#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/72/1517271.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_1517271
loop_
_publ_author_name
'Cullen, William'
'Turega, Simon'
'Hunter, Christopher A.'
'Ward, Michael D.'
_publ_section_title
;
 pH-dependent binding of guests in the cavity of a polyhedral coordination
 cage: reversible uptake and release of drug molecules
;
_journal_issue                   1
_journal_name_full               'Chem. Sci.'
_journal_page_first              625
_journal_paper_doi               10.1039/C4SC02090A
_journal_volume                  6
_journal_year                    2015
_chemical_formula_moiety         'C360 H300 Co8 N72 O24, C11 H15 O2, 8(B F4)'
_chemical_formula_sum            'C371 H328 B16 Co8 F64 N72 O26'
_chemical_formula_weight         8071.43
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 107.152(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   27.3936(7)
_cell_length_b                   39.1227(10)
_cell_length_c                   41.964(3)
_cell_measurement_reflns_used    69977
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      3.0
_cell_volume                     42973(4)
_computing_cell_refinement
'CrystalClear-SM Expert 3.1 b27 (Rigaku, 20112)'
_computing_data_collection
'CrystalClear-SM Expert 3.1 b27 (Rigaku, 20112)'
_computing_data_reduction
'CrystalClear-SM Expert 3.1 b27 (Rigaku, 20112)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    SHELXS-86
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'AFC12 (Right): Kappa 3 circle'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0522
_diffrn_reflns_av_unetI/netI     0.0755
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       50
_diffrn_reflns_limit_k_min       -50
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -54
_diffrn_reflns_number            147295
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_min         3.001
_diffrn_source                   'rotating anode'
_exptl_absorpt_coefficient_mu    0.393
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.542
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.248
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             16552
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.923
_refine_diff_density_min         -1.110
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.437
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1889
_refine_ls_number_reflns         49124
_refine_ls_number_restraints     2560
_refine_ls_restrained_S_all      1.490
_refine_ls_R_factor_all          0.2260
_refine_ls_R_factor_gt           0.1630
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4367
_refine_ls_wR_factor_ref         0.4692
_reflns_Friedel_coverage         0.000
_reflns_number_gt                20908
_reflns_number_total             49124
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4sc02090a2.cif
_cod_data_source_block           2014ncs0166
_cod_depositor_comments          'Adding full bibliography for 1517271.cif.'
_cod_database_code               1517271
#BEGIN Tags that were not found in dictionaries:
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2013-4
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.59166(3) 0.25851(2) 0.04190(2) 0.0633(3) Uani 1 1 d . . . . .
Co2 Co 0.40362(4) 0.03717(2) 0.12494(3) 0.0808(3) Uani 1 1 d . . . . .
Co3 Co 0.31994(4) 0.25750(3) -0.21594(3) 0.0978(4) Uani 1 1 d . . . . .
Co4 Co 0.12084(5) 0.03664(3) -0.13055(3) 0.0999(4) Uani 1 1 d . . . . .
N11A N 0.27265(15) 0.29860(9) -0.23927(10) 0.0861(11) Uani 1 1 d G U . . .
C12A C 0.22676(17) 0.29545(9) -0.26451(11) 0.0870(12) Uani 1 1 d G U . . .
H12A H 0.2151 0.2740 -0.2728 0.104 Uiso 1 1 calc R U . . .
C13A C 0.19834(14) 0.32441(11) -0.27732(10) 0.0868(12) Uani 1 1 d G U . . .
H13A H 0.1676 0.3223 -0.2942 0.104 Uiso 1 1 calc R U . . .
C14A C 0.21581(16) 0.35652(9) -0.26488(11) 0.0841(11) Uani 1 1 d DG U . . .
C15A C 0.26170(17) 0.35967(9) -0.23964(11) 0.0865(12) Uani 1 1 d G U . . .
H15A H 0.2734 0.3812 -0.2313 0.104 Uiso 1 1 calc R U . . .
C16A C 0.29012(14) 0.33071(11) -0.22684(10) 0.0894(11) Uani 1 1 d G U . . .
C17A C 0.1849(3) 0.38814(18) -0.27738(17) 0.0886(13) Uani 1 1 d D U . . .
H17A H 0.1722 0.3973 -0.2599 0.106 Uiso 1 1 calc R U . . .
H17B H 0.2067 0.4053 -0.2829 0.106 Uiso 1 1 calc R U . . .
O18A O 0.1446(2) 0.38135(14) -0.30503(14) 0.1172(17) Uani 1 1 d D U . . .
N21A N 0.40848(16) 0.30821(12) -0.16928(12) 0.1031(11) Uani 1 1 d G U . . .
N22A N 0.36003(18) 0.30016(10) -0.19185(12) 0.0994(12) Uani 1 1 d G U . . .
C23A C 0.33529(16) 0.33132(13) -0.20456(13) 0.0980(12) Uani 1 1 d G U . . .
C24A C 0.3684(2) 0.35862(10) -0.18985(15) 0.1063(14) Uani 1 1 d G U . . .
H24A H 0.3617 0.3818 -0.1938 0.128 Uiso 1 1 calc R U . . .
C25A C 0.41368(18) 0.34434(12) -0.16804(13) 0.1084(14) Uani 1 1 d G U . . .
H25A H 0.4418 0.3565 -0.1552 0.130 Uiso 1 1 calc R U . . .
C26A C 0.4419(3) 0.2856(2) -0.14939(19) 0.0968(12) Uani 1 1 d . U . . .
H26A H 0.4757 0.2956 -0.1437 0.116 Uiso 1 1 calc R U . . .
H26B H 0.4425 0.2652 -0.1624 0.116 Uiso 1 1 calc R U . . .
N31A N 0.64586(16) 0.22677(11) 0.07771(11) 0.0933(11) Uani 1 1 d G U . . .
C32A C 0.68739(19) 0.23886(10) 0.10300(13) 0.1038(14) Uani 1 1 d G U . . .
H32A H 0.6931 0.2623 0.1058 0.125 Uiso 1 1 calc R U . . .
C33A C 0.72041(18) 0.21599(15) 0.12412(12) 0.1146(15) Uani 1 1 d G U . . .
H33A H 0.7482 0.2241 0.1410 0.137 Uiso 1 1 calc R U . . .
C34A C 0.7119(2) 0.18102(13) 0.11996(13) 0.1209(14) Uani 1 1 d DG U . . .
C35A C 0.6704(2) 0.16893(9) 0.09467(14) 0.1075(14) Uani 1 1 d G U . . .
H35A H 0.6647 0.1455 0.0919 0.129 Uiso 1 1 calc R U . . .
C36A C 0.63735(16) 0.19181(12) 0.07354(11) 0.0933(11) Uani 1 1 d G U . . .
C37A C 0.7503(4) 0.1587(3) 0.1473(2) 0.1404(19) Uani 1 1 d D U . . .
H37A H 0.7848 0.1678 0.1536 0.168 Uiso 1 1 calc R U . . .
H37B H 0.7391 0.1554 0.1670 0.168 Uiso 1 1 calc R U . . .
O38A O 0.7455(4) 0.1302(2) 0.1287(2) 0.185(3) Uani 1 1 d D U . . .
N41A N 0.51827(14) 0.19237(10) 0.00944(9) 0.0790(9) Uani 1 1 d G U . . .
N42A N 0.56091(16) 0.20886(7) 0.03182(10) 0.0761(10) Uani 1 1 d G U . . .
C43A C 0.59496(14) 0.18321(11) 0.04943(10) 0.0830(10) Uani 1 1 d G U . . .
C44A C 0.57336(18) 0.15087(8) 0.03792(12) 0.0863(11) Uani 1 1 d G U . . .
H44A H 0.5877 0.1297 0.0453 0.104 Uiso 1 1 calc R U . . .
C45A C 0.52596(17) 0.15652(9) 0.01321(11) 0.0840(11) Uani 1 1 d G U . . .
H45A H 0.5038 0.1397 0.0015 0.101 Uiso 1 1 calc R U . . .
C46A C 0.4792(3) 0.21059(16) -0.01154(16) 0.0763(10) Uani 1 1 d . U . . .
H46A H 0.4750 0.2318 -0.0006 0.092 Uiso 1 1 calc R U . . .
H46B H 0.4479 0.1976 -0.0154 0.092 Uiso 1 1 calc R U . . .
C51A C 0.43183(13) 0.27475(9) -0.11760(8) 0.0897(10) Uani 1 1 d G U . . .
C52A C 0.39207(13) 0.28991(9) -0.10845(10) 0.0926(12) Uani 1 1 d G U . . .
H52A H 0.3709 0.3057 -0.1225 0.111 Uiso 1 1 calc R U . . .
C53A C 0.38394(12) 0.28148(10) -0.07824(10) 0.0897(12) Uani 1 1 d G U . . .
H53A H 0.3573 0.2916 -0.0721 0.108 Uiso 1 1 calc R U . . .
C54A C 0.41557(13) 0.25788(9) -0.05718(8) 0.0822(11) Uani 1 1 d G U . . .
H54A H 0.4101 0.2522 -0.0370 0.099 Uiso 1 1 calc R U . . .
C55A C 0.45533(10) 0.24272(7) -0.06633(6) 0.0782(9) Uani 1 1 d G U . . .
C56A C 0.46346(10) 0.25116(7) -0.09654(6) 0.0806(10) Uani 1 1 d G U . . .
C57A C 0.50322(13) 0.23600(9) -0.10569(8) 0.0789(11) Uani 1 1 d G U . . .
H57A H 0.5087 0.2416 -0.1259 0.095 Uiso 1 1 calc R U . . .
C58A C 0.53485(12) 0.21240(9) -0.08463(9) 0.0787(11) Uani 1 1 d G U . . .
H58A H 0.5614 0.2023 -0.0908 0.094 Uiso 1 1 calc R U . . .
C59A C 0.52672(12) 0.20397(9) -0.05442(9) 0.0757(10) Uani 1 1 d G U . . .
H59A H 0.5479 0.1882 -0.0403 0.091 Uiso 1 1 calc R U . . .
C60A C 0.48696(13) 0.21913(9) -0.04527(7) 0.0751(9) Uani 1 1 d G U . . .
N11B N 0.63309(15) 0.30301(10) 0.06234(11) 0.0919(11) Uani 1 1 d G U . . .
C12B C 0.67243(18) 0.31676(12) 0.05172(11) 0.1031(13) Uani 1 1 d G U . . .
H12B H 0.6785 0.3085 0.0325 0.124 Uiso 1 1 calc R U . . .
C13B C 0.70262(17) 0.34281(13) 0.06989(14) 0.1158(15) Uani 1 1 d G U . . .
H13B H 0.7289 0.3520 0.0628 0.139 Uiso 1 1 calc R U . . .
C14B C 0.6935(2) 0.35511(12) 0.09867(13) 0.1211(14) Uani 1 1 d DG U . . .
C15B C 0.6541(2) 0.34137(13) 0.10929(11) 0.1087(14) Uani 1 1 d G U . . .
H15B H 0.6480 0.3496 0.1286 0.130 Uiso 1 1 calc R U . . .
C16B C 0.62395(16) 0.31532(12) 0.09113(12) 0.0913(11) Uani 1 1 d G U . . .
C17B C 0.7252(4) 0.3830(2) 0.1203(3) 0.1413(18) Uani 1 1 d D U . . .
H17C H 0.7027 0.4017 0.1217 0.170 Uiso 1 1 calc R U . . .
H17D H 0.7396 0.3740 0.1426 0.170 Uiso 1 1 calc R U . . .
O18B O 0.7622(3) 0.3951(2) 0.1101(2) 0.180(3) Uani 1 1 d D U . . .
H18B H 0.7789 0.4087 0.1239 0.270 Uiso 1 1 calc R U . . .
N21B N 0.52114(13) 0.26274(8) 0.09414(9) 0.0673(8) Uani 1 1 d G U . . .
N22B N 0.55995(14) 0.27367(9) 0.08027(8) 0.0668(9) Uani 1 1 d G U . . .
C23B C 0.58780(14) 0.30034(10) 0.10063(11) 0.0767(10) Uani 1 1 d G U . . .
C24B C 0.56620(17) 0.30591(10) 0.12708(9) 0.0769(11) Uani 1 1 d G U . . .
H24B H 0.5771 0.3220 0.1440 0.092 Uiso 1 1 calc R U . . .
C25B C 0.52501(16) 0.28267(10) 0.12307(9) 0.0732(10) Uani 1 1 d G U . . .
H25B H 0.5042 0.2808 0.1369 0.088 Uiso 1 1 calc R U . . .
C26B C 0.4913(2) 0.23508(13) 0.08272(14) 0.0631(9) Uani 1 1 d . U . . .
H26C H 0.4837 0.2344 0.0586 0.076 Uiso 1 1 calc R U . . .
H26D H 0.4592 0.2382 0.0877 0.076 Uiso 1 1 calc R U . . .
N31B N 0.35863(15) 0.00017(9) 0.09206(10) 0.0851(10) Uani 1 1 d G U . . .
C32B C 0.31717(16) -0.01693(11) 0.09728(10) 0.0906(12) Uani 1 1 d G U . . .
H32B H 0.3080 -0.0129 0.1166 0.109 Uiso 1 1 calc R U . . .
C33B C 0.28946(14) -0.04002(11) 0.07364(13) 0.0943(12) Uani 1 1 d G U . . .
H33B H 0.2617 -0.0515 0.0771 0.113 Uiso 1 1 calc R U . . .
C34B C 0.30321(17) -0.04601(10) 0.04479(11) 0.0939(11) Uani 1 1 d DG U . . .
C35B C 0.34467(18) -0.02891(11) 0.03957(10) 0.0879(12) Uani 1 1 d G U . . .
H35B H 0.3539 -0.0329 0.0203 0.106 Uiso 1 1 calc R U . . .
C36B C 0.37238(14) -0.00582(10) 0.06320(11) 0.0832(10) Uani 1 1 d G U . . .
C37B C 0.2737(3) -0.07018(18) 0.0178(2) 0.1033(14) Uani 1 1 d D U . . .
H37C H 0.2517 -0.0569 -0.0003 0.124 Uiso 1 1 calc R U . . .
H37D H 0.2977 -0.0826 0.0091 0.124 Uiso 1 1 calc R U . . .
O38B O 0.2444(2) -0.09333(15) 0.02884(16) 0.1257(18) Uani 1 1 d D U . . .
H38B H 0.2226 -0.0831 0.0350 0.189 Uiso 1 1 calc R U . . .
N41B N 0.48050(14) 0.04749(9) 0.07657(10) 0.0787(9) Uani 1 1 d G U . . .
N42B N 0.43594(15) 0.03532(9) 0.08360(10) 0.0795(10) Uani 1 1 d G U . . .
C43B C 0.41232(14) 0.01082(10) 0.05889(12) 0.0799(10) Uani 1 1 d G U . . .
C44B C 0.44230(18) 0.00785(10) 0.03659(10) 0.0812(11) Uani 1 1 d G U . . .
H44B H 0.4355 -0.0064 0.0181 0.097 Uiso 1 1 calc R U . . .
C45B C 0.48443(15) 0.03051(11) 0.04752(11) 0.0816(11) Uani 1 1 d G U . . .
H45B H 0.5101 0.0337 0.0374 0.098 Uiso 1 1 calc R U . . .
C46B C 0.5096(3) 0.07527(14) 0.09283(18) 0.0771(11) Uani 1 1 d . U . . .
H46C H 0.5434 0.0739 0.0899 0.093 Uiso 1 1 calc R U . . .
H46D H 0.5135 0.0736 0.1165 0.093 Uiso 1 1 calc R U . . .
C51B C 0.51297(11) 0.20119(5) 0.09631(7) 0.0618(9) Uani 1 1 d G U . . .
C52B C 0.55895(11) 0.19993(7) 0.12169(7) 0.0674(10) Uani 1 1 d G U . . .
H52B H 0.5751 0.2201 0.1309 0.081 Uiso 1 1 calc R U . . .
C53B C 0.58084(10) 0.16855(8) 0.13332(7) 0.0710(11) Uani 1 1 d G U . . .
H53B H 0.6116 0.1677 0.1503 0.085 Uiso 1 1 calc R U . . .
C54B C 0.55674(10) 0.13843(6) 0.11958(7) 0.0675(10) Uani 1 1 d G U . . .
H54B H 0.5714 0.1174 0.1274 0.081 Uiso 1 1 calc R U . . .
C55B C 0.51076(8) 0.13969(5) 0.09420(6) 0.0657(9) Uani 1 1 d G U . . .
C56B C 0.48887(8) 0.17107(5) 0.08257(5) 0.0627(9) Uani 1 1 d G U . . .
C57B C 0.44288(9) 0.17233(6) 0.05719(7) 0.0655(10) Uani 1 1 d G U . . .
H57B H 0.4282 0.1933 0.0494 0.079 Uiso 1 1 calc R U . . .
C58B C 0.41878(10) 0.14222(8) 0.04345(7) 0.0684(10) Uani 1 1 d G U . . .
H58B H 0.3880 0.1431 0.0265 0.082 Uiso 1 1 calc R U . . .
C59B C 0.44067(11) 0.11084(6) 0.05508(8) 0.0715(10) Uani 1 1 d G U . . .
H59B H 0.4245 0.0907 0.0459 0.086 Uiso 1 1 calc R U . . .
C60B C 0.48666(11) 0.10958(5) 0.08046(8) 0.0701(9) Uani 1 1 d G U . . .
N11C N 0.44696(15) 0.07870(8) 0.15184(11) 0.0841(11) Uani 1 1 d G U . . .
C12C C 0.49392(16) 0.07607(8) 0.17614(11) 0.0867(12) Uani 1 1 d G U . . .
H12C H 0.5086 0.0547 0.1822 0.104 Uiso 1 1 calc R U . . .
C13C C 0.51896(14) 0.10536(11) 0.19133(10) 0.0890(12) Uani 1 1 d G U . . .
H13C H 0.5504 0.1036 0.2076 0.107 Uiso 1 1 calc R U . . .
C14C C 0.49704(17) 0.13729(9) 0.18220(11) 0.0874(11) Uani 1 1 d DG U . . .
C15C C 0.45007(17) 0.13992(7) 0.15790(12) 0.0822(11) Uani 1 1 d G U . . .
H15C H 0.4354 0.1613 0.1518 0.099 Uiso 1 1 calc R U . . .
C16C C 0.42503(13) 0.11063(10) 0.14271(10) 0.0839(10) Uani 1 1 d G U . . .
C17C C 0.5240(3) 0.16928(18) 0.1983(2) 0.0937(13) Uani 1 1 d D U . . .
H17E H 0.5208 0.1866 0.1813 0.112 Uiso 1 1 calc R U . . .
H17F H 0.5073 0.1778 0.2142 0.112 Uiso 1 1 calc R U . . .
O18C O 0.5743(2) 0.16417(15) 0.21430(15) 0.1233(17) Uani 1 1 d D U . . .
H18C H 0.5887 0.1572 0.2010 0.185 Uiso 1 1 calc R U . . .
N21C N 0.30494(15) 0.08879(10) 0.08583(12) 0.0935(10) Uani 1 1 d G U . . .
N22C N 0.35380(16) 0.08032(8) 0.10764(12) 0.0880(11) Uani 1 1 d G U . . .
C23C C 0.37899(14) 0.11123(11) 0.12073(12) 0.0872(11) Uani 1 1 d G U . . .
C24C C 0.34571(18) 0.13879(8) 0.10700(14) 0.0918(12) Uani 1 1 d G U . . .
H24C H 0.3527 0.1619 0.1114 0.110 Uiso 1 1 calc R U . . .
C25C C 0.29994(16) 0.12493(10) 0.08543(13) 0.0953(12) Uani 1 1 d G U . . .
H25C H 0.2717 0.1373 0.0732 0.114 Uiso 1 1 calc R U . . .
C26C C 0.2714(3) 0.06534(18) 0.0678(2) 0.0954(11) Uani 1 1 d . U . . .
H26E H 0.2369 0.0740 0.0639 0.114 Uiso 1 1 calc R U . . .
H26F H 0.2744 0.0445 0.0808 0.114 Uiso 1 1 calc R U . . .
N31C N 0.0657(3) -0.00180(17) -0.15754(19) 0.1588(18) Uani 1 1 d G U . . .
C32C C 0.0182(3) 0.00435(15) -0.1804(2) 0.167(2) Uani 1 1 d G U . . .
H32C H 0.0066 0.0267 -0.1850 0.201 Uiso 1 1 calc R U . . .
C33C C -0.0118(3) -0.0229(2) -0.1963(2) 0.173(2) Uani 1 1 d DG U . . .
H33C H -0.0436 -0.0187 -0.2116 0.208 Uiso 0 1 calc R U P A 2
C34C C 0.0056(3) -0.05620(17) -0.1894(2) 0.1764(19) Uani 1 1 d DG U . . .
C35C C 0.0531(3) -0.06234(14) -0.1666(2) 0.1659(19) Uani 1 1 d DG U . . .
H35C H 0.0647 -0.0847 -0.1620 0.199 Uiso 1 1 calc R U . . .
C36C C 0.0831(3) -0.0351(2) -0.15063(19) 0.1546(16) Uani 1 1 d G U . . .
C37C C -0.0278(5) -0.0879(3) -0.2073(3) 0.189(2) Uani 1 1 d D U . . .
H37E H -0.0103 -0.1095 -0.2012 0.227 Uiso 1 1 calc R U . . .
H37F H -0.0611 -0.0886 -0.2037 0.227 Uiso 1 1 calc R U . . .
O38C O -0.0299(5) -0.0777(3) -0.2391(3) 0.220(3) Uani 1 1 d D U . . .
N41C N 0.2031(3) -0.02406(14) -0.09306(16) 0.1290(13) Uani 1 1 d G U . . .
N42C N 0.1562(3) -0.01190(12) -0.11483(17) 0.1329(15) Uani 1 1 d G U . . .
C43C C 0.1269(3) -0.04064(18) -0.13010(17) 0.1426(15) Uani 1 1 d G U . . .
C44C C 0.1556(3) -0.07055(12) -0.11776(19) 0.1421(17) Uani 1 1 d G U . . .
H44C H 0.1454 -0.0929 -0.1236 0.171 Uiso 1 1 calc R U . . .
C45C C 0.2027(3) -0.06031(14) -0.09487(18) 0.1360(16) Uani 1 1 d G U . . .
H45C H 0.2287 -0.0748 -0.0831 0.163 Uiso 1 1 calc R U . . .
C46C C 0.2366(4) -0.0026(2) -0.0725(2) 0.1155(13) Uani 1 1 d . U . . .
H46E H 0.2370 0.0188 -0.0842 0.139 Uiso 1 1 calc R U . . .
H46F H 0.2705 -0.0124 -0.0674 0.139 Uiso 1 1 calc R U . . .
C51C C 0.27968(15) 0.05680(9) 0.03416(9) 0.0967(11) Uani 1 1 d G U . . .
C52C C 0.32203(14) 0.07081(10) 0.02719(11) 0.1001(12) Uani 1 1 d G U . . .
H52C H 0.3436 0.0855 0.0424 0.120 Uiso 1 1 calc R U . . .
C53C C 0.33214(13) 0.06285(10) -0.00252(12) 0.1020(13) Uani 1 1 d G U . . .
H53C H 0.3605 0.0722 -0.0072 0.122 Uiso 1 1 calc R U . . .
C54C C 0.29990(15) 0.04089(10) -0.02526(10) 0.1018(13) Uani 1 1 d G U . . .
H54C H 0.3067 0.0356 -0.0451 0.122 Uiso 1 1 calc R U . . .
C55C C 0.25754(12) 0.02689(7) -0.01829(8) 0.1009(11) Uani 1 1 d G U . . .
C56C C 0.24743(12) 0.03484(7) 0.01142(8) 0.0965(11) Uani 1 1 d G U . . .
C57C C 0.20508(14) 0.02084(10) 0.01839(10) 0.0979(12) Uani 1 1 d G U . . .
H57C H 0.1983 0.0262 0.0383 0.117 Uiso 1 1 calc R U . . .
C58C C 0.17283(14) -0.00112(10) -0.00435(12) 0.1007(13) Uani 1 1 d G U . . .
H58C H 0.1445 -0.0105 0.0003 0.121 Uiso 1 1 calc R U . . .
C59C C 0.18294(16) -0.00908(10) -0.03407(11) 0.1034(13) Uani 1 1 d G U . . .
H59C H 0.1614 -0.0238 -0.0493 0.124 Uiso 1 1 calc R U . . .
C60C C 0.22530(16) 0.00493(10) -0.04104(9) 0.1061(11) Uani 1 1 d G U . . .
N11D N 0.08730(18) 0.03853(12) -0.09136(10) 0.0967(12) Uani 1 1 d G U . . .
C12D C 0.04522(18) 0.01979(11) -0.08931(11) 0.1016(13) Uani 1 1 d G U . . .
H12D H 0.0293 0.0046 -0.1062 0.122 Uiso 1 1 calc R U . . .
C13D C 0.02691(17) 0.02374(12) -0.06197(14) 0.1027(13) Uani 1 1 d G U . . .
H13D H -0.0012 0.0112 -0.0606 0.123 Uiso 1 1 calc R U . . .
C14D C 0.0507(2) 0.04645(13) -0.03667(11) 0.0989(11) Uani 1 1 d DG U . . .
C15D C 0.09275(19) 0.06519(11) -0.03871(10) 0.0918(11) Uani 1 1 d G U . . .
H15D H 0.1086 0.0804 -0.0218 0.110 Uiso 1 1 calc R U . . .
C16D C 0.11106(16) 0.06123(11) -0.06606(12) 0.0901(10) Uani 1 1 d G U . . .
C17D C 0.0308(3) 0.0523(2) -0.0074(2) 0.1036(14) Uani 1 1 d D U . . .
H17G H 0.0580 0.0478 0.0130 0.124 Uiso 1 1 calc R U . . .
H17H H 0.0210 0.0760 -0.0070 0.124 Uiso 1 1 calc R U . . .
O18D O -0.0112(2) 0.03150(14) -0.00815(16) 0.1172(16) Uani 1 1 d D U . . .
N21D N 0.21729(16) 0.08931(11) -0.09136(10) 0.0852(9) Uani 1 1 d G U . . .
N22D N 0.17083(16) 0.07110(10) -0.09619(9) 0.0832(10) Uani 1 1 d G U . . .
C23D C 0.15264(16) 0.07765(11) -0.06840(12) 0.0856(10) Uani 1 1 d G U . . .
C24D C 0.1879(2) 0.09991(12) -0.04639(10) 0.0859(11) Uani 1 1 d G U . . .
H24D H 0.1852 0.1083 -0.0262 0.103 Uiso 1 1 calc R U . . .
C25D C 0.22782(16) 0.10712(11) -0.06058(11) 0.0867(11) Uani 1 1 d G U . . .
H25D H 0.2559 0.1210 -0.0513 0.104 Uiso 1 1 calc R U . . .
C26D C 0.2418(3) 0.09323(16) -0.11521(18) 0.0849(11) Uani 1 1 d . U . . .
H26G H 0.2381 0.0724 -0.1282 0.102 Uiso 1 1 calc R U . . .
H26H H 0.2780 0.0966 -0.1043 0.102 Uiso 1 1 calc R U . . .
N31D N 0.3598(2) 0.25923(16) -0.25416(14) 0.1271(14) Uani 1 1 d G U . . .
C32D C 0.4045(2) 0.27742(16) -0.25120(14) 0.1325(15) Uani 1 1 d G U . . .
H32D H 0.4177 0.2918 -0.2330 0.159 Uiso 1 1 calc R U . . .
C33D C 0.4296(2) 0.27416(18) -0.27541(17) 0.1356(16) Uani 1 1 d G U . . .
H33D H 0.4595 0.2863 -0.2734 0.163 Uiso 1 1 calc R U . . .
C34D C 0.4100(3) 0.25271(18) -0.30258(15) 0.1391(15) Uani 1 1 d DG U . . .
C35D C 0.3653(3) 0.23452(16) -0.30554(14) 0.1309(15) Uani 1 1 d G U . . .
H35D H 0.3521 0.2202 -0.3237 0.157 Uiso 1 1 calc R U . . .
C36D C 0.3402(2) 0.23778(16) -0.28133(16) 0.1245(13) Uani 1 1 d G U . . .
C37D C 0.4368(4) 0.2468(3) -0.3282(3) 0.1467(18) Uani 1 1 d D U . . .
H37G H 0.4399 0.2224 -0.3315 0.176 Uiso 1 1 calc R U . . .
H37H H 0.4171 0.2567 -0.3493 0.176 Uiso 1 1 calc R U . . .
O38D O 0.4855(4) 0.2617(2) -0.3179(2) 0.183(2) Uani 1 1 d D U . . .
H38D H 0.5021 0.2532 -0.3002 0.274 Uiso 1 1 calc R U . . .
N41D N 0.2363(2) 0.20022(13) -0.26142(12) 0.1080(11) Uani 1 1 d G U . . .
N42D N 0.2799(2) 0.22168(13) -0.25480(11) 0.1072(12) Uani 1 1 d G U . . .
C43D C 0.2990(2) 0.22024(15) -0.28278(14) 0.1140(12) Uani 1 1 d G U . . .
C44D C 0.2671(3) 0.19789(16) -0.30668(11) 0.1161(14) Uani 1 1 d G U . . .
H44D H 0.2710 0.1923 -0.3274 0.139 Uiso 1 1 calc R U . . .
C45D C 0.2284(2) 0.18552(14) -0.29348(13) 0.1130(13) Uani 1 1 d G U . . .
H45D H 0.2024 0.1704 -0.3040 0.136 Uiso 1 1 calc R U . . .
C46D C 0.2139(4) 0.19337(19) -0.2379(2) 0.1006(12) Uani 1 1 d . U . . .
H46G H 0.1791 0.1860 -0.2487 0.121 Uiso 1 1 calc R U . . .
H46H H 0.2122 0.2143 -0.2259 0.121 Uiso 1 1 calc R U . . .
C51D C 0.22166(15) 0.12333(9) -0.13899(8) 0.0850(10) Uani 1 1 d G U . . .
C52D C 0.17969(15) 0.14115(10) -0.13542(10) 0.0894(12) Uani 1 1 d G U . . .
H52D H 0.1661 0.1356 -0.1182 0.107 Uiso 1 1 calc R U . . .
C53D C 0.15799(14) 0.16723(10) -0.15757(11) 0.0925(12) Uani 1 1 d G U . . .
H53D H 0.1299 0.1791 -0.1552 0.111 Uiso 1 1 calc R U . . .
C54D C 0.17827(14) 0.17549(9) -0.18329(9) 0.0931(12) Uani 1 1 d G U . . .
H54D H 0.1638 0.1929 -0.1981 0.112 Uiso 1 1 calc R U . . .
C55D C 0.22025(11) 0.15767(7) -0.18687(7) 0.0906(10) Uani 1 1 d G U . . .
C56D C 0.24194(11) 0.13160(6) -0.16472(7) 0.0878(10) Uani 1 1 d G U . . .
C57D C 0.28391(13) 0.11378(8) -0.16829(9) 0.0891(12) Uani 1 1 d G U . . .
H57D H 0.2984 0.0963 -0.1535 0.107 Uiso 1 1 calc R U . . .
C58D C 0.30419(14) 0.12204(10) -0.19401(10) 0.0909(12) Uani 1 1 d G U . . .
H58D H 0.3323 0.1101 -0.1964 0.109 Uiso 1 1 calc R U . . .
C59D C 0.28250(16) 0.14812(10) -0.21616(10) 0.0935(12) Uani 1 1 d G U . . .
H59D H 0.2961 0.1536 -0.2334 0.112 Uiso 1 1 calc R U . . .
C60D C 0.24053(16) 0.16593(9) -0.21259(8) 0.0944(11) Uani 1 1 d G U . . .
N11E N 0.63001(14) 0.25145(11) 0.00464(9) 0.0820(10) Uani 1 1 d G U . . .
C12E C 0.67195(15) 0.23034(11) 0.00766(10) 0.0885(12) Uani 1 1 d G U . . .
H12E H 0.6851 0.2174 0.0269 0.106 Uiso 1 1 calc R U . . .
C13E C 0.69424(15) 0.22854(12) -0.01807(12) 0.0934(12) Uani 1 1 d G U . . .
H13E H 0.7223 0.2144 -0.0160 0.112 Uiso 1 1 calc R U . . .
C14E C 0.67460(17) 0.24784(13) -0.04681(10) 0.0951(11) Uani 1 1 d DG U . . .
C15E C 0.63266(16) 0.26896(12) -0.04983(9) 0.0860(11) Uani 1 1 d G U . . .
H15E H 0.6195 0.2819 -0.0691 0.103 Uiso 1 1 calc R U . . .
C16E C 0.61037(14) 0.27076(11) -0.02410(10) 0.0797(10) Uani 1 1 d G U . . .
C17E C 0.6994(3) 0.2479(2) -0.0747(2) 0.1092(14) Uani 1 1 d D U . . .
H17I H 0.6729 0.2469 -0.0959 0.131 Uiso 1 1 calc R U . . .
H17J H 0.7177 0.2693 -0.0740 0.131 Uiso 1 1 calc R U . . .
O18E O 0.7325(3) 0.2216(2) -0.07304(19) 0.154(2) Uani 1 1 d D U . . .
H18E H 0.7451 0.2231 -0.0885 0.231 Uiso 1 1 calc R U . . .
N21E N 0.50321(13) 0.30887(10) -0.00712(9) 0.0733(9) Uani 1 1 d G U . . .
N22E N 0.54665(13) 0.28714(9) 0.00072(8) 0.0702(9) Uani 1 1 d G U . . .
C23E C 0.56839(14) 0.28871(11) -0.02606(10) 0.0735(9) Uani 1 1 d G U . . .
C24E C 0.53838(17) 0.31141(12) -0.05046(8) 0.0767(11) Uani 1 1 d G U . . .
H24E H 0.5441 0.3171 -0.0706 0.092 Uiso 1 1 calc R U . . .
C25E C 0.49810(14) 0.32387(10) -0.03876(10) 0.0774(11) Uani 1 1 d G U . . .
H25E H 0.4728 0.3392 -0.0499 0.093 Uiso 1 1 calc R U . . .
C26E C 0.4748(2) 0.31315(16) 0.01433(16) 0.0736(10) Uani 1 1 d . U . . .
H26I H 0.4746 0.2919 0.0262 0.088 Uiso 1 1 calc R U . . .
H26J H 0.4398 0.3182 0.0016 0.088 Uiso 1 1 calc R U . . .
C46E C 0.4905(3) 0.4042(2) 0.14049(19) 0.1016(15) Uani 1 1 d . U . . .
H46I H 0.5268 0.4009 0.1508 0.122 Uiso 1 1 calc R U . . .
H46J H 0.4863 0.4258 0.1287 0.122 Uiso 1 1 calc R U . . .
C51E C 0.49464(13) 0.34159(9) 0.03943(8) 0.0789(10) Uani 1 1 d G U . . .
C52E C 0.53459(14) 0.36223(10) 0.03682(9) 0.0822(11) Uani 1 1 d G U . . .
H52E H 0.5485 0.3590 0.0193 0.099 Uiso 1 1 calc R U . . .
C53E C 0.55372(13) 0.38763(10) 0.06035(10) 0.0898(12) Uani 1 1 d G U . . .
H53E H 0.5804 0.4014 0.0586 0.108 Uiso 1 1 calc R U . . .
C54E C 0.53290(13) 0.39240(9) 0.08649(10) 0.0931(12) Uani 1 1 d G U . . .
H54E H 0.5457 0.4094 0.1022 0.112 Uiso 1 1 calc R U . . .
C55E C 0.49296(11) 0.37177(7) 0.08910(7) 0.0917(10) Uani 1 1 d G U . . .
C56E C 0.47383(10) 0.34636(7) 0.06557(7) 0.0853(10) Uani 1 1 d G U . . .
C57E C 0.43388(13) 0.32572(9) 0.06818(9) 0.0896(11) Uani 1 1 d G U . . .
H57E H 0.4211 0.3087 0.0524 0.108 Uiso 1 1 calc R U . . .
C58E C 0.41306(13) 0.33049(11) 0.09432(11) 0.0949(12) Uani 1 1 d G U . . .
H58E H 0.3863 0.3167 0.0961 0.114 Uiso 1 1 calc R U . . .
C59E C 0.43219(15) 0.35589(12) 0.11785(9) 0.0980(13) Uani 1 1 d G U . . .
H59E H 0.4183 0.3591 0.1353 0.118 Uiso 1 1 calc R U . . .
C60E C 0.47214(15) 0.37653(10) 0.11524(8) 0.0971(11) Uani 1 1 d G U . . .
N11F N 0.36498(17) 0.21770(11) -0.18803(11) 0.0966(11) Uani 1 1 d G U . . .
C12F C 0.40502(19) 0.20141(13) -0.19591(11) 0.1018(13) Uani 1 1 d G U . . .
H12F H 0.4132 0.2074 -0.2152 0.122 Uiso 1 1 calc R U . . .
C13F C 0.43289(18) 0.17619(13) -0.17498(13) 0.1019(13) Uani 1 1 d G U . . .
H13F H 0.4597 0.1653 -0.1802 0.122 Uiso 1 1 calc R U . . .
C14F C 0.4207(2) 0.16726(12) -0.14617(12) 0.1016(12) Uani 1 1 d DG U . . .
C15F C 0.3807(2) 0.18355(12) -0.13830(10) 0.0957(12) Uani 1 1 d G U . . .
H15F H 0.3725 0.1776 -0.1190 0.115 Uiso 1 1 calc R U . . .
C16F C 0.35282(17) 0.20877(12) -0.15923(12) 0.0933(11) Uani 1 1 d G U . . .
C17F C 0.4501(3) 0.1413(2) -0.1222(2) 0.1083(15) Uani 1 1 d D U . . .
H17K H 0.4650 0.1520 -0.1006 0.130 Uiso 1 1 calc R U . . .
H17L H 0.4271 0.1234 -0.1194 0.130 Uiso 1 1 calc R U . . .
O18F O 0.4885(3) 0.12709(16) -0.13314(15) 0.1293(18) Uani 1 1 d D U . . .
N21F N 0.24017(15) 0.25746(11) -0.16871(11) 0.0883(10) Uani 1 1 d G U . . .
N22F N 0.28320(17) 0.24696(11) -0.17855(10) 0.0872(10) Uani 1 1 d G U . . .
C23F C 0.31244(16) 0.22415(13) -0.15396(12) 0.0908(10) Uani 1 1 d G U . . .
C24F C 0.28748(19) 0.22054(13) -0.12890(10) 0.0927(12) Uani 1 1 d G U . . .
H24F H 0.2985 0.2071 -0.1099 0.111 Uiso 1 1 calc R U . . .
C25F C 0.24282(18) 0.24113(13) -0.13802(11) 0.0912(12) Uani 1 1 d G U . . .
H25F H 0.2194 0.2435 -0.1260 0.109 Uiso 1 1 calc R U . . .
C26F C 0.2074(3) 0.28281(18) -0.18350(19) 0.0878(11) Uani 1 1 d . U . . .
H26K H 0.1742 0.2778 -0.1807 0.105 Uiso 1 1 calc R U . . .
H26L H 0.2035 0.2824 -0.2072 0.105 Uiso 1 1 calc R U . . .
C51F C 0.22290(14) 0.31869(7) -0.17055(10) 0.0888(11) Uani 1 1 d G U . . .
C52F C 0.27065(13) 0.32299(10) -0.14743(10) 0.0952(13) Uani 1 1 d G U . . .
H52F H 0.2915 0.3041 -0.1398 0.114 Uiso 1 1 calc R U . . .
C53F C 0.28722(11) 0.35548(11) -0.13569(10) 0.0980(13) Uani 1 1 d G U . . .
H53F H 0.3192 0.3584 -0.1202 0.118 Uiso 1 1 calc R U . . .
C54F C 0.25606(12) 0.38366(9) -0.14708(9) 0.0961(13) Uani 1 1 d G U . . .
H54F H 0.2671 0.4054 -0.1392 0.115 Uiso 1 1 calc R U . . .
C55F C 0.20831(11) 0.37935(7) -0.17020(7) 0.0892(11) Uani 1 1 d G U . . .
C56F C 0.19174(11) 0.34687(7) -0.18194(7) 0.0877(11) Uani 1 1 d G U . . .
C57F C 0.14400(12) 0.34256(9) -0.20507(9) 0.0867(12) Uani 1 1 d G U . . .
H57F H 0.1329 0.3208 -0.2129 0.104 Uiso 1 1 calc R U . . .
C58F C 0.11283(11) 0.37074(11) -0.21646(9) 0.0891(12) Uani 1 1 d G U . . .
H58F H 0.0809 0.3679 -0.2319 0.107 Uiso 1 1 calc R U . . .
C59F C 0.12940(13) 0.40322(9) -0.20472(10) 0.0901(12) Uani 1 1 d G U . . .
H59F H 0.1086 0.4221 -0.2123 0.108 Uiso 1 1 calc R U . . .
C60F C 0.17715(14) 0.40753(7) -0.18159(10) 0.0894(12) Uani 1 1 d G U . . .
N11G N 0.1568(2) 0.03993(14) -0.16854(12) 0.1129(13) Uani 1 1 d G U . . .
C12G C 0.1983(2) 0.02021(13) -0.16998(12) 0.1120(14) Uani 1 1 d G U . . .
H12G H 0.2108 0.0032 -0.1542 0.134 Uiso 1 1 calc R U . . .
C13G C 0.2211(2) 0.02588(15) -0.19504(14) 0.1139(14) Uani 1 1 d G U . . .
H13G H 0.2489 0.0127 -0.1960 0.137 Uiso 1 1 calc R U . . .
C14G C 0.2024(2) 0.05128(16) -0.21866(12) 0.1172(13) Uani 1 1 d DG U . . .
C15G C 0.1609(2) 0.07099(14) -0.21721(12) 0.1173(14) Uani 1 1 d G U . . .
H15G H 0.1484 0.0880 -0.2330 0.141 Uiso 1 1 calc R U . . .
C16G C 0.1381(2) 0.06532(14) -0.19216(14) 0.1169(12) Uani 1 1 d G U . . .
C17G C 0.2265(4) 0.0568(2) -0.2460(2) 0.1219(16) Uani 1 1 d D U . . .
H17M H 0.2005 0.0532 -0.2671 0.146 Uiso 1 1 calc R U . . .
H17N H 0.2368 0.0806 -0.2453 0.146 Uiso 1 1 calc R U . . .
O18G O 0.2675(3) 0.03729(18) -0.24596(16) 0.1350(18) Uani 1 1 d D U . . .
H18G H 0.2601 0.0170 -0.2457 0.202 Uiso 1 1 calc R U . . .
N21G N 0.0327(2) 0.09280(17) -0.16617(13) 0.1264(15) Uani 1 1 d G U . . .
N22G N 0.0795(2) 0.07499(15) -0.16116(12) 0.1227(14) Uani 1 1 d G U . . .
C23G C 0.0978(2) 0.08172(18) -0.18888(15) 0.1227(13) Uani 1 1 d G U . . .
C24G C 0.0622(3) 0.10368(18) -0.21103(13) 0.1287(15) Uani 1 1 d G U . . .
H24G H 0.0648 0.1121 -0.2312 0.154 Uiso 1 1 calc R U . . .
C25G C 0.0220(2) 0.11053(17) -0.19699(14) 0.1305(16) Uani 1 1 d G U . . .
H25G H -0.0064 0.1242 -0.2063 0.157 Uiso 1 1 calc R U . . .
N11H N 0.45677(18) -0.00209(10) 0.14969(12) 0.0990(12) Uani 1 1 d G U . . .
C12H C 0.4971(2) -0.01437(12) 0.13922(12) 0.1016(13) Uani 1 1 d G U . . .
H12H H 0.5035 -0.0052 0.1204 0.122 Uiso 1 1 calc R U . . .
C13H C 0.52799(19) -0.04040(13) 0.15689(14) 0.1080(14) Uani 1 1 d G U . . .
H13H H 0.5550 -0.0486 0.1499 0.130 Uiso 1 1 calc R U . . .
C14H C 0.5185(2) -0.05414(12) 0.18503(13) 0.1134(13) Uani 1 1 d DG U . . .
C15H C 0.4782(2) -0.04186(12) 0.19550(12) 0.1095(13) Uani 1 1 d G U . . .
H15H H 0.4718 -0.0511 0.2143 0.131 Uiso 1 1 calc R U . . .
C16H C 0.44729(19) -0.01583(12) 0.17783(13) 0.1026(11) Uani 1 1 d G U . . .
C17H C 0.5565(4) -0.0803(2) 0.2060(2) 0.1260(17) Uani 1 1 d D U . . .
H17O H 0.5465 -0.1030 0.1971 0.151 Uiso 1 1 calc R U . . .
H17P H 0.5901 -0.0756 0.2037 0.151 Uiso 1 1 calc R U . . .
O18H O 0.5597(3) -0.08016(16) 0.23801(17) 0.149(2) Uani 1 1 d D U . . .
H18H H 0.5329 -0.0873 0.2404 0.224 Uiso 1 1 calc R U . . .
N21H N 0.3428(3) 0.02917(16) 0.18177(18) 0.1036(12) Uani 1 1 d . U . . .
N22H N 0.3783(3) 0.02258(15) 0.16724(17) 0.1006(12) Uani 1 1 d . U . . .
C23H C 0.4065(4) -0.00092(19) 0.1869(2) 0.1044(11) Uani 1 1 d . U . . .
C24H C 0.3879(4) -0.0098(2) 0.2130(2) 0.1088(13) Uani 1 1 d . U . . .
H24H H 0.3999 -0.0266 0.2291 0.131 Uiso 1 1 calc R U . . .
C25H C 0.3484(4) 0.0117(2) 0.2098(2) 0.1086(13) Uani 1 1 d . U . . .
H25H H 0.3288 0.0138 0.2243 0.130 Uiso 1 1 calc R U . . .
C26H C 0.3046(3) 0.05740(18) 0.1691(2) 0.1023(15) Uani 1 1 d . U . . .
H26M H 0.2952 0.0576 0.1449 0.123 Uiso 1 1 calc R U . . .
H26N H 0.2741 0.0523 0.1754 0.123 Uiso 1 1 calc R U . . .
B1 B 0.3691(4) 0.1391(3) -0.0555(3) 0.154(2) Uiso 1 1 d D U . . .
F1 F 0.3582(3) 0.1200(2) -0.08400(19) 0.130(2) Uiso 0.626(5) 1 d D U P B 1
F2 F 0.3737(4) 0.1733(2) -0.0614(2) 0.149(3) Uiso 0.626(5) 1 d D U P B 1
F3 F 0.3381(4) 0.1333(2) -0.0373(2) 0.133(3) Uiso 0.626(5) 1 d D U P B 1
F1B F 0.3270(6) 0.1535(4) -0.0803(4) 0.151(3) Uiso 0.374(5) 1 d D U P B 2
F2B F 0.4033(7) 0.1617(5) -0.0602(5) 0.160(2) Uiso 0.374(5) 1 d D U P B 2
F3B F 0.3392(7) 0.1456(5) -0.0335(4) 0.141(4) Uiso 0.374(5) 1 d D U P B 2
F4 F 0.4186(3) 0.12788(17) -0.03638(16) 0.172(2) Uiso 1 1 d D U . . .
B2 B 0.1392(5) 0.1245(3) 0.0424(3) 0.176(2) Uiso 1 1 d D U . . .
F5 F 0.1182(4) 0.1323(3) 0.0100(2) 0.164(3) Uiso 0.626(5) 1 d D U P B 1
F6 F 0.1514(4) 0.0902(2) 0.0467(3) 0.182(3) Uiso 0.626(5) 1 d D U P B 1
F5B F 0.0936(7) 0.1217(5) 0.0192(4) 0.167(3) Uiso 0.374(5) 1 d D U P B 2
F6B F 0.1683(8) 0.1083(5) 0.0260(5) 0.175(4) Uiso 0.374(5) 1 d D U P B 2
F7 F 0.1827(3) 0.1435(2) 0.0552(2) 0.201(3) Uiso 1 1 d D U . . .
F8 F 0.1069(3) 0.13098(18) 0.06106(18) 0.186(2) Uiso 1 1 d D U . . .
B3 B 0.2029(5) 0.0419(4) 0.2282(4) 0.235(3) Uiso 1 1 d D U . . .
F9 F 0.1734(3) 0.0149(2) 0.2245(2) 0.203(3) Uiso 1 1 d D U . . .
F10 F 0.2514(4) 0.0341(2) 0.2395(2) 0.221(3) Uiso 1 1 d D U . . .
F11 F 0.1966(6) 0.0600(3) 0.2016(3) 0.234(4) Uiso 0.626(5) 1 d D U P B 1
F11B F 0.1663(9) 0.0652(6) 0.2200(8) 0.237(3) Uiso 0.374(5) 1 d D U P B 2
F12 F 0.1923(4) 0.0602(2) 0.2525(3) 0.248(3) Uiso 1 1 d D U . . .
B5 B 0.6272(5) 0.0597(4) 0.0479(4) 0.236(3) Uiso 1 1 d D U . . .
F17 F 0.5820(4) 0.0582(2) 0.0266(2) 0.231(3) Uiso 1 1 d D U . . .
F19 F 0.6445(4) 0.0279(3) 0.0527(2) 0.250(3) Uiso 1 1 d D U . . .
F18 F 0.6244(7) 0.0743(5) 0.0753(3) 0.200(4) Uiso 0.626(5) 1 d D U P B 1
F20 F 0.6585(5) 0.0780(4) 0.0362(4) 0.245(4) Uiso 0.626(5) 1 d D U P B 1
F18B F 0.6154(14) 0.0777(9) 0.0703(7) 0.202(4) Uiso 0.374(5) 1 d D U P B 2
F20B F 0.6738(8) 0.0616(8) 0.0462(8) 0.242(3) Uiso 0.374(5) 1 d D U P B 2
C1Z C 0.2207(5) 0.2196(4) -0.0345(3) 0.227(4) Uani 0.5 1 d G U P C -1
H1Z H 0.2140 0.2011 -0.0510 0.273 Uiso 0.5 1 calc R U P C -1
C2Z C 0.2096(5) 0.2549(5) -0.0536(3) 0.228(4) Uani 0.5 1 d G U P C -1
H2Z1 H 0.2323 0.2580 -0.0672 0.274 Uiso 0.5 1 calc R U P C -1
H2Z2 H 0.1747 0.2556 -0.0679 0.274 Uiso 0.5 1 calc R U P C -1
C3Z C 0.2185(5) 0.2824(3) -0.0275(4) 0.228(4) Uani 0.5 1 d G U P C -1
H3Z H 0.2107 0.3048 -0.0382 0.273 Uiso 0.5 1 calc R U P C -1
C4Z C 0.1830(4) 0.2756(4) -0.0039(4) 0.228(4) Uani 0.5 1 d G U P C -1
H4Z1 H 0.1880 0.2941 0.0122 0.273 Uiso 0.5 1 calc R U P C -1
H4Z2 H 0.1475 0.2762 -0.0174 0.273 Uiso 0.5 1 calc R U P C -1
C5Z C 0.1928(4) 0.2429(5) 0.0142(4) 0.227(4) Uani 0.5 1 d G U P C -1
H5Z H 0.1705 0.2396 0.0284 0.272 Uiso 0.5 1 calc R U P C -1
C6Z C 0.1821(4) 0.2168(4) -0.0143(4) 0.228(4) Uani 0.5 1 d G U P C -1
H6Z1 H 0.1478 0.2204 -0.0291 0.273 Uiso 0.5 1 calc R U P C -1
H6Z2 H 0.1836 0.1939 -0.0051 0.273 Uiso 0.5 1 calc R U P C -1
C7Z C 0.2497(4) 0.2421(4) 0.0345(3) 0.224(4) Uani 0.5 1 d G U P C -1
H7Z1 H 0.2564 0.2604 0.0508 0.269 Uiso 0.5 1 calc R U P C -1
H7Z2 H 0.2571 0.2206 0.0465 0.269 Uiso 0.5 1 calc R U P C -1
C8Z C 0.2846(4) 0.2460(2) 0.0131(2) 0.223(4) Uani 0.5 1 d G U P C -1
C9Z C 0.2730(4) 0.2810(2) -0.0073(3) 0.226(4) Uani 0.5 1 d G U P C -1
H9Z1 H 0.2806 0.3002 0.0081 0.271 Uiso 0.5 1 calc R U P C -1
H9Z2 H 0.2946 0.2828 -0.0219 0.271 Uiso 0.5 1 calc R U P C -1
C10Z C 0.2737(5) 0.2172(3) -0.0140(3) 0.226(4) Uani 0.5 1 d G U P C -1
H10A H 0.2963 0.2198 -0.0278 0.271 Uiso 0.5 1 calc R U P C -1
H10B H 0.2799 0.1950 -0.0033 0.271 Uiso 0.5 1 calc R U P C -1
C11Z C 0.3432(4) 0.2452(2) 0.0330(3) 0.214(4) Uani 0.5 1 d G U P C -1
O12Z O 0.3568(5) 0.2383(4) 0.0635(3) 0.215(5) Uiso 0.5 1 d G U P C -1
O13Z O 0.3746(4) 0.2493(4) 0.0162(3) 0.164(4) Uiso 0.5 1 d G U P C -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
Co Co 0.3494 0.9721 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N42A Co1 N11B 166.68(17) . .
N42A Co1 N22E 102.77(16) . .
N11B Co1 N22E 90.53(17) . .
N42A Co1 N22B 100.39(14) . .
N11B Co1 N22B 75.75(16) . .
N22E Co1 N22B 101.56(14) . .
N42A Co1 N11E 89.30(16) . .
N11B Co1 N11E 94.70(18) . .
N22E Co1 N11E 76.47(14) . .
N22B Co1 N11E 170.30(16) . .
N42A Co1 N31A 76.27(17) . .
N11B Co1 N31A 90.83(18) . .
N22E Co1 N31A 169.27(15) . .
N22B Co1 N31A 89.08(16) . .
N11E Co1 N31A 92.81(16) . .
N31B Co2 N11C 171.93(16) . .
N31B Co2 N22C 97.27(17) . .
N11C Co2 N22C 77.28(16) . .
N31B Co2 N11H 90.42(18) . .
N11C Co2 N11H 95.52(18) . .
N22C Co2 N11H 171.08(19) . .
N31B Co2 N22H 95.1(2) . .
N11C Co2 N22H 91.7(2) . .
N22C Co2 N22H 99.1(2) . .
N11H Co2 N22H 75.6(2) . .
N31B Co2 N42B 75.72(16) . .
N11C Co2 N42B 98.87(16) . .
N22C Co2 N42B 97.12(16) . .
N11H Co2 N42B 89.12(16) . .
N22H Co2 N42B 162.24(19) . .
N22A Co3 N11F 100.5(2) . .
N22A Co3 N11A 77.25(18) . .
N11F Co3 N11A 173.93(17) . .
N22A Co3 N22F 95.3(2) . .
N11F Co3 N22F 77.04(16) . .
N11A Co3 N22F 97.44(16) . .
N22A Co3 N42D 161.97(19) . .
N11F Co3 N42D 91.3(2) . .
N11A Co3 N42D 92.19(19) . .
N22F Co3 N42D 100.55(19) . .
N22A Co3 N31D 91.4(2) . .
N11F Co3 N31D 95.3(2) . .
N11A Co3 N31D 90.4(2) . .
N22F Co3 N31D 170.6(2) . .
N42D Co3 N31D 73.9(2) . .
N22G Co4 N11D 100.0(2) . .
N22G Co4 N11G 77.3(2) . .
N11D Co4 N11G 174.2(2) . .
N22G Co4 N42C 160.5(3) . .
N11D Co4 N42C 93.0(2) . .
N11G Co4 N42C 91.0(2) . .
N22G Co4 N22D 94.9(2) . .
N11D Co4 N22D 78.02(17) . .
N11G Co4 N22D 97.0(2) . .
N42C Co4 N22D 102.0(2) . .
N22G Co4 N31C 90.5(3) . .
N11D Co4 N31C 92.0(2) . .
N11G Co4 N31C 93.2(3) . .
N42C Co4 N31C 74.5(3) . .
N22D Co4 N31C 169.3(2) . .
C12A N11A C16A 120.0 . .
C12A N11A Co3 125.3(2) . .
C16A N11A Co3 114.7(2) . .
C13A C12A N11A 120.0 . .
C13A C12A H12A 120.0 . .
N11A C12A H12A 120.0 . .
C12A C13A C14A 120.0 . .
C12A C13A H13A 120.0 . .
C14A C13A H13A 120.0 . .
C15A C14A C13A 120.0 . .
C15A C14A C17A 118.8(4) . .
C13A C14A C17A 121.1(4) . .
C16A C15A C14A 120.0 . .
C16A C15A H15A 120.0 . .
C14A C15A H15A 120.0 . .
C23A C16A C15A 124.3(4) . .
C23A C16A N11A 115.6(4) . .
C15A C16A N11A 120.0 . .
O18A C17A C14A 111.5(6) . .
O18A C17A H17A 109.3 . .
C14A C17A H17A 109.3 . .
O18A C17A H17B 109.3 . .
C14A C17A H17B 109.3 . .
H17A C17A H17B 108.0 . .
C26A N21A C25A 125.5(5) . .
C26A N21A N22A 126.1(5) . .
C25A N21A N22A 108.0 . .
C23A N22A N21A 108.0 . .
C23A N22A Co3 112.3(3) . .
N21A N22A Co3 139.0(3) . .
C16A C23A C24A 132.1(4) . .
C16A C23A N22A 119.8(4) . .
C24A C23A N22A 108.0 . .
C25A C24A C23A 108.0 . .
C25A C24A H24A 126.0 . .
C23A C24A H24A 126.0 . .
C24A C25A N21A 108.0 . .
C24A C25A H25A 126.0 . .
N21A C25A H25A 126.0 . .
N21A C26A C51A 117.5(6) . .
N21A C26A H26A 107.9 . .
C51A C26A H26A 107.9 . .
N21A C26A H26B 107.9 . .
C51A C26A H26B 107.9 . .
H26A C26A H26B 107.2 . .
C32A N31A C36A 120.0 . .
C32A N31A Co1 125.0(3) . .
C36A N31A Co1 115.0(3) . .
C33A C32A N31A 120.0 . .
C33A C32A H32A 120.0 . .
N31A C32A H32A 120.0 . .
C32A C33A C34A 120.0 . .
C32A C33A H33A 120.0 . .
C34A C33A H33A 120.0 . .
C35A C34A C33A 120.0 . .
C35A C34A C37A 126.1(6) . .
C33A C34A C37A 113.8(6) . .
C34A C35A C36A 120.0 . .
C34A C35A H35A 120.0 . .
C36A C35A H35A 120.0 . .
C43A C36A C35A 125.2(4) . .
C43A C36A N31A 114.7(4) . .
C35A C36A N31A 120.0 . .
O38A C37A C34A 96.2(7) . .
O38A C37A H37A 112.5 . .
C34A C37A H37A 112.5 . .
O38A C37A H37B 112.5 . .
C34A C37A H37B 112.5 . .
H37A C37A H37B 110.0 . .
C46A N41A N42A 121.6(4) . .
C46A N41A C45A 130.4(4) . .
N42A N41A C45A 108.0 . .
N41A N42A C43A 108.0 . .
N41A N42A Co1 138.8(2) . .
C43A N42A Co1 112.6(2) . .
C36A C43A N42A 120.4(4) . .
C36A C43A C44A 131.5(4) . .
N42A C43A C44A 108.0 . .
C45A C44A C43A 108.0 . .
C45A C44A H44A 126.0 . .
C43A C44A H44A 126.0 . .
C44A C45A N41A 108.0 . .
C44A C45A H45A 126.0 . .
N41A C45A H45A 126.0 . .
N41A C46A C60A 114.5(4) . .
N41A C46A H46A 108.6 . .
C60A C46A H46A 108.6 . .
N41A C46A H46B 108.6 . .
C60A C46A H46B 108.6 . .
H46A C46A H46B 107.6 . .
C52A C51A C56A 120.0 . .
C52A C51A C26A 119.3(3) . .
C56A C51A C26A 120.6(3) . .
C51A C52A C53A 120.0 . .
C51A C52A H52A 120.0 . .
C53A C52A H52A 120.0 . .
C54A C53A C52A 120.0 . .
C54A C53A H53A 120.0 . .
C52A C53A H53A 120.0 . .
C53A C54A C55A 120.0 . .
C53A C54A H54A 120.0 . .
C55A C54A H54A 120.0 . .
C56A C55A C54A 120.0 . .
C56A C55A C60A 120.0 . .
C54A C55A C60A 120.0 . .
C57A C56A C55A 120.0 . .
C57A C56A C51A 120.0 . .
C55A C56A C51A 120.0 . .
C58A C57A C56A 120.0 . .
C58A C57A H57A 120.0 . .
C56A C57A H57A 120.0 . .
C57A C58A C59A 120.0 . .
C57A C58A H58A 120.0 . .
C59A C58A H58A 120.0 . .
C58A C59A C60A 120.0 . .
C58A C59A H59A 120.0 . .
C60A C59A H59A 120.0 . .
C59A C60A C55A 120.0 . .
C59A C60A C46A 119.7(3) . .
C55A C60A C46A 120.2(3) . .
C12B N11B C16B 120.0 . .
C12B N11B Co1 124.2(2) . .
C16B N11B Co1 115.1(2) . .
N11B C12B C13B 120.0 . .
N11B C12B H12B 120.0 . .
C13B C12B H12B 120.0 . .
C14B C13B C12B 120.0 . .
C14B C13B H13B 120.0 . .
C12B C13B H13B 120.0 . .
C13B C14B C15B 120.0 . .
C13B C14B C17B 123.4(5) . .
C15B C14B C17B 116.6(5) . .
C16B C15B C14B 120.0 . .
C16B C15B H15B 120.0 . .
C14B C15B H15B 120.0 . .
C23B C16B C15B 122.8(4) . .
C23B C16B N11B 117.1(4) . .
C15B C16B N11B 120.0 . .
O18B C17B C14B 115.5(9) . .
O18B C17B H17C 108.4 . .
C14B C17B H17C 108.4 . .
O18B C17B H17D 108.4 . .
C14B C17B H17D 108.4 . .
H17C C17B H17D 107.5 . .
C17B O18B H18B 109.5 . .
C26B N21B C25B 128.7(3) . .
C26B N21B N22B 122.8(3) . .
C25B N21B N22B 108.0 . .
N21B N22B C23B 108.0 . .
N21B N22B Co1 138.5(2) . .
C23B N22B Co1 113.2(2) . .
C16B C23B C24B 134.1(4) . .
C16B C23B N22B 117.8(4) . .
C24B C23B N22B 108.0 . .
C23B C24B C25B 108.0 . .
C23B C24B H24B 126.0 . .
C25B C24B H24B 126.0 . .
N21B C25B C24B 108.0 . .
N21B C25B H25B 126.0 . .
C24B C25B H25B 126.0 . .
N21B C26B C51B 116.3(5) . .
N21B C26B H26C 108.2 . .
C51B C26B H26C 108.2 . .
N21B C26B H26D 108.2 . .
C51B C26B H26D 108.2 . .
H26C C26B H26D 107.4 . .
C32B N31B C36B 120.0 . .
C32B N31B Co2 124.7(2) . .
C36B N31B Co2 115.2(2) . .
C33B C32B N31B 120.0 . .
C33B C32B H32B 120.0 . .
N31B C32B H32B 120.0 . .
C32B C33B C34B 120.0 . .
C32B C33B H33B 120.0 . .
C34B C33B H33B 120.0 . .
C35B C34B C33B 120.0 . .
C35B C34B C37B 117.7(4) . .
C33B C34B C37B 122.3(4) . .
C34B C35B C36B 120.0 . .
C34B C35B H35B 120.0 . .
C36B C35B H35B 120.0 . .
C43B C36B C35B 121.3(4) . .
C43B C36B N31B 118.7(4) . .
C35B C36B N31B 120.0 . .
O38B C37B C34B 113.3(7) . .
O38B C37B H37C 108.9 . .
C34B C37B H37C 108.9 . .
O38B C37B H37D 108.9 . .
C34B C37B H37D 108.9 . .
H37C C37B H37D 107.7 . .
C37B O38B H38B 109.5 . .
C46B N41B C45B 127.2(4) . .
C46B N41B N42B 124.0(4) . .
C45B N41B N42B 108.0 . .
N41B N42B C43B 108.0 . .
N41B N42B Co2 137.2(2) . .
C43B N42B Co2 113.6(2) . .
C36B C43B C44B 135.1(4) . .
C36B C43B N42B 116.5(4) . .
C44B C43B N42B 108.0 . .
C43B C44B C45B 108.0 . .
C43B C44B H44B 126.0 . .
C45B C44B H44B 126.0 . .
N41B C45B C44B 108.0 . .
N41B C45B H45B 126.0 . .
C44B C45B H45B 126.0 . .
N41B C46B C60B 113.8(5) . .
N41B C46B H46C 108.8 . .
C60B C46B H46C 108.8 . .
N41B C46B H46D 108.8 . .
C60B C46B H46D 108.8 . .
H46C C46B H46D 107.7 . .
C52B C51B C56B 120.0 . .
C52B C51B C26B 119.5(3) . .
C56B C51B C26B 120.5(3) . .
C53B C52B C51B 120.0 . .
C53B C52B H52B 120.0 . .
C51B C52B H52B 120.0 . .
C52B C53B C54B 120.0 . .
C52B C53B H53B 120.0 . .
C54B C53B H53B 120.0 . .
C55B C54B C53B 120.0 . .
C55B C54B H54B 120.0 . .
C53B C54B H54B 120.0 . .
C56B C55B C54B 120.0 . .
C56B C55B C60B 120.0 . .
C54B C55B C60B 120.0 . .
C57B C56B C55B 120.0 . .
C57B C56B C51B 120.0 . .
C55B C56B C51B 120.0 . .
C56B C57B C58B 120.0 . .
C56B C57B H57B 120.0 . .
C58B C57B H57B 120.0 . .
C59B C58B C57B 120.0 . .
C59B C58B H58B 120.0 . .
C57B C58B H58B 120.0 . .
C60B C59B C58B 120.0 . .
C60B C59B H59B 120.0 . .
C58B C59B H59B 120.0 . .
C59B C60B C55B 120.0 . .
C59B C60B C46B 119.1(3) . .
C55B C60B C46B 120.9(3) . .
C12C N11C C16C 120.0 . .
C12C N11C Co2 125.7(2) . .
C16C N11C Co2 114.3(2) . .
N11C C12C C13C 120.0 . .
N11C C12C H12C 120.0 . .
C13C C12C H12C 120.0 . .
C14C C13C C12C 120.0 . .
C14C C13C H13C 120.0 . .
C12C C13C H13C 120.0 . .
C15C C14C C13C 120.0 . .
C15C C14C C17C 119.5(4) . .
C13C C14C C17C 120.5(4) . .
C16C C15C C14C 120.0 . .
C16C C15C H15C 120.0 . .
C14C C15C H15C 120.0 . .
C23C C16C C15C 123.0(3) . .
C23C C16C N11C 116.9(3) . .
C15C C16C N11C 120.0 . .
O18C C17C C14C 113.0(6) . .
O18C C17C H17E 109.0 . .
C14C C17C H17E 109.0 . .
O18C C17C H17F 109.0 . .
C14C C17C H17F 109.0 . .
H17E C17C H17F 107.8 . .
C17C O18C H18C 109.5 . .
C26C N21C N22C 123.7(4) . .
C26C N21C C25C 128.2(4) . .
N22C N21C C25C 108.0 . .
N21C N22C C23C 108.0 . .
N21C N22C Co2 141.4(2) . .
C23C N22C Co2 110.4(2) . .
C16C C23C C24C 131.4(4) . .
C16C C23C N22C 120.6(4) . .
C24C C23C N22C 108.0 . .
C25C C24C C23C 108.0 . .
C25C C24C H24C 126.0 . .
C23C C24C H24C 126.0 . .
C24C C25C N21C 108.0 . .
C24C C25C H25C 126.0 . .
N21C C25C H25C 126.0 . .
N21C C26C C51C 113.5(5) . .
N21C C26C H26E 108.9 . .
C51C C26C H26E 108.9 . .
N21C C26C H26F 108.9 . .
C51C C26C H26F 108.9 . .
H26E C26C H26F 107.7 . .
C32C N31C C36C 120.0 . .
C32C N31C Co4 126.8(4) . .
C36C N31C Co4 113.2(4) . .
N31C C32C C33C 120.0 . .
N31C C32C H32C 120.0 . .
C33C C32C H32C 120.0 . .
C34C C33C C32C 120.0 . .
C34C C33C H33C 120.0 . .
C32C C33C H33C 120.0 . .
C33C C34C C35C 120.0 . .
C33C C34C C37C 121.2(6) . .
C35C C34C C37C 118.8(6) . .
C36C C35C C34C 120.0 . .
C36C C35C H35C 120.0 . .
C34C C35C H35C 120.0 . .
C43C C36C C35C 120.2(7) . .
C43C C36C N31C 119.8(7) . .
C35C C36C N31C 120.0 . .
O38C C37C C34C 94.9(8) . .
O38C C37C H37E 112.8 . .
C34C C37C H37E 112.8 . .
O38C C37C H37F 112.8 . .
C34C C37C H37F 112.8 . .
H37E C37C H37F 110.2 . .
C46C N41C C45C 130.5(6) . .
C46C N41C N42C 121.1(6) . .
C45C N41C N42C 108.0 . .
N41C N42C C43C 108.0 . .
N41C N42C Co4 137.3(4) . .
C43C N42C Co4 114.7(4) . .
C36C C43C N42C 117.8(7) . .
C36C C43C C44C 134.2(7) . .
N42C C43C C44C 108.0 . .
C45C C44C C43C 108.0 . .
C45C C44C H44C 126.0 . .
C43C C44C H44C 126.0 . .
N41C C45C C44C 108.0 . .
N41C C45C H45C 126.0 . .
C44C C45C H45C 126.0 . .
N41C C46C C60C 114.4(7) . .
N41C C46C H46E 108.7 . .
C60C C46C H46E 108.7 . .
N41C C46C H46F 108.7 . .
C60C C46C H46F 108.7 . .
H46E C46C H46F 107.6 . .
C52C C51C C56C 120.0 . .
C52C C51C C26C 117.9(3) . .
C56C C51C C26C 122.0(3) . .
C53C C52C C51C 120.0 . .
C53C C52C H52C 120.0 . .
C51C C52C H52C 120.0 . .
C52C C53C C54C 120.0 . .
C52C C53C H53C 120.0 . .
C54C C53C H53C 120.0 . .
C53C C54C C55C 120.0 . .
C53C C54C H54C 120.0 . .
C55C C54C H54C 120.0 . .
C56C C55C C54C 120.0 . .
C56C C55C C60C 120.0 . .
C54C C55C C60C 120.0 . .
C55C C56C C57C 120.0 . .
C55C C56C C51C 120.0 . .
C57C C56C C51C 120.0 . .
C58C C57C C56C 120.0 . .
C58C C57C H57C 120.0 . .
C56C C57C H57C 120.0 . .
C57C C58C C59C 120.0 . .
C57C C58C H58C 120.0 . .
C59C C58C H58C 120.0 . .
C60C C59C C58C 120.0 . .
C60C C59C H59C 120.0 . .
C58C C59C H59C 120.0 . .
C59C C60C C55C 120.0 . .
C59C C60C C46C 121.3(4) . .
C55C C60C C46C 118.7(4) . .
C12D N11D C16D 120.0 . .
C12D N11D Co4 126.1(3) . .
C16D N11D Co4 113.9(3) . .
C13D C12D N11D 120.0 . .
C13D C12D H12D 120.0 . .
N11D C12D H12D 120.0 . .
C12D C13D C14D 120.0 . .
C12D C13D H13D 120.0 . .
C14D C13D H13D 120.0 . .
C15D C14D C13D 120.0 . .
C15D C14D C17D 118.5(5) . .
C13D C14D C17D 121.4(5) . .
C14D C15D C16D 120.0 . .
C14D C15D H15D 120.0 . .
C16D C15D H15D 120.0 . .
C23D C16D C15D 122.0(4) . .
C23D C16D N11D 117.9(4) . .
C15D C16D N11D 120.0 . .
O18D C17D C14D 112.8(7) . .
O18D C17D H17G 109.0 . .
C14D C17D H17G 109.0 . .
O18D C17D H17H 109.0 . .
C14D C17D H17H 109.0 . .
H17G C17D H17H 107.8 . .
C26D N21D N22D 124.4(5) . .
C26D N21D C25D 126.7(4) . .
N22D N21D C25D 108.0 . .
N21D N22D C23D 108.0 . .
N21D N22D Co4 141.1(2) . .
C23D N22D Co4 110.9(2) . .
C16D C23D C24D 132.6(4) . .
C16D C23D N22D 119.1(4) . .
C24D C23D N22D 108.0 . .
C23D C24D C25D 108.0 . .
C23D C24D H24D 126.0 . .
C25D C24D H24D 126.0 . .
N21D C25D C24D 108.0 . .
N21D C25D H25D 126.0 . .
C24D C25D H25D 126.0 . .
N21D C26D C51D 113.6(5) . .
N21D C26D H26G 108.8 . .
C51D C26D H26G 108.8 . .
N21D C26D H26H 108.8 . .
C51D C26D H26H 108.8 . .
H26G C26D H26H 107.7 . .
C32D N31D C36D 120.0 . .
C32D N31D Co3 124.5(3) . .
C36D N31D Co3 115.2(3) . .
N31D C32D C33D 120.0 . .
N31D C32D H32D 120.0 . .
C33D C32D H32D 120.0 . .
C32D C33D C34D 120.0 . .
C32D C33D H33D 120.0 . .
C34D C33D H33D 120.0 . .
C33D C34D C35D 120.0 . .
C33D C34D C37D 122.2(6) . .
C35D C34D C37D 117.7(6) . .
C36D C35D C34D 120.0 . .
C36D C35D H35D 120.0 . .
C34D C35D H35D 120.0 . .
C43D C36D C35D 121.6(5) . .
C43D C36D N31D 118.4(5) . .
C35D C36D N31D 120.0 . .
O38D C37D C34D 109.8(9) . .
O38D C37D H37G 109.7 . .
C34D C37D H37G 109.7 . .
O38D C37D H37H 109.7 . .
C34D C37D H37H 109.7 . .
H37G C37D H37H 108.2 . .
C37D O38D H38D 109.5 . .
C46D N41D N42D 121.2(6) . .
C46D N41D C45D 130.2(5) . .
N42D N41D C45D 108.0 . .
C43D N42D N41D 108.0 . .
C43D N42D Co3 114.6(3) . .
N41D N42D Co3 137.2(3) . .
C36D C43D N42D 117.7(5) . .
C36D C43D C44D 134.3(5) . .
N42D C43D C44D 108.0 . .
C45D C44D C43D 108.0 . .
C45D C44D H44D 126.0 . .
C43D C44D H44D 126.0 . .
C44D C45D N41D 108.0 . .
C44D C45D H45D 126.0 . .
N41D C45D H45D 126.0 . .
N41D C46D C60D 115.1(6) . .
N41D C46D H46G 108.5 . .
C60D C46D H46G 108.5 . .
N41D C46D H46H 108.5 . .
C60D C46D H46H 108.5 . .
H46G C46D H46H 107.5 . .
C52D C51D C56D 120.0 . .
C52D C51D C26D 117.7(3) . .
C56D C51D C26D 122.2(3) . .
C51D C52D C53D 120.0 . .
C51D C52D H52D 120.0 . .
C53D C52D H52D 120.0 . .
C54D C53D C52D 120.0 . .
C54D C53D H53D 120.0 . .
C52D C53D H53D 120.0 . .
C55D C54D C53D 120.0 . .
C55D C54D H54D 120.0 . .
C53D C54D H54D 120.0 . .
C54D C55D C56D 120.0 . .
C54D C55D C60D 120.0 . .
C56D C55D C60D 120.0 . .
C57D C56D C55D 120.0 . .
C57D C56D C51D 120.0 . .
C55D C56D C51D 120.0 . .
C56D C57D C58D 120.0 . .
C56D C57D H57D 120.0 . .
C58D C57D H57D 120.0 . .
C57D C58D C59D 120.0 . .
C57D C58D H58D 120.0 . .
C59D C58D H58D 120.0 . .
C58D C59D C60D 120.0 . .
C58D C59D H59D 120.0 . .
C60D C59D H59D 120.0 . .
C59D C60D C55D 120.0 . .
C59D C60D C46D 121.0(3) . .
C55D C60D C46D 118.9(3) . .
C12E N11E C16E 120.0 . .
C12E N11E Co1 125.44(19) . .
C16E N11E Co1 114.54(19) . .
N11E C12E C13E 120.0 . .
N11E C12E H12E 120.0 . .
C13E C12E H12E 120.0 . .
C14E C13E C12E 120.0 . .
C14E C13E H13E 120.0 . .
C12E C13E H13E 120.0 . .
C13E C14E C15E 120.0 . .
C13E C14E C17E 121.5(4) . .
C15E C14E C17E 118.4(4) . .
C14E C15E C16E 120.0 . .
C14E C15E H15E 120.0 . .
C16E C15E H15E 120.0 . .
C23E C16E C15E 123.3(3) . .
C23E C16E N11E 116.6(3) . .
C15E C16E N11E 120.0 . .
O18E C17E C14E 113.8(7) . .
O18E C17E H17I 108.8 . .
C14E C17E H17I 108.8 . .
O18E C17E H17J 108.8 . .
C14E C17E H17J 108.8 . .
H17I C17E H17J 107.7 . .
C17E O18E H18E 109.5 . .
C26E N21E N22E 121.5(4) . .
C26E N21E C25E 130.4(4) . .
N22E N21E C25E 108.0 . .
C23E N22E N21E 108.0 . .
C23E N22E Co1 112.87(19) . .
N21E N22E Co1 138.6(2) . .
C16E C23E N22E 119.0(3) . .
C16E C23E C24E 133.0(3) . .
N22E C23E C24E 108.0 . .
C25E C24E C23E 108.0 . .
C25E C24E H24E 126.0 . .
C23E C24E H24E 126.0 . .
C24E C25E N21E 108.0 . .
C24E C25E H25E 126.0 . .
N21E C25E H25E 126.0 . .
N21E C26E C51E 113.0(5) . .
N21E C26E H26I 109.0 . .
C51E C26E H26I 109.0 . .
N21E C26E H26J 109.0 . .
C51E C26E H26J 109.0 . .
H26I C26E H26J 107.8 . .
N21G C46E C60E 118.0(7) 7 .
N21G C46E H46I 107.8 7 .
C60E C46E H46I 107.8 . .
N21G C46E H46J 107.8 7 .
C60E C46E H46J 107.8 . .
H46I C46E H46J 107.1 . .
C52E C51E C56E 120.0 . .
C52E C51E C26E 120.0(3) . .
C56E C51E C26E 120.0(3) . .
C51E C52E C53E 120.0 . .
C51E C52E H52E 120.0 . .
C53E C52E H52E 120.0 . .
C52E C53E C54E 120.0 . .
C52E C53E H53E 120.0 . .
C54E C53E H53E 120.0 . .
C53E C54E C55E 120.0 . .
C53E C54E H54E 120.0 . .
C55E C54E H54E 120.0 . .
C56E C55E C54E 120.0 . .
C56E C55E C60E 120.0 . .
C54E C55E C60E 120.0 . .
C55E C56E C57E 120.0 . .
C55E C56E C51E 120.0 . .
C57E C56E C51E 120.0 . .
C58E C57E C56E 120.0 . .
C58E C57E H57E 120.0 . .
C56E C57E H57E 120.0 . .
C57E C58E C59E 120.0 . .
C57E C58E H58E 120.0 . .
C59E C58E H58E 120.0 . .
C60E C59E C58E 120.0 . .
C60E C59E H59E 120.0 . .
C58E C59E H59E 120.0 . .
C59E C60E C55E 120.0 . .
C59E C60E C46E 118.2(4) . .
C55E C60E C46E 121.8(4) . .
C12F N11F C16F 120.0 . .
C12F N11F Co3 125.4(2) . .
C16F N11F Co3 114.6(2) . .
C13F C12F N11F 120.0 . .
C13F C12F H12F 120.0 . .
N11F C12F H12F 120.0 . .
C14F C13F C12F 120.0 . .
C14F C13F H13F 120.0 . .
C12F C13F H13F 120.0 . .
C13F C14F C15F 120.0 . .
C13F C14F C17F 122.7(4) . .
C15F C14F C17F 117.3(4) . .
C16F C15F C14F 120.0 . .
C16F C15F H15F 120.0 . .
C14F C15F H15F 120.0 . .
C23F C16F C15F 122.9(3) . .
C23F C16F N11F 117.0(3) . .
C15F C16F N11F 120.0 . .
O18F C17F C14F 111.2(6) . .
O18F C17F H17K 109.4 . .
C14F C17F H17K 109.4 . .
O18F C17F H17L 109.4 . .
C14F C17F H17L 109.4 . .
H17K C17F H17L 108.0 . .
C26F N21F N22F 124.9(4) . .
C26F N21F C25F 126.3(4) . .
N22F N21F C25F 108.0 . .
C23F N22F N21F 108.0 . .
C23F N22F Co3 111.6(2) . .
N21F N22F Co3 140.2(2) . .
C16F C23F C24F 133.0(3) . .
C16F C23F N22F 118.7(3) . .
C24F C23F N22F 108.0 . .
C23F C24F C25F 108.0 . .
C23F C24F H24F 126.0 . .
C25F C24F H24F 126.0 . .
C24F C25F N21F 108.0 . .
C24F C25F H25F 126.0 . .
N21F C25F H25F 126.0 . .
N21F C26F C51F 115.6(6) . .
N21F C26F H26K 108.4 . .
C51F C26F H26K 108.4 . .
N21F C26F H26L 108.4 . .
C51F C26F H26L 108.4 . .
H26K C26F H26L 107.4 . .
C52F C51F C56F 120.0 . .
C52F C51F C26F 117.9(3) . .
C56F C51F C26F 122.1(3) . .
C51F C52F C53F 120.0 . .
C51F C52F H52F 120.0 . .
C53F C52F H52F 120.0 . .
C54F C53F C52F 120.0 . .
C54F C53F H53F 120.0 . .
C52F C53F H53F 120.0 . .
C53F C54F C55F 120.0 . .
C53F C54F H54F 120.0 . .
C55F C54F H54F 120.0 . .
C54F C55F C56F 120.0 . .
C54F C55F C60F 120.0 . .
C56F C55F C60F 120.0 . .
C57F C56F C55F 120.0 . .
C57F C56F C51F 120.0 . .
C55F C56F C51F 120.0 . .
C56F C57F C58F 120.0 . .
C56F C57F H57F 120.0 . .
C58F C57F H57F 120.0 . .
C57F C58F C59F 120.0 . .
C57F C58F H58F 120.0 . .
C59F C58F H58F 120.0 . .
C60F C59F C58F 120.0 . .
C60F C59F H59F 120.0 . .
C58F C59F H59F 120.0 . .
C59F C60F C55F 120.0 . .
C59F C60F C26H 120.1(4) . 7
C55F C60F C26H 119.8(4) . 7
C12G N11G C16G 120.0 . .
C12G N11G Co4 124.7(3) . .
C16G N11G Co4 115.2(3) . .
N11G C12G C13G 120.0 . .
N11G C12G H12G 120.0 . .
C13G C12G H12G 120.0 . .
C14G C13G C12G 120.0 . .
C14G C13G H13G 120.0 . .
C12G C13G H13G 120.0 . .
C15G C14G C13G 120.0 . .
C15G C14G C17G 120.3(5) . .
C13G C14G C17G 119.7(5) . .
C16G C15G C14G 120.0 . .
C16G C15G H15G 120.0 . .
C14G C15G H15G 120.0 . .
C23G C16G C15G 125.3(5) . .
C23G C16G N11G 114.7(5) . .
C15G C16G N11G 120.0 . .
O18G C17G C14G 118.1(8) . .
O18G C17G H17M 107.8 . .
C14G C17G H17M 107.8 . .
O18G C17G H17N 107.8 . .
C14G C17G H17N 107.8 . .
H17M C17G H17N 107.1 . .
C17G O18G H18G 109.5 . .
C46E N21G N22G 121.3(5) 7 .
C46E N21G C25G 129.7(5) 7 .
N22G N21G C25G 108.0 . .
C23G N22G N21G 108.0 . .
C23G N22G Co4 112.4(3) . .
N21G N22G Co4 138.5(3) . .
C16G C23G N22G 120.2(5) . .
C16G C23G C24G 131.3(5) . .
N22G C23G C24G 108.0 . .
C25G C24G C23G 108.0 . .
C25G C24G H24G 126.0 . .
C23G C24G H24G 126.0 . .
C24G C25G N21G 108.0 . .
C24G C25G H25G 126.0 . .
N21G C25G H25G 126.0 . .
C12H N11H C16H 120.0 . .
C12H N11H Co2 125.4(2) . .
C16H N11H Co2 114.5(2) . .
C13H C12H N11H 120.0 . .
C13H C12H H12H 120.0 . .
N11H C12H H12H 120.0 . .
C12H C13H C14H 120.0 . .
C12H C13H H13H 120.0 . .
C14H C13H H13H 120.0 . .
C13H C14H C15H 120.0 . .
C13H C14H C17H 118.5(5) . .
C15H C14H C17H 121.2(5) . .
C16H C15H C14H 120.0 . .
C16H C15H H15H 120.0 . .
C14H C15H H15H 120.0 . .
C15H C16H N11H 120.0 . .
C15H C16H C23H 124.4(4) . .
N11H C16H C23H 115.5(4) . .
O18H C17H C14H 114.1(7) . .
O18H C17H H17O 108.7 . .
C14H C17H H17O 108.7 . .
O18H C17H H17P 108.7 . .
C14H C17H H17P 108.7 . .
H17O C17H H17P 107.6 . .
C17H O18H H18H 109.5 . .
N22H N21H C25H 113.5(7) . .
N22H N21H C26H 120.7(6) . .
C25H N21H C26H 125.3(7) . .
N21H N22H C23H 102.9(6) . .
N21H N22H Co2 141.9(5) . .
C23H N22H Co2 115.2(5) . .
N22H C23H C24H 112.7(8) . .
N22H C23H C16H 118.9(7) . .
C24H C23H C16H 128.1(7) . .
C25H C24H C23H 103.6(8) . .
C25H C24H H24H 128.2 . .
C23H C24H H24H 128.2 . .
N21H C25H C24H 107.0(8) . .
N21H C25H H25H 126.5 . .
C24H C25H H25H 126.5 . .
C60F C26H N21H 115.0(10) 7 .
C60F C26H H26M 108.5 7 .
N21H C26H H26M 108.5 . .
C60F C26H H26N 108.5 7 .
N21H C26H H26N 108.5 . .
H26M C26H H26N 107.5 . .
F3 B1 F1 113.7(9) . .
F3 B1 F2 112.2(9) . .
F1 B1 F2 112.6(8) . .
F2B B1 F1B 94.7(13) . .
F3 B1 F4 106.8(9) . .
F2B B1 F4 72.4(10) . .
F1 B1 F4 104.6(8) . .
F2 B1 F4 106.2(8) . .
F1B B1 F4 164.9(11) . .
F2B B1 F3B 122.3(14) . .
F1B B1 F3B 84.6(12) . .
F4 B1 F3B 108.8(12) . .
B1 F2B F4 56.2(8) . .
B1 F4 F2B 51.4(6) . .
F5B B2 F6B 99.0(15) . .
F5B B2 F8 78.9(11) . .
F5 B2 F8 112.3(10) . .
F6B B2 F8 162.7(14) . .
F5B B2 F7 147.5(14) . .
F5 B2 F7 109.8(10) . .
F6B B2 F7 83.1(11) . .
F8 B2 F7 107.9(9) . .
F5 B2 F6 111.6(10) . .
F8 B2 F6 105.9(9) . .
F7 B2 F6 109.1(9) . .
B2 F5B F8 51.2(8) . .
B2 F8 F5B 49.8(6) . .
F11 B3 F10 107.6(11) . .
F11 B3 F9 114.6(12) . .
F10 B3 F9 112.5(11) . .
F10 B3 F11B 149.9(18) . .
F9 B3 F11B 97.5(16) . .
F11 B3 F12 111.0(11) . .
F10 B3 F12 105.9(11) . .
F9 B3 F12 104.9(10) . .
F11B B3 F12 60.8(13) . .
B3 F11B F12 60.3(11) . .
B3 F12 F11B 58.9(8) . .
F18B B5 F17 98(2) . .
F18B B5 F20B 118(3) . .
F17 B5 F20B 135.8(19) . .
F17 B5 F18 109.7(12) . .
F17 B5 F20 111.3(12) . .
F18 B5 F20 107.7(12) . .
F18B B5 F19 124(2) . .
F17 B5 F19 106.6(11) . .
F20B B5 F19 75.3(16) . .
F18 B5 F19 112.8(12) . .
F20 B5 F19 108.8(11) . .
B5 F19 F20B 51.6(8) . .
B5 F20B F19 53.1(10) . .
C10Z C1Z C6Z 113.3 . .
C10Z C1Z C2Z 111.4 . .
C6Z C1Z C2Z 106.3 . .
C10Z C1Z H1Z 108.6 . .
C6Z C1Z H1Z 108.6 . .
C2Z C1Z H1Z 108.6 . .
C3Z C2Z C1Z 107.0 . .
C3Z C2Z H2Z1 110.3 . .
C1Z C2Z H2Z1 110.3 . .
C3Z C2Z H2Z2 110.3 . .
C1Z C2Z H2Z2 110.3 . .
H2Z1 C2Z H2Z2 108.6 . .
C9Z C3Z C2Z 108.0 . .
C9Z C3Z C4Z 109.4 . .
C2Z C3Z C4Z 109.5 . .
C9Z C3Z H3Z 110.0 . .
C2Z C3Z H3Z 110.0 . .
C4Z C3Z H3Z 110.0 . .
C5Z C4Z C3Z 114.2 . .
C5Z C4Z H4Z1 108.7 . .
C3Z C4Z H4Z1 108.7 . .
C5Z C4Z H4Z2 108.7 . .
C3Z C4Z H4Z2 108.7 . .
H4Z1 C4Z H4Z2 107.6 . .
C4Z C5Z C6Z 102.3 . .
C4Z C5Z C7Z 107.7 . .
C6Z C5Z C7Z 110.4 . .
C4Z C5Z H5Z 112.0 . .
C6Z C5Z H5Z 112.0 . .
C7Z C5Z H5Z 112.0 . .
C5Z C6Z C1Z 112.0 . .
C5Z C6Z H6Z1 109.2 . .
C1Z C6Z H6Z1 109.2 . .
C5Z C6Z H6Z2 109.2 . .
C1Z C6Z H6Z2 109.2 . .
H6Z1 C6Z H6Z2 107.9 . .
C8Z C7Z C5Z 112.8 . .
C8Z C7Z H7Z1 109.0 . .
C5Z C7Z H7Z1 109.0 . .
C8Z C7Z H7Z2 109.0 . .
C5Z C7Z H7Z2 109.0 . .
H7Z1 C7Z H7Z2 107.8 . .
C7Z C8Z C10Z 110.1 . .
C7Z C8Z C11Z 114.3 . .
C10Z C8Z C11Z 108.4 . .
C7Z C8Z C9Z 110.2 . .
C10Z C8Z C9Z 105.3 . .
C11Z C8Z C9Z 108.2 . .
C3Z C9Z C8Z 110.2 . .
C3Z C9Z H9Z1 109.6 . .
C8Z C9Z H9Z1 109.6 . .
C3Z C9Z H9Z2 109.6 . .
C8Z C9Z H9Z2 109.6 . .
H9Z1 C9Z H9Z2 108.1 . .
C1Z C10Z C8Z 109.1 . .
C1Z C10Z H10A 109.9 . .
C8Z C10Z H10A 109.9 . .
C1Z C10Z H10B 109.9 . .
C8Z C10Z H10B 109.9 . .
H10A C10Z H10B 108.3 . .
O12Z C11Z O13Z 123.3 . .
O12Z C11Z C8Z 119.5 . .
O13Z C11Z C8Z 117.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 N42A 2.110(3) .
Co1 N11B 2.117(3) .
Co1 N22E 2.122(3) .
Co1 N22B 2.127(3) .
Co1 N11E 2.143(3) .
Co1 N31A 2.165(3) .
Co2 N31B 2.125(3) .
Co2 N11C 2.129(3) .
Co2 N22C 2.158(3) .
Co2 N11H 2.160(3) .
Co2 N22H 2.164(7) .
Co2 N42B 2.169(3) .
Co3 N22A 2.088(4) .
Co3 N11F 2.113(3) .
Co3 N11A 2.115(3) .
Co3 N22F 2.139(3) .
Co3 N42D 2.184(5) .
Co3 N31D 2.192(4) .
Co4 N22G 2.080(4) .
Co4 N11D 2.108(3) .
Co4 N11G 2.111(4) .
Co4 N42C 2.146(5) .
Co4 N22D 2.147(3) .
Co4 N31C 2.195(5) .
N11A C12A 1.3900 .
N11A C16A 1.3900 .
C12A C13A 1.3900 .
C12A H12A 0.9300 .
C13A C14A 1.3900 .
C13A H13A 0.9300 .
C14A C15A 1.3900 .
C14A C17A 1.503(7) .
C15A C16A 1.3900 .
C15A H15A 0.9300 .
C16A C23A 1.313(5) .
C17A O18A 1.372(8) .
C17A H17A 0.9700 .
C17A H17B 0.9700 .
N21A C26A 1.366(8) .
N21A C25A 1.4200 .
N21A N22A 1.4200 .
N22A C23A 1.4200 .
C23A C24A 1.4200 .
C24A C25A 1.4200 .
C24A H24A 0.9300 .
C25A H25A 0.9300 .
C26A C51A 1.500(7) .
C26A H26A 0.9700 .
C26A H26B 0.9700 .
N31A C32A 1.3900 .
N31A C36A 1.3900 .
C32A C33A 1.3900 .
C32A H32A 0.9300 .
C33A C34A 1.3900 .
C33A H33A 0.9300 .
C34A C35A 1.3900 .
C34A C37A 1.573(8) .
C35A C36A 1.3900 .
C35A H35A 0.9300 .
C36A C43A 1.339(5) .
C37A O38A 1.347(10) .
C37A H37A 0.9700 .
C37A H37B 0.9700 .
N41A C46A 1.368(7) .
N41A N42A 1.4200 .
N41A C45A 1.4200 .
N42A C43A 1.4200 .
C43A C44A 1.4200 .
C44A C45A 1.4200 .
C44A H44A 0.9300 .
C45A H45A 0.9300 .
C46A C60A 1.529(6) .
C46A H46A 0.9700 .
C46A H46B 0.9700 .
C51A C52A 1.3900 .
C51A C56A 1.3900 .
C52A C53A 1.3900 .
C52A H52A 0.9300 .
C53A C54A 1.3900 .
C53A H53A 0.9300 .
C54A C55A 1.3900 .
C54A H54A 0.9300 .
C55A C56A 1.3900 .
C55A C60A 1.3900 .
C56A C57A 1.3900 .
C57A C58A 1.3900 .
C57A H57A 0.9300 .
C58A C59A 1.3900 .
C58A H58A 0.9300 .
C59A C60A 1.3900 .
C59A H59A 0.9300 .
N11B C12B 1.3900 .
N11B C16B 1.3900 .
C12B C13B 1.3900 .
C12B H12B 0.9300 .
C13B C14B 1.3900 .
C13B H13B 0.9300 .
C14B C15B 1.3900 .
C14B C17B 1.517(9) .
C15B C16B 1.3900 .
C15B H15B 0.9300 .
C16B C23B 1.310(4) .
C17B O18B 1.301(10) .
C17B H17C 0.9700 .
C17B H17D 0.9700 .
O18B H18B 0.8200 .
N21B C26B 1.356(6) .
N21B C25B 1.4200 .
N21B N22B 1.4200 .
N22B C23B 1.4200 .
C23B C24B 1.4200 .
C24B C25B 1.4200 .
C24B H24B 0.9300 .
C25B H25B 0.9300 .
C26B C51B 1.495(6) .
C26B H26C 0.9700 .
C26B H26D 0.9700 .
N31B C32B 1.3900 .
N31B C36B 1.3900 .
C32B C33B 1.3900 .
C32B H32B 0.9300 .
C33B C34B 1.3900 .
C33B H33B 0.9300 .
C34B C35B 1.3900 .
C34B C37B 1.512(8) .
C35B C36B 1.3900 .
C35B H35B 0.9300 .
C36B C43B 1.331(4) .
C37B O38B 1.378(8) .
C37B H37C 0.9700 .
C37B H37D 0.9700 .
O38B H38B 0.8200 .
N41B C46B 1.401(7) .
N41B C45B 1.4200 .
N41B N42B 1.4200 .
N42B C43B 1.4200 .
C43B C44B 1.4200 .
C44B C45B 1.4200 .
C44B H44B 0.9300 .
C45B H45B 0.9300 .
C46B C60B 1.508(6) .
C46B H46C 0.9700 .
C46B H46D 0.9700 .
C51B C52B 1.3900 .
C51B C56B 1.3900 .
C52B C53B 1.3900 .
C52B H52B 0.9300 .
C53B C54B 1.3900 .
C53B H53B 0.9300 .
C54B C55B 1.3900 .
C54B H54B 0.9300 .
C55B C56B 1.3900 .
C55B C60B 1.3900 .
C56B C57B 1.3900 .
C57B C58B 1.3900 .
C57B H57B 0.9300 .
C58B C59B 1.3900 .
C58B H58B 0.9300 .
C59B C60B 1.3900 .
C59B H59B 0.9300 .
N11C C12C 1.3900 .
N11C C16C 1.3900 .
C12C C13C 1.3900 .
C12C H12C 0.9300 .
C13C C14C 1.3900 .
C13C H13C 0.9300 .
C14C C15C 1.3900 .
C14C C17C 1.508(7) .
C15C C16C 1.3900 .
C15C H15C 0.9300 .
C16C C23C 1.325(5) .
C17C O18C 1.358(8) .
C17C H17E 0.9700 .
C17C H17F 0.9700 .
O18C H18C 0.8200 .
N21C C26C 1.360(8) .
N21C N22C 1.4200 .
N21C C25C 1.4200 .
N22C C23C 1.4200 .
C23C C24C 1.4200 .
C24C C25C 1.4200 .
C24C H24C 0.9300 .
C25C H25C 0.9300 .
C26C C51C 1.532(9) .
C26C H26E 0.9700 .
C26C H26F 0.9700 .
N31C C32C 1.3900 .
N31C C36C 1.3900 .
C32C C33C 1.3900 .
C32C H32C 0.9300 .
C33C C34C 1.3900 .
C33C H33C 0.9300 .
C34C C35C 1.3900 .
C34C C37C 1.590(11) .
C35C C36C 1.3900 .
C35C H35C 0.9300 .
C36C C43C 1.272(9) .
C37C O38C 1.379(11) .
C37C H37E 0.9700 .
C37C H37F 0.9700 .
N41C C46C 1.351(10) .
N41C C45C 1.4200 .
N41C N42C 1.4200 .
N42C C43C 1.4200 .
C43C C44C 1.4200 .
C44C C45C 1.4200 .
C44C H44C 0.9300 .
C45C H45C 0.9300 .
C46C C60C 1.473(9) .
C46C H46E 0.9700 .
C46C H46F 0.9700 .
C51C C52C 1.3900 .
C51C C56C 1.3900 .
C52C C53C 1.3900 .
C52C H52C 0.9300 .
C53C C54C 1.3900 .
C53C H53C 0.9300 .
C54C C55C 1.3900 .
C54C H54C 0.9300 .
C55C C56C 1.3900 .
C55C C60C 1.3900 .
C56C C57C 1.3900 .
C57C C58C 1.3900 .
C57C H57C 0.9300 .
C58C C59C 1.3900 .
C58C H58C 0.9300 .
C59C C60C 1.3900 .
C59C H59C 0.9300 .
N11D C12D 1.3900 .
N11D C16D 1.3900 .
C12D C13D 1.3900 .
C12D H12D 0.9300 .
C13D C14D 1.3900 .
C13D H13D 0.9300 .
C14D C15D 1.3900 .
C14D C17D 1.500(8) .
C15D C16D 1.3900 .
C15D H15D 0.9300 .
C16D C23D 1.336(5) .
C17D O18D 1.403(8) .
C17D H17G 0.9700 .
C17D H17H 0.9700 .
N21D C26D 1.369(7) .
N21D N22D 1.4200 .
N21D C25D 1.4200 .
N22D C23D 1.4200 .
C23D C24D 1.4200 .
C24D C25D 1.4200 .
C24D H24D 0.9300 .
C25D H25D 0.9300 .
C26D C51D 1.537(7) .
C26D H26G 0.9700 .
C26D H26H 0.9700 .
N31D C32D 1.3900 .
N31D C36D 1.3900 .
C32D C33D 1.3900 .
C32D H32D 0.9300 .
C33D C34D 1.3900 .
C33D H33D 0.9300 .
C34D C35D 1.3900 .
C34D C37D 1.489(9) .
C35D C36D 1.3900 .
C35D H35D 0.9300 .
C36D C43D 1.306(6) .
C37D O38D 1.403(11) .
C37D H37G 0.9700 .
C37D H37H 0.9700 .
O38D H38D 0.8200 .
N41D C46D 1.334(8) .
N41D N42D 1.4200 .
N41D C45D 1.4200 .
N42D C43D 1.4200 .
C43D C44D 1.4200 .
C44D C45D 1.4200 .
C44D H44D 0.9300 .
C45D H45D 0.9300 .
C46D C60D 1.534(8) .
C46D H46G 0.9700 .
C46D H46H 0.9700 .
C51D C52D 1.3900 .
C51D C56D 1.3900 .
C52D C53D 1.3900 .
C52D H52D 0.9300 .
C53D C54D 1.3900 .
C53D H53D 0.9300 .
C54D C55D 1.3900 .
C54D H54D 0.9300 .
C55D C56D 1.3900 .
C55D C60D 1.3900 .
C56D C57D 1.3900 .
C57D C58D 1.3900 .
C57D H57D 0.9300 .
C58D C59D 1.3900 .
C58D H58D 0.9300 .
C59D C60D 1.3900 .
C59D H59D 0.9300 .
N11E C12E 1.3900 .
N11E C16E 1.3900 .
C12E C13E 1.3900 .
C12E H12E 0.9300 .
C13E C14E 1.3900 .
C13E H13E 0.9300 .
C14E C15E 1.3900 .
C14E C17E 1.517(7) .
C15E C16E 1.3900 .
C15E H15E 0.9300 .
C16E C23E 1.329(4) .
C17E O18E 1.359(9) .
C17E H17I 0.9700 .
C17E H17J 0.9700 .
O18E H18E 0.8200 .
N21E C26E 1.363(6) .
N21E N22E 1.4200 .
N21E C25E 1.4200 .
N22E C23E 1.4200 .
C23E C24E 1.4200 .
C24E C25E 1.4200 .
C24E H24E 0.9300 .
C25E H25E 0.9300 .
C26E C51E 1.518(7) .
C26E H26I 0.9700 .
C26E H26J 0.9700 .
C46E N21G 1.407(8) 7
C46E C60E 1.495(9) .
C46E H46I 0.9700 .
C46E H46J 0.9700 .
C51E C52E 1.3900 .
C51E C56E 1.3900 .
C52E C53E 1.3900 .
C52E H52E 0.9300 .
C53E C54E 1.3900 .
C53E H53E 0.9300 .
C54E C55E 1.3900 .
C54E H54E 0.9300 .
C55E C56E 1.3900 .
C55E C60E 1.3900 .
C56E C57E 1.3900 .
C57E C58E 1.3900 .
C57E H57E 0.9300 .
C58E C59E 1.3900 .
C58E H58E 0.9300 .
C59E C60E 1.3900 .
C59E H59E 0.9300 .
N11F C12F 1.3900 .
N11F C16F 1.3900 .
C12F C13F 1.3900 .
C12F H12F 0.9300 .
C13F C14F 1.3900 .
C13F H13F 0.9300 .
C14F C15F 1.3900 .
C14F C17F 1.488(7) .
C15F C16F 1.3900 .
C15F H15F 0.9300 .
C16F C23F 1.333(4) .
C17F O18F 1.384(9) .
C17F H17K 0.9700 .
C17F H17L 0.9700 .
N21F C26F 1.359(7) .
N21F N22F 1.4200 .
N21F C25F 1.4200 .
N22F C23F 1.4200 .
C23F C24F 1.4200 .
C24F C25F 1.4200 .
C24F H24F 0.9300 .
C25F H25F 0.9300 .
C26F C51F 1.520(8) .
C26F H26K 0.9700 .
C26F H26L 0.9700 .
C51F C52F 1.3900 .
C51F C56F 1.3900 .
C52F C53F 1.3900 .
C52F H52F 0.9300 .
C53F C54F 1.3900 .
C53F H53F 0.9300 .
C54F C55F 1.3900 .
C54F H54F 0.9300 .
C55F C56F 1.3900 .
C55F C60F 1.3900 .
C56F C57F 1.3900 .
C57F C58F 1.3900 .
C57F H57F 0.9300 .
C58F C59F 1.3900 .
C58F H58F 0.9300 .
C59F C60F 1.3900 .
C59F H59F 0.9300 .
C60F C26H 1.500(8) 7
N11G C12G 1.3900 .
N11G C16G 1.3900 .
C12G C13G 1.3900 .
C12G H12G 0.9300 .
C13G C14G 1.3900 .
C13G H13G 0.9300 .
C14G C15G 1.3900 .
C14G C17G 1.498(8) .
C15G C16G 1.3900 .
C15G H15G 0.9300 .
C16G C23G 1.319(6) .
C17G O18G 1.358(10) .
C17G H17M 0.9700 .
C17G H17N 0.9700 .
O18G H18G 0.8200 .
N21G C46E 1.407(8) 7
N21G N22G 1.4200 .
N21G C25G 1.4200 .
N22G C23G 1.4200 .
C23G C24G 1.4200 .
C24G C25G 1.4200 .
C24G H24G 0.9300 .
C25G H25G 0.9300 .
N11H C12H 1.3900 .
N11H C16H 1.3900 .
C12H C13H 1.3900 .
C12H H12H 0.9300 .
C13H C14H 1.3900 .
C13H H13H 0.9300 .
C14H C15H 1.3900 .
C14H C17H 1.537(8) .
C15H C16H 1.3900 .
C15H H15H 0.9300 .
C16H C23H 1.409(9) .
C17H O18H 1.322(9) .
C17H H17O 0.9700 .
C17H H17P 0.9700 .
O18H H18H 0.8200 .
N21H N22H 1.317(9) .
N21H C25H 1.329(10) .
N21H C26H 1.505(10) .
N22H C23H 1.322(10) .
C23H C24H 1.382(11) .
C24H C25H 1.343(11) .
C24H H24H 0.9300 .
C25H H25H 0.9300 .
C26H C60F 1.50(3) 7
C26H H26M 0.9700 .
C26H H26N 0.9700 .
B1 F3 1.320(11) .
B1 F2B 1.342(13) .
B1 F1 1.364(10) .
B1 F2 1.374(11) .
B1 F1B 1.423(12) .
B1 F4 1.425(10) .
B1 F3B 1.428(13) .
F2B F4 1.635(19) .
B2 F5B 1.343(13) .
B2 F5 1.343(12) .
B2 F6B 1.350(13) .
B2 F8 1.369(11) .
B2 F7 1.370(11) .
B2 F6 1.381(12) .
F5B F8 1.724(19) .
B3 F11 1.290(13) .
B3 F10 1.308(12) .
B3 F9 1.311(12) .
B3 F11B 1.326(15) .
B3 F12 1.345(13) .
F11B F12 1.35(3) .
B5 F18B 1.289(14) .
B5 F17 1.295(12) .
B5 F20B 1.301(15) .
B5 F18 1.304(14) .
B5 F20 1.316(13) .
B5 F19 1.327(12) .
F19 F20B 1.61(3) .
C1Z C10Z 1.4567 .
C1Z C6Z 1.5441 .
C1Z C2Z 1.5790 .
C1Z H1Z 0.9800 .
C2Z C3Z 1.5019 .
C2Z H2Z1 0.9700 .
C2Z H2Z2 0.9700 .
C3Z C9Z 1.4838 .
C3Z C4Z 1.6021 .
C3Z H3Z 0.9800 .
C4Z C5Z 1.4734 .
C4Z H4Z1 0.9700 .
C4Z H4Z2 0.9700 .
C5Z C6Z 1.5340 .
C5Z C7Z 1.5384 .
C5Z H5Z 0.9800 .
C6Z H6Z1 0.9700 .
C6Z H6Z2 0.9700 .
C7Z C8Z 1.4998 .
C7Z H7Z1 0.9700 .
C7Z H7Z2 0.9700 .
C8Z C10Z 1.5637 .
C8Z C11Z 1.5765 .
C8Z C9Z 1.5987 .
C9Z H9Z1 0.9700 .
C9Z H9Z2 0.9700 .
C10Z H10A 0.9700 .
C10Z H10B 0.9700 .
C11Z O12Z 1.2541 .
C11Z O13Z 1.2717 .
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
C16A N11A C12A C13A 0.0 . .
Co3 N11A C12A C13A 178.3(3) . .
N11A C12A C13A C14A 0.0 . .
C12A C13A C14A C15A 0.0 . .
C12A C13A C14A C17A -177.7(4) . .
C13A C14A C15A C16A 0.0 . .
C17A C14A C15A C16A 177.8(4) . .
C14A C15A C16A C23A 175.5(5) . .
C14A C15A C16A N11A 0.0 . .
C12A N11A C16A C23A -175.9(4) . .
Co3 N11A C16A C23A 5.6(4) . .
C12A N11A C16A C15A 0.0 . .
Co3 N11A C16A C15A -178.5(3) . .
C15A C14A C17A O18A 172.0(5) . .
C13A C14A C17A O18A -10.3(7) . .
C26A N21A N22A C23A 173.3(6) . .
C25A N21A N22A C23A 0.0 . .
C26A N21A N22A Co3 -17.4(8) . .
C25A N21A N22A Co3 169.3(5) . .
C15A C16A C23A C24A -5.6(7) . .
N11A C16A C23A C24A 170.0(4) . .
C15A C16A C23A N22A 176.8(3) . .
N11A C16A C23A N22A -7.5(5) . .
N21A N22A C23A C16A 178.1(6) . .
Co3 N22A C23A C16A 5.6(5) . .
N21A N22A C23A C24A 0.0 . .
Co3 N22A C23A C24A -172.5(4) . .
C16A C23A C24A C25A -177.8(7) . .
N22A C23A C24A C25A 0.0 . .
C23A C24A C25A N21A 0.0 . .
C26A N21A C25A C24A -173.3(6) . .
N22A N21A C25A C24A 0.0 . .
C25A N21A C26A C51A 91.8(7) . .
N22A N21A C26A C51A -80.3(8) . .
C36A N31A C32A C33A 0.0 . .
Co1 N31A C32A C33A -178.5(3) . .
N31A C32A C33A C34A 0.0 . .
C32A C33A C34A C35A 0.0 . .
C32A C33A C34A C37A -176.0(6) . .
C33A C34A C35A C36A 0.0 . .
C37A C34A C35A C36A 175.5(7) . .
C34A C35A C36A C43A -176.7(5) . .
C34A C35A C36A N31A 0.0 . .
C32A N31A C36A C43A 177.0(4) . .
Co1 N31A C36A C43A -4.3(4) . .
C32A N31A C36A C35A 0.0 . .
Co1 N31A C36A C35A 178.7(3) . .
C35A C34A C37A O38A 28.6(11) . .
C33A C34A C37A O38A -155.7(7) . .
C46A N41A N42A C43A -178.7(4) . .
C45A N41A N42A C43A 0.0 . .
C46A N41A N42A Co1 -8.4(5) . .
C45A N41A N42A Co1 170.3(4) . .
C35A C36A C43A N42A 172.8(3) . .
N31A C36A C43A N42A -4.1(5) . .
C35A C36A C43A C44A -2.7(6) . .
N31A C36A C43A C44A -179.6(3) . .
N41A N42A C43A C36A -176.5(4) . .
Co1 N42A C43A C36A 10.5(4) . .
N41A N42A C43A C44A 0.0 . .
Co1 N42A C43A C44A -173.1(3) . .
C36A C43A C44A C45A 175.9(5) . .
N42A C43A C44A C45A 0.0 . .
C43A C44A C45A N41A 0.0 . .
C46A N41A C45A C44A 178.5(5) . .
N42A N41A C45A C44A 0.0 . .
N42A N41A C46A C60A 88.9(5) . .
C45A N41A C46A C60A -89.5(6) . .
N21A C26A C51A C52A -5.0(8) . .
N21A C26A C51A C56A 178.4(5) . .
C56A C51A C52A C53A 0.0 . .
C26A C51A C52A C53A -176.6(5) . .
C51A C52A C53A C54A 0.0 . .
C52A C53A C54A C55A 0.0 . .
C53A C54A C55A C56A 0.0 . .
C53A C54A C55A C60A 180.0 . .
C54A C55A C56A C57A 180.0 . .
C60A C55A C56A C57A 0.0 . .
C54A C55A C56A C51A 0.0 . .
C60A C55A C56A C51A 180.0 . .
C52A C51A C56A C57A 180.0 . .
C26A C51A C56A C57A -3.4(5) . .
C52A C51A C56A C55A 0.0 . .
C26A C51A C56A C55A 176.6(5) . .
C55A C56A C57A C58A 0.0 . .
C51A C56A C57A C58A 180.0 . .
C56A C57A C58A C59A 0.0 . .
C57A C58A C59A C60A 0.0 . .
C58A C59A C60A C55A 0.0 . .
C58A C59A C60A C46A -178.1(4) . .
C56A C55A C60A C59A 0.0 . .
C54A C55A C60A C59A 180.0 . .
C56A C55A C60A C46A 178.1(4) . .
C54A C55A C60A C46A -1.9(4) . .
N41A C46A C60A C59A 10.2(6) . .
N41A C46A C60A C55A -167.9(4) . .
C16B N11B C12B C13B 0.0 . .
Co1 N11B C12B C13B -170.0(3) . .
N11B C12B C13B C14B 0.0 . .
C12B C13B C14B C15B 0.0 . .
C12B C13B C14B C17B 178.8(6) . .
C13B C14B C15B C16B 0.0 . .
C17B C14B C15B C16B -178.9(6) . .
C14B C15B C16B C23B 177.0(5) . .
C14B C15B C16B N11B 0.0 . .
C12B N11B C16B C23B -177.1(5) . .
Co1 N11B C16B C23B -6.2(4) . .
C12B N11B C16B C15B 0.0 . .
Co1 N11B C16B C15B 170.9(3) . .
C13B C14B C17B O18B 0.3(12) . .
C15B C14B C17B O18B 179.1(7) . .
C26B N21B N22B C23B -172.6(5) . .
C25B N21B N22B C23B 0.0 . .
C26B N21B N22B Co1 -0.5(6) . .
C25B N21B N22B Co1 172.2(4) . .
C15B C16B C23B C24B 5.6(6) . .
N11B C16B C23B C24B -177.4(3) . .
C15B C16B C23B N22B -179.1(3) . .
N11B C16B C23B N22B -2.0(5) . .
N21B N22B C23B C16B -176.5(5) . .
Co1 N22B C23B C16B 9.1(4) . .
N21B N22B C23B C24B 0.0 . .
Co1 N22B C23B C24B -174.4(3) . .
C16B C23B C24B C25B 175.7(6) . .
N22B C23B C24B C25B 0.0 . .
C26B N21B C25B C24B 172.1(5) . .
N22B N21B C25B C24B 0.0 . .
C23B C24B C25B N21B 0.0 . .
C25B N21B C26B C51B -86.9(5) . .
N22B N21B C26B C51B 84.1(5) . .
C36B N31B C32B C33B 0.0 . .
Co2 N31B C32B C33B 178.2(3) . .
N31B C32B C33B C34B 0.0 . .
C32B C33B C34B C35B 0.0 . .
C32B C33B C34B C37B -178.5(5) . .
C33B C34B C35B C36B 0.0 . .
C37B C34B C35B C36B 178.5(5) . .
C34B C35B C36B C43B 179.8(4) . .
C34B C35B C36B N31B 0.0 . .
C32B N31B C36B C43B -179.8(4) . .
Co2 N31B C36B C43B 1.8(4) . .
C32B N31B C36B C35B 0.0 . .
Co2 N31B C36B C35B -178.4(3) . .
C35B C34B C37B O38B 161.2(5) . .
C33B C34B C37B O38B -20.3(8) . .
C46B N41B N42B C43B 170.7(5) . .
C45B N41B N42B C43B 0.0 . .
C46B N41B N42B Co2 -23.0(6) . .
C45B N41B N42B Co2 166.3(4) . .
C35B C36B C43B C44B -12.0(6) . .
N31B C36B C43B C44B 167.8(3) . .
C35B C36B C43B N42B 176.3(2) . .
N31B C36B C43B N42B -3.9(5) . .
N41B N42B C43B C36B 173.9(4) . .
Co2 N42B C43B C36B 4.0(4) . .
N41B N42B C43B C44B 0.0 . .
Co2 N42B C43B C44B -169.8(3) . .
C36B C43B C44B C45B -172.2(6) . .
N42B C43B C44B C45B 0.0 . .
C46B N41B C45B C44B -170.3(5) . .
N42B N41B C45B C44B 0.0 . .
C43B C44B C45B N41B 0.0 . .
C45B N41B C46B C60B 90.5(5) . .
N42B N41B C46B C60B -78.4(6) . .
N21B C26B C51B C52B 6.2(5) . .
N21B C26B C51B C56B -170.3(3) . .
C56B C51B C52B C53B 0.0 . .
C26B C51B C52B C53B -176.6(3) . .
C51B C52B C53B C54B 0.0 . .
C52B C53B C54B C55B 0.0 . .
C53B C54B C55B C56B 0.0 . .
C53B C54B C55B C60B 180.0 . .
C54B C55B C56B C57B 180.0 . .
C60B C55B C56B C57B 0.0 . .
C54B C55B C56B C51B 0.0 . .
C60B C55B C56B C51B 180.0 . .
C52B C51B C56B C57B 180.0 . .
C26B C51B C56B C57B -3.4(3) . .
C52B C51B C56B C55B 0.0 . .
C26B C51B C56B C55B 176.6(3) . .
C55B C56B C57B C58B 0.0 . .
C51B C56B C57B C58B 180.0 . .
C56B C57B C58B C59B 0.0 . .
C57B C58B C59B C60B 0.0 . .
C58B C59B C60B C55B 0.0 . .
C58B C59B C60B C46B 179.7(4) . .
C56B C55B C60B C59B 0.0 . .
C54B C55B C60B C59B 180.0 . .
C56B C55B C60B C46B -179.7(4) . .
C54B C55B C60B C46B 0.3(4) . .
N41B C46B C60B C59B -0.1(6) . .
N41B C46B C60B C55B 179.6(3) . .
C16C N11C C12C C13C 0.0 . .
Co2 N11C C12C C13C 178.4(3) . .
N11C C12C C13C C14C 0.0 . .
C12C C13C C14C C15C 0.0 . .
C12C C13C C14C C17C -179.5(5) . .
C13C C14C C15C C16C 0.0 . .
C17C C14C C15C C16C 179.5(5) . .
C14C C15C C16C C23C 176.2(5) . .
C14C C15C C16C N11C 0.0 . .
C12C N11C C16C C23C -176.4(4) . .
Co2 N11C C16C C23C 5.0(4) . .
C12C N11C C16C C15C 0.0 . .
Co2 N11C C16C C15C -178.6(3) . .
C15C C14C C17C O18C -163.0(5) . .
C13C C14C C17C O18C 16.6(8) . .
C26C N21C N22C C23C 177.1(6) . .
C25C N21C N22C C23C 0.0 . .
C26C N21C N22C Co2 2.3(7) . .
C25C N21C N22C Co2 -174.8(5) . .
C15C C16C C23C C24C 1.6(6) . .
N11C C16C C23C C24C 177.9(3) . .
C15C C16C C23C N22C -175.8(3) . .
N11C C16C C23C N22C 0.5(5) . .
N21C N22C C23C C16C 178.0(5) . .
Co2 N22C C23C C16C -5.5(5) . .
N21C N22C C23C C24C 0.0 . .
Co2 N22C C23C C24C 176.6(3) . .
C16C C23C C24C C25C -177.7(6) . .
N22C C23C C24C C25C 0.0 . .
C23C C24C C25C N21C 0.0 . .
C26C N21C C25C C24C -176.9(6) . .
N22C N21C C25C C24C 0.0 . .
N22C N21C C26C C51C -86.5(6) . .
C25C N21C C26C C51C 90.0(6) . .
C36C N31C C32C C33C 0.0 . .
Co4 N31C C32C C33C 177.9(5) . .
N31C C32C C33C C34C 0.0 . .
C32C C33C C34C C35C 0.0 . .
C32C C33C C34C C37C -179.9(7) . .
C33C C34C C35C C36C 0.0 . .
C37C C34C C35C C36C 179.9(7) . .
C34C C35C C36C C43C -178.9(8) . .
C34C C35C C36C N31C 0.0 . .
C32C N31C C36C C43C 178.9(8) . .
Co4 N31C C36C C43C 0.8(7) . .
C32C N31C C36C C35C 0.0 . .
Co4 N31C C36C C35C -178.1(5) . .
C33C C34C C37C O38C 59.5(11) . .
C35C C34C C37C O38C -120.4(9) . .
C46C N41C N42C C43C -173.2(7) . .
C45C N41C N42C C43C 0.0 . .
C46C N41C N42C Co4 8.4(9) . .
C45C N41C N42C Co4 -178.4(6) . .
C35C C36C C43C N42C 179.2(4) . .
N31C C36C C43C N42C 0.3(9) . .
C35C C36C C43C C44C -0.9(11) . .
N31C C36C C43C C44C -179.8(5) . .
N41C N42C C43C C36C 179.9(8) . .
Co4 N42C C43C C36C -1.3(7) . .
N41C N42C C43C C44C 0.0 . .
Co4 N42C C43C C44C 178.8(5) . .
C36C C43C C44C C45C -179.8(10) . .
N42C C43C C44C C45C 0.0 . .
C46C N41C C45C C44C 172.3(8) . .
N42C N41C C45C C44C 0.0 . .
C43C C44C C45C N41C 0.0 . .
C45C N41C C46C C60C -88.2(9) . .
N42C N41C C46C C60C 83.2(8) . .
N21C C26C C51C C52C 5.9(7) . .
N21C C26C C51C C56C -176.3(4) . .
C56C C51C C52C C53C 0.0 . .
C26C C51C C52C C53C 177.8(4) . .
C51C C52C C53C C54C 0.0 . .
C52C C53C C54C C55C 0.0 . .
C53C C54C C55C C56C 0.0 . .
C53C C54C C55C C60C 180.0 . .
C54C C55C C56C C57C 180.0 . .
C60C C55C C56C C57C 0.0 . .
C54C C55C C56C C51C 0.0 . .
C60C C55C C56C C51C 180.0 . .
C52C C51C C56C C55C 0.0 . .
C26C C51C C56C C55C -177.7(4) . .
C52C C51C C56C C57C 180.0 . .
C26C C51C C56C C57C 2.3(4) . .
C55C C56C C57C C58C 0.0 . .
C51C C56C C57C C58C 180.0 . .
C56C C57C C58C C59C 0.0 . .
C57C C58C C59C C60C 0.0 . .
C58C C59C C60C C55C 0.0 . .
C58C C59C C60C C46C -179.0(5) . .
C56C C55C C60C C59C 0.0 . .
C54C C55C C60C C59C 180.0 . .
C56C C55C C60C C46C 179.0(5) . .
C54C C55C C60C C46C -1.0(5) . .
N41C C46C C60C C59C -0.8(9) . .
N41C C46C C60C C55C -179.8(5) . .
C16D N11D C12D C13D 0.0 . .
Co4 N11D C12D C13D -179.6(3) . .
N11D C12D C13D C14D 0.0 . .
C12D C13D C14D C15D 0.0 . .
C12D C13D C14D C17D 177.9(5) . .
C13D C14D C15D C16D 0.0 . .
C17D C14D C15D C16D -177.9(5) . .
C14D C15D C16D C23D -177.2(5) . .
C14D C15D C16D N11D 0.0 . .
C12D N11D C16D C23D 177.3(5) . .
Co4 N11D C16D C23D -3.0(4) . .
C12D N11D C16D C15D 0.0 . .
Co4 N11D C16D C15D 179.7(3) . .
C15D C14D C17D O18D -179.3(5) . .
C13D C14D C17D O18D 2.8(8) . .
C26D N21D N22D C23D -169.8(5) . .
C25D N21D N22D C23D 0.0 . .
C26D N21D N22D Co4 12.1(6) . .
C25D N21D N22D Co4 -178.1(4) . .
C15D C16D C23D C24D 3.0(6) . .
N11D C16D C23D C24D -174.2(3) . .
C15D C16D C23D N22D 176.8(3) . .
N11D C16D C23D N22D -0.5(5) . .
N21D N22D C23D C16D -175.2(5) . .
Co4 N22D C23D C16D 3.6(4) . .
N21D N22D C23D C24D 0.0 . .
Co4 N22D C23D C24D 178.7(3) . .
C16D C23D C24D C25D 174.2(6) . .
N22D C23D C24D C25D 0.0 . .
C26D N21D C25D C24D 169.5(5) . .
N22D N21D C25D C24D 0.0 . .
C23D C24D C25D N21D 0.0 . .
N22D N21D C26D C51D 84.7(6) . .
C25D N21D C26D C51D -83.2(7) . .
C36D N31D C32D C33D 0.0 . .
Co3 N31D C32D C33D 173.6(4) . .
N31D C32D C33D C34D 0.0 . .
C32D C33D C34D C35D 0.0 . .
C32D C33D C34D C37D -176.6(7) . .
C33D C34D C35D C36D 0.0 . .
C37D C34D C35D C36D 176.7(7) . .
C34D C35D C36D C43D -177.8(7) . .
C34D C35D C36D N31D 0.0 . .
C32D N31D C36D C43D 177.8(6) . .
Co3 N31D C36D C43D 3.7(6) . .
C32D N31D C36D C35D 0.0 . .
Co3 N31D C36D C35D -174.2(4) . .
C33D C34D C37D O38D 8.3(11) . .
C35D C34D C37D O38D -168.4(7) . .
C46D N41D N42D C43D 172.0(6) . .
C45D N41D N42D C43D 0.0 . .
C46D N41D N42D Co3 -13.5(8) . .
C45D N41D N42D Co3 174.5(5) . .
C35D C36D C43D N42D 171.7(4) . .
N31D C36D C43D N42D -6.1(7) . .
C35D C36D C43D C44D -6.3(9) . .
N31D C36D C43D C44D 175.9(4) . .
N41D N42D C43D C36D -178.5(6) . .
Co3 N42D C43D C36D 5.6(6) . .
N41D N42D C43D C44D 0.0 . .
Co3 N42D C43D C44D -175.9(4) . .
C36D C43D C44D C45D 178.1(8) . .
N42D C43D C44D C45D 0.0 . .
C43D C44D C45D N41D 0.0 . .
C46D N41D C45D C44D -171.0(7) . .
N42D N41D C45D C44D 0.0 . .
N42D N41D C46D C60D -79.4(7) . .
C45D N41D C46D C60D 90.6(8) . .
N21D C26D C51D C52D -4.5(7) . .
N21D C26D C51D C56D 179.5(4) . .
C56D C51D C52D C53D 0.0 . .
C26D C51D C52D C53D -176.1(4) . .
C51D C52D C53D C54D 0.0 . .
C52D C53D C54D C55D 0.0 . .
C53D C54D C55D C56D 0.0 . .
C53D C54D C55D C60D 180.0 . .
C54D C55D C56D C57D 180.0 . .
C60D C55D C56D C57D 0.0 . .
C54D C55D C56D C51D 0.0 . .
C60D C55D C56D C51D 180.0 . .
C52D C51D C56D C57D 180.0 . .
C26D C51D C56D C57D -4.1(5) . .
C52D C51D C56D C55D 0.0 . .
C26D C51D C56D C55D 175.9(5) . .
C55D C56D C57D C58D 0.0 . .
C51D C56D C57D C58D 180.0 . .
C56D C57D C58D C59D 0.0 . .
C57D C58D C59D C60D 0.0 . .
C58D C59D C60D C55D 0.0 . .
C58D C59D C60D C46D -176.3(5) . .
C54D C55D C60D C59D 180.0 . .
C56D C55D C60D C59D 0.0 . .
C54D C55D C60D C46D -3.6(5) . .
C56D C55D C60D C46D 176.4(5) . .
N41D C46D C60D C59D -4.8(9) . .
N41D C46D C60D C55D 178.8(5) . .
C16E N11E C12E C13E 0.0 . .
Co1 N11E C12E C13E -178.5(3) . .
N11E C12E C13E C14E 0.0 . .
C12E C13E C14E C15E 0.0 . .
C12E C13E C14E C17E 176.9(6) . .
C13E C14E C15E C16E 0.0 . .
C17E C14E C15E C16E -177.0(6) . .
C14E C15E C16E C23E -175.7(5) . .
C14E C15E C16E N11E 0.0 . .
C12E N11E C16E C23E 176.0(5) . .
Co1 N11E C16E C23E -5.3(4) . .
C12E N11E C16E C15E 0.0 . .
Co1 N11E C16E C15E 178.7(3) . .
C13E C14E C17E O18E 16.4(10) . .
C15E C14E C17E O18E -166.6(6) . .
C26E N21E N22E C23E -178.8(5) . .
C25E N21E N22E C23E 0.0 . .
C26E N21E N22E Co1 -7.7(6) . .
C25E N21E N22E Co1 171.1(4) . .
C15E C16E C23E N22E 175.9(3) . .
N11E C16E C23E N22E 0.0(5) . .
C15E C16E C23E C24E -5.6(6) . .
N11E C16E C23E C24E 178.6(3) . .
N21E N22E C23E C16E 178.9(5) . .
Co1 N22E C23E C16E 5.3(4) . .
N21E N22E C23E C24E 0.0 . .
Co1 N22E C23E C24E -173.6(3) . .
C16E C23E C24E C25E -178.6(6) . .
N22E C23E C24E C25E 0.0 . .
C23E C24E C25E N21E 0.0 . .
C26E N21E C25E C24E 178.6(6) . .
N22E N21E C25E C24E 0.0 . .
N22E N21E C26E C51E 87.8(5) . .
C25E N21E C26E C51E -90.7(6) . .
N21E C26E C51E C52E 6.2(6) . .
N21E C26E C51E C56E -172.0(3) . .
C56E C51E C52E C53E 0.0 . .
C26E C51E C52E C53E -178.2(4) . .
C51E C52E C53E C54E 0.0 . .
C52E C53E C54E C55E 0.0 . .
C53E C54E C55E C56E 0.0 . .
C53E C54E C55E C60E 180.0 . .
C54E C55E C56E C57E 180.0 . .
C60E C55E C56E C57E 0.0 . .
C54E C55E C56E C51E 0.0 . .
C60E C55E C56E C51E 180.0 . .
C52E C51E C56E C55E 0.0 . .
C26E C51E C56E C55E 178.2(4) . .
C52E C51E C56E C57E 180.0 . .
C26E C51E C56E C57E -1.8(4) . .
C55E C56E C57E C58E 0.0 . .
C51E C56E C57E C58E 180.0 . .
C56E C57E C58E C59E 0.0 . .
C57E C58E C59E C60E 0.0 . .
C58E C59E C60E C55E 0.0 . .
C58E C59E C60E C46E 178.2(4) . .
C56E C55E C60E C59E 0.0 . .
C54E C55E C60E C59E 180.0 . .
C56E C55E C60E C46E -178.1(5) . .
C54E C55E C60E C46E 1.9(5) . .
N21G C46E C60E C59E 1.9(8) 7 .
N21G C46E C60E C55E -179.9(5) 7 .
C16F N11F C12F C13F 0.0 . .
Co3 N11F C12F C13F 178.1(4) . .
N11F C12F C13F C14F 0.0 . .
C12F C13F C14F C15F 0.0 . .
C12F C13F C14F C17F -177.9(6) . .
C13F C14F C15F C16F 0.0 . .
C17F C14F C15F C16F 178.0(6) . .
C14F C15F C16F C23F 176.6(6) . .
C14F C15F C16F N11F 0.0 . .
C12F N11F C16F C23F -176.8(5) . .
Co3 N11F C16F C23F 5.0(5) . .
C12F N11F C16F C15F 0.0 . .
Co3 N11F C16F C15F -178.3(3) . .
C13F C14F C17F O18F -2.3(9) . .
C15F C14F C17F O18F 179.7(5) . .
C26F N21F N22F C23F 170.4(6) . .
C25F N21F N22F C23F 0.0 . .
C26F N21F N22F Co3 -3.3(8) . .
C25F N21F N22F Co3 -173.7(5) . .
C15F C16F C23F C24F -0.2(8) . .
N11F C16F C23F C24F 176.4(4) . .
C15F C16F C23F N22F -173.4(3) . .
N11F C16F C23F N22F 3.3(6) . .
N21F N22F C23F C16F 174.8(6) . .
Co3 N22F C23F C16F -9.6(5) . .
N21F N22F C23F C24F 0.0 . .
Co3 N22F C23F C24F 175.7(4) . .
C16F C23F C24F C25F -173.7(7) . .
N22F C23F C24F C25F 0.0 . .
C23F C24F C25F N21F 0.0 . .
C26F N21F C25F C24F -170.2(6) . .
N22F N21F C25F C24F 0.0 . .
N22F N21F C26F C51F -86.5(6) . .
C25F N21F C26F C51F 82.2(6) . .
N21F C26F C51F C52F 5.9(6) . .
N21F C26F C51F C56F -176.2(3) . .
C56F C51F C52F C53F 0.0 . .
C26F C51F C52F C53F 177.9(4) . .
C51F C52F C53F C54F 0.0 . .
C52F C53F C54F C55F 0.0 . .
C53F C54F C55F C56F 0.0 . .
C53F C54F C55F C60F 180.0 . .
C54F C55F C56F C57F 180.0 . .
C60F C55F C56F C57F 0.0 . .
C54F C55F C56F C51F 0.0 . .
C60F C55F C56F C51F 180.0 . .
C52F C51F C56F C57F 180.0 . .
C26F C51F C56F C57F 2.2(4) . .
C52F C51F C56F C55F 0.0 . .
C26F C51F C56F C55F -177.8(4) . .
C55F C56F C57F C58F 0.0 . .
C51F C56F C57F C58F 180.0 . .
C56F C57F C58F C59F 0.0 . .
C57F C58F C59F C60F 0.0 . .
C58F C59F C60F C55F 0.0 . .
C58F C59F C60F C26H 179.4(4) . 7
C54F C55F C60F C59F 180.0 . .
C56F C55F C60F C59F 0.0 . .
C54F C55F C60F C26H 0.6(4) . 7
C56F C55F C60F C26H -179.4(4) . 7
C16G N11G C12G C13G 0.0 . .
Co4 N11G C12G C13G -176.1(4) . .
N11G C12G C13G C14G 0.0 . .
C12G C13G C14G C15G 0.0 . .
C12G C13G C14G C17G -178.9(7) . .
C13G C14G C15G C16G 0.0 . .
C17G C14G C15G C16G 178.9(7) . .
C14G C15G C16G C23G -177.9(7) . .
C14G C15G C16G N11G 0.0 . .
C12G N11G C16G C23G 178.2(6) . .
Co4 N11G C16G C23G -5.4(5) . .
C12G N11G C16G C15G 0.0 . .
Co4 N11G C16G C15G 176.4(4) . .
C15G C14G C17G O18G 178.9(6) . .
C13G C14G C17G O18G -2.2(11) . .
C46E N21G N22G C23G -169.3(7) 7 .
C25G N21G N22G C23G 0.0 . .
C46E N21G N22G Co4 24.5(9) 7 .
C25G N21G N22G Co4 -166.2(6) . .
C15G C16G C23G N22G -176.6(4) . .
N11G C16G C23G N22G 5.4(7) . .
C15G C16G C23G C24G 12.5(9) . .
N11G C16G C23G C24G -165.5(5) . .
N21G N22G C23G C16G -172.9(7) . .
Co4 N22G C23G C16G -2.7(6) . .
N21G N22G C23G C24G 0.0 . .
Co4 N22G C23G C24G 170.1(5) . .
C16G C23G C24G C25G 171.8(8) . .
N22G C23G C24G C25G 0.0 . .
C23G C24G C25G N21G 0.0 . .
C46E N21G C25G C24G 168.1(8) 7 .
N22G N21G C25G C24G 0.0 . .
C16H N11H C12H C13H 0.0 . .
Co2 N11H C12H C13H -178.4(4) . .
N11H C12H C13H C14H 0.0 . .
C12H C13H C14H C15H 0.0 . .
C12H C13H C14H C17H -173.9(6) . .
C13H C14H C15H C16H 0.0 . .
C17H C14H C15H C16H 173.8(6) . .
C14H C15H C16H N11H 0.0 . .
C14H C15H C16H C23H -178.0(7) . .
C12H N11H C16H C15H 0.0 . .
Co2 N11H C16H C15H 178.5(3) . .
C12H N11H C16H C23H 178.2(6) . .
Co2 N11H C16H C23H -3.3(6) . .
C13H C14H C17H O18H 150.1(7) . .
C15H C14H C17H O18H -23.7(11) . .
C25H N21H N22H C23H 1.7(10) . .
C26H N21H N22H C23H 174.3(7) . .
C25H N21H N22H Co2 -177.6(7) . .
C26H N21H N22H Co2 -5.1(13) . .
N21H N22H C23H C24H 1.8(10) . .
Co2 N22H C23H C24H -178.7(6) . .
N21H N22H C23H C16H 176.2(7) . .
Co2 N22H C23H C16H -4.2(10) . .
C15H C16H C23H N22H -176.8(6) . .
N11H C16H C23H N22H 5.1(10) . .
C15H C16H C23H C24H -3.4(12) . .
N11H C16H C23H C24H 178.5(8) . .
N22H C23H C24H C25H -4.5(11) . .
C16H C23H C24H C25H -178.3(9) . .
N22H N21H C25H C24H -4.6(11) . .
C26H N21H C25H C24H -176.7(8) . .
C23H C24H C25H N21H 5.2(10) . .
N22H N21H C26H C60F -83.3(12) . 7
C25H N21H C26H C60F 88.3(12) . 7
F3 B1 F2B F4 95(2) . .
F1 B1 F2B F4 -101.6(9) . .
F2 B1 F2B F4 147.7(16) . .
F1B B1 F2B F4 -171.9(11) . .
F3B B1 F2B F4 101.5(16) . .
F3 B1 F4 F2B -140.6(14) . .
F1 B1 F4 F2B 98.6(12) . .
F2 B1 F4 F2B -20.7(10) . .
F1B B1 F4 F2B 33(4) . .
F3B B1 F4 F2B -119.0(15) . .
F5 B2 F5B F8 -142.7(15) . .
F6B B2 F5B F8 162.5(14) . .
F7 B2 F5B F8 -106(2) . .
F6 B2 F5B F8 104.7(9) . .
F5 B2 F8 F5B 25.9(10) . .
F6B B2 F8 F5B -85(5) . .
F7 B2 F8 F5B 147.1(15) . .
F6 B2 F8 F5B -96.2(13) . .
F11 B3 F11B F12 -142.9(17) . .
F10 B3 F11B F12 -70(3) . .
F9 B3 F11B F12 102.9(12) . .
F11 B3 F12 F11B 34.0(17) . .
F10 B3 F12 F11B 150.5(19) . .
F9 B3 F12 F11B -90.3(18) . .
F18B B5 F19 F20B -114(3) . .
F17 B5 F19 F20B 134(2) . .
F18 B5 F19 F20B -106(2) . .
F20 B5 F19 F20B 13.9(18) . .
F18B B5 F20B F19 121(3) . .
F17 B5 F20B F19 -99(2) . .
F18 B5 F20B F19 109.4(14) . .
F20 B5 F20B F19 -157(3) . .
C10Z C1Z C2Z C3Z -62.6 . .
C6Z C1Z C2Z C3Z 61.3 . .
C1Z C2Z C3Z C9Z 62.4 . .
C1Z C2Z C3Z C4Z -56.7 . .
C9Z C3Z C4Z C5Z -57.4 . .
C2Z C3Z C4Z C5Z 60.8 . .
C3Z C4Z C5Z C6Z -59.9 . .
C3Z C4Z C5Z C7Z 56.4 . .
C4Z C5Z C6Z C1Z 65.6 . .
C7Z C5Z C6Z C1Z -48.9 . .
C10Z C1Z C6Z C5Z 54.4 . .
C2Z C1Z C6Z C5Z -68.3 . .
C4Z C5Z C7Z C8Z -58.3 . .
C6Z C5Z C7Z C8Z 52.7 . .
C5Z C7Z C8Z C10Z -57.5 . .
C5Z C7Z C8Z C11Z -179.8 . .
C5Z C7Z C8Z C9Z 58.2 . .
C2Z C3Z C9Z C8Z -65.6 . .
C4Z C3Z C9Z C8Z 53.5 . .
C7Z C8Z C9Z C3Z -56.6 . .
C10Z C8Z C9Z C3Z 62.1 . .
C11Z C8Z C9Z C3Z 177.8 . .
C6Z C1Z C10Z C8Z -57.9 . .
C2Z C1Z C10Z C8Z 61.9 . .
C7Z C8Z C10Z C1Z 59.4 . .
C11Z C8Z C10Z C1Z -174.9 . .
C9Z C8Z C10Z C1Z -59.3 . .
C7Z C8Z C11Z O12Z 6.7 . .
C10Z C8Z C11Z O12Z -116.5 . .
C9Z C8Z C11Z O12Z 129.8 . .
C7Z C8Z C11Z O13Z -178.1 . .
C10Z C8Z C11Z O13Z 58.7 . .
C9Z C8Z C11Z O13Z -54.9 . .
