) . .
O4 Cl2 O1 110.8(13) . .
O4 Cl2 O3 106.0(13) . .
O1 Cl2 O3 110.8(13) . .
O4 Cl2 O2 107.8(13) . .
O1 Cl2 O2 105.5(14) . .
O3 Cl2 O2 115.9(14) . .
O9 Cl3 O9 110.8(18) 2 .
O9 Cl3 O10 106.6(13) 2 .
O9 Cl3 O10 107.7(14) . .
O9 Cl3 O10 107.7(14) 2 2
O9 Cl3 O10 106.6(13) . 2
O10 Cl3 O10 118(2) . 2
O16 Cl5 O18 117(3) . .
O16 Cl5 O17 130(3) . .
O18 Cl5 O17 113(2) . .
O16 Cl5 O28 86(2) . .
O18 Cl5 O28 94.9(19) . .
O17 Cl5 O28 87(2) . .
O20 Cl6 O25 110.8(14) . .
O20 Cl6 O21 121.9(16) . .
O25 Cl6 O21 110.6(14) . .
O20 Cl6 O19 102.6(15) . .
O25 Cl6 O19 101.4(13) . .
O21 Cl6 O19 107.1(16) . .
O24 Cl7 O26 109(3) . .
O24 Cl7 O23 89.7(19) . .
O26 Cl7 O23 116(2) . .
O24 Cl7 O22 113(2) . .
O26 Cl7 O22 117(2) . .
O23 Cl7 O22 110.0(18) . .
O29 Cl8 O12 96(2) . .
O29 Cl8 O11 114(2) . .
O12 Cl8 O11 107.0(16) . .
O29 Cl8 O13 109(3) . .
O12 Cl8 O13 105(2) . .
O11 Cl8 O13 122(2) . .
O14 Cl9 O30 119(2) . .
O14 Cl9 O15 117(2) . .
O30 Cl9 O15 117(2) . .
O14 Cl9 O27 98.7(18) . .
O30 Cl9 O27 98.8(17) . .
O15 Cl9 O27 98.3(17) . .
N4 Co1 N6 92.2(5) . .
N4 Co1 N2 96.8(5) . .
N6 Co1 N2 167.0(5) . .
N4 Co1 N5 97.8(6) . .
N6 Co1 N5 76.7(5) . .
N2 Co1 N5 92.8(5) . .
N4 Co1 N3 77.9(7) . .
N6 Co1 N3 95.8(4) . .
N2 Co1 N3 95.3(5) . .
N5 Co1 N3 171.3(5) . .
N4 Co1 N1 173.5(6) . .
N6 Co1 N1 94.1(5) . .
N2 Co1 N1 76.7(6) . .
N5 Co1 N1 82.1(6) . .
N3 Co1 N1 103.1(7) . .
N11 Co2 N16 89.7(6) . .
N11 Co2 N12 76.8(8) . .
N16 Co2 N12 101.6(6) . .
N11 Co2 N14 97.1(6) . .
N16 Co2 N14 167.8(6) . .
N12 Co2 N14 89.9(7) . .
N11 Co2 N13 175.2(6) . .
N16 Co2 N13 95.1(6) . .
N12 Co2 N13 101.8(7) . .
N14 Co2 N13 78.3(6) . .
N11 Co2 N15 97.5(6) . .
N16 Co2 N15 77.6(5) . .
N12 Co2 N15 174.3(7) . .
N14 Co2 N15 91.4(6) . .
N13 Co2 N15 83.9(6) . .
N10 Co3 N18 89.0(5) . .
N10 Co3 N7 98.1(5) . .
N18 Co3 N7 169.7(5) . .
N10 Co3 N9 78.0(6) . .
N18 Co3 N9 98.8(6) . .
N7 Co3 N9 89.9(5) . .
N10 Co3 N8 174.0(5) . .
N18 Co3 N8 96.7(5) . .
N7 Co3 N8 76.0(5) . .
N9 Co3 N8 102.9(6) . .
N10 Co3 N17 97.3(6) . .
N18 Co3 N17 77.9(6) . .
N7 Co3 N17 93.9(5) . .
N9 Co3 N17 174.4(6) . .
N8 Co3 N17 82.1(5) . .
N24 Co4 N21 99.5(7) . .
N24 Co4 N22 91.6(6) . .
N21 Co4 N22 80.9(7) . .
N24 Co4 N20 96.7(6) . .
N21 Co4 N20 98.9(7) . .
N22 Co4 N20 171.6(6) . .
N24 Co4 N19 170.1(6) . .
N21 Co4 N19 90.1(6) . .
N22 Co4 N19 92.4(6) . .
N20 Co4 N19 79.2(6) . .
N24 Co4 N23 77.8(7) . .
N21 Co4 N23 176.3(6) . .
N22 Co4 N23 96.5(6) . .
N20 Co4 N23 84.0(6) . .
N19 Co4 N23 92.7(6) . .
N28 Co5 N29 93.0(6) . .
N28 Co5 N30 91.6(5) . .
N29 Co5 N30 78.4(8) . .
N28 Co5 N27 76.3(6) . .
N29 Co5 N27 96.8(7) . .
N30 Co5 N27 166.8(5) . .
N28 Co5 N25 167.0(6) . .
N29 Co5 N25 94.3(6) . .
N30 Co5 N25 100.4(5) . .
N27 Co5 N25 92.1(6) . .
N28 Co5 N26 93.6(6) . .
N29 Co5 N26 172.7(6) . .
N30 Co5 N26 104.6(8) . .
N27 Co5 N26 81.6(6) . .
N25 Co5 N26 78.6(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.61(5) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 C3 1.3900 .
C2 C7 1.3900 .
C3 C4 1.3900 .
C3 H3 0.9500 .
C4 C5 1.3900 .
C4 H4 0.9500 .
C5 N1 1.360(19) .
C5 C6 1.3900 .
C6 C7 1.3900 .
C6 H6 0.9500 .
C7 H7 0.9500 .
C8 N1 1.24(2) .
C8 C9 1.44(2) .
C8 H8 0.9500 .
C9 N2 1.33(2) .
C9 C13 1.45(3) .
C10 N2 1.370(19) .
C10 C11 1.41(2) .
C10 H10 0.9500 .
C11 C12 1.39(2) .
C11 C102 1.42(2) 2
C12 C13 1.40(2) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 C15 1.79(5) .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C18 N3 1.29(3) .
C18 C19 1.3900 .
C18 C17 1.3900 .
C19 C20 1.3900 .
C19 H19 0.9500 .
C20 C15 1.3900 .
C20 H20 0.9500 .
C15 C16 1.3900 .
C16 C17 1.3900 .
C16 H16 0.9500 .
C17 H17 0.9500 .
C21 N3 1.23(2) .
C21 C22 1.47(3) .
C21 H21 0.9500 .
C22 C26 1.33(3) .
C22 N4 1.40(2) .
C23 C24 1.33(2) .
C23 N4 1.36(2) .
C23 H23 0.9500 .
C24 C25 1.45(3) .
C24 C24 1.51(4) 2
C25 C26 1.40(3) .
C25 H25 0.9500 .
C26 H26 0.9500 .
C27 C28 1.54(3) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 C29 1.33(2) .
C28 C33 1.42(2) .
C29 C30 1.44(3) .
C29 H29 0.9500 .
C30 C31 1.35(2) .
C30 H30 0.9500 .
C31 C32 1.40(2) .
C31 N5 1.47(2) .
C32 C33 1.37(2) .
C32 H32 0.9500 .
C33 H33 0.9500 .
C34 N5 1.258(18) .
C34 C35 1.416(17) .
C34 H34 0.9500 .
C35 N6 1.3900 .
C35 C39 1.3900 .
N6 C36 1.3900 .
N6 Co1 2.106(8) .
C36 C37 1.3900 .
C36 H36 0.9500 .
C37 C38 1.3900 .
C37 C40 1.451(11) .
C38 C39 1.3900 .
C38 H38 0.9500 .
C39 H39 0.9500 .
C40 C41 1.3900 .
C40 C44 1.3900 .
C41 N7 1.3900 .
C41 H41 0.9500 .
N7 C42 1.3900 .
N7 Co3 2.138(8) .
C42 C43 1.3900 .
C42 C45 1.412(18) .
C43 C44 1.3900 .
C43 H43 0.9500 .
C44 H44 0.9500 .
C45 N8 1.216(18) .
C45 H45 0.9500 .
C46 C47 1.3900 .
C46 C51 1.3900 .
C46 N8 1.422(18) .
C47 C48 1.3900 .
C47 H47 0.9500 .
C48 C49 1.3900 .
C48 H48 0.9500 .
C49 C50 1.3900 .
C49 C52 1.74(4) .
C50 C51 1.3900 .
C50 H50 0.9500 .
C51 H51 0.9500 .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
C53 C54 1.558(9) .
C53 H53A 0.9600 .
C53 H53B 0.9600 .
C53 H53C 0.9600 .
C54 C55 1.3900 .
C54 C59 1.3900 .
C55 C56 1.3900 .
C55 H55 0.9500 .
C56 C57 1.3900 .
C56 H56 0.9500 .
C57 C58 1.3900 .
C57 N9 1.525(12) .
C58 C59 1.3900 .
C58 H58 0.9500 .
C59 H59 0.9500 .
C60 N9 1.28(2) .
C60 C61 1.48(3) .
C60 H60 0.9500 .
C61 C65 1.35(2) .
C61 N10 1.39(2) .
C62 N10 1.24(2) .
C62 C63 1.37(2) .
C62 H62 0.9500 .
C63 C64 1.38(3) .
C63 C66 1.49(3) .
C64 C65 1.44(3) .
C64 H64 0.9500 .
C65 H65 0.9500 .
C66 C70 1.37(2) .
C66 C67 1.43(3) .
C67 N11 1.27(2) .
C67 H67 0.9500 .
C68 N11 1.33(2) .
C68 C69 1.34(3) .
C68 C71 1.42(3) .
C69 C70 1.45(3) .
C69 H69 0.9500 .
C70 H70 0.9500 .
C71 N12 1.27(3) .
C71 H71 0.9500 .
C72 C73 1.3900 .
C72 C77 1.3900 .
C72 N12 1.41(3) .
C73 C74 1.3900 .
C73 H73 0.9500 .
C74 C75 1.3900 .
C74 H74 0.9500 .
C75 C76 1.3900 .
C75 C78 1.581(7) .
C76 C77 1.3900 .
C76 H76 0.9500 .
C77 H77 0.9500 .
C78 H78A 0.9600 .
C78 H78B 0.9600 .
C78 H78C 0.9600 .
C79 C80 1.63(4) .
C79 H79A 0.9800 .
C79 H79B 0.9800 .
C79 H79C 0.9800 .
C80 C81 1.28(3) .
C80 C85 1.34(3) .
C81 C82 1.33(3) .
C81 H81 0.9500 .
C82 C83 1.48(3) .
C82 H82 0.9500 .
C83 C84 1.36(3) .
C83 N13 1.39(2) .
C84 C85 1.48(3) .
C84 H84 0.9500 .
C85 H85 0.9500 .
C86 N13 1.24(2) .
C86 C87 1.47(3) .
C86 H86 0.9500 .
C87 N14 1.39(3) .
C87 C91 1.39(3) .
C88 N14 1.27(2) .
C88 C89 1.37(3) .
C88 H88 0.9500 .
C89 C90 1.49(3) .
C89 C180 1.51(3) 2
C90 C91 1.35(3) .
C90 H90 0.9500 .
C91 H91 0.9500 .
C92 C93 1.61(4) .
C92 H92A 0.9800 .
C92 H92B 0.9800 .
C92 H92C 0.9800 .
C93 C98 1.38(3) .
C93 C94 1.41(3) .
C94 C95 1.43(3) .
C94 H94 0.9500 .
C95 C96 1.36(3) .
C95 H95 0.9500 .
C96 C97 1.40(3) .
C96 N15 1.43(2) .
C97 C98 1.38(3) .
C97 H97 0.9500 .
C98 H98 0.9500 .
C99 N15 1.277(18) .
C99 C100 1.45(2) .
C99 H99 0.9500 .
C100 C104 1.35(2) .
C100 N16 1.39(2) .
C101 N16 1.319(19) .
C101 C102 1.35(2) .
C101 H101 0.9500 .
C102 C103 1.39(2) .
C102 C11 1.42(2) 2
C103 C104 1.34(2) .
C103 H103 0.9500 .
C104 H104 0.9500 .
C105 C106 1.68(3) .
C105 H10A 0.9800 .
C105 H10B 0.9800 .
C105 H10C 0.9800 .
C106 C110 1.31(3) .
C106 C107 1.37(3) .
C107 C108 1.38(3) .
C107 H107 0.9500 .
C108 C109 1.44(3) .
C108 H108 0.9500 .
C109 N17 1.38(2) .
C109 C111 1.40(2) .
C110 C111 1.44(2) .
C110 H110 0.9500 .
C111 H111 0.9500 .
C112 N17 1.29(2) .
C112 C113 1.40(2) .
C112 H112 0.9500 .
C113 C117 1.37(2) .
C113 N18 1.42(2) .
C114 N18 1.30(2) .
C114 C115 1.44(2) .
C114 H114 0.9500 .
C115 C116 1.35(3) .
C115 C118 1.45(2) .
C116 C117 1.37(2) .
C116 H116 0.9500 .
C117 H117 0.9500 .
C118 C119 1.34(2) .
C118 C122 1.44(2) .
C119 N19 1.261(19) .
C119 H119 0.9500 .
C120 C123 1.37(2) .
C120 C121 1.43(3) .
C120 N19 1.43(2) .
C121 C122 1.37(2) .
C121 H121 0.9500 .
C122 H122 0.9500 .
C123 N20 1.248(19) .
C123 H123 0.9500 .
C124 C125 1.3900 .
C124 C129 1.3900 .
C124 N20 1.50(3) .
C125 C126 1.3900 .
C125 H125 0.9500 .
C126 C127 1.3900 .
C126 H126 0.9500 .
C127 C128 1.3900 .
C127 C130 1.61(4) .
C128 C129 1.3900 .
C128 H128 0.9500 .
C129 H129 0.9500 .
C130 H13A 0.9800 .
C130 H13B 0.9800 .
C130 H13C 0.9800 .
C131 C132 1.59(4) .
C131 H13D 0.9800 .
C131 H13E 0.9800 .
C131 H13F 0.9800 .
C132 C133 1.3900 .
C132 C137 1.3900 .
C133 C134 1.3900 .
C133 H133 0.9500 .
C134 C135 1.3900 .
C134 H134 0.9500 .
C135 C136 1.3900 .
C135 N21 1.46(2) .
C136 C137 1.3900 .
C136 H136 0.9500 .
C137 H137 0.9500 .
C138 N21 1.32(3) .
C138 C139 1.54(3) .
C138 H138 0.9500 .
C139 N22 1.36(3) .
C139 C143 1.50(3) .
C140 N22 1.27(2) .
C140 C141 1.44(3) .
C140 H140 0.9500 .
C141 C193 1.40(3) 2
C141 C142 1.43(3) .
C142 C143 1.37(3) .
C142 H142 0.9500 .
C143 H143 0.9500 .
C144 C145 1.51(4) .
C144 H14D 0.9800 .
C144 H14E 0.9800 .
C144 H14F 0.9800 .
C145 C150 1.41(3) .
C145 C146 1.44(3) .
C146 C147 1.33(3) .
C146 H146 0.9500 .
C147 C148 1.41(3) .
C147 H147 0.9500 .
C148 C149 1.30(2) .
C148 N23 1.44(3) .
C149 C150 1.41(3) .
C149 H149 0.9500 .
C150 H150 0.9500 .
C151 N23 1.27(2) .
C151 C152 1.41(3) .
C151 H151 0.9500 .
C152 N24 1.37(2) .
C152 C156 1.42(3) .
C153 C154 1.39(2) .
C153 N24 1.40(2) .
C153 H153 0.9500 .
C154 C155 1.41(3) .
C154 C157 1.43(3) .
C155 C156 1.35(3) .
C155 H155 0.9500 .
C156 H156 0.9500 .
C157 C158 1.35(2) .
C157 C161 1.37(2) .
C158 N25 1.28(2) .
C158 H158 0.9500 .
C159 C160 1.38(2) .
C159 N25 1.39(2) .
C159 C162 1.44(3) .
C160 C161 1.44(3) .
C160 H160 0.9500 .
C161 H161 0.9500 .
C162 N26 1.19(2) .
C162 H162 0.9500 .
C163 C168 1.32(3) .
C163 C164 1.36(3) .
C163 N26 1.47(3) .
C164 C165 1.45(4) .
C164 H164 0.9500 .
C165 C166 1.38(3) .
C165 H165 0.9500 .
C166 C167 1.36(3) .
C166 C169 1.56(5) .
C167 C168 1.43(3) .
C167 H167 0.9500 .
C168 H168 0.9500 .
C169 H16A 0.9800 .
C169 H16B 0.9800 .
C169 H16C 0.9800 .
C170 C171 1.58(4) .
C170 H17A 0.9800 .
C170 H17B 0.9800 .
C170 H17C 0.9800 .
C171 C172 1.31(3) .
C171 C176 1.34(3) .
C172 C173 1.34(3) .
C172 H172 0.9500 .
C173 C174 1.46(3) .
C173 H173 0.9500 .
C174 C175 1.38(3) .
C174 N27 1.44(2) .
C175 C176 1.35(2) .
C175 H175 0.9500 .
C176 H176 0.9500 .
C177 N27 1.24(2) .
C177 C178 1.42(2) .
C177 H177 0.9500 .
C178 N28 1.31(2) .
C178 C182 1.36(2) .
C179 N28 1.34(2) .
C179 C180 1.39(3) .
C179 H179 0.9500 .
C180 C181 1.36(3) .
C180 C89 1.51(3) 2
C181 C182 1.35(3) .
C181 H181 0.9500 .
C182 H182 0.9500 .
C183 C184 1.81(3) .
C183 H18A 0.9800 .
C183 H18B 0.9800 .
C183 H18C 0.9800 .
C184 C185 1.3900 .
C184 C189 1.3900 .
C185 C186 1.3900 .
C185 H185 0.9500 .
C186 C187 1.3900 .
C186 H186 0.9500 .
C187 C188 1.3900 .
C187 N30 1.44(3) .
C188 C189 1.3900 .
C188 H188 0.9500 .
C189 H189 0.9500 .
C190 N30 1.35(3) .
C190 C191 1.50(4) .
C190 H190 0.9500 .
C191 N29 1.31(3) .
C191 C195 1.34(3) .
C192 N29 1.30(2) .
C192 C193 1.47(3) .
C192 H192 0.9500 .
C193 C194 1.29(3) .
C193 C141 1.40(3) 2
C194 C195 1.36(3) .
C194 H194 0.9500 .
C195 H195 0.9500 .
N1 Co1 2.206(16) .
N2 Co1 2.146(14) .
N3 Co1 2.20(2) .
N4 Co1 2.092(15) .
N5 Co1 2.161(14) .
N8 Co3 2.217(14) .
N9 Co3 2.161(16) .
N10 Co3 2.121(15) .
N11 Co2 2.138(16) .
N12 Co2 2.15(2) .
N13 Co2 2.192(17) .
N14 Co2 2.184(16) .
N15 Co2 2.226(14) .
N16 Co2 2.152(15) .
N17 Co3 2.236(15) .
N18 Co3 2.130(15) .
N19 Co4 2.157(15) .
N20 Co4 2.153(15) .
N21 Co4 2.129(18) .
N22 Co4 2.134(16) .
N23 Co4 2.204(17) .
N24 Co4 2.108(17) .
N25 Co5 2.178(16) .
N26 Co5 2.206(16) .
N27 Co5 2.175(15) .
N28 Co5 2.101(15) .
N29 Co5 2.133(17) .
N30 Co5 2.15(2) .
O1 Cl2 1.39(2) .
O2 Cl2 1.44(3) .
O3 Cl2 1.41(2) .
O4 Cl2 1.35(2) .
O5 Cl1 1.39(2) .
O6 Cl1 1.486(19) .
O7 Cl1 1.37(2) .
O8 Cl1 1.39(2) .
O9 Cl3 1.39(2) .
O10 Cl3 1.42(2) .
O11 Cl8 1.51(2) .
O12 Cl8 1.46(2) .
O13 Cl8 1.52(5) .
O14 Cl9 1.50(4) .
O15 Cl9 1.52(3) .
O16 Cl5 1.27(4) .
O17 Cl5 1.46(4) .
O18 Cl5 1.38(3) .
O19 Cl6 1.44(3) .
O20 Cl6 1.31(2) .
O21 Cl6 1.37(3) .
O22 Cl7 1.57(3) .
O23 Cl7 1.52(3) .
O24 Cl7 1.43(4) .
O25 Cl6 1.355(19) .
O26 Cl7 1.44(5) .
O27 Cl9 1.88(4) .
O28 Cl5 1.65(4) .
O29 Cl8 1.42(4) .
O30 Cl9 1.50(4) .
Cl3 O9 1.39(2) 2
Cl3 O10 1.42(2) 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
C7 C2 C3 C4 0.0 . . . .
C1 C2 C3 C4 -179.9(3) . . . .
C2 C3 C4 C5 0.0 . . . .
C3 C4 C5 N1 177.0(16) . . . .
C3 C4 C5 C6 0.0 . . . .
N1 C5 C6 C7 -176.8(17) . . . .
C4 C5 C6 C7 0.0 . . . .
C5 C6 C7 C2 0.0 . . . .
C3 C2 C7 C6 0.0 . . . .
C1 C2 C7 C6 179.9(3) . . . .
N1 C8 C9 N2 0(3) . . . .
N1 C8 C9 C13 176(2) . . . .
N2 C10 C11 C12 4(3) . . . .
N2 C10 C11 C102 -176.9(18) . . . 2
C10 C11 C12 C13 -4(3) . . . .
C102 C11 C12 C13 177.1(18) 2 . . .
C11 C12 C13 C9 4(3) . . . .
N2 C9 C13 C12 -3(3) . . . .
C8 C9 C13 C12 -179.3(19) . . . .
N3 C18 C19 C20 179(2) . . . .
C17 C18 C19 C20 0.0 . . . .
C18 C19 C20 C15 0.0 . . . .
C19 C20 C15 C16 0.0 . . . .
C19 C20 C15 C14 178(2) . . . .
C20 C15 C16 C17 0.0 . . . .
C14 C15 C16 C17 -178(2) . . . .
C15 C16 C17 C18 0.0 . . . .
N3 C18 C17 C16 -179(2) . . . .
C19 C18 C17 C16 0.0 . . . .
N3 C21 C22 C26 -173(2) . . . .
N3 C21 C22 N4 10(3) . . . .
N4 C23 C24 C25 1(3) . . . .
N4 C23 C24 C24 -177.8(19) . . . 2
C23 C24 C25 C26 -1(3) . . . .
C24 C24 C25 C26 178(2) 2 . . .
N4 C22 C26 C25 -8(3) . . . .
C21 C22 C26 C25 175(2) . . . .
C24 C25 C26 C22 5(3) . . . .
C33 C28 C29 C30 5(3) . . . .
C27 C28 C29 C30 179.8(14) . . . .
C28 C29 C30 C31 0(3) . . . .
C29 C30 C31 C32 -6(3) . . . .
C29 C30 C31 N5 -179.9(18) . . . .
C30 C31 C32 C33 7(3) . . . .
N5 C31 C32 C33 -178.9(17) . . . .
C31 C32 C33 C28 -2(3) . . . .
C29 C28 C33 C32 -4(3) . . . .
C27 C28 C33 C32 -178.9(13) . . . .
N5 C34 C35 N6 3.0(19) . . . .
N5 C34 C35 C39 -173.6(12) . . . .
C39 C35 N6 C36 0.0 . . . .
C34 C35 N6 C36 -176.8(12) . . . .
C39 C35 N6 Co1 -172.0(7) . . . .
C34 C35 N6 Co1 11.2(10) . . . .
C35 N6 C36 C37 0.0 . . . .
Co1 N6 C36 C37 170.7(8) . . . .
N6 C36 C37 C38 0.0 . . . .
N6 C36 C37 C40 177.8(11) . . . .
C36 C37 C38 C39 0.0 . . . .
C40 C37 C38 C39 -177.8(11) . . . .
C37 C38 C39 C35 0.0 . . . .
N6 C35 C39 C38 0.0 . . . .
C34 C35 C39 C38 176.4(13) . . . .
C36 C37 C40 C41 -44.3(11) . . . .
C38 C37 C40 C41 133.5(7) . . . .
C36 C37 C40 C44 137.1(8) . . . .
C38 C37 C40 C44 -45.1(12) . . . .
C44 C40 C41 N7 0.0 . . . .
C37 C40 C41 N7 -178.6(12) . . . .
C40 C41 N7 C42 0.0 . . . .
C40 C41 N7 Co3 162.8(8) . . . .
C41 N7 C42 C43 0.0 . . . .
Co3 N7 C42 C43 -165.4(7) . . . .
C41 N7 C42 C45 177.4(12) . . . .
Co3 N7 C42 C45 12.1(11) . . . .
N7 C42 C43 C44 0.0 . . . .
C45 C42 C43 C44 -177.2(14) . . . .
C42 C43 C44 C40 0.0 . . . .
C41 C40 C44 C43 0.0 . . . .
C37 C40 C44 C43 178.6(12) . . . .
C43 C42 C45 N8 -178.9(14) . . . .
N7 C42 C45 N8 4(2) . . . .
C51 C46 C47 C48 0.0 . . . .
N8 C46 C47 C48 -165.2(13) . . . .
C46 C47 C48 C49 0.0 . . . .
C47 C48 C49 C50 0.0 . . . .
C47 C48 C49 C52 180.0(2) . . . .
C48 C49 C50 C51 0.0 . . . .
C52 C49 C50 C51 -180.0(2) . . . .
C49 C50 C51 C46 0.0 . . . .
C47 C46 C51 C50 0.0 . . . .
N8 C46 C51 C50 165.1(13) . . . .
C59 C54 C55 C56 0.0 . . . .
C53 C54 C55 C56 180.00(9) . . . .
C54 C55 C56 C57 0.0 . . . .
C55 C56 C57 C58 0.0 . . . .
C55 C56 C57 N9 165.1(19) . . . .
C56 C57 C58 C59 0.0 . . . .
N9 C57 C58 C59 -165(2) . . . .
C57 C58 C59 C54 0.0 . . . .
C55 C54 C59 C58 0.0 . . . .
C53 C54 C59 C58 180.00(8) . . . .
N9 C60 C61 C65 -177.9(18) . . . .
N9 C60 C61 N10 1(3) . . . .
N10 C62 C63 C64 3(3) . . . .
N10 C62 C63 C66 177.7(18) . . . .
C62 C63 C64 C65 -1(3) . . . .
C66 C63 C64 C65 -176.5(17) . . . .
N10 C61 C65 C64 -3(3) . . . .
C60 C61 C65 C64 176.1(18) . . . .
C63 C64 C65 C61 2(3) . . . .
C62 C63 C66 C70 -153.8(19) . . . .
C64 C63 C66 C70 21(3) . . . .
C62 C63 C66 C67 22(3) . . . .
C64 C63 C66 C67 -162.9(18) . . . .
C70 C66 C67 N11 -7(3) . . . .
C63 C66 C67 N11 176.6(17) . . . .
N11 C68 C69 C70 3(3) . . . .
C71 C68 C69 C70 177.4(18) . . . .
C67 C66 C70 C69 6(3) . . . .
C63 C66 C70 C69 -178.0(18) . . . .
C68 C69 C70 C66 -4(3) . . . .
N11 C68 C71 N12 0(3) . . . .
C69 C68 C71 N12 -175(2) . . . .
C77 C72 C73 C74 0.0 . . . .
N12 C72 C73 C74 172(2) . . . .
C72 C73 C74 C75 0.0 . . . .
C73 C74 C75 C76 0.0 . . . .
C73 C74 C75 C78 180.0 . . . .
C74 C75 C76 C77 0.0 . . . .
C78 C75 C76 C77 180.0 . . . .
C75 C76 C77 C72 0.0 . . . .
C73 C72 C77 C76 0.0 . . . .
N12 C72 C77 C76 -172(2) . . . .
C85 C80 C81 C82 -3(5) . . . .
C79 C80 C81 C82 -177(3) . . . .
C80 C81 C82 C83 2(4) . . . .
C81 C82 C83 C84 -3(4) . . . .
C81 C82 C83 N13 -178(2) . . . .
N13 C83 C84 C85 180(2) . . . .
C82 C83 C84 C85 6(3) . . . .
C81 C80 C85 C84 5(4) . . . .
C79 C80 C85 C84 179(2) . . . .
C83 C84 C85 C80 -6(4) . . . .
N13 C86 C87 N14 1(3) . . . .
N13 C86 C87 C91 -179(2) . . . .
N14 C88 C89 C90 -4(3) . . . .
N14 C88 C89 C180 -177(2) . . . 2
C88 C89 C90 C91 2(4) . . . .
C180 C89 C90 C91 176(2) 2 . . .
C89 C90 C91 C87 -2(4) . . . .
N14 C87 C91 C90 3(3) . . . .
C86 C87 C91 C90 -178(2) . . . .
C98 C93 C94 C95 -6(4) . . . .
C92 C93 C94 C95 173(2) . . . .
C93 C94 C95 C96 7(3) . . . .
C94 C95 C96 C97 -7(3) . . . .
C94 C95 C96 N15 174.2(19) . . . .
C95 C96 C97 C98 5(4) . . . .
N15 C96 C97 C98 -176(2) . . . .
C94 C93 C98 C97 4(4) . . . .
C92 C93 C98 C97 -175(2) . . . .
C96 C97 C98 C93 -3(4) . . . .
N15 C99 C100 C104 -175.2(18) . . . .
N15 C99 C100 N16 8(3) . . . .
N16 C101 C102 C103 -3(3) . . . .
N16 C101 C102 C11 -176.8(18) . . . 2
C101 C102 C103 C104 8(3) . . . .
C11 C102 C103 C104 -178.7(18) 2 . . .
C102 C103 C104 C100 -5(3) . . . .
N16 C100 C104 C103 -2(3) . . . .
C99 C100 C104 C103 -179.5(19) . . . .
C110 C106 C107 C108 -2(4) . . . .
C105 C106 C107 C108 178(2) . . . .
C106 C107 C108 C109 -3(3) . . . .
C107 C108 C109 N17 174(2) . . . .
C107 C108 C109 C111 6(3) . . . .
C107 C106 C110 C111 2(4) . . . .
C105 C106 C110 C111 -177(2) . . . .
N17 C109 C111 C110 -174.2(18) . . . .
C108 C109 C111 C110 -6(3) . . . .
C106 C110 C111 C109 2(3) . . . .
N17 C112 C113 C117 176.4(19) . . . .
N17 C112 C113 N18 -4(3) . . . .
N18 C114 C115 C116 -3(3) . . . .
N18 C114 C115 C118 -178.9(18) . . . .
C114 C115 C116 C117 3(3) . . . .
C118 C115 C116 C117 178.1(19) . . . .
C115 C116 C117 C113 0(3) . . . .
C112 C113 C117 C116 176.4(19) . . . .
N18 C113 C117 C116 -3(3) . . . .
C116 C115 C118 C119 131(2) . . . .
C114 C115 C118 C119 -54(3) . . . .
C116 C115 C118 C122 -41(3) . . . .
C114 C115 C118 C122 134.0(19) . . . .
C122 C118 C119 N19 -4(3) . . . .
C115 C118 C119 N19 -176(2) . . . .
C123 C120 C121 C122 -179(2) . . . .
N19 C120 C121 C122 -4(3) . . . .
C120 C121 C122 C118 1(3) . . . .
C119 C118 C122 C121 3(3) . . . .
C115 C118 C122 C121 176(2) . . . .
C121 C120 C123 N20 172(2) . . . .
N19 C120 C123 N20 -3(3) . . . .
C129 C124 C125 C126 0.0 . . . .
N20 C124 C125 C126 -166(2) . . . .
C124 C125 C126 C127 0.0 . . . .
C125 C126 C127 C128 0.0 . . . .
C125 C126 C127 C130 180.0(3) . . . .
C126 C127 C128 C129 0.0 . . . .
C130 C127 C128 C129 -180.0(3) . . . .
C127 C128 C129 C124 0.0 . . . .
C125 C124 C129 C128 0.0 . . . .
N20 C124 C129 C128 166.5(18) . . . .
C137 C132 C133 C134 0.0 . . . .
C131 C132 C133 C134 180.00(7) . . . .
C132 C133 C134 C135 0.0 . . . .
C133 C134 C135 C136 0.0 . . . .
C133 C134 C135 N21 -174.2(15) . . . .
C134 C135 C136 C137 0.0 . . . .
N21 C135 C136 C137 173.9(16) . . . .
C135 C136 C137 C132 0.0 . . . .
C133 C132 C137 C136 0.0 . . . .
C131 C132 C137 C136 180.00(10) . . . .
N21 C138 C139 N22 1(3) . . . .
N21 C138 C139 C143 -176.6(19) . . . .
N22 C140 C141 C193 176.2(19) . . . 2
N22 C140 C141 C142 -8(3) . . . .
C193 C141 C142 C143 -176(2) 2 . . .
C140 C141 C142 C143 8(3) . . . .
C141 C142 C143 C139 -5(3) . . . .
N22 C139 C143 C142 0(3) . . . .
C138 C139 C143 C142 178(2) . . . .
C150 C145 C146 C147 -3(4) . . . .
C144 C145 C146 C147 176(3) . . . .
C145 C146 C147 C148 4(4) . . . .
C146 C147 C148 C149 -4(4) . . . .
C146 C147 C148 N23 176(2) . . . .
C147 C148 C149 C150 2(4) . . . .
N23 C148 C149 C150 -178(2) . . . .
C146 C145 C150 C149 1(4) . . . .
C144 C145 C150 C149 -178(2) . . . .
C148 C149 C150 C145 -1(4) . . . .
N23 C151 C152 N24 2(3) . . . .
N23 C151 C152 C156 -176.4(19) . . . .
N24 C153 C154 C155 5(3) . . . .
N24 C153 C154 C157 178.0(19) . . . .
C153 C154 C155 C156 -1(3) . . . .
C157 C154 C155 C156 -174(2) . . . .
C154 C155 C156 C152 0(4) . . . .
N24 C152 C156 C155 -1(3) . . . .
C151 C152 C156 C155 177(2) . . . .
C153 C154 C157 C158 -39(3) . . . .
C155 C154 C157 C158 134(2) . . . .
C153 C154 C157 C161 136(2) . . . .
C155 C154 C157 C161 -51(3) . . . .
C161 C157 C158 N25 4(3) . . . .
C154 C157 C158 N25 179(2) . . . .
N25 C159 C160 C161 -1(3) . . . .
C162 C159 C160 C161 -176(2) . . . .
C158 C157 C161 C160 -2(3) . . . .
C154 C157 C161 C160 -176.9(19) . . . .
C159 C160 C161 C157 0(3) . . . .
C160 C159 C162 N26 172(2) . . . .
N25 C159 C162 N26 -4(3) . . . .
C168 C163 C164 C165 7(4) . . . .
N26 C163 C164 C165 -177(2) . . . .
C163 C164 C165 C166 -5(4) . . . .
C164 C165 C166 C167 3(5) . . . .
C164 C165 C166 C169 -178(3) . . . .
C165 C166 C167 C168 -2(4) . . . .
C169 C166 C167 C168 179(3) . . . .
C164 C163 C168 C167 -6(4) . . . .
N26 C163 C168 C167 178(2) . . . .
C166 C167 C168 C163 3(4) . . . .
C176 C171 C172 C173 0.0(4) . . . .
C170 C171 C172 C173 180.0(3) . . . .
C171 C172 C173 C174 0.1(6) . . . .
C172 C173 C174 C175 -0.2(8) . . . .
C172 C173 C174 N27 172.8(13) . . . .
N27 C174 C175 C176 -172.4(14) . . . .
C173 C174 C175 C176 0.1(8) . . . .
C172 C171 C176 C175 -0.1(6) . . . .
C170 C171 C176 C175 180.0(4) . . . .
C174 C175 C176 C171 0.0(8) . . . .
N27 C177 C178 N28 3(3) . . . .
N27 C177 C178 C182 177(2) . . . .
N28 C179 C180 C181 0(3) . . . .
N28 C179 C180 C89 -178(2) . . . 2
C179 C180 C181 C182 2(3) . . . .
C89 C180 C181 C182 179(2) 2 . . .
C180 C181 C182 C178 0(4) . . . .
N28 C178 C182 C181 -4(3) . . . .
C177 C178 C182 C181 -179(2) . . . .
C189 C184 C185 C186 0.0 . . . .
C183 C184 C185 C186 -146.9(17) . . . .
C184 C185 C186 C187 0.0 . . . .
C185 C186 C187 C188 0.0 . . . .
C185 C186 C187 N30 -167(2) . . . .
C186 C187 C188 C189 0.0 . . . .
N30 C187 C188 C189 168.1(19) . . . .
C187 C188 C189 C184 0.0 . . . .
C185 C184 C189 C188 0.0 . . . .
C183 C184 C189 C188 147.1(17) . . . .
N30 C190 C191 N29 13(3) . . . .
N30 C190 C191 C195 -175(2) . . . .
N29 C192 C193 C194 6(3) . . . .
N29 C192 C193 C141 -178.2(19) . . . 2
C141 C193 C194 C195 -176(2) 2 . . .
C192 C193 C194 C195 0(3) . . . .
N29 C191 C195 C194 -16(4) . . . .
C190 C191 C195 C194 172(2) . . . .
C193 C194 C195 C191 5(4) . . . .
C9 C8 N1 C5 -175.3(17) . . . .
C9 C8 N1 Co1 -11(2) . . . .
C6 C5 N1 C8 -146.8(17) . . . .
C4 C5 N1 C8 36(2) . . . .
C6 C5 N1 Co1 51(2) . . . .
C4 C5 N1 Co1 -125.6(12) . . . .
C8 C9 N2 C10 179.5(17) . . . .
C13 C9 N2 C10 3(3) . . . .
C8 C9 N2 Co1 12(2) . . . .
C13 C9 N2 Co1 -164.4(14) . . . .
C11 C10 N2 C9 -4(3) . . . .
C11 C10 N2 Co1 161.5(14) . . . .
C22 C21 N3 C18 174.4(14) . . . .
C22 C21 N3 Co1 -16(2) . . . .
C19 C18 N3 C21 140.8(19) . . . .
C17 C18 N3 C21 -40(2) . . . .
C19 C18 N3 Co1 -26(2) . . . .
C17 C18 N3 Co1 153.1(12) . . . .
C24 C23 N4 C22 -5(2) . . . .
C24 C23 N4 Co1 179.5(13) . . . .
C26 C22 N4 C23 8(3) . . . .
C21 C22 N4 C23 -174.5(15) . . . .
C26 C22 N4 Co1 -175.7(15) . . . .
C21 C22 N4 Co1 1.7(19) . . . .
C35 C34 N5 C31 -174.5(14) . . . .
C35 C34 N5 Co1 -15.2(19) . . . .
C30 C31 N5 C34 34(3) . . . .
C32 C31 N5 C34 -139.8(18) . . . .
C30 C31 N5 Co1 -123.1(17) . . . .
C32 C31 N5 Co1 63(2) . . . .
C42 C45 N8 C46 -177.1(15) . . . .
C42 C45 N8 Co3 -17(2) . . . .
C47 C46 N8 C45 -155.0(16) . . . .
C51 C46 N8 C45 40(2) . . . .
C47 C46 N8 Co3 47.2(16) . . . .
C51 C46 N8 Co3 -118.1(12) . . . .
C61 C60 N9 C57 175.9(18) . . . .
C61 C60 N9 Co3 -5(2) . . . .
C58 C57 N9 C60 141(2) . . . .
C56 C57 N9 C60 -24(2) . . . .
C58 C57 N9 Co3 -39(2) . . . .
C56 C57 N9 Co3 156.2(13) . . . .
C63 C62 N10 C61 -4(3) . . . .
C63 C62 N10 Co3 179.0(13) . . . .
C65 C61 N10 C62 4(3) . . . .
C60 C61 N10 C62 -174.9(17) . . . .
C65 C61 N10 Co3 -178.2(15) . . . .
C60 C61 N10 Co3 3(2) . . . .
C66 C67 N11 C68 6(3) . . . .
C66 C67 N11 Co2 -179.0(13) . . . .
C69 C68 N11 C67 -4(3) . . . .
C71 C68 N11 C67 -178.7(18) . . . .
C69 C68 N11 Co2 -179.6(16) . . . .
C71 C68 N11 Co2 6(2) . . . .
C68 C71 N12 C72 -177(2) . . . .
C68 C71 N12 Co2 -6(3) . . . .
C73 C72 N12 C71 121(2) . . . .
C77 C72 N12 C71 -67(3) . . . .
C73 C72 N12 Co2 -50(2) . . . .
C77 C72 N12 Co2 122.7(18) . . . .
C87 C86 N13 C83 180(2) . . . .
C87 C86 N13 Co2 -13(3) . . . .
C84 C83 N13 C86 41(3) . . . .
C82 C83 N13 C86 -144(2) . . . .
C84 C83 N13 Co2 -123.4(19) . . . .
C82 C83 N13 Co2 51(3) . . . .
C89 C88 N14 C87 5(3) . . . .
C89 C88 N14 Co2 166.7(16) . . . .
C91 C87 N14 C88 -4(3) . . . .
C86 C87 N14 C88 176.7(19) . . . .
C91 C87 N14 Co2 -168.8(17) . . . .
C86 C87 N14 Co2 12(2) . . . .
C100 C99 N15 C96 -176.3(19) . . . .
C100 C99 N15 Co2 -17(2) . . . .
C95 C96 N15 C99 41(3) . . . .
C97 C96 N15 C99 -138(2) . . . .
C95 C96 N15 Co2 -116.2(19) . . . .
C97 C96 N15 Co2 65(2) . . . .
C102 C101 N16 C100 -4(3) . . . .
C102 C101 N16 Co2 172.9(14) . . . .
C104 C100 N16 C101 7(3) . . . .
C99 C100 N16 C101 -175.8(15) . . . .
C104 C100 N16 Co2 -170.5(14) . . . .
C99 C100 N16 Co2 6.8(19) . . . .
C113 C112 N17 C109 -176.6(18) . . . .
C113 C112 N17 Co3 -9(2) . . . .
C111 C109 N17 C112 -141(2) . . . .
C108 C109 N17 C112 51(3) . . . .
C111 C109 N17 Co3 53(2) . . . .
C108 C109 N17 Co3 -114.7(18) . . . .
C115 C114 N18 C113 0(3) . . . .
C115 C114 N18 Co3 165.6(14) . . . .
C117 C113 N18 C114 3(3) . . . .
C112 C113 N18 C114 -176.7(17) . . . .
C117 C113 N18 Co3 -165.1(14) . . . .
C112 C113 N18 Co3 15(2) . . . .
C118 C119 N19 C120 0(3) . . . .
C118 C119 N19 Co4 168.3(15) . . . .
C123 C120 N19 C119 179.4(18) . . . .
C121 C120 N19 C119 4(3) . . . .
C123 C120 N19 Co4 8(2) . . . .
C121 C120 N19 Co4 -167.2(15) . . . .
C120 C123 N20 C124 -168(2) . . . .
C120 C123 N20 Co4 -4(3) . . . .
C125 C124 N20 C123 35(3) . . . .
C129 C124 N20 C123 -130.9(17) . . . .
C125 C124 N20 Co4 -127.3(11) . . . .
C129 C124 N20 Co4 66.6(18) . . . .
C139 C138 N21 C135 -179.4(18) . . . .
C139 C138 N21 Co4 -6(2) . . . .
C136 C135 N21 C138 37(2) . . . .
C134 C135 N21 C138 -148.7(16) . . . .
C136 C135 N21 Co4 -134.2(18) . . . .
C134 C135 N21 Co4 40(2) . . . .
C141 C140 N22 C139 3(3) . . . .
C141 C140 N22 Co4 -178.5(13) . . . .
C143 C139 N22 C140 0(3) . . . .
C138 C139 N22 C140 -177.0(19) . . . .
C143 C139 N22 Co4 -178.1(16) . . . .
C138 C139 N22 Co4 5(3) . . . .
C152 C151 N23 C148 -176.8(19) . . . .
C152 C151 N23 Co4 -10(2) . . . .
C149 C148 N23 C151 -138(2) . . . .
C147 C148 N23 C151 42(3) . . . .
C149 C148 N23 Co4 56(3) . . . .
C147 C148 N23 Co4 -123.1(17) . . . .
C151 C152 N24 C153 -174.4(18) . . . .
C156 C152 N24 C153 4(3) . . . .
C151 C152 N24 Co4 7(2) . . . .
C156 C152 N24 Co4 -174.3(15) . . . .
C154 C153 N24 C152 -6(3) . . . .
C154 C153 N24 Co4 171.7(14) . . . .
C157 C158 N25 C159 -5(3) . . . .
C157 C158 N25 Co5 156.6(15) . . . .
C160 C159 N25 C158 3(3) . . . .
C162 C159 N25 C158 178.6(18) . . . .
C160 C159 N25 Co5 -161.9(15) . . . .
C162 C159 N25 Co5 14(2) . . . .
C159 C162 N26 C163 -179.3(19) . . . .
C159 C162 N26 Co5 -9(3) . . . .
C168 C163 N26 C162 -146(2) . . . .
C164 C163 N26 C162 38(3) . . . .
C168 C163 N26 Co5 46(3) . . . .
C164 C163 N26 Co5 -130.6(19) . . . .
C178 C177 N27 C174 178.3(18) . . . .
C178 C177 N27 Co5 -10(2) . . . .
C175 C174 N27 C177 -138.1(17) . . . .
C173 C174 N27 C177 49(2) . . . .
C175 C174 N27 Co5 51.4(19) . . . .
C173 C174 N27 Co5 -121.1(12) . . . .
C182 C178 N28 C179 6(3) . . . .
C177 C178 N28 C179 -179.6(19) . . . .
C182 C178 N28 Co5 -168.3(16) . . . .
C177 C178 N28 Co5 6(2) . . . .
C180 C179 N28 C178 -4(3) . . . .
C180 C179 N28 Co5 169.6(16) . . . .
C193 C192 N29 C191 -15(3) . . . .
C193 C192 N29 Co5 179.3(14) . . . .
C195 C191 N29 C192 21(3) . . . .
C190 C191 N29 C192 -167(2) . . . .
C195 C191 N29 Co5 -171(2) . . . .
C190 C191 N29 Co5 1(3) . . . .
C191 C190 N30 C187 173.7(17) . . . .
C191 C190 N30 Co5 -19(3) . . . .
C186 C187 N30 C190 111(2) . . . .
C188 C187 N30 C190 -55.9(17) . . . .
C186 C187 N30 Co5 -54(2) . . . .
C188 C187 N30 Co5 138.5(9) . . . .
C23 N4 Co1 N6 73.6(13) . . . .
C22 N4 Co1 N6 -102.3(12) . . . .
C23 N4 Co1 N2 -97.1(13) . . . .
C22 N4 Co1 N2 87.1(12) . . . .
C23 N4 Co1 N5 -3.3(14) . . . .
C22 N4 Co1 N5 -179.1(11) . . . .
C23 N4 Co1 N3 169.0(12) . . . .
C22 N4 Co1 N3 -6.9(12) . . . .
C23 N4 Co1 N1 -92(6) . . . .
C22 N4 Co1 N1 93(6) . . . .
C36 N6 Co1 N4 77.3(8) . . . .
C35 N6 Co1 N4 -111.4(7) . . . .
C36 N6 Co1 N2 -149(2) . . . .
C35 N6 Co1 N2 22(3) . . . .
C36 N6 Co1 N5 174.8(8) . . . .
C35 N6 Co1 N5 -13.9(6) . . . .
C36 N6 Co1 N3 -0.8(9) . . . .
C35 N6 Co1 N3 170.5(7) . . . .
C36 N6 Co1 N1 -104.4(8) . . . .
C35 N6 Co1 N1 66.9(7) . . . .
C9 N2 Co1 N4 166.6(13) . . . .
C10 N2 Co1 N4 -0.1(15) . . . .
C9 N2 Co1 N6 33(3) . . . .
C10 N2 Co1 N6 -134(2) . . . .
C9 N2 Co1 N5 68.4(13) . . . .
C10 N2 Co1 N5 -98.3(14) . . . .
C9 N2 Co1 N3 -114.9(14) . . . .
C10 N2 Co1 N3 78.3(15) . . . .
C9 N2 Co1 N1 -12.7(13) . . . .
C10 N2 Co1 N1 -179.5(15) . . . .
C34 N5 Co1 N4 106.2(12) . . . .
C31 N5 Co1 N4 -94.8(12) . . . .
C34 N5 Co1 N6 15.8(11) . . . .
C31 N5 Co1 N6 174.9(13) . . . .
C34 N5 Co1 N2 -156.5(12) . . . .
C31 N5 Co1 N2 2.5(13) . . . .
C34 N5 Co1 N3 46(5) . . . .
C31 N5 Co1 N3 -155(4) . . . .
C34 N5 Co1 N1 -80.4(12) . . . .
C31 N5 Co1 N1 78.7(13) . . . .
C21 N3 Co1 N4 12.0(14) . . . .
C18 N3 Co1 N4 179.5(7) . . . .
C21 N3 Co1 N6 103.0(13) . . . .
C18 N3 Co1 N6 -89.5(8) . . . .
C21 N3 Co1 N2 -83.9(13) . . . .
C18 N3 Co1 N2 83.6(9) . . . .
C21 N3 Co1 N5 73(4) . . . .
C18 N3 Co1 N5 -119(4) . . . .
C21 N3 Co1 N1 -161.4(13) . . . .
C18 N3 Co1 N1 6.1(10) . . . .
C8 N1 Co1 N4 8(7) . . . .
C5 N1 Co1 N4 171(5) . . . .
C8 N1 Co1 N6 -157.5(15) . . . .
C5 N1 Co1 N6 5.9(15) . . . .
C8 N1 Co1 N2 13.2(14) . . . .
C5 N1 Co1 N2 176.6(16) . . . .
C8 N1 Co1 N5 -81.6(15) . . . .
C5 N1 Co1 N5 81.8(15) . . . .
C8 N1 Co1 N3 105.6(15) . . . .
C5 N1 Co1 N3 -91.0(15) . . . .
C67 N11 Co2 N16 76.4(16) . . . .
C68 N11 Co2 N16 -108.3(13) . . . .
C67 N11 Co2 N12 178.3(17) . . . .
C68 N11 Co2 N12 -6.4(12) . . . .
C67 N11 Co2 N14 -93.5(16) . . . .
C68 N11 Co2 N14 81.8(13) . . . .
C67 N11 Co2 N13 -108(7) . . . .
C68 N11 Co2 N13 67(8) . . . .
C67 N11 Co2 N15 -1.1(17) . . . .
C68 N11 Co2 N15 174.2(12) . . . .
C101 N16 Co2 N11 73.9(16) . . . .
C100 N16 Co2 N11 -109.1(13) . . . .
C101 N16 Co2 N12 -2.5(18) . . . .
C100 N16 Co2 N12 174.4(13) . . . .
C101 N16 Co2 N14 -162(3) . . . .
C100 N16 Co2 N14 15(4) . . . .
C101 N16 Co2 N13 -105.7(16) . . . .
C100 N16 Co2 N13 71.3(13) . . . .
C101 N16 Co2 N15 171.7(17) . . . .
C100 N16 Co2 N15 -11.3(12) . . . .
C71 N12 Co2 N11 6.4(16) . . . .
C72 N12 Co2 N11 177(2) . . . .
C71 N12 Co2 N16 93.3(17) . . . .
C72 N12 Co2 N16 -96(2) . . . .
C71 N12 Co2 N14 -91.0(17) . . . .
C72 N12 Co2 N14 80(2) . . . .
C71 N12 Co2 N13 -169.0(16) . . . .
C72 N12 Co2 N13 2(2) . . . .
C71 N12 Co2 N15 12(8) . . . .
C72 N12 Co2 N15 -177(100) . . . .
C88 N14 Co2 N11 3.8(18) . . . .
C87 N14 Co2 N11 167.6(14) . . . .
C88 N14 Co2 N16 -120(3) . . . .
C87 N14 Co2 N16 44(4) . . . .
C88 N14 Co2 N12 80.5(18) . . . .
C87 N14 Co2 N12 -115.7(15) . . . .
C88 N14 Co2 N13 -177.5(18) . . . .
C87 N14 Co2 N13 -13.7(13) . . . .
C88 N14 Co2 N15 -94.0(18) . . . .
C87 N14 Co2 N15 69.8(14) . . . .
C86 N13 Co2 N11 29(8) . . . .
C83 N13 Co2 N11 -165(7) . . . .
C86 N13 Co2 N16 -155.7(14) . . . .
C83 N13 Co2 N16 10.6(17) . . . .
C86 N13 Co2 N12 101.3(14) . . . .
C83 N13 Co2 N12 -92.4(17) . . . .
C86 N13 Co2 N14 13.9(14) . . . .
C83 N13 Co2 N14 -179.8(18) . . . .
C86 N13 Co2 N15 -78.8(14) . . . .
C83 N13 Co2 N15 87.5(17) . . . .
C99 N15 Co2 N11 102.7(12) . . . .
C96 N15 Co2 N11 -97.0(15) . . . .
C99 N15 Co2 N16 14.7(11) . . . .
C96 N15 Co2 N16 175.0(16) . . . .
C99 N15 Co2 N12 97(7) . . . .
C96 N15 Co2 N12 -102(7) . . . .
C99 N15 Co2 N14 -160.0(12) . . . .
C96 N15 Co2 N14 0.3(16) . . . .
C99 N15 Co2 N13 -81.9(12) . . . .
C96 N15 Co2 N13 78.4(16) . . . .
C62 N10 Co3 N18 74.3(16) . . . .
C61 N10 Co3 N18 -102.9(12) . . . .
C62 N10 Co3 N7 -98.3(16) . . . .
C61 N10 Co3 N7 84.5(12) . . . .
C62 N10 Co3 N9 173.5(17) . . . .
C61 N10 Co3 N9 -3.6(12) . . . .
C62 N10 Co3 N8 -87(6) . . . .
C61 N10 Co3 N8 96(6) . . . .
C62 N10 Co3 N17 -3.3(16) . . . .
C61 N10 Co3 N17 179.5(12) . . . .
C114 N18 Co3 N10 81.7(17) . . . .
C113 N18 Co3 N10 -112.4(13) . . . .
C114 N18 Co3 N7 -144(3) . . . .
C113 N18 Co3 N7 22(4) . . . .
C114 N18 Co3 N9 4.0(17) . . . .
C113 N18 Co3 N9 169.8(12) . . . .
C114 N18 Co3 N8 -100.2(17) . . . .
C113 N18 Co3 N8 65.6(13) . . . .
C114 N18 Co3 N17 179.4(17) . . . .
C113 N18 Co3 N17 -14.8(12) . . . .
C42 N7 Co3 N10 164.0(7) . . . .
C41 N7 Co3 N10 0.0(8) . . . .
C42 N7 Co3 N18 30(3) . . . .
C41 N7 Co3 N18 -134(3) . . . .
C42 N7 Co3 N9 -118.1(7) . . . .
C41 N7 Co3 N9 77.9(8) . . . .
C42 N7 Co3 N8 -14.8(6) . . . .
C41 N7 Co3 N8 -178.8(8) . . . .
C42 N7 Co3 N17 66.1(6) . . . .
C41 N7 Co3 N17 -97.9(7) . . . .
C60 N9 Co3 N10 4.7(14) . . . .
C57 N9 Co3 N10 -175.8(18) . . . .
C60 N9 Co3 N18 91.8(15) . . . .
C57 N9 Co3 N18 -88.7(17) . . . .
C60 N9 Co3 N7 -93.7(14) . . . .
C57 N9 Co3 N7 85.9(17) . . . .
C60 N9 Co3 N8 -169.3(14) . . . .
C57 N9 Co3 N8 10.3(18) . . . .
C60 N9 Co3 N17 38(6) . . . .
C57 N9 Co3 N17 -142(5) . . . .
C45 N8 Co3 N10 6(6) . . . .
C46 N8 Co3 N10 166(5) . . . .
C45 N8 Co3 N18 -155.5(13) . . . .
C46 N8 Co3 N18 4.5(14) . . . .
C45 N8 Co3 N7 17.2(12) . . . .
C46 N8 Co3 N7 177.2(14) . . . .
C45 N8 Co3 N9 103.8(13) . . . .
C46 N8 Co3 N9 -96.2(14) . . . .
C45 N8 Co3 N17 -78.8(13) . . . .
C46 N8 Co3 N17 81.2(14) . . . .
C112 N17 Co3 N10 100.0(13) . . . .
C109 N17 Co3 N10 -91.8(14) . . . .
C112 N17 Co3 N18 12.5(12) . . . .
C109 N17 Co3 N18 -179.2(14) . . . .
C112 N17 Co3 N7 -161.3(12) . . . .
C109 N17 Co3 N7 6.9(14) . . . .
C112 N17 Co3 N9 67(6) . . . .
C109 N17 Co3 N9 -125(6) . . . .
C112 N17 Co3 N8 -86.1(13) . . . .
C109 N17 Co3 N8 82.2(14) . . . .
C152 N24 Co4 N21 173.6(15) . . . .
C153 N24 Co4 N21 -4.5(18) . . . .
C152 N24 Co4 N22 -105.3(15) . . . .
C153 N24 Co4 N22 76.6(17) . . . .
C152 N24 Co4 N20 73.4(15) . . . .
C153 N24 Co4 N20 -104.6(17) . . . .
C152 N24 Co4 N19 9(5) . . . .
C153 N24 Co4 N19 -169(3) . . . .
C152 N24 Co4 N23 -9.0(14) . . . .
C153 N24 Co4 N23 173.0(18) . . . .
C138 N21 Co4 N24 96.6(16) . . . .
C135 N21 Co4 N24 -92(2) . . . .
C138 N21 Co4 N22 6.5(15) . . . .
C135 N21 Co4 N22 177(2) . . . .
C138 N21 Co4 N20 -165.1(15) . . . .
C135 N21 Co4 N20 6(2) . . . .
C138 N21 Co4 N19 -86.0(16) . . . .
C135 N21 Co4 N19 85(2) . . . .
C138 N21 Co4 N23 54(11) . . . .
C135 N21 Co4 N23 -135(10) . . . .
C140 N22 Co4 N24 76.7(17) . . . .
C139 N22 Co4 N24 -105.0(15) . . . .
C140 N22 Co4 N21 176.0(17) . . . .
C139 N22 Co4 N21 -5.6(14) . . . .
C140 N22 Co4 N20 -95(5) . . . .
C139 N22 Co4 N20 84(5) . . . .
C140 N22 Co4 N19 -94.3(17) . . . .
C139 N22 Co4 N19 84.1(15) . . . .
C140 N22 Co4 N23 -1.3(17) . . . .
C139 N22 Co4 N23 177.1(14) . . . .
C123 N20 Co4 N24 -164.5(13) . . . .
C124 N20 Co4 N24 0.2(13) . . . .
C123 N20 Co4 N21 94.8(14) . . . .
C124 N20 Co4 N21 -100.5(13) . . . .
C123 N20 Co4 N22 7(5) . . . .
C124 N20 Co4 N22 172(4) . . . .
C123 N20 Co4 N19 6.3(13) . . . .
C124 N20 Co4 N19 171.1(13) . . . .
C123 N20 Co4 N23 -87.6(14) . . . .
C124 N20 Co4 N23 77.2(13) . . . .
C119 N19 Co4 N24 -110(4) . . . .
C120 N19 Co4 N24 59(4) . . . .
C119 N19 Co4 N21 84.4(18) . . . .
C120 N19 Co4 N21 -106.6(13) . . . .
C119 N19 Co4 N22 3.4(18) . . . .
C120 N19 Co4 N22 172.5(12) . . . .
C119 N19 Co4 N20 -176.6(18) . . . .
C120 N19 Co4 N20 -7.6(12) . . . .
C119 N19 Co4 N23 -93.2(18) . . . .
C120 N19 Co4 N23 75.8(12) . . . .
C151 N23 Co4 N24 10.0(13) . . . .
C148 N23 Co4 N24 177.2(16) . . . .
C151 N23 Co4 N21 53(11) . . . .
C148 N23 Co4 N21 -139(10) . . . .
C151 N23 Co4 N22 100.2(13) . . . .
C148 N23 Co4 N22 -92.6(15) . . . .
C151 N23 Co4 N20 -88.1(13) . . . .
C148 N23 Co4 N20 79.0(15) . . . .
C151 N23 Co4 N19 -167.0(13) . . . .
C148 N23 Co4 N19 0.2(16) . . . .
C178 N28 Co5 N29 -104.5(14) . . . .
C179 N28 Co5 N29 81.6(17) . . . .
C178 N28 Co5 N30 177.1(15) . . . .
C179 N28 Co5 N30 3.2(18) . . . .
C178 N28 Co5 N27 -8.2(14) . . . .
C179 N28 Co5 N27 177.9(17) . . . .
C178 N28 Co5 N25 20(4) . . . .
C179 N28 Co5 N25 -154(3) . . . .
C178 N28 Co5 N26 72.3(14) . . . .
C179 N28 Co5 N26 -101.6(16) . . . .
C192 N29 Co5 N28 66.5(17) . . . .
C191 N29 Co5 N28 -99.3(15) . . . .
C192 N29 Co5 N30 157.6(16) . . . .
C191 N29 Co5 N30 -8.3(15) . . . .
C192 N29 Co5 N27 -10.0(17) . . . .
C191 N29 Co5 N27 -175.9(15) . . . .
C192 N29 Co5 N25 -102.7(17) . . . .
C191 N29 Co5 N25 91.5(15) . . . .
C192 N29 Co5 N26 -87(5) . . . .
C191 N29 Co5 N26 107(5) . . . .
C190 N30 Co5 N28 107.3(16) . . . .
C187 N30 Co5 N28 -85.4(7) . . . .
C190 N30 Co5 N29 14.6(16) . . . .
C187 N30 Co5 N29 -178.2(6) . . . .
C190 N30 Co5 N27 84(4) . . . .
C187 N30 Co5 N27 -108(3) . . . .
C190 N30 Co5 N25 -77.7(16) . . . .
C187 N30 Co5 N25 89.5(8) . . . .
C190 N30 Co5 N26 -158.6(16) . . . .
C187 N30 Co5 N26 8.7(8) . . . .
C177 N27 Co5 N28 9.9(14) . . . .
C174 N27 Co5 N28 -178.9(16) . . . .
C177 N27 Co5 N29 101.3(15) . . . .
C174 N27 Co5 N29 -87.4(15) . . . .
C177 N27 Co5 N30 34(4) . . . .
C174 N27 Co5 N30 -155(3) . . . .
C177 N27 Co5 N25 -164.1(15) . . . .
C174 N27 Co5 N25 7.2(15) . . . .
C177 N27 Co5 N26 -85.9(15) . . . .
C174 N27 Co5 N26 85.3(15) . . . .
C158 N25 Co5 N28 -123(3) . . . .
C159 N25 Co5 N28 40(4) . . . .
C158 N25 Co5 N29 1.1(18) . . . .
C159 N25 Co5 N29 164.6(14) . . . .
C158 N25 Co5 N30 80.1(19) . . . .
C159 N25 Co5 N30 -116.4(15) . . . .
C158 N25 Co5 N27 -95.9(18) . . . .
C159 N25 Co5 N27 67.6(14) . . . .
C158 N25 Co5 N26 -176.9(18) . . . .
C159 N25 Co5 N26 -13.4(13) . . . .
C162 N26 Co5 N28 -157.3(14) . . . .
C163 N26 Co5 N28 12.8(17) . . . .
C162 N26 Co5 N29 -4(6) . . . .
C163 N26 Co5 N29 167(5) . . . .
C162 N26 Co5 N30 110.1(14) . . . .
C163 N26 Co5 N30 -79.8(16) . . . .
C162 N26 Co5 N27 -81.8(14) . . . .
C163 N26 Co5 N27 88.4(16) . . . .
C162 N26 Co5 N25 12.1(14) . . . .
C163 N26 Co5 N25 -177.7(17) . . . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.750 -0.259 0.250 2939 665 ' '
2 0.251 0.258 0.750 2938 667 ' '
3 0.058 0.123 0.131 7 4 ' '
4 0.442 0.123 0.369 7 5 ' '
5 0.558 0.877 0.631 7 4 ' '
6 0.942 0.877 0.869 7 6 ' '
