#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:32:38 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180084 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/30/7053022.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_7053022
loop_
_publ_author_name
'Raymont, Victoria'
'Wilson, Hannah'
'Pfrunder, Michael'
'McMurtrie, John C.'
'Mullen, Kathleen M.'
_publ_section_title
;
 New approaches to the synthesis of strapped porphyrin containing
 bipyridinium [2]rotaxanes
;
_journal_issue                   4
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              893
_journal_paper_doi               10.1039/c2nj40762k
_journal_volume                  37
_journal_year                    2013
_chemical_formula_moiety         'C82 H104 N4 O8 Zn'
_chemical_formula_sum            'C82 H104 N4 O8 Zn'
_chemical_formula_weight         1339.06
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                111.656(2)
_cell_angle_beta                 106.0051(16)
_cell_angle_gamma                94.5871(16)
_cell_formula_units_Z            4
_cell_length_a                   15.9841(3)
_cell_length_b                   20.5840(5)
_cell_length_c                   24.9501(5)
_cell_measurement_reflns_used    32207
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.7601
_cell_measurement_theta_min      3.1339
_cell_volume                     7180.5(3)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.13 (release 29-11-2007 CrysAlis171 .NET)
(compiled Nov 29 2007,17:23:28)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.13 (release 29-11-2007 CrysAlis171 .NET)
(compiled Nov 29 2007,17:23:28)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.13 (release 29-11-2007 CrysAlis171 .NET)
(compiled Nov 29 2007,17:23:28)
;
_computing_molecular_graphics
;ORTEPIII (Farrugia, 1997)
WINGX-32 (Farrugia, 1999)
;
_computing_publication_material  'enCIFer 1.0 (CCDC, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare, et. al. 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 16.0774
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.885
_diffrn_measurement_device_type  'Oxford Diffraction Gemini'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0588
_diffrn_reflns_av_sigmaI/netI    0.0910
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            101687
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.82
_diffrn_reflns_theta_min         3.14
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.401
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.96044
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.239
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2872
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.605
_refine_diff_density_min         -1.145
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1651
_refine_ls_number_reflns         33202
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.1189
_refine_ls_R_factor_gt           0.0657
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1098P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1715
_refine_ls_wR_factor_ref         0.1917
_reflns_number_gt                19837
_reflns_number_total             33202
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2nj40762k.txt
_cod_data_source_block           5
_cod_original_cell_volume        7180.6(2)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7053022
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3428(2) 0.27469(17) 0.30932(15) 0.0228(7) Uani 1 1 d . . .
C2 C 0.2867(2) 0.22977(18) 0.24933(14) 0.0217(7) Uani 1 1 d . . .
C3 C 0.2297(2) 0.16536(18) 0.23336(15) 0.0231(7) Uani 1 1 d . . .
C4 C 0.1774(2) 0.11314(19) 0.17142(15) 0.0252(7) Uani 1 1 d . . .
C5 C 0.1353(2) 0.05710(19) 0.17753(15) 0.0270(8) Uani 1 1 d . . .
C6 C 0.1583(2) 0.07494(17) 0.24194(15) 0.0231(7) Uani 1 1 d . . .
C7 C 0.1241(2) 0.03384(18) 0.26735(15) 0.0244(7) Uani 1 1 d . . .
H7 H 0.0909 -0.0125 0.2394 0.029 Uiso 1 1 calc R . .
C8 C 0.1319(2) 0.05140(17) 0.32790(15) 0.0222(7) Uani 1 1 d . . .
C9 C 0.0843(2) 0.00788(18) 0.34873(15) 0.0239(7) Uani 1 1 d . . .
C10 C 0.0962(2) 0.04756(18) 0.40849(15) 0.0233(7) Uani 1 1 d . . .
C11 C 0.1578(2) 0.11481(17) 0.42588(15) 0.0205(7) Uani 1 1 d . . .
C12 C 0.1951(2) 0.17012(17) 0.48494(14) 0.0214(7) Uani 1 1 d . . .
C13 C 0.2631(2) 0.22948(17) 0.50184(14) 0.0194(6) Uani 1 1 d . . .
C14 C 0.3115(2) 0.28247(17) 0.56432(14) 0.0225(7) Uani 1 1 d . . .
C15 C 0.3721(2) 0.32899(17) 0.55895(14) 0.0218(7) Uani 1 1 d . . .
C16 C 0.3602(2) 0.30517(17) 0.49481(15) 0.0223(7) Uani 1 1 d . . .
C17 C 0.4089(2) 0.33899(17) 0.47081(15) 0.0227(7) Uani 1 1 d . . .
H17 H 0.4548 0.3786 0.4998 0.027 Uiso 1 1 calc R . .
C18 C 0.3990(2) 0.32223(17) 0.40966(15) 0.0236(7) Uani 1 1 d . . .
C19 C 0.4501(2) 0.36307(17) 0.38865(15) 0.0239(7) Uani 1 1 d . . .
C20 C 0.4157(2) 0.33474(17) 0.32668(15) 0.0245(7) Uani 1 1 d . . .
C21 C 0.1597(2) 0.16778(19) 0.53383(15) 0.0264(7) Uani 1 1 d . . .
C22 C 0.0943(2) 0.2050(2) 0.54589(16) 0.0319(8) Uani 1 1 d . . .
H22 H 0.0690 0.2288 0.5211 0.038 Uiso 1 1 calc R . .
C23 C 0.0647(3) 0.2080(2) 0.59461(19) 0.0464(11) Uani 1 1 d . . .
H23 H 0.0198 0.2335 0.6034 0.056 Uiso 1 1 calc R . .
C24 C 0.1032(3) 0.1722(2) 0.62969(18) 0.0477(12) Uani 1 1 d . . .
H24 H 0.0850 0.1747 0.6634 0.057 Uiso 1 1 calc R . .
C25 C 0.1662(3) 0.1338(2) 0.61724(18) 0.0457(11) Uani 1 1 d . . .
H25 H 0.1903 0.1093 0.6417 0.055 Uiso 1 1 calc R . .
C26 C 0.1950(3) 0.1304(2) 0.56946(16) 0.0365(9) Uani 1 1 d . . .
C27 C 0.2942(3) 0.0491(3) 0.5831(2) 0.0544(12) Uani 1 1 d . . .
H27A H 0.3056 0.0734 0.6276 0.065 Uiso 1 1 calc R . .
H27B H 0.3517 0.0410 0.5768 0.065 Uiso 1 1 calc R . .
C28 C 0.2335(4) -0.0199(3) 0.5588(2) 0.0612(13) Uani 1 1 d . . .
H28A H 0.1726 -0.0124 0.5573 0.073 Uiso 1 1 calc R . .
H28B H 0.2321 -0.0491 0.5168 0.073 Uiso 1 1 calc R . .
C29 C 0.2889(3) -0.1208(2) 0.5696(2) 0.0478(11) Uani 1 1 d . . .
H29A H 0.2478 -0.1475 0.5273 0.057 Uiso 1 1 calc R . .
H29B H 0.2856 -0.1504 0.5928 0.057 Uiso 1 1 calc R . .
C30 C 0.3809(3) -0.1063(2) 0.5691(2) 0.0507(11) Uani 1 1 d . . .
H30A H 0.4218 -0.0758 0.6107 0.061 Uiso 1 1 calc R . .
H30B H 0.3835 -0.0819 0.5418 0.061 Uiso 1 1 calc R . .
C31 C 0.4952(3) -0.1687(2) 0.54666(19) 0.0418(10) Uani 1 1 d . . .
H31A H 0.5241 -0.2024 0.5616 0.050 Uiso 1 1 calc R . .
H31B H 0.5273 -0.1197 0.5758 0.050 Uiso 1 1 calc R . .
C32 C 0.5040(3) -0.1815(2) 0.48553(18) 0.0364(9) Uani 1 1 d . . .
H32A H 0.5673 -0.1787 0.4883 0.044 Uiso 1 1 calc R . .
H32B H 0.4705 -0.2298 0.4554 0.044 Uiso 1 1 calc R . .
C33 C 0.4750(2) -0.13154(18) 0.41135(16) 0.0273(8) Uani 1 1 d . . .
C34 C 0.5165(3) -0.1776(2) 0.37725(18) 0.0364(9) Uani 1 1 d . . .
H34 H 0.5442 -0.2101 0.3913 0.044 Uiso 1 1 calc R . .
C35 C 0.5180(3) -0.1765(2) 0.32190(18) 0.0395(9) Uani 1 1 d . . .
H35 H 0.5467 -0.2088 0.2985 0.047 Uiso 1 1 calc R . .
C36 C 0.4793(2) -0.1303(2) 0.30050(17) 0.0336(8) Uani 1 1 d . . .
H36 H 0.4824 -0.1297 0.2632 0.040 Uiso 1 1 calc R . .
C37 C 0.4345(2) -0.08315(18) 0.33401(15) 0.0259(7) Uani 1 1 d . . .
C38 C 0.4316(2) -0.08295(18) 0.39045(16) 0.0261(7) Uani 1 1 d . . .
C39 C 0.3856(2) -0.0361(2) 0.42362(18) 0.0323(8) Uani 1 1 d . . .
H39 H 0.3851 -0.0346 0.4621 0.039 Uiso 1 1 calc R . .
C40 C 0.3423(2) 0.0064(2) 0.40006(18) 0.0351(9) Uani 1 1 d . . .
H40 H 0.3102 0.0365 0.4220 0.042 Uiso 1 1 calc R . .
C41 C 0.3435(2) 0.0072(2) 0.34404(17) 0.0324(8) Uani 1 1 d . . .
H41 H 0.3123 0.0372 0.3284 0.039 Uiso 1 1 calc R . .
C42 C 0.3904(2) -0.03600(19) 0.31235(16) 0.0273(8) Uani 1 1 d . . .
C43 C 0.3673(2) 0.0125(2) 0.23562(17) 0.0338(8) Uani 1 1 d . . .
H43A H 0.3073 0.0167 0.2386 0.041 Uiso 1 1 calc R . .
H43B H 0.3617 -0.0051 0.1919 0.041 Uiso 1 1 calc R . .
C44 C 0.4268(2) 0.0849(2) 0.26907(17) 0.0328(8) Uani 1 1 d . . .
H44A H 0.4012 0.1185 0.2524 0.039 Uiso 1 1 calc R . .
H44B H 0.4331 0.1036 0.3130 0.039 Uiso 1 1 calc R . .
C45 C 0.5766(2) 0.1431(2) 0.29490(17) 0.0351(9) Uani 1 1 d . . .
H45A H 0.6360 0.1315 0.2973 0.042 Uiso 1 1 calc R . .
H45B H 0.5748 0.1645 0.3371 0.042 Uiso 1 1 calc R . .
C46 C 0.5654(2) 0.1977(2) 0.26825(16) 0.0300(8) Uani 1 1 d . . .
H46A H 0.5043 0.2066 0.2625 0.036 Uiso 1 1 calc R . .
H46B H 0.6072 0.2430 0.2975 0.036 Uiso 1 1 calc R . .
C47 C 0.5076(2) 0.13246(17) 0.15735(14) 0.0222(7) Uani 1 1 d . . .
H47A H 0.4741 0.0978 0.1667 0.027 Uiso 1 1 calc R . .
H47B H 0.5304 0.1050 0.1245 0.027 Uiso 1 1 calc R . .
C48 C 0.4454(2) 0.17463(18) 0.13467(14) 0.0233(7) Uani 1 1 d . . .
H48A H 0.4797 0.2188 0.1376 0.028 Uiso 1 1 calc R . .
H48B H 0.4093 0.1461 0.0913 0.028 Uiso 1 1 calc R . .
C49 C 0.3337(2) 0.23850(18) 0.16217(15) 0.0232(7) Uani 1 1 d . . .
C50 C 0.3280(2) 0.2655(2) 0.11832(16) 0.0315(8) Uani 1 1 d . . .
H50 H 0.3633 0.2528 0.0925 0.038 Uiso 1 1 calc R . .
C51 C 0.2704(3) 0.3110(2) 0.11248(19) 0.0428(10) Uani 1 1 d . . .
H51 H 0.2663 0.3296 0.0824 0.051 Uiso 1 1 calc R . .
C52 C 0.2186(3) 0.3297(3) 0.1498(2) 0.0508(12) Uani 1 1 d . . .
H52 H 0.1788 0.3607 0.1455 0.061 Uiso 1 1 calc R . .
C53 C 0.2256(3) 0.3024(2) 0.19371(18) 0.0387(9) Uani 1 1 d . . .
H53 H 0.1904 0.3155 0.2196 0.046 Uiso 1 1 calc R . .
C54 C 0.2824(2) 0.25666(18) 0.20075(15) 0.0240(7) Uani 1 1 d . . .
C55 C 0.4503(3) 0.3611(2) 0.28636(17) 0.0355(9) Uani 1 1 d . . .
H55A H 0.5030 0.3993 0.3115 0.053 Uiso 1 1 calc R . .
H55B H 0.4042 0.3795 0.2645 0.053 Uiso 1 1 calc R . .
H55C H 0.4661 0.3216 0.2568 0.053 Uiso 1 1 calc R . .
C56 C 0.1703(3) 0.1162(2) 0.11117(16) 0.0369(9) Uani 1 1 d . . .
H56A H 0.1274 0.0743 0.0781 0.055 Uiso 1 1 calc R . .
H56B H 0.2286 0.1164 0.1055 0.055 Uiso 1 1 calc R . .
H56C H 0.1502 0.1597 0.1105 0.055 Uiso 1 1 calc R . .
C57 C 0.0525(2) 0.0240(2) 0.44627(17) 0.0328(8) Uani 1 1 d . . .
H57A H 0.0080 -0.0201 0.4198 0.049 Uiso 1 1 calc R . .
H57B H 0.0235 0.0613 0.4665 0.049 Uiso 1 1 calc R . .
H57C H 0.0975 0.0152 0.4771 0.049 Uiso 1 1 calc R . .
C58 C 0.3054(2) 0.2868(2) 0.62482(15) 0.0291(8) Uani 1 1 d . . .
H58A H 0.3456 0.3302 0.6578 0.044 Uiso 1 1 calc R . .
H58B H 0.3225 0.2448 0.6312 0.044 Uiso 1 1 calc R . .
H58C H 0.2443 0.2883 0.6248 0.044 Uiso 1 1 calc R . .
C59 C 0.5282(2) 0.42280(19) 0.43039(16) 0.0296(8) Uani 1 1 d . . .
H59A H 0.5138 0.4524 0.4668 0.036 Uiso 1 1 calc R . .
H59B H 0.5381 0.4534 0.4091 0.036 Uiso 1 1 calc R . .
C60 C 0.6146(2) 0.3982(2) 0.4515(2) 0.0429(10) Uani 1 1 d . . .
H60A H 0.6403 0.3830 0.4181 0.051 Uiso 1 1 calc R . .
H60B H 0.6013 0.3565 0.4608 0.051 Uiso 1 1 calc R . .
C61 C 0.6833(3) 0.4579(2) 0.5086(2) 0.0558(13) Uani 1 1 d . . .
H61A H 0.7424 0.4450 0.5133 0.067 Uiso 1 1 calc R . .
H61B H 0.6865 0.5025 0.5021 0.067 Uiso 1 1 calc R . .
C62 C 0.6637(3) 0.4720(2) 0.56669(19) 0.0607(13) Uani 1 1 d D . .
H62A H 0.6639 0.4276 0.5736 0.073 Uiso 1 1 calc R . .
H62B H 0.6023 0.4806 0.5600 0.073 Uiso 1 1 calc R . .
C63 C 0.7241(3) 0.5336(2) 0.6262(2) 0.0729(16) Uani 1 1 d D . .
H63A H 0.7300 0.5784 0.6200 0.087 Uiso 1 1 calc R . .
H63B H 0.6979 0.5409 0.6591 0.087 Uiso 1 1 calc R . .
C64 C 0.8159(3) 0.5148(3) 0.6444(3) 0.107(2) Uani 1 1 d D . .
H64A H 0.8554 0.5541 0.6818 0.160 Uiso 1 1 calc R . .
H64B H 0.8412 0.5071 0.6114 0.160 Uiso 1 1 calc R . .
H64C H 0.8097 0.4712 0.6515 0.160 Uiso 1 1 calc R . .
C65 C 0.0776(2) -0.0117(2) 0.12792(16) 0.0351(9) Uani 1 1 d . . .
H65A H 0.0549 -0.0050 0.0896 0.042 Uiso 1 1 calc R . .
H65B H 0.0259 -0.0245 0.1392 0.042 Uiso 1 1 calc R . .
C66 C 0.1285(3) -0.0732(3) 0.1171(2) 0.0644(14) Uiso 1 1 d . . .
H66A H 0.1487 -0.0808 0.1552 0.077 Uiso 1 1 calc R . .
H66B H 0.1822 -0.0586 0.1085 0.077 Uiso 1 1 calc R . .
C67 C 0.0746(4) -0.1451(3) 0.0642(3) 0.0731(15) Uiso 1 1 d . . .
H67A H 0.0991 -0.1850 0.0712 0.088 Uiso 1 1 calc R . .
H67B H 0.0119 -0.1513 0.0628 0.088 Uiso 1 1 calc R . .
C68 C 0.0789(6) -0.1460(5) 0.0074(4) 0.1262(11) Uiso 1 1 d . . .
H68A H 0.1421 -0.1372 0.0100 0.151 Uiso 1 1 calc R . .
H68B H 0.0526 -0.1068 0.0002 0.151 Uiso 1 1 calc R . .
C69 C 0.0286(6) -0.2192(5) -0.0487(4) 0.1262(11) Uiso 1 1 d . . .
H69A H 0.0516 -0.2597 -0.0419 0.151 Uiso 1 1 calc R . .
H69B H -0.0360 -0.2268 -0.0553 0.151 Uiso 1 1 calc R . .
C70 C 0.0461(6) -0.2125(5) -0.1008(4) 0.1262(11) Uiso 1 1 d . . .
H70A H 0.0166 -0.2564 -0.1376 0.189 Uiso 1 1 calc R . .
H70B H 0.1104 -0.2047 -0.0934 0.189 Uiso 1 1 calc R . .
H70C H 0.0232 -0.1720 -0.1067 0.189 Uiso 1 1 calc R . .
C71 C 0.0349(2) -0.06769(18) 0.30990(17) 0.0287(8) Uani 1 1 d . . .
H71A H 0.0015 -0.0712 0.2688 0.034 Uiso 1 1 calc R . .
H71B H -0.0089 -0.0795 0.3279 0.034 Uiso 1 1 calc R . .
C72 C 0.0943(3) -0.1230(2) 0.30308(19) 0.0384(9) Uani 1 1 d . C .
H72A H 0.0575 -0.1702 0.2731 0.046 Uiso 1 1 calc R . .
H72B H 0.1396 -0.1102 0.2865 0.046 Uiso 1 1 calc R . .
C73 C 0.1411(3) -0.1290(2) 0.36203(19) 0.0455(10) Uiso 1 1 d . . .
H73A H 0.1808 -0.0829 0.3918 0.055 Uiso 1 1 calc R A 1
H73B H 0.0967 -0.1408 0.3797 0.055 Uiso 1 1 calc R A 1
C77 C 0.4390(2) 0.39212(18) 0.60973(15) 0.0275(8) Uani 1 1 d . . .
H77A H 0.4137 0.4128 0.6428 0.033 Uiso 1 1 calc R . .
H77B H 0.4492 0.4289 0.5942 0.033 Uiso 1 1 calc R . .
C78 C 0.5283(3) 0.3756(2) 0.6366(2) 0.0440(10) Uani 1 1 d . . .
H78A H 0.5176 0.3354 0.6482 0.053 Uiso 1 1 calc R . .
H78B H 0.5565 0.3597 0.6045 0.053 Uiso 1 1 calc R . .
C79 C 0.5918(3) 0.4366(3) 0.6910(2) 0.0652(14) Uiso 1 1 d D . .
H79A H 0.6000 0.4765 0.6786 0.078 Uiso 1 1 calc R . .
H79B H 0.6497 0.4219 0.6999 0.078 Uiso 1 1 calc R . .
C80 C 0.5725(5) 0.4671(2) 0.7516(2) 0.1262(11) Uiso 1 1 d D . .
H80A H 0.5231 0.4930 0.7473 0.151 Uiso 1 1 calc R . .
H80B H 0.6258 0.5011 0.7842 0.151 Uiso 1 1 calc R . .
C81 C 0.5472(4) 0.4054(4) 0.7685(3) 0.1262(11) Uiso 1 1 d D . .
H81A H 0.5219 0.4224 0.8021 0.151 Uiso 1 1 calc R . .
H81B H 0.5018 0.3667 0.7328 0.151 Uiso 1 1 calc R . .
C82 C 0.6311(5) 0.3770(4) 0.7888(4) 0.1262(11) Uiso 1 1 d D . .
H82A H 0.6189 0.3449 0.8078 0.189 Uiso 1 1 calc R . .
H82B H 0.6797 0.4171 0.8183 0.189 Uiso 1 1 calc R . .
H82C H 0.6482 0.3508 0.7531 0.189 Uiso 1 1 calc R . .
C83 C 0.82128(19) 0.20946(17) 0.32059(14) 0.0187(6) Uani 1 1 d . . .
C84 C 0.82344(19) 0.28097(17) 0.35744(14) 0.0185(6) Uani 1 1 d . . .
C85 C 0.7884(2) 0.33050(17) 0.33585(14) 0.0201(7) Uani 1 1 d . . .
C86 C 0.7984(2) 0.40684(18) 0.37197(15) 0.0242(7) Uani 1 1 d . . .
C87 C 0.7459(2) 0.43280(18) 0.33463(15) 0.0252(7) Uani 1 1 d . . .
C88 C 0.7068(2) 0.37452(17) 0.27548(15) 0.0212(7) Uani 1 1 d . . .
C89 C 0.6485(2) 0.37882(17) 0.22453(15) 0.0221(7) Uani 1 1 d . . .
H89 H 0.6277 0.4222 0.2318 0.027 Uiso 1 1 calc R . .
C90 C 0.6165(2) 0.32837(17) 0.16443(14) 0.0208(7) Uani 1 1 d . . .
C91 C 0.5524(2) 0.33640(18) 0.11450(15) 0.0228(7) Uani 1 1 d . . .
C92 C 0.5379(2) 0.27514(18) 0.06365(15) 0.0219(7) Uani 1 1 d . . .
C93 C 0.59605(19) 0.23045(16) 0.08178(14) 0.0183(6) Uani 1 1 d . . .
C94 C 0.6092(2) 0.16440(17) 0.04383(14) 0.0195(7) Uani 1 1 d . . .
C95 C 0.6675(2) 0.12399(17) 0.06375(14) 0.0198(7) Uani 1 1 d . . .
C96 C 0.6951(2) 0.06176(18) 0.02504(15) 0.0240(7) Uani 1 1 d . . .
C97 C 0.7489(2) 0.03851(18) 0.06401(14) 0.0226(7) Uani 1 1 d . . .
C98 C 0.7539(2) 0.08434(17) 0.12496(14) 0.0215(7) Uani 1 1 d . . .
C99 C 0.7953(2) 0.07327(18) 0.17672(15) 0.0239(7) Uani 1 1 d . . .
H99 H 0.8189 0.0311 0.1697 0.029 Uiso 1 1 calc R . .
C100 C 0.8068(2) 0.11546(17) 0.23708(14) 0.0206(7) Uani 1 1 d . . .
C101 C 0.8448(2) 0.09653(17) 0.28747(14) 0.0209(7) Uani 1 1 d . . .
C102 C 0.8566(2) 0.15476(17) 0.33980(14) 0.0205(7) Uani 1 1 d . . .
C103 C 0.8619(2) 0.30509(17) 0.42499(14) 0.0222(7) Uani 1 1 d . . .
C104 C 0.8065(2) 0.30561(19) 0.45947(16) 0.0293(8) Uani 1 1 d . . .
H104 H 0.7441 0.2904 0.4394 0.035 Uiso 1 1 calc R . .
C105 C 0.8398(3) 0.3276(2) 0.52190(17) 0.0382(9) Uani 1 1 d . . .
H105 H 0.8006 0.3276 0.5445 0.046 Uiso 1 1 calc R . .
C106 C 0.9301(3) 0.3494(2) 0.55137(17) 0.0418(10) Uani 1 1 d . . .
H106 H 0.9533 0.3646 0.5944 0.050 Uiso 1 1 calc R . .
C107 C 0.9876(3) 0.3494(2) 0.51870(16) 0.0335(9) Uani 1 1 d . . .
H107 H 1.0498 0.3650 0.5394 0.040 Uiso 1 1 calc R . .
C108 C 0.9543(2) 0.32672(17) 0.45588(14) 0.0240(7) Uani 1 1 d . . .
C109 C 1.1001(2) 0.33554(19) 0.44674(16) 0.0294(8) Uani 1 1 d . . .
H10A H 1.1143 0.3008 0.4650 0.035 Uiso 1 1 calc R . .
H10B H 1.1238 0.3843 0.4794 0.035 Uiso 1 1 calc R . .
C110 C 1.1412(2) 0.32529(18) 0.39750(16) 0.0287(8) Uani 1 1 d . . .
H11A H 1.1131 0.3502 0.3722 0.034 Uiso 1 1 calc R . .
H11B H 1.2052 0.3478 0.4169 0.034 Uiso 1 1 calc R . .
C111 C 1.0477(2) 0.21775(19) 0.31020(15) 0.0259(7) Uani 1 1 d . . .
H11C H 0.9990 0.2327 0.3262 0.031 Uiso 1 1 calc R . .
H11D H 1.0406 0.1654 0.2971 0.031 Uiso 1 1 calc R . .
C112 C 1.0398(2) 0.2352(2) 0.25539(16) 0.0332(8) Uani 1 1 d . . .
H11E H 1.0921 0.2247 0.2422 0.040 Uiso 1 1 calc R . .
H11F H 0.9863 0.2034 0.2214 0.040 Uiso 1 1 calc R . .
C113 C 0.9465(2) 0.3192(2) 0.26215(18) 0.0330(8) Uani 1 1 d . . .
H11G H 0.9237 0.2998 0.2874 0.040 Uiso 1 1 calc R . .
H11H H 0.9065 0.2944 0.2193 0.040 Uiso 1 1 calc R . .
C114 C 0.9481(3) 0.3971(2) 0.28410(18) 0.0363(9) Uani 1 1 d . . .
H11I H 0.8872 0.4049 0.2822 0.044 Uiso 1 1 calc R . .
H11J H 0.9865 0.4210 0.3274 0.044 Uiso 1 1 calc R . .
C115 C 0.9300(2) 0.4117(2) 0.19006(17) 0.0324(8) Uani 1 1 d . . .
C116 C 0.8424(2) 0.3785(2) 0.16361(18) 0.0354(9) Uani 1 1 d . . .
H116 H 0.8113 0.3661 0.1870 0.042 Uiso 1 1 calc R . .
C117 C 0.7983(3) 0.3627(2) 0.10169(19) 0.0432(10) Uani 1 1 d . . .
H117 H 0.7373 0.3400 0.0838 0.052 Uiso 1 1 calc R . .
C118 C 0.8412(3) 0.3792(2) 0.06708(19) 0.0431(10) Uani 1 1 d . . .
H118 H 0.8099 0.3684 0.0255 0.052 Uiso 1 1 calc R . .
C119 C 0.9327(2) 0.4125(2) 0.09272(18) 0.0366(9) Uani 1 1 d . . .
C120 C 0.9778(2) 0.4311(2) 0.15570(17) 0.0320(8) Uani 1 1 d . . .
C121 C 1.0691(3) 0.4650(2) 0.1819(2) 0.0399(9) Uani 1 1 d . . .
H121 H 1.0991 0.4788 0.2242 0.048 Uiso 1 1 calc R . .
C122 C 1.1132(3) 0.4775(2) 0.1461(2) 0.0470(11) Uani 1 1 d . . .
H122 H 1.1740 0.5009 0.1640 0.056 Uiso 1 1 calc R . .
C123 C 1.0710(3) 0.4565(2) 0.0834(2) 0.0455(10) Uani 1 1 d . . .
H123 H 1.1039 0.4638 0.0589 0.055 Uiso 1 1 calc R . .
C124 C 0.9828(3) 0.4255(2) 0.0574(2) 0.0433(10) Uani 1 1 d . . .
C125 C 0.9825(3) 0.3961(3) -0.0448(2) 0.0541(12) Uani 1 1 d . . .
H12A H 1.0232 0.3630 -0.0410 0.065 Uiso 1 1 calc R . .
H12B H 1.0184 0.4426 -0.0359 0.065 Uiso 1 1 calc R . .
C126 C 0.9171(4) 0.3666(3) -0.1075(2) 0.0588(13) Uani 1 1 d . . .
H12C H 0.8716 0.3963 -0.1096 0.071 Uiso 1 1 calc R . .
H12D H 0.9475 0.3670 -0.1370 0.071 Uiso 1 1 calc R . .
C127 C 0.8162(4) 0.2675(3) -0.1823(3) 0.094(2) Uani 1 1 d D . .
H12E H 0.8488 0.2533 -0.2119 0.113 Uiso 1 1 calc R . .
H12F H 0.7824 0.3034 -0.1896 0.113 Uiso 1 1 calc R . .
C128 C 0.7536(5) 0.2035(4) -0.1908(3) 0.124(3) Uani 1 1 d D B .
H12G H 0.7235 0.1740 -0.2349 0.149 Uiso 1 1 calc R . .
H12H H 0.7872 0.1740 -0.1727 0.149 Uiso 1 1 calc R . .
C131 C 0.5794(2) 0.15494(19) -0.06385(15) 0.0285(8) Uani 1 1 d . B .
C132 C 0.5348(3) 0.1194(2) -0.12641(17) 0.0401(10) Uani 1 1 d . . .
H132 H 0.5523 0.1347 -0.1540 0.048 Uiso 1 1 calc R . .
C133 C 0.4657(3) 0.0624(2) -0.14838(17) 0.0420(10) Uani 1 1 d . . .
H133 H 0.4360 0.0379 -0.1911 0.050 Uiso 1 1 calc R . .
C134 C 0.4391(2) 0.0406(2) -0.10798(18) 0.0399(10) Uani 1 1 d . . .
H134 H 0.3897 0.0024 -0.1228 0.048 Uiso 1 1 calc R . .
C135 C 0.4855(2) 0.07516(19) -0.04597(16) 0.0288(8) Uani 1 1 d . . .
H135 H 0.4681 0.0594 -0.0186 0.035 Uiso 1 1 calc R . .
C136 C 0.5564(2) 0.13197(18) -0.02286(14) 0.0229(7) Uani 1 1 d . . .
C137 C 0.9039(3) 0.15916(19) 0.40236(15) 0.0338(9) Uani 1 1 d . . .
H13C H 0.9029 0.1109 0.4009 0.051 Uiso 1 1 calc R . .
H13D H 0.8740 0.1850 0.4307 0.051 Uiso 1 1 calc R . .
H13E H 0.9656 0.1845 0.4163 0.051 Uiso 1 1 calc R . .
C138 C 0.8616(3) 0.45275(18) 0.43525(15) 0.0330(8) Uani 1 1 d . . .
H13F H 0.8545 0.5024 0.4462 0.049 Uiso 1 1 calc R . .
H13G H 0.9228 0.4499 0.4361 0.049 Uiso 1 1 calc R . .
H13H H 0.8485 0.4358 0.4645 0.049 Uiso 1 1 calc R . .
C139 C 0.4712(2) 0.25973(19) 0.00190(16) 0.0299(8) Uani 1 1 d . . .
H13I H 0.4333 0.2952 0.0063 0.045 Uiso 1 1 calc R . .
H13J H 0.4343 0.2119 -0.0145 0.045 Uiso 1 1 calc R . .
H13K H 0.5027 0.2621 -0.0261 0.045 Uiso 1 1 calc R . .
C140 C 0.6771(2) 0.0314(2) -0.04276(15) 0.0329(8) Uani 1 1 d . . .
H14A H 0.7152 -0.0029 -0.0534 0.049 Uiso 1 1 calc R . .
H14B H 0.6897 0.0701 -0.0551 0.049 Uiso 1 1 calc R . .
H14C H 0.6146 0.0072 -0.0639 0.049 Uiso 1 1 calc R . .
C141 C 0.8606(2) 0.02289(17) 0.27860(15) 0.0250(7) Uani 1 1 d . . .
H14D H 0.8982 0.0240 0.3179 0.030 Uiso 1 1 calc R . .
H14E H 0.8932 0.0074 0.2490 0.030 Uiso 1 1 calc R . .
C142 C 0.7736(2) -0.03089(18) 0.25522(16) 0.0289(8) Uani 1 1 d . . .
H14F H 0.7462 -0.0194 0.2878 0.035 Uiso 1 1 calc R . .
H14G H 0.7324 -0.0256 0.2200 0.035 Uiso 1 1 calc R . .
C143 C 0.7841(2) -0.10818(18) 0.23563(16) 0.0286(8) Uani 1 1 d . . .
H14H H 0.8255 -0.1135 0.2708 0.034 Uiso 1 1 calc R . .
H14I H 0.8112 -0.1198 0.2029 0.034 Uiso 1 1 calc R . .
C144 C 0.6969(3) -0.1615(2) 0.21262(19) 0.0408(10) Uani 1 1 d . . .
H14J H 0.6679 -0.1478 0.2443 0.049 Uiso 1 1 calc R . .
H14K H 0.6571 -0.1583 0.1759 0.049 Uiso 1 1 calc R . .
C145 C 0.7072(3) -0.2387(2) 0.1967(2) 0.0478(11) Uani 1 1 d . . .
H14L H 0.7367 -0.2526 0.1653 0.057 Uiso 1 1 calc R . .
H14M H 0.7461 -0.2424 0.2336 0.057 Uiso 1 1 calc R . .
C146 C 0.6192(4) -0.2901(3) 0.1732(3) 0.0803(18) Uani 1 1 d . . .
H14N H 0.6294 -0.3388 0.1635 0.120 Uiso 1 1 calc R . .
H14O H 0.5807 -0.2873 0.1363 0.120 Uiso 1 1 calc R . .
H14P H 0.5904 -0.2774 0.2046 0.120 Uiso 1 1 calc R . .
C147 C 0.7359(3) 0.50915(19) 0.35070(17) 0.0376(9) Uani 1 1 d . . .
H14Q H 0.7367 0.5304 0.3935 0.045 Uiso 1 1 calc R . .
H14R H 0.6774 0.5099 0.3243 0.045 Uiso 1 1 calc R . .
C148 C 0.8087(3) 0.5555(2) 0.34354(18) 0.0447(11) Uani 1 1 d . . .
H14S H 0.8128 0.6062 0.3696 0.054 Uiso 1 1 calc R . .
H14T H 0.8664 0.5429 0.3586 0.054 Uiso 1 1 calc R . .
C149 C 0.7933(3) 0.5477(2) 0.27813(18) 0.0440(10) Uani 1 1 d . . .
H14U H 0.7872 0.4968 0.2517 0.053 Uiso 1 1 calc R . .
H14V H 0.7366 0.5619 0.2635 0.053 Uiso 1 1 calc R . .
C150 C 0.8665(3) 0.5916(2) 0.2713(2) 0.0562(13) Uani 1 1 d . . .
H15A H 0.9222 0.5744 0.2822 0.067 Uiso 1 1 calc R . .
H15B H 0.8762 0.6419 0.3002 0.067 Uiso 1 1 calc R . .
C151 C 0.8459(4) 0.5880(3) 0.2064(3) 0.0691(15) Uani 1 1 d . . .
H15C H 0.8369 0.5377 0.1775 0.083 Uiso 1 1 calc R . .
H15D H 0.7898 0.6046 0.1952 0.083 Uiso 1 1 calc R . .
C152 C 0.9182(5) 0.6324(4) 0.1997(4) 0.118(3) Uani 1 1 d . . .
H15E H 0.9018 0.6280 0.1575 0.176 Uiso 1 1 calc R . .
H15F H 0.9737 0.6157 0.2100 0.176 Uiso 1 1 calc R . .
H15G H 0.9263 0.6825 0.2274 0.176 Uiso 1 1 calc R . .
C153 C 0.5146(2) 0.40221(19) 0.12039(17) 0.0309(8) Uani 1 1 d . . .
H15H H 0.5052 0.4222 0.1605 0.037 Uiso 1 1 calc R . .
H15I H 0.4559 0.3887 0.0882 0.037 Uiso 1 1 calc R . .
C154 C 0.5741(3) 0.4598(2) 0.11504(18) 0.0403(10) Uani 1 1 d . . .
H15J H 0.5507 0.5043 0.1265 0.048 Uiso 1 1 calc R . .
H15K H 0.6345 0.4698 0.1446 0.048 Uiso 1 1 calc R . .
C155 C 0.5810(3) 0.4400(2) 0.05167(18) 0.0405(10) Uani 1 1 d . . .
H15L H 0.5208 0.4310 0.0222 0.049 Uiso 1 1 calc R . .
H15M H 0.6035 0.3952 0.0398 0.049 Uiso 1 1 calc R . .
C156 C 0.6422(3) 0.4978(2) 0.0475(2) 0.0575(13) Uani 1 1 d . . .
H15N H 0.6199 0.5428 0.0601 0.069 Uiso 1 1 calc R . .
H15O H 0.7023 0.5064 0.0768 0.069 Uiso 1 1 calc R . .
C157 C 0.6497(4) 0.4802(3) -0.0152(3) 0.0673(15) Uani 1 1 d . . .
H15P H 0.5898 0.4720 -0.0446 0.081 Uiso 1 1 calc R . .
H15Q H 0.6720 0.4353 -0.0279 0.081 Uiso 1 1 calc R . .
C158 C 0.7112(5) 0.5387(4) -0.0176(4) 0.114(3) Uani 1 1 d . . .
H15R H 0.7143 0.5239 -0.0590 0.170 Uiso 1 1 calc R . .
H15S H 0.7708 0.5470 0.0113 0.170 Uiso 1 1 calc R . .
H15T H 0.6882 0.5828 -0.0068 0.170 Uiso 1 1 calc R . .
C159 C 0.7992(2) -0.02131(19) 0.05048(15) 0.0284(8) Uani 1 1 d . . .
H15U H 0.8597 -0.0043 0.0810 0.034 Uiso 1 1 calc R . .
H15V H 0.8056 -0.0323 0.0099 0.034 Uiso 1 1 calc R . .
C160 C 0.7571(2) -0.08964(19) 0.05086(17) 0.0320(8) Uani 1 1 d . . .
H16A H 0.7045 -0.1142 0.0136 0.038 Uiso 1 1 calc R . .
H16B H 0.7365 -0.0778 0.0867 0.038 Uiso 1 1 calc R . .
C161 C 0.8226(3) -0.1402(2) 0.05345(19) 0.0386(9) Uani 1 1 d . . .
H16C H 0.8400 -0.1539 0.0163 0.046 Uiso 1 1 calc R . .
H16D H 0.8768 -0.1139 0.0891 0.046 Uiso 1 1 calc R . .
C162 C 0.7867(3) -0.2072(2) 0.05816(19) 0.0394(9) Uani 1 1 d . . .
H16E H 0.7368 -0.2365 0.0203 0.047 Uiso 1 1 calc R . .
H16F H 0.7630 -0.1939 0.0926 0.047 Uiso 1 1 calc R . .
C163 C 0.8564(3) -0.2523(2) 0.0678(2) 0.0494(11) Uani 1 1 d . . .
H16G H 0.8867 -0.2594 0.0370 0.059 Uiso 1 1 calc R . .
H16H H 0.8261 -0.2998 0.0612 0.059 Uiso 1 1 calc R . .
C164 C 0.9269(3) -0.2181(3) 0.1322(2) 0.0566(12) Uani 1 1 d . . .
H16I H 0.9700 -0.2489 0.1355 0.085 Uiso 1 1 calc R . .
H16J H 0.8977 -0.2125 0.1630 0.085 Uiso 1 1 calc R . .
H16K H 0.9578 -0.1712 0.1390 0.085 Uiso 1 1 calc R . .
N1 N 0.33625(17) 0.26787(14) 0.36087(11) 0.0210(6) Uani 1 1 d . . .
N2 N 0.21578(17) 0.13950(14) 0.27468(12) 0.0217(6) Uani 1 1 d . . .
N3 N 0.17722(17) 0.11448(14) 0.37540(12) 0.0202(6) Uani 1 1 d . . .
N4 N 0.29415(16) 0.24509(14) 0.46119(12) 0.0204(6) Uani 1 1 d . . .
N5 N 0.78960(16) 0.18249(14) 0.25779(12) 0.0204(6) Uani 1 1 d . . .
N6 N 0.73516(16) 0.31382(14) 0.27663(12) 0.0192(6) Uani 1 1 d . . .
N7 N 0.64127(16) 0.26385(14) 0.14352(12) 0.0186(5) Uani 1 1 d . . .
N8 N 0.70655(17) 0.13669(14) 0.12435(11) 0.0201(6) Uani 1 1 d . . .
O1 O 0.38820(14) 0.19251(12) 0.17148(10) 0.0236(5) Uani 1 1 d . . .
O2 O 0.58106(14) 0.17576(12) 0.21050(9) 0.0224(5) Uani 1 1 d . . .
O3 O 0.51142(16) 0.07859(14) 0.26159(12) 0.0342(6) Uani 1 1 d . . .
O4 O 0.39813(16) -0.03925(13) 0.25827(11) 0.0325(6) Uani 1 1 d . . .
O5 O 0.46962(16) -0.12870(13) 0.46622(11) 0.0324(6) Uani 1 1 d . . .
O6 O 0.40541(19) -0.17691(16) 0.54617(13) 0.0473(7) Uani 1 1 d . . .
O7 O 0.2631(2) -0.05555(16) 0.59708(13) 0.0524(8) Uani 1 1 d . . .
O8 O 0.25848(19) 0.09428(15) 0.55390(13) 0.0455(7) Uani 1 1 d . . .
O9 O 1.00546(14) 0.32498(13) 0.41966(10) 0.0272(5) Uani 1 1 d . . .
O10 O 1.13239(14) 0.25250(12) 0.35884(11) 0.0281(5) Uani 1 1 d . . .
O11 O 1.03411(15) 0.30689(14) 0.26590(11) 0.0337(6) Uani 1 1 d . . .
O12 O 0.97993(16) 0.42998(14) 0.24950(12) 0.0370(6) Uani 1 1 d . . .
O13 O 0.9346(2) 0.40493(18) -0.00285(13) 0.0535(8) Uani 1 1 d . . .
O14 O 0.8769(2) 0.29705(19) -0.12205(15) 0.0626(9) Uani 1 1 d . . .
O15 O 0.6896(3) 0.2260(3) -0.16213(17) 0.1086(16) Uani 1 1 d D . .
O16 O 0.6482(2) 0.21227(15) -0.03829(12) 0.0476(8) Uani 1 1 d . . .
Zn1 Zn 0.24436(2) 0.197940(19) 0.367271(16) 0.01914(10) Uani 1 1 d . . .
Zn2 Zn 0.70480(2) 0.219009(19) 0.201417(16) 0.01744(9) Uani 1 1 d . . .
C129 C 0.7092(6) 0.2198(6) -0.1054(3) 0.081(3) Uiso 0.611(11) 1 d PD B 1
H29C H 0.7721 0.2422 -0.0806 0.097 Uiso 0.611(11) 1 calc PR B 1
H29D H 0.7004 0.1687 -0.1126 0.097 Uiso 0.611(11) 1 calc PR B 1
C130 C 0.6500(3) 0.2554(3) -0.07117(19) 0.0691(15) Uani 0.611(11) 1 d PD B 1
H30C H 0.6768 0.3061 -0.0438 0.083 Uiso 0.611(11) 1 calc PR B 1
H30D H 0.5903 0.2516 -0.0989 0.083 Uiso 0.611(11) 1 calc PR B 1
C74A C 0.1937(4) -0.1857(3) 0.3498(3) 0.0797(17) Uiso 0.461(9) 1 d PD C 1
H74A H 0.2526 -0.1649 0.3821 0.096 Uiso 0.461(9) 1 calc PR C 1
H74B H 0.2038 -0.1912 0.3111 0.096 Uiso 0.461(9) 1 calc PR C 1
C75A C 0.1690(4) -0.2621(5) 0.3445(9) 0.1262(11) Uiso 0.461(9) 1 d PD C 1
H75A H 0.1322 -0.2939 0.3021 0.151 Uiso 0.461(9) 1 calc PR C 1
H75B H 0.1342 -0.2626 0.3717 0.151 Uiso 0.461(9) 1 calc PR C 1
C76A C 0.2554(6) -0.2887(4) 0.3631(4) 0.143(3) Uiso 0.461(9) 1 d PD C 1
H76A H 0.2408 -0.3372 0.3604 0.214 Uiso 0.461(9) 1 calc PR C 1
H76B H 0.2915 -0.2568 0.4051 0.214 Uiso 0.461(9) 1 calc PR C 1
H76C H 0.2889 -0.2889 0.3355 0.214 Uiso 0.461(9) 1 calc PR C 1
C229 C 0.7199(6) 0.2672(8) -0.0980(2) 0.081(3) Uiso 0.389(11) 1 d PD B 2
H29E H 0.7345 0.3185 -0.0896 0.097 Uiso 0.389(11) 1 calc PR B 2
H29F H 0.7747 0.2537 -0.0788 0.097 Uiso 0.389(11) 1 calc PR B 2
C230 C 0.6500(3) 0.2554(3) -0.07117(19) 0.0691(15) Uani 0.389(11) 1 d PD B 2
H30E H 0.6467 0.3035 -0.0438 0.083 Uiso 0.389(11) 1 calc PR B 2
H30F H 0.5932 0.2372 -0.1055 0.083 Uiso 0.389(11) 1 calc PR B 2
C74B C 0.1937(4) -0.1857(3) 0.3498(3) 0.0797(17) Uiso 0.539(9) 1 d PD C 2
H74C H 0.2436 -0.1675 0.3395 0.096 Uiso 0.539(9) 1 calc PR C 2
H74D H 0.1554 -0.2266 0.3123 0.096 Uiso 0.539(9) 1 calc PR C 2
C75B C 0.2339(10) -0.2161(5) 0.3968(3) 0.1262(11) Uiso 0.539(9) 1 d PD C 2
H75C H 0.1911 -0.2222 0.4175 0.151 Uiso 0.539(9) 1 calc PR C 2
H75D H 0.2887 -0.1828 0.4281 0.151 Uiso 0.539(9) 1 calc PR C 2
C76B C 0.2554(6) -0.2887(4) 0.3631(4) 0.143(3) Uiso 0.539(9) 1 d PD C 2
H76D H 0.2824 -0.3082 0.3926 0.214 Uiso 0.539(9) 1 calc PR C 2
H76E H 0.2969 -0.2822 0.3421 0.214 Uiso 0.539(9) 1 calc PR C 2
H76F H 0.2005 -0.3218 0.3331 0.214 Uiso 0.539(9) 1 calc PR C 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_3
N1 C1 C2 123.8(3) .
N1 C1 C20 109.6(3) .
C2 C1 C20 126.6(3) .
C3 C2 C1 124.9(3) .
C3 C2 C54 117.8(3) .
C1 C2 C54 117.0(3) .
N2 C3 C2 124.5(3) .
N2 C3 C4 108.4(3) .
C2 C3 C4 127.1(3) .
C5 C4 C3 106.9(3) .
C5 C4 C56 124.1(3) .
C3 C4 C56 129.1(3) .
C4 C5 C6 107.0(3) .
C4 C5 C65 128.1(3) .
C6 C5 C65 124.9(3) .
N2 C6 C7 124.8(3) .
N2 C6 C5 110.4(3) .
C7 C6 C5 124.8(3) .
C8 C7 C6 128.7(3) .
C8 C7 H7 115.7 .
C6 C7 H7 115.7 .
N3 C8 C7 125.4(3) .
N3 C8 C9 110.1(3) .
C7 C8 C9 124.1(3) .
C10 C9 C8 107.3(3) .
C10 C9 C71 128.4(3) .
C8 C9 C71 124.3(3) .
C9 C10 C11 106.2(3) .
C9 C10 C57 124.3(3) .
C11 C10 C57 129.5(3) .
N3 C11 C12 124.2(3) .
N3 C11 C10 109.1(3) .
C12 C11 C10 126.6(3) .
C11 C12 C13 125.2(3) .
C11 C12 C21 118.4(3) .
C13 C12 C21 116.4(3) .
N4 C13 C12 123.9(3) .
N4 C13 C14 109.9(3) .
C12 C13 C14 126.2(3) .
C15 C14 C13 106.0(3) .
C15 C14 C58 123.5(3) .
C13 C14 C58 130.4(3) .
C14 C15 C16 106.8(3) .
C14 C15 C77 127.1(3) .
C16 C15 C77 126.0(3) .
N4 C16 C17 125.1(3) .
N4 C16 C15 110.7(3) .
C17 C16 C15 124.2(3) .
C16 C17 C18 128.3(3) .
C16 C17 H17 115.9 .
C18 C17 H17 115.9 .
N1 C18 C17 125.1(3) .
N1 C18 C19 110.3(3) .
C17 C18 C19 124.4(3) .
C20 C19 C18 107.2(3) .
C20 C19 C59 129.1(3) .
C18 C19 C59 123.7(3) .
C19 C20 C1 106.3(3) .
C19 C20 C55 124.5(3) .
C1 C20 C55 129.2(3) .
C22 C21 C26 119.8(3) .
C22 C21 C12 119.4(3) .
C26 C21 C12 120.8(3) .
C21 C22 C23 120.4(4) .
C21 C22 H22 119.8 .
C23 C22 H22 119.8 .
C24 C23 C22 117.9(4) .
C24 C23 H23 121.0 .
C22 C23 H23 121.0 .
C25 C24 C23 122.2(4) .
C25 C24 H24 118.9 .
C23 C24 H24 118.9 .
C24 C25 C26 120.1(4) .
C24 C25 H25 119.9 .
C26 C25 H25 119.9 .
O8 C26 C25 124.6(4) .
O8 C26 C21 115.9(3) .
C25 C26 C21 119.5(4) .
O8 C27 C28 111.8(4) .
O8 C27 H27A 109.3 .
C28 C27 H27A 109.3 .
O8 C27 H27B 109.3 .
C28 C27 H27B 109.3 .
H27A C27 H27B 107.9 .
O7 C28 C27 109.0(4) .
O7 C28 H28A 109.9 .
C27 C28 H28A 109.9 .
O7 C28 H28B 109.9 .
C27 C28 H28B 109.9 .
H28A C28 H28B 108.3 .
O7 C29 C30 109.8(4) .
O7 C29 H29A 109.7 .
C30 C29 H29A 109.7 .
O7 C29 H29B 109.7 .
C30 C29 H29B 109.7 .
H29A C29 H29B 108.2 .
C29 C30 O6 105.9(4) .
C29 C30 H30A 110.6 .
O6 C30 H30A 110.6 .
C29 C30 H30B 110.6 .
O6 C30 H30B 110.6 .
H30A C30 H30B 108.7 .
O6 C31 C32 113.9(3) .
O6 C31 H31A 108.8 .
C32 C31 H31A 108.8 .
O6 C31 H31B 108.8 .
C32 C31 H31B 108.8 .
H31A C31 H31B 107.7 .
O5 C32 C31 109.0(3) .
O5 C32 H32A 109.9 .
C31 C32 H32A 109.9 .
O5 C32 H32B 109.9 .
C31 C32 H32B 109.9 .
H32A C32 H32B 108.3 .
C34 C33 O5 124.2(3) .
C34 C33 C38 120.8(3) .
O5 C33 C38 115.0(3) .
C33 C34 C35 119.9(3) .
C33 C34 H34 120.1 .
C35 C34 H34 120.1 .
C36 C35 C34 121.6(4) .
C36 C35 H35 119.2 .
C34 C35 H35 119.2 .
C35 C36 C37 119.8(3) .
C35 C36 H36 120.1 .
C37 C36 H36 120.1 .
C36 C37 C42 121.7(3) .
C36 C37 C38 120.0(3) .
C42 C37 C38 118.3(3) .
C39 C38 C37 119.8(3) .
C39 C38 C33 122.3(3) .
C37 C38 C33 117.9(3) .
C40 C39 C38 119.6(4) .
C40 C39 H39 120.2 .
C38 C39 H39 120.2 .
C39 C40 C41 122.0(3) .
C39 C40 H40 119.0 .
C41 C40 H40 119.0 .
C42 C41 C40 119.1(3) .
C42 C41 H41 120.4 .
C40 C41 H41 120.4 .
O4 C42 C41 124.8(3) .
O4 C42 C37 114.0(3) .
C41 C42 C37 121.1(3) .
O4 C43 C44 113.8(3) .
O4 C43 H43A 108.8 .
C44 C43 H43A 108.8 .
O4 C43 H43B 108.8 .
C44 C43 H43B 108.8 .
H43A C43 H43B 107.7 .
O3 C44 C43 108.2(3) .
O3 C44 H44A 110.1 .
C43 C44 H44A 110.1 .
O3 C44 H44B 110.1 .
C43 C44 H44B 110.1 .
H44A C44 H44B 108.4 .
O3 C45 C46 114.7(3) .
O3 C45 H45A 108.6 .
C46 C45 H45A 108.6 .
O3 C45 H45B 108.6 .
C46 C45 H45B 108.6 .
H45A C45 H45B 107.6 .
O2 C46 C45 112.8(3) .
O2 C46 H46A 109.0 .
C45 C46 H46A 109.0 .
O2 C46 H46B 109.0 .
C45 C46 H46B 109.0 .
H46A C46 H46B 107.8 .
O2 C47 C48 113.3(3) .
O2 C47 H47A 108.9 .
C48 C47 H47A 108.9 .
O2 C47 H47B 108.9 .
C48 C47 H47B 108.9 .
H47A C47 H47B 107.7 .
O1 C48 C47 108.7(3) .
O1 C48 H48A 110.0 .
C47 C48 H48A 110.0 .
O1 C48 H48B 110.0 .
C47 C48 H48B 110.0 .
H48A C48 H48B 108.3 .
O1 C49 C50 124.0(3) .
O1 C49 C54 114.8(3) .
C50 C49 C54 121.2(3) .
C51 C50 C49 119.3(3) .
C51 C50 H50 120.3 .
C49 C50 H50 120.3 .
C50 C51 C52 120.8(4) .
C50 C51 H51 119.6 .
C52 C51 H51 119.6 .
C51 C52 C53 119.0(4) .
C51 C52 H52 120.5 .
C53 C52 H52 120.5 .
C54 C53 C52 121.7(4) .
C54 C53 H53 119.1 .
C52 C53 H53 119.1 .
C53 C54 C49 118.0(3) .
C53 C54 C2 118.7(3) .
C49 C54 C2 123.4(3) .
C20 C55 H55A 109.5 .
C20 C55 H55B 109.5 .
H55A C55 H55B 109.5 .
C20 C55 H55C 109.5 .
H55A C55 H55C 109.5 .
H55B C55 H55C 109.5 .
C4 C56 H56A 109.5 .
C4 C56 H56B 109.5 .
H56A C56 H56B 109.5 .
C4 C56 H56C 109.5 .
H56A C56 H56C 109.5 .
H56B C56 H56C 109.5 .
C10 C57 H57A 109.5 .
C10 C57 H57B 109.5 .
H57A C57 H57B 109.5 .
C10 C57 H57C 109.5 .
H57A C57 H57C 109.5 .
H57B C57 H57C 109.5 .
C14 C58 H58A 109.5 .
C14 C58 H58B 109.5 .
H58A C58 H58B 109.5 .
C14 C58 H58C 109.5 .
H58A C58 H58C 109.5 .
H58B C58 H58C 109.5 .
C19 C59 C60 114.2(3) .
C19 C59 H59A 108.7 .
C60 C59 H59A 108.7 .
C19 C59 H59B 108.7 .
C60 C59 H59B 108.7 .
H59A C59 H59B 107.6 .
C59 C60 C61 111.9(3) .
C59 C60 H60A 109.2 .
C61 C60 H60A 109.2 .
C59 C60 H60B 109.2 .
C61 C60 H60B 109.2 .
H60A C60 H60B 107.9 .
C62 C61 C60 114.6(3) .
C62 C61 H61A 108.6 .
C60 C61 H61A 108.6 .
C62 C61 H61B 108.6 .
C60 C61 H61B 108.6 .
H61A C61 H61B 107.6 .
C61 C62 C63 119.4(4) .
C61 C62 H62A 107.5 .
C63 C62 H62A 107.5 .
C61 C62 H62B 107.5 .
C63 C62 H62B 107.5 .
H62A C62 H62B 107.0 .
C64 C63 C62 108.66(10) .
C64 C63 H63A 110.0 .
C62 C63 H63A 110.0 .
C64 C63 H63B 110.0 .
C62 C63 H63B 110.0 .
H63A C63 H63B 108.3 .
C63 C64 H64A 109.5 .
C63 C64 H64B 109.5 .
H64A C64 H64B 109.5 .
C63 C64 H64C 109.5 .
H64A C64 H64C 109.5 .
H64B C64 H64C 109.5 .
C5 C65 C66 111.9(3) .
C5 C65 H65A 109.2 .
C66 C65 H65A 109.2 .
C5 C65 H65B 109.2 .
C66 C65 H65B 109.2 .
H65A C65 H65B 107.9 .
C65 C66 C67 114.9(4) .
C65 C66 H66A 108.5 .
C67 C66 H66A 108.5 .
C65 C66 H66B 108.5 .
C67 C66 H66B 108.5 .
H66A C66 H66B 107.5 .
C68 C67 C66 109.8(5) .
C68 C67 H67A 109.7 .
C66 C67 H67A 109.7 .
C68 C67 H67B 109.7 .
C66 C67 H67B 109.7 .
H67A C67 H67B 108.2 .
C67 C68 C69 112.8(7) .
C67 C68 H68A 109.0 .
C69 C68 H68A 109.0 .
C67 C68 H68B 109.0 .
C69 C68 H68B 109.0 .
H68A C68 H68B 107.8 .
C70 C69 C68 105.1(7) .
C70 C69 H69A 110.7 .
C68 C69 H69A 110.7 .
C70 C69 H69B 110.7 .
C68 C69 H69B 110.7 .
H69A C69 H69B 108.8 .
C69 C70 H70A 109.5 .
C69 C70 H70B 109.5 .
H70A C70 H70B 109.5 .
C69 C70 H70C 109.5 .
H70A C70 H70C 109.5 .
H70B C70 H70C 109.5 .
C9 C71 C72 114.3(3) .
C9 C71 H71A 108.7 .
C72 C71 H71A 108.7 .
C9 C71 H71B 108.7 .
C72 C71 H71B 108.7 .
H71A C71 H71B 107.6 .
C73 C72 C71 113.9(3) .
C73 C72 H72A 108.8 .
C71 C72 H72A 108.8 .
C73 C72 H72B 108.8 .
C71 C72 H72B 108.8 .
H72A C72 H72B 107.7 .
C74A C73 C72 109.4(4) .
C74A C73 H73A 109.8 .
C72 C73 H73A 109.8 .
C74A C73 H73B 109.8 .
C72 C73 H73B 109.8 .
H73A C73 H73B 108.2 .
C15 C77 C78 114.7(3) .
C15 C77 H77A 108.6 .
C78 C77 H77A 108.6 .
C15 C77 H77B 108.6 .
C78 C77 H77B 108.6 .
H77A C77 H77B 107.6 .
C79 C78 C77 114.8(4) .
C79 C78 H78A 108.6 .
C77 C78 H78A 108.6 .
C79 C78 H78B 108.6 .
C77 C78 H78B 108.6 .
H78A C78 H78B 107.5 .
C78 C79 C80 121.1(4) .
C78 C79 H79A 107.0 .
C80 C79 H79A 107.0 .
C78 C79 H79B 107.0 .
C80 C79 H79B 107.0 .
H79A C79 H79B 106.8 .
C79 C80 C81 108.99(10) .
C79 C80 H80A 109.9 .
C81 C80 H80A 109.9 .
C79 C80 H80B 109.9 .
C81 C80 H80B 109.9 .
H80A C80 H80B 108.3 .
C82 C81 C80 108.71(10) .
C82 C81 H81A 109.9 .
C80 C81 H81A 109.9 .
C82 C81 H81B 109.9 .
C80 C81 H81B 109.9 .
H81A C81 H81B 108.3 .
C81 C82 H82A 109.5 .
C81 C82 H82B 109.5 .
H82A C82 H82B 109.5 .
C81 C82 H82C 109.5 .
H82A C82 H82C 109.5 .
H82B C82 H82C 109.5 .
N5 C83 C84 122.1(3) .
N5 C83 C102 109.4(3) .
C84 C83 C102 128.3(3) .
C85 C84 C83 125.2(3) .
C85 C84 C103 117.2(3) .
C83 C84 C103 117.5(3) .
N6 C85 C84 124.9(3) .
N6 C85 C86 108.7(3) .
C84 C85 C86 126.4(3) .
C87 C86 C85 106.8(3) .
C87 C86 C138 124.1(3) .
C85 C86 C138 128.7(3) .
C86 C87 C88 107.2(3) .
C86 C87 C147 126.6(3) .
C88 C87 C147 126.1(3) .
N6 C88 C89 124.8(3) .
N6 C88 C87 110.0(3) .
C89 C88 C87 125.2(3) .
C90 C89 C88 128.9(3) .
C90 C89 H89 115.5 .
C88 C89 H89 115.5 .
N7 C90 C89 125.0(3) .
N7 C90 C91 110.0(3) .
C89 C90 C91 125.0(3) .
C92 C91 C90 106.7(3) .
C92 C91 C153 129.0(3) .
C90 C91 C153 124.3(3) .
C91 C92 C93 107.0(3) .
C91 C92 C139 123.8(3) .
C93 C92 C139 129.2(3) .
N7 C93 C94 123.1(3) .
N7 C93 C92 109.2(3) .
C94 C93 C92 127.6(3) .
C95 C94 C93 125.2(3) .
C95 C94 C136 115.5(3) .
C93 C94 C136 119.3(3) .
N8 C95 C94 123.7(3) .
N8 C95 C96 109.4(3) .
C94 C95 C96 126.9(3) .
C97 C96 C95 106.1(3) .
C97 C96 C140 124.3(3) .
C95 C96 C140 129.4(3) .
C96 C97 C98 107.2(3) .
C96 C97 C159 129.7(3) .
C98 C97 C159 123.1(3) .
N8 C98 C99 124.7(3) .
N8 C98 C97 110.9(3) .
C99 C98 C97 124.3(3) .
C100 C99 C98 128.6(3) .
C100 C99 H99 115.7 .
C98 C99 H99 115.7 .
N5 C100 C99 125.0(3) .
N5 C100 C101 110.5(3) .
C99 C100 C101 124.4(3) .
C102 C101 C100 107.3(3) .
C102 C101 C141 129.9(3) .
C100 C101 C141 122.7(3) .
C101 C102 C83 106.0(3) .
C101 C102 C137 123.5(3) .
C83 C102 C137 130.2(3) .
C104 C103 C108 117.8(3) .
C104 C103 C84 120.3(3) .
C108 C103 C84 121.9(3) .
C105 C104 C103 121.8(3) .
C105 C104 H104 119.1 .
C103 C104 H104 119.1 .
C106 C105 C104 119.5(4) .
C106 C105 H105 120.2 .
C104 C105 H105 120.2 .
C105 C106 C107 120.5(3) .
C105 C106 H106 119.8 .
C107 C106 H106 119.8 .
C108 C107 C106 120.0(3) .
C108 C107 H107 120.0 .
C106 C107 H107 120.0 .
O9 C108 C107 124.4(3) .
O9 C108 C103 115.2(3) .
C107 C108 C103 120.3(3) .
O9 C109 C110 108.2(3) .
O9 C109 H10A 110.1 .
C110 C109 H10A 110.1 .
O9 C109 H10B 110.1 .
C110 C109 H10B 110.1 .
H10A C109 H10B 108.4 .
O10 C110 C109 113.6(3) .
O10 C110 H11A 108.8 .
C109 C110 H11A 108.8 .
O10 C110 H11B 108.8 .
C109 C110 H11B 108.8 .
H11A C110 H11B 107.7 .
O10 C111 C112 112.8(3) .
O10 C111 H11C 109.0 .
C112 C111 H11C 109.0 .
O10 C111 H11D 109.0 .
C112 C111 H11D 109.0 .
H11C C111 H11D 107.8 .
O11 C112 C111 114.4(3) .
O11 C112 H11E 108.7 .
C111 C112 H11E 108.7 .
O11 C112 H11F 108.7 .
C111 C112 H11F 108.7 .
H11E C112 H11F 107.6 .
O11 C113 C114 109.7(3) .
O11 C113 H11G 109.7 .
C114 C113 H11G 109.7 .
O11 C113 H11H 109.7 .
C114 C113 H11H 109.7 .
H11G C113 H11H 108.2 .
O12 C114 C113 113.7(3) .
O12 C114 H11I 108.8 .
C113 C114 H11I 108.8 .
O12 C114 H11J 108.8 .
C113 C114 H11J 108.8 .
H11I C114 H11J 107.7 .
O12 C115 C116 125.5(3) .
O12 C115 C120 113.7(3) .
C116 C115 C120 120.9(3) .
C115 C116 C117 119.9(4) .
C115 C116 H116 120.0 .
C117 C116 H116 120.0 .
C118 C117 C116 121.3(4) .
C118 C117 H117 119.3 .
C116 C117 H117 119.3 .
C117 C118 C119 120.3(4) .
C117 C118 H118 119.9 .
C119 C118 H118 119.9 .
C118 C119 C124 122.7(4) .
C118 C119 C120 119.3(3) .
C124 C119 C120 118.0(3) .
C121 C120 C119 119.8(3) .
C121 C120 C115 122.0(3) .
C119 C120 C115 118.2(3) .
C122 C121 C120 119.6(4) .
C122 C121 H121 120.2 .
C120 C121 H121 120.2 .
C121 C122 C123 121.4(4) .
C121 C122 H122 119.3 .
C123 C122 H122 119.3 .
C124 C123 C122 120.1(4) .
C124 C123 H123 119.9 .
C122 C123 H123 119.9 .
C123 C124 O13 124.9(4) .
C123 C124 C119 121.0(4) .
O13 C124 C119 114.1(4) .
O13 C125 C126 108.1(4) .
O13 C125 H12A 110.1 .
C126 C125 H12A 110.1 .
O13 C125 H12B 110.1 .
C126 C125 H12B 110.1 .
H12A C125 H12B 108.4 .
O14 C126 C125 108.8(4) .
O14 C126 H12C 109.9 .
C125 C126 H12C 109.9 .
O14 C126 H12D 109.9 .
C125 C126 H12D 109.9 .
H12C C126 H12D 108.3 .
O14 C127 C128 109.0(5) .
O14 C127 H12E 109.9 .
C128 C127 H12E 109.9 .
O14 C127 H12F 109.9 .
C128 C127 H12F 109.9 .
H12E C127 H12F 108.3 .
O15 C128 C127 109.6(5) .
O15 C128 H12G 109.7 .
C127 C128 H12G 109.7 .
O15 C128 H12H 109.7 .
C127 C128 H12H 109.7 .
H12G C128 H12H 108.2 .
O16 C131 C132 124.0(3) .
O16 C131 C136 115.3(3) .
C132 C131 C136 120.7(3) .
C133 C132 C131 120.3(4) .
C133 C132 H132 119.8 .
C131 C132 H132 119.8 .
C132 C133 C134 119.9(3) .
C132 C133 H133 120.0 .
C134 C133 H133 120.0 .
C135 C134 C133 119.3(4) .
C135 C134 H134 120.4 .
C133 C134 H134 120.4 .
C136 C135 C134 121.8(4) .
C136 C135 H135 119.1 .
C134 C135 H135 119.1 .
C135 C136 C131 118.0(3) .
C135 C136 C94 120.2(3) .
C131 C136 C94 121.7(3) .
C102 C137 H13C 109.5 .
C102 C137 H13D 109.5 .
H13C C137 H13D 109.5 .
C102 C137 H13E 109.5 .
H13C C137 H13E 109.5 .
H13D C137 H13E 109.5 .
C86 C138 H13F 109.5 .
C86 C138 H13G 109.5 .
H13F C138 H13G 109.5 .
C86 C138 H13H 109.5 .
H13F C138 H13H 109.5 .
H13G C138 H13H 109.5 .
C92 C139 H13I 109.5 .
C92 C139 H13J 109.5 .
H13I C139 H13J 109.5 .
C92 C139 H13K 109.5 .
H13I C139 H13K 109.5 .
H13J C139 H13K 109.5 .
C96 C140 H14A 109.5 .
C96 C140 H14B 109.5 .
H14A C140 H14B 109.5 .
C96 C140 H14C 109.5 .
H14A C140 H14C 109.5 .
H14B C140 H14C 109.5 .
C101 C141 C142 111.7(3) .
C101 C141 H14D 109.3 .
C142 C141 H14D 109.3 .
C101 C141 H14E 109.3 .
C142 C141 H14E 109.3 .
H14D C141 H14E 107.9 .
C143 C142 C141 114.1(3) .
C143 C142 H14F 108.7 .
C141 C142 H14F 108.7 .
C143 C142 H14G 108.7 .
C141 C142 H14G 108.7 .
H14F C142 H14G 107.6 .
C142 C143 C144 113.8(3) .
C142 C143 H14H 108.8 .
C144 C143 H14H 108.8 .
C142 C143 H14I 108.8 .
C144 C143 H14I 108.8 .
H14H C143 H14I 107.7 .
C145 C144 C143 114.3(3) .
C145 C144 H14J 108.7 .
C143 C144 H14J 108.7 .
C145 C144 H14K 108.7 .
C143 C144 H14K 108.7 .
H14J C144 H14K 107.6 .
C146 C145 C144 112.7(4) .
C146 C145 H14L 109.0 .
C144 C145 H14L 109.0 .
C146 C145 H14M 109.0 .
C144 C145 H14M 109.0 .
H14L C145 H14M 107.8 .
C145 C146 H14N 109.5 .
C145 C146 H14O 109.5 .
H14N C146 H14O 109.5 .
C145 C146 H14P 109.5 .
H14N C146 H14P 109.5 .
H14O C146 H14P 109.5 .
C87 C147 C148 113.9(3) .
C87 C147 H14Q 108.8 .
C148 C147 H14Q 108.8 .
C87 C147 H14R 108.8 .
C148 C147 H14R 108.8 .
H14Q C147 H14R 107.7 .
C149 C148 C147 114.2(3) .
C149 C148 H14S 108.7 .
C147 C148 H14S 108.7 .
C149 C148 H14T 108.7 .
C147 C148 H14T 108.7 .
H14S C148 H14T 107.6 .
C150 C149 C148 113.8(3) .
C150 C149 H14U 108.8 .
C148 C149 H14U 108.8 .
C150 C149 H14V 108.8 .
C148 C149 H14V 108.8 .
H14U C149 H14V 107.7 .
C149 C150 C151 112.9(4) .
C149 C150 H15A 109.0 .
C151 C150 H15A 109.0 .
C149 C150 H15B 109.0 .
C151 C150 H15B 109.0 .
H15A C150 H15B 107.8 .
C152 C151 C150 112.9(5) .
C152 C151 H15C 109.0 .
C150 C151 H15C 109.0 .
C152 C151 H15D 109.0 .
C150 C151 H15D 109.0 .
H15C C151 H15D 107.8 .
C151 C152 H15E 109.5 .
C151 C152 H15F 109.5 .
H15E C152 H15F 109.5 .
C151 C152 H15G 109.5 .
H15E C152 H15G 109.5 .
H15F C152 H15G 109.5 .
C91 C153 C154 113.3(3) .
C91 C153 H15H 108.9 .
C154 C153 H15H 108.9 .
C91 C153 H15I 108.9 .
C154 C153 H15I 108.9 .
H15H C153 H15I 107.7 .
C155 C154 C153 114.0(3) .
C155 C154 H15J 108.8 .
C153 C154 H15J 108.8 .
C155 C154 H15K 108.8 .
C153 C154 H15K 108.8 .
H15J C154 H15K 107.6 .
C154 C155 C156 113.2(4) .
C154 C155 H15L 108.9 .
C156 C155 H15L 108.9 .
C154 C155 H15M 108.9 .
C156 C155 H15M 108.9 .
H15L C155 H15M 107.7 .
C157 C156 C155 114.6(4) .
C157 C156 H15N 108.6 .
C155 C156 H15N 108.6 .
C157 C156 H15O 108.6 .
C155 C156 H15O 108.6 .
H15N C156 H15O 107.6 .
C156 C157 C158 113.2(5) .
C156 C157 H15P 108.9 .
C158 C157 H15P 108.9 .
C156 C157 H15Q 108.9 .
C158 C157 H15Q 108.9 .
H15P C157 H15Q 107.7 .
C157 C158 H15R 109.5 .
C157 C158 H15S 109.5 .
H15R C158 H15S 109.5 .
C157 C158 H15T 109.5 .
H15R C158 H15T 109.5 .
H15S C158 H15T 109.5 .
C97 C159 C160 115.3(3) .
C97 C159 H15U 108.5 .
C160 C159 H15U 108.5 .
C97 C159 H15V 108.5 .
C160 C159 H15V 108.5 .
H15U C159 H15V 107.5 .
C159 C160 C161 111.8(3) .
C159 C160 H16A 109.3 .
C161 C160 H16A 109.3 .
C159 C160 H16B 109.3 .
C161 C160 H16B 109.3 .
H16A C160 H16B 107.9 .
C162 C161 C160 114.6(3) .
C162 C161 H16C 108.6 .
C160 C161 H16C 108.6 .
C162 C161 H16D 108.6 .
C160 C161 H16D 108.6 .
H16C C161 H16D 107.6 .
C161 C162 C163 113.4(3) .
C161 C162 H16E 108.9 .
C163 C162 H16E 108.9 .
C161 C162 H16F 108.9 .
C163 C162 H16F 108.9 .
H16E C162 H16F 107.7 .
C162 C163 C164 113.2(3) .
C162 C163 H16G 108.9 .
C164 C163 H16G 108.9 .
C162 C163 H16H 108.9 .
C164 C163 H16H 108.9 .
H16G C163 H16H 107.8 .
C163 C164 H16I 109.5 .
C163 C164 H16J 109.5 .
H16I C164 H16J 109.5 .
C163 C164 H16K 109.5 .
H16I C164 H16K 109.5 .
H16J C164 H16K 109.5 .
C18 N1 C1 106.5(3) .
C18 N1 Zn1 124.9(2) .
C1 N1 Zn1 128.3(2) .
C6 N2 C3 107.3(3) .
C6 N2 Zn1 124.1(2) .
C3 N2 Zn1 126.3(2) .
C8 N3 C11 107.1(3) .
C8 N3 Zn1 124.6(2) .
C11 N3 Zn1 127.5(2) .
C13 N4 C16 106.7(3) .
C13 N4 Zn1 128.2(2) .
C16 N4 Zn1 124.7(2) .
C100 N5 C83 106.6(3) .
C100 N5 Zn2 122.4(2) .
C83 N5 Zn2 129.4(2) .
C88 N6 C85 107.1(3) .
C88 N6 Zn2 124.2(2) .
C85 N6 Zn2 128.6(2) .
C90 N7 C93 107.0(3) .
C90 N7 Zn2 122.6(2) .
C93 N7 Zn2 128.1(2) .
C98 N8 C95 106.4(3) .
C98 N8 Zn2 124.0(2) .
C95 N8 Zn2 129.5(2) .
C49 O1 C48 116.9(2) .
C47 O2 C46 116.7(2) .
C47 O2 Zn2 120.13(17) .
C46 O2 Zn2 122.51(19) .
C45 O3 C44 113.9(3) .
C42 O4 C43 119.5(3) .
C33 O5 C32 116.6(3) .
C31 O6 C30 110.5(3) .
C28 O7 C29 115.8(4) .
C26 O8 C27 121.3(3) .
C108 O9 C109 117.7(3) .
C110 O10 C111 116.8(2) .
C110 O10 Zn1 121.56(19) 1_655
C111 O10 Zn1 121.47(19) 1_655
C112 O11 C113 112.4(3) .
C115 O12 C114 118.7(3) .
C124 O13 C125 117.6(3) .
C126 O14 C127 109.6(4) .
C129 O15 C229 37.7(7) .
C129 O15 C128 111.6(5) .
C229 O15 C128 118.1(6) .
C131 O16 C130 116.7(3) .
N1 Zn1 N3 165.93(10) .
N1 Zn1 N4 91.57(10) .
N3 Zn1 N4 87.18(10) .
N1 Zn1 N2 86.86(10) .
N3 Zn1 N2 91.49(10) .
N4 Zn1 N2 168.12(10) .
N1 Zn1 O10 99.22(10) 1_455
N3 Zn1 O10 94.85(10) 1_455
N4 Zn1 O10 95.77(9) 1_455
N2 Zn1 O10 96.10(10) 1_455
N8 Zn2 N6 163.84(10) .
N8 Zn2 N5 92.08(10) .
N6 Zn2 N5 86.41(10) .
N8 Zn2 N7 86.36(10) .
N6 Zn2 N7 92.15(10) .
N5 Zn2 N7 169.31(10) .
N8 Zn2 O2 100.04(9) .
N6 Zn2 O2 96.12(9) .
N5 Zn2 O2 96.39(9) .
N7 Zn2 O2 94.30(9) .
O15 C129 C130 110.44(10) .
O15 C129 H29C 109.6 .
C130 C129 H29C 109.6 .
O15 C129 H29D 109.6 .
C130 C129 H29D 109.6 .
H29C C129 H29D 108.1 .
O16 C130 C129 97.9(4) .
O16 C130 H30C 112.2 .
C129 C130 H30C 112.2 .
O16 C130 H30D 112.2 .
C129 C130 H30D 112.2 .
H30C C130 H30D 109.8 .
C73 C74A C75A 127.1(6) .
C73 C74A H74A 105.5 .
C75A C74A H74A 105.5 .
C73 C74A H74B 105.5 .
C75A C74A H74B 105.5 .
H74A C74A H74B 106.1 .
C74A C75A C76A 108.46(9) .
C74A C75A H75A 110.0 .
C76A C75A H75A 110.0 .
C74A C75A H75B 110.0 .
C76A C75A H75B 110.0 .
H75A C75A H75B 108.4 .
C75A C76A H76A 109.5 .
C75A C76A H76B 109.5 .
H76A C76A H76B 109.5 .
C75A C76A H76C 109.5 .
H76A C76A H76C 109.5 .
H76B C76A H76C 109.5 .
O15 C229 H29E 109.6 .
O15 C229 H29F 109.6 .
H29E C229 H29F 108.1 .
H75C C75B H75D 108.4 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.375(4) .
C1 C2 1.416(4) .
C1 C20 1.473(4) .
C2 C3 1.401(5) .
C2 C54 1.495(4) .
C3 N2 1.381(4) .
C3 C4 1.470(4) .
C4 C5 1.367(5) .
C4 C56 1.501(5) .
C5 C6 1.439(5) .
C5 C65 1.502(5) .
C6 N2 1.366(4) .
C6 C7 1.389(5) .
C7 C8 1.384(4) .
C7 H7 0.9500 .
C8 N3 1.362(4) .
C8 C9 1.450(5) .
C9 C10 1.359(5) .
C9 C71 1.501(5) .
C10 C11 1.475(4) .
C10 C57 1.503(5) .
C11 N3 1.376(4) .
C11 C12 1.411(4) .
C12 C13 1.417(4) .
C12 C21 1.493(4) .
C13 N4 1.368(4) .
C13 C14 1.471(4) .
C14 C15 1.375(5) .
C14 C58 1.510(4) .
C15 C16 1.441(4) .
C15 C77 1.501(4) .
C16 N4 1.373(4) .
C16 C17 1.389(4) .
C17 C18 1.393(4) .
C17 H17 0.9500 .
C18 N1 1.372(4) .
C18 C19 1.449(4) .
C19 C20 1.359(5) .
C19 C59 1.499(5) .
C20 C55 1.507(5) .
C21 C22 1.380(5) .
C21 C26 1.414(5) .
C22 C23 1.404(5) .
C22 H22 0.9500 .
C23 C24 1.392(6) .
C23 H23 0.9500 .
C24 C25 1.362(6) .
C24 H24 0.9500 .
C25 C26 1.372(5) .
C25 H25 0.9500 .
C26 O8 1.362(5) .
C27 O8 1.441(5) .
C27 C28 1.464(7) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 O7 1.413(5) .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 O7 1.417(5) .
C29 C30 1.481(6) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 O6 1.481(5) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 O6 1.427(5) .
C31 C32 1.498(5) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 O5 1.433(4) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 C34 1.371(5) .
C33 O5 1.375(4) .
C33 C38 1.431(5) .
C34 C35 1.396(5) .
C34 H34 0.9500 .
C35 C36 1.365(5) .
C35 H35 0.9500 .
C36 C37 1.411(5) .
C36 H36 0.9500 .
C37 C42 1.420(5) .
C37 C38 1.420(5) .
C38 C39 1.420(5) .
C39 C40 1.358(5) .
C39 H39 0.9500 .
C40 C41 1.410(5) .
C40 H40 0.9500 .
C41 C42 1.377(5) .
C41 H41 0.9500 .
C42 O4 1.366(4) .
C43 O4 1.439(4) .
C43 C44 1.498(5) .
C43 H43A 0.9900 .
C43 H43B 0.9900 .
C44 O3 1.425(4) .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
C45 O3 1.424(4) .
C45 C46 1.500(5) .
C45 H45A 0.9900 .
C45 H45B 0.9900 .
C46 O2 1.442(4) .
C46 H46A 0.9900 .
C46 H46B 0.9900 .
C47 O2 1.426(4) .
C47 C48 1.501(5) .
C47 H47A 0.9900 .
C47 H47B 0.9900 .
C48 O1 1.443(4) .
C48 H48A 0.9900 .
C48 H48B 0.9900 .
C49 O1 1.376(4) .
C49 C50 1.383(5) .
C49 C54 1.399(5) .
C50 C51 1.383(5) .
C50 H50 0.9500 .
C51 C52 1.383(6) .
C51 H51 0.9500 .
C52 C53 1.386(5) .
C52 H52 0.9500 .
C53 C54 1.384(5) .
C53 H53 0.9500 .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
C59 C60 1.533(5) .
C59 H59A 0.9900 .
C59 H59B 0.9900 .
C60 C61 1.540(6) .
C60 H60A 0.9900 .
C60 H60B 0.9900 .
C61 C62 1.495(7) .
C61 H61A 0.9900 .
C61 H61B 0.9900 .
C62 C63 1.5401(10) .
C62 H62A 0.9900 .
C62 H62B 0.9900 .
C63 C64 1.5379(10) .
C63 H63A 0.9900 .
C63 H63B 0.9900 .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C65 C66 1.541(6) .
C65 H65A 0.9900 .
C65 H65B 0.9900 .
C66 C67 1.549(7) .
C66 H66A 0.9900 .
C66 H66B 0.9900 .
C67 C68 1.432(9) .
C67 H67A 0.9900 .
C67 H67B 0.9900 .
C68 C69 1.582(10) .
C68 H68A 0.9900 .
C68 H68B 0.9900 .
C69 C70 1.454(10) .
C69 H69A 0.9900 .
C69 H69B 0.9900 .
C70 H70A 0.9800 .
C70 H70B 0.9800 .
C70 H70C 0.9800 .
C71 C72 1.532(5) .
C71 H71A 0.9900 .
C71 H71B 0.9900 .
C72 C73 1.510(6) .
C72 H72A 0.9900 .
C72 H72B 0.9900 .
C73 C74A 1.482(6) .
C73 H73A 0.9900 .
C73 H73B 0.9900 .
C77 C78 1.522(5) .
C77 H77A 0.9900 .
C77 H77B 0.9900 .
C78 C79 1.492(6) .
C78 H78A 0.9900 .
C78 H78B 0.9900 .
C79 C80 1.5365(10) .
C79 H79A 0.9900 .
C79 H79B 0.9900 .
C80 C81 1.5383(10) .
C80 H80A 0.9900 .
C80 H80B 0.9900 .
C81 C82 1.5380(10) .
C81 H81A 0.9900 .
C81 H81B 0.9900 .
C82 H82A 0.9800 .
C82 H82B 0.9800 .
C82 H82C 0.9800 .
C83 N5 1.377(4) .
C83 C84 1.410(4) .
C83 C102 1.472(4) .
C84 C85 1.405(4) .
C84 C103 1.492(4) .
C85 N6 1.382(4) .
C85 C86 1.464(4) .
C86 C87 1.366(5) .
C86 C138 1.507(5) .
C87 C88 1.440(4) .
C87 C147 1.505(5) .
C88 N6 1.370(4) .
C88 C89 1.391(4) .
C89 C90 1.390(4) .
C89 H89 0.9500 .
C90 N7 1.371(4) .
C90 C91 1.451(4) .
C91 C92 1.365(5) .
C91 C153 1.502(5) .
C92 C93 1.458(4) .
C92 C139 1.514(4) .
C93 N7 1.376(4) .
C93 C94 1.412(4) .
C94 C95 1.408(4) .
C94 C136 1.497(4) .
C95 N8 1.380(4) .
C95 C96 1.476(4) .
C96 C97 1.365(5) .
C96 C140 1.502(4) .
C97 C98 1.439(4) .
C97 C159 1.509(4) .
C98 N8 1.368(4) .
C98 C99 1.388(4) .
C99 C100 1.383(4) .
C99 H99 0.9500 .
C100 N5 1.363(4) .
C100 C101 1.442(4) .
C101 C102 1.360(4) .
C101 C141 1.502(4) .
C102 C137 1.500(4) .
C103 C104 1.392(5) .
C103 C108 1.410(5) .
C104 C105 1.378(5) .
C104 H104 0.9500 .
C105 C106 1.377(6) .
C105 H105 0.9500 .
C106 C107 1.385(5) .
C106 H106 0.9500 .
C107 C108 1.385(4) .
C107 H107 0.9500 .
C108 O9 1.369(4) .
C109 O9 1.438(4) .
C109 C110 1.504(5) .
C109 H10A 0.9900 .
C109 H10B 0.9900 .
C110 O10 1.421(4) .
C110 H11A 0.9900 .
C110 H11B 0.9900 .
C111 O10 1.454(4) .
C111 C112 1.513(5) .
C111 H11C 0.9900 .
C111 H11D 0.9900 .
C112 O11 1.416(4) .
C112 H11E 0.9900 .
C112 H11F 0.9900 .
C113 O11 1.426(4) .
C113 C114 1.487(5) .
C113 H11G 0.9900 .
C113 H11H 0.9900 .
C114 O12 1.442(4) .
C114 H11I 0.9900 .
C114 H11J 0.9900 .
C115 O12 1.366(4) .
C115 C116 1.367(5) .
C115 C120 1.429(5) .
C116 C117 1.408(5) .
C116 H116 0.9500 .
C117 C118 1.355(6) .
C117 H117 0.9500 .
C118 C119 1.420(5) .
C118 H118 0.9500 .
C119 C124 1.422(6) .
C119 C120 1.423(5) .
C120 C121 1.420(5) .
C121 C122 1.361(6) .
C121 H121 0.9500 .
C122 C123 1.400(6) .
C122 H122 0.9500 .
C123 C124 1.365(6) .
C123 H123 0.9500 .
C124 O13 1.367(5) .
C125 O13 1.427(5) .
C125 C126 1.486(7) .
C125 H12A 0.9900 .
C125 H12B 0.9900 .
C126 O14 1.391(6) .
C126 H12C 0.9900 .
C126 H12D 0.9900 .
C127 O14 1.413(6) .
C127 C128 1.4986(10) .
C127 H12E 0.9900 .
C127 H12F 0.9900 .
C128 O15 1.417(7) .
C128 H12G 0.9900 .
C128 H12H 0.9900 .
C131 O16 1.363(4) .
C131 C132 1.393(5) .
C131 C136 1.393(5) .
C132 C133 1.371(6) .
C132 H132 0.9500 .
C133 C134 1.392(6) .
C133 H133 0.9500 .
C134 C135 1.386(5) .
C134 H134 0.9500 .
C135 C136 1.384(5) .
C135 H135 0.9500 .
C137 H13C 0.9800 .
C137 H13D 0.9800 .
C137 H13E 0.9800 .
C138 H13F 0.9800 .
C138 H13G 0.9800 .
C138 H13H 0.9800 .
C139 H13I 0.9800 .
C139 H13J 0.9800 .
C139 H13K 0.9800 .
C140 H14A 0.9800 .
C140 H14B 0.9800 .
C140 H14C 0.9800 .
C141 C142 1.527(5) .
C141 H14D 0.9900 .
C141 H14E 0.9900 .
C142 C143 1.520(5) .
C142 H14F 0.9900 .
C142 H14G 0.9900 .
C143 C144 1.525(5) .
C143 H14H 0.9900 .
C143 H14I 0.9900 .
C144 C145 1.523(5) .
C144 H14J 0.9900 .
C144 H14K 0.9900 .
C145 C146 1.514(6) .
C145 H14L 0.9900 .
C145 H14M 0.9900 .
C146 H14N 0.9800 .
C146 H14O 0.9800 .
C146 H14P 0.9800 .
C147 C148 1.535(6) .
C147 H14Q 0.9900 .
C147 H14R 0.9900 .
C148 C149 1.526(6) .
C148 H14S 0.9900 .
C148 H14T 0.9900 .
C149 C150 1.507(6) .
C149 H14U 0.9900 .
C149 H14V 0.9900 .
C150 C151 1.534(7) .
C150 H15A 0.9900 .
C150 H15B 0.9900 .
C151 C152 1.498(7) .
C151 H15C 0.9900 .
C151 H15D 0.9900 .
C152 H15E 0.9800 .
C152 H15F 0.9800 .
C152 H15G 0.9800 .
C153 C154 1.529(5) .
C153 H15H 0.9900 .
C153 H15I 0.9900 .
C154 C155 1.518(5) .
C154 H15J 0.9900 .
C154 H15K 0.9900 .
C155 C156 1.532(6) .
C155 H15L 0.9900 .
C155 H15M 0.9900 .
C156 C157 1.510(7) .
C156 H15N 0.9900 .
C156 H15O 0.9900 .
C157 C158 1.523(7) .
C157 H15P 0.9900 .
C157 H15Q 0.9900 .
C158 H15R 0.9800 .
C158 H15S 0.9800 .
C158 H15T 0.9800 .
C159 C160 1.515(5) .
C159 H15U 0.9900 .
C159 H15V 0.9900 .
C160 C161 1.539(5) .
C160 H16A 0.9900 .
C160 H16B 0.9900 .
C161 C162 1.509(5) .
C161 H16C 0.9900 .
C161 H16D 0.9900 .
C162 C163 1.530(5) .
C162 H16E 0.9900 .
C162 H16F 0.9900 .
C163 C164 1.545(6) .
C163 H16G 0.9900 .
C163 H16H 0.9900 .
C164 H16I 0.9800 .
C164 H16J 0.9800 .
C164 H16K 0.9800 .
N1 Zn1 2.053(3) .
N2 Zn1 2.067(3) .
N3 Zn1 2.056(3) .
N4 Zn1 2.058(3) .
N5 Zn2 2.067(3) .
N6 Zn2 2.052(3) .
N7 Zn2 2.072(3) .
N8 Zn2 2.050(3) .
O2 Zn2 2.207(2) .
O10 Zn1 2.190(2) 1_655
O15 C129 1.4193(10) .
O15 C229 1.4202(10) .
O16 C130 1.417(5) .
Zn1 O10 2.190(2) 1_455
C129 C130 1.5009(10) .
C129 H29C 0.9900 .
C129 H29D 0.9900 .
C130 H30C 0.9900 .
C130 H30D 0.9900 .
C74A C75A 1.5394(10) .
C74A H74A 0.9900 .
C74A H74B 0.9900 .
C75A C76A 1.5410(10) .
C75A H75A 0.9900 .
C75A H75B 0.9900 .
C76A H76A 0.9800 .
C76A H76B 0.9800 .
C76A H76C 0.9800 .
C229 H29E 0.9900 .
C229 H29F 0.9900 .
C75B H75C 0.9900 .
C75B H75D 0.9900 .
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_4
N1 C1 C2 C3 -12.9(5) .
C20 C1 C2 C3 167.2(3) .
N1 C1 C2 C54 161.4(3) .
C20 C1 C2 C54 -18.6(5) .
C1 C2 C3 N2 4.9(5) .
C54 C2 C3 N2 -169.3(3) .
C1 C2 C3 C4 -173.0(3) .
C54 C2 C3 C4 12.8(5) .
N2 C3 C4 C5 -1.2(4) .
C2 C3 C4 C5 176.9(3) .
N2 C3 C4 C56 -179.7(3) .
C2 C3 C4 C56 -1.5(6) .
C3 C4 C5 C6 1.9(4) .
C56 C4 C5 C6 -179.5(3) .
C3 C4 C5 C65 -176.6(3) .
C56 C4 C5 C65 1.9(6) .
C4 C5 C6 N2 -2.1(4) .
C65 C5 C6 N2 176.5(3) .
C4 C5 C6 C7 175.4(3) .
C65 C5 C6 C7 -6.0(5) .
N2 C6 C7 C8 7.6(6) .
C5 C6 C7 C8 -169.5(3) .
C6 C7 C8 N3 -0.8(6) .
C6 C7 C8 C9 172.0(3) .
N3 C8 C9 C10 4.4(4) .
C7 C8 C9 C10 -169.3(3) .
N3 C8 C9 C71 -173.7(3) .
C7 C8 C9 C71 12.6(5) .
C8 C9 C10 C11 -4.2(3) .
C71 C9 C10 C11 173.8(3) .
C8 C9 C10 C57 175.6(3) .
C71 C9 C10 C57 -6.4(5) .
C9 C10 C11 N3 2.8(4) .
C57 C10 C11 N3 -177.0(3) .
C9 C10 C11 C12 -174.4(3) .
C57 C10 C11 C12 5.8(5) .
N3 C11 C12 C13 -5.9(5) .
C10 C11 C12 C13 170.9(3) .
N3 C11 C12 C21 172.6(3) .
C10 C11 C12 C21 -10.5(5) .
C11 C12 C13 N4 8.0(5) .
C21 C12 C13 N4 -170.6(3) .
C11 C12 C13 C14 -171.2(3) .
C21 C12 C13 C14 10.3(5) .
N4 C13 C14 C15 -0.5(4) .
C12 C13 C14 C15 178.7(3) .
N4 C13 C14 C58 -176.6(3) .
C12 C13 C14 C58 2.6(6) .
C13 C14 C15 C16 0.5(3) .
C58 C14 C15 C16 177.0(3) .
C13 C14 C15 C77 -178.8(3) .
C58 C14 C15 C77 -2.3(5) .
C14 C15 C16 N4 -0.4(4) .
C77 C15 C16 N4 179.0(3) .
C14 C15 C16 C17 179.4(3) .
C77 C15 C16 C17 -1.3(5) .
N4 C16 C17 C18 3.4(6) .
C15 C16 C17 C18 -176.3(3) .
C16 C17 C18 N1 0.9(6) .
C16 C17 C18 C19 176.5(3) .
N1 C18 C19 C20 2.2(4) .
C17 C18 C19 C20 -174.0(3) .
N1 C18 C19 C59 -175.4(3) .
C17 C18 C19 C59 8.4(5) .
C18 C19 C20 C1 -0.7(4) .
C59 C19 C20 C1 176.7(3) .
C18 C19 C20 C55 -179.3(3) .
C59 C19 C20 C55 -1.9(6) .
N1 C1 C20 C19 -0.9(4) .
C2 C1 C20 C19 179.1(3) .
N1 C1 C20 C55 177.6(3) .
C2 C1 C20 C55 -2.4(6) .
C11 C12 C21 C22 -94.9(4) .
C13 C12 C21 C22 83.8(4) .
C11 C12 C21 C26 87.7(4) .
C13 C12 C21 C26 -93.6(4) .
C26 C21 C22 C23 2.2(5) .
C12 C21 C22 C23 -175.2(3) .
C21 C22 C23 C24 -0.2(5) .
C22 C23 C24 C25 -1.6(6) .
C23 C24 C25 C26 1.2(6) .
C24 C25 C26 O8 179.0(4) .
C24 C25 C26 C21 0.8(6) .
C22 C21 C26 O8 179.1(3) .
C12 C21 C26 O8 -3.5(5) .
C22 C21 C26 C25 -2.5(5) .
C12 C21 C26 C25 174.8(3) .
O8 C27 C28 O7 -168.1(4) .
O7 C29 C30 O6 173.9(3) .
O6 C31 C32 O5 63.8(4) .
O5 C33 C34 C35 179.7(3) .
C38 C33 C34 C35 1.1(6) .
C33 C34 C35 C36 0.3(6) .
C34 C35 C36 C37 -1.5(6) .
C35 C36 C37 C42 -177.6(3) .
C35 C36 C37 C38 1.4(5) .
C36 C37 C38 C39 -179.2(3) .
C42 C37 C38 C39 -0.2(5) .
C36 C37 C38 C33 0.0(5) .
C42 C37 C38 C33 178.9(3) .
C34 C33 C38 C39 178.0(3) .
O5 C33 C38 C39 -0.8(5) .
C34 C33 C38 C37 -1.2(5) .
O5 C33 C38 C37 -180.0(3) .
C37 C38 C39 C40 2.1(5) .
C33 C38 C39 C40 -177.0(3) .
C38 C39 C40 C41 -1.8(6) .
C39 C40 C41 C42 -0.5(6) .
C40 C41 C42 O4 -178.8(3) .
C40 C41 C42 C37 2.4(5) .
C36 C37 C42 O4 -2.0(5) .
C38 C37 C42 O4 179.0(3) .
C36 C37 C42 C41 176.9(3) .
C38 C37 C42 C41 -2.1(5) .
O4 C43 C44 O3 61.6(4) .
O3 C45 C46 O2 -67.5(4) .
O2 C47 C48 O1 -79.7(3) .
O1 C49 C50 C51 179.5(3) .
C54 C49 C50 C51 -0.2(5) .
C49 C50 C51 C52 -0.1(6) .
C50 C51 C52 C53 0.4(7) .
C51 C52 C53 C54 -0.5(7) .
C52 C53 C54 C49 0.3(6) .
C52 C53 C54 C2 179.7(4) .
O1 C49 C54 C53 -179.6(3) .
C50 C49 C54 C53 0.1(5) .
O1 C49 C54 C2 1.0(5) .
C50 C49 C54 C2 -179.3(3) .
C3 C2 C54 C53 91.3(4) .
C1 C2 C54 C53 -83.3(4) .
C3 C2 C54 C49 -89.3(4) .
C1 C2 C54 C49 96.1(4) .
C20 C19 C59 C60 -98.0(4) .
C18 C19 C59 C60 79.1(4) .
C19 C59 C60 C61 -161.7(3) .
C59 C60 C61 C62 74.8(5) .
C60 C61 C62 C63 -176.1(4) .
C61 C62 C63 C64 -68.1(6) .
C4 C5 C65 C66 100.0(5) .
C6 C5 C65 C66 -78.3(5) .
C5 C65 C66 C67 -176.9(4) .
C65 C66 C67 C68 84.4(7) .
C66 C67 C68 C69 177.6(6) .
C67 C68 C69 C70 -175.5(7) .
C10 C9 C71 C72 -98.6(4) .
C8 C9 C71 C72 79.1(4) .
C9 C71 C72 C73 65.1(4) .
C71 C72 C73 C74A 177.9(4) .
C14 C15 C77 C78 89.1(4) .
C16 C15 C77 C78 -90.1(4) .
C15 C77 C78 C79 -174.2(3) .
C77 C78 C79 C80 66.2(6) .
C78 C79 C80 C81 49.8(7) .
C79 C80 C81 C82 72.0(7) .
N5 C83 C84 C85 5.2(5) .
C102 C83 C84 C85 179.9(3) .
N5 C83 C84 C103 -178.1(3) .
C102 C83 C84 C103 -3.4(5) .
C83 C84 C85 N6 10.2(5) .
C103 C84 C85 N6 -166.6(3) .
C83 C84 C85 C86 -172.5(3) .
C103 C84 C85 C86 10.7(5) .
N6 C85 C86 C87 4.3(4) .
C84 C85 C86 C87 -173.4(3) .
N6 C85 C86 C138 -168.6(3) .
C84 C85 C86 C138 13.8(5) .
C85 C86 C87 C88 -2.5(4) .
C138 C86 C87 C88 170.8(3) .
C85 C86 C87 C147 -178.2(3) .
C138 C86 C87 C147 -4.9(6) .
C86 C87 C88 N6 -0.1(4) .
C147 C87 C88 N6 175.7(3) .
C86 C87 C88 C89 179.7(3) .
C147 C87 C88 C89 -4.5(5) .
N6 C88 C89 C90 -9.0(5) .
C87 C88 C89 C90 171.2(3) .
C88 C89 C90 N7 -3.3(5) .
C88 C89 C90 C91 177.1(3) .
N7 C90 C91 C92 1.2(4) .
C89 C90 C91 C92 -179.2(3) .
N7 C90 C91 C153 -176.8(3) .
C89 C90 C91 C153 2.8(5) .
C90 C91 C92 C93 -2.3(3) .
C153 C91 C92 C93 175.5(3) .
C90 C91 C92 C139 176.4(3) .
C153 C91 C92 C139 -5.8(5) .
C91 C92 C93 N7 2.8(3) .
C139 C92 C93 N7 -175.8(3) .
C91 C92 C93 C94 -174.9(3) .
C139 C92 C93 C94 6.4(5) .
N7 C93 C94 C95 1.4(5) .
C92 C93 C94 C95 178.8(3) .
N7 C93 C94 C136 179.7(3) .
C92 C93 C94 C136 -2.9(5) .
C93 C94 C95 N8 13.1(5) .
C136 C94 C95 N8 -165.3(3) .
C93 C94 C95 C96 -168.5(3) .
C136 C94 C95 C96 13.1(5) .
N8 C95 C96 C97 0.9(4) .
C94 C95 C96 C97 -177.7(3) .
N8 C95 C96 C140 -174.0(3) .
C94 C95 C96 C140 7.5(5) .
C95 C96 C97 C98 0.6(4) .
C140 C96 C97 C98 175.8(3) .
C95 C96 C97 C159 -177.3(3) .
C140 C96 C97 C159 -2.1(6) .
C96 C97 C98 N8 -2.0(4) .
C159 C97 C98 N8 176.1(3) .
C96 C97 C98 C99 173.2(3) .
C159 C97 C98 C99 -8.7(5) .
N8 C98 C99 C100 -8.3(6) .
C97 C98 C99 C100 177.1(3) .
C98 C99 C100 N5 -9.9(6) .
C98 C99 C100 C101 174.9(3) .
N5 C100 C101 C102 -4.1(4) .
C99 C100 C101 C102 171.7(3) .
N5 C100 C101 C141 172.5(3) .
C99 C100 C101 C141 -11.7(5) .
C100 C101 C102 C83 2.3(3) .
C141 C101 C102 C83 -173.9(3) .
C100 C101 C102 C137 -173.1(3) .
C141 C101 C102 C137 10.6(5) .
N5 C83 C102 C101 0.1(3) .
C84 C83 C102 C101 -175.1(3) .
N5 C83 C102 C137 175.1(3) .
C84 C83 C102 C137 -0.1(5) .
C85 C84 C103 C104 80.6(4) .
C83 C84 C103 C104 -96.4(4) .
C85 C84 C103 C108 -100.6(4) .
C83 C84 C103 C108 82.4(4) .
C108 C103 C104 C105 1.1(5) .
C84 C103 C104 C105 -180.0(3) .
C103 C104 C105 C106 -0.3(6) .
C104 C105 C106 C107 0.0(6) .
C105 C106 C107 C108 -0.6(6) .
C106 C107 C108 O9 179.8(3) .
C106 C107 C108 C103 1.5(5) .
C104 C103 C108 O9 179.8(3) .
C84 C103 C108 O9 1.0(4) .
C104 C103 C108 C107 -1.7(5) .
C84 C103 C108 C107 179.4(3) .
O9 C109 C110 O10 -77.5(3) .
O10 C111 C112 O11 -68.7(4) .
O11 C113 C114 O12 59.9(4) .
O12 C115 C116 C117 179.8(4) .
C120 C115 C116 C117 0.3(6) .
C115 C116 C117 C118 0.6(6) .
C116 C117 C118 C119 0.6(7) .
C117 C118 C119 C124 174.5(4) .
C117 C118 C119 C120 -2.6(6) .
C118 C119 C120 C121 -179.5(4) .
C124 C119 C120 C121 3.2(6) .
C118 C119 C120 C115 3.4(6) .
C124 C119 C120 C115 -173.9(4) .
O12 C115 C120 C121 1.1(5) .
C116 C115 C120 C121 -179.3(4) .
O12 C115 C120 C119 178.1(3) .
C116 C115 C120 C119 -2.3(6) .
C119 C120 C121 C122 -1.9(6) .
C115 C120 C121 C122 175.1(4) .
C120 C121 C122 C123 -1.1(6) .
C121 C122 C123 C124 2.8(7) .
C122 C123 C124 O13 178.1(4) .
C122 C123 C124 C119 -1.4(7) .
C118 C119 C124 C123 -178.8(4) .
C120 C119 C124 C123 -1.6(6) .
C118 C119 C124 O13 1.7(6) .
C120 C119 C124 O13 178.9(3) .
O13 C125 C126 O14 -68.4(5) .
O14 C127 C128 O15 76.6(7) .
O16 C131 C132 C133 -179.5(4) .
C136 C131 C132 C133 2.0(6) .
C131 C132 C133 C134 0.9(6) .
C132 C133 C134 C135 -2.6(6) .
C133 C134 C135 C136 1.5(5) .
C134 C135 C136 C131 1.3(5) .
C134 C135 C136 C94 -175.4(3) .
O16 C131 C136 C135 178.3(3) .
C132 C131 C136 C135 -3.0(5) .
O16 C131 C136 C94 -5.1(5) .
C132 C131 C136 C94 173.6(3) .
C95 C94 C136 C135 74.6(4) .
C93 C94 C136 C135 -103.9(4) .
C95 C94 C136 C131 -102.0(4) .
C93 C94 C136 C131 79.6(4) .
C102 C101 C141 C142 105.0(4) .
C100 C101 C141 C142 -70.8(4) .
C101 C141 C142 C143 170.6(3) .
C141 C142 C143 C144 179.7(3) .
C142 C143 C144 C145 -176.2(3) .
C143 C144 C145 C146 -179.2(4) .
C86 C87 C147 C148 83.6(4) .
C88 C87 C147 C148 -91.3(4) .
C87 C147 C148 C149 81.1(4) .
C147 C148 C149 C150 -178.1(4) .
C148 C149 C150 C151 -175.0(4) .
C149 C150 C151 C152 179.3(5) .
C92 C91 C153 C154 -93.5(4) .
C90 C91 C153 C154 83.9(4) .
C91 C153 C154 C155 68.4(4) .
C153 C154 C155 C156 -179.0(3) .
C154 C155 C156 C157 -179.3(4) .
C155 C156 C157 C158 -179.8(5) .
C96 C97 C159 C160 -101.8(4) .
C98 C97 C159 C160 80.6(4) .
C97 C159 C160 C161 -165.2(3) .
C159 C160 C161 C162 176.1(3) .
C160 C161 C162 C163 -173.5(3) .
C161 C162 C163 C164 71.3(5) .
C17 C18 N1 C1 173.4(3) .
C19 C18 N1 C1 -2.8(4) .
C17 C18 N1 Zn1 -1.2(5) .
C19 C18 N1 Zn1 -177.4(2) .
C2 C1 N1 C18 -177.7(3) .
C20 C1 N1 C18 2.3(3) .
C2 C1 N1 Zn1 -3.4(4) .
C20 C1 N1 Zn1 176.6(2) .
C7 C6 N2 C3 -176.2(3) .
C5 C6 N2 C3 1.3(3) .
C7 C6 N2 Zn1 -12.4(4) .
C5 C6 N2 Zn1 165.1(2) .
C2 C3 N2 C6 -178.3(3) .
C4 C3 N2 C6 -0.1(3) .
C2 C3 N2 Zn1 18.3(4) .
C4 C3 N2 Zn1 -163.5(2) .
C7 C8 N3 C11 171.1(3) .
C9 C8 N3 C11 -2.5(3) .
C7 C8 N3 Zn1 0.0(4) .
C9 C8 N3 Zn1 -173.6(2) .
C12 C11 N3 C8 177.2(3) .
C10 C11 N3 C8 -0.1(3) .
C12 C11 N3 Zn1 -12.0(4) .
C10 C11 N3 Zn1 170.6(2) .
C12 C13 N4 C16 -178.9(3) .
C14 C13 N4 C16 0.3(3) .
C12 C13 N4 Zn1 8.2(5) .
C14 C13 N4 Zn1 -172.6(2) .
C17 C16 N4 C13 -179.7(3) .
C15 C16 N4 C13 0.0(3) .
C17 C16 N4 Zn1 -6.5(4) .
C15 C16 N4 Zn1 173.2(2) .
C99 C100 N5 C83 -171.7(3) .
C101 C100 N5 C83 4.1(3) .
C99 C100 N5 Zn2 21.6(4) .
C101 C100 N5 Zn2 -162.6(2) .
C84 C83 N5 C100 173.0(3) .
C102 C83 N5 C100 -2.6(3) .
C84 C83 N5 Zn2 -21.6(4) .
C102 C83 N5 Zn2 162.9(2) .
C89 C88 N6 C85 -177.0(3) .
C87 C88 N6 C85 2.8(3) .
C89 C88 N6 Zn2 5.0(4) .
C87 C88 N6 Zn2 -175.2(2) .
C84 C85 N6 C88 173.4(3) .
C86 C85 N6 C88 -4.3(3) .
C84 C85 N6 Zn2 -8.8(4) .
C86 C85 N6 Zn2 173.5(2) .
C89 C90 N7 C93 -179.0(3) .
C91 C90 N7 C93 0.6(3) .
C89 C90 N7 Zn2 16.8(4) .
C91 C90 N7 Zn2 -163.6(2) .
C94 C93 N7 C90 175.8(3) .
C92 C93 N7 C90 -2.1(3) .
C94 C93 N7 Zn2 -21.1(4) .
C92 C93 N7 Zn2 161.0(2) .
C99 C98 N8 C95 -172.7(3) .
C97 C98 N8 C95 2.5(3) .
C99 C98 N8 Zn2 10.7(5) .
C97 C98 N8 Zn2 -174.1(2) .
C94 C95 N8 C98 176.5(3) .
C96 C95 N8 C98 -2.1(3) .
C94 C95 N8 Zn2 -7.1(4) .
C96 C95 N8 Zn2 174.3(2) .
C50 C49 O1 C48 3.0(5) .
C54 C49 O1 C48 -177.3(3) .
C47 C48 O1 C49 172.4(3) .
C48 C47 O2 C46 81.8(3) .
C48 C47 O2 Zn2 -89.3(3) .
C45 C46 O2 C47 85.4(4) .
C45 C46 O2 Zn2 -103.6(3) .
C46 C45 O3 C44 -74.8(4) .
C43 C44 O3 C45 -175.8(3) .
C41 C42 O4 C43 9.8(5) .
C37 C42 O4 C43 -171.4(3) .
C44 C43 O4 C42 74.5(4) .
C34 C33 O5 C32 -5.1(5) .
C38 C33 O5 C32 173.6(3) .
C31 C32 O5 C33 178.2(3) .
C32 C31 O6 C30 -100.1(4) .
C29 C30 O6 C31 -177.1(3) .
C27 C28 O7 C29 -116.7(5) .
C30 C29 O7 C28 81.4(5) .
C25 C26 O8 C27 7.2(6) .
C21 C26 O8 C27 -174.6(3) .
C28 C27 O8 C26 78.1(5) .
C107 C108 O9 C109 11.2(5) .
C103 C108 O9 C109 -170.5(3) .
C110 C109 O9 C108 175.3(3) .
C109 C110 O10 C111 80.8(4) .
C109 C110 O10 Zn1 -104.2(3) 1_655
C112 C111 O10 C110 80.1(4) .
C112 C111 O10 Zn1 -94.9(3) 1_655
C111 C112 O11 C113 -80.8(4) .
C114 C113 O11 C112 170.2(3) .
C116 C115 O12 C114 17.0(5) .
C120 C115 O12 C114 -163.4(3) .
C113 C114 O12 C115 66.9(4) .
C123 C124 O13 C125 18.6(6) .
C119 C124 O13 C125 -161.9(4) .
C126 C125 O13 C124 174.2(4) .
C125 C126 O14 C127 -178.3(4) .
C128 C127 O14 C126 -162.3(5) .
C127 C128 O15 C129 -102.4(8) .
C127 C128 O15 C229 -61.3(11) .
C132 C131 O16 C130 27.4(6) .
C136 C131 O16 C130 -154.0(3) .
C18 N1 Zn1 N3 -85.8(5) .
C1 N1 Zn1 N3 100.8(5) .
C18 N1 Zn1 N4 -1.2(3) .
C1 N1 Zn1 N4 -174.6(3) .
C18 N1 Zn1 N2 -169.4(3) .
C1 N1 Zn1 N2 17.2(3) .
C18 N1 Zn1 O10 94.9(3) 1_455
C1 N1 Zn1 O10 -78.5(3) 1_455
C8 N3 Zn1 N1 -86.3(5) .
C11 N3 Zn1 N1 104.5(5) .
C8 N3 Zn1 N4 -171.5(2) .
C11 N3 Zn1 N4 19.3(3) .
C8 N3 Zn1 N2 -3.3(2) .
C11 N3 Zn1 N2 -172.5(3) .
C8 N3 Zn1 O10 93.0(2) 1_455
C11 N3 Zn1 O10 -76.2(3) 1_455
C13 N4 Zn1 N1 176.5(3) .
C16 N4 Zn1 N1 4.8(3) .
C13 N4 Zn1 N3 -17.6(3) .
C16 N4 Zn1 N3 170.8(3) .
C13 N4 Zn1 N2 -101.4(5) .
C16 N4 Zn1 N2 87.0(6) .
C13 N4 Zn1 O10 77.0(3) 1_455
C16 N4 Zn1 O10 -94.6(3) 1_455
C6 N2 Zn1 N1 175.1(3) .
C3 N2 Zn1 N1 -24.1(3) .
C6 N2 Zn1 N3 9.1(3) .
C3 N2 Zn1 N3 169.8(3) .
C6 N2 Zn1 N4 92.4(5) .
C3 N2 Zn1 N4 -106.8(5) .
C6 N2 Zn1 O10 -86.0(3) 1_455
C3 N2 Zn1 O10 74.8(3) 1_455
C98 N8 Zn2 N6 84.1(4) .
C95 N8 Zn2 N6 -91.7(4) .
C98 N8 Zn2 N5 -0.1(3) .
C95 N8 Zn2 N5 -176.0(3) .
C98 N8 Zn2 N7 169.3(3) .
C95 N8 Zn2 N7 -6.6(3) .
C98 N8 Zn2 O2 -97.0(3) .
C95 N8 Zn2 O2 87.1(3) .
C88 N6 Zn2 N8 89.4(4) .
C85 N6 Zn2 N8 -88.1(4) .
C88 N6 Zn2 N5 174.5(2) .
C85 N6 Zn2 N5 -3.0(3) .
C88 N6 Zn2 N7 5.1(2) .
C85 N6 Zn2 N7 -172.4(3) .
C88 N6 Zn2 O2 -89.5(2) .
C85 N6 Zn2 O2 93.1(3) .
C100 N5 Zn2 N8 -14.8(2) .
C83 N5 Zn2 N8 -178.2(3) .
C100 N5 Zn2 N6 -178.7(2) .
C83 N5 Zn2 N6 17.9(3) .
C100 N5 Zn2 N7 -96.1(6) .
C83 N5 Zn2 N7 100.4(6) .
C100 N5 Zn2 O2 85.6(2) .
C83 N5 Zn2 O2 -77.9(3) .
C90 N7 Zn2 N8 -179.1(2) .
C93 N7 Zn2 N8 20.2(2) .
C90 N7 Zn2 N6 -15.2(2) .
C93 N7 Zn2 N6 -175.9(2) .
C90 N7 Zn2 N5 -97.2(6) .
C93 N7 Zn2 N5 102.1(6) .
C90 N7 Zn2 O2 81.1(2) .
C93 N7 Zn2 O2 -79.6(2) .
C47 O2 Zn2 N8 -34.5(2) .
C46 O2 Zn2 N8 154.9(2) .
C47 O2 Zn2 N6 145.2(2) .
C46 O2 Zn2 N6 -25.4(2) .
C47 O2 Zn2 N5 -127.7(2) .
C46 O2 Zn2 N5 61.6(2) .
C47 O2 Zn2 N7 52.6(2) .
C46 O2 Zn2 N7 -118.1(2) .
C229 O15 C129 C130 61.8(6) .
C128 O15 C129 C130 170.3(6) .
C131 O16 C130 C129 -93.7(6) .
O15 C129 C130 O16 151.1(7) .
C72 C73 C74A C75A -102.1(10) .
C73 C74A C75A C76A -152.6(8) .
