#------------------------------------------------------------------------------
#$Date: 2016-12-14 06:10:25 +0200 (Wed, 14 Dec 2016) $
#$Revision: 189113 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/72/7227265.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_7227265
loop_
_publ_author_name
'Escudero, Eduardo Carmelo'
'Bauza, Antonio'
'Hernández-Eguía, Laura P'
'Würthner, Frank'
'Ballester, Pablo'
'Frontera, Antonio'
_publ_section_title
;
 Solid-state Inclusion of C60 and C70 in a Co-polymer Induced by
 Metal-Ligand Coordination of a Zn-Porphyrin Cage with a bis-pyridyl
 Perylene Derivative
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/C6CE02341J
_journal_year                    2016
_chemical_formula_sum            'C384 H324 N12 O12 Zn2'
_chemical_formula_weight         5429.27
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2016-11-29 deposited with the CCDC.
2016-12-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.683(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.4161(15)
_cell_length_b                   37.487(2)
_cell_length_c                   32.528(2)
_cell_measurement_reflns_used    9860
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.32
_cell_measurement_theta_min      2.51
_cell_volume                     28522(3)
_computing_cell_refinement       'Bruker APEX2 v2014.9-0'
_computing_data_collection       'Bruker APEX2 v2014.9-0'
_computing_data_reduction        'Bruker SAINT V7.60A'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    Sir2011
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 512
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.905
_diffrn_measurement_device_type  'APEX DUO Kappa 4-axis goniometer'
_diffrn_measurement_method
;
 Fullsphere data collection, phi and omega scans
;
_diffrn_measurement_specimen_support 'magnetic support with MicroMount'
_diffrn_radiation_monochromator  'Quazar MX Multilayer Optics'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0768
_diffrn_reflns_av_unetI/netI     0.0653
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.905
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       50
_diffrn_reflns_limit_k_min       -48
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            157990
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.905
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.578
_diffrn_reflns_theta_min         1.254
_diffrn_source                   'Microfocus source E025 IuS'
_diffrn_source_current           0.6
_diffrn_source_power             50
_diffrn_source_size              '0.2 mm x 0.2 mm fine focus'
_diffrn_source_type              'Bruker APEX DUO'
_exptl_absorpt_coefficient_mu    0.238
_exptl_absorpt_correction_T_max  0.981
_exptl_absorpt_correction_T_min  0.701
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 SADABS Version 2008/1 Bruker-Nonius
 Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.264
_exptl_crystal_description       block
_exptl_crystal_F_000             11472
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.238
_refine_diff_density_min         -1.273
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2593
_refine_ls_number_reflns         32986
_refine_ls_number_restraints     3045
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.1472
_refine_ls_R_factor_gt           0.1076
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1801P)²+211.9796P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2956
_refine_ls_wR_factor_ref         0.3372
_reflns_Friedel_coverage         0.000
_reflns_number_gt                22503
_reflns_number_total             32986
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6ce02341j2.cif
_cod_data_source_block           LPH005C70111_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 
;
_cod_original_cell_volume        28521(3)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7227265
_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.
;
_shelx_estimated_absorpt_t_min   0.965
_shelx_estimated_absorpt_t_max   0.981
_shelxl_version_number           2014-3
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
C1 C 0.50822(18) 0.42599(9) 0.65670(11) 0.0176(7) Uani 1 1 d . . . . .
C2 C 0.54958(19) 0.42636(11) 0.62494(12) 0.0213(8) Uani 1 1 d . . . . .
H2 H 0.5418 0.4296 0.5963 0.026 Uiso 1 1 d . U . . .
C3 C 0.60163(19) 0.42122(11) 0.64392(12) 0.0220(8) Uani 1 1 d . . . . .
H3 H 0.6372 0.4201 0.6310 0.026 Uiso 1 1 d . U . . .
C4 C 0.59289(18) 0.41842(10) 0.68761(11) 0.0182(8) Uani 1 1 d . . . . .
C5 C 0.63736(18) 0.41479(9) 0.71771(12) 0.0183(8) Uani 1 1 d . . . . .
C6 C 0.69538(19) 0.40586(10) 0.70327(12) 0.0205(8) Uani 1 1 d . . . . .
C7 C 0.7094(2) 0.36991(11) 0.69794(12) 0.0240(8) Uani 1 1 d . . . . .
C8 C 0.7628(2) 0.36127(13) 0.68287(15) 0.0323(10) Uani 1 1 d . . . . .
H8 H 0.7729 0.3370 0.6794 0.039 Uiso 1 1 d . U . . .
C9 C 0.8016(2) 0.38764(14) 0.67289(15) 0.0348(11) Uani 1 1 d . . . . .
C10 C 0.7873(2) 0.42306(14) 0.67889(15) 0.0323(10) Uani 1 1 d . . . . .
H10 H 0.8135 0.4412 0.6721 0.039 Uiso 1 1 d . U . . .
C11 C 0.7348(2) 0.43247(11) 0.69426(13) 0.0249(9) Uani 1 1 d . . . . .
C12 C 0.6689(2) 0.34029(11) 0.70752(15) 0.0322(10) Uani 1 1 d . . . . .
H12A H 0.6898 0.3180 0.7115 0.048 Uiso 1 1 d . U . . .
H12B H 0.6405 0.3376 0.6842 0.048 Uiso 1 1 d . U . . .
H12C H 0.6487 0.3462 0.7323 0.048 Uiso 1 1 d . U . . .
C13 C 0.8588(3) 0.3776(2) 0.6566(2) 0.0548(17) Uani 1 1 d . . . . .
H13A H 0.8589 0.3836 0.6272 0.082 Uiso 1 1 d . U . . .
H13B H 0.8657 0.3523 0.6606 0.082 Uiso 1 1 d . U . . .
H13C H 0.8887 0.3916 0.6716 0.082 Uiso 1 1 d . U . . .
C14 C 0.7202(2) 0.47131(12) 0.70011(15) 0.0331(10) Uani 1 1 d . . . . .
H14A H 0.7526 0.4863 0.6940 0.050 Uiso 1 1 d . U . . .
H14B H 0.7098 0.4753 0.7287 0.050 Uiso 1 1 d . U . . .
H14C H 0.6871 0.4776 0.6816 0.050 Uiso 1 1 d . U . . .
C15 C 0.63052(18) 0.41869(10) 0.76008(12) 0.0187(8) Uani 1 1 d . . . . .
C16 C 0.67677(19) 0.42257(11) 0.79044(12) 0.0218(8) Uani 1 1 d . . . . .
H16 H 0.7161 0.4215 0.7854 0.026 Uiso 1 1 d . U . . .
C17 C 0.65300(19) 0.42741(11) 0.82721(12) 0.0226(8) Uani 1 1 d . . . . .
H17 H 0.6729 0.4312 0.8531 0.027 Uiso 1 1 d . U . . .
C18 C 0.59179(18) 0.42549(9) 0.81986(11) 0.0177(7) Uani 1 1 d . . . . .
C19 C 0.55146(18) 0.42789(9) 0.85029(11) 0.0170(7) Uani 1 1 d . . . . .
C20 C 0.57379(18) 0.43109(10) 0.89390(11) 0.0189(8) Uani 1 1 d . . . . .
C21 C 0.6047(2) 0.40339(11) 0.91251(12) 0.0234(8) Uani 1 1 d . . . . .
H21 H 0.6114 0.3823 0.8974 0.028 Uiso 1 1 d . U . . .
C22 C 0.6248(2) 0.40627(11) 0.95303(13) 0.0256(9) Uani 1 1 d . . . . .
H22 H 0.6467 0.3874 0.9655 0.031 Uiso 1 1 d . U . . .
C23 C 0.6146(2) 0.43682(11) 0.97555(12) 0.0253(9) Uani 1 1 d . . . . .
H23 H 0.6278 0.4386 1.0035 0.030 Uiso 1 1 d . U . . .
C24 C 0.5844(2) 0.46495(10) 0.95691(12) 0.0223(8) Uani 1 1 d . . . . .
C25 C 0.56360(19) 0.46218(10) 0.91640(12) 0.0217(8) Uani 1 1 d . . . . .
H25 H 0.5426 0.4814 0.9038 0.026 Uiso 1 1 d . U . . .
C26 C 0.5484(2) 0.52450(11) 0.96393(13) 0.0285(10) Uani 1 1 d . . . . .
H26A H 0.5083 0.5186 0.9556 0.034 Uiso 1 1 d . U . . .
H26B H 0.5679 0.5325 0.9390 0.034 Uiso 1 1 d . U . . .
C27 C 0.5506(2) 0.55356(11) 0.99602(13) 0.0286(10) Uani 1 1 d . . . . .
H27A H 0.5909 0.5587 1.0043 0.034 Uiso 1 1 d . U . . .
H27B H 0.5312 0.5451 1.0206 0.034 Uiso 1 1 d . U . . .
C28 C 0.5219(2) 0.58774(11) 0.98044(13) 0.0289(10) Uani 1 1 d . . . . .
H28A H 0.4818 0.5826 0.9713 0.035 Uiso 1 1 d . U . . .
H28B H 0.5419 0.5967 0.9563 0.035 Uiso 1 1 d . U . . .
C29 C 0.5225(2) 0.61679(11) 1.01338(13) 0.0299(10) Uani 1 1 d . . . . .
H29A H 0.5090 0.6065 1.0391 0.036 Uiso 1 1 d . U . . .
H29B H 0.5622 0.6250 1.0187 0.036 Uiso 1 1 d . U . . .
C30 C 0.4851(2) 0.64867(12) 1.00142(14) 0.0311(10) Uani 1 1 d . . . . .
H30A H 0.4461 0.6400 0.9946 0.037 Uiso 1 1 d . U . . .
H30B H 0.4834 0.6644 1.0258 0.037 Uiso 1 1 d . U . . .
C31 C 0.5045(2) 0.67083(11) 0.96570(13) 0.0279(9) Uani 1 1 d . . . . .
H31A H 0.5112 0.6554 0.9420 0.034 Uiso 1 1 d . U . . .
H31B H 0.4744 0.6885 0.9577 0.034 Uiso 1 1 d . U . . .
C32 C 0.4051(2) 0.77163(10) 0.81044(12) 0.0227(8) Uani 1 1 d . . . . .
C33 C 0.3945(2) 0.77154(12) 0.85354(13) 0.0279(9) Uani 1 1 d . . . . .
H33 H 0.3581 0.7745 0.8653 0.034 Uiso 1 1 d . U . . .
C34 C 0.4454(2) 0.76555(12) 0.87395(13) 0.0271(9) Uani 1 1 d . . . . .
H34 H 0.4518 0.7633 0.9030 0.032 Uiso 1 1 d . U . . .
C35 C 0.48802(19) 0.76298(10) 0.84337(12) 0.0214(8) Uani 1 1 d . . . . .
C36 C 0.54751(19) 0.76010(10) 0.85205(12) 0.0217(8) Uani 1 1 d . . . . .
C37 C 0.5682(2) 0.75442(11) 0.89555(12) 0.0243(9) Uani 1 1 d . . . . .
C38 C 0.6066(2) 0.77810(11) 0.91574(13) 0.0282(9) Uani 1 1 d . . . . .
H38 H 0.6178 0.7991 0.9022 0.034 Uiso 1 1 d . U . . .
C39 C 0.6283(2) 0.77069(13) 0.95523(14) 0.0320(10) Uani 1 1 d . . . . .
H39 H 0.6558 0.7860 0.9683 0.038 Uiso 1 1 d . U . . .
C40 C 0.6110(2) 0.74021(13) 0.97558(14) 0.0321(10) Uani 1 1 d . . . . .
H40 H 0.6256 0.7350 1.0028 0.039 Uiso 1 1 d . U . . .
C41 C 0.5718(2) 0.71735(11) 0.95631(13) 0.0264(9) Uani 1 1 d . . . . .
C42 C 0.5509(2) 0.72401(10) 0.91634(12) 0.0233(8) Uani 1 1 d . . . . .
H42 H 0.5249 0.7077 0.9031 0.028 Uiso 1 1 d . U . . .
C43 C 0.58919(19) 0.76240(10) 0.82221(13) 0.0218(8) Uani 1 1 d . . . . .
C44 C 0.6505(2) 0.76146(11) 0.83062(13) 0.0262(9) Uani 1 1 d . . . . .
H44 H 0.6702 0.7574 0.8564 0.031 Uiso 1 1 d . U . . .
C45 C 0.6750(2) 0.76755(11) 0.79431(13) 0.0258(9) Uani 1 1 d . . . . .
H45 H 0.7147 0.7693 0.7902 0.031 Uiso 1 1 d . U . . .
C46 C 0.62934(18) 0.77068(10) 0.76337(13) 0.0211(8) Uani 1 1 d . . . . .
C47 C 0.63746(19) 0.77518(10) 0.72131(13) 0.0215(8) Uani 1 1 d . . . . .
C48 C 0.69586(19) 0.78613(11) 0.70930(12) 0.0221(8) Uani 1 1 d . . . . .
C49 C 0.7080(2) 0.82271(11) 0.70659(13) 0.0252(9) Uani 1 1 d . . . . .
C50 C 0.7621(2) 0.83326(12) 0.69621(14) 0.0277(9) Uani 1 1 d . . . . .
H50 H 0.7700 0.8579 0.6945 0.033 Uiso 1 1 d . U . . .
C51 C 0.8046(2) 0.80868(13) 0.68810(13) 0.0289(10) Uani 1 1 d . . . . .
C52 C 0.7922(2) 0.77260(12) 0.69105(14) 0.0285(9) Uani 1 1 d . . . . .
H52 H 0.8202 0.7553 0.6853 0.034 Uiso 1 1 d . U . . .
C53 C 0.7385(2) 0.76108(11) 0.70223(13) 0.0259(9) Uani 1 1 d . . . . .
C54 C 0.6632(2) 0.85050(12) 0.71506(16) 0.0334(10) Uani 1 1 d . . . . .
H54A H 0.6815 0.8740 0.7186 0.050 Uiso 1 1 d . U . . .
H54B H 0.6444 0.8443 0.7405 0.050 Uiso 1 1 d . U . . .
H54C H 0.6350 0.8513 0.6921 0.050 Uiso 1 1 d . U . . .
C55 C 0.8633(2) 0.82143(14) 0.67619(16) 0.0373(11) Uani 1 1 d . . . . .
H55A H 0.8627 0.8260 0.6464 0.056 Uiso 1 1 d . U . . .
H55B H 0.8917 0.8025 0.6828 0.056 Uiso 1 1 d . U . . .
H55C H 0.8738 0.8430 0.6912 0.056 Uiso 1 1 d . U . . .
C56 C 0.7264(2) 0.72178(12) 0.70728(17) 0.0364(11) Uani 1 1 d . . . . .
H56A H 0.7612 0.7080 0.7033 0.055 Uiso 1 1 d . U . . .
H56B H 0.6965 0.7143 0.6867 0.055 Uiso 1 1 d . U . . .
H56C H 0.7129 0.7173 0.7349 0.055 Uiso 1 1 d . U . . .
C57 C 0.48002(19) 0.33685(10) 0.78161(12) 0.0209(8) Uani 1 1 d . . . . .
H57 H 0.4656 0.3499 0.8036 0.025 Uiso 1 1 d . U . . .
C58 C 0.4785(2) 0.29985(10) 0.78262(12) 0.0225(8) Uani 1 1 d . . . . .
H58 H 0.4638 0.2875 0.8053 0.027 Uiso 1 1 d . U . . .
C59 C 0.5000 0.28141(13) 0.7500 0.0201(11) Uani 1 2 d S T P . .
C60 C 0.4690(2) 0.22593(10) 0.71761(12) 0.0228(8) Uani 1 1 d . . . . .
C61 C 0.46934(19) 0.18659(10) 0.71861(12) 0.0208(8) Uani 1 1 d . . . . .
C62 C 0.4409(2) 0.16860(10) 0.68746(12) 0.0217(8) Uani 1 1 d . . . . .
H62 H 0.4231 0.1814 0.6653 0.026 Uiso 1 1 d . U . . .
C63 C 0.5000 0.16792(13) 0.7500 0.0196(11) Uani 1 2 d S T P . .
C64 C 0.5000 0.13053(13) 0.7500 0.0190(11) Uani 1 2 d S T P . .
C65 C 0.53704(19) 0.11176(9) 0.77883(12) 0.0191(8) Uani 1 1 d . . . . .
C66 C 0.56266(19) 0.13120(10) 0.81149(12) 0.0209(8) Uani 1 1 d . . . . .
C67 C 0.63677(19) 0.12564(10) 0.86368(12) 0.0203(8) Uani 1 1 d . . . . .
C68 C 0.6778(2) 0.14379(11) 0.84291(12) 0.0248(9) Uani 1 1 d . . . . .
H68 H 0.6715 0.1495 0.8148 0.030 Uiso 1 1 d . U . . .
C69 C 0.7286(2) 0.15346(11) 0.86363(13) 0.0252(9) Uani 1 1 d . . . . .
H69 H 0.7558 0.1665 0.8489 0.030 Uiso 1 1 d . U . . .
C70 C 0.7406(2) 0.14501(10) 0.90488(13) 0.0235(8) Uani 1 1 d . . . . .
C71 C 0.6983(2) 0.12576(11) 0.92446(12) 0.0253(9) Uani 1 1 d . . . . .
H71 H 0.7043 0.1192 0.9524 0.030 Uiso 1 1 d . U . . .
C72 C 0.6473(2) 0.11631(11) 0.90501(12) 0.0241(9) Uani 1 1 d . . . . .
H72 H 0.6195 0.1034 0.9190 0.029 Uiso 1 1 d . U . . .
C73 C 0.7969(2) 0.15433(12) 0.92723(13) 0.0280(9) Uani 1 1 d . . . . .
C74 C 0.8325(2) 0.18044(15) 0.90248(16) 0.0380(11) Uani 1 1 d . . . . .
H74A H 0.8677 0.1861 0.9183 0.057 Uiso 1 1 d . U . . .
H74B H 0.8102 0.2023 0.8973 0.057 Uiso 1 1 d . U . . .
H74C H 0.8412 0.1693 0.8765 0.057 Uiso 1 1 d . U . . .
C75 C 0.7867(3) 0.17149(16) 0.96897(16) 0.0422(13) Uani 1 1 d . . . . .
H75A H 0.7627 0.1563 0.9853 0.063 Uiso 1 1 d . U . . .
H75B H 0.7684 0.1949 0.9650 0.063 Uiso 1 1 d . U . . .
H75C H 0.8240 0.1751 0.9843 0.063 Uiso 1 1 d . U . . .
C76 C 0.8318(3) 0.11990(15) 0.93386(17) 0.0394(12) Uani 1 1 d . . . . .
H76A H 0.8105 0.1034 0.9513 0.059 Uiso 1 1 d . U . . .
H76B H 0.8686 0.1255 0.9478 0.059 Uiso 1 1 d . U . . .
H76C H 0.8375 0.1087 0.9074 0.059 Uiso 1 1 d . U . . .
C77 C 0.54508(19) 0.07332(10) 0.77219(12) 0.0199(8) Uani 1 1 d . . . . .
C78 C 0.59378(19) 0.05384(10) 0.78467(12) 0.0214(8) Uani 1 1 d . . . . .
C79 C 0.5955(2) 0.01656(10) 0.77990(13) 0.0243(9) Uani 1 1 d . . . . .
H79 H 0.6297 0.0041 0.7868 0.029 Uiso 1 1 d . U . . .
C80 C 0.5490(2) -0.00162(10) 0.76503(13) 0.0227(8) Uani 1 1 d . . . . .
C81 C 0.5000 0.01693(13) 0.7500 0.0206(11) Uani 1 2 d S T P . .
C82 C 0.5000 0.05462(13) 0.7500 0.0199(11) Uani 1 2 d S T P . .
C83 C 0.67347(19) 0.05463(10) 0.83167(12) 0.0213(8) Uani 1 1 d . . . . .
C84 C 0.73091(19) 0.05949(10) 0.83333(12) 0.0220(8) Uani 1 1 d . . . . .
H84 H 0.7485 0.0732 0.8130 0.026 Uiso 1 1 d . U . . .
C85 C 0.7641(2) 0.04405(11) 0.86532(13) 0.0254(9) Uani 1 1 d . . . . .
H85 H 0.8043 0.0478 0.8665 0.030 Uiso 1 1 d . U . . .
C86 C 0.7400(2) 0.02362(11) 0.89515(13) 0.0251(9) Uani 1 1 d . . . . .
C87 C 0.6806(2) 0.01993(11) 0.89347(13) 0.0276(9) Uani 1 1 d . . . . .
H87 H 0.6634 0.0064 0.9141 0.033 Uiso 1 1 d . U . . .
C88 C 0.6467(2) 0.03553(11) 0.86223(13) 0.0248(9) Uani 1 1 d . . . . .
H88 H 0.6059 0.0333 0.8618 0.030 Uiso 1 1 d . U . . .
C89 C 0.7760(2) 0.00531(12) 0.92986(14) 0.0320(10) Uani 1 1 d . . . . .
C90 C 0.7588(3) 0.02075(14) 0.97168(15) 0.0406(13) Uani 1 1 d . . . . .
H90A H 0.7825 0.0095 0.9941 0.061 Uiso 1 1 d . U . . .
H90B H 0.7186 0.0152 0.9757 0.061 Uiso 1 1 d . U . . .
H90C H 0.7648 0.0464 0.9725 0.061 Uiso 1 1 d . U . . .
C91 C 0.8400(3) 0.01042(15) 0.92526(16) 0.0388(12) Uani 1 1 d . . . . .
H91A H 0.8505 0.0019 0.8983 0.058 Uiso 1 1 d . U . . .
H91B H 0.8614 -0.0026 0.9470 0.058 Uiso 1 1 d . U . . .
H91C H 0.8494 0.0361 0.9278 0.058 Uiso 1 1 d . U . . .
C92 C 0.7632(3) -0.03487(14) 0.92875(17) 0.0454(14) Uani 1 1 d . . . . .
H92A H 0.7658 -0.0437 0.9007 0.068 Uiso 1 1 d . U . . .
H92B H 0.7244 -0.0389 0.9381 0.068 Uiso 1 1 d . U . . .
H92C H 0.7908 -0.0475 0.9471 0.068 Uiso 1 1 d . U . . .
C93 C 0.5508(2) -0.04093(10) 0.76330(13) 0.0251(9) Uani 1 1 d . . . . .
N8 N 0.5000 -0.05782(11) 0.7500 0.0210(10) Uani 1 2 d S T P . .
C94 C 0.5000 -0.09623(13) 0.7500 0.0212(11) Uani 1 2 d S T P . .
C95 C 0.5021(2) -0.11450(10) 0.71328(12) 0.0247(9) Uani 1 1 d . . . . .
H95 H 0.5029 -0.1021 0.6879 0.030 Uiso 1 1 d . U . . .
C97 C 0.5019(2) 0.84883(10) 0.71502(12) 0.0257(9) Uani 1 1 d . . . . .
H97 H 0.5041 0.8358 0.6901 0.031 Uiso 1 1 d . U . . .
C1S C 0.4700(4) 0.11082(17) 0.39497(19) 0.058(2) Uani 1 1 d . . . . .
C2S C 0.5130(3) 0.08592(17) 0.39462(18) 0.0491(15) Uani 1 1 d . . . . .
H2S H 0.5494 0.0921 0.4061 0.059 Uiso 1 1 d . U . . .
C3S C 0.5046(3) 0.05265(17) 0.37877(19) 0.0525(16) Uani 1 1 d . . . . .
H3S H 0.5349 0.0363 0.3786 0.063 Uiso 1 1 d . U . . .
C4S C 0.4527(5) 0.0421(3) 0.3631(2) 0.075(3) Uani 1 1 d . . . . .
C5S C 0.4094(4) 0.0661(4) 0.3616(2) 0.088(3) Uani 1 1 d . . . . .
H5S H 0.3746 0.0578 0.3489 0.106 Uiso 1 1 d . U . . .
C6S C 0.4168(4) 0.1001(3) 0.3773(3) 0.088(4) Uani 1 1 d . . . . .
H6S H 0.3850 0.1152 0.3757 0.106 Uiso 1 1 d . U . . .
C7S C 0.4776(7) 0.1477(2) 0.4128(3) 0.130(6) Uani 1 1 d . . . . .
H7S1 H 0.4597 0.1494 0.4389 0.195 Uiso 1 1 d . U . . .
H7S2 H 0.4603 0.1651 0.3932 0.195 Uiso 1 1 d . U . . .
H7S3 H 0.5189 0.1534 0.4166 0.195 Uiso 1 1 d . U . . .
C8S C 0.4432(8) 0.0047(4) 0.3481(3) 0.168(8) Uani 1 1 d . . . . .
H8S1 H 0.4292 -0.0099 0.3702 0.251 Uiso 1 1 d . U . . .
H8S2 H 0.4783 -0.0048 0.3380 0.251 Uiso 1 1 d . U . . .
H8S3 H 0.4134 0.0048 0.3249 0.251 Uiso 1 1 d . U . . .
C1T C 0.6884(3) 0.18300(15) 0.05669(15) 0.0394(12) Uani 1 1 d . . . . .
C2T C 0.6620(3) 0.15760(17) 0.03112(16) 0.0430(13) Uani 1 1 d . . . . .
H2T H 0.6349 0.1651 0.0099 0.052 Uiso 1 1 d . U . . .
C3T C 0.6744(3) 0.12187(17) 0.03601(15) 0.0433(13) Uani 1 1 d . . . . .
H3T H 0.6556 0.1052 0.0179 0.052 Uiso 1 1 d . U . . .
C4T C 0.7131(2) 0.10969(14) 0.06635(16) 0.0364(11) Uani 1 1 d . . . . .
C5T C 0.7388(3) 0.13526(14) 0.09207(16) 0.0382(11) Uani 1 1 d . . . . .
H5T H 0.7648 0.1282 0.1133 0.046 Uiso 1 1 d . U . . .
C6T C 0.7267(3) 0.17111(15) 0.08733(16) 0.0411(12) Uani 1 1 d . . . . .
H6T H 0.7443 0.1877 0.1054 0.049 Uiso 1 1 d . U . . .
C7T C 0.6769(3) 0.22209(18) 0.05029(19) 0.0533(16) Uani 1 1 d . . . . .
H7T1 H 0.7029 0.2357 0.0685 0.080 Uiso 1 1 d . U . . .
H7T2 H 0.6374 0.2272 0.0558 0.080 Uiso 1 1 d . U . . .
H7T3 H 0.6841 0.2279 0.0214 0.080 Uiso 1 1 d . U . . .
C8T C 0.7267(3) 0.07100(15) 0.07157(19) 0.0457(14) Uani 1 1 d . . . . .
H8T1 H 0.7107 0.0625 0.0970 0.069 Uiso 1 1 d . U . . .
H8T2 H 0.7674 0.0673 0.0720 0.069 Uiso 1 1 d . U . . .
H8T3 H 0.7081 0.0578 0.0481 0.069 Uiso 1 1 d . U . . .
C1U C 0.8424(3) 0.21366(15) 0.41040(16) 0.0409(12) Uani 1 1 d . . . . .
C2U C 0.8842(3) 0.23967(14) 0.41159(17) 0.0431(13) Uani 1 1 d . . . . .
H2U H 0.8740 0.2634 0.4177 0.052 Uiso 1 1 d . U . . .
C3U C 0.9406(3) 0.23198(14) 0.40470(16) 0.0411(12) Uani 1 1 d . . . . .
H3U H 0.9677 0.2509 0.4055 0.049 Uiso 1 1 d . U . . .
C4U C 0.9576(2) 0.19789(14) 0.39633(14) 0.0348(11) Uani 1 1 d . . . . .
C5U C 0.9167(3) 0.17127(14) 0.39507(17) 0.0438(13) Uani 1 1 d . . . . .
H5U H 0.9262 0.1471 0.3895 0.053 Uiso 1 1 d . U . . .
C6U C 0.8595(3) 0.17921(16) 0.40196(19) 0.0487(14) Uani 1 1 d . . . . .
H6U H 0.8322 0.1605 0.4009 0.058 Uiso 1 1 d . U . . .
C7U C 0.7816(3) 0.2221(2) 0.4193(2) 0.0639(19) Uani 1 1 d . . . . .
H7U1 H 0.7719 0.2103 0.4450 0.096 Uiso 1 1 d . U . . .
H7U2 H 0.7565 0.2133 0.3966 0.096 Uiso 1 1 d . U . . .
H7U3 H 0.7774 0.2478 0.4221 0.096 Uiso 1 1 d . U . . .
C8U C 1.0190(3) 0.18969(18) 0.38876(17) 0.0485(14) Uani 1 1 d . . . . .
H8U1 H 1.0323 0.2055 0.3676 0.073 Uiso 1 1 d . U . . .
H8U2 H 1.0211 0.1646 0.3792 0.073 Uiso 1 1 d . U . . .
H8U3 H 1.0420 0.1923 0.4142 0.073 Uiso 1 1 d . U . . .
C1V C 0.3877(3) 0.23936(17) 0.55665(18) 0.0473(14) Uani 1 1 d . . . . .
C2V C 0.4249(3) 0.25042(18) 0.52665(19) 0.0537(16) Uani 1 1 d . . . . .
H2V H 0.4176 0.2721 0.5125 0.064 Uiso 1 1 d . U . . .
C3V C 0.4704(3) 0.22949(19) 0.51609(19) 0.0542(17) Uani 1 1 d . . . . .
H3V H 0.4949 0.2376 0.4956 0.065 Uiso 1 1 d . U . . .
C4V C 0.4818(3) 0.19710(17) 0.53562(19) 0.0481(14) Uani 1 1 d . . . . .
C5V C 0.4439(3) 0.18590(15) 0.56455(17) 0.0453(14) Uani 1 1 d . . . . .
H5V H 0.4510 0.1637 0.5781 0.054 Uiso 1 1 d . U . . .
C6V C 0.3983(3) 0.20637(16) 0.57483(16) 0.0445(13) Uani 1 1 d . . . . .
H6V H 0.3728 0.1981 0.5946 0.053 Uiso 1 1 d . U . . .
C7V C 0.3385(3) 0.2620(2) 0.5682(2) 0.0605(17) Uani 1 1 d . . . . .
H7V1 H 0.3034 0.2538 0.5526 0.091 Uiso 1 1 d . U . . .
H7V2 H 0.3453 0.2868 0.5621 0.091 Uiso 1 1 d . U . . .
H7V3 H 0.3320 0.2591 0.5978 0.091 Uiso 1 1 d . U . . .
C8V C 0.5326(3) 0.1750(2) 0.5259(2) 0.0654(19) Uani 1 1 d . . . . .
H8V1 H 0.5459 0.1820 0.4988 0.098 Uiso 1 1 d . U . . .
H8V2 H 0.5232 0.1502 0.5265 0.098 Uiso 1 1 d . U . . .
H8V3 H 0.5637 0.1804 0.5469 0.098 Uiso 1 1 d . U . . .
C1W C 0.4444(3) 0.04286(16) 0.50777(19) 0.0470(14) Uani 1 1 d . . . . .
C2W C 0.4152(3) 0.03734(17) 0.47029(18) 0.0491(15) Uani 1 1 d . . . . .
H2W H 0.4130 0.0562 0.4507 0.059 Uiso 1 1 d . U . . .
C3W C 0.3894(3) 0.00500(19) 0.46093(19) 0.0537(16) Uani 1 1 d . . . . .
H3W H 0.3701 0.0020 0.4349 0.064 Uiso 1 1 d . U . . .
C4W C 0.3905(3) -0.02249(17) 0.4885(2) 0.0482(14) Uani 1 1 d . . . . .
C5W C 0.4195(3) -0.01754(16) 0.52590(19) 0.0479(14) Uani 1 1 d . . . . .
H5W H 0.4217 -0.0363 0.5455 0.058 Uiso 1 1 d . U . . .
C6W C 0.4459(3) 0.01458(17) 0.53561(18) 0.0481(14) Uani 1 1 d . . . . .
H6W H 0.4651 0.0174 0.5618 0.058 Uiso 1 1 d . U . . .
C7W C 0.4737(3) 0.0773(2) 0.5177(3) 0.066(2) Uani 1 1 d . . . . .
H7W1 H 0.4873 0.0784 0.5455 0.099 Uiso 1 1 d . U . . .
H7W2 H 0.4456 0.0973 0.5117 0.099 Uiso 1 1 d . U . . .
H7W3 H 0.5052 0.0809 0.4987 0.099 Uiso 1 1 d . U . . .
C8W C 0.3620(4) -0.0579(2) 0.4785(3) 0.071(2) Uani 1 1 d . . . . .
H8W1 H 0.3213 -0.0558 0.4816 0.107 Uiso 1 1 d . U . . .
H8W2 H 0.3782 -0.0760 0.4978 0.107 Uiso 1 1 d . U . . .
H8W3 H 0.3703 -0.0646 0.4504 0.107 Uiso 1 1 d . U . . .
C1X C 0.6299(3) 0.19648(16) 0.69706(18) 0.0442(13) Uani 1 1 d . . . . .
C2X C 0.5906(3) 0.19184(17) 0.66486(19) 0.0478(14) Uani 1 1 d . . . . .
H2X H 0.5752 0.2122 0.6502 0.057 Uiso 1 1 d . U . . .
C3X C 0.5720(3) 0.15824(19) 0.65212(18) 0.0514(15) Uani 1 1 d . . . . .
H3X H 0.5441 0.1567 0.6301 0.062 Uiso 1 1 d . U . . .
C4X C 0.5928(3) 0.12796(17) 0.67167(19) 0.0480(14) Uani 1 1 d . . . . .
C5X C 0.6319(3) 0.13251(15) 0.70496(18) 0.0445(13) Uani 1 1 d . . . . .
H5X H 0.6464 0.1119 0.7194 0.053 Uiso 1 1 d . U . . .
C6X C 0.6505(3) 0.16544(16) 0.71702(16) 0.0436(13) Uani 1 1 d . . . . .
H6X H 0.6787 0.1674 0.7391 0.052 Uiso 1 1 d . U . . .
C7X C 0.6505(3) 0.23293(18) 0.7097(2) 0.0597(18) Uani 1 1 d . . . . .
H7X1 H 0.6421 0.2502 0.6876 0.090 Uiso 1 1 d . U . . .
H7X2 H 0.6924 0.2326 0.7156 0.090 Uiso 1 1 d . U . . .
H7X3 H 0.6319 0.2407 0.7346 0.090 Uiso 1 1 d . U . . .
C8X C 0.5737(4) 0.09154(19) 0.6573(3) 0.066(2) Uani 1 1 d . . . . .
H8X1 H 0.6016 0.0818 0.6387 0.098 Uiso 1 1 d . U . . .
H8X2 H 0.5362 0.0930 0.6430 0.098 Uiso 1 1 d . U . . .
H8X3 H 0.5716 0.0757 0.6813 0.098 Uiso 1 1 d . U . . .
C1Y C 0.2639(4) 0.14782(18) 0.9938(3) 0.080(3) Uani 1 1 d . . . . .
C2Y C 0.3101(3) 0.15042(16) 0.9695(3) 0.0594(18) Uani 1 1 d . . . . .
H2Y H 0.3475 0.1445 0.9814 0.071 Uiso 1 1 d . U . . .
C3Y C 0.3048(3) 0.16221(16) 0.9296(2) 0.0547(16) Uani 1 1 d . . . . .
H3Y H 0.3374 0.1624 0.9133 0.066 Uiso 1 1 d . U . . .
C4Y C 0.2528(3) 0.17282(16) 0.9114(3) 0.0596(18) Uani 1 1 d . . . . .
C5Y C 0.2058(4) 0.1703(2) 0.9359(3) 0.075(2) Uani 1 1 d . . . . .
H5Y H 0.1690 0.1766 0.9242 0.090 Uiso 1 1 d . U . . .
C6Y C 0.2095(4) 0.1587(2) 0.9752(3) 0.079(3) Uani 1 1 d . . . . .
H6Y H 0.1760 0.1578 0.9902 0.095 Uiso 1 1 d . U . . .
C7Y C 0.2471(4) 0.1844(2) 0.8675(3) 0.073(2) Uani 1 1 d . . . . .
H7Y1 H 0.2795 0.1990 0.8609 0.109 Uiso 1 1 d . U . . .
H7Y2 H 0.2115 0.1988 0.8636 0.109 Uiso 1 1 d . U . . .
H7Y3 H 0.2440 0.1636 0.8496 0.109 Uiso 1 1 d . U . . .
C8Y C 0.2702(6) 0.1341(2) 1.0373(4) 0.106(4) Uani 1 1 d . . . . .
H8Y1 H 0.3100 0.1348 1.0467 0.159 Uiso 1 1 d . U . . .
H8Y2 H 0.2553 0.1097 1.0388 0.159 Uiso 1 1 d . U . . .
H8Y3 H 0.2475 0.1495 1.0553 0.159 Uiso 1 1 d . U . . .
C1Z C 0.2742(3) 0.03302(16) 0.83582(18) 0.0449(13) Uani 1 1 d . . . . .
C2Z C 0.2777(3) 0.06669(16) 0.85334(19) 0.0472(14) Uani 1 1 d . . . . .
H2Z H 0.2988 0.0848 0.8404 0.057 Uiso 1 1 d . U . . .
C3Z C 0.2524(3) 0.07416(14) 0.88956(18) 0.0419(12) Uani 1 1 d . . . . .
H3Z H 0.2551 0.0978 0.9004 0.050 Uiso 1 1 d . U . . .
C4Z C 0.2226(3) 0.04827(14) 0.90996(17) 0.0394(12) Uani 1 1 d . . . . .
C5Z C 0.2189(3) 0.01449(14) 0.8924(2) 0.0461(14) Uani 1 1 d . . . . .
H5Z H 0.1977 -0.0039 0.9055 0.055 Uiso 1 1 d . U . . .
C6Z C 0.2446(3) 0.00721(15) 0.8563(2) 0.0496(14) Uani 1 1 d . . . . .
H6Z H 0.2418 -0.0162 0.8450 0.060 Uiso 1 1 d . U . . .
C7Z C 0.2991(4) 0.0254(2) 0.7948(2) 0.067(2) Uani 1 1 d . . . . .
H7Z1 H 0.2895 0.0021 0.7858 0.100 Uiso 1 1 d . U . . .
H7Z2 H 0.3411 0.0285 0.7982 0.100 Uiso 1 1 d . U . . .
H7Z3 H 0.2843 0.0436 0.7751 0.100 Uiso 1 1 d . U . . .
C8Z C 0.1929(3) 0.05767(19) 0.9486(2) 0.0551(16) Uani 1 1 d . . . . .
H8Z1 H 0.2206 0.0679 0.9684 0.083 Uiso 1 1 d . U . . .
H8Z2 H 0.1770 0.0356 0.9601 0.083 Uiso 1 1 d . U . . .
H8Z3 H 0.1620 0.0744 0.9422 0.083 Uiso 1 1 d . U . . .
N1 N 0.53612(15) 0.42145(8) 0.69442(9) 0.0173(6) Uani 1 1 d . . . . .
N2 N 0.57943(15) 0.42087(8) 0.77863(9) 0.0171(6) Uani 1 1 d . . . . .
N3 N 0.57772(16) 0.76706(8) 0.78100(10) 0.0206(7) Uani 1 1 d . . . . .
N4 N 0.46224(16) 0.76629(8) 0.80522(10) 0.0202(7) Uani 1 1 d . . . . .
N5 N 0.5000 0.35522(11) 0.7500 0.0182(9) Uani 1 2 d S T P . .
N6 N 0.5000 0.24308(11) 0.7500 0.0214(10) Uani 1 2 d S T P . .
N7 N 0.5000 0.83057(11) 0.7500 0.0187(9) Uani 1 2 d S T P . .
O1 O 0.57704(16) 0.49400(8) 0.98164(9) 0.0290(7) Uani 1 1 d . . . . .
O2 O 0.55600(16) 0.68861(9) 0.97903(10) 0.0335(8) Uani 1 1 d . . . . .
O3 O 0.44356(16) 0.24307(7) 0.69106(10) 0.0312(7) Uani 1 1 d . . . . .
O4 O 0.58555(14) 0.11337(7) 0.84513(9) 0.0226(6) Uani 1 1 d . . . . .
O5 O 0.64139(14) 0.07105(7) 0.79933(9) 0.0224(6) Uani 1 1 d . . . . .
O6 O 0.59300(16) -0.05825(8) 0.77284(12) 0.0378(8) Uani 1 1 d . . . . .
Zn1 Zn 0.5000 0.41269(2) 0.7500 0.01518(15) Uani 1 2 d S T P . .
Zn2 Zn 0.5000 0.77399(2) 0.7500 0.01751(16) Uani 1 2 d S T P . .
C1D C 0.5804(4) 0.6301(2) 0.8325(2) 0.125(6) Uani 0.25 1 d DG U P A -1
C2D C 0.5238(4) 0.6317(2) 0.8457(2) 0.112(6) Uani 0.25 1 d DG U P A -1
C3D C 0.4887(4) 0.6586(2) 0.8286(2) 0.083(5) Uani 0.25 1 d DG U P A -1
C4D C 0.5105(4) 0.68043(17) 0.7951(3) 0.073(5) Uani 0.25 1 d DG U P A -1
C5D C 0.5649(4) 0.67684(18) 0.7804(3) 0.100(5) Uani 0.25 1 d DG U P A -1
C6D C 0.6016(4) 0.6531(2) 0.8012(3) 0.120(6) Uani 0.25 1 d DG U P A -1
C7D C 0.6447(3) 0.6331(2) 0.7791(3) 0.120(6) Uani 0.25 1 d DG U P A -1
C8D C 0.6524(3) 0.5983(3) 0.7977(3) 0.129(6) Uani 0.25 1 d DG U P A -1
C9D C 0.6124(4) 0.5951(3) 0.8316(3) 0.137(6) Uani 0.25 1 d DG U P A -1
C10D C 0.5847(4) 0.5646(2) 0.8394(2) 0.133(6) Uani 0.25 1 d DG U P A -1
C11D C 0.5249(4) 0.5623(2) 0.84834(18) 0.129(6) Uani 0.25 1 d DG U P A -1
C12D C 0.4955(4) 0.5957(2) 0.85284(17) 0.121(6) Uani 0.25 1 d DG U P A -1
C13D C 0.4336(4) 0.5909(2) 0.84515(18) 0.102(5) Uani 0.25 1 d DG U P A -1
C14D C 0.4034(4) 0.6237(2) 0.8324(2) 0.115(6) Uani 0.25 1 d DG U P A -1
C15D C 0.4316(4) 0.6547(2) 0.8253(2) 0.086(5) Uani 0.25 1 d DG U P A -1
C16D C 0.4098(4) 0.67542(17) 0.7875(3) 0.105(5) Uani 0.25 1 d DG U P A -1
C17D C 0.4638(4) 0.69217(15) 0.7717(3) 0.093(5) Uani 0.25 1 d DG U P A -1
C18D C 0.4651(4) 0.69404(13) 0.7306(3) 0.107(5) Uani 0.25 1 d DG U P A -1
C19D C 0.5200(4) 0.68690(14) 0.7105(3) 0.096(5) Uani 0.25 1 d DG U P A -1
C20D C 0.5655(4) 0.67889(17) 0.7321(3) 0.051(4) Uani 0.25 1 d DG U P A -1
C21D C 0.6080(3) 0.6593(2) 0.7144(3) 0.090(5) Uani 0.25 1 d DG U P A -1
C22D C 0.6494(3) 0.6354(2) 0.7392(3) 0.122(6) Uani 0.25 1 d DG U P A -1
C23D C 0.6579(3) 0.6038(2) 0.7140(3) 0.120(6) Uani 0.25 1 d DG U P A -1
C24D C 0.6665(3) 0.5699(3) 0.7323(3) 0.119(6) Uani 0.25 1 d DG U P A -1
C25D C 0.6626(3) 0.5677(3) 0.7772(3) 0.127(6) Uani 0.25 1 d DG U P A -1
C26D C 0.6331(3) 0.5328(2) 0.7840(3) 0.119(6) Uani 0.25 1 d DG U P A -1
C27D C 0.5977(4) 0.5316(2) 0.8154(3) 0.106(6) Uani 0.25 1 d DG U P A -1
C28D C 0.5422(4) 0.51371(19) 0.8092(2) 0.105(6) Uani 0.25 1 d DG U P A -1
C29D C 0.4985(4) 0.5321(2) 0.8305(2) 0.104(5) Uani 0.25 1 d DG U P A -1
C30D C 0.4407(4) 0.53297(19) 0.8160(2) 0.066(4) Uani 0.25 1 d DG U P A -1
C31D C 0.4086(4) 0.5610(2) 0.8274(2) 0.080(5) Uani 0.25 1 d DG U P A -1
C32D C 0.3623(3) 0.5731(2) 0.8014(2) 0.097(5) Uani 0.25 1 d DG U P A -1
C33D C 0.3550(3) 0.6103(2) 0.8040(3) 0.111(6) Uani 0.25 1 d DG U P A -1
C34D C 0.3402(3) 0.6303(2) 0.7709(3) 0.116(6) Uani 0.25 1 d DG U P A -1
C35D C 0.3682(3) 0.66415(18) 0.7627(3) 0.112(6) Uani 0.25 1 d DG U P A -1
C36D C 0.3713(3) 0.66704(18) 0.7193(3) 0.092(5) Uani 0.25 1 d DG U P A -1
C37D C 0.4188(4) 0.68321(15) 0.7027(3) 0.093(5) Uani 0.25 1 d DG U P A -1
C38D C 0.4425(4) 0.66663(17) 0.6688(2) 0.090(5) Uani 0.25 1 d DG U P A -1
C39D C 0.5041(4) 0.66976(16) 0.6732(2) 0.085(5) Uani 0.25 1 d DG U P A -1
C40D C 0.5409(4) 0.64375(19) 0.6576(2) 0.073(5) Uani 0.25 1 d DG U P A -1
C41D C 0.5940(3) 0.6409(2) 0.6774(3) 0.108(5) Uani 0.25 1 d DG U P A -1
C42D C 0.6225(3) 0.6074(2) 0.6770(3) 0.114(6) Uani 0.25 1 d DG U P A -1
C43D C 0.5966(3) 0.5796(2) 0.6586(3) 0.108(5) Uani 0.25 1 d DG U P A -1
C44D C 0.6042(3) 0.5431(2) 0.6764(3) 0.108(6) Uani 0.25 1 d DG U P A -1
C45D C 0.6395(3) 0.5422(2) 0.7127(3) 0.119(6) Uani 0.25 1 d DG U P A -1
C46D C 0.6161(3) 0.5159(2) 0.7473(3) 0.112(6) Uani 0.25 1 d DG U P A -1
C47D C 0.5687(4) 0.49955(17) 0.7365(3) 0.104(5) Uani 0.25 1 d DG U P A -1
C48D C 0.5270(4) 0.49826(16) 0.7732(3) 0.090(5) Uani 0.25 1 d DG U P A -1
C49D C 0.4727(4) 0.49923(14) 0.7550(2) 0.076(5) Uani 0.25 1 d DG U P A -1
C50D C 0.4272(4) 0.51440(16) 0.7776(2) 0.063(4) Uani 0.25 1 d DG U P A -1
C51D C 0.3820(3) 0.52951(17) 0.7493(2) 0.059(4) Uani 0.25 1 d DG U P A -1
C52D C 0.3514(3) 0.5565(2) 0.7638(3) 0.074(5) Uani 0.25 1 d DG U P A -1
C53D C 0.3309(3) 0.5794(2) 0.7298(3) 0.086(5) Uani 0.25 1 d DG U P A -1
C54D C 0.3277(3) 0.6149(2) 0.7328(3) 0.096(5) Uani 0.25 1 d DG U P A -1
C55D C 0.3450(3) 0.6382(2) 0.7001(3) 0.088(5) Uani 0.25 1 d DG U P A -1
C56D C 0.3678(3) 0.6226(2) 0.6689(2) 0.057(4) Uani 0.25 1 d DG U P A -1
C57D C 0.4202(4) 0.63762(19) 0.6504(2) 0.076(5) Uani 0.25 1 d DG U P A -1
C58D C 0.4534(4) 0.6101(2) 0.63635(17) 0.068(5) Uani 0.25 1 d DG U P A -1
C59D C 0.4239(4) 0.5767(2) 0.64416(18) 0.058(4) Uani 0.25 1 d DG U P A -1
C60D C 0.4565(4) 0.54692(18) 0.65406(18) 0.070(5) Uani 0.25 1 d DG U P A -1
C61D C 0.5124(4) 0.54676(19) 0.6477(2) 0.054(4) Uani 0.25 1 d DG U P A -1
C62D C 0.5536(4) 0.52406(18) 0.6715(2) 0.095(5) Uani 0.25 1 d DG U P A -1
C63D C 0.5348(4) 0.50356(15) 0.7019(3) 0.093(5) Uani 0.25 1 d DG U P A -1
C64D C 0.4768(4) 0.50374(14) 0.7091(2) 0.064(4) Uani 0.25 1 d DG U P A -1
C65D C 0.4335(4) 0.52249(15) 0.6878(2) 0.055(4) Uani 0.25 1 d DG U P A -1
C66D C 0.3848(3) 0.53265(17) 0.7074(2) 0.059(4) Uani 0.25 1 d DG U P A -1
C67D C 0.3530(3) 0.5641(2) 0.6947(2) 0.062(4) Uani 0.25 1 d DG U P A -1
C68D C 0.3723(3) 0.5849(2) 0.6651(2) 0.065(4) Uani 0.25 1 d DG U P A -1
C69D C 0.5129(4) 0.6120(2) 0.63796(19) 0.090(5) Uani 0.25 1 d DG U P A -1
C70D C 0.5429(4) 0.5814(2) 0.6403(2) 0.072(5) Uani 0.25 1 d DG U P A -1
C1D' C 0.5821(5) 0.6528(3) 0.8189(4) 0.089(3) Uani 0.25 1 d D U P B -2
C2D' C 0.5245(4) 0.6557(3) 0.8304(4) 0.089(3) Uani 0.25 1 d D U P B -2
C3D' C 0.4887(4) 0.6760(3) 0.8038(3) 0.082(3) Uani 0.25 1 d D U P B -2
C4D' C 0.5092(4) 0.6885(4) 0.7642(3) 0.071(3) Uani 0.25 1 d D U P B -2
C5D' C 0.5644(4) 0.6827(4) 0.7515(3) 0.080(3) Uani 0.25 1 d D U P B -2
C6D' C 0.6019(5) 0.6670(3) 0.7807(3) 0.081(3) Uani 0.25 1 d D U P B -2
C7D' C 0.6464(5) 0.6429(3) 0.7666(3) 0.082(3) Uani 0.25 1 d D U P B -2
C8D' C 0.6566(5) 0.6151(3) 0.7970(3) 0.085(3) Uani 0.25 1 d D U P B -2
C9D' C 0.6162(5) 0.6196(3) 0.8306(4) 0.090(3) Uani 0.25 1 d D U P B -2
C10' C 0.5906(5) 0.5917(3) 0.8486(4) 0.093(3) Uani 0.25 1 d D U P B -2
C11' C 0.5306(4) 0.5900(3) 0.8578(4) 0.093(3) Uani 0.25 1 d D U P B -2
C12' C 0.4987(4) 0.6224(3) 0.8492(5) 0.093(3) Uani 0.25 1 d D U P B -2
C13' C 0.4374(5) 0.6137(3) 0.8429(4) 0.080(3) Uani 0.25 1 d D U P B -2
C14' C 0.4066(5) 0.6406(3) 0.8176(3) 0.080(3) Uani 0.25 1 d D U P B -2
C15' C 0.4321(4) 0.6691(3) 0.8007(3) 0.073(3) Uani 0.25 1 d D U P B -2
C16' C 0.4105(4) 0.6778(3) 0.7571(3) 0.063(3) Uani 0.25 1 d D U P B -2
C17' C 0.4634(4) 0.6911(3) 0.7366(3) 0.068(3) Uani 0.25 1 d D U P B -2
C18' C 0.4649(4) 0.6825(3) 0.6967(3) 0.051(3) Uani 0.25 1 d D U P B -2
C19' C 0.5208(4) 0.6729(3) 0.6797(3) 0.065(3) Uani 0.25 1 d D U P B -2
C20' C 0.5649(5) 0.6723(4) 0.7047(3) 0.075(3) Uani 0.25 1 d D U P B -2
C21' C 0.6090(5) 0.6499(3) 0.6950(3) 0.082(3) Uani 0.25 1 d D U P B -2
C22' C 0.6506(5) 0.6350(3) 0.7276(3) 0.087(3) Uani 0.25 1 d D U P B -2
C23' C 0.6622(5) 0.5986(3) 0.7145(3) 0.091(3) Uani 0.25 1 d D U P B -2
C24' C 0.6728(5) 0.5718(3) 0.7441(3) 0.092(3) Uani 0.25 1 d D U P B -2
C25' C 0.6689(5) 0.5808(3) 0.7878(3) 0.089(3) Uani 0.25 1 d D U P B -2
C26' C 0.6419(5) 0.5485(3) 0.8061(3) 0.088(3) Uani 0.25 1 d D U P B -2
C27' C 0.6063(5) 0.5542(3) 0.8367(4) 0.089(3) Uani 0.25 1 d D U P B -2
C28' C 0.5525(4) 0.5339(3) 0.8362(4) 0.086(3) Uani 0.25 1 d D U P B -2
C29' C 0.5067(4) 0.5557(3) 0.8506(4) 0.088(3) Uani 0.25 1 d D U P B -2
C30' C 0.4498(5) 0.5511(3) 0.8348(4) 0.084(3) Uani 0.25 1 d D U P B -2
C31' C 0.4154(5) 0.5801(2) 0.8351(4) 0.081(3) Uani 0.25 1 d D U P B -2
C32' C 0.3704(5) 0.5836(2) 0.8049(3) 0.073(3) Uani 0.25 1 d D U P B -2
C33' C 0.3613(5) 0.6195(2) 0.7936(3) 0.073(3) Uani 0.25 1 d D U P B -2
C34' C 0.3454(6) 0.6293(3) 0.7553(3) 0.076(3) Uani 0.25 1 d D U P B -2
C35' C 0.3707(5) 0.6604(3) 0.7362(3) 0.064(3) Uani 0.25 1 d D U P B -2
C36' C 0.3733(5) 0.6525(3) 0.6937(3) 0.069(3) Uani 0.25 1 d D U P B -2
C37' C 0.4205(4) 0.6644(3) 0.6731(3) 0.059(3) Uani 0.25 1 d D U P B -2
C38' C 0.4459(4) 0.6410(2) 0.6456(3) 0.050(3) Uani 0.25 1 d D U P B -2
C39' C 0.5069(4) 0.6474(3) 0.6491(3) 0.055(3) Uani 0.25 1 d D U P B -2
C40' C 0.5456(4) 0.6189(2) 0.6437(4) 0.064(3) Uani 0.25 1 d D U P B -2
C41' C 0.5965(5) 0.6226(3) 0.6661(4) 0.083(3) Uani 0.25 1 d D U P B -2
C42' C 0.6277(5) 0.5916(2) 0.6779(4) 0.087(3) Uani 0.25 1 d D U P B -2
C43' C 0.6040(5) 0.5601(3) 0.6694(4) 0.091(3) Uani 0.25 1 d D U P B -2
C44' C 0.6139(5) 0.5307(3) 0.6994(3) 0.095(3) Uani 0.25 1 d D U P B -2
C45' C 0.6481(5) 0.5399(3) 0.7345(3) 0.095(3) Uani 0.25 1 d D U P B -2
C46' C 0.6270(5) 0.5229(3) 0.7765(3) 0.094(3) Uani 0.25 1 d D U P B -2
C47' C 0.5812(4) 0.5037(3) 0.7706(3) 0.091(3) Uani 0.25 1 d D U P B -2
C48' C 0.5391(4) 0.5104(3) 0.8061(3) 0.084(3) Uani 0.25 1 d D U P B -2
C49' C 0.4859(4) 0.5054(4) 0.7870(3) 0.072(3) Uani 0.25 1 d D U P B -2
C50' C 0.4385(5) 0.5242(3) 0.8033(3) 0.076(3) Uani 0.25 1 d D U P B -2
C51' C 0.3936(5) 0.5295(3) 0.7702(3) 0.064(3) Uani 0.25 1 d D U P B -2
C52' C 0.3605(5) 0.5582(3) 0.7745(3) 0.065(3) Uani 0.25 1 d D U P B -2
C53' C 0.3400(5) 0.5708(2) 0.7339(3) 0.070(3) Uani 0.25 1 d D U P B -2
C54' C 0.3333(6) 0.6052(2) 0.7238(3) 0.071(3) Uani 0.25 1 d D U P B -2
C55' C 0.3495(5) 0.6195(2) 0.6847(3) 0.069(3) Uani 0.25 1 d D U P B -2
C56' C 0.3731(5) 0.5973(2) 0.6596(3) 0.064(3) Uani 0.25 1 d D U P B -2
C57' C 0.4252(4) 0.6083(2) 0.6371(4) 0.063(3) Uani 0.25 1 d D U P B -2
C58' C 0.4602(4) 0.5789(2) 0.6330(4) 0.066(3) Uani 0.25 1 d D U P B -2
C59' C 0.4326(4) 0.5481(2) 0.6516(3) 0.061(3) Uani 0.25 1 d D U P B -2
C60' C 0.4668(4) 0.5230(3) 0.6724(3) 0.069(3) Uani 0.25 1 d D U P B -2
C61' C 0.5234(4) 0.5240(3) 0.6690(4) 0.072(3) Uani 0.25 1 d D U P B -2
C62' C 0.5656(4) 0.5096(3) 0.6998(3) 0.089(3) Uani 0.25 1 d D U P B -2
C63' C 0.5483(4) 0.4977(4) 0.7361(3) 0.090(3) Uani 0.25 1 d D U P B -2
C64' C 0.4901(4) 0.4985(4) 0.7416(3) 0.079(3) Uani 0.25 1 d D U P B -2
C65' C 0.4460(4) 0.5080(3) 0.7136(3) 0.063(3) Uani 0.25 1 d D U P B -2
C66' C 0.3964(5) 0.5216(3) 0.7291(3) 0.060(3) Uani 0.25 1 d D U P B -2
C67' C 0.3636(5) 0.5477(3) 0.7054(3) 0.064(3) Uani 0.25 1 d D U P B -2
C68' C 0.3805(5) 0.5606(3) 0.6696(3) 0.064(3) Uani 0.25 1 d D U P B -2
C69' C 0.5194(4) 0.5831(2) 0.6361(4) 0.058(3) Uani 0.25 1 d D U P B -2
C70' C 0.5514(4) 0.5555(3) 0.6499(4) 0.076(3) Uani 0.25 1 d D U P B -2
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'
Zn Zn 0.2839 1.4301 '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
N1 C1 C19 125.3(3) . 2_656
N1 C1 C2 109.4(4) . .
C19 C1 C2 125.2(4) 2_656 .
C3 C2 C1 106.9(3) . .
C2 C3 C4 107.0(4) . .
N1 C4 C5 126.4(3) . .
N1 C4 C3 109.7(3) . .
C5 C4 C3 123.9(4) . .
C4 C5 C15 124.1(4) . .
C4 C5 C6 117.3(3) . .
C15 C5 C6 118.6(4) . .
C7 C6 C11 119.9(4) . .
C7 C6 C5 118.4(4) . .
C11 C6 C5 121.6(4) . .
C6 C7 C8 119.0(4) . .
C6 C7 C12 122.1(4) . .
C8 C7 C12 119.0(4) . .
C9 C8 C7 121.3(4) . .
C10 C9 C8 119.0(4) . .
C10 C9 C13 120.8(5) . .
C8 C9 C13 120.2(5) . .
C9 C10 C11 121.0(4) . .
C10 C11 C6 119.8(4) . .
C10 C11 C14 119.9(4) . .
C6 C11 C14 120.3(4) . .
N2 C15 C5 125.6(4) . .
N2 C15 C16 109.7(3) . .
C5 C15 C16 124.6(4) . .
C17 C16 C15 107.0(4) . .
C16 C17 C18 107.0(4) . .
N2 C18 C19 125.5(4) . .
N2 C18 C17 109.3(3) . .
C19 C18 C17 125.2(4) . .
C18 C19 C1 125.4(3) . 2_656
C18 C19 C20 117.3(4) . .
C1 C19 C20 117.3(3) 2_656 .
C21 C20 C25 119.5(4) . .
C21 C20 C19 120.4(3) . .
C25 C20 C19 120.1(3) . .
C22 C21 C20 120.3(4) . .
C21 C22 C23 120.7(4) . .
C22 C23 C24 119.4(4) . .
O1 C24 C25 124.7(4) . .
O1 C24 C23 114.9(4) . .
C25 C24 C23 120.4(4) . .
C24 C25 C20 119.8(4) . .
O1 C26 C27 107.3(3) . .
C26 C27 C28 112.1(4) . .
C27 C28 C29 112.1(4) . .
C30 C29 C28 113.2(4) . .
C31 C30 C29 115.9(4) . .
O2 C31 C30 107.6(4) . .
N4 C32 C47 125.7(4) . 2_656
N4 C32 C33 109.6(4) . .
C47 C32 C33 124.6(4) 2_656 .
C34 C33 C32 106.9(4) . .
C33 C34 C35 107.1(4) . .
N4 C35 C36 125.5(4) . .
N4 C35 C34 109.3(4) . .
C36 C35 C34 125.0(4) . .
C43 C36 C35 124.4(4) . .
C43 C36 C37 117.2(4) . .
C35 C36 C37 118.4(4) . .
C42 C37 C38 119.0(4) . .
C42 C37 C36 119.2(4) . .
C38 C37 C36 121.8(4) . .
C39 C38 C37 120.3(4) . .
C38 C39 C40 120.3(5) . .
C41 C40 C39 119.6(4) . .
O2 C41 C40 115.7(4) . .
O2 C41 C42 123.6(4) . .
C40 C41 C42 120.7(4) . .
C41 C42 C37 120.1(4) . .
N3 C43 C36 124.9(4) . .
N3 C43 C44 109.6(4) . .
C36 C43 C44 125.4(4) . .
C45 C44 C43 106.7(4) . .
C44 C45 C46 106.9(4) . .
N3 C46 C47 125.8(4) . .
N3 C46 C45 110.0(4) . .
C47 C46 C45 124.2(4) . .
C46 C47 C32 125.6(4) . 2_656
C46 C47 C48 117.1(4) . .
C32 C47 C48 117.3(4) 2_656 .
C53 C48 C49 119.8(4) . .
C53 C48 C47 121.8(4) . .
C49 C48 C47 118.3(4) . .
C50 C49 C48 119.0(4) . .
C50 C49 C54 119.9(4) . .
C48 C49 C54 121.1(4) . .
C49 C50 C51 121.9(4) . .
C52 C51 C50 118.5(4) . .
C52 C51 C55 121.3(4) . .
C50 C51 C55 120.2(4) . .
C51 C52 C53 121.0(4) . .
C52 C53 C48 119.7(4) . .
C52 C53 C56 120.5(4) . .
C48 C53 C56 119.8(4) . .
N5 C57 C58 122.8(4) . .
C59 C58 C57 118.1(4) . .
C58 C59 C58 119.9(5) 2_656 .
C58 C59 N6 120.0(2) 2_656 .
C58 C59 N6 120.0(2) . .
O3 C60 N6 120.7(4) . .
O3 C60 C61 123.3(4) . .
N6 C60 C61 116.0(4) . .
C62 C61 C63 120.5(4) . .
C62 C61 C60 118.4(4) . .
C63 C61 C60 121.0(4) . .
C61 C62 C66 120.1(4) . 2_656
C64 C63 C61 119.8(2) . .
C64 C63 C61 119.8(2) . 2_656
C61 C63 C61 120.3(5) . 2_656
C63 C64 C65 119.4(2) . .
C63 C64 C65 119.4(2) . 2_656
C65 C64 C65 121.1(5) . 2_656
C66 C65 C64 117.8(3) . .
C66 C65 C77 124.6(3) . .
C64 C65 C77 117.6(3) . .
O4 C66 C65 119.3(3) . .
O4 C66 C62 119.2(3) . 2_656
C65 C66 C62 121.0(4) . 2_656
C68 C67 O4 123.7(4) . .
C68 C67 C72 119.9(4) . .
O4 C67 C72 116.3(4) . .
C67 C68 C69 119.4(4) . .
C68 C69 C70 122.5(4) . .
C69 C70 C71 116.0(4) . .
C69 C70 C73 122.7(4) . .
C71 C70 C73 121.2(4) . .
C72 C71 C70 122.8(4) . .
C71 C72 C67 119.3(4) . .
C70 C73 C75 110.8(4) . .
C70 C73 C76 108.5(4) . .
C75 C73 C76 109.4(4) . .
C70 C73 C74 112.1(4) . .
C75 C73 C74 107.9(4) . .
C76 C73 C74 108.1(4) . .
C78 C77 C82 117.5(3) . .
C78 C77 C65 125.3(4) . .
C82 C77 C65 117.2(4) . .
O5 C78 C77 120.0(3) . .
O5 C78 C79 119.0(4) . .
C77 C78 C79 120.9(4) . .
C80 C79 C78 120.9(4) . .
C79 C80 C81 120.2(4) . .
C79 C80 C93 119.6(4) . .
C81 C80 C93 120.2(4) . .
C80 C81 C80 120.9(5) . 2_656
C80 C81 C82 119.5(2) . .
C80 C81 C82 119.5(2) 2_656 .
C81 C82 C77 119.3(2) . .
C81 C82 C77 119.3(2) . 2_656
C77 C82 C77 121.5(5) . 2_656
C84 C83 C88 121.2(4) . .
C84 C83 O5 117.7(4) . .
C88 C83 O5 121.0(4) . .
C83 C84 C85 119.4(4) . .
C86 C85 C84 121.6(4) . .
C85 C86 C87 117.9(4) . .
C85 C86 C89 122.5(4) . .
C87 C86 C89 119.6(4) . .
C88 C87 C86 121.3(4) . .
C87 C88 C83 118.5(4) . .
C91 C89 C92 108.2(4) . .
C91 C89 C86 112.2(4) . .
C92 C89 C86 108.7(4) . .
C91 C89 C90 109.6(4) . .
C92 C89 C90 109.2(4) . .
C86 C89 C90 108.8(4) . .
O6 C93 N8 120.6(4) . .
O6 C93 C80 123.3(4) . .
N8 C93 C80 116.1(4) . .
C93 N8 C93 126.1(5) . 2_656
C93 N8 C94 116.9(2) . .
C93 N8 C94 116.9(2) 2_656 .
C95 C94 C95 120.5(5) . 2_656
C95 C94 N8 119.8(2) . .
C95 C94 N8 119.7(2) 2_656 .
C97 C95 C94 117.4(4) 1_545 .
N7 C97 C95 123.4(4) . 1_565
C2S C1S C6S 115.9(7) . .
C2S C1S C7S 123.7(10) . .
C6S C1S C7S 120.3(10) . .
C3S C2S C1S 122.4(7) . .
C4S C3S C2S 121.3(7) . .
C5S C4S C3S 118.6(8) . .
C5S C4S C8S 120.6(11) . .
C3S C4S C8S 120.8(12) . .
C4S C5S C6S 121.2(8) . .
C5S C6S C1S 120.5(8) . .
C6T C1T C2T 117.7(5) . .
C6T C1T C7T 121.3(6) . .
C2T C1T C7T 120.9(5) . .
C3T C2T C1T 120.8(5) . .
C2T C3T C4T 122.0(5) . .
C3T C4T C5T 116.8(5) . .
C3T C4T C8T 122.0(5) . .
C5T C4T C8T 121.2(5) . .
C6T C5T C4T 121.6(5) . .
C5T C6T C1T 121.1(5) . .
C2U C1U C6U 117.0(6) . .
C2U C1U C7U 121.7(6) . .
C6U C1U C7U 121.3(6) . .
C3U C2U C1U 122.0(5) . .
C4U C3U C2U 121.0(5) . .
C3U C4U C5U 118.2(5) . .
C3U C4U C8U 120.8(5) . .
C5U C4U C8U 121.0(5) . .
C4U C5U C6U 120.5(5) . .
C1U C6U C5U 121.2(5) . .
C6V C1V C2V 117.1(6) . .
C6V C1V C7V 121.6(6) . .
C2V C1V C7V 121.3(6) . .
C3V C2V C1V 121.2(6) . .
C2V C3V C4V 121.1(5) . .
C5V C4V C3V 117.3(6) . .
C5V C4V C8V 121.0(6) . .
C3V C4V C8V 121.7(6) . .
C6V C5V C4V 121.8(6) . .
C5V C6V C1V 121.4(5) . .
C2W C1W C6W 117.1(6) . .
C2W C1W C7W 121.6(6) . .
C6W C1W C7W 121.3(7) . .
C3W C2W C1W 121.1(5) . .
C4W C3W C2W 121.6(6) . .
C3W C4W C5W 118.1(6) . .
C3W C4W C8W 121.8(7) . .
C5W C4W C8W 120.1(6) . .
C4W C5W C6W 121.1(5) . .
C5W C6W C1W 121.0(6) . .
C2X C1X C6X 116.8(6) . .
C2X C1X C7X 121.4(6) . .
C6X C1X C7X 121.8(6) . .
C1X C2X C3X 122.2(6) . .
C4X C3X C2X 120.6(6) . .
C3X C4X C5X 117.5(6) . .
C3X C4X C8X 120.7(7) . .
C5X C4X C8X 121.8(7) . .
C6X C5X C4X 121.6(6) . .
C5X C6X C1X 121.2(6) . .
C2Y C1Y C6Y 116.4(9) . .
C2Y C1Y C8Y 121.2(10) . .
C6Y C1Y C8Y 122.4(8) . .
C3Y C2Y C1Y 121.8(8) . .
C2Y C3Y C4Y 122.4(7) . .
C3Y C4Y C5Y 115.8(8) . .
C3Y C4Y C7Y 121.9(7) . .
C5Y C4Y C7Y 122.1(8) . .
C6Y C5Y C4Y 123.2(9) . .
C5Y C6Y C1Y 120.3(7) . .
C6Z C1Z C2Z 117.5(5) . .
C6Z C1Z C7Z 121.3(6) . .
C2Z C1Z C7Z 121.2(6) . .
C3Z C2Z C1Z 121.2(5) . .
C2Z C3Z C4Z 121.1(5) . .
C3Z C4Z C5Z 117.7(5) . .
C3Z C4Z C8Z 119.9(5) . .
C5Z C4Z C8Z 122.2(5) . .
C6Z C5Z C4Z 120.8(5) . .
C5Z C6Z C1Z 121.6(5) . .
C4 N1 C1 107.0(3) . .
C4 N1 Zn1 125.0(3) . .
C1 N1 Zn1 127.4(3) . .
C15 N2 C18 106.9(3) . .
C15 N2 Zn1 125.5(3) . .
C18 N2 Zn1 127.3(3) . .
C43 N3 C46 106.7(4) . .
C43 N3 Zn2 128.8(3) . .
C46 N3 Zn2 124.1(3) . .
C35 N4 C32 107.1(3) . .
C35 N4 Zn2 128.2(3) . .
C32 N4 Zn2 123.3(3) . .
C57 N5 C57 118.1(4) 2_656 .
C57 N5 Zn1 120.9(2) 2_656 .
C57 N5 Zn1 120.9(2) . .
C60 N6 C60 125.6(4) . 2_656
C60 N6 C59 117.2(2) . .
C60 N6 C59 117.2(2) 2_656 .
C97 N7 C97 118.1(5) . 2_656
C97 N7 Zn2 121.0(2) . .
C97 N7 Zn2 121.0(2) 2_656 .
C24 O1 C26 117.9(3) . .
C41 O2 C31 116.8(4) . .
C66 O4 C67 118.8(3) . .
C78 O5 C83 117.2(3) . .
N1 Zn1 N1 161.63(17) 2_656 .
N1 Zn1 N2 88.77(13) 2_656 .
N1 Zn1 N2 88.51(13) . .
N1 Zn1 N2 88.51(13) 2_656 2_656
N1 Zn1 N2 88.77(13) . 2_656
N2 Zn1 N2 162.91(17) . 2_656
N1 Zn1 N5 99.18(9) 2_656 .
N1 Zn1 N5 99.18(9) . .
N2 Zn1 N5 98.55(9) . .
N2 Zn1 N5 98.55(9) 2_656 .
N3 Zn2 N3 165.48(18) . 2_656
N3 Zn2 N4 90.22(14) . 2_656
N3 Zn2 N4 87.75(14) 2_656 2_656
N3 Zn2 N4 87.75(14) . .
N3 Zn2 N4 90.22(14) 2_656 .
N4 Zn2 N4 163.89(17) 2_656 .
N3 Zn2 N7 97.26(9) . .
N3 Zn2 N7 97.26(9) 2_656 .
N4 Zn2 N7 98.05(9) 2_656 .
N4 Zn2 N7 98.06(9) . .
C2D C1D C6D 123.2 . .
C2D C1D C9D 121.0 . .
C6D C1D C9D 108.6 . .
C3D C2D C1D 116.7 . .
C3D C2D C12D 116.6 . .
C1D C2D C12D 115.4 . .
C15D C3D C2D 121.0 . .
C15D C3D C4D 112.3 . .
C2D C3D C4D 118.5 . .
C17D C4D C5D 123.9 . .
C17D C4D C3D 107.1 . .
C5D C4D C3D 123.9 . .
C4D C5D C6D 116.7 . .
C4D C5D C20D 113.1 . .
C6D C5D C20D 118.9 . .
C5D C6D C1D 120.1 . .
C5D C6D C7D 120.7 . .
C1D C6D C7D 107.8 . .
C22D C7D C8D 117.3 . .
C22D C7D C6D 122.7 . .
C8D C7D C6D 109.4 . .
C25D C8D C7D 125.5 . .
C25D C8D C9D 115.5 . .
C7D C8D C9D 108.1 . .
C10D C9D C8D 122.4 . .
C10D C9D C1D 119.3 . .
C8D C9D C1D 106.1 . .
C9D C10D C11D 124.7 . .
C9D C10D C27D 119.4 . .
C11D C10D C27D 106.1 . .
C29D C11D C12D 122.7 . .
C29D C11D C10D 112.1 . .
C12D C11D C10D 116.2 . .
C11D C12D C13D 110.4 . .
C11D C12D C2D 122.6 . .
C13D C12D C2D 121.0 . .
C31D C13D C14D 112.0 . .
C31D C13D C12D 124.6 . .
C14D C13D C12D 113.8 . .
C15D C14D C13D 122.2 . .
C15D C14D C33D 122.2 . .
C13D C14D C33D 103.4 . .
C3D C15D C14D 124.6 . .
C3D C15D C16D 107.7 . .
C14D C15D C16D 115.2 . .
C35D C16D C15D 123.2 . .
C35D C16D C17D 122.0 . .
C15D C16D C17D 103.4 . .
C18D C17D C4D 121.0 . .
C18D C17D C16D 114.6 . .
C4D C17D C16D 109.4 . .
C17D C18D C37D 124.3 . .
C17D C18D C19D 119.1 . .
C37D C18D C19D 108.2 . .
C20D C19D C39D 122.8 . .
C20D C19D C18D 120.9 . .
C39D C19D C18D 105.2 . .
C19D C20D C21D 119.6 . .
C19D C20D C5D 120.6 . .
C21D C20D C5D 115.4 . .
C20D C21D C41D 118.0 . .
C20D C21D C22D 123.1 . .
C41D C21D C22D 106.4 . .
C7D C22D C23D 121.5 . .
C7D C22D C21D 118.9 . .
C23D C22D C21D 106.2 . .
C24D C23D C42D 120.3 . .
C24D C23D C22D 120.8 . .
C42D C23D C22D 107.9 . .
C45D C24D C23D 115.8 . .
C45D C24D C25D 111.8 . .
C23D C24D C25D 117.2 . .
C8D C25D C24D 117.5 . .
C8D C25D C26D 124.9 . .
C24D C25D C26D 104.4 . .
C27D C26D C46D 118.2 . .
C27D C26D C25D 116.6 . .
C46D C26D C25D 112.6 . .
C26D C27D C28D 119.0 . .
C26D C27D C10D 120.8 . .
C28D C27D C10D 104.3 . .
C48D C28D C29D 117.5 . .
C48D C28D C27D 120.9 . .
C29D C28D C27D 111.3 . .
C11D C29D C30D 121.0 . .
C11D C29D C28D 106.0 . .
C30D C29D C28D 123.0 . .
C31D C30D C29D 117.6 . .
C31D C30D C50D 120.5 . .
C29D C30D C50D 116.2 . .
C30D C31D C13D 121.0 . .
C30D C31D C32D 120.2 . .
C13D C31D C32D 106.7 . .
C52D C32D C33D 118.5 . .
C52D C32D C31D 119.2 . .
C33D C32D C31D 112.0 . .
C34D C33D C32D 122.3 . .
C34D C33D C14D 117.5 . .
C32D C33D C14D 105.9 . .
C33D C34D C54D 121.4 . .
C33D C34D C35D 122.1 . .
C54D C34D C35D 105.8 . .
C16D C35D C36D 121.3 . .
C16D C35D C34D 119.7 . .
C36D C35D C34D 107.0 . .
C55D C36D C37D 120.6 . .
C55D C36D C35D 110.5 . .
C37D C36D C35D 119.7 . .
C36D C37D C38D 117.6 . .
C36D C37D C18D 117.9 . .
C38D C37D C18D 107.9 . .
C57D C38D C37D 123.6 . .
C57D C38D C39D 118.5 . .
C37D C38D C39D 108.5 . .
C19D C39D C40D 119.0 . .
C19D C39D C38D 110.0 . .
C40D C39D C38D 122.1 . .
C41D C40D C39D 116.0 . .
C41D C40D C69D 120.5 . .
C39D C40D C69D 116.3 . .
C40D C41D C21D 121.9 . .
C40D C41D C42D 118.5 . .
C21D C41D C42D 110.4 . .
C43D C42D C41D 119.4 . .
C43D C42D C23D 122.3 . .
C41D C42D C23D 109.1 . .
C42D C43D C70D 123.1 . .
C42D C43D C44D 119.9 . .
C70D C43D C44D 107.7 . .
C62D C44D C45D 123.2 . .
C62D C44D C43D 110.0 . .
C45D C44D C43D 113.8 . .
C24D C45D C44D 127.8 . .
C24D C45D C46D 107.8 . .
C44D C45D C46D 113.4 . .
C47D C46D C26D 130.7 . .
C47D C46D C45D 114.3 . .
C26D C46D C45D 103.2 . .
C46D C47D C63D 129.1 . .
C46D C47D C48D 111.0 . .
C63D C47D C48D 105.9 . .
C28D C48D C49D 124.5 . .
C28D C48D C47D 120.1 . .
C49D C48D C47D 105.3 . .
C48D C49D C50D 118.7 . .
C48D C49D C64D 109.1 . .
C50D C49D C64D 123.0 . .
C49D C50D C30D 119.5 . .
C49D C50D C51D 110.9 . .
C30D C50D C51D 118.1 . .
C52D C51D C66D 109.7 . .
C52D C51D C50D 116.6 . .
C66D C51D C50D 125.7 . .
C51D C52D C32D 124.8 . .
C51D C52D C53D 109.8 . .
C32D C52D C53D 116.4 . .
C54D C53D C67D 119.6 . .
C54D C53D C52D 123.2 . .
C67D C53D C52D 104.7 . .
C53D C54D C34D 117.9 . .
C53D C54D C55D 121.9 . .
C34D C54D C55D 110.8 . .
C56D C55D C36D 121.0 . .
C56D C55D C54D 116.0 . .
C36D C55D C54D 105.8 . .
C55D C56D C68D 123.1 . .
C55D C56D C57D 120.9 . .
C68D C56D C57D 105.9 . .
C38D C57D C58D 122.7 . .
C38D C57D C56D 115.8 . .
C58D C57D C56D 109.6 . .
C57D C58D C69D 122.0 . .
C57D C58D C59D 107.7 . .
C69D C58D C59D 121.1 . .
C60D C59D C68D 121.8 . .
C60D C59D C58D 118.2 . .
C68D C59D C58D 108.1 . .
C61D C60D C59D 120.2 . .
C61D C60D C65D 118.9 . .
C59D C60D C65D 115.9 . .
C60D C61D C62D 122.9 . .
C60D C61D C70D 119.8 . .
C62D C61D C70D 106.0 . .
C63D C62D C44D 121.2 . .
C63D C62D C61D 119.0 . .
C44D C62D C61D 107.3 . .
C62D C63D C47D 118.4 . .
C62D C63D C64D 118.6 . .
C47D C63D C64D 113.5 . .
C63D C64D C65D 127.9 . .
C63D C64D C49D 106.0 . .
C65D C64D C49D 118.0 . .
C66D C65D C64D 120.4 . .
C66D C65D C60D 119.1 . .
C64D C65D C60D 112.5 . .
C51D C66D C65D 120.8 . .
C51D C66D C67D 107.8 . .
C65D C66D C67D 121.1 . .
C68D C67D C53D 119.8 . .
C68D C67D C66D 119.9 . .
C53D C67D C66D 108.0 . .
C67D C68D C56D 119.4 . .
C67D C68D C59D 122.1 . .
C56D C68D C59D 108.6 . .
C70D C69D C58D 118.6 . .
C70D C69D C40D 116.1 . .
C58D C69D C40D 118.3 . .
C69D C70D C43D 122.2 . .
C69D C70D C61D 119.6 . .
C43D C70D C61D 108.8 . .
C2D' C1D' C6D' 122.9(6) . .
C2D' C1D' C9D' 119.5(6) . .
C6D' C1D' C9D' 109.3(4) . .
C3D' C2D' C1D' 115.2(6) . .
C3D' C2D' C12' 117.1(6) . .
C1D' C2D' C12' 116.2(6) . .
C15' C3D' C2D' 119.9(6) . .
C15' C3D' C4D' 110.9(5) . .
C2D' C3D' C4D' 120.2(6) . .
C17' C4D' C5D' 121.8(6) . .
C17' C4D' C3D' 108.5(5) . .
C5D' C4D' C3D' 123.9(6) . .
C4D' C5D' C6D' 115.3(6) . .
C4D' C5D' C20' 112.0(6) . .
C6D' C5D' C20' 121.4(6) . .
C5D' C6D' C1D' 121.7(6) . .
C5D' C6D' C7D' 118.8(6) . .
C1D' C6D' C7D' 107.4(5) . .
C22' C7D' C8D' 118.7(6) . .
C22' C7D' C6D' 121.7(6) . .
C8D' C7D' C6D' 109.1(5) . .
C25' C8D' C7D' 124.3(6) . .
C25' C8D' C9D' 114.9(6) . .
C7D' C8D' C9D' 109.2(5) . .
C10' C9D' C8D' 122.6(6) . .
C10' C9D' C1D' 120.3(6) . .
C8D' C9D' C1D' 104.8(4) . .
C9D' C10' C11' 125.1(7) . .
C9D' C10' C27' 119.4(6) . .
C11' C10' C27' 105.2(4) . .
C29' C11' C12' 122.4(7) . .
C29' C11' C10' 112.5(5) . .
C12' C11' C10' 114.9(6) . .
C11' C12' C13' 109.4(5) . .
C11' C12' C2D' 123.6(6) . .
C13' C12' C2D' 121.6(6) . .
C31' C13' C14' 110.7(5) . .
C31' C13' C12' 125.4(7) . .
C14' C13' C12' 112.1(5) . .
C15' C14' C13' 123.7(6) . .
C15' C14' C33' 121.1(6) . .
C13' C14' C33' 104.1(4) . .
C3D' C15' C14' 124.9(7) . .
C3D' C15' C16' 108.1(5) . .
C14' C15' C16' 114.4(6) . .
C35' C16' C17' 121.1(6) . .
C35' C16' C15' 125.3(6) . .
C17' C16' C15' 103.7(4) . .
C18' C17' C4D' 124.3(7) . .
C18' C17' C16' 113.8(6) . .
C4D' C17' C16' 108.7(5) . .
C17' C18' C37' 125.7(6) . .
C17' C18' C19' 118.7(6) . .
C37' C18' C19' 108.2(4) . .
C20' C19' C39' 125.9(7) . .
C20' C19' C18' 117.6(6) . .
C39' C19' C18' 104.4(5) . .
C19' C20' C21' 117.1(6) . .
C19' C20' C5D' 124.5(6) . .
C21' C20' C5D' 114.4(5) . .
C20' C21' C41' 117.4(7) . .
C20' C21' C22' 122.1(6) . .
C41' C21' C22' 107.7(5) . .
C7D' C22' C23' 121.1(6) . .
C7D' C22' C21' 121.3(6) . .
C23' C22' C21' 105.3(4) . .
C24' C23' C42' 120.8(6) . .
C24' C23' C22' 119.8(6) . .
C42' C23' C22' 108.1(5) . .
C45' C24' C23' 114.3(6) . .
C45' C24' C25' 112.4(5) . .
C23' C24' C25' 118.8(6) . .
C8D' C25' C24' 117.1(6) . .
C8D' C25' C26' 125.4(7) . .
C24' C25' C26' 104.2(4) . .
C27' C26' C46' 118.5(6) . .
C27' C26' C25' 117.0(6) . .
C46' C26' C25' 112.2(5) . .
C26' C27' C28' 118.0(6) . .
C26' C27' C10' 120.3(6) . .
C28' C27' C10' 105.4(5) . .
C48' C28' C29' 117.0(6) . .
C48' C28' C27' 121.2(6) . .
C29' C28' C27' 110.7(5) . .
C30' C29' C11' 121.9(7) . .
C30' C29' C28' 121.0(6) . .
C11' C29' C28' 105.9(5) . .
C31' C30' C29' 116.7(6) . .
C31' C30' C50' 118.3(6) . .
C29' C30' C50' 118.5(6) . .
C30' C31' C13' 121.1(7) . .
C30' C31' C32' 119.6(6) . .
C13' C31' C32' 107.6(5) . .
C52' C32' C33' 116.9(6) . .
C52' C32' C31' 121.8(6) . .
C33' C32' C31' 111.8(5) . .
C34' C33' C32' 122.6(6) . .
C34' C33' C14' 119.7(6) . .
C32' C33' C14' 105.7(5) . .
C33' C34' C54' 123.1(6) . .
C33' C34' C35' 121.1(6) . .
C54' C34' C35' 106.3(5) . .
C16' C35' C36' 123.3(6) . .
C16' C35' C34' 118.3(6) . .
C36' C35' C34' 106.5(5) . .
C55' C36' C37' 120.5(6) . .
C55' C36' C35' 111.0(5) . .
C37' C36' C35' 118.4(6) . .
C36' C37' C38' 118.3(6) . .
C36' C37' C18' 117.6(6) . .
C38' C37' C18' 108.7(5) . .
C57' C38' C37' 122.8(6) . .
C57' C38' C39' 120.9(6) . .
C37' C38' C39' 107.0(4) . .
C19' C39' C40' 118.1(6) . .
C19' C39' C38' 111.3(5) . .
C40' C39' C38' 120.1(6) . .
C41' C40' C39' 113.8(5) . .
C41' C40' C69' 121.1(6) . .
C39' C40' C69' 115.9(6) . .
C40' C41' C21' 125.0(6) . .
C40' C41' C42' 118.9(6) . .
C21' C41' C42' 109.1(5) . .
C43' C42' C41' 118.0(6) . .
C43' C42' C23' 123.4(6) . .
C41' C42' C23' 109.7(5) . .
C42' C43' C70' 124.5(7) . .
C42' C43' C44' 118.3(6) . .
C70' C43' C44' 108.6(5) . .
C62' C44' C45' 124.7(6) . .
C62' C44' C43' 109.2(5) . .
C45' C44' C43' 114.5(6) . .
C24' C45' C44' 128.7(7) . .
C24' C45' C46' 107.3(5) . .
C44' C45' C46' 114.0(6) . .
C47' C46' C26' 131.6(7) . .
C47' C46' C45' 112.3(6) . .
C26' C46' C45' 103.7(4) . .
C46' C47' C63' 130.6(7) . .
C46' C47' C48' 110.1(6) . .
C63' C47' C48' 106.5(5) . .
C28' C48' C49' 126.3(7) . .
C28' C48' C47' 120.5(6) . .
C49' C48' C47' 103.4(4) . .
C48' C49' C50' 117.7(6) . .
C48' C49' C64' 111.4(5) . .
C50' C49' C64' 122.3(6) . .
C49' C50' C30' 118.9(6) . .
C49' C50' C51' 109.4(5) . .
C30' C50' C51' 121.3(6) . .
C52' C51' C66' 109.2(5) . .
C52' C51' C50' 115.2(6) . .
C66' C51' C50' 127.8(6) . .
C51' C52' C32' 123.4(7) . .
C51' C52' C53' 109.4(5) . .
C32' C52' C53' 117.4(6) . .
C54' C53' C67' 118.7(6) . .
C54' C53' C52' 124.1(6) . .
C67' C53' C52' 106.0(5) . .
C53' C54' C34' 115.6(6) . .
C53' C54' C55' 122.7(6) . .
C34' C54' C55' 110.6(5) . .
C56' C55' C36' 121.5(7) . .
C56' C55' C54' 116.6(6) . .
C36' C55' C54' 105.4(5) . .
C55' C56' C68' 121.5(6) . .
C55' C56' C57' 120.3(6) . .
C68' C56' C57' 106.3(5) . .
C38' C57' C58' 122.5(6) . .
C38' C57' C56' 116.3(6) . .
C58' C57' C56' 109.1(5) . .
C57' C58' C69' 119.6(6) . .
C57' C58' C59' 108.1(5) . .
C69' C58' C59' 121.0(6) . .
C60' C59' C68' 119.8(6) . .
C60' C59' C58' 118.5(6) . .
C68' C59' C58' 107.8(5) . .
C61' C60' C59' 119.6(6) . .
C61' C60' C65' 115.7(6) . .
C59' C60' C65' 117.9(5) . .
C60' C61' C62' 124.7(6) . .
C60' C61' C70' 120.7(6) . .
C62' C61' C70' 106.1(4) . .
C63' C62' C44' 118.7(7) . .
C63' C62' C61' 119.9(6) . .
C44' C62' C61' 107.9(5) . .
C62' C63' C47' 119.5(6) . .
C62' C63' C64' 116.5(6) . .
C47' C63' C64' 114.5(5) . .
C63' C64' C65' 128.7(6) . .
C63' C64' C49' 104.0(4) . .
C65' C64' C49' 121.1(6) . .
C66' C65' C64' 117.7(6) . .
C66' C65' C60' 118.9(6) . .
C64' C65' C60' 113.9(6) . .
C51' C66' C65' 120.9(6) . .
C51' C66' C67' 109.0(5) . .
C65' C66' C67' 119.3(6) . .
C68' C67' C53' 119.7(6) . .
C68' C67' C66' 122.4(6) . .
C53' C67' C66' 106.5(5) . .
C67' C68' C56' 120.6(6) . .
C67' C68' C59' 121.5(6) . .
C56' C68' C59' 108.4(4) . .
C70' C69' C58' 118.3(5) . .
C70' C69' C40' 114.9(6) . .
C58' C69' C40' 121.0(6) . .
C69' C70' C43' 122.1(6) . .
C69' C70' C61' 119.8(6) . .
C43' C70' C61' 108.0(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.373(5) .
C1 C19 1.407(6) 2_656
C1 C2 1.449(5) .
C2 C3 1.354(6) .
C3 C4 1.449(5) .
C4 N1 1.362(5) .
C4 C5 1.402(6) .
C5 C15 1.403(5) .
C5 C6 1.496(6) .
C6 C7 1.400(6) .
C6 C11 1.400(6) .
C7 C8 1.402(6) .
C7 C12 1.504(6) .
C8 C9 1.391(7) .
C9 C10 1.385(8) .
C9 C13 1.511(7) .
C10 C11 1.394(7) .
C11 C14 1.510(6) .
C15 N2 1.367(5) .
C15 C16 1.438(6) .
C16 C17 1.355(6) .
C17 C18 1.444(6) .
C18 N2 1.370(5) .
C18 C19 1.403(5) .
C19 C1 1.407(6) 2_656
C19 C20 1.494(5) .
C20 C21 1.389(6) .
C20 C25 1.402(5) .
C21 C22 1.382(6) .
C22 C23 1.386(6) .
C23 C24 1.393(6) .
C24 O1 1.370(5) .
C24 C25 1.387(6) .
C26 O1 1.433(5) .
C26 C27 1.508(6) .
C27 C28 1.524(6) .
C28 C29 1.527(6) .
C29 C30 1.522(6) .
C30 C31 1.515(6) .
C31 O2 1.428(6) .
C32 N4 1.372(6) .
C32 C47 1.407(6) 2_656
C32 C33 1.435(6) .
C33 C34 1.356(7) .
C34 C35 1.445(6) .
C35 N4 1.360(5) .
C35 C36 1.412(7) .
C36 C43 1.411(6) .
C36 C37 1.490(6) .
C37 C42 1.396(5) .
C37 C38 1.404(6) .
C38 C39 1.387(7) .
C39 C40 1.390(7) .
C40 C41 1.384(7) .
C41 O2 1.367(5) .
C41 C42 1.391(6) .
C43 N3 1.366(5) .
C43 C44 1.448(7) .
C44 C45 1.358(6) .
C45 C46 1.439(6) .
C46 N3 1.369(5) .
C46 C47 1.400(6) .
C47 C32 1.407(6) 2_656
C47 C48 1.497(6) .
C48 C53 1.398(6) .
C48 C49 1.404(6) .
C49 C50 1.384(6) .
C49 C54 1.512(6) .
C50 C51 1.391(7) .
C51 C52 1.388(6) .
C51 C55 1.521(7) .
C52 C53 1.392(6) .
C53 C56 1.511(6) .
C57 N5 1.340(4) .
C57 C58 1.388(5) .
C58 C59 1.382(5) .
C59 C58 1.382(5) 2_656
C59 N6 1.437(6) .
C60 O3 1.210(5) .
C60 N6 1.407(5) .
C60 C61 1.475(5) .
C61 C62 1.365(6) .
C61 C63 1.407(5) .
C62 C66 1.405(5) 2_656
C63 C64 1.402(7) .
C63 C61 1.407(5) 2_656
C64 C65 1.432(5) .
C64 C65 1.432(5) 2_656
C65 C66 1.400(5) .
C65 C77 1.470(5) .
C66 O4 1.370(5) .
C66 C62 1.405(5) 2_656
C67 C68 1.379(6) .
C67 O4 1.395(5) .
C67 C72 1.400(5) .
C68 C69 1.389(7) .
C69 C70 1.394(6) .
C70 C71 1.403(6) .
C70 C73 1.515(7) .
C71 C72 1.371(7) .
C73 C75 1.531(6) .
C73 C76 1.537(7) .
C73 C74 1.538(7) .
C77 C78 1.398(6) .
C77 C82 1.434(5) .
C78 O5 1.355(5) .
C78 C79 1.407(5) .
C79 C80 1.353(6) .
C80 C81 1.410(5) .
C80 C93 1.476(5) .
C81 C80 1.410(5) 2_656
C81 C82 1.413(7) .
C82 C77 1.434(5) 2_656
C83 C84 1.356(6) .
C83 C88 1.397(6) .
C83 O5 1.406(5) .
C84 C85 1.395(6) .
C85 C86 1.377(6) .
C86 C87 1.398(7) .
C86 C89 1.538(6) .
C87 C88 1.388(6) .
C89 C91 1.525(8) .
C89 C92 1.536(7) .
C89 C90 1.549(7) .
C93 O6 1.211(6) .
C93 N8 1.397(5) .
N8 C93 1.397(5) 2_656
N8 C94 1.440(6) .
C94 C95 1.380(5) .
C94 C95 1.380(5) 2_656
C95 C97 1.376(5) 1_545
C97 N7 1.330(5) .
C97 C95 1.376(5) 1_565
C1S C2S 1.372(10) .
C1S C6S 1.408(14) .
C1S C7S 1.505(12) .
C2S C3S 1.360(9) .
C3S C4S 1.356(11) .
C4S C5S 1.353(15) .
C4S C8S 1.500(13) .
C5S C6S 1.382(16) .
C1T C6T 1.384(8) .
C1T C2T 1.389(8) .
C1T C7T 1.503(8) .
C2T C3T 1.378(9) .
C3T C4T 1.385(8) .
C4T C5T 1.390(7) .
C4T C8T 1.493(8) .
C5T C6T 1.381(8) .
C1U C2U 1.381(8) .
C1U C6U 1.383(8) .
C1U C7U 1.500(9) .
C2U C3U 1.380(9) .
C3U C4U 1.369(8) .
C4U C5U 1.382(8) .
C4U C8U 1.504(8) .
C5U C6U 1.399(9) .
C1V C6V 1.388(8) .
C1V C2V 1.401(9) .
C1V C7V 1.492(10) .
C2V C3V 1.379(11) .
C3V C4V 1.390(9) .
C4V C5V 1.388(8) .
C4V C8V 1.495(11) .
C5V C6V 1.369(9) .
C1W C2W 1.385(9) .
C1W C6W 1.393(8) .
C1W C7W 1.491(10) .
C2W C3W 1.382(10) .
C3W C4W 1.365(9) .
C4W C5W 1.379(9) .
C4W C8W 1.512(10) .
C5W C6W 1.383(9) .
C1X C2X 1.371(9) .
C1X C6X 1.407(8) .
C1X C7X 1.501(9) .
C2X C3X 1.390(9) .
C3X C4X 1.379(9) .
C4X C5X 1.396(9) .
C4X C8X 1.504(9) .
C5X C6X 1.361(9) .
C1Y C2Y 1.373(11) .
C1Y C6Y 1.441(14) .
C1Y C8Y 1.509(15) .
C2Y C3Y 1.372(11) .
C3Y C4Y 1.389(11) .
C4Y C5Y 1.394(11) .
C4Y C7Y 1.490(12) .
C5Y C6Y 1.348(14) .
C1Z C6Z 1.379(9) .
C1Z C2Z 1.386(8) .
C1Z C7Z 1.507(9) .
C2Z C3Z 1.373(9) .
C3Z C4Z 1.382(8) .
C4Z C5Z 1.391(8) .
C4Z C8Z 1.506(9) .
C5Z C6Z 1.371(9) .
N1 Zn1 2.058(3) .
N2 Zn1 2.064(4) .
N3 Zn2 2.055(4) .
N4 Zn2 2.059(3) .
N5 C57 1.340(4) 2_656
N5 Zn1 2.154(4) .
N6 C60 1.407(5) 2_656
N7 C97 1.330(5) 2_656
N7 Zn2 2.121(4) .
Zn1 N1 2.058(3) 2_656
Zn1 N2 2.064(4) 2_656
Zn2 N3 2.055(4) 2_656
Zn2 N4 2.059(3) 2_656
C1D C2D 1.4152 .
C1D C6D 1.4406 .
C1D C9D 1.5097 .
C2D C3D 1.4012 .
C2D C12D 1.5245 .
C3D C15D 1.3446 .
C3D C4D 1.4725 .
C4D C17D 1.3746 .
C4D C5D 1.3877 .
C5D C6D 1.3916 .
C5D C20D 1.5736 .
C6D C7D 1.4716 .
C7D C22D 1.3120 .
C7D C8D 1.4459 .
C8D C25D 1.3550 .
C8D C9D 1.4846 .
C9D C10D 1.3458 .
C10D C11D 1.4445 .
C10D C27D 1.5041 .
C11D C29D 1.4059 .
C11D C12D 1.4395 .
C12D C13D 1.4685 .
C13D C31D 1.3799 .
C13D C14D 1.4683 .
C14D C15D 1.3623 .
C14D C33D 1.5164 .
C15D C16D 1.5211 .
C16D C35D 1.3067 .
C16D C17D 1.5228 .
C17D C18D 1.3400 .
C18D C37D 1.4395 .
C18D C19D 1.4934 .
C19D C20D 1.2842 .
C19D C39D 1.4085 .
C20D C21D 1.3834 .
C21D C41D 1.4127 .
C21D C22D 1.5212 .
C22D C23D 1.4606 .
C23D C24D 1.4136 .
C23D C42D 1.4346 .
C24D C45D 1.3613 .
C24D C25D 1.4683 .
C25D C26D 1.4994 .
C26D C27D 1.3460 .
C26D C46D 1.3927 .
C27D C28D 1.4677 .
C28D C48D 1.3395 .
C28D C29D 1.4361 .
C29D C30D 1.4120 .
C30D C31D 1.3523 .
C30D C50D 1.4514 .
C31D C32D 1.4173 .
C32D C52D 1.3848 .
C32D C33D 1.4090 .
C33D C34D 1.3416 .
C34D C54D 1.3872 .
C34D C35D 1.4607 .
C35D C36D 1.4189 .
C36D C55D 1.3809 .
C36D C37D 1.3980 .
C37D C38D 1.4023 .
C38D C57D 1.3365 .
C38D C39D 1.4491 .
C39D C40D 1.4103 .
C40D C41D 1.3781 .
C40D C69D 1.4898 .
C41D C42D 1.4219 .
C42D C43D 1.3341 .
C43D C70D 1.3688 .
C43D C44D 1.4924 .
C44D C62D 1.3858 .
C44D C45D 1.4099 .
C45D C46D 1.6098 .
C46D C47D 1.3023 .
C47D C63D 1.3544 .
C47D C48D 1.5776 .
C48D C49D 1.3788 .
C49D C50D 1.4394 .
C49D C64D 1.5087 .
C50D C51D 1.4831 .
C51D C52D 1.3391 .
C51D C66D 1.3708 .
C52D C53D 1.4641 .
C53D C54D 1.3359 .
C53D C67D 1.3984 .
C54D C55D 1.4474 .
C55D C56D 1.3065 .
C56D C68D 1.4192 .
C56D C57D 1.5022 .
C57D C58D 1.3815 .
C58D C69D 1.3931 .
C58D C59D 1.4601 .
C59D C60D 1.3820 .
C59D C68D 1.4484 .
C60D C61D 1.3344 .
C60D C65D 1.5457 .
C61D C62D 1.4786 .
C61D C70D 1.5062 .
C62D C63D 1.3446 .
C63D C64D 1.3883 .
C64D C65D 1.3924 .
C65D C66D 1.3858 .
C66D C67D 1.4429 .
C67D C68D 1.3358 .
C69D C70D 1.3436 .
C1D' C2D' 1.421(4) .
C1D' C6D' 1.449(5) .
C1D' C9D' 1.516(5) .
C2D' C3D' 1.403(4) .
C2D' C12' 1.527(5) .
C3D' C15' 1.348(5) .
C3D' C4D' 1.472(5) .
C4D' C17' 1.368(4) .
C4D' C5D' 1.391(4) .
C5D' C6D' 1.394(4) .
C5D' C20' 1.572(5) .
C6D' C7D' 1.472(5) .
C7D' C22' 1.312(4) .
C7D' C8D' 1.446(5) .
C8D' C25' 1.355(4) .
C8D' C9D' 1.489(5) .
C9D' C10' 1.355(4) .
C10' C11' 1.452(5) .
C10' C27' 1.508(5) .
C11' C29' 1.417(5) .
C11' C12' 1.445(5) .
C12' C13' 1.477(5) .
C13' C31' 1.381(5) .
C13' C14' 1.469(5) .
C14' C15' 1.355(4) .
C14' C33' 1.512(5) .
C15' C16' 1.520(5) .
C16' C35' 1.303(4) .
C16' C17' 1.518(5) .
C17' C18' 1.339(4) .
C18' C37' 1.435(4) .
C18' C19' 1.490(5) .
C19' C20' 1.285(4) .
C19' C39' 1.409(5) .
C20' C21' 1.377(5) .
C21' C41' 1.412(5) .
C21' C22' 1.514(5) .
C22' C23' 1.457(5) .
C23' C24' 1.407(5) .
C23' C42' 1.432(5) .
C24' C45' 1.357(5) .
C24' C25' 1.467(5) .
C25' C26' 1.500(5) .
C26' C27' 1.346(5) .
C26' C46' 1.392(5) .
C27' C28' 1.471(5) .
C28' C48' 1.344(4) .
C28' C29' 1.443(5) .
C29' C30' 1.416(4) .
C30' C31' 1.354(4) .
C30' C50' 1.451(5) .
C31' C32' 1.413(5) .
C32' C52' 1.384(4) .
C32' C33' 1.406(5) .
C33' C34' 1.335(4) .
C34' C54' 1.386(5) .
C34' C35' 1.458(5) .
C35' C36' 1.418(4) .
C36' C55' 1.380(5) .
C36' C37' 1.393(4) .
C37' C38' 1.406(5) .
C38' C57' 1.341(4) .
C38' C39' 1.448(4) .
C39' C40' 1.416(4) .
C40' C41' 1.375(4) .
C40' C69' 1.491(4) .
C41' C42' 1.416(5) .
C42' C43' 1.326(4) .
C43' C70' 1.369(4) .
C43' C44' 1.485(5) .
C44' C62' 1.382(5) .
C44' C45' 1.406(4) .
C45' C46' 1.607(5) .
C46' C47' 1.298(4) .
C47' C63' 1.350(4) .
C47' C48' 1.574(5) .
C48' C49' 1.379(5) .
C49' C50' 1.435(4) .
C49' C64' 1.508(5) .
C50' C51' 1.483(4) .
C51' C52' 1.339(5) .
C51' C66' 1.374(4) .
C52' C53' 1.463(4) .
C53' C54' 1.335(4) .
C53' C67' 1.399(5) .
C54' C55' 1.448(5) .
C55' C56' 1.309(4) .
C56' C68' 1.424(5) .
C56' C57' 1.507(5) .
C57' C58' 1.385(5) .
C58' C69' 1.396(4) .
C58' C59' 1.468(5) .
C59' C60' 1.390(4) .
C59' C68' 1.455(5) .
C60' C61' 1.334(4) .
C60' C65' 1.551(5) .
C61' C62' 1.476(5) .
C61' C70' 1.502(5) .
C62' C63' 1.340(5) .
C63' C64' 1.383(5) .
C64' C65' 1.392(4) .
C65' C66' 1.386(4) .
C66' C67' 1.445(4) .
C67' C68' 1.338(4) .
C69' C70' 1.343(4) .
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
N1 C1 C2 C3 1.4(4) . .
C19 C1 C2 C3 -175.2(4) 2_656 .
C1 C2 C3 C4 -1.2(4) . .
C2 C3 C4 N1 0.7(4) . .
C2 C3 C4 C5 -176.6(4) . .
N1 C4 C5 C15 -9.3(6) . .
C3 C4 C5 C15 167.6(4) . .
N1 C4 C5 C6 170.2(3) . .
C3 C4 C5 C6 -12.9(5) . .
C4 C5 C6 C7 -87.1(5) . .
C15 C5 C6 C7 92.4(5) . .
C4 C5 C6 C11 91.5(5) . .
C15 C5 C6 C11 -89.0(5) . .
C11 C6 C7 C8 -1.1(6) . .
C5 C6 C7 C8 177.5(4) . .
C11 C6 C7 C12 179.4(4) . .
C5 C6 C7 C12 -2.0(6) . .
C6 C7 C8 C9 -0.5(7) . .
C12 C7 C8 C9 179.0(5) . .
C7 C8 C9 C10 1.4(8) . .
C7 C8 C9 C13 -179.8(5) . .
C8 C9 C10 C11 -0.7(8) . .
C13 C9 C10 C11 -179.4(5) . .
C9 C10 C11 C6 -0.9(7) . .
C9 C10 C11 C14 -179.4(5) . .
C7 C6 C11 C10 1.8(6) . .
C5 C6 C11 C10 -176.7(4) . .
C7 C6 C11 C14 -179.7(4) . .
C5 C6 C11 C14 1.7(6) . .
C4 C5 C15 N2 11.0(6) . .
C6 C5 C15 N2 -168.4(3) . .
C4 C5 C15 C16 -166.2(4) . .
C6 C5 C15 C16 14.4(6) . .
N2 C15 C16 C17 -0.5(4) . .
C5 C15 C16 C17 177.0(4) . .
C15 C16 C17 C18 1.6(4) . .
C16 C17 C18 N2 -2.2(4) . .
C16 C17 C18 C19 177.6(4) . .
N2 C18 C19 C1 -0.1(6) . 2_656
C17 C18 C19 C1 -179.9(4) . 2_656
N2 C18 C19 C20 177.0(3) . .
C17 C18 C19 C20 -2.8(5) . .
C18 C19 C20 C21 -64.7(5) . .
C1 C19 C20 C21 112.6(4) 2_656 .
C18 C19 C20 C25 115.3(4) . .
C1 C19 C20 C25 -67.4(5) 2_656 .
C25 C20 C21 C22 0.8(7) . .
C19 C20 C21 C22 -179.2(4) . .
C20 C21 C22 C23 -0.4(7) . .
C21 C22 C23 C24 -0.6(7) . .
C22 C23 C24 O1 -179.5(4) . .
C22 C23 C24 C25 1.3(7) . .
O1 C24 C25 C20 179.9(4) . .
C23 C24 C25 C20 -1.0(7) . .
C21 C20 C25 C24 0.0(6) . .
C19 C20 C25 C24 179.9(4) . .
O1 C26 C27 C28 179.4(4) . .
C26 C27 C28 C29 178.3(4) . .
C27 C28 C29 C30 -169.7(4) . .
C28 C29 C30 C31 -66.8(6) . .
C29 C30 C31 O2 -68.7(5) . .
N4 C32 C33 C34 -1.0(5) . .
C47 C32 C33 C34 176.6(4) 2_656 .
C32 C33 C34 C35 1.7(5) . .
C33 C34 C35 N4 -1.9(5) . .
C33 C34 C35 C36 173.9(4) . .
N4 C35 C36 C43 3.9(6) . .
C34 C35 C36 C43 -171.1(4) . .
N4 C35 C36 C37 -176.3(3) . .
C34 C35 C36 C37 8.6(6) . .
C43 C36 C37 C42 -119.9(4) . .
C35 C36 C37 C42 60.4(5) . .
C43 C36 C37 C38 57.6(5) . .
C35 C36 C37 C38 -122.2(5) . .
C42 C37 C38 C39 2.1(7) . .
C36 C37 C38 C39 -175.3(4) . .
C37 C38 C39 C40 -1.7(7) . .
C38 C39 C40 C41 -0.4(7) . .
C39 C40 C41 O2 -178.1(4) . .
C39 C40 C41 C42 2.0(7) . .
O2 C41 C42 C37 178.6(4) . .
C40 C41 C42 C37 -1.5(7) . .
C38 C37 C42 C41 -0.5(6) . .
C36 C37 C42 C41 177.0(4) . .
C35 C36 C43 N3 -1.2(6) . .
C37 C36 C43 N3 179.1(3) . .
C35 C36 C43 C44 176.5(4) . .
C37 C36 C43 C44 -3.2(6) . .
N3 C43 C44 C45 3.2(5) . .
C36 C43 C44 C45 -174.8(4) . .
C43 C44 C45 C46 -2.4(5) . .
C44 C45 C46 N3 0.9(5) . .
C44 C45 C46 C47 -176.5(4) . .
N3 C46 C47 C32 -9.7(6) . 2_656
C45 C46 C47 C32 167.3(4) . 2_656
N3 C46 C47 C48 167.7(4) . .
C45 C46 C47 C48 -15.3(6) . .
C46 C47 C48 C53 87.8(5) . .
C32 C47 C48 C53 -94.6(5) 2_656 .
C46 C47 C48 C49 -90.0(5) . .
C32 C47 C48 C49 87.6(5) 2_656 .
C53 C48 C49 C50 1.1(6) . .
C47 C48 C49 C50 178.9(4) . .
C53 C48 C49 C54 -178.5(4) . .
C47 C48 C49 C54 -0.7(6) . .
C48 C49 C50 C51 0.5(7) . .
C54 C49 C50 C51 -179.9(4) . .
C49 C50 C51 C52 -0.7(7) . .
C49 C50 C51 C55 179.1(4) . .
C50 C51 C52 C53 -0.6(7) . .
C55 C51 C52 C53 179.6(4) . .
C51 C52 C53 C48 2.1(7) . .
C51 C52 C53 C56 -177.1(5) . .
C49 C48 C53 C52 -2.4(6) . .
C47 C48 C53 C52 179.9(4) . .
C49 C48 C53 C56 176.9(4) . .
C47 C48 C53 C56 -0.9(6) . .
N5 C57 C58 C59 1.9(6) . .
C57 C58 C59 C58 -0.9(3) . 2_656
C57 C58 C59 N6 179.1(3) . .
O3 C60 C61 C62 1.8(7) . .
N6 C60 C61 C62 -178.7(4) . .
O3 C60 C61 C63 179.4(4) . .
N6 C60 C61 C63 -1.0(5) . .
C63 C61 C62 C66 6.1(6) . 2_656
C60 C61 C62 C66 -176.3(4) . 2_656
C62 C61 C63 C64 -1.9(5) . .
C60 C61 C63 C64 -179.5(3) . .
C62 C61 C63 C61 178.1(5) . 2_656
C60 C61 C63 C61 0.5(3) . 2_656
C61 C63 C64 C65 172.0(3) . .
C61 C63 C64 C65 -8.0(3) 2_656 .
C61 C63 C64 C65 -8.0(3) . 2_656
C61 C63 C64 C65 172.0(3) 2_656 2_656
C63 C64 C65 C66 13.4(4) . .
C65 C64 C65 C66 -166.6(4) 2_656 .
C63 C64 C65 C77 -167.1(3) . .
C65 C64 C65 C77 12.9(3) 2_656 .
C64 C65 C66 O4 162.8(3) . .
C77 C65 C66 O4 -16.6(6) . .
C64 C65 C66 C62 -9.4(6) . 2_656
C77 C65 C66 C62 171.1(4) . 2_656
O4 C67 C68 C69 -176.9(4) . .
C72 C67 C68 C69 -1.7(6) . .
C67 C68 C69 C70 1.1(6) . .
C68 C69 C70 C71 0.5(6) . .
C68 C69 C70 C73 177.8(4) . .
C69 C70 C71 C72 -1.5(6) . .
C73 C70 C71 C72 -178.8(4) . .
C70 C71 C72 C67 0.9(6) . .
C68 C67 C72 C71 0.7(6) . .
O4 C67 C72 C71 176.3(4) . .
C69 C70 C73 C75 132.7(5) . .
C71 C70 C73 C75 -50.2(6) . .
C69 C70 C73 C76 -107.2(5) . .
C71 C70 C73 C76 70.0(5) . .
C69 C70 C73 C74 12.1(6) . .
C71 C70 C73 C74 -170.7(4) . .
C66 C65 C77 C78 -28.3(6) . .
C64 C65 C77 C78 152.2(4) . .
C66 C65 C77 C82 153.7(4) . .
C64 C65 C77 C82 -25.7(5) . .
C82 C77 C78 O5 168.7(3) . .
C65 C77 C78 O5 -9.3(6) . .
C82 C77 C78 C79 -7.4(6) . .
C65 C77 C78 C79 174.7(4) . .
O5 C78 C79 C80 -179.4(4) . .
C77 C78 C79 C80 -3.3(6) . .
C78 C79 C80 C81 6.7(6) . .
C78 C79 C80 C93 -175.4(4) . .
C79 C80 C81 C80 -179.0(5) . 2_656
C93 C80 C81 C80 3.1(3) . 2_656
C79 C80 C81 C82 1.0(5) . .
C93 C80 C81 C82 -176.9(3) . .
C80 C81 C82 C77 -11.8(3) . .
C80 C81 C82 C77 168.2(3) 2_656 .
C80 C81 C82 C77 168.2(3) . 2_656
C80 C81 C82 C77 -11.8(3) 2_656 2_656
C78 C77 C82 C81 14.7(4) . .
C65 C77 C82 C81 -167.2(2) . .
C78 C77 C82 C77 -165.3(4) . 2_656
C65 C77 C82 C77 12.8(2) . 2_656
C88 C83 C84 C85 2.3(6) . .
O5 C83 C84 C85 179.0(3) . .
C83 C84 C85 C86 0.7(6) . .
C84 C85 C86 C87 -2.6(6) . .
C84 C85 C86 C89 177.9(4) . .
C85 C86 C87 C88 1.6(6) . .
C89 C86 C87 C88 -178.9(4) . .
C86 C87 C88 C83 1.3(6) . .
C84 C83 C88 C87 -3.3(6) . .
O5 C83 C88 C87 -179.9(4) . .
C85 C86 C89 C91 -4.0(6) . .
C87 C86 C89 C91 176.6(4) . .
C85 C86 C89 C92 -123.6(5) . .
C87 C86 C89 C92 56.9(6) . .
C85 C86 C89 C90 117.6(5) . .
C87 C86 C89 C90 -61.9(5) . .
C79 C80 C93 O6 -3.6(7) . .
C81 C80 C93 O6 174.3(4) . .
C79 C80 C93 N8 176.1(4) . .
C81 C80 C93 N8 -6.0(5) . .
O6 C93 N8 C93 -177.4(5) . 2_656
C80 C93 N8 C93 2.9(3) . 2_656
O6 C93 N8 C94 2.6(5) . .
C80 C93 N8 C94 -177.1(3) . .
C93 N8 C94 C95 -105.2(3) . .
C93 N8 C94 C95 74.8(3) 2_656 .
C93 N8 C94 C95 74.8(3) . 2_656
C93 N8 C94 C95 -105.2(3) 2_656 2_656
C95 C94 C95 C97 0.2(3) 2_656 1_545
N8 C94 C95 C97 -179.8(3) . 1_545
C6S C1S C2S C3S -1.0(8) . .
C7S C1S C2S C3S 179.2(6) . .
C1S C2S C3S C4S -1.3(9) . .
C2S C3S C4S C5S 3.2(9) . .
C2S C3S C4S C8S -176.1(6) . .
C3S C4S C5S C6S -2.9(10) . .
C8S C4S C5S C6S 176.4(7) . .
C4S C5S C6S C1S 0.7(10) . .
C2S C1S C6S C5S 1.2(9) . .
C7S C1S C6S C5S -178.9(6) . .
C6T C1T C2T C3T -0.7(8) . .
C7T C1T C2T C3T 177.4(5) . .
C1T C2T C3T C4T 0.2(8) . .
C2T C3T C4T C5T 0.5(8) . .
C2T C3T C4T C8T -179.8(5) . .
C3T C4T C5T C6T -0.7(8) . .
C8T C4T C5T C6T 179.6(5) . .
C4T C5T C6T C1T 0.1(9) . .
C2T C1T C6T C5T 0.6(8) . .
C7T C1T C6T C5T -177.5(5) . .
C6U C1U C2U C3U 0.1(8) . .
C7U C1U C2U C3U 178.0(6) . .
C1U C2U C3U C4U 0.0(8) . .
C2U C3U C4U C5U -0.2(8) . .
C2U C3U C4U C8U 179.9(5) . .
C3U C4U C5U C6U 0.4(8) . .
C8U C4U C5U C6U -179.7(5) . .
C2U C1U C6U C5U 0.1(8) . .
C7U C1U C6U C5U -177.8(6) . .
C4U C5U C6U C1U -0.3(9) . .
C6V C1V C2V C3V -0.6(10) . .
C7V C1V C2V C3V 179.9(6) . .
C1V C2V C3V C4V -1.7(10) . .
C2V C3V C4V C5V 3.2(10) . .
C2V C3V C4V C8V -176.9(7) . .
C3V C4V C5V C6V -2.5(9) . .
C8V C4V C5V C6V 177.7(6) . .
C4V C5V C6V C1V 0.2(10) . .
C2V C1V C6V C5V 1.4(9) . .
C7V C1V C6V C5V -179.2(6) . .
C6W C1W C2W C3W -0.7(9) . .
C7W C1W C2W C3W 178.2(6) . .
C1W C2W C3W C4W 1.6(10) . .
C2W C3W C4W C5W -1.9(10) . .
C2W C3W C4W C8W 179.6(7) . .
C3W C4W C5W C6W 1.3(10) . .
C8W C4W C5W C6W 179.8(6) . .
C4W C5W C6W C1W -0.5(10) . .
C2W C1W C6W C5W 0.2(9) . .
C7W C1W C6W C5W -178.8(6) . .
C6X C1X C2X C3X -0.2(9) . .
C7X C1X C2X C3X 178.5(6) . .
C1X C2X C3X C4X -0.3(10) . .
C2X C3X C4X C5X 1.4(9) . .
C2X C3X C4X C8X -178.6(6) . .
C3X C4X C5X C6X -2.2(9) . .
C8X C4X C5X C6X 177.9(6) . .
C4X C5X C6X C1X 1.8(9) . .
C2X C1X C6X C5X -0.6(9) . .
C7X C1X C6X C5X -179.2(6) . .
C6Y C1Y C2Y C3Y -1.0(10) . .
C8Y C1Y C2Y C3Y 178.6(7) . .
C1Y C2Y C3Y C4Y 1.1(10) . .
C2Y C3Y C4Y C5Y -1.0(9) . .
C2Y C3Y C4Y C7Y -177.9(6) . .
C3Y C4Y C5Y C6Y 0.8(11) . .
C7Y C4Y C5Y C6Y 177.7(7) . .
C4Y C5Y C6Y C1Y -0.8(12) . .
C2Y C1Y C6Y C5Y 0.9(11) . .
C8Y C1Y C6Y C5Y -178.8(8) . .
C6Z C1Z C2Z C3Z -0.5(10) . .
C7Z C1Z C2Z C3Z 176.4(6) . .
C1Z C2Z C3Z C4Z 0.3(10) . .
C2Z C3Z C4Z C5Z -0.4(9) . .
C2Z C3Z C4Z C8Z -177.2(6) . .
C3Z C4Z C5Z C6Z 0.8(9) . .
C8Z C4Z C5Z C6Z 177.5(6) . .
C4Z C5Z C6Z C1Z -1.1(10) . .
C2Z C1Z C6Z C5Z 0.9(10) . .
C7Z C1Z C6Z C5Z -176.0(7) . .
C5 C4 N1 C1 177.4(4) . .
C3 C4 N1 C1 0.2(4) . .
C5 C4 N1 Zn1 -11.3(5) . .
C3 C4 N1 Zn1 171.4(2) . .
C19 C1 N1 C4 175.7(3) 2_656 .
C2 C1 N1 C4 -0.9(4) . .
C19 C1 N1 Zn1 4.7(5) 2_656 .
C2 C1 N1 Zn1 -171.9(2) . .
C5 C15 N2 C18 -178.4(3) . .
C16 C15 N2 C18 -0.9(4) . .
C5 C15 N2 Zn1 8.1(5) . .
C16 C15 N2 Zn1 -174.4(2) . .
C19 C18 N2 C15 -178.0(3) . .
C17 C18 N2 C15 1.9(4) . .
C19 C18 N2 Zn1 -4.6(5) . .
C17 C18 N2 Zn1 175.3(2) . .
C36 C43 N3 C46 175.4(4) . .
C44 C43 N3 C46 -2.6(4) . .
C36 C43 N3 Zn2 2.6(6) . .
C44 C43 N3 Zn2 -175.4(3) . .
C47 C46 N3 C43 178.5(4) . .
C45 C46 N3 C43 1.1(4) . .
C47 C46 N3 Zn2 -8.3(5) . .
C45 C46 N3 Zn2 174.3(3) . .
C36 C35 N4 C32 -174.4(4) . .
C34 C35 N4 C32 1.3(4) . .
C36 C35 N4 Zn2 -7.8(5) . .
C34 C35 N4 Zn2 167.9(3) . .
C47 C32 N4 C35 -177.7(4) 2_656 .
C33 C32 N4 C35 -0.2(4) . .
C47 C32 N4 Zn2 14.8(5) 2_656 .
C33 C32 N4 Zn2 -167.7(3) . .
C58 C57 N5 C57 -1.0(3) . 2_656
C58 C57 N5 Zn1 179.0(3) . .
O3 C60 N6 C60 -180.0(5) . 2_656
C61 C60 N6 C60 0.5(3) . 2_656
O3 C60 N6 C59 0.0(5) . .
C61 C60 N6 C59 -179.5(3) . .
C58 C59 N6 C60 -60.4(3) 2_656 .
C58 C59 N6 C60 119.6(3) . .
C58 C59 N6 C60 119.6(3) 2_656 2_656
C58 C59 N6 C60 -60.4(3) . 2_656
C95 C97 N7 C97 0.2(4) 1_565 2_656
C95 C97 N7 Zn2 -179.8(4) 1_565 .
C25 C24 O1 C26 -3.5(6) . .
C23 C24 O1 C26 177.4(4) . .
C27 C26 O1 C24 -174.9(4) . .
C40 C41 O2 C31 161.8(4) . .
C42 C41 O2 C31 -18.3(6) . .
C30 C31 O2 C41 -161.8(4) . .
C65 C66 O4 C67 140.9(4) . .
C62 C66 O4 C67 -46.7(5) 2_656 .
C68 C67 O4 C66 -28.1(5) . .
C72 C67 O4 C66 156.5(4) . .
C77 C78 O5 C83 143.3(4) . .
C79 C78 O5 C83 -40.6(5) . .
C84 C83 O5 C78 147.4(4) . .
C88 C83 O5 C78 -35.9(5) . .
C6D C1D C2D C3D -3.8 . .
C9D C1D C2D C3D -150.9 . .
C6D C1D C2D C12D 138.8 . .
C9D C1D C2D C12D -8.2 . .
C1D C2D C3D C15D 153.1 . .
C12D C2D C3D C15D 10.9 . .
C1D C2D C3D C4D 7.1 . .
C12D C2D C3D C4D -135.2 . .
C15D C3D C4D C17D 3.9 . .
C2D C3D C4D C17D 152.7 . .
C15D C3D C4D C5D -151.5 . .
C2D C3D C4D C5D -2.7 . .
C17D C4D C5D C6D -156.7 . .
C3D C4D C5D C6D -5.4 . .
C17D C4D C5D C20D -13.3 . .
C3D C4D C5D C20D 138.0 . .
C4D C5D C6D C1D 8.7 . .
C20D C5D C6D C1D -132.5 . .
C4D C5D C6D C7D 147.8 . .
C20D C5D C6D C7D 6.6 . .
C2D C1D C6D C5D -4.4 . .
C9D C1D C6D C5D 146.1 . .
C2D C1D C6D C7D -148.2 . .
C9D C1D C6D C7D 2.4 . .
C5D C6D C7D C22D -2.6 . .
C1D C6D C7D C22D 140.9 . .
C5D C6D C7D C8D -146.1 . .
C1D C6D C7D C8D -2.6 . .
C22D C7D C8D C25D -1.9 . .
C6D C7D C8D C25D 143.8 . .
C22D C7D C8D C9D -144.0 . .
C6D C7D C8D C9D 1.7 . .
C25D C8D C9D C10D -4.9 . .
C7D C8D C9D C10D 141.4 . .
C25D C8D C9D C1D -146.6 . .
C7D C8D C9D C1D -0.3 . .
C2D C1D C9D C10D 6.9 . .
C6D C1D C9D C10D -144.4 . .
C2D C1D C9D C8D 150.0 . .
C6D C1D C9D C8D -1.3 . .
C8D C9D C10D C11D -136.1 . .
C1D C9D C10D C11D 0.9 . .
C8D C9D C10D C27D 5.0 . .
C1D C9D C10D C27D 141.9 . .
C9D C10D C11D C29D 142.1 . .
C27D C10D C11D C29D -3.2 . .
C9D C10D C11D C12D -6.1 . .
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C10D C11D C12D C13D 157.2 . .
C29D C11D C12D C2D -140.4 . .
C10D C11D C12D C2D 4.2 . .
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C11D C12D C13D C31D -13.3 . .
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C31D C13D C14D C15D -142.6 . .
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C31D C13D C14D C33D 0.2 . .
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C4D C3D C15D C14D 138.6 . .
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C13D C14D C15D C3D 0.7 . .
C33D C14D C15D C3D -135.3 . .
C13D C14D C15D C16D 137.7 . .
C33D C14D C15D C16D 1.7 . .
C3D C15D C16D C35D 142.0 . .
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C3D C15D C16D C17D -1.8 . .
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C5D C4D C17D C18D 13.9 . .
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C15D C16D C17D C4D 4.2 . .
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C6D C5D C20D C21D -6.9 . .
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C9D C10D C27D C28D -142.9 . .
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C26D C27D C28D C29D -142.9 . .
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C12D C11D C29D C30D -0.3 . .
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C48D C28D C29D C11D -142.6 . .
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C48D C28D C29D C30D 3.0 . .
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C11D C29D C30D C31D -13.4 . .
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C11D C29D C30D C50D 140.1 . .
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C29D C30D C31D C13D 13.1 . .
C50D C30D C31D C13D -139.2 . .
C29D C30D C31D C32D 150.6 . .
C50D C30D C31D C32D -1.7 . .
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C12D C13D C31D C32D -141.7 . .
C30D C31D C32D C52D -1.7 . .
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C32D C33D C34D C54D 4.0 . .
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C32D C33D C34D C35D -135.3 . .
C14D C33D C34D C35D -1.3 . .
C15D C16D C35D C36D -137.5 . .
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C33D C34D C35D C36D 144.5 . .
C54D C34D C35D C36D -0.3 . .
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C34D C35D C36D C55D 2.5 . .
C16D C35D C36D C37D -1.9 . .
C34D C35D C36D C37D -144.5 . .
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C55D C36D C37D C18D -139.2 . .
C35D C36D C37D C18D 4.4 . .
C17D C18D C37D C36D -5.4 . .
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C19D C18D C37D C38D 5.9 . .
C36D C37D C38D C57D 4.0 . .
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C36D C37D C38D C39D -141.5 . .
C18D C37D C38D C39D -5.2 . .
C20D C19D C39D C40D -2.9 . .
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C18D C19D C39D C38D 1.2 . .
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C37D C38D C39D C19D 2.5 . .
C57D C38D C39D C40D 1.8 . .
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C38D C39D C40D C69D -2.6 . .
C39D C40D C41D C21D 8.6 . .
C69D C40D C41D C21D -140.8 . .
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C69D C40D C41D C42D 2.9 . .
C20D C21D C41D C40D 3.7 . .
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C20D C21D C41D C42D -142.6 . .
C22D C21D C41D C42D 0.7 . .
C40D C41D C42D C43D -1.9 . .
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C40D C41D C42D C23D -149.6 . .
C21D C41D C42D C23D -2.0 . .
C24D C23D C42D C43D 0.1 . .
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C24D C23D C42D C41D 146.6 . .
C22D C23D C42D C41D 2.4 . .
C41D C42D C43D C70D -1.0 . .
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C41D C42D C43D C44D -143.5 . .
C23D C42D C43D C44D -0.3 . .
C42D C43D C44D C62D 143.3 . .
C70D C43D C44D C62D -4.4 . .
C42D C43D C44D C45D 0.4 . .
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C23D C24D C45D C44D 0.2 . .
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C23D C24D C45D C46D -140.9 . .
C25D C24D C45D C46D -3.0 . .
C62D C44D C45D C24D -137.7 . .
C43D C44D C45D C24D -0.4 . .
C62D C44D C45D C46D 1.6 . .
C43D C44D C45D C46D 138.9 . .
C27D C26D C46D C47D 3.6 . .
C25D C26D C46D C47D -137.0 . .
C27D C26D C46D C45D 143.0 . .
C25D C26D C46D C45D 2.4 . .
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C44D C45D C46D C47D 0.3 . .
C24D C45D C46D C26D 0.3 . .
C44D C45D C46D C26D -146.9 . .
C26D C46D C47D C63D 130.6 . .
C45D C46D C47D C63D -5.4 . .
C26D C46D C47D C48D -3.1 . .
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C29D C28D C48D C49D 1.0 . .
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C27D C28D C48D C47D -0.9 . .
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C63D C47D C48D C28D -142.7 . .
C46D C47D C48D C49D 148.4 . .
C63D C47D C48D C49D 4.1 . .
C28D C48D C49D C50D -7.0 . .
C47D C48D C49D C50D -151.9 . .
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C48D C49D C50D C30D 9.2 . .
C64D C49D C50D C30D -134.0 . .
C48D C49D C50D C51D 152.0 . .
C64D C49D C50D C51D 8.8 . .
C31D C30D C50D C49D 147.2 . .
C29D C30D C50D C49D -5.5 . .
C31D C30D C50D C51D 7.0 . .
C29D C30D C50D C51D -145.6 . .
C49D C50D C51D C52D -152.4 . .
C30D C50D C51D C52D -9.0 . .
C49D C50D C51D C66D -6.9 . .
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C66D C51D C52D C32D -144.7 . .
C50D C51D C52D C32D 6.0 . .
C66D C51D C52D C53D 1.1 . .
C50D C51D C52D C53D 151.8 . .
C33D C32D C52D C51D 141.6 . .
C31D C32D C52D C51D -0.7 . .
C33D C32D C52D C53D -2.1 . .
C31D C32D C52D C53D -144.4 . .
C51D C52D C53D C54D -142.6 . .
C32D C52D C53D C54D 6.3 . .
C51D C52D C53D C67D -1.2 . .
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C67D C53D C54D C34D -141.4 . .
C52D C53D C54D C34D -5.3 . .
C67D C53D C54D C55D 1.9 . .
C52D C53D C54D C55D 137.9 . .
C33D C34D C54D C53D 0.1 . .
C35D C34D C54D C53D 145.1 . .
C33D C34D C54D C55D -147.0 . .
C35D C34D C54D C55D -2.0 . .
C37D C36D C55D C56D 8.5 . .
C35D C36D C55D C56D -138.1 . .
C37D C36D C55D C54D 143.0 . .
C35D C36D C55D C54D -3.6 . .
C53D C54D C55D C56D -4.9 . .
C34D C54D C55D C56D 140.6 . .
C53D C54D C55D C36D -142.0 . .
C34D C54D C55D C36D 3.5 . .
C36D C55D C56D C68D 134.4 . .
C54D C55D C56D C68D 4.3 . .
C36D C55D C56D C57D -6.0 . .
C54D C55D C56D C57D -136.2 . .
C37D C38D C57D C58D -140.5 . .
C39D C38D C57D C58D 1.8 . .
C37D C38D C57D C56D -1.6 . .
C39D C38D C57D C56D 140.8 . .
C55D C56D C57D C38D 2.6 . .
C68D C56D C57D C38D -143.8 . .
C55D C56D C57D C58D 146.6 . .
C68D C56D C57D C58D 0.3 . .
C38D C57D C58D C69D -4.5 . .
C56D C57D C58D C69D -145.6 . .
C38D C57D C58D C59D 142.4 . .
C56D C57D C58D C59D 1.3 . .
C57D C58D C59D C60D -145.9 . .
C69D C58D C59D C60D 1.3 . .
C57D C58D C59D C68D -2.3 . .
C69D C58D C59D C68D 144.9 . .
C68D C59D C60D C61D -153.0 . .
C58D C59D C60D C61D -14.6 . .
C68D C59D C60D C65D 1.8 . .
C58D C59D C60D C65D 140.2 . .
C59D C60D C61D C62D 154.4 . .
C65D C60D C61D C62D 0.3 . .
C59D C60D C61D C70D 15.8 . .
C65D C60D C61D C70D -138.3 . .
C45D C44D C62D C63D 1.0 . .
C43D C44D C62D C63D -137.8 . .
C45D C44D C62D C61D 142.4 . .
C43D C44D C62D C61D 3.6 . .
C60D C61D C62D C63D -2.6 . .
C70D C61D C62D C63D 140.7 . .
C60D C61D C62D C44D -145.0 . .
C70D C61D C62D C44D -1.7 . .
C44D C62D C63D C47D -5.4 . .
C61D C62D C63D C47D -142.6 . .
C44D C62D C63D C64D 139.0 . .
C61D C62D C63D C64D 1.8 . .
C46D C47D C63D C62D 8.2 . .
C48D C47D C63D C62D 143.6 . .
C46D C47D C63D C64D -137.9 . .
C48D C47D C63D C64D -2.5 . .
C62D C63D C64D C65D 1.4 . .
C47D C63D C64D C65D 147.4 . .
C62D C63D C64D C49D -146.0 . .
C47D C63D C64D C49D 0.1 . .
C48D C49D C64D C63D 2.8 . .
C50D C49D C64D C63D 149.0 . .
C48D C49D C64D C65D -148.3 . .
C50D C49D C64D C65D -2.1 . .
C63D C64D C65D C66D -151.9 . .
C49D C64D C65D C66D -7.9 . .
C63D C64D C65D C60D -3.5 . .
C49D C64D C65D C60D 140.5 . .
C61D C60D C65D C66D 151.4 . .
C59D C60D C65D C66D -3.8 . .
C61D C60D C65D C64D 2.5 . .
C59D C60D C65D C64D -152.7 . .
C52D C51D C66D C65D 145.1 . .
C50D C51D C66D C65D -2.3 . .
C52D C51D C66D C67D -0.4 . .
C50D C51D C66D C67D -147.8 . .
C64D C65D C66D C51D 10.2 . .
C60D C65D C66D C51D -136.2 . .
C64D C65D C66D C67D 151.2 . .
C60D C65D C66D C67D 4.8 . .
C54D C53D C67D C68D 2.0 . .
C52D C53D C67D C68D -141.1 . .
C54D C53D C67D C66D 144.0 . .
C52D C53D C67D C66D 0.9 . .
C51D C66D C67D C68D 141.6 . .
C65D C66D C67D C68D -3.7 . .
C51D C66D C67D C53D -0.4 . .
C65D C66D C67D C53D -145.7 . .
C53D C67D C68D C56D -2.6 . .
C66D C67D C68D C56D -140.2 . .
C53D C67D C68D C59D 139.2 . .
C66D C67D C68D C59D 1.6 . .
C55D C56D C68D C67D -0.7 . .
C57D C56D C68D C67D 144.7 . .
C55D C56D C68D C59D -147.1 . .
C57D C56D C68D C59D -1.7 . .
C60D C59D C68D C67D -0.8 . .
C58D C59D C68D C67D -142.9 . .
C60D C59D C68D C56D 144.6 . .
C58D C59D C68D C56D 2.5 . .
C57D C58D C69D C70D 153.1 . .
C59D C58D C69D C70D 10.5 . .
C57D C58D C69D C40D 3.4 . .
C59D C58D C69D C40D -139.1 . .
C41D C40D C69D C70D -1.1 . .
C39D C40D C69D C70D -150.4 . .
C41D C40D C69D C58D 149.3 . .
C39D C40D C69D C58D 0.0 . .
C58D C69D C70D C43D -152.1 . .
C40D C69D C70D C43D -1.8 . .
C58D C69D C70D C61D -9.4 . .
C40D C69D C70D C61D 140.9 . .
C42D C43D C70D C69D 2.9 . .
C44D C43D C70D C69D 149.4 . .
C42D C43D C70D C61D -143.2 . .
C44D C43D C70D C61D 3.2 . .
C60D C61D C70D C69D -3.5 . .
C62D C61D C70D C69D -148.3 . .
C60D C61D C70D C43D 143.7 . .
C62D C61D C70D C43D -1.0 . .
C6D' C1D' C2D' C3D' -5.2(16) . .
C9D' C1D' C2D' C3D' -150.1(11) . .
C6D' C1D' C2D' C12' 137.2(11) . .
C9D' C1D' C2D' C12' -7.6(15) . .
C1D' C2D' C3D' C15' 152.4(11) . .
C12' C2D' C3D' C15' 10.3(16) . .
C1D' C2D' C3D' C4D' 8.3(16) . .
C12' C2D' C3D' C4D' -133.8(12) . .
C15' C3D' C4D' C17' 3.3(14) . .
C2D' C3D' C4D' C17' 150.3(11) . .
C15' C3D' C4D' C5D' -150.1(12) . .
C2D' C3D' C4D' C5D' -3.0(18) . .
C17' C4D' C5D' C6D' -155.9(11) . .
C3D' C4D' C5D' C6D' -6.0(17) . .
C17' C4D' C5D' C20' -11.5(16) . .
C3D' C4D' C5D' C20' 138.5(12) . .
C4D' C5D' C6D' C1D' 9.2(15) . .
C20' C5D' C6D' C1D' -131.6(11) . .
C4D' C5D' C6D' C7D' 146.9(11) . .
C20' C5D' C6D' C7D' 6.1(15) . .
C2D' C1D' C6D' C5D' -3.9(16) . .
C9D' C1D' C6D' C5D' 144.1(11) . .
C2D' C1D' C6D' C7D' -145.7(11) . .
C9D' C1D' C6D' C7D' 2.2(12) . .
C5D' C6D' C7D' C22' -2.0(16) . .
C1D' C6D' C7D' C22' 141.2(11) . .
C5D' C6D' C7D' C8D' -146.4(10) . .
C1D' C6D' C7D' C8D' -3.2(12) . .
C22' C7D' C8D' C25' -1.7(16) . .
C6D' C7D' C8D' C25' 143.8(11) . .
C22' C7D' C8D' C9D' -142.6(11) . .
C6D' C7D' C8D' C9D' 3.0(12) . .
C25' C8D' C9D' C10' -4.4(15) . .
C7D' C8D' C9D' C10' 140.5(11) . .
C25' C8D' C9D' C1D' -146.5(10) . .
C7D' C8D' C9D' C1D' -1.6(12) . .
C2D' C1D' C9D' C10' 5.6(16) . .
C6D' C1D' C9D' C10' -143.5(11) . .
C2D' C1D' C9D' C8D' 148.8(11) . .
C6D' C1D' C9D' C8D' -0.4(12) . .
C8D' C9D' C10' C11' -135.3(11) . .
C1D' C9D' C10' C11' 1.2(16) . .
C8D' C9D' C10' C27' 4.5(15) . .
C1D' C9D' C10' C27' 141.0(10) . .
C9D' C10' C11' C29' 141.2(12) . .
C27' C10' C11' C29' -3.2(13) . .
C9D' C10' C11' C12' -5.0(16) . .
C27' C10' C11' C12' -149.4(11) . .
C29' C11' C12' C13' 14.1(16) . .
C10' C11' C12' C13' 156.6(10) . .
C29' C11' C12' C2D' -140.0(12) . .
C10' C11' C12' C2D' 2.5(17) . .
C3D' C2D' C12' C11' 145.5(12) . .
C1D' C2D' C12' C11' 3.7(17) . .
C3D' C2D' C12' C13' -5.6(17) . .
C1D' C2D' C12' C13' -147.4(12) . .
C11' C12' C13' C31' -16.2(16) . .
C2D' C12' C13' C31' 138.6(12) . .
C11' C12' C13' C14' -155.5(10) . .
C2D' C12' C13' C14' -0.7(16) . .
C31' C13' C14' C15' -142.6(11) . .
C12' C13' C14' C15' 2.7(15) . .
C31' C13' C14' C33' 1.3(12) . .
C12' C13' C14' C33' 146.6(10) . .
C2D' C3D' C15' C14' -9.0(17) . .
C4D' C3D' C15' C14' 138.1(11) . .
C2D' C3D' C15' C16' -148.4(11) . .
C4D' C3D' C15' C16' -1.3(13) . .
C13' C14' C15' C3D' 2.0(17) . .
C33' C14' C15' C3D' -136.1(11) . .
C13' C14' C15' C16' 139.2(10) . .
C33' C14' C15' C16' 1.1(14) . .
C3D' C15' C16' C35' 144.5(12) . .
C14' C15' C16' C35' 0.4(15) . .
C3D' C15' C16' C17' -0.9(12) . .
C14' C15' C16' C17' -145.0(10) . .
C5D' C4D' C17' C18' 12.1(18) . .
C3D' C4D' C17' C18' -141.9(11) . .
C5D' C4D' C17' C16' 150.2(11) . .
C3D' C4D' C17' C16' -3.8(13) . .
C35' C16' C17' C18' -1.4(14) . .
C15' C16' C17' C18' 145.9(10) . .
C35' C16' C17' C4D' -144.3(11) . .
C15' C16' C17' C4D' 2.9(12) . .
C4D' C17' C18' C37' 139.9(11) . .
C16' C17' C18' C37' 3.7(15) . .
C4D' C17' C18' C19' -6.6(16) . .
C16' C17' C18' C19' -142.9(10) . .
C17' C18' C19' C20' 2.3(16) . .
C37' C18' C19' C20' -149.6(11) . .
C17' C18' C19' C39' 147.2(10) . .
C37' C18' C19' C39' -4.7(11) . .
C39' C19' C20' C21' 16.3(19) . .
C18' C19' C20' C21' 152.9(11) . .
C39' C19' C20' C5D' -139.8(12) . .
C18' C19' C20' C5D' -3.2(18) . .
C4D' C5D' C20' C19' 7.7(18) . .
C6D' C5D' C20' C19' 149.7(13) . .
C4D' C5D' C20' C21' -149.0(12) . .
C6D' C5D' C20' C21' -7.0(16) . .
C19' C20' C21' C41' -17.8(17) . .
C5D' C20' C21' C41' 140.7(11) . .
C19' C20' C21' C22' -154.6(11) . .
C5D' C20' C21' C22' 3.9(16) . .
C8D' C7D' C22' C23' 3.3(15) . .
C6D' C7D' C22' C23' -137.8(10) . .
C8D' C7D' C22' C21' 140.0(10) . .
C6D' C7D' C22' C21' -1.1(16) . .
C20' C21' C22' C7D' -0.2(16) . .
C41' C21' C22' C7D' -140.5(11) . .
C20' C21' C22' C23' 142.3(11) . .
C41' C21' C22' C23' 2.0(12) . .
C7D' C22' C23' C24' -4.2(15) . .
C21' C22' C23' C24' -146.8(10) . .
C7D' C22' C23' C42' 139.7(11) . .
C21' C22' C23' C42' -2.8(12) . .
C42' C23' C24' C45' 0.3(14) . .
C22' C23' C24' C45' 139.7(10) . .
C42' C23' C24' C25' -136.1(10) . .
C22' C23' C24' C25' 3.2(14) . .
C7D' C8D' C25' C24' 0.9(15) . .
C9D' C8D' C25' C24' 139.8(9) . .
C7D' C8D' C25' C26' -133.7(10) . .
C9D' C8D' C25' C26' 5.2(14) . .
C45' C24' C25' C8D' -138.9(10) . .
C23' C24' C25' C8D' -1.6(14) . .
C45' C24' C25' C26' 4.3(12) . .
C23' C24' C25' C26' 141.6(10) . .
C8D' C25' C26' C27' -6.2(15) . .
C24' C25' C26' C27' -145.4(9) . .
C8D' C25' C26' C46' 135.5(11) . .
C24' C25' C26' C46' -3.6(11) . .
C46' C26' C27' C28' -2.3(14) . .
C25' C26' C27' C28' 137.1(9) . .
C46' C26' C27' C10' -133.5(10) . .
C25' C26' C27' C10' 5.8(13) . .
C9D' C10' C27' C26' -5.4(15) . .
C11' C10' C27' C26' 141.4(10) . .
C9D' C10' C27' C28' -141.9(11) . .
C11' C10' C27' C28' 4.9(11) . .
C26' C27' C28' C48' -0.1(14) . .
C10' C27' C28' C48' 137.6(11) . .
C26' C27' C28' C29' -142.8(10) . .
C10' C27' C28' C29' -5.1(11) . .
C12' C11' C29' C30' -0.5(17) . .
C10' C11' C29' C30' -143.8(11) . .
C12' C11' C29' C28' 143.4(12) . .
C10' C11' C29' C28' 0.1(13) . .
C48' C28' C29' C30' 3.0(16) . .
C27' C28' C29' C30' 147.5(11) . .
C48' C28' C29' C11' -141.2(11) . .
C27' C28' C29' C11' 3.2(12) . .
C11' C29' C30' C31' -13.6(17) . .
C28' C29' C30' C31' -152.2(11) . .
C11' C29' C30' C50' 137.6(12) . .
C28' C29' C30' C50' -1.0(17) . .
C29' C30' C31' C13' 12.0(17) . .
C50' C30' C31' C13' -139.3(11) . .
C29' C30' C31' C32' 150.6(11) . .
C50' C30' C31' C32' -0.7(17) . .
C14' C13' C31' C30' 143.2(11) . .
C12' C13' C31' C30' 3.5(17) . .
C14' C13' C31' C32' 0.3(13) . .
C12' C13' C31' C32' -139.4(11) . .
C30' C31' C32' C52' -0.3(16) . .
C13' C31' C32' C52' 143.2(11) . .
C30' C31' C32' C33' -145.6(11) . .
C13' C31' C32' C33' -2.0(13) . .
C52' C32' C33' C34' -2.0(16) . .
C31' C32' C33' C34' 145.1(11) . .
C52' C32' C33' C14' -144.3(10) . .
C31' C32' C33' C14' 2.8(12) . .
C15' C14' C33' C34' -1.0(15) . .
C13' C14' C33' C34' -146.1(11) . .
C15' C14' C33' C32' 142.6(11) . .
C13' C14' C33' C32' -2.4(11) . .
C32' C33' C34' C54' 3.9(17) . .
C14' C33' C34' C54' 141.2(10) . .
C32' C33' C34' C35' -137.9(11) . .
C14' C33' C34' C35' -0.5(16) . .
C17' C16' C35' C36' 0.2(16) . .
C15' C16' C35' C36' -139.7(10) . .
C17' C16' C35' C34' 138.0(10) . .
C15' C16' C35' C34' -1.9(16) . .
C33' C34' C35' C16' 1.9(16) . .
C54' C34' C35' C16' -145.4(11) . .
C33' C34' C35' C36' 146.1(11) . .
C54' C34' C35' C36' -1.2(12) . .
C16' C35' C36' C55' 144.5(11) . .
C34' C35' C36' C55' 2.5(12) . .
C16' C35' C36' C37' -1.1(15) . .
C34' C35' C36' C37' -143.0(10) . .
C55' C36' C37' C38' -5.4(14) . .
C35' C36' C37' C38' 136.9(10) . .
C55' C36' C37' C18' -139.2(10) . .
C35' C36' C37' C18' 3.0(14) . .
C17' C18' C37' C36' -4.7(15) . .
C19' C18' C37' C36' 144.7(9) . .
C17' C18' C37' C38' -142.6(11) . .
C19' C18' C37' C38' 6.8(11) . .
C36' C37' C38' C57' 2.9(14) . .
C18' C37' C38' C57' 140.5(10) . .
C36' C37' C38' C39' -143.6(9) . .
C18' C37' C38' C39' -6.1(11) . .
C20' C19' C39' C40' -2.9(16) . .
C18' C19' C39' C40' -143.9(10) . .
C20' C19' C39' C38' 142.0(12) . .
C18' C19' C39' C38' 1.0(12) . .
C57' C38' C39' C19' -144.2(10) . .
C37' C38' C39' C19' 3.1(12) . .
C57' C38' C39' C40' -0.1(15) . .
C37' C38' C39' C40' 147.3(10) . .
C19' C39' C40' C41' -8.0(15) . .
C38' C39' C40' C41' -149.7(11) . .
C19' C39' C40' C69' 139.3(10) . .
C38' C39' C40' C69' -2.4(15) . .
C39' C40' C41' C21' 5.6(17) . .
C69' C40' C41' C21' -139.9(12) . .
C39' C40' C41' C42' 153.1(11) . .
C69' C40' C41' C42' 7.7(17) . .
C20' C21' C41' C40' 7.3(17) . .
C22' C21' C41' C40' 149.7(12) . .
C20' C21' C41' C42' -142.9(12) . .
C22' C21' C41' C42' -0.4(13) . .
C40' C41' C42' C43' -5.2(18) . .
C21' C41' C42' C43' 147.1(12) . .
C40' C41' C42' C23' -153.6(12) . .
C21' C41' C42' C23' -1.4(14) . .
C24' C23' C42' C43' -0.2(17) . .
C22' C23' C42' C43' -143.7(12) . .
C24' C23' C42' C41' 146.2(11) . .
C22' C23' C42' C41' 2.7(13) . .
C41' C42' C43' C70' 0.2(18) . .
C23' C42' C43' C70' 144.1(12) . .
C41' C42' C43' C44' -144.0(11) . .
C23' C42' C43' C44' -0.2(18) . .
C42' C43' C44' C62' 145.5(12) . .
C70' C43' C44' C62' -4.0(13) . .
C42' C43' C44' C45' 0.4(15) . .
C70' C43' C44' C45' -149.1(11) . .
C23' C24' C45' C44' -0.1(16) . .
C25' C24' C45' C44' 139.2(11) . .
C23' C24' C45' C46' -142.7(9) . .
C25' C24' C45' C46' -3.5(12) . .
C62' C44' C45' C24' -139.3(11) . .
C43' C44' C45' C24' -0.3(16) . .
C62' C44' C45' C46' 1.4(15) . .
C43' C44' C45' C46' 140.4(10) . .
C27' C26' C46' C47' 5.2(17) . .
C25' C26' C46' C47' -136.0(12) . .
C27' C26' C46' C45' 142.8(10) . .
C25' C26' C46' C45' 1.6(11) . .
C24' C45' C46' C47' 148.1(10) . .
C44' C45' C46' C47' -0.7(13) . .
C24' C45' C46' C26' 1.1(12) . .
C44' C45' C46' C26' -147.7(10) . .
C26' C46' C47' C63' 131.1(12) . .
C45' C46' C47' C63' -3.9(16) . .
C26' C46' C47' C48' -4.4(16) . .
C45' C46' C47' C48' -139.4(9) . .
C29' C28' C48' C49' 1.1(17) . .
C27' C28' C48' C49' -139.4(11) . .
C29' C28' C48' C47' 141.1(10) . .
C27' C28' C48' C47' 0.6(16) . .
C46' C47' C48' C28' 1.4(14) . .
C63' C47' C48' C28' -144.9(11) . .
C46' C47' C48' C49' 149.2(11) . .
C63' C47' C48' C49' 2.9(12) . .
C28' C48' C49' C50' -7.0(18) . .
C47' C48' C49' C50' -152.3(10) . .
C28' C48' C49' C64' 141.6(12) . .
C47' C48' C49' C64' -3.7(13) . .
C48' C49' C50' C30' 8.7(16) . .
C64' C49' C50' C30' -136.3(12) . .
C48' C49' C50' C51' 154.0(11) . .
C64' C49' C50' C51' 9.1(15) . .
C31' C30' C50' C49' 145.9(12) . .
C29' C30' C50' C49' -4.9(16) . .
C31' C30' C50' C51' 4.7(17) . .
C29' C30' C50' C51' -146.1(11) . .
C49' C50' C51' C52' -151.9(11) . .
C30' C50' C51' C52' -7.5(16) . .
C49' C50' C51' C66' -6.4(16) . .
C30' C50' C51' C66' 138.0(12) . .
C66' C51' C52' C32' -145.1(11) . .
C50' C51' C52' C32' 6.6(16) . .
C66' C51' C52' C53' -0.5(13) . .
C50' C51' C52' C53' 151.3(10) . .
C33' C32' C52' C51' 140.6(11) . .
C31' C32' C52' C51' -3.0(17) . .
C33' C32' C52' C53' -1.5(15) . .
C31' C32' C52' C53' -145.1(10) . .
C51' C52' C53' C54' -143.5(11) . .
C32' C52' C53' C54' 3.6(16) . .
C51' C52' C53' C67' -0.4(13) . .
C32' C52' C53' C67' 146.6(11) . .
C67' C53' C54' C34' -140.7(10) . .
C52' C53' C54' C34' -2.0(16) . .
C67' C53' C54' C55' -0.1(16) . .
C52' C53' C54' C55' 138.6(10) . .
C33' C34' C54' C53' -1.8(16) . .
C35' C34' C54' C53' 144.7(10) . .
C33' C34' C54' C55' -146.9(11) . .
C35' C34' C54' C55' -0.5(12) . .
C37' C36' C55' C56' 6.3(15) . .
C35' C36' C55' C56' -138.4(10) . .
C37' C36' C55' C54' 142.0(10) . .
C35' C36' C55' C54' -2.8(12) . .
C53' C54' C55' C56' -2.0(15) . .
C34' C54' C55' C56' 140.2(10) . .
C53' C54' C55' C36' -140.2(11) . .
C34' C54' C55' C36' 2.0(12) . .
C36' C55' C56' C68' 133.3(10) . .
C54' C55' C56' C68' 2.2(14) . .
C36' C55' C56' C57' -4.5(14) . .
C54' C55' C56' C57' -135.6(9) . .
C37' C38' C57' C58' -139.6(10) . .
C39' C38' C57' C58' 2.5(15) . .
C37' C38' C57' C56' -1.2(14) . .
C39' C38' C57' C56' 140.9(9) . .
C55' C56' C57' C38' 1.9(14) . .
C68' C56' C57' C38' -141.4(10) . .
C55' C56' C57' C58' 145.6(10) . .
C68' C56' C57' C58' 2.2(12) . .
C38' C57' C58' C69' -2.2(15) . .
C56' C57' C58' C69' -143.2(10) . .
C38' C57' C58' C59' 141.7(10) . .
C56' C57' C58' C59' 0.7(12) . .
C57' C58' C59' C60' -143.6(10) . .
C69' C58' C59' C60' -0.3(14) . .
C57' C58' C59' C68' -3.4(12) . .
C69' C58' C59' C68' 139.9(10) . .
C68' C59' C60' C61' -147.0(11) . .
C58' C59' C60' C61' -11.6(16) . .
C68' C59' C60' C65' 3.0(15) . .
C58' C59' C60' C65' 138.4(10) . .
C59' C60' C61' C62' 155.3(11) . .
C65' C60' C61' C62' 4.6(17) . .
C59' C60' C61' C70' 11.8(17) . .
C65' C60' C61' C70' -138.8(11) . .
C45' C44' C62' C63' 2.1(16) . .
C43' C44' C62' C63' -138.7(11) . .
C45' C44' C62' C61' 142.7(11) . .
C43' C44' C62' C61' 1.9(12) . .
C60' C61' C62' C63' -7.2(17) . .
C70' C61' C62' C63' 140.6(11) . .
C60' C61' C62' C44' -147.2(12) . .
C70' C61' C62' C44' 0.5(12) . .
C44' C62' C63' C47' -6.2(16) . .
C61' C62' C63' C47' -142.1(11) . .
C44' C62' C63' C64' 138.5(11) . .
C61' C62' C63' C64' 2.6(15) . .
C46' C47' C63' C62' 7.8(18) . .
C48' C47' C63' C62' 144.4(11) . .
C46' C47' C63' C64' -137.6(12) . .
C48' C47' C63' C64' -1.0(14) . .
C62' C63' C64' C65' 4.2(19) . .
C47' C63' C64' C65' 150.6(13) . .
C62' C63' C64' C49' -147.6(11) . .
C47' C63' C64' C49' -1.2(14) . .
C48' C49' C64' C63' 3.3(14) . .
C50' C49' C64' C63' 150.2(12) . .
C48' C49' C64' C65' -151.3(12) . .
C50' C49' C64' C65' -4.4(18) . .
C63' C64' C65' C66' -152.5(12) . .
C49' C64' C65' C66' -4.8(17) . .
C63' C64' C65' C60' -6.4(18) . .
C49' C64' C65' C60' 141.3(11) . .
C61' C60' C65' C66' 147.3(12) . .
C59' C60' C65' C66' -3.9(16) . .
C61' C60' C65' C64' 1.6(15) . .
C59' C60' C65' C64' -149.6(11) . .
C52' C51' C66' C65' 145.1(11) . .
C50' C51' C66' C65' -2.1(17) . .
C52' C51' C66' C67' 1.2(13) . .
C50' C51' C66' C67' -146.0(11) . .
C64' C65' C66' C51' 7.8(16) . .
C60' C65' C66' C51' -136.5(11) . .
C64' C65' C66' C67' 148.1(11) . .
C60' C65' C66' C67' 3.7(15) . .
C54' C53' C67' C68' 2.2(15) . .
C52' C53' C67' C68' -143.2(11) . .
C54' C53' C67' C66' 146.5(10) . .
C52' C53' C67' C66' 1.1(12) . .
C51' C66' C67' C68' 141.6(11) . .
C65' C66' C67' C68' -2.9(16) . .
C51' C66' C67' C53' -1.4(12) . .
C65' C66' C67' C53' -146.0(11) . .
C53' C67' C68' C56' -2.1(16) . .
C66' C67' C68' C56' -140.6(10) . .
C53' C67' C68' C59' 140.4(10) . .
C66' C67' C68' C59' 2.0(16) . .
C55' C56' C68' C67' -0.2(16) . .
C57' C56' C68' C67' 142.6(11) . .
C55' C56' C68' C59' -147.1(10) . .
C57' C56' C68' C59' -4.3(11) . .
C60' C59' C68' C67' -2.1(15) . .
C58' C59' C68' C67' -141.7(11) . .
C60' C59' C68' C56' 144.4(10) . .
C58' C59' C68' C56' 4.8(12) . .
C57' C58' C69' C70' 151.2(11) . .
C59' C58' C69' C70' 12.0(16) . .
C57' C58' C69' C40' -0.5(16) . .
C59' C58' C69' C40' -139.8(11) . .
C41' C40' C69' C70' -5.1(16) . .
C39' C40' C69' C70' -149.9(11) . .
C41' C40' C69' C58' 147.5(12) . .
C39' C40' C69' C58' 2.7(16) . .
C58' C69' C70' C43' -153.2(11) . .
C40' C69' C70' C43' 0.2(17) . .
C58' C69' C70' C61' -11.9(17) . .
C40' C69' C70' C61' 141.5(11) . .
C42' C43' C70' C69' 2.3(19) . .
C44' C43' C70' C69' 149.4(12) . .
C42' C43' C70' C61' -143.0(12) . .
C44' C43' C70' C61' 4.2(13) . .
C60' C61' C70' C69' 0.2(17) . .
C62' C61' C70' C69' -149.2(11) . .
C60' C61' C70' C43' 146.4(12) . .
C62' C61' C70' C43' -3.0(13) . .
