#------------------------------------------------------------------------------
#$Date: 2016-03-26 04:00:09 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180205 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/99/7109995.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_7109995
loop_
_publ_author_name
'Piotr Sobota'
'Rafal Petrus'
'Karolina Zelga'
'Lukasz Makolski'
'Dominik Kubicki'
'Janusz Lewinski'
_publ_section_title
;
 Probing secondary coordination sphere influence on the oxygenation of
 zinc alkyls: formation of a unique zinc peroxide species
;
_journal_name_full               Chem.Commun.
_journal_page_first              10477
_journal_paper_doi               10.1039/c3cc46206d
_journal_volume                  49
_journal_year                    2013
_chemical_formula_moiety
'C96 H78 O16 Zn8, 2(C12 H10 O),  2.42(C H2 Cl2)'
_chemical_formula_sum            'C122.42 H102.84 Cl4.84 O18 Zn8'
_chemical_formula_weight         2556.32
_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                91.26(2)
_cell_angle_beta                 91.15(3)
_cell_angle_gamma                94.10(3)
_cell_formula_units_Z            6
_cell_length_a                   17.903(3)
_cell_length_b                   22.986(4)
_cell_length_c                   39.788(5)
_cell_measurement_reflns_used    55866
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      36.5500
_cell_measurement_theta_min      2.9050
_cell_volume                     16324(4)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2007)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2007)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2007)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'KUMA KM4 CCD κ-geometry diffractometer'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0552
_diffrn_reflns_av_sigmaI/netI    0.0885
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       55
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            261959
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         2.88
_exptl_absorpt_coefficient_mu    1.919
_exptl_absorpt_correction_T_max  0.771
_exptl_absorpt_correction_T_min  0.474
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Analytical numeric absorption correction using a multifaceted crystal
            model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             7821.5
_exptl_crystal_size_max          0.5440
_exptl_crystal_size_mid          0.3578
_exptl_crystal_size_min          0.1457
_refine_diff_density_max         2.653
_refine_diff_density_min         -1.489
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     4255
_refine_ls_number_reflns         91751
_refine_ls_number_restraints     82
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.1402
_refine_ls_R_factor_gt           0.0635
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0886P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1592
_refine_ls_wR_factor_ref         0.1858
_reflns_number_gt                45332
_reflns_number_total             91751
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c3cc46206d.txt
_cod_data_source_block           rp12abs
_cod_database_code               7109995
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
C1A C 0.1076(5) 0.2738(4) 0.9509(2) 0.106(3) Uani 1 1 d D . .
H1A H 0.0725 0.3030 0.9440 0.127 Uiso 1 1 calc R . .
H1B H 0.0842 0.2512 0.9693 0.127 Uiso 1 1 calc R . .
Cl1 Cl 0.18827(12) 0.30988(10) 0.96605(6) 0.0818(6) Uani 1 1 d D . .
Cl2 Cl 0.11969(13) 0.22595(11) 0.91643(6) 0.0974(8) Uani 1 1 d D . .
C2A C 0.0343(7) 0.1671(9) 0.8261(4) 0.259(12) Uani 1 1 d . . .
H2A H 0.0044 0.1320 0.8172 0.310 Uiso 1 1 calc R . .
H2B H 0.0149 0.1753 0.8487 0.310 Uiso 1 1 calc R . .
Cl3 Cl 0.0126(3) 0.21822(17) 0.80385(11) 0.1845(19) Uani 1 1 d . . .
Cl4 Cl 0.1202(2) 0.14659(17) 0.83238(10) 0.1641(15) Uani 1 1 d . . .
C3A C 0.1252(9) 0.2403(6) 0.6339(3) 0.135(6) Uani 0.877(5) 1 d P A 1
H3A H 0.1189 0.2098 0.6509 0.161 Uiso 0.877(5) 1 calc PR A 1
H3B H 0.0765 0.2578 0.6310 0.161 Uiso 0.877(5) 1 calc PR A 1
Cl5 Cl 0.1465(3) 0.21013(15) 0.59841(8) 0.1507(19) Uani 0.877(5) 1 d P A 1
Cl6 Cl 0.1908(2) 0.29336(13) 0.64851(7) 0.1050(12) Uani 0.877(5) 1 d P A 1
C4A C -0.0753(9) 0.3354(7) 0.6791(4) 0.100(5) Uiso 0.618(6) 1 d P B 1
H4A H -0.0612 0.3616 0.6987 0.120 Uiso 0.618(6) 1 calc PR B 1
H4B H -0.1306 0.3341 0.6768 0.120 Uiso 0.618(6) 1 calc PR B 1
Cl7 Cl -0.0516(3) 0.2623(2) 0.69052(11) 0.1107(19) Uiso 0.618(6) 1 d P B 1
Cl8 Cl -0.0373(5) 0.3719(4) 0.6416(2) 0.194(4) Uiso 0.618(6) 1 d P B 1
C5A C 0.0157(13) 0.2723(9) 0.6373(6) 0.026(5) Uiso 0.211(5) 1 d P C 2
H5A H 0.0366 0.2698 0.6145 0.032 Uiso 0.211(5) 1 calc PR C 2
H5B H 0.0576 0.2774 0.6540 0.032 Uiso 0.211(5) 1 calc PR C 2
Cl9 Cl -0.0385(8) 0.2145(6) 0.6449(3) 0.110(5) Uiso 0.211(5) 1 d P C 2
Cl10 Cl -0.0473(5) 0.3337(4) 0.6407(2) 0.063(3) Uiso 0.211(5) 1 d P C 2
C6A C -0.0397(6) 0.1965(8) 0.1368(4) 0.071(5) Uiso 0.483(5) 1 d PD D 1
H6A H -0.0426 0.1778 0.1590 0.085 Uiso 0.483(5) 1 calc PR D 1
H6B H -0.0447 0.2382 0.1424 0.085 Uiso 0.483(5) 1 calc PR D 1
Cl11 Cl -0.1180(3) 0.1826(2) 0.12671(12) 0.0829(17) Uiso 0.483(5) 1 d PD D 1
Cl12 Cl 0.0441(3) 0.2007(2) 0.13502(13) 0.0959(19) Uiso 0.483(5) 1 d PD D 1
C8A C 0.926(3) 0.8128(16) 0.7429(5) 0.17(2) Uiso 0.265(7) 1 d PD E 1
H8A H 0.9033 0.8464 0.7326 0.198 Uiso 0.265(7) 1 calc PR E 1
H8B H 0.9787 0.8139 0.7358 0.198 Uiso 0.265(7) 1 calc PR E 1
Cl15 Cl 0.8833(6) 0.7541(5) 0.7272(2) 0.079(3) Uiso 0.265(7) 1 d PD E 1
Cl16 Cl 0.9267(5) 0.8238(4) 0.7859(3) 0.080(3) Uiso 0.265(7) 1 d PD E 1
C7A C 0.0403(19) 0.1870(14) 0.1717(9) 0.153(12) Uiso 0.418(7) 1 d P F 2
H7A H 0.0262 0.1857 0.1956 0.183 Uiso 0.418(7) 1 calc PR F 2
H7B H 0.0883 0.2110 0.1707 0.183 Uiso 0.418(7) 1 calc PR F 2
Cl13 Cl 0.0557(8) 0.1186(6) 0.1588(4) 0.244(7) Uiso 0.418(7) 1 d P F 2
Cl14 Cl -0.0220(5) 0.2203(4) 0.1518(2) 0.123(3) Uiso 0.418(7) 1 d P F 2
C9A C 0.9340(8) 0.7676(7) 0.7273(4) 0.045(4) Uiso 0.368(8) 1 d PD G 2
H9A H 0.9467 0.7964 0.7099 0.054 Uiso 0.368(8) 1 calc PR G 2
H9B H 0.9766 0.7427 0.7297 0.054 Uiso 0.368(8) 1 calc PR G 2
Cl17 Cl 0.8595(4) 0.7264(3) 0.7145(2) 0.087(3) Uiso 0.368(8) 1 d PD G 2
Cl18 Cl 0.9234(4) 0.8057(3) 0.7663(2) 0.091(3) Uiso 0.368(8) 1 d PD G 2
C10A C 0.9229(8) 0.7409(6) 0.7122(4) 0.038(4) Uiso 0.367(6) 1 d PD H 3
H10A H 0.9501 0.7655 0.6957 0.046 Uiso 0.367(6) 1 calc PR H 3
H10B H 0.9594 0.7156 0.7223 0.046 Uiso 0.367(6) 1 calc PR H 3
Cl19 Cl 0.8597(4) 0.6990(3) 0.69165(19) 0.096(3) Uiso 0.367(6) 1 d PD H 3
Cl20 Cl 0.8938(4) 0.7872(3) 0.74429(18) 0.081(2) Uiso 0.367(6) 1 d PD H 3
Zn1 Zn 0.30121(3) 0.51466(2) 0.830751(13) 0.02203(12) Uani 1 1 d . . .
Zn2 Zn 0.42949(3) 0.41842(2) 0.838961(12) 0.01931(11) Uani 1 1 d . . .
Zn3 Zn 0.45189(3) 0.53918(2) 0.782467(12) 0.01941(11) Uani 1 1 d . . .
Zn4 Zn 0.45582(3) 0.56471(2) 0.873360(12) 0.01893(11) Uani 1 1 d . . .
Zn5 Zn 0.59447(3) 0.58945(2) 0.827342(12) 0.01884(11) Uani 1 1 d . . .
Zn6 Zn 0.57258(3) 0.46770(2) 0.882496(12) 0.01792(11) Uani 1 1 d . . .
Zn7 Zn 0.56940(3) 0.44563(2) 0.792438(12) 0.01873(11) Uani 1 1 d . . .
Zn8 Zn 0.72383(3) 0.49523(2) 0.835184(13) 0.02088(11) Uani 1 1 d . . .
O1 O 0.19888(19) 0.53176(16) 0.82928(8) 0.0339(8) Uani 1 1 d . . .
O2 O 0.32804(18) 0.43413(14) 0.83155(8) 0.0265(7) Uani 1 1 d D . .
H2' H 0.298(2) 0.4070(16) 0.8242(13) 0.040 Uiso 1 1 d D . .
O3 O 0.35091(19) 0.54776(15) 0.79171(8) 0.0274(7) Uani 1 1 d D . .
H3' H 0.325(3) 0.560(2) 0.7759(9) 0.041 Uiso 1 1 d D . .
O4 O 0.3508(2) 0.55086(15) 0.87025(8) 0.0303(8) Uani 1 1 d D . .
H4' H 0.327(3) 0.562(2) 0.8870(9) 0.045 Uiso 1 1 d D . .
O5 O 0.46960(17) 0.50672(12) 0.83195(7) 0.0189(6) Uani 1 1 d . . .
O6 O 0.55425(16) 0.50197(12) 0.83365(7) 0.0179(6) Uani 1 1 d . . .
O7 O 0.47637(18) 0.42001(13) 0.88401(7) 0.0232(7) Uani 1 1 d . . .
O8 O 0.51049(18) 0.38222(13) 0.81507(7) 0.0241(7) Uani 1 1 d . . .
O9 O 0.48802(18) 0.46724(13) 0.76246(7) 0.0231(7) Uani 1 1 d . . .
O10 O 0.54744(18) 0.58767(13) 0.78212(7) 0.0234(7) Uani 1 1 d . . .
O11 O 0.51455(18) 0.62786(13) 0.85085(7) 0.0236(7) Uani 1 1 d . . .
O12 O 0.53693(18) 0.53969(13) 0.90219(7) 0.0238(7) Uani 1 1 d . . .
O13 O 0.69496(18) 0.57510(14) 0.83611(8) 0.0265(7) Uani 1 1 d D . .
H13' H 0.724(2) 0.5976(19) 0.8480(11) 0.040 Uiso 1 1 d D . .
O14 O 0.67232(18) 0.45768(14) 0.87280(8) 0.0249(7) Uani 1 1 d D . .
H14' H 0.702(2) 0.439(2) 0.8840(11) 0.037 Uiso 1 1 d D . .
O15 O 0.67370(18) 0.46265(14) 0.79428(7) 0.0246(7) Uani 1 1 d D . .
H15' H 0.694(3) 0.458(2) 0.7756(6) 0.037 Uiso 1 1 d D . .
O16 O 0.82696(19) 0.48080(15) 0.83639(8) 0.0311(8) Uani 1 1 d . . .
C1 C 0.1722(3) 0.5699(2) 0.85136(12) 0.0322(12) Uani 1 1 d . . .
C2 C 0.1957(3) 0.6290(3) 0.85184(14) 0.0384(13) Uani 1 1 d . . .
H2 H 0.2346 0.6424 0.8374 0.046 Uiso 1 1 calc R . .
C3 C 0.1641(3) 0.6685(3) 0.87264(15) 0.0455(15) Uani 1 1 d . . .
H3 H 0.1812 0.7086 0.8725 0.055 Uiso 1 1 calc R . .
C4 C 0.1074(3) 0.6496(3) 0.89367(15) 0.0432(14) Uani 1 1 d . . .
H4 H 0.0846 0.6769 0.9077 0.052 Uiso 1 1 calc R . .
C5 C 0.0840(3) 0.5913(2) 0.89425(13) 0.0368(13) Uani 1 1 d . . .
H5 H 0.0446 0.5786 0.9086 0.044 Uiso 1 1 calc R . .
C6 C 0.1176(3) 0.5503(2) 0.87393(12) 0.0294(11) Uani 1 1 d . . .
C7 C 0.0952(3) 0.4865(2) 0.87579(12) 0.0300(11) Uani 1 1 d . . .
C8 C 0.0219(3) 0.4645(2) 0.86949(13) 0.0367(13) Uani 1 1 d . . .
H8 H -0.0156 0.4904 0.8644 0.044 Uiso 1 1 calc R . .
C9 C 0.0030(4) 0.4052(3) 0.87058(16) 0.0524(16) Uani 1 1 d . . .
H9 H -0.0474 0.3907 0.8663 0.063 Uiso 1 1 calc R . .
C10 C 0.0566(4) 0.3668(3) 0.87782(16) 0.0542(17) Uani 1 1 d . . .
H10 H 0.0434 0.3261 0.8782 0.065 Uiso 1 1 calc R . .
C11 C 0.1302(4) 0.3883(3) 0.88462(16) 0.0515(16) Uani 1 1 d . . .
H11 H 0.1673 0.3623 0.8898 0.062 Uiso 1 1 calc R . .
C12 C 0.1491(3) 0.4479(3) 0.88379(14) 0.0388(13) Uani 1 1 d . . .
H12 H 0.1992 0.4624 0.8887 0.047 Uiso 1 1 calc R . .
C13 C 0.4396(3) 0.41939(18) 0.91389(11) 0.0214(9) Uani 1 1 d . . .
C14 C 0.3622(3) 0.4228(2) 0.91426(12) 0.0262(10) Uani 1 1 d . . .
H14 H 0.3341 0.4236 0.8938 0.031 Uiso 1 1 calc R . .
C15 C 0.3264(3) 0.4250(2) 0.94504(12) 0.0311(11) Uani 1 1 d . . .
H15 H 0.2737 0.4279 0.9454 0.037 Uiso 1 1 calc R . .
C16 C 0.3667(3) 0.4231(2) 0.97508(12) 0.0300(11) Uani 1 1 d . . .
H16 H 0.3417 0.4242 0.9959 0.036 Uiso 1 1 calc R . .
C17 C 0.4437(3) 0.41975(19) 0.97450(11) 0.0260(11) Uani 1 1 d . . .
H17 H 0.4715 0.4192 0.9951 0.031 Uiso 1 1 calc R . .
C18 C 0.4810(3) 0.41720(19) 0.94404(11) 0.0211(9) Uani 1 1 d . . .
C19 C 0.5633(3) 0.41174(19) 0.94412(11) 0.0241(10) Uani 1 1 d . . .
C20 C 0.6106(3) 0.4521(2) 0.96212(12) 0.0325(12) Uani 1 1 d . . .
H20 H 0.5906 0.4843 0.9733 0.039 Uiso 1 1 calc R . .
C21 C 0.6888(3) 0.4453(2) 0.96394(13) 0.0377(13) Uani 1 1 d . . .
H21 H 0.7212 0.4736 0.9758 0.045 Uiso 1 1 calc R . .
C22 C 0.7176(3) 0.3985(2) 0.94888(13) 0.0370(13) Uani 1 1 d . . .
H22 H 0.7696 0.3935 0.9511 0.044 Uiso 1 1 calc R . .
C23 C 0.6717(3) 0.3581(2) 0.93032(13) 0.0349(12) Uani 1 1 d . . .
H23 H 0.6922 0.3258 0.9195 0.042 Uiso 1 1 calc R . .
C24 C 0.5944(3) 0.3653(2) 0.92768(11) 0.0264(10) Uani 1 1 d . . .
H24 H 0.5629 0.3382 0.9145 0.032 Uiso 1 1 calc R . .
C25 C 0.5424(3) 0.33649(19) 0.82967(11) 0.0236(10) Uani 1 1 d . . .
C26 C 0.6203(3) 0.3342(2) 0.83010(11) 0.0261(10) Uani 1 1 d . . .
H26 H 0.6506 0.3633 0.8191 0.031 Uiso 1 1 calc R . .
C27 C 0.6533(3) 0.2900(2) 0.84637(13) 0.0326(12) Uani 1 1 d . . .
H27 H 0.7062 0.2890 0.8464 0.039 Uiso 1 1 calc R . .
C28 C 0.6104(3) 0.2468(2) 0.86271(12) 0.0290(11) Uani 1 1 d . . .
H28 H 0.6335 0.2166 0.8740 0.035 Uiso 1 1 calc R . .
C29 C 0.5338(3) 0.24887(19) 0.86209(11) 0.0262(11) Uani 1 1 d . . .
H29 H 0.5042 0.2196 0.8732 0.031 Uiso 1 1 calc R . .
C30 C 0.4977(3) 0.29313(18) 0.84549(11) 0.0237(10) Uani 1 1 d . . .
C31 C 0.4145(3) 0.29230(19) 0.84479(12) 0.0291(11) Uani 1 1 d . . .
C32 C 0.3751(3) 0.2821(2) 0.87452(13) 0.0340(12) Uani 1 1 d . . .
H32 H 0.4018 0.2781 0.8951 0.041 Uiso 1 1 calc R . .
C33 C 0.2972(3) 0.2779(2) 0.87406(14) 0.0423(14) Uani 1 1 d . . .
H33 H 0.2712 0.2709 0.8943 0.051 Uiso 1 1 calc R . .
C34 C 0.2574(3) 0.2838(2) 0.84467(16) 0.0422(14) Uani 1 1 d . . .
H34 H 0.2042 0.2803 0.8445 0.051 Uiso 1 1 calc R . .
C35 C 0.2954(3) 0.2949(2) 0.81508(14) 0.0343(12) Uani 1 1 d . . .
H35 H 0.2681 0.2992 0.7947 0.041 Uiso 1 1 calc R . .
C36 C 0.3735(3) 0.2996(2) 0.81523(13) 0.0297(11) Uani 1 1 d . . .
H36 H 0.3990 0.3078 0.7950 0.036 Uiso 1 1 calc R . .
C37 C 0.4456(3) 0.42134(19) 0.74730(11) 0.0244(10) Uani 1 1 d . . .
C38 C 0.3680(3) 0.4188(2) 0.74778(12) 0.0280(11) Uani 1 1 d . . .
H38 H 0.3433 0.4505 0.7571 0.034 Uiso 1 1 calc R . .
C39 C 0.3258(3) 0.3691(2) 0.73445(12) 0.0314(11) Uani 1 1 d . . .
H39 H 0.2726 0.3672 0.7346 0.038 Uiso 1 1 calc R . .
C40 C 0.3625(3) 0.3230(2) 0.72107(11) 0.0290(11) Uani 1 1 d . . .
H40 H 0.3343 0.2891 0.7126 0.035 Uiso 1 1 calc R . .
C41 C 0.4399(3) 0.32610(19) 0.71997(11) 0.0261(11) Uani 1 1 d . . .
H41 H 0.4642 0.2944 0.7105 0.031 Uiso 1 1 calc R . .
C42 C 0.4831(3) 0.37568(19) 0.73266(11) 0.0246(10) Uani 1 1 d . . .
C43 C 0.5663(3) 0.3799(2) 0.73039(11) 0.0258(10) Uani 1 1 d . . .
C44 C 0.6077(3) 0.3357(2) 0.74230(12) 0.0300(11) Uani 1 1 d . . .
H44 H 0.5828 0.3026 0.7521 0.036 Uiso 1 1 calc R . .
C45 C 0.6858(3) 0.3392(2) 0.73999(13) 0.0389(13) Uani 1 1 d . . .
H45 H 0.7138 0.3090 0.7485 0.047 Uiso 1 1 calc R . .
C46 C 0.7222(3) 0.3875(2) 0.72512(13) 0.0378(13) Uani 1 1 d . . .
H46 H 0.7752 0.3901 0.7233 0.045 Uiso 1 1 calc R . .
C47 C 0.6809(3) 0.4315(2) 0.71303(12) 0.0332(12) Uani 1 1 d . . .
H47 H 0.7057 0.4642 0.7027 0.040 Uiso 1 1 calc R . .
C48 C 0.6045(3) 0.4284(2) 0.71583(11) 0.0298(11) Uani 1 1 d . . .
H48 H 0.5770 0.4594 0.7079 0.036 Uiso 1 1 calc R . .
C49 C 0.5868(3) 0.59161(19) 0.75275(11) 0.0218(10) Uani 1 1 d . . .
C50 C 0.6646(3) 0.5946(2) 0.75385(12) 0.0269(11) Uani 1 1 d . . .
H50 H 0.6904 0.5952 0.7750 0.032 Uiso 1 1 calc R . .
C51 C 0.7053(3) 0.5967(2) 0.72443(12) 0.0315(11) Uani 1 1 d . . .
H51 H 0.7585 0.5995 0.7254 0.038 Uiso 1 1 calc R . .
C52 C 0.6676(3) 0.5945(2) 0.69356(12) 0.0288(11) Uani 1 1 d . . .
H52 H 0.6947 0.5950 0.6733 0.035 Uiso 1 1 calc R . .
C53 C 0.5898(3) 0.59164(19) 0.69256(11) 0.0261(11) Uani 1 1 d . . .
H53 H 0.5643 0.5905 0.6714 0.031 Uiso 1 1 calc R . .
C54 C 0.5483(3) 0.59032(19) 0.72168(11) 0.0215(9) Uani 1 1 d . . .
C55 C 0.4655(3) 0.5904(2) 0.71940(11) 0.0249(10) Uani 1 1 d . . .
C56 C 0.4269(3) 0.6338(2) 0.73520(12) 0.0280(11) Uani 1 1 d . . .
H56 H 0.4536 0.6627 0.7491 0.034 Uiso 1 1 calc R . .
C57 C 0.3499(3) 0.6350(2) 0.73074(13) 0.0351(12) Uani 1 1 d . . .
H57 H 0.3247 0.6654 0.7411 0.042 Uiso 1 1 calc R . .
C58 C 0.3098(3) 0.5927(3) 0.71154(13) 0.0388(13) Uani 1 1 d . . .
H58 H 0.2570 0.5937 0.7088 0.047 Uiso 1 1 calc R . .
C59 C 0.3467(3) 0.5485(2) 0.69624(13) 0.0380(13) Uani 1 1 d . . .
H59 H 0.3194 0.5189 0.6831 0.046 Uiso 1 1 calc R . .
C60 C 0.4235(3) 0.5478(2) 0.70022(12) 0.0316(12) Uani 1 1 d . . .
H60 H 0.4483 0.5175 0.6896 0.038 Uiso 1 1 calc R . .
C61 C 0.4865(3) 0.67438(19) 0.83494(11) 0.0235(10) Uani 1 1 d . . .
C62 C 0.4094(3) 0.6773(2) 0.83099(11) 0.0266(11) Uani 1 1 d . . .
H62 H 0.3760 0.6487 0.8407 0.032 Uiso 1 1 calc R . .
C63 C 0.3813(3) 0.7222(2) 0.81267(12) 0.0331(12) Uani 1 1 d . . .
H63 H 0.3287 0.7235 0.8094 0.040 Uiso 1 1 calc R . .
C64 C 0.4292(3) 0.7648(2) 0.79925(12) 0.0312(12) Uani 1 1 d . . .
H64 H 0.4096 0.7953 0.7868 0.037 Uiso 1 1 calc R . .
C65 C 0.5053(3) 0.7633(2) 0.80393(11) 0.0281(11) Uani 1 1 d . . .
H65 H 0.5380 0.7932 0.7950 0.034 Uiso 1 1 calc R . .
C66 C 0.5357(3) 0.7179(2) 0.82189(11) 0.0256(10) Uani 1 1 d . . .
C67 C 0.6184(3) 0.71757(19) 0.82632(13) 0.0293(11) Uani 1 1 d . . .
C68 C 0.6641(3) 0.7279(2) 0.79945(14) 0.0380(13) Uani 1 1 d . . .
H68 H 0.6425 0.7342 0.7780 0.046 Uiso 1 1 calc R . .
C69 C 0.7415(4) 0.7292(3) 0.80332(17) 0.0510(17) Uani 1 1 d . . .
H69 H 0.7723 0.7346 0.7843 0.061 Uiso 1 1 calc R . .
C70 C 0.7735(3) 0.7227(2) 0.83433(17) 0.0463(15) Uani 1 1 d . . .
H70 H 0.8266 0.7256 0.8368 0.056 Uiso 1 1 calc R . .
C71 C 0.7301(3) 0.7120(2) 0.86198(15) 0.0385(13) Uani 1 1 d . . .
H71 H 0.7528 0.7063 0.8833 0.046 Uiso 1 1 calc R . .
C72 C 0.6524(3) 0.70956(19) 0.85815(13) 0.0304(11) Uani 1 1 d . . .
H72 H 0.6220 0.7025 0.8771 0.036 Uiso 1 1 calc R . .
C73 C 0.5803(3) 0.58171(19) 0.91988(11) 0.0227(10) Uani 1 1 d . . .
C74 C 0.6583(3) 0.5803(2) 0.92151(11) 0.0245(10) Uani 1 1 d . . .
H74 H 0.6817 0.5490 0.9110 0.029 Uiso 1 1 calc R . .
C75 C 0.7018(3) 0.6248(2) 0.93861(12) 0.0335(12) Uani 1 1 d . . .
H75 H 0.7548 0.6239 0.9393 0.040 Uiso 1 1 calc R . .
C76 C 0.6690(3) 0.6698(2) 0.95436(12) 0.0308(12) Uani 1 1 d . . .
H76 H 0.6989 0.6995 0.9664 0.037 Uiso 1 1 calc R . .
C77 C 0.5923(3) 0.67167(19) 0.95259(12) 0.0283(11) Uani 1 1 d . . .
H77 H 0.5702 0.7036 0.9630 0.034 Uiso 1 1 calc R . .
C78 C 0.5457(3) 0.62803(19) 0.93589(11) 0.0230(10) Uani 1 1 d . . .
C79 C 0.4625(3) 0.6296(2) 0.93523(11) 0.0252(10) Uani 1 1 d . . .
C80 C 0.4298(3) 0.6789(2) 0.92305(12) 0.0324(12) Uani 1 1 d . . .
H80 H 0.4602 0.7103 0.9143 0.039 Uiso 1 1 calc R . .
C81 C 0.3517(3) 0.6813(2) 0.92396(13) 0.0382(13) Uani 1 1 d . . .
H81 H 0.3293 0.7143 0.9154 0.046 Uiso 1 1 calc R . .
C82 C 0.3075(3) 0.6368(2) 0.93703(13) 0.0370(13) Uani 1 1 d . . .
H82 H 0.2549 0.6396 0.9380 0.044 Uiso 1 1 calc R . .
C83 C 0.3387(3) 0.5876(2) 0.94889(12) 0.0322(12) Uani 1 1 d . . .
H83 H 0.3078 0.5567 0.9578 0.039 Uiso 1 1 calc R . .
C84 C 0.4162(3) 0.5840(2) 0.94755(11) 0.0269(11) Uani 1 1 d . . .
H84 H 0.4377 0.5498 0.9551 0.032 Uiso 1 1 calc R . .
C85 C 0.8538(3) 0.4421(2) 0.81500(13) 0.0300(11) Uani 1 1 d . . .
C86 C 0.8313(3) 0.3833(2) 0.81546(15) 0.0405(13) Uani 1 1 d . . .
H86 H 0.7931 0.3702 0.8303 0.049 Uiso 1 1 calc R . .
C87 C 0.8631(3) 0.3431(3) 0.79474(16) 0.0485(16) Uani 1 1 d . . .
H87 H 0.8464 0.3030 0.7955 0.058 Uiso 1 1 calc R . .
C88 C 0.9185(3) 0.3610(3) 0.77308(16) 0.0473(15) Uani 1 1 d . . .
H88 H 0.9414 0.3333 0.7593 0.057 Uiso 1 1 calc R . .
C89 C 0.9404(3) 0.4196(3) 0.77163(14) 0.0407(14) Uani 1 1 d . . .
H89 H 0.9786 0.4318 0.7566 0.049 Uiso 1 1 calc R . .
C90 C 0.9082(3) 0.4618(2) 0.79160(12) 0.0306(11) Uani 1 1 d . . .
C91 C 0.9305(3) 0.5248(2) 0.78969(12) 0.0353(12) Uani 1 1 d . . .
C92 C 1.0047(3) 0.5458(3) 0.79498(14) 0.0435(14) Uani 1 1 d . . .
H92 H 1.0418 0.5194 0.7997 0.052 Uiso 1 1 calc R . .
C93 C 1.0251(4) 0.6053(3) 0.79337(16) 0.0542(18) Uani 1 1 d . . .
H93 H 1.0758 0.6191 0.7975 0.065 Uiso 1 1 calc R . .
C94 C 0.9735(4) 0.6436(3) 0.78603(17) 0.0577(18) Uani 1 1 d . . .
H94 H 0.9884 0.6838 0.7842 0.069 Uiso 1 1 calc R . .
C95 C 0.8982(4) 0.6239(3) 0.78114(17) 0.0584(18) Uani 1 1 d . . .
H95 H 0.8617 0.6508 0.7765 0.070 Uiso 1 1 calc R . .
C96 C 0.8773(4) 0.5651(3) 0.78315(16) 0.0501(16) Uani 1 1 d . . .
H96 H 0.8261 0.5518 0.7800 0.060 Uiso 1 1 calc R . .
O17 O 0.1719(2) 0.51622(17) 0.76514(9) 0.0455(10) Uani 1 1 d . . .
H17' H 0.1778 0.5219 0.7860 0.068 Uiso 1 1 calc R . .
C97 C 0.1500(2) 0.45950(12) 0.75868(9) 0.0365(13) Uani 1 1 d G I .
C98 C 0.1463(2) 0.41915(17) 0.78421(7) 0.0415(14) Uani 1 1 d G . .
H98 H 0.1576 0.4315 0.8068 0.050 Uiso 1 1 calc R . .
C99 C 0.1260(2) 0.36074(15) 0.77669(9) 0.0465(15) Uani 1 1 d G . .
H99 H 0.1234 0.3332 0.7941 0.056 Uiso 1 1 calc R . .
C100 C 0.1094(2) 0.34268(12) 0.74365(10) 0.0500(16) Uani 1 1 d G . .
H100 H 0.0956 0.3028 0.7385 0.060 Uiso 1 1 calc R . .
C101 C 0.1131(2) 0.38303(16) 0.71811(7) 0.0443(14) Uani 1 1 d G I .
H101 H 0.1018 0.3707 0.6955 0.053 Uiso 1 1 calc R . .
C102 C 0.1334(2) 0.44144(14) 0.72563(7) 0.0397(13) Uani 1 1 d G . .
C103 C 0.1364(12) 0.4840(6) 0.6969(4) 0.042(3) Uani 0.36(3) 1 d PG I 1
C104 C 0.1636(13) 0.4640(6) 0.6666(4) 0.042(3) Uani 0.36(3) 1 d PG I 1
H104 H 0.1793 0.4255 0.6647 0.050 Uiso 0.36(3) 1 calc PR I 1
C105 C 0.1677(11) 0.5004(8) 0.6391(3) 0.042(3) Uani 0.36(3) 1 d PG I 1
H105 H 0.1862 0.4867 0.6184 0.050 Uiso 0.36(3) 1 calc PR I 1
C106 C 0.1447(13) 0.5567(6) 0.6420(3) 0.042(3) Uani 0.36(3) 1 d PG I 1
H106 H 0.1475 0.5816 0.6232 0.050 Uiso 0.36(3) 1 calc PR I 1
C107 C 0.1176(15) 0.5767(5) 0.6723(3) 0.042(3) Uani 0.36(3) 1 d PG I 1
H107 H 0.1019 0.6152 0.6743 0.050 Uiso 0.36(3) 1 calc PR I 1
C108 C 0.1134(13) 0.5403(7) 0.6998(3) 0.042(3) Uani 0.36(3) 1 d PG I 1
H108 H 0.0949 0.5540 0.7205 0.050 Uiso 0.36(3) 1 calc PR I 1
C11A C -0.0715(12) 0.5478(7) 0.7000(6) 0.130(9) Uiso 0.462(7) 1 d PD J 1
H11A H -0.0203 0.5359 0.6961 0.156 Uiso 0.462(7) 1 calc PR J 1
H11B H -0.0752 0.5548 0.7245 0.156 Uiso 0.462(7) 1 calc PR J 1
Cl21 Cl -0.1265(3) 0.4935(3) 0.69075(14) 0.091(2) Uiso 0.462(7) 1 d PD J 1
Cl22 Cl -0.0772(10) 0.6157(6) 0.6811(4) 0.282(8) Uiso 0.462(7) 1 d PD J 1
C109 C 0.1299(10) 0.4841(6) 0.6984(4) 0.0543(19) Uani 0.64(3) 1 d P I 2
C110 C 0.1639(10) 0.4762(6) 0.6677(4) 0.0543(19) Uani 0.64(3) 1 d P I 2
H110 H 0.1931 0.4438 0.6643 0.065 Uiso 0.64(3) 1 calc PR I 2
C111 C 0.1556(8) 0.5160(7) 0.6413(3) 0.0543(19) Uani 0.64(3) 1 d P I 2
H111 H 0.1786 0.5091 0.6204 0.065 Uiso 0.64(3) 1 calc PR I 2
C112 C 0.1170(9) 0.5619(5) 0.6451(3) 0.0543(19) Uani 0.64(3) 1 d P I 2
H112 H 0.1140 0.5885 0.6272 0.065 Uiso 0.64(3) 1 calc PR I 2
C113 C 0.0796(11) 0.5725(5) 0.6754(3) 0.0543(19) Uani 0.64(3) 1 d P I 2
H113 H 0.0501 0.6050 0.6778 0.065 Uiso 0.64(3) 1 calc PR I 2
C114 C 0.0870(9) 0.5337(6) 0.7018(3) 0.0543(19) Uani 0.64(3) 1 d P I 2
H114 H 0.0629 0.5407 0.7224 0.065 Uiso 0.64(3) 1 calc PR I 2
C12A C -0.1362(10) 0.5202(6) 0.6890(5) 0.031(5) Uiso 0.277(7) 1 d PD K 2
H12A H -0.1862 0.5096 0.6787 0.037 Uiso 0.277(7) 1 calc PR K 2
H12B H -0.1426 0.5189 0.7136 0.037 Uiso 0.277(7) 1 calc PR K 2
Cl23 Cl -0.1177(8) 0.5853(6) 0.6810(3) 0.138(5) Uiso 0.277(7) 1 d PD K 2
Cl24 Cl -0.0820(6) 0.4633(4) 0.6789(2) 0.101(4) Uiso 0.277(7) 1 d PD K 2
O18 O 0.8521(2) 0.48958(17) 0.90160(9) 0.0410(9) Uani 1 1 d . . .
H18' H 0.8476 0.4872 0.8805 0.062 Uiso 1 1 calc R . .
C115 C 0.8744(3) 0.5448(3) 0.91108(13) 0.0349(12) Uani 1 1 d . . .
C116 C 0.8789(3) 0.5900(3) 0.88847(16) 0.0437(14) Uani 1 1 d . . .
H116 H 0.8663 0.5822 0.8654 0.052 Uiso 1 1 calc R . .
C117 C 0.9015(3) 0.6460(3) 0.89923(19) 0.0559(18) Uani 1 1 d . . .
H117 H 0.9046 0.6768 0.8836 0.067 Uiso 1 1 calc R . .
C118 C 0.9195(4) 0.6573(3) 0.9327(2) 0.063(2) Uani 1 1 d . . .
H118 H 0.9343 0.6960 0.9402 0.075 Uiso 1 1 calc R . .
C119 C 0.9162(3) 0.6131(3) 0.95513(17) 0.0527(17) Uani 1 1 d . . .
H119 H 0.9293 0.6217 0.9780 0.063 Uiso 1 1 calc R . .
C120 C 0.8944(3) 0.5563(3) 0.94546(15) 0.0434(14) Uani 1 1 d . . .
C121 C 0.8942(3) 0.5086(3) 0.96990(14) 0.0478(16) Uani 1 1 d . . .
C122 C 0.8637(3) 0.5173(4) 1.00199(16) 0.066(2) Uani 1 1 d . . .
H122 H 0.8429 0.5529 1.0079 0.079 Uiso 1 1 calc R . .
C123 C 0.8651(4) 0.4717(5) 1.02496(17) 0.082(3) Uani 1 1 d . . .
H123 H 0.8446 0.4768 1.0466 0.099 Uiso 1 1 calc R . .
C124 C 0.8943(5) 0.4217(5) 1.0172(2) 0.089(3) Uani 1 1 d . . .
H124 H 0.8941 0.3919 1.0333 0.107 Uiso 1 1 calc R . .
C125 C 0.9254(4) 0.4121(4) 0.9856(2) 0.084(3) Uani 1 1 d . . .
H125 H 0.9460 0.3762 0.9802 0.101 Uiso 1 1 calc R . .
C126 C 0.9254(4) 0.4564(3) 0.96263(16) 0.0580(19) Uani 1 1 d . . .
H126 H 0.9472 0.4509 0.9413 0.070 Uiso 1 1 calc R . .
Zn9 Zn 0.31988(3) -0.00443(2) 0.665789(12) 0.02012(11) Uani 1 1 d . . .
Zn10 Zn 0.46573(3) 0.03213(2) 0.618147(12) 0.01747(11) Uani 1 1 d . . .
Zn11 Zn 0.46918(3) 0.05883(2) 0.706677(12) 0.01741(11) Uani 1 1 d . . .
Zn12 Zn 0.46468(3) -0.08817(2) 0.673244(12) 0.01707(11) Uani 1 1 d . . .
Zn13 Zn 0.60077(3) -0.02425(2) 0.715405(12) 0.01710(11) Uani 1 1 d . . .
Zn14 Zn 0.60058(3) -0.05269(2) 0.625682(12) 0.01745(11) Uani 1 1 d . . .
Zn15 Zn 0.60258(3) 0.09597(2) 0.657824(12) 0.01876(11) Uani 1 1 d . . .
Zn16 Zn 0.74806(3) 0.01404(2) 0.668039(13) 0.02126(11) Uani 1 1 d . . .
O19 O 0.21344(19) -0.01236(16) 0.66356(9) 0.0354(9) Uani 1 1 d . . .
O20 O 0.36483(19) 0.03830(14) 0.62887(8) 0.0261(7) Uani 1 1 d D . .
H20' H 0.347(3) 0.0614(18) 0.6153(10) 0.039 Uiso 1 1 d D . .
O21 O 0.36542(19) 0.03600(14) 0.70520(8) 0.0280(7) Uani 1 1 d D . .
H21' H 0.347(3) 0.040(2) 0.7243(6) 0.042 Uiso 1 1 d D . .
O22 O 0.36342(19) -0.07990(13) 0.66342(8) 0.0245(7) Uani 1 1 d D . .
H22' H 0.341(3) -0.1123(11) 0.6584(13) 0.037 Uiso 1 1 d D . .
O23 O 0.49174(16) 0.00257(12) 0.66624(7) 0.0179(6) Uani 1 1 d . . .
O24 O 0.57694(16) 0.00580(12) 0.66640(7) 0.0170(6) Uani 1 1 d . . .
O25 O 0.51240(17) -0.03546(12) 0.59795(7) 0.0206(7) Uani 1 1 d . . .
O26 O 0.55193(19) 0.08938(13) 0.61338(7) 0.0237(7) Uani 1 1 d . . .
O27 O 0.51935(18) 0.12564(13) 0.68326(7) 0.0242(7) Uani 1 1 d . . .
O28 O 0.55500(17) 0.04340(12) 0.73613(7) 0.0207(7) Uani 1 1 d . . .
O29 O 0.51263(18) -0.08043(13) 0.71845(7) 0.0221(7) Uani 1 1 d . . .
O30 O 0.55083(18) -0.11802(12) 0.65027(7) 0.0216(7) Uani 1 1 d . . .
O31 O 0.70346(18) -0.02498(15) 0.70723(8) 0.0256(7) Uani 1 1 d D . .
H31' H 0.736(2) -0.034(2) 0.7213(10) 0.038 Uiso 1 1 d D . .
O32 O 0.70356(18) -0.03072(14) 0.62961(8) 0.0259(7) Uani 1 1 d D . .
H32' H 0.7430(16) -0.040(2) 0.6204(12) 0.039 Uiso 1 1 d D . .
O33 O 0.70527(18) 0.08982(14) 0.66553(9) 0.0275(7) Uani 1 1 d D . .
H33' H 0.735(2) 0.1197(14) 0.6641(14) 0.041 Uiso 1 1 d D . .
O34 O 0.85439(18) 0.01935(15) 0.67194(8) 0.0295(8) Uani 1 1 d . . .
C127 C 0.1784(3) -0.0018(2) 0.63429(13) 0.0330(12) Uani 1 1 d . . .
C128 C 0.1878(3) -0.0371(3) 0.60592(14) 0.0435(14) Uani 1 1 d . . .
H128 H 0.2205 -0.0678 0.6072 0.052 Uiso 1 1 calc R . .
C129 C 0.1501(4) -0.0279(3) 0.57578(16) 0.0516(16) Uani 1 1 d . . .
H129 H 0.1576 -0.0515 0.5564 0.062 Uiso 1 1 calc R . .
C130 C 0.1015(4) 0.0160(3) 0.57453(17) 0.0589(19) Uani 1 1 d . . .
H130 H 0.0743 0.0218 0.5543 0.071 Uiso 1 1 calc R . .
C131 C 0.0921(3) 0.0510(3) 0.60156(17) 0.0499(17) Uani 1 1 d . . .
H131 H 0.0585 0.0810 0.5999 0.060 Uiso 1 1 calc R . .
C132 C 0.1311(3) 0.0439(2) 0.63253(14) 0.0390(13) Uani 1 1 d . . .
C133 C 0.1230(3) 0.0820(3) 0.66174(17) 0.0461(15) Uani 1 1 d . . .
C134 C 0.0505(5) 0.0892(3) 0.6741(2) 0.072(2) Uani 1 1 d . . .
H134 H 0.0073 0.0701 0.6634 0.087 Uiso 1 1 calc R . .
C135 C 0.0445(7) 0.1254(4) 0.7024(3) 0.121(5) Uani 1 1 d . . .
H135 H -0.0036 0.1302 0.7113 0.145 Uiso 1 1 calc R . .
C136 C 0.1091(6) 0.1556(4) 0.7185(2) 0.098(3) Uani 1 1 d . . .
H136 H 0.1045 0.1797 0.7380 0.118 Uiso 1 1 calc R . .
C137 C 0.1763(5) 0.1484(3) 0.70512(18) 0.070(2) Uani 1 1 d . . .
H137 H 0.2198 0.1690 0.7147 0.084 Uiso 1 1 calc R . .
C138 C 0.1831(4) 0.1113(3) 0.67753(17) 0.0570(18) Uani 1 1 d . . .
H138 H 0.2317 0.1062 0.6693 0.068 Uiso 1 1 calc R . .
C139 C 0.4708(3) -0.08075(19) 0.58165(11) 0.0232(10) Uani 1 1 d . . .
C140 C 0.3937(3) -0.08064(19) 0.57986(11) 0.0235(10) Uani 1 1 d . . .
H140 H 0.3694 -0.0486 0.5889 0.028 Uiso 1 1 calc R . .
C141 C 0.3515(3) -0.1280(2) 0.56467(11) 0.0274(11) Uani 1 1 d . . .
H141 H 0.2985 -0.1280 0.5633 0.033 Uiso 1 1 calc R . .
C142 C 0.3867(3) -0.1746(2) 0.55165(11) 0.0268(11) Uani 1 1 d . . .
H142 H 0.3579 -0.2069 0.5415 0.032 Uiso 1 1 calc R . .
C143 C 0.4640(3) -0.17423(19) 0.55338(11) 0.0252(10) Uani 1 1 d . . .
H143 H 0.4877 -0.2067 0.5445 0.030 Uiso 1 1 calc R . .
C144 C 0.5081(3) -0.12725(18) 0.56792(11) 0.0221(10) Uani 1 1 d . . .
C145 C 0.5908(3) -0.12740(19) 0.56839(11) 0.0226(10) Uani 1 1 d . . .
C146 C 0.6262(3) -0.1751(2) 0.57987(12) 0.0289(11) Uani 1 1 d . . .
H146 H 0.5970 -0.2073 0.5886 0.035 Uiso 1 1 calc R . .
C147 C 0.7031(3) -0.1770(2) 0.57891(13) 0.0344(12) Uani 1 1 d . . .
H147 H 0.7261 -0.2101 0.5870 0.041 Uiso 1 1 calc R . .
C148 C 0.7468(3) -0.1309(2) 0.56621(13) 0.0332(12) Uani 1 1 d . . .
H148 H 0.7997 -0.1323 0.5654 0.040 Uiso 1 1 calc R . .
C149 C 0.7126(3) -0.0825(2) 0.55459(12) 0.0299(11) Uani 1 1 d . . .
H149 H 0.7421 -0.0506 0.5458 0.036 Uiso 1 1 calc R . .
C150 C 0.6355(3) -0.0807(2) 0.55575(11) 0.0273(11) Uani 1 1 d . . .
H150 H 0.6127 -0.0474 0.5479 0.033 Uiso 1 1 calc R . .
C151 C 0.5847(3) 0.08858(18) 0.58275(11) 0.0220(10) Uani 1 1 d . . .
C152 C 0.6623(3) 0.08675(19) 0.58047(12) 0.0278(11) Uani 1 1 d . . .
H152 H 0.6927 0.0885 0.6004 0.033 Uiso 1 1 calc R . .
C153 C 0.6957(3) 0.0824(2) 0.54913(13) 0.0317(12) Uani 1 1 d . . .
H153 H 0.7484 0.0807 0.5478 0.038 Uiso 1 1 calc R . .
C154 C 0.6519(3) 0.0806(2) 0.52018(12) 0.0293(11) Uani 1 1 d . . .
H154 H 0.6743 0.0779 0.4988 0.035 Uiso 1 1 calc R . .
C155 C 0.5748(3) 0.08290(19) 0.52237(11) 0.0298(12) Uani 1 1 d . . .
H155 H 0.5452 0.0815 0.5023 0.036 Uiso 1 1 calc R . .
C156 C 0.5395(3) 0.08719(18) 0.55341(11) 0.0229(10) Uani 1 1 d . . .
C157 C 0.4571(3) 0.0908(2) 0.55480(11) 0.0271(11) Uani 1 1 d . . .
C158 C 0.4082(3) 0.0498(2) 0.53688(12) 0.0335(12) Uani 1 1 d . . .
H158 H 0.4281 0.0190 0.5244 0.040 Uiso 1 1 calc R . .
C159 C 0.3308(3) 0.0540(2) 0.53737(13) 0.0382(13) Uani 1 1 d . . .
H159 H 0.2984 0.0262 0.5252 0.046 Uiso 1 1 calc R . .
C160 C 0.3010(3) 0.0989(2) 0.55561(13) 0.0393(13) Uani 1 1 d . . .
H160 H 0.2483 0.1015 0.5561 0.047 Uiso 1 1 calc R . .
C161 C 0.3485(3) 0.1401(2) 0.57323(12) 0.0323(12) Uani 1 1 d . . .
H161 H 0.3284 0.1713 0.5852 0.039 Uiso 1 1 calc R . .
C162 C 0.4260(3) 0.1353(2) 0.57316(11) 0.0265(11) Uani 1 1 d . . .
H162 H 0.4581 0.1628 0.5858 0.032 Uiso 1 1 calc R . .
C163 C 0.4809(3) 0.16947(18) 0.66993(10) 0.0209(9) Uani 1 1 d . . .
C164 C 0.4034(3) 0.1677(2) 0.67199(12) 0.0293(11) Uani 1 1 d . . .
H164 H 0.3780 0.1370 0.6838 0.035 Uiso 1 1 calc R . .
C165 C 0.3620(3) 0.2098(2) 0.65714(12) 0.0326(12) Uani 1 1 d . . .
H165 H 0.3092 0.2082 0.6592 0.039 Uiso 1 1 calc R . .
C166 C 0.3989(4) 0.2544(2) 0.63917(12) 0.0362(13) Uani 1 1 d . . .
H166 H 0.3716 0.2830 0.6285 0.043 Uiso 1 1 calc R . .
C167 C 0.4763(3) 0.2560(2) 0.63724(12) 0.0335(13) Uani 1 1 d . . .
H167 H 0.5013 0.2863 0.6250 0.040 Uiso 1 1 calc R . .
C168 C 0.5193(3) 0.21468(19) 0.65258(11) 0.0274(11) Uani 1 1 d . . .
C169 C 0.6022(3) 0.21987(19) 0.65065(12) 0.0284(11) Uani 1 1 d . . .
C170 C 0.6356(4) 0.2273(2) 0.61977(14) 0.0407(14) Uani 1 1 d . . .
H170 H 0.6053 0.2271 0.5999 0.049 Uiso 1 1 calc R . .
C171 C 0.7133(4) 0.2350(2) 0.61759(15) 0.0465(15) Uani 1 1 d . . .
H171 H 0.7358 0.2394 0.5963 0.056 Uiso 1 1 calc R . .
C172 C 0.7576(4) 0.2363(2) 0.64657(16) 0.0486(16) Uani 1 1 d . . .
H172 H 0.8105 0.2428 0.6451 0.058 Uiso 1 1 calc R . .
C173 C 0.7252(3) 0.2283(2) 0.67784(15) 0.0414(14) Uani 1 1 d . . .
H173 H 0.7557 0.2282 0.6977 0.050 Uiso 1 1 calc R . .
C174 C 0.6480(3) 0.2203(2) 0.67955(14) 0.0382(13) Uani 1 1 d . . .
H174 H 0.6257 0.2150 0.7008 0.046 Uiso 1 1 calc R . .
C175 C 0.5934(3) 0.09041(19) 0.75165(11) 0.0236(10) Uani 1 1 d . . .
C176 C 0.6705(3) 0.0965(2) 0.75157(11) 0.0262(10) Uani 1 1 d . . .
H176 H 0.6976 0.0666 0.7418 0.031 Uiso 1 1 calc R . .
C177 C 0.7099(3) 0.1469(2) 0.76589(12) 0.0306(11) Uani 1 1 d . . .
H177 H 0.7630 0.1511 0.7655 0.037 Uiso 1 1 calc R . .
C178 C 0.6703(3) 0.1898(2) 0.78047(12) 0.0298(11) Uani 1 1 d . . .
H178 H 0.6962 0.2238 0.7902 0.036 Uiso 1 1 calc R . .
C179 C 0.5933(3) 0.18353(19) 0.78099(11) 0.0253(10) Uani 1 1 d . . .
H179 H 0.5668 0.2135 0.7910 0.030 Uiso 1 1 calc R . .
C180 C 0.5528(3) 0.13391(19) 0.76704(10) 0.0235(10) Uani 1 1 d . . .
C181 C 0.4696(3) 0.12770(19) 0.76921(11) 0.0248(10) Uani 1 1 d . . .
C182 C 0.4270(3) 0.1743(2) 0.76106(12) 0.0292(11) Uani 1 1 d . . .
H182 H 0.4511 0.2089 0.7526 0.035 Uiso 1 1 calc R . .
C183 C 0.3503(3) 0.1707(2) 0.76518(13) 0.0360(13) Uani 1 1 d . . .
H183 H 0.3223 0.2026 0.7592 0.043 Uiso 1 1 calc R . .
C184 C 0.3143(3) 0.1215(2) 0.77783(13) 0.0356(12) Uani 1 1 d . . .
H184 H 0.2617 0.1194 0.7809 0.043 Uiso 1 1 calc R . .
C185 C 0.3558(3) 0.0743(2) 0.78615(12) 0.0322(12) Uani 1 1 d . . .
H185 H 0.3314 0.0401 0.7951 0.039 Uiso 1 1 calc R . .
C186 C 0.4322(3) 0.0773(2) 0.78140(11) 0.0262(10) Uani 1 1 d . . .
H186 H 0.4597 0.0446 0.7865 0.031 Uiso 1 1 calc R . .
C187 C 0.4753(3) -0.08250(18) 0.74788(11) 0.0198(9) Uani 1 1 d . . .
C188 C 0.3966(3) -0.08633(19) 0.74752(11) 0.0235(10) Uani 1 1 d . . .
H188 H 0.3698 -0.0892 0.7266 0.028 Uiso 1 1 calc R . .
C189 C 0.3572(3) -0.08595(19) 0.77734(12) 0.0262(10) Uani 1 1 d . . .
H189 H 0.3040 -0.0891 0.7768 0.031 Uiso 1 1 calc R . .
C190 C 0.3966(3) -0.0809(2) 0.80786(12) 0.0277(11) Uani 1 1 d . . .
H190 H 0.3703 -0.0803 0.8283 0.033 Uiso 1 1 calc R . .
C191 C 0.4747(3) -0.07689(19) 0.80844(11) 0.0257(11) Uani 1 1 d . . .
H191 H 0.5010 -0.0730 0.8294 0.031 Uiso 1 1 calc R . .
C192 C 0.5149(3) -0.07846(18) 0.77868(11) 0.0198(9) Uani 1 1 d . . .
C193 C 0.5982(3) -0.0766(2) 0.78021(11) 0.0234(10) Uani 1 1 d . . .
C194 C 0.6372(3) -0.1185(2) 0.76292(11) 0.0260(10) Uani 1 1 d . . .
H194 H 0.6105 -0.1474 0.7491 0.031 Uiso 1 1 calc R . .
C195 C 0.7148(3) -0.1178(2) 0.76597(12) 0.0318(12) Uani 1 1 d . . .
H195 H 0.7407 -0.1468 0.7545 0.038 Uiso 1 1 calc R . .
C196 C 0.7549(3) -0.0752(2) 0.78560(14) 0.0380(13) Uani 1 1 d . . .
H196 H 0.8079 -0.0746 0.7874 0.046 Uiso 1 1 calc R . .
C197 C 0.7168(3) -0.0334(2) 0.80247(13) 0.0396(13) Uani 1 1 d . . .
H197 H 0.7439 -0.0039 0.8158 0.048 Uiso 1 1 calc R . .
C198 C 0.6394(3) -0.0344(2) 0.79995(12) 0.0330(12) Uani 1 1 d . . .
H198 H 0.6140 -0.0059 0.8119 0.040 Uiso 1 1 calc R . .
C199 C 0.5848(3) -0.16211(18) 0.66627(11) 0.0217(10) Uani 1 1 d . . .
C200 C 0.6622(3) -0.16083(19) 0.66924(11) 0.0259(10) Uani 1 1 d . . .
H200 H 0.6922 -0.1306 0.6591 0.031 Uiso 1 1 calc R . .
C201 C 0.6964(3) -0.2038(2) 0.68711(12) 0.0299(11) Uani 1 1 d . . .
H201 H 0.7494 -0.2032 0.6889 0.036 Uiso 1 1 calc R . .
C202 C 0.6524(3) -0.2472(2) 0.70218(11) 0.0283(11) Uani 1 1 d . . .
H202 H 0.6751 -0.2761 0.7148 0.034 Uiso 1 1 calc R . .
C203 C 0.5757(3) -0.24842(19) 0.69898(11) 0.0245(10) Uani 1 1 d . . .
H203 H 0.5461 -0.2784 0.7096 0.029 Uiso 1 1 calc R . .
C204 C 0.5396(3) -0.20668(17) 0.68051(11) 0.0217(10) Uani 1 1 d . . .
C205 C 0.4566(3) -0.21070(19) 0.67596(11) 0.0244(10) Uani 1 1 d . . .
C206 C 0.4230(3) -0.21250(19) 0.64440(12) 0.0269(11) Uani 1 1 d . . .
H206 H 0.4533 -0.2089 0.6251 0.032 Uiso 1 1 calc R . .
C207 C 0.3452(3) -0.2196(2) 0.64027(13) 0.0312(11) Uani 1 1 d . . .
H207 H 0.3230 -0.2215 0.6184 0.037 Uiso 1 1 calc R . .
C208 C 0.3007(3) -0.2238(2) 0.66813(14) 0.0351(12) Uani 1 1 d . . .
H208 H 0.2478 -0.2287 0.6654 0.042 Uiso 1 1 calc R . .
C209 C 0.3330(3) -0.2209(2) 0.70009(14) 0.0353(13) Uani 1 1 d . . .
H209 H 0.3022 -0.2226 0.7193 0.042 Uiso 1 1 calc R . .
C210 C 0.4109(3) -0.2154(2) 0.70409(12) 0.0286(11) Uani 1 1 d . . .
H210 H 0.4331 -0.2149 0.7260 0.034 Uiso 1 1 calc R . .
C211 C 0.8840(3) 0.0155(2) 0.70363(13) 0.0336(12) Uani 1 1 d . . .
C212 C 0.8689(3) 0.0569(3) 0.72843(14) 0.0427(14) Uani 1 1 d . . .
H212 H 0.8365 0.0867 0.7234 0.051 Uiso 1 1 calc R . .
C213 C 0.9011(3) 0.0549(3) 0.76048(15) 0.0508(16) Uani 1 1 d . . .
H213 H 0.8897 0.0826 0.7773 0.061 Uiso 1 1 calc R . .
C214 C 0.9489(3) 0.0133(3) 0.76765(14) 0.0518(17) Uani 1 1 d . . .
H214 H 0.9726 0.0129 0.7892 0.062 Uiso 1 1 calc R . .
C215 C 0.9631(3) -0.0288(3) 0.74327(15) 0.0474(15) Uani 1 1 d . . .
H215 H 0.9964 -0.0579 0.7484 0.057 Uiso 1 1 calc R . .
C216 C 0.9293(3) -0.0288(2) 0.71161(13) 0.0361(12) Uani 1 1 d . . .
C217 C 0.9432(3) -0.0748(2) 0.68587(13) 0.0364(13) Uani 1 1 d . . .
C218 C 1.0152(3) -0.0821(3) 0.67424(14) 0.0423(14) Uani 1 1 d . . .
H218 H 1.0564 -0.0574 0.6827 0.051 Uiso 1 1 calc R . .
C219 C 1.0266(4) -0.1251(3) 0.65063(15) 0.0485(16) Uani 1 1 d . . .
H219 H 1.0756 -0.1294 0.6427 0.058 Uiso 1 1 calc R . .
C220 C 0.9669(4) -0.1622(3) 0.63824(15) 0.0485(16) Uani 1 1 d . . .
H220 H 0.9754 -0.1926 0.6225 0.058 Uiso 1 1 calc R . .
C221 C 0.8952(4) -0.1545(3) 0.64897(15) 0.0483(15) Uani 1 1 d . . .
H221 H 0.8541 -0.1788 0.6400 0.058 Uiso 1 1 calc R . .
C222 C 0.8829(3) -0.1113(3) 0.67278(14) 0.0422(14) Uani 1 1 d . . .
H222 H 0.8336 -0.1065 0.6802 0.051 Uiso 1 1 calc R . .
O35 O 0.1899(2) -0.09885(17) 0.70428(9) 0.0417(9) Uani 1 1 d . . .
H35' H 0.1885 -0.0715 0.6907 0.063 Uiso 1 1 calc R . .
C223 C 0.1717(3) -0.0797(3) 0.73494(14) 0.0401(14) Uani 1 1 d . . .
C224 C 0.1722(3) -0.0206(3) 0.74348(16) 0.0486(15) Uani 1 1 d . . .
H224 H 0.1841 0.0075 0.7269 0.058 Uiso 1 1 calc R . .
C225 C 0.1557(4) -0.0020(3) 0.77566(18) 0.062(2) Uani 1 1 d . . .
H225 H 0.1551 0.0386 0.7808 0.075 Uiso 1 1 calc R . .
C226 C 0.1401(4) -0.0424(4) 0.80045(18) 0.068(2) Uani 1 1 d . . .
H226 H 0.1301 -0.0299 0.8227 0.081 Uiso 1 1 calc R . .
C227 C 0.1392(4) -0.1008(4) 0.79214(16) 0.0597(19) Uani 1 1 d . . .
H227 H 0.1272 -0.1282 0.8091 0.072 Uiso 1 1 calc R . .
C228 C 0.1552(3) -0.1219(3) 0.75972(14) 0.0447(15) Uani 1 1 d . . .
C229 C 0.1541(3) -0.1857(3) 0.75220(15) 0.0447(15) Uani 1 1 d . . .
C230 C 0.1810(3) -0.2234(3) 0.77624(16) 0.0564(19) Uani 1 1 d . . .
H230 H 0.2010 -0.2080 0.7971 0.068 Uiso 1 1 calc R . .
C231 C 0.1784(4) -0.2829(4) 0.7696(2) 0.073(2) Uani 1 1 d . . .
H231 H 0.1968 -0.3078 0.7861 0.088 Uiso 1 1 calc R . .
C232 C 0.1500(4) -0.3064(3) 0.7401(2) 0.062(2) Uani 1 1 d . . .
H232 H 0.1479 -0.3474 0.7362 0.075 Uiso 1 1 calc R . .
C233 C 0.1243(4) -0.2704(3) 0.71564(17) 0.0535(17) Uani 1 1 d . . .
H233 H 0.1059 -0.2864 0.6946 0.064 Uiso 1 1 calc R . .
C234 C 0.1256(3) -0.2109(3) 0.72201(15) 0.0452(15) Uani 1 1 d . . .
H234 H 0.1065 -0.1866 0.7054 0.054 Uiso 1 1 calc R . .
O36 O 0.8768(2) -0.02446(16) 0.60888(9) 0.0397(9) Uani 1 1 d . . .
H36' H 0.8707 -0.0110 0.6284 0.060 Uiso 1 1 calc R . .
C235 C 0.8905(3) 0.0204(3) 0.58755(15) 0.0411(14) Uani 1 1 d . . .
C236 C 0.8858(3) 0.0775(3) 0.59844(18) 0.0510(16) Uani 1 1 d . . .
H236 H 0.8737 0.0857 0.6211 0.061 Uiso 1 1 calc R . .
C237 C 0.8988(4) 0.1227(3) 0.5765(2) 0.076(3) Uani 1 1 d . . .
H237 H 0.8953 0.1619 0.5841 0.092 Uiso 1 1 calc R . .
C238 C 0.9169(4) 0.1112(4) 0.5435(2) 0.086(3) Uani 1 1 d . . .
H238 H 0.9265 0.1423 0.5285 0.103 Uiso 1 1 calc R . .
C239 C 0.9207(4) 0.0546(3) 0.53260(19) 0.066(2) Uani 1 1 d . . .
H239 H 0.9330 0.0471 0.5099 0.080 Uiso 1 1 calc R . .
C240 C 0.9069(3) 0.0065(3) 0.55405(15) 0.0474(16) Uani 1 1 d . . .
C241 C 0.9155(3) -0.0532(3) 0.54130(14) 0.0414(14) Uani 1 1 d . . .
C242 C 0.8828(3) -0.0719(3) 0.51047(14) 0.0515(17) Uani 1 1 d . . .
H242 H 0.8538 -0.0462 0.4983 0.062 Uiso 1 1 calc R . .
C243 C 0.8916(4) -0.1275(4) 0.49713(16) 0.067(2) Uani 1 1 d . . .
H243 H 0.8685 -0.1397 0.4762 0.080 Uiso 1 1 calc R . .
C244 C 0.9347(4) -0.1648(3) 0.51482(16) 0.0593(19) Uani 1 1 d . . .
H244 H 0.9420 -0.2027 0.5059 0.071 Uiso 1 1 calc R . .
C245 C 0.9671(4) -0.1464(3) 0.54566(15) 0.0511(16) Uani 1 1 d . . .
H245 H 0.9966 -0.1719 0.5578 0.061 Uiso 1 1 calc R . .
C246 C 0.9570(3) -0.0920(3) 0.55874(14) 0.0411(14) Uani 1 1 d . . .
H246 H 0.9787 -0.0806 0.5801 0.049 Uiso 1 1 calc R . .
Zn17 Zn 0.28318(4) 0.49107(2) 0.502283(15) 0.03908(17) Uani 1 1 d . . .
Zn18 Zn 0.43007(4) 0.40860(2) 0.509500(13) 0.03384(16) Uani 1 1 d . . .
Zn19 Zn 0.57228(4) 0.47358(2) 0.547392(13) 0.03434(16) Uani 1 1 d . . .
Zn20 Zn 0.43773(4) 0.55753(2) 0.540699(13) 0.03396(16) Uani 1 1 d . . .
O37 O 0.1776(3) 0.49003(16) 0.50646(11) 0.0549(12) Uani 1 1 d . . .
O38 O 0.3272(3) 0.41877(15) 0.51392(10) 0.0462(11) Uani 1 1 d D . .
H38' H 0.305(3) 0.3895(18) 0.5226(15) 0.069 Uiso 1 1 d D . .
O39 O 0.6753(3) 0.49014(17) 0.54146(9) 0.0443(10) Uani 1 1 d D . .
H39' H 0.714(2) 0.491(3) 0.5541(14) 0.066 Uiso 1 1 d D . .
O40 O 0.3331(3) 0.54944(16) 0.53222(10) 0.0447(10) Uani 1 1 d D . .
H40' H 0.314(3) 0.5811(15) 0.5367(16) 0.067 Uiso 1 1 d D . .
O41 O 0.5424(2) 0.50158(13) 0.49935(8) 0.0322(8) Uani 1 1 d . . .
O42 O 0.5173(2) 0.39700(14) 0.53893(8) 0.0416(10) Uani 1 1 d . . .
O43 O 0.4768(2) 0.38600(14) 0.46705(8) 0.0410(10) Uani 1 1 d . . .
O44 O 0.4924(3) 0.50958(14) 0.57212(8) 0.0442(11) Uani 1 1 d . . .
C247 C 0.1427(3) 0.44295(19) 0.52057(11) 0.0774(18) Uani 1 1 d G L .
C248 C 0.1538(3) 0.4319(2) 0.55444(10) 0.0774(18) Uani 1 1 d G . .
H248 H 0.1865 0.4575 0.5679 0.093 Uiso 1 1 calc R . .
C249 C 0.1169(3) 0.3834(3) 0.56857(10) 0.119(4) Uani 1 1 d G . .
H249 H 0.1245 0.3758 0.5917 0.143 Uiso 1 1 calc R . .
C250 C 0.0690(3) 0.3459(2) 0.54883(14) 0.089(3) Uani 1 1 d G . .
H250 H 0.0438 0.3128 0.5585 0.107 Uiso 1 1 calc R . .
C251 C 0.0579(3) 0.3570(2) 0.51496(13) 0.099(3) Uani 1 1 d G L .
H251 H 0.0251 0.3314 0.5015 0.119 Uiso 1 1 calc R . .
C252 C 0.0947(3) 0.4055(2) 0.50083(9) 0.064(2) Uani 1 1 d G . .
C253 C 0.0939(6) 0.4047(6) 0.4629(2) 0.164(5) Uani 0.670(4) 1 d PG L 1
C254 C 0.0627(6) 0.4541(6) 0.4509(3) 0.164(5) Uani 0.670(4) 1 d PG L 1
H254 H 0.0469 0.4827 0.4662 0.196 Uiso 0.670(4) 1 calc PR L 1
C255 C 0.0547(6) 0.4615(5) 0.4165(3) 0.164(5) Uani 0.670(4) 1 d PG L 1
H255 H 0.0334 0.4953 0.4083 0.196 Uiso 0.670(4) 1 calc PR L 1
C256 C 0.0778(6) 0.4196(6) 0.3940(2) 0.164(5) Uani 0.670(4) 1 d PG L 1
H256 H 0.0723 0.4247 0.3705 0.196 Uiso 0.670(4) 1 calc PR L 1
C257 C 0.1090(6) 0.3702(6) 0.4060(3) 0.164(5) Uani 0.670(4) 1 d PG L 1
H257 H 0.1249 0.3415 0.3907 0.196 Uiso 0.670(4) 1 calc PR L 1
C258 C 0.1171(6) 0.3627(5) 0.4404(3) 0.164(5) Uani 0.670(4) 1 d PG L 1
H258 H 0.1384 0.3290 0.4486 0.196 Uiso 0.670(4) 1 calc PR L 1
C259 C 0.0712(6) 0.4412(5) 0.4686(2) 0.0401(19) Uani 0.330(4) 1 d PG L 2
C260 C 0.0003(5) 0.4605(5) 0.4627(2) 0.0401(19) Uani 0.330(4) 1 d PG L 2
H260 H -0.0345 0.4609 0.4804 0.048 Uiso 0.330(4) 1 calc PR L 2
C261 C -0.0194(5) 0.4793(5) 0.4310(3) 0.0401(19) Uani 0.330(4) 1 d PG L 2
H261 H -0.0678 0.4925 0.4270 0.048 Uiso 0.330(4) 1 calc PR L 2
C262 C 0.0316(6) 0.4788(5) 0.4051(2) 0.0401(19) Uani 0.330(4) 1 d PG L 2
H262 H 0.0181 0.4916 0.3835 0.048 Uiso 0.330(4) 1 calc PR L 2
C263 C 0.1024(5) 0.4594(5) 0.4110(2) 0.0401(19) Uani 0.330(4) 1 d PG L 2
H263 H 0.1373 0.4591 0.3933 0.048 Uiso 0.330(4) 1 calc PR L 2
C264 C 0.1222(5) 0.4406(5) 0.4427(3) 0.0401(19) Uani 0.330(4) 1 d PG L 2
H264 H 0.1706 0.4274 0.4467 0.048 Uiso 0.330(4) 1 calc PR L 2
C13A C 0.1107(14) 0.2922(12) 0.4284(6) 0.081(7) Uiso 0.330(4) 1 d P L 2
H13A H 0.0784 0.2558 0.4307 0.097 Uiso 0.330(4) 1 calc PR L 2
H13B H 0.0782 0.3243 0.4331 0.097 Uiso 0.330(4) 1 calc PR L 2
Cl25 Cl 0.1718(3) 0.2934(3) 0.46343(15) 0.0689(19) Uiso 0.330(4) 1 d P L 2
Cl26 Cl 0.1232(4) 0.2954(3) 0.39359(16) 0.077(2) Uiso 0.330(4) 1 d P L 2
C265 C 0.5503(4) 0.3454(2) 0.53605(12) 0.0399(15) Uani 1 1 d . . .
C266 C 0.6283(4) 0.3451(2) 0.53555(13) 0.0436(15) Uani 1 1 d . . .
H266 H 0.6579 0.3810 0.5378 0.052 Uiso 1 1 calc R . .
C267 C 0.6641(4) 0.2923(2) 0.53174(14) 0.0456(15) Uani 1 1 d . . .
H267 H 0.7171 0.2925 0.5314 0.055 Uiso 1 1 calc R . .
C268 C 0.6200(4) 0.2408(2) 0.52860(12) 0.0392(14) Uani 1 1 d . . .
H268 H 0.6428 0.2049 0.5264 0.047 Uiso 1 1 calc R . .
C269 C 0.5427(4) 0.2410(2) 0.52865(12) 0.0360(14) Uani 1 1 d . . .
H269 H 0.5134 0.2050 0.5260 0.043 Uiso 1 1 calc R . .
C270 C 0.5064(4) 0.2925(2) 0.53252(13) 0.0386(14) Uani 1 1 d . . .
C271 C 0.4221(4) 0.2901(2) 0.53308(13) 0.0404(14) Uani 1 1 d . . .
C272 C 0.3800(4) 0.2586(2) 0.50827(14) 0.0472(16) Uani 1 1 d . . .
H272 H 0.4046 0.2405 0.4903 0.057 Uiso 1 1 calc R . .
C273 C 0.3013(4) 0.2532(3) 0.50938(16) 0.0531(17) Uani 1 1 d . . .
H273 H 0.2723 0.2325 0.4921 0.064 Uiso 1 1 calc R . .
C274 C 0.2675(4) 0.2784(2) 0.53605(16) 0.0528(18) Uani 1 1 d . . .
H274 H 0.2145 0.2739 0.5373 0.063 Uiso 1 1 calc R . .
C275 C 0.3070(4) 0.3100(3) 0.56090(14) 0.0526(18) Uani 1 1 d . . .
H275 H 0.2817 0.3276 0.5788 0.063 Uiso 1 1 calc R . .
C276 C 0.3854(4) 0.3160(2) 0.55956(13) 0.0456(16) Uani 1 1 d . . .
H276 H 0.4135 0.3378 0.5767 0.055 Uiso 1 1 calc R . .
C277 C 0.4393(4) 0.3622(2) 0.43895(12) 0.0381(14) Uani 1 1 d . . .
C278 C 0.3616(4) 0.3580(2) 0.43758(13) 0.0421(15) Uani 1 1 d . . .
H278 H 0.3348 0.3703 0.4565 0.050 Uiso 1 1 calc R . .
C279 C 0.3220(4) 0.3363(2) 0.40903(14) 0.0443(15) Uani 1 1 d . . .
H279 H 0.2688 0.3331 0.4085 0.053 Uiso 1 1 calc R . .
C280 C 0.3616(4) 0.3193(2) 0.38135(13) 0.0413(15) Uani 1 1 d . . .
H280 H 0.3356 0.3047 0.3615 0.050 Uiso 1 1 calc R . .
C281 C 0.4380(4) 0.3237(2) 0.38273(12) 0.0362(14) Uani 1 1 d . . .
H281 H 0.4645 0.3119 0.3636 0.043 Uiso 1 1 calc R . .
C282 C 0.4785(4) 0.3449(2) 0.41111(12) 0.0390(14) Uani 1 1 d . . .
C283 C 0.5626(4) 0.3479(2) 0.41158(12) 0.0404(15) Uani 1 1 d . . .
C284 C 0.6022(4) 0.3723(2) 0.38450(13) 0.0458(16) Uani 1 1 d . . .
H284 H 0.5757 0.3887 0.3665 0.055 Uiso 1 1 calc R . .
C285 C 0.6802(4) 0.3725(2) 0.38376(15) 0.0473(16) Uani 1 1 d . . .
H285 H 0.7065 0.3888 0.3653 0.057 Uiso 1 1 calc R . .
C286 C 0.7180(4) 0.3494(2) 0.40929(15) 0.0489(16) Uani 1 1 d . . .
H286 H 0.7710 0.3495 0.4084 0.059 Uiso 1 1 calc R . .
C287 C 0.6815(4) 0.3255(2) 0.43684(15) 0.0484(16) Uani 1 1 d . . .
H287 H 0.7092 0.3094 0.4546 0.058 Uiso 1 1 calc R . .
C288 C 0.6033(4) 0.3253(2) 0.43806(13) 0.0421(15) Uani 1 1 d . . .
H288 H 0.5778 0.3098 0.4569 0.051 Uiso 1 1 calc R . .
C289 C 0.4593(4) 0.4774(2) 0.59760(13) 0.0456(17) Uani 1 1 d . . .
C290 C 0.3812(4) 0.4717(2) 0.59945(14) 0.0503(18) Uani 1 1 d . . .
H290 H 0.3517 0.4917 0.5839 0.060 Uiso 1 1 calc R . .
C291 C 0.3460(4) 0.4375(2) 0.62365(14) 0.0531(18) Uani 1 1 d . . .
H291 H 0.2929 0.4336 0.6247 0.064 Uiso 1 1 calc R . .
C292 C 0.3895(4) 0.4091(2) 0.64613(13) 0.0499(18) Uani 1 1 d . . .
H292 H 0.3664 0.3864 0.6632 0.060 Uiso 1 1 calc R . .
C293 C 0.4659(4) 0.4135(2) 0.64391(12) 0.0462(17) Uani 1 1 d . . .
H293 H 0.4947 0.3926 0.6592 0.055 Uiso 1 1 calc R . .
C294 C 0.5031(4) 0.4481(2) 0.61986(13) 0.0450(16) Uani 1 1 d . . .
C295 C 0.5868(4) 0.4523(2) 0.61875(13) 0.0483(17) Uani 1 1 d . . .
C296 C 0.6259(5) 0.4023(3) 0.61916(15) 0.059(2) Uani 1 1 d . . .
H296 H 0.5989 0.3652 0.6193 0.071 Uiso 1 1 calc R . .
C297 C 0.7051(5) 0.4055(3) 0.61934(16) 0.063(2) Uani 1 1 d . . .
H297 H 0.7310 0.3709 0.6189 0.075 Uiso 1 1 calc R . .
C298 C 0.7440(5) 0.4590(3) 0.62011(14) 0.062(2) Uani 1 1 d . . .
H298 H 0.7971 0.4615 0.6214 0.074 Uiso 1 1 calc R . .
C299 C 0.7065(5) 0.5092(3) 0.61902(14) 0.0560(19) Uani 1 1 d . . .
H299 H 0.7340 0.5461 0.6187 0.067 Uiso 1 1 calc R . .
C300 C 0.6275(4) 0.5062(3) 0.61839(13) 0.0477(16) Uani 1 1 d . . .
H300 H 0.6021 0.5410 0.6177 0.057 Uiso 1 1 calc R . .
O45 O 0.1586(4) 0.59718(18) 0.52797(13) 0.0808(17) Uani 1 1 d . . .
H45' H 0.1623 0.5630 0.5206 0.121 Uiso 1 1 calc R . .
C301 C 0.1474(4) 0.6325(3) 0.5021(2) 0.065(2) Uani 1 1 d . . .
C302 C 0.1505(5) 0.6139(3) 0.4694(2) 0.070(2) Uani 1 1 d . . .
H302 H 0.1597 0.5744 0.4647 0.084 Uiso 1 1 calc R . .
C303 C 0.1402(4) 0.6513(3) 0.4426(2) 0.066(2) Uani 1 1 d . . .
H303 H 0.1415 0.6374 0.4200 0.079 Uiso 1 1 calc R . .
C304 C 0.1281(4) 0.7098(3) 0.4500(2) 0.063(2) Uani 1 1 d . . .
H304 H 0.1214 0.7363 0.4324 0.076 Uiso 1 1 calc R . .
C305 C 0.1261(4) 0.7283(3) 0.4830(2) 0.0598(19) Uani 1 1 d . . .
H305 H 0.1188 0.7682 0.4875 0.072 Uiso 1 1 calc R . .
C306 C 0.1341(4) 0.6921(3) 0.51024(19) 0.0552(18) Uani 1 1 d . . .
C307 C 0.1288(4) 0.7132(2) 0.54495(18) 0.0505(16) Uani 1 1 d . . .
C308 C 0.1654(3) 0.7665(3) 0.55519(19) 0.0528(17) Uani 1 1 d . . .
H308 H 0.1943 0.7887 0.5396 0.063 Uiso 1 1 calc R . .
C309 C 0.1599(4) 0.7869(3) 0.5873(2) 0.062(2) Uani 1 1 d . . .
H309 H 0.1848 0.8234 0.5939 0.075 Uiso 1 1 calc R . .
C310 C 0.1188(4) 0.7556(3) 0.6105(2) 0.062(2) Uani 1 1 d . . .
H310 H 0.1168 0.7700 0.6330 0.074 Uiso 1 1 calc R . .
C311 C 0.0804(4) 0.7029(3) 0.6011(2) 0.0604(18) Uani 1 1 d . . .
H311 H 0.0505 0.6816 0.6168 0.072 Uiso 1 1 calc R . .
C312 C 0.0863(4) 0.6822(3) 0.5685(2) 0.0625(19) Uani 1 1 d . . .
H312 H 0.0610 0.6459 0.5620 0.075 Uiso 1 1 calc R . .
Zn21 Zn 0.28353(3) -0.00488(2) 0.000474(13) 0.02035(11) Uani 1 1 d . . .
Zn22 Zn 0.56939(3) -0.02700(2) 0.048519(12) 0.01750(11) Uani 1 1 d . . .
Zn23 Zn 0.43825(3) 0.05766(2) 0.039908(12) 0.01799(11) Uani 1 1 d . . .
Zn24 Zn 0.42747(3) -0.09069(2) 0.009392(12) 0.01834(11) Uani 1 1 d . . .
O46 O 0.17725(19) -0.00855(15) -0.00035(9) 0.0330(8) Uani 1 1 d . . .
O47 O 0.6728(2) -0.01228(16) 0.04276(8) 0.0328(8) Uani 1 1 d D . .
H47' H 0.700(3) -0.011(3) 0.0602(8) 0.049 Uiso 1 1 d D . .
O48 O 0.3349(2) 0.05280(15) 0.03132(9) 0.0315(8) Uani 1 1 d D . .
H48' H 0.313(3) 0.0824(15) 0.0376(14) 0.047 Uiso 1 1 d D . .
O49 O 0.3259(2) -0.07759(14) 0.01361(9) 0.0333(8) Uani 1 1 d D . .
H49' H 0.306(3) -0.098(2) 0.0287(10) 0.050 Uiso 1 1 d D . .
O50 O 0.45764(16) -0.00138(12) 0.00022(7) 0.0178(6) Uani 1 1 d . . .
O51 O 0.4893(2) 0.00956(14) 0.07234(8) 0.0299(8) Uani 1 1 d . . .
O52 O 0.5144(2) -0.10267(13) 0.03882(8) 0.0301(8) Uani 1 1 d . . .
O53 O 0.4737(2) -0.11274(14) -0.03273(8) 0.0314(8) Uani 1 1 d . . .
C313 C 0.1409(2) -0.00079(17) -0.02994(9) 0.0374(13) Uani 1 1 d G M .
C314 C 0.1445(2) -0.04157(16) -0.05607(10) 0.0481(16) Uani 1 1 d G . .
H314 H 0.1727 -0.0746 -0.0532 0.058 Uiso 1 1 calc R . .
C315 C 0.1067(3) -0.0340(2) -0.08634(9) 0.076(3) Uani 1 1 d G . .
H315 H 0.1091 -0.0618 -0.1042 0.091 Uiso 1 1 calc R . .
C316 C 0.0653(2) 0.0144(3) -0.09047(11) 0.115(5) Uani 1 1 d G . .
H316 H 0.0395 0.0196 -0.1112 0.138 Uiso 1 1 calc R . .
C317 C 0.0618(2) 0.0552(2) -0.06434(16) 0.104(4) Uani 1 1 d G M .
H317 H 0.0336 0.0883 -0.0672 0.125 Uiso 1 1 calc R . .
C318 C 0.0996(2) 0.04760(16) -0.03407(13) 0.063(2) Uani 1 1 d G . .
C319 C 0.1032(5) 0.0956(3) -0.00053(17) 0.034(3) Uani 0.580(4) 1 d PG M 1
C320 C 0.0654(5) 0.0800(3) 0.0285(2) 0.058(3) Uani 0.580(4) 1 d PG M 1
H320 H 0.0407 0.0422 0.0300 0.070 Uiso 0.580(4) 1 calc PR M 1
C321 C 0.0637(5) 0.1198(3) 0.05523(18) 0.063(4) Uani 0.580(4) 1 d PG M 1
H321 H 0.0378 0.1092 0.0750 0.076 Uiso 0.580(4) 1 calc PR M 1
C322 C 0.0998(5) 0.1751(3) 0.0530(2) 0.052(3) Uani 0.580(4) 1 d PG M 1
H322 H 0.0986 0.2023 0.0713 0.063 Uiso 0.580(4) 1 calc PR M 1
C323 C 0.1376(5) 0.1907(3) 0.0240(3) 0.060(5) Uani 0.580(4) 1 d PG M 1
H323 H 0.1623 0.2285 0.0225 0.072 Uiso 0.580(4) 1 calc PR M 1
C324 C 0.1393(5) 0.1509(4) -0.0028(2) 0.057(4) Uani 0.580(4) 1 d PG M 1
H324 H 0.1652 0.1616 -0.0226 0.068 Uiso 0.580(4) 1 calc PR M 1
C14A C -0.0969(9) 0.1808(6) 0.0158(4) 0.087(5) Uani 0.580(4) 1 d P M 1
H14A H -0.0581 0.1531 0.0202 0.105 Uiso 0.580(4) 1 calc PR M 1
H14B H -0.1373 0.1604 0.0018 0.105 Uiso 0.580(4) 1 calc PR M 1
Cl27 Cl -0.1331(3) 0.20418(16) 0.05386(13) 0.133(2) Uani 0.580(4) 1 d P M 1
Cl28 Cl -0.0582(2) 0.2404(2) -0.00517(10) 0.0952(16) Uani 0.580(4) 1 d P M 1
O54 O 0.1477(5) -0.0716(4) 0.0518(3) 0.044(2) Uani 0.563(5) 1 d P N 1
H54' H 0.1503 -0.0503 0.0350 0.066 Uiso 0.563(5) 1 calc PR N 1
C367 C 0.1363(5) -0.0382(3) 0.07999(18) 0.045(4) Uani 0.563(5) 1 d PG N 1
C368 C 0.1317(6) 0.0216(4) 0.07730(17) 0.067(4) Uani 0.563(5) 1 d PG N 1
H368 H 0.1382 0.0394 0.0561 0.080 Uiso 0.563(5) 1 calc PR N 1
C369 C 0.1177(5) 0.0554(3) 0.1056(2) 0.075(5) Uani 0.563(5) 1 d PG N 1
H369 H 0.1146 0.0963 0.1037 0.090 Uiso 0.563(5) 1 calc PR N 1
C370 C 0.1083(5) 0.0293(3) 0.13654(18) 0.058(3) Uani 0.563(5) 1 d PG N 1
H370 H 0.0987 0.0524 0.1559 0.069 Uiso 0.563(5) 1 calc PR N 1
C371 C 0.1128(5) -0.0305(4) 0.13923(16) 0.050(5) Uani 0.563(5) 1 d PG N 1
H371 H 0.1064 -0.0484 0.1604 0.060 Uiso 0.563(5) 1 calc PR N 1
C372 C 0.1268(4) -0.0643(3) 0.1110(2) 0.040(3) Uani 0.563(5) 1 d PG N 1
C373 C 0.1326(4) -0.1292(2) 0.11551(19) 0.039(3) Uani 0.563(5) 1 d PG N 1
C374 C 0.1681(4) -0.1476(3) 0.14435(16) 0.046(3) Uani 0.563(5) 1 d PG N 1
H374 H 0.1911 -0.1198 0.1600 0.055 Uiso 0.563(5) 1 calc PR N 1
C375 C 0.1701(4) -0.2069(3) 0.15025(15) 0.048(3) Uani 0.563(5) 1 d PG N 1
H375 H 0.1944 -0.2195 0.1700 0.058 Uiso 0.563(5) 1 calc PR N 1
C376 C 0.1366(4) -0.2477(2) 0.1273(2) 0.051(3) Uani 0.563(5) 1 d PG N 1
H376 H 0.1380 -0.2882 0.1313 0.062 Uiso 0.563(5) 1 calc PR N 1
C377 C 0.1011(4) -0.2292(3) 0.09848(17) 0.049(3) Uani 0.563(5) 1 d PG N 1
H377 H 0.0782 -0.2571 0.0828 0.059 Uiso 0.563(5) 1 calc PR N 1
C378 C 0.0991(4) -0.1700(3) 0.09258(16) 0.035(3) Uani 0.563(5) 1 d PG N 1
H378 H 0.0748 -0.1573 0.0729 0.042 Uiso 0.563(5) 1 calc PR N 1
C325 C 0.0833(6) 0.0872(4) -0.0143(2) 0.033(4) Uani 0.420(4) 1 d PG M 2
C326 C 0.1433(4) 0.1249(6) -0.0030(3) 0.045(5) Uani 0.420(4) 1 d PG M 2
H326 H 0.1919 0.1207 -0.0115 0.053 Uiso 0.420(4) 1 calc PR M 2
C327 C 0.1321(6) 0.1686(5) 0.0207(3) 0.054(6) Uani 0.420(4) 1 d PG M 2
H327 H 0.1731 0.1943 0.0284 0.065 Uiso 0.420(4) 1 calc PR M 2
C328 C 0.0610(7) 0.1746(4) 0.0331(3) 0.061(5) Uani 0.420(4) 1 d PG M 2
H328 H 0.0534 0.2045 0.0493 0.073 Uiso 0.420(4) 1 calc PR M 2
C329 C 0.0011(5) 0.1369(5) 0.0219(3) 0.076(6) Uani 0.420(4) 1 d PG M 2
H329 H -0.0475 0.1411 0.0304 0.092 Uiso 0.420(4) 1 calc PR M 2
C330 C 0.0122(5) 0.0932(4) -0.0018(3) 0.063(5) Uani 0.420(4) 1 d PG M 2
H330 H -0.0287 0.0675 -0.0095 0.075 Uiso 0.420(4) 1 calc PR M 2
O55 O 0.1604(7) -0.0993(5) 0.0423(3) 0.049(3) Uani 0.437(5) 1 d P N 2
H55' H 0.1538 -0.0732 0.0284 0.073 Uiso 0.437(5) 1 calc PR N 2
C379 C 0.1473(6) -0.0788(5) 0.0739(2) 0.043(4) Uani 0.437(5) 1 d PG N 2
C380 C 0.1553(6) -0.0195(4) 0.0818(2) 0.049(5) Uani 0.437(5) 1 d PG N 2
H380 H 0.1679 0.0077 0.0649 0.059 Uiso 0.437(5) 1 calc PR N 2
C381 C 0.1450(6) 0.0000(4) 0.1146(3) 0.056(4) Uani 0.437(5) 1 d PG N 2
H381 H 0.1505 0.0406 0.1200 0.068 Uiso 0.437(5) 1 calc PR N 2
C382 C 0.1265(7) -0.0398(6) 0.1394(2) 0.064(8) Uani 0.437(5) 1 d PG N 2
H382 H 0.1195 -0.0264 0.1618 0.077 Uiso 0.437(5) 1 calc PR N 2
C383 C 0.1185(6) -0.0991(5) 0.1315(2) 0.053(4) Uani 0.437(5) 1 d PG N 2
H383 H 0.1059 -0.1263 0.1485 0.064 Uiso 0.437(5) 1 calc PR N 2
C384 C 0.1289(5) -0.1186(4) 0.0987(3) 0.052(5) Uani 0.437(5) 1 d PG N 2
C385 C 0.1224(6) -0.1845(3) 0.0911(3) 0.050(6) Uani 0.437(5) 1 d PG N 2
C386 C 0.1526(6) -0.2226(5) 0.1134(2) 0.057(5) Uani 0.437(5) 1 d PG N 2
H386 H 0.1775 -0.2079 0.1334 0.069 Uiso 0.437(5) 1 calc PR N 2
C387 C 0.1462(6) -0.2823(4) 0.1064(3) 0.069(5) Uani 0.437(5) 1 d PG N 2
H387 H 0.1668 -0.3084 0.1216 0.083 Uiso 0.437(5) 1 calc PR N 2
C388 C 0.1097(7) -0.3038(3) 0.0770(3) 0.071(6) Uani 0.437(5) 1 d PG N 2
H388 H 0.1053 -0.3446 0.0723 0.085 Uiso 0.437(5) 1 calc PR N 2
C389 C 0.0795(6) -0.2657(4) 0.0547(3) 0.105(8) Uani 0.437(5) 1 d PG N 2
H389 H 0.0546 -0.2804 0.0347 0.126 Uiso 0.437(5) 1 calc PR N 2
C390 C 0.0859(6) -0.2060(4) 0.0617(3) 0.073(6) Uani 0.437(5) 1 d PG N 2
H390 H 0.0653 -0.1799 0.0465 0.087 Uiso 0.437(5) 1 calc PR N 2
C331 C 0.4534(3) -0.02310(19) 0.09694(11) 0.0256(10) Uani 1 1 d . . .
C332 C 0.3752(3) -0.0254(2) 0.09892(12) 0.0299(11) Uani 1 1 d . . .
H332 H 0.3474 -0.0027 0.0841 0.036 Uiso 1 1 calc R . .
C333 C 0.3372(3) -0.0605(2) 0.12239(12) 0.0330(12) Uani 1 1 d . . .
H333 H 0.2841 -0.0628 0.1230 0.040 Uiso 1 1 calc R . .
C334 C 0.3772(3) -0.09119(19) 0.14426(11) 0.0259(11) Uani 1 1 d . . .
H334 H 0.3520 -0.1140 0.1608 0.031 Uiso 1 1 calc R . .
C335 C 0.4550(3) -0.08945(19) 0.14267(11) 0.0236(10) Uani 1 1 d . . .
H335 H 0.4820 -0.1119 0.1579 0.028 Uiso 1 1 calc R . .
C336 C 0.4943(3) -0.0555(2) 0.11925(12) 0.0278(11) Uani 1 1 d . . .
C337 C 0.5784(3) -0.0534(2) 0.11926(12) 0.0323(12) Uani 1 1 d . . .
C338 C 0.6149(3) -0.1038(2) 0.12067(13) 0.0355(12) Uani 1 1 d . . .
H338 H 0.5865 -0.1404 0.1202 0.043 Uiso 1 1 calc R . .
C339 C 0.6938(3) -0.1024(2) 0.12281(14) 0.0416(14) Uani 1 1 d . . .
H339 H 0.7184 -0.1377 0.1234 0.050 Uiso 1 1 calc R . .
C340 C 0.7341(3) -0.0500(2) 0.12402(13) 0.0383(13) Uani 1 1 d . . .
H340 H 0.7871 -0.0488 0.1263 0.046 Uiso 1 1 calc R . .
C341 C 0.6996(3) 0.0014(2) 0.12198(13) 0.0377(13) Uani 1 1 d . . .
H341 H 0.7288 0.0376 0.1223 0.045 Uiso 1 1 calc R . .
C342 C 0.6213(3) 0.0003(2) 0.11945(12) 0.0315(11) Uani 1 1 d . . .
H342 H 0.5973 0.0357 0.1179 0.038 Uiso 1 1 calc R . .
C343 C 0.5477(3) -0.1551(2) 0.03735(11) 0.0280(11) Uani 1 1 d . . .
C344 C 0.6249(3) -0.1567(2) 0.03838(12) 0.0336(12) Uani 1 1 d . . .
H344 H 0.6552 -0.1211 0.0404 0.040 Uiso 1 1 calc R . .
C345 C 0.6591(3) -0.2090(2) 0.03650(13) 0.0373(13) Uani 1 1 d . . .
H345 H 0.7121 -0.2094 0.0373 0.045 Uiso 1 1 calc R . .
C346 C 0.6141(3) -0.26051(19) 0.03336(12) 0.0306(12) Uani 1 1 d . . .
H346 H 0.6363 -0.2968 0.0325 0.037 Uiso 1 1 calc R . .
C347 C 0.5378(3) -0.2592(2) 0.03149(12) 0.0290(11) Uani 1 1 d . . .
H347 H 0.5080 -0.2949 0.0285 0.035 Uiso 1 1 calc R . .
C348 C 0.5028(3) -0.2077(2) 0.03382(12) 0.0313(12) Uani 1 1 d . . .
C349 C 0.4186(3) -0.2084(2) 0.03355(13) 0.0339(12) Uani 1 1 d . . .
C350 C 0.3778(4) -0.2399(2) 0.00861(14) 0.0429(14) Uani 1 1 d . . .
H350 H 0.4031 -0.2583 -0.0090 0.052 Uiso 1 1 calc R . .
C351 C 0.2983(4) -0.2448(3) 0.00910(17) 0.0537(17) Uani 1 1 d . . .
H351 H 0.2697 -0.2654 -0.0083 0.064 Uiso 1 1 calc R . .
C352 C 0.2650(4) -0.2194(2) 0.03495(16) 0.0475(15) Uani 1 1 d . . .
H352 H 0.2119 -0.2238 0.0358 0.057 Uiso 1 1 calc R . .
C353 C 0.3037(3) -0.1873(2) 0.06036(15) 0.0408(13) Uani 1 1 d . . .
H353 H 0.2778 -0.1696 0.0781 0.049 Uiso 1 1 calc R . .
C354 C 0.3810(3) -0.1814(2) 0.05936(13) 0.0326(12) Uani 1 1 d . . .
H354 H 0.4088 -0.1590 0.0763 0.039 Uiso 1 1 calc R . .
C355 C 0.4344(3) -0.1355(2) -0.06095(12) 0.0298(11) Uani 1 1 d . . .
C356 C 0.3565(3) -0.1369(2) -0.06273(13) 0.0333(12) Uani 1 1 d . . .
H356 H 0.3299 -0.1247 -0.0437 0.040 Uiso 1 1 calc R . .
C357 C 0.3170(3) -0.1559(2) -0.09180(13) 0.0384(13) Uani 1 1 d . . .
H357 H 0.2639 -0.1562 -0.0927 0.046 Uiso 1 1 calc R . .
C358 C 0.3557(3) -0.1744(2) -0.11942(12) 0.0328(12) Uani 1 1 d . . .
H358 H 0.3292 -0.1874 -0.1394 0.039 Uiso 1 1 calc R . .
C359 C 0.4323(3) -0.1739(2) -0.11784(11) 0.0284(11) Uani 1 1 d . . .
H359 H 0.4581 -0.1876 -0.1368 0.034 Uiso 1 1 calc R . .
C360 C 0.4733(3) -0.1540(2) -0.08922(13) 0.0311(11) Uani 1 1 d . . .
C361 C 0.5574(3) -0.1547(2) -0.08839(13) 0.0347(12) Uani 1 1 d . . .
C362 C 0.5990(4) -0.1337(2) -0.11486(14) 0.0439(14) Uani 1 1 d . . .
H362 H 0.5740 -0.1176 -0.1334 0.053 Uiso 1 1 calc R . .
C363 C 0.6768(4) -0.1353(3) -0.11527(15) 0.0496(16) Uani 1 1 d . . .
H363 H 0.7047 -0.1207 -0.1337 0.059 Uiso 1 1 calc R . .
C364 C 0.7114(4) -0.1585(2) -0.08844(15) 0.0474(15) Uani 1 1 d . . .
H364 H 0.7643 -0.1599 -0.0885 0.057 Uiso 1 1 calc R . .
C365 C 0.6732(4) -0.1799(2) -0.06160(16) 0.0452(15) Uani 1 1 d . . .
H365 H 0.6989 -0.1960 -0.0433 0.054 Uiso 1 1 calc R . .
C366 C 0.5950(3) -0.1775(2) -0.06141(14) 0.0378(13) Uani 1 1 d . . .
H366 H 0.5676 -0.1917 -0.0427 0.045 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Cl Cl 0.1484 0.1585 '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
Cl1 C1A Cl2 114.5(5) . .
Cl1 C1A H1A 108.6 . .
Cl2 C1A H1A 108.6 . .
Cl1 C1A H1B 108.6 . .
Cl2 C1A H1B 108.6 . .
H1A C1A H1B 107.6 . .
Cl3 C2A Cl4 125.7(10) . .
Cl3 C2A H2A 105.9 . .
Cl4 C2A H2A 105.9 . .
Cl3 C2A H2B 105.9 . .
Cl4 C2A H2B 105.9 . .
H2A C2A H2B 106.2 . .
Cl5 C3A Cl6 113.7(9) . .
Cl5 C3A H3A 108.8 . .
Cl6 C3A H3A 108.8 . .
Cl5 C3A H3B 108.8 . .
Cl6 C3A H3B 108.8 . .
H3A C3A H3B 107.7 . .
Cl7 C4A Cl8 122.2(9) . .
Cl7 C4A H4A 106.8 . .
Cl8 C4A H4A 106.8 . .
Cl7 C4A H4B 106.8 . .
Cl8 C4A H4B 106.8 . .
H4A C4A H4B 106.6 . .
Cl9 C5A Cl10 104.1(13) . .
Cl9 C5A H5A 110.9 . .
Cl10 C5A H5A 110.9 . .
Cl9 C5A H5B 110.9 . .
Cl10 C5A H5B 110.9 . .
H5A C5A H5B 109.0 . .
Cl11 C6A Cl12 159.3(14) . .
Cl11 C6A H6A 96.4 . .
Cl12 C6A H6A 96.4 . .
Cl11 C6A H6B 96.4 . .
Cl12 C6A H6B 96.4 . .
H6A C6A H6B 103.4 . .
Cl15 C8A Cl16 118.6(15) . .
Cl15 C8A H8A 107.7 . .
Cl16 C8A H8A 107.7 . .
Cl15 C8A H8B 107.7 . .
Cl16 C8A H8B 107.7 . .
H8A C8A H8B 107.1 . .
Cl14 C7A Cl13 118(2) . .
Cl14 C7A H7A 107.8 . .
Cl13 C7A H7A 107.8 . .
Cl14 C7A H7B 107.8 . .
Cl13 C7A H7B 107.8 . .
H7A C7A H7B 107.1 . .
Cl17 C9A Cl18 114.5(9) . .
Cl17 C9A H9A 108.6 . .
Cl18 C9A H9A 108.6 . .
Cl17 C9A H9B 108.6 . .
Cl18 C9A H9B 108.6 . .
H9A C9A H9B 107.6 . .
Cl19 C10A Cl20 118.6(9) . .
Cl19 C10A H10A 107.7 . .
Cl20 C10A H10A 107.7 . .
Cl19 C10A H10B 107.7 . .
Cl20 C10A H10B 107.7 . .
H10A C10A H10B 107.1 . .
O1 Zn1 O4 110.09(15) . .
O1 Zn1 O2 120.29(15) . .
O4 Zn1 O2 104.28(15) . .
O1 Zn1 O3 109.02(15) . .
O4 Zn1 O3 107.28(15) . .
O2 Zn1 O3 105.11(14) . .
O2 Zn2 O7 122.53(14) . .
O2 Zn2 O8 139.03(14) . .
O7 Zn2 O8 97.02(13) . .
O2 Zn2 O5 93.33(13) . .
O7 Zn2 O5 90.65(12) . .
O8 Zn2 O5 96.71(12) . .
O3 Zn3 O10 138.67(14) . .
O3 Zn3 O9 123.19(15) . .
O10 Zn3 O9 97.79(13) . .
O3 Zn3 O5 90.44(13) . .
O10 Zn3 O5 94.96(12) . .
O9 Zn3 O5 90.25(12) . .
O3 Zn3 Zn7 137.98(10) . .
O10 Zn3 Zn7 78.19(9) . .
O9 Zn3 Zn7 36.99(9) . .
O5 Zn3 Zn7 61.39(8) . .
O4 Zn4 O12 136.53(15) . .
O4 Zn4 O11 125.17(15) . .
O12 Zn4 O11 97.27(14) . .
O4 Zn4 O5 91.23(13) . .
O12 Zn4 O5 97.75(12) . .
O11 Zn4 O5 90.81(12) . .
O4 Zn4 Zn5 140.40(10) . .
O12 Zn4 Zn5 78.95(9) . .
O11 Zn4 Zn5 37.30(9) . .
O5 Zn4 Zn5 61.79(8) . .
O13 Zn5 O10 124.30(14) . .
O13 Zn5 O11 136.91(14) . .
O10 Zn5 O11 96.87(13) . .
O13 Zn5 O6 94.19(13) . .
O10 Zn5 O6 89.82(12) . .
O11 Zn5 O6 98.47(12) . .
O13 Zn5 Zn4 128.26(11) . .
O10 Zn5 Zn4 102.15(10) . .
O11 Zn5 Zn4 37.26(9) . .
O6 Zn5 Zn4 61.83(8) . .
O14 Zn6 O12 124.18(15) . .
O14 Zn6 O7 138.49(14) . .
O12 Zn6 O7 96.92(13) . .
O14 Zn6 O6 90.85(13) . .
O12 Zn6 O6 88.61(12) . .
O7 Zn6 O6 96.22(12) . .
O15 Zn7 O9 134.43(14) . .
O15 Zn7 O8 127.89(14) . .
O9 Zn7 O8 96.24(13) . .
O15 Zn7 O6 91.78(13) . .
O9 Zn7 O6 100.00(12) . .
O8 Zn7 O6 89.85(12) . .
O15 Zn7 Zn3 124.31(10) . .
O9 Zn7 Zn3 37.27(9) . .
O8 Zn7 Zn3 102.59(10) . .
O6 Zn7 Zn3 63.51(8) . .
O16 Zn8 O13 119.53(15) . .
O16 Zn8 O15 111.52(14) . .
O13 Zn8 O15 102.67(14) . .
O16 Zn8 O14 110.39(14) . .
O13 Zn8 O14 105.36(14) . .
O15 Zn8 O14 106.36(14) . .
C1 O1 Zn1 121.1(3) . .
Zn2 O2 Zn1 119.40(17) . .
Zn2 O2 H2' 119(4) . .
Zn1 O2 H2' 120(4) . .
Zn3 O3 Zn1 123.31(17) . .
Zn3 O3 H3' 116(4) . .
Zn1 O3 H3' 119(4) . .
Zn4 O4 Zn1 121.85(17) . .
Zn4 O4 H4' 116(4) . .
Zn1 O4 H4' 122(4) . .
O6 O5 Zn4 100.70(18) . .
O6 O5 Zn2 101.29(18) . .
Zn4 O5 Zn2 115.45(13) . .
O6 O5 Zn3 102.75(18) . .
Zn4 O5 Zn3 117.35(13) . .
Zn2 O5 Zn3 115.42(13) . .
O5 O6 Zn7 101.36(18) . .
O5 O6 Zn5 101.55(18) . .
Zn7 O6 Zn5 115.10(13) . .
O5 O6 Zn6 103.23(18) . .
Zn7 O6 Zn6 116.47(13) . .
Zn5 O6 Zn6 115.70(13) . .
C13 O7 Zn2 126.1(3) . .
C13 O7 Zn6 117.2(3) . .
Zn2 O7 Zn6 108.07(14) . .
C25 O8 Zn2 118.2(3) . .
C25 O8 Zn7 123.0(3) . .
Zn2 O8 Zn7 107.03(14) . .
C37 O9 Zn7 115.5(3) . .
C37 O9 Zn3 127.3(3) . .
Zn7 O9 Zn3 105.74(14) . .
C49 O10 Zn5 124.1(3) . .
C49 O10 Zn3 119.1(3) . .
Zn5 O10 Zn3 109.27(14) . .
C61 O11 Zn4 126.4(3) . .
C61 O11 Zn5 116.1(3) . .
Zn4 O11 Zn5 105.43(14) . .
C73 O12 Zn4 118.0(3) . .
C73 O12 Zn6 125.4(3) . .
Zn4 O12 Zn6 108.42(14) . .
Zn5 O13 Zn8 119.23(16) . .
Zn5 O13 H13' 123(4) . .
Zn8 O13 H13' 113(4) . .
Zn6 O14 Zn8 123.07(16) . .
Zn6 O14 H14' 127(4) . .
Zn8 O14 H14' 110(4) . .
Zn7 O15 Zn8 120.93(16) . .
Zn7 O15 H15' 113(4) . .
Zn8 O15 H15' 126(4) . .
C85 O16 Zn8 120.7(3) . .
O1 C1 C2 122.0(5) . .
O1 C1 C6 119.4(5) . .
C2 C1 C6 118.5(5) . .
C3 C2 C1 121.8(5) . .
C3 C2 H2 119.1 . .
C1 C2 H2 119.1 . .
C2 C3 C4 119.6(6) . .
C2 C3 H3 120.2 . .
C4 C3 H3 120.2 . .
C5 C4 C3 119.9(5) . .
C5 C4 H4 120.0 . .
C3 C4 H4 120.0 . .
C4 C5 C6 120.8(5) . .
C4 C5 H5 119.6 . .
C6 C5 H5 119.6 . .
C1 C6 C5 119.1(5) . .
C1 C6 C7 119.9(5) . .
C5 C6 C7 121.0(5) . .
C8 C7 C12 118.8(5) . .
C8 C7 C6 121.7(5) . .
C12 C7 C6 119.5(5) . .
C9 C8 C7 120.5(5) . .
C9 C8 H8 119.7 . .
C7 C8 H8 119.7 . .
C10 C9 C8 120.7(6) . .
C10 C9 H9 119.7 . .
C8 C9 H9 119.7 . .
C9 C10 C11 119.5(6) . .
C9 C10 H10 120.3 . .
C11 C10 H10 120.3 . .
C12 C11 C10 120.0(6) . .
C12 C11 H11 120.0 . .
C10 C11 H11 120.0 . .
C11 C12 C7 120.5(5) . .
C11 C12 H12 119.7 . .
C7 C12 H12 119.7 . .
O7 C13 C14 120.3(4) . .
O7 C13 C18 119.2(4) . .
C14 C13 C18 120.5(4) . .
C13 C14 C15 119.3(5) . .
C13 C14 H14 120.4 . .
C15 C14 H14 120.4 . .
C16 C15 C14 120.8(5) . .
C16 C15 H15 119.6 . .
C14 C15 H15 119.6 . .
C15 C16 C17 119.5(4) . .
C15 C16 H16 120.2 . .
C17 C16 H16 120.2 . .
C16 C17 C18 120.8(4) . .
C16 C17 H17 119.6 . .
C18 C17 H17 119.6 . .
C17 C18 C13 119.0(4) . .
C17 C18 C19 119.7(4) . .
C13 C18 C19 121.3(4) . .
C20 C19 C24 118.6(5) . .
C20 C19 C18 119.8(4) . .
C24 C19 C18 121.6(4) . .
C19 C20 C21 120.1(5) . .
C19 C20 H20 119.9 . .
C21 C20 H20 119.9 . .
C22 C21 C20 120.3(5) . .
C22 C21 H21 119.8 . .
C20 C21 H21 119.8 . .
C21 C22 C23 120.7(5) . .
C21 C22 H22 119.7 . .
C23 C22 H22 119.7 . .
C22 C23 C24 119.3(5) . .
C22 C23 H23 120.3 . .
C24 C23 H23 120.3 . .
C19 C24 C23 120.9(5) . .
C19 C24 H24 119.6 . .
C23 C24 H24 119.6 . .
O8 C25 C26 119.8(4) . .
O8 C25 C30 120.4(4) . .
C26 C25 C30 119.8(4) . .
C27 C26 C25 120.3(5) . .
C27 C26 H26 119.8 . .
C25 C26 H26 119.8 . .
C26 C27 C28 121.2(5) . .
C26 C27 H27 119.4 . .
C28 C27 H27 119.4 . .
C29 C28 C27 118.4(5) . .
C29 C28 H28 120.8 . .
C27 C28 H28 120.8 . .
C28 C29 C30 122.2(4) . .
C28 C29 H29 118.9 . .
C30 C29 H29 118.9 . .
C25 C30 C29 118.1(5) . .
C25 C30 C31 122.0(4) . .
C29 C30 C31 120.0(4) . .
C36 C31 C32 118.1(5) . .
C36 C31 C30 122.2(4) . .
C32 C31 C30 119.6(5) . .
C33 C32 C31 120.6(5) . .
C33 C32 H32 119.7 . .
C31 C32 H32 119.7 . .
C34 C33 C32 120.7(5) . .
C34 C33 H33 119.6 . .
C32 C33 H33 119.6 . .
C33 C34 C35 119.6(5) . .
C33 C34 H34 120.2 . .
C35 C34 H34 120.2 . .
C34 C35 C36 120.2(5) . .
C34 C35 H35 119.9 . .
C36 C35 H35 119.9 . .
C31 C36 C35 120.7(5) . .
C31 C36 H36 119.7 . .
C35 C36 H36 119.7 . .
O9 C37 C38 120.9(4) . .
O9 C37 C42 118.2(4) . .
C38 C37 C42 120.9(4) . .
C37 C38 C39 119.8(5) . .
C37 C38 H38 120.1 . .
C39 C38 H38 120.1 . .
C40 C39 C38 119.6(5) . .
C40 C39 H39 120.2 . .
C38 C39 H39 120.2 . .
C41 C40 C39 120.5(5) . .
C41 C40 H40 119.7 . .
C39 C40 H40 119.7 . .
C40 C41 C42 120.9(4) . .
C40 C41 H41 119.5 . .
C42 C41 H41 119.5 . .
C37 C42 C41 118.2(5) . .
C37 C42 C43 120.9(4) . .
C41 C42 C43 120.9(4) . .
C44 C43 C48 118.6(5) . .
C44 C43 C42 120.6(4) . .
C48 C43 C42 120.9(4) . .
C43 C44 C45 120.8(5) . .
C43 C44 H44 119.6 . .
C45 C44 H44 119.6 . .
C46 C45 C44 119.6(5) . .
C46 C45 H45 120.2 . .
C44 C45 H45 120.2 . .
C47 C46 C45 119.7(5) . .
C47 C46 H46 120.1 . .
C45 C46 H46 120.1 . .
C48 C47 C46 120.6(5) . .
C48 C47 H47 119.7 . .
C46 C47 H47 119.7 . .
C47 C48 C43 120.8(5) . .
C47 C48 H48 119.6 . .
C43 C48 H48 119.6 . .
O10 C49 C50 120.0(4) . .
O10 C49 C54 120.0(4) . .
C50 C49 C54 120.0(4) . .
C49 C50 C51 120.9(5) . .
C49 C50 H50 119.6 . .
C51 C50 H50 119.6 . .
C52 C51 C50 119.5(5) . .
C52 C51 H51 120.3 . .
C50 C51 H51 120.3 . .
C51 C52 C53 119.5(5) . .
C51 C52 H52 120.3 . .
C53 C52 H52 120.3 . .
C52 C53 C54 121.8(4) . .
C52 C53 H53 119.1 . .
C54 C53 H53 119.1 . .
C53 C54 C49 118.4(4) . .
C53 C54 C55 119.9(4) . .
C49 C54 C55 121.7(4) . .
C60 C55 C56 117.6(5) . .
C60 C55 C54 120.6(4) . .
C56 C55 C54 121.8(4) . .
C57 C56 C55 120.5(5) . .
C57 C56 H56 119.7 . .
C55 C56 H56 119.7 . .
C58 C57 C56 120.8(5) . .
C58 C57 H57 119.6 . .
C56 C57 H57 119.6 . .
C57 C58 C59 119.6(5) . .
C57 C58 H58 120.2 . .
C59 C58 H58 120.2 . .
C60 C59 C58 119.7(5) . .
C60 C59 H59 120.2 . .
C58 C59 H59 120.2 . .
C59 C60 C55 121.8(5) . .
C59 C60 H60 119.1 . .
C55 C60 H60 119.1 . .
O11 C61 C62 120.0(4) . .
O11 C61 C66 119.8(4) . .
C62 C61 C66 120.2(4) . .
C61 C62 C63 119.8(5) . .
C61 C62 H62 120.1 . .
C63 C62 H62 120.1 . .
C64 C63 C62 120.5(5) . .
C64 C63 H63 119.7 . .
C62 C63 H63 119.7 . .
C65 C64 C63 120.0(5) . .
C65 C64 H64 120.0 . .
C63 C64 H64 120.0 . .
C64 C65 C66 120.9(5) . .
C64 C65 H65 119.5 . .
C66 C65 H65 119.5 . .
C61 C66 C65 118.5(5) . .
C61 C66 C67 122.1(4) . .
C65 C66 C67 119.3(4) . .
C68 C67 C72 118.2(5) . .
C68 C67 C66 120.0(5) . .
C72 C67 C66 121.7(4) . .
C67 C68 C69 120.8(5) . .
C67 C68 H68 119.6 . .
C69 C68 H68 119.6 . .
C70 C69 C68 120.3(6) . .
C70 C69 H69 119.8 . .
C68 C69 H69 119.8 . .
C69 C70 C71 120.9(6) . .
C69 C70 H70 119.5 . .
C71 C70 H70 119.5 . .
C70 C71 C72 119.0(6) . .
C70 C71 H71 120.5 . .
C72 C71 H71 120.5 . .
C71 C72 C67 120.7(5) . .
C71 C72 H72 119.7 . .
C67 C72 H72 119.7 . .
O12 C73 C74 120.8(4) . .
O12 C73 C78 119.3(4) . .
C74 C73 C78 119.8(4) . .
C75 C74 C73 119.9(4) . .
C75 C74 H74 120.0 . .
C73 C74 H74 120.0 . .
C76 C75 C74 120.8(5) . .
C76 C75 H75 119.6 . .
C74 C75 H75 119.6 . .
C75 C76 C77 119.4(5) . .
C75 C76 H76 120.3 . .
C77 C76 H76 120.3 . .
C76 C77 C78 122.3(4) . .
C76 C77 H77 118.8 . .
C78 C77 H77 118.8 . .
C77 C78 C73 117.7(5) . .
C77 C78 C79 121.6(4) . .
C73 C78 C79 120.7(4) . .
C84 C79 C80 118.9(5) . .
C84 C79 C78 121.5(4) . .
C80 C79 C78 119.6(5) . .
C79 C80 C81 119.4(5) . .
C79 C80 H80 120.3 . .
C81 C80 H80 120.3 . .
C82 C81 C80 120.8(5) . .
C82 C81 H81 119.6 . .
C80 C81 H81 119.6 . .
C81 C82 C83 120.6(5) . .
C81 C82 H82 119.7 . .
C83 C82 H82 119.7 . .
C82 C83 C84 119.3(5) . .
C82 C83 H83 120.3 . .
C84 C83 H83 120.3 . .
C79 C84 C83 121.0(5) . .
C79 C84 H84 119.5 . .
C83 C84 H84 119.5 . .
O16 C85 C86 122.0(5) . .
O16 C85 C90 119.0(5) . .
C86 C85 C90 119.0(5) . .
C85 C86 C87 121.5(5) . .
C85 C86 H86 119.2 . .
C87 C86 H86 119.2 . .
C88 C87 C86 120.4(6) . .
C88 C87 H87 119.8 . .
C86 C87 H87 119.8 . .
C87 C88 C89 119.0(5) . .
C87 C88 H88 120.5 . .
C89 C88 H88 120.5 . .
C88 C89 C90 122.4(5) . .
C88 C89 H89 118.8 . .
C90 C89 H89 118.8 . .
C89 C90 C85 117.7(5) . .
C89 C90 C91 122.6(5) . .
C85 C90 C91 119.7(4) . .
C92 C91 C96 118.1(6) . .
C92 C91 C90 120.9(5) . .
C96 C91 C90 121.0(5) . .
C93 C92 C91 120.5(6) . .
C93 C92 H92 119.8 . .
C91 C92 H92 119.8 . .
C94 C93 C92 120.8(6) . .
C94 C93 H93 119.6 . .
C92 C93 H93 119.6 . .
C93 C94 C95 120.0(6) . .
C93 C94 H94 120.0 . .
C95 C94 H94 120.0 . .
C96 C95 C94 119.6(6) . .
C96 C95 H95 120.2 . .
C94 C95 H95 120.2 . .
C95 C96 C91 120.9(6) . .
C95 C96 H96 119.5 . .
C91 C96 H96 119.5 . .
C97 O17 H17' 109.5 . .
O17 C97 C98 121.2(3) . .
O17 C97 C102 118.8(3) . .
C98 C97 C102 120.0 . .
C99 C98 C97 120.0 . .
C99 C98 H98 120.0 . .
C97 C98 H98 120.0 . .
C100 C99 C98 120.0 . .
C100 C99 H99 120.0 . .
C98 C99 H99 120.0 . .
C99 C100 C101 120.0 . .
C99 C100 H100 120.0 . .
C101 C100 H100 120.0 . .
C102 C101 C100 120.0 . .
C102 C101 H101 120.0 . .
C100 C101 H101 120.0 . .
C101 C102 C97 120.0 . .
C101 C102 C109 118.5(6) . .
C97 C102 C109 121.2(6) . .
C101 C102 C103 118.1(7) . .
C97 C102 C103 121.9(7) . .
C104 C103 C108 120.0 . .
C104 C103 C102 116.7(11) . .
C108 C103 C102 123.3(11) . .
C105 C104 C103 120.0 . .
C105 C104 H104 120.0 . .
C103 C104 H104 120.0 . .
C106 C105 C104 120.0 . .
C106 C105 H105 120.0 . .
C104 C105 H105 120.0 . .
C107 C106 C105 120.0 . .
C107 C106 H106 120.0 . .
C105 C106 H106 120.0 . .
C106 C107 C108 120.0 . .
C106 C107 H107 120.0 . .
C108 C107 H107 120.0 . .
C107 C108 C103 120.0 . .
C107 C108 H108 120.0 . .
C103 C108 H108 120.0 . .
Cl21 C11A Cl22 122.9(14) . .
Cl21 C11A H11A 106.6 . .
Cl22 C11A H11A 106.6 . .
Cl21 C11A H11B 106.6 . .
Cl22 C11A H11B 106.6 . .
H11A C11A H11B 106.6 . .
C110 C109 C114 116.5(10) . .
C110 C109 C102 122.3(12) . .
C114 C109 C102 121.1(11) . .
C109 C110 C111 121.1(10) . .
C109 C110 H110 119.5 . .
C111 C110 H110 119.5 . .
C112 C111 C110 121.4(11) . .
C112 C111 H111 119.3 . .
C110 C111 H111 119.3 . .
C111 C112 C113 120.9(10) . .
C111 C112 H112 119.5 . .
C113 C112 H112 119.5 . .
C114 C113 C112 118.4(10) . .
C114 C113 H113 120.8 . .
C112 C113 H113 120.8 . .
C113 C114 C109 121.5(10) . .
C113 C114 H114 119.2 . .
C109 C114 H114 119.2 . .
Cl23 C12A Cl24 125.8(12) . .
Cl23 C12A H12A 105.9 . .
Cl24 C12A H12A 105.9 . .
Cl23 C12A H12B 105.9 . .
Cl24 C12A H12B 105.9 . .
H12A C12A H12B 106.2 . .
C115 O18 H18' 109.5 . .
O18 C115 C116 122.2(5) . .
O18 C115 C120 118.1(5) . .
C116 C115 C120 119.7(6) . .
C117 C116 C115 120.5(6) . .
C117 C116 H116 119.8 . .
C115 C116 H116 119.8 . .
C118 C117 C116 119.7(7) . .
C118 C117 H117 120.1 . .
C116 C117 H117 120.1 . .
C119 C118 C117 120.3(7) . .
C119 C118 H118 119.8 . .
C117 C118 H118 119.8 . .
C118 C119 C120 121.9(6) . .
C118 C119 H119 119.1 . .
C120 C119 H119 119.1 . .
C119 C120 C115 117.8(6) . .
C119 C120 C121 121.0(6) . .
C115 C120 C121 121.1(6) . .
C126 C121 C122 119.0(6) . .
C126 C121 C120 121.8(5) . .
C122 C121 C120 119.2(7) . .
C123 C122 C121 118.1(8) . .
C123 C122 H122 120.9 . .
C121 C122 H122 120.9 . .
C124 C123 C122 121.7(7) . .
C124 C123 H123 119.2 . .
C122 C123 H123 119.2 . .
C123 C124 C125 121.4(8) . .
C123 C124 H124 119.3 . .
C125 C124 H124 119.3 . .
C126 C125 C124 118.1(9) . .
C126 C125 H125 120.9 . .
C124 C125 H125 120.9 . .
C125 C126 C121 121.6(7) . .
C125 C126 H126 119.2 . .
C121 C126 H126 119.2 . .
O19 Zn9 O21 116.66(16) . .
O19 Zn9 O20 113.92(15) . .
O21 Zn9 O20 103.05(14) . .
O19 Zn9 O22 112.03(15) . .
O21 Zn9 O22 105.87(14) . .
O20 Zn9 O22 104.09(14) . .
O20 Zn10 O26 133.75(14) . .
O20 Zn10 O25 128.24(14) . .
O26 Zn10 O25 96.84(13) . .
O20 Zn10 O23 92.14(13) . .
O26 Zn10 O23 98.67(12) . .
O25 Zn10 O23 89.62(12) . .
O20 Zn10 Zn15 124.70(10) . .
O26 Zn10 Zn15 37.06(9) . .
O25 Zn10 Zn15 101.35(9) . .
O23 Zn10 Zn15 62.09(8) . .
O21 Zn11 O28 135.64(14) . .
O21 Zn11 O27 126.34(14) . .
O28 Zn11 O27 96.49(13) . .
O21 Zn11 O23 93.07(13) . .
O28 Zn11 O23 98.22(12) . .
O27 Zn11 O23 90.29(12) . .
O21 Zn11 Zn13 126.36(11) . .
O28 Zn11 Zn13 37.11(8) . .
O27 Zn11 Zn13 101.89(10) . .
O23 Zn11 Zn13 61.69(8) . .
O22 Zn12 O30 137.29(13) . .
O22 Zn12 O29 125.51(14) . .
O30 Zn12 O29 96.34(13) . .
O22 Zn12 O23 91.38(12) . .
O30 Zn12 O23 97.96(12) . .
O29 Zn12 O23 89.22(12) . .
O31 Zn13 O29 138.59(14) . .
O31 Zn13 O28 123.15(14) . .
O29 Zn13 O28 96.88(13) . .
O31 Zn13 O24 92.59(13) . .
O29 Zn13 O24 97.31(12) . .
O28 Zn13 O24 90.92(12) . .
O31 Zn13 Zn11 139.42(10) . .
O29 Zn13 Zn11 79.02(9) . .
O28 Zn13 Zn11 36.90(9) . .
O24 Zn13 Zn11 61.85(8) . .
O32 Zn14 O25 139.45(14) . .
O32 Zn14 O30 123.59(14) . .
O25 Zn14 O30 96.56(13) . .
O32 Zn14 O24 91.29(13) . .
O25 Zn14 O24 94.90(12) . .
O30 Zn14 O24 89.39(11) . .
O33 Zn15 O26 124.89(14) . .
O33 Zn15 O27 136.08(14) . .
O26 Zn15 O27 97.68(13) . .
O33 Zn15 O24 92.49(13) . .
O26 Zn15 O24 91.39(12) . .
O27 Zn15 O24 97.15(12) . .
O33 Zn15 Zn10 140.35(10) . .
O26 Zn15 Zn10 37.09(9) . .
O27 Zn15 Zn10 80.02(10) . .
O24 Zn15 Zn10 61.81(8) . .
O34 Zn16 O32 116.69(14) . .
O34 Zn16 O33 113.63(15) . .
O32 Zn16 O33 104.51(14) . .
O34 Zn16 O31 110.57(14) . .
O32 Zn16 O31 104.02(14) . .
O33 Zn16 O31 106.51(14) . .
C127 O19 Zn9 118.7(3) . .
Zn10 O20 Zn9 121.16(17) . .
Zn10 O20 H20' 107(4) . .
Zn9 O20 H20' 131(4) . .
Zn11 O21 Zn9 120.45(17) . .
Zn11 O21 H21' 110(4) . .
Zn9 O21 H21' 128(4) . .
Zn12 O22 Zn9 122.32(16) . .
Zn12 O22 H22' 111(4) . .
Zn9 O22 H22' 127(4) . .
O24 O23 Zn10 102.32(18) . .
O24 O23 Zn11 102.64(18) . .
Zn10 O23 Zn11 115.74(13) . .
O24 O23 Zn12 101.92(18) . .
Zn10 O23 Zn12 114.80(13) . .
Zn11 O23 Zn12 116.24(13) . .
O23 O24 Zn15 101.30(18) . .
O23 O24 Zn13 101.07(18) . .
Zn15 O24 Zn13 116.94(13) . .
O23 O24 Zn14 102.94(18) . .
Zn15 O24 Zn14 115.60(13) . .
Zn13 O24 Zn14 115.32(13) . .
C139 O25 Zn14 119.1(3) . .
C139 O25 Zn10 122.2(3) . .
Zn14 O25 Zn10 109.17(14) . .
C151 O26 Zn15 127.2(3) . .
C151 O26 Zn10 115.0(3) . .
Zn15 O26 Zn10 105.84(14) . .
C163 O27 Zn15 118.8(3) . .
C163 O27 Zn11 122.7(3) . .
Zn15 O27 Zn11 107.58(14) . .
C175 O28 Zn11 117.3(3) . .
C175 O28 Zn13 125.4(3) . .
Zn11 O28 Zn13 105.99(13) . .
C187 O29 Zn13 118.1(3) . .
C187 O29 Zn12 124.9(3) . .
Zn13 O29 Zn12 107.32(14) . .
C199 O30 Zn12 115.7(3) . .
C199 O30 Zn14 127.1(3) . .
Zn12 O30 Zn14 107.62(14) . .
Zn13 O31 Zn16 121.16(16) . .
Zn13 O31 H31' 125(4) . .
Zn16 O31 H31' 112(4) . .
Zn14 O32 Zn16 122.81(16) . .
Zn14 O32 H32' 137(4) . .
Zn16 O32 H32' 99(4) . .
Zn15 O33 Zn16 121.70(16) . .
Zn15 O33 H33' 119(4) . .
Zn16 O33 H33' 118(4) . .
C211 O34 Zn16 116.3(3) . .
O19 C127 C128 120.2(5) . .
O19 C127 C132 119.9(5) . .
C128 C127 C132 119.9(5) . .
C129 C128 C127 120.9(6) . .
C129 C128 H128 119.5 . .
C127 C128 H128 119.5 . .
C130 C129 C128 118.9(6) . .
C130 C129 H129 120.6 . .
C128 C129 H129 120.6 . .
C131 C130 C129 121.1(6) . .
C131 C130 H130 119.4 . .
C129 C130 H130 119.4 . .
C130 C131 C132 121.6(6) . .
C130 C131 H131 119.2 . .
C132 C131 H131 119.2 . .
C127 C132 C131 117.5(6) . .
C127 C132 C133 120.0(5) . .
C131 C132 C133 122.5(6) . .
C138 C133 C134 118.8(7) . .
C138 C133 C132 122.0(6) . .
C134 C133 C132 119.2(6) . .
C135 C134 C133 117.9(9) . .
C135 C134 H134 121.0 . .
C133 C134 H134 121.0 . .
C134 C135 C136 121.8(9) . .
C134 C135 H135 119.1 . .
C136 C135 H135 119.1 . .
C137 C136 C135 117.6(8) . .
C137 C136 H136 121.2 . .
C135 C136 H136 121.2 . .
C136 C137 C138 120.9(8) . .
C136 C137 H137 119.5 . .
C138 C137 H137 119.5 . .
C133 C138 C137 122.8(7) . .
C133 C138 H138 118.6 . .
C137 C138 H138 118.6 . .
O25 C139 C140 119.9(4) . .
O25 C139 C144 118.9(4) . .
C140 C139 C144 121.2(4) . .
C139 C140 C141 119.6(4) . .
C139 C140 H140 120.2 . .
C141 C140 H140 120.2 . .
C142 C141 C140 120.2(5) . .
C142 C141 H141 119.9 . .
C140 C141 H141 119.9 . .
C141 C142 C143 119.8(4) . .
C141 C142 H142 120.1 . .
C143 C142 H142 120.1 . .
C142 C143 C144 121.7(4) . .
C142 C143 H143 119.2 . .
C144 C143 H143 119.2 . .
C143 C144 C139 117.4(4) . .
C143 C144 C145 120.3(4) . .
C139 C144 C145 122.3(4) . .
C146 C145 C150 117.9(5) . .
C146 C145 C144 120.9(4) . .
C150 C145 C144 121.2(4) . .
C147 C146 C145 121.4(5) . .
C147 C146 H146 119.3 . .
C145 C146 H146 119.3 . .
C146 C147 C148 120.4(5) . .
C146 C147 H147 119.8 . .
C148 C147 H147 119.8 . .
C147 C148 C149 119.3(5) . .
C147 C148 H148 120.4 . .
C149 C148 H148 120.4 . .
C150 C149 C148 120.2(5) . .
C150 C149 H149 119.9 . .
C148 C149 H149 119.9 . .
C149 C150 C145 120.9(5) . .
C149 C150 H150 119.5 . .
C145 C150 H150 119.5 . .
O26 C151 C152 120.4(4) . .
O26 C151 C156 119.4(4) . .
C152 C151 C156 120.1(4) . .
C151 C152 C153 120.5(5) . .
C151 C152 H152 119.7 . .
C153 C152 H152 119.7 . .
C154 C153 C152 119.8(5) . .
C154 C153 H153 120.1 . .
C152 C153 H153 120.1 . .
C153 C154 C155 119.7(5) . .
C153 C154 H154 120.1 . .
C155 C154 H154 120.1 . .
C154 C155 C156 121.9(5) . .
C154 C155 H155 119.0 . .
C156 C155 H155 119.0 . .
C155 C156 C151 117.8(5) . .
C155 C156 C157 120.5(4) . .
C151 C156 C157 121.7(4) . .
C162 C157 C158 118.3(5) . .
C162 C157 C156 121.3(4) . .
C158 C157 C156 120.5(4) . .
C159 C158 C157 120.6(5) . .
C159 C158 H158 119.7 . .
C157 C158 H158 119.7 . .
C160 C159 C158 120.2(5) . .
C160 C159 H159 119.9 . .
C158 C159 H159 119.9 . .
C159 C160 C161 120.0(5) . .
C159 C160 H160 120.0 . .
C161 C160 H160 120.0 . .
C160 C161 C162 119.8(5) . .
C160 C161 H161 120.1 . .
C162 C161 H161 120.1 . .
C157 C162 C161 121.1(5) . .
C157 C162 H162 119.4 . .
C161 C162 H162 119.4 . .
O27 C163 C164 120.0(4) . .
O27 C163 C168 120.0(4) . .
C164 C163 C168 119.8(4) . .
C163 C164 C165 121.6(5) . .
C163 C164 H164 119.2 . .
C165 C164 H164 119.2 . .
C164 C165 C166 119.5(5) . .
C164 C165 H165 120.3 . .
C166 C165 H165 120.3 . .
C167 C166 C165 118.6(5) . .
C167 C166 H166 120.7 . .
C165 C166 H166 120.7 . .
C166 C167 C168 122.9(5) . .
C166 C167 H167 118.6 . .
C168 C167 H167 118.6 . .
C167 C168 C163 117.5(5) . .
C167 C168 C169 120.4(4) . .
C163 C168 C169 122.0(4) . .
C170 C169 C174 118.6(5) . .
C170 C169 C168 119.7(5) . .
C174 C169 C168 121.6(5) . .
C169 C170 C171 120.6(6) . .
C169 C170 H170 119.7 . .
C171 C170 H170 119.7 . .
C172 C171 C170 119.9(6) . .
C172 C171 H171 120.1 . .
C170 C171 H171 120.1 . .
C171 C172 C173 120.4(6) . .
C171 C172 H172 119.8 . .
C173 C172 H172 119.8 . .
C174 C173 C172 119.0(6) . .
C174 C173 H173 120.5 . .
C172 C173 H173 120.5 . .
C173 C174 C169 121.5(5) . .
C173 C174 H174 119.3 . .
C169 C174 H174 119.3 . .
O28 C175 C176 120.9(4) . .
O28 C175 C180 119.0(4) . .
C176 C175 C180 120.1(4) . .
C175 C176 C177 120.7(4) . .
C175 C176 H176 119.7 . .
C177 C176 H176 119.7 . .
C178 C177 C176 119.4(5) . .
C178 C177 H177 120.3 . .
C176 C177 H177 120.3 . .
C179 C178 C177 120.1(4) . .
C179 C178 H178 119.9 . .
C177 C178 H178 119.9 . .
C178 C179 C180 121.7(4) . .
C178 C179 H179 119.1 . .
C180 C179 H179 119.1 . .
C179 C180 C175 118.0(5) . .
C179 C180 C181 120.1(4) . .
C175 C180 C181 121.8(4) . .
C186 C181 C182 118.0(5) . .
C186 C181 C180 121.6(4) . .
C182 C181 C180 120.3(4) . .
C183 C182 C181 121.0(5) . .
C183 C182 H182 119.5 . .
C181 C182 H182 119.5 . .
C184 C183 C182 120.6(5) . .
C184 C183 H183 119.7 . .
C182 C183 H183 119.7 . .
C183 C184 C185 119.4(5) . .
C183 C184 H184 120.3 . .
C185 C184 H184 120.3 . .
C186 C185 C184 120.1(5) . .
C186 C185 H185 120.0 . .
C184 C185 H185 120.0 . .
C185 C186 C181 120.9(5) . .
C185 C186 H186 119.6 . .
C181 C186 H186 119.6 . .
O29 C187 C192 120.3(4) . .
O29 C187 C188 120.0(4) . .
C192 C187 C188 119.6(4) . .
C189 C188 C187 121.0(4) . .
C189 C188 H188 119.5 . .
C187 C188 H188 119.5 . .
C190 C189 C188 119.3(5) . .
C190 C189 H189 120.3 . .
C188 C189 H189 120.3 . .
C189 C190 C191 120.1(4) . .
C189 C190 H190 120.0 . .
C191 C190 H190 120.0 . .
C190 C191 C192 121.2(4) . .
C190 C191 H191 119.4 . .
C192 C191 H191 119.4 . .
C191 C192 C187 118.7(4) . .
C191 C192 C193 119.9(4) . .
C187 C192 C193 121.4(4) . .
C198 C193 C194 118.1(5) . .
C198 C193 C192 120.7(4) . .
C194 C193 C192 121.1(4) . .
C195 C194 C193 120.3(5) . .
C195 C194 H194 119.8 . .
C193 C194 H194 119.8 . .
C196 C195 C194 120.5(5) . .
C196 C195 H195 119.7 . .
C194 C195 H195 119.7 . .
C197 C196 C195 119.4(5) . .
C197 C196 H196 120.3 . .
C195 C196 H196 120.3 . .
C198 C197 C196 120.3(5) . .
C198 C197 H197 119.9 . .
C196 C197 H197 119.9 . .
C197 C198 C193 121.3(5) . .
C197 C198 H198 119.4 . .
C193 C198 H198 119.4 . .
O30 C199 C200 120.5(4) . .
O30 C199 C204 118.6(4) . .
C200 C199 C204 120.9(4) . .
C199 C200 C201 120.4(5) . .
C199 C200 H200 119.8 . .
C201 C200 H200 119.8 . .
C202 C201 C200 119.5(5) . .
C202 C201 H201 120.3 . .
C200 C201 H201 120.3 . .
C203 C202 C201 119.9(4) . .
C203 C202 H202 120.1 . .
C201 C202 H202 120.1 . .
C202 C203 C204 122.1(4) . .
C202 C203 H203 119.0 . .
C204 C203 H203 119.0 . .
C199 C204 C203 117.3(5) . .
C199 C204 C205 121.7(4) . .
C203 C204 C205 121.0(4) . .
C206 C205 C210 118.6(5) . .
C206 C205 C204 121.5(4) . .
C210 C205 C204 119.8(4) . .
C205 C206 C207 121.2(5) . .
C205 C206 H206 119.4 . .
C207 C206 H206 119.4 . .
C208 C207 C206 119.7(5) . .
C208 C207 H207 120.1 . .
C206 C207 H207 120.1 . .
C207 C208 C209 120.2(5) . .
C207 C208 H208 119.9 . .
C209 C208 H208 119.9 . .
C208 C209 C210 119.9(5) . .
C208 C209 H209 120.1 . .
C210 C209 H209 120.1 . .
C209 C210 C205 120.3(5) . .
C209 C210 H210 119.8 . .
C205 C210 H210 119.8 . .
O34 C211 C216 120.8(5) . .
O34 C211 C212 119.9(5) . .
C216 C211 C212 119.3(5) . .
C213 C212 C211 120.5(6) . .
C213 C212 H212 119.8 . .
C211 C212 H212 119.8 . .
C214 C213 C212 120.0(6) . .
C214 C213 H213 120.0 . .
C212 C213 H213 120.0 . .
C213 C214 C215 119.8(6) . .
C213 C214 H214 120.1 . .
C215 C214 H214 120.1 . .
C216 C215 C214 120.9(6) . .
C216 C215 H215 119.5 . .
C214 C215 H215 119.5 . .
C211 C216 C215 119.3(5) . .
C211 C216 C217 120.0(5) . .
C215 C216 C217 120.7(5) . .
C218 C217 C222 119.0(5) . .
C218 C217 C216 121.4(5) . .
C222 C217 C216 119.6(5) . .
C219 C218 C217 120.3(6) . .
C219 C218 H218 119.9 . .
C217 C218 H218 119.9 . .
C218 C219 C220 120.6(6) . .
C218 C219 H219 119.7 . .
C220 C219 H219 119.7 . .
C221 C220 C219 119.6(6) . .
C221 C220 H220 120.2 . .
C219 C220 H220 120.2 . .
C220 C221 C222 120.3(6) . .
C220 C221 H221 119.8 . .
C222 C221 H221 119.8 . .
C221 C222 C217 120.1(6) . .
C221 C222 H222 119.9 . .
C217 C222 H222 119.9 . .
C223 O35 H35' 109.5 . .
O35 C223 C224 122.4(5) . .
O35 C223 C228 117.9(6) . .
C224 C223 C228 119.6(6) . .
C225 C224 C223 121.3(6) . .
C225 C224 H224 119.3 . .
C223 C224 H224 119.3 . .
C224 C225 C226 120.1(7) . .
C224 C225 H225 119.9 . .
C226 C225 H225 119.9 . .
C227 C226 C225 118.8(7) . .
C227 C226 H226 120.6 . .
C225 C226 H226 120.6 . .
C226 C227 C228 123.2(7) . .
C226 C227 H227 118.4 . .
C228 C227 H227 118.4 . .
C227 C228 C223 116.9(6) . .
C227 C228 C229 120.9(6) . .
C223 C228 C229 122.2(5) . .
C234 C229 C230 117.2(6) . .
C234 C229 C228 122.5(5) . .
C230 C229 C228 120.2(6) . .
C231 C230 C229 120.2(7) . .
C231 C230 H230 119.9 . .
C229 C230 H230 119.9 . .
C232 C231 C230 121.4(6) . .
C232 C231 H231 119.3 . .
C230 C231 H231 119.3 . .
C231 C232 C233 119.7(7) . .
C231 C232 H232 120.1 . .
C233 C232 H232 120.1 . .
C232 C233 C234 119.6(7) . .
C232 C233 H233 120.2 . .
C234 C233 H233 120.2 . .
C233 C234 C229 121.7(6) . .
C233 C234 H234 119.2 . .
C229 C234 H234 119.2 . .
C235 O36 H36' 109.5 . .
O36 C235 C236 120.7(6) . .
O36 C235 C240 117.8(5) . .
C236 C235 C240 121.5(5) . .
C235 C236 C237 120.3(7) . .
C235 C236 H236 119.9 . .
C237 C236 H236 119.9 . .
C238 C237 C236 120.3(8) . .
C238 C237 H237 119.9 . .
C236 C237 H237 119.9 . .
C239 C238 C237 119.4(7) . .
C239 C238 H238 120.3 . .
C237 C238 H238 120.3 . .
C238 C239 C240 122.5(7) . .
C238 C239 H239 118.8 . .
C240 C239 H239 118.8 . .
C235 C240 C239 116.0(6) . .
C235 C240 C241 124.0(5) . .
C239 C240 C241 119.9(6) . .
C246 C241 C242 117.9(6) . .
C246 C241 C240 122.1(6) . .
C242 C241 C240 120.0(5) . .
C243 C242 C241 121.6(6) . .
C243 C242 H242 119.2 . .
C241 C242 H242 119.2 . .
C244 C243 C242 119.1(7) . .
C244 C243 H243 120.5 . .
C242 C243 H243 120.5 . .
C243 C244 C245 119.5(7) . .
C243 C244 H244 120.3 . .
C245 C244 H244 120.3 . .
C246 C245 C244 120.8(6) . .
C246 C245 H245 119.6 . .
C244 C245 H245 119.6 . .
C245 C246 C241 121.0(6) . .
C245 C246 H246 119.5 . .
C241 C246 H246 119.5 . .
O37 Zn17 O40 110.82(18) . .
O37 Zn17 O38 115.18(18) . .
O40 Zn17 O38 104.44(18) . .
O37 Zn17 O39 117.59(19) . 2_666
O40 Zn17 O39 103.39(18) . 2_666
O38 Zn17 O39 103.98(18) . 2_666
O38 Zn18 O42 138.06(16) . .
O38 Zn18 O43 124.27(18) . .
O42 Zn18 O43 96.23(17) . .
O38 Zn18 O41 93.48(15) . 2_666
O42 Zn18 O41 96.46(14) . 2_666
O43 Zn18 O41 91.03(13) . 2_666
O39 Zn19 O44 136.21(17) . .
O39 Zn19 O42 125.40(18) . .
O44 Zn19 O42 96.62(17) . .
O39 Zn19 O41 93.95(15) . .
O44 Zn19 O41 97.07(14) . .
O42 Zn19 O41 91.33(14) . .
O40 Zn20 O43 138.81(16) . 2_666
O40 Zn20 O44 124.84(18) . .
O43 Zn20 O44 95.36(17) 2_666 .
O40 Zn20 O41 91.80(15) . 2_666
O43 Zn20 O41 97.22(14) 2_666 2_666
O44 Zn20 O41 90.04(13) . 2_666
C247 O37 Zn17 117.4(4) . .
Zn18 O38 Zn17 122.5(2) . .
Zn18 O38 H38' 111(5) . .
Zn17 O38 H38' 127(5) . .
Zn19 O39 Zn17 122.3(2) . 2_666
Zn19 O39 H39' 135(5) . .
Zn17 O39 H39' 103(5) 2_666 .
Zn20 O40 Zn17 124.5(2) . .
Zn20 O40 H40' 110(5) . .
Zn17 O40 H40' 122(5) . .
O41 O41 Zn19 102.2(3) 2_666 .
O41 O41 Zn20 102.9(3) 2_666 2_666
Zn19 O41 Zn20 114.86(15) . 2_666
O41 O41 Zn18 102.6(3) 2_666 2_666
Zn19 O41 Zn18 115.19(15) . 2_666
Zn20 O41 Zn18 116.20(15) 2_666 2_666
C265 O42 Zn18 118.1(3) . .
C265 O42 Zn19 124.4(4) . .
Zn18 O42 Zn19 108.09(16) . .
C277 O43 Zn20 116.6(3) . 2_666
C277 O43 Zn18 125.6(4) . .
Zn20 O43 Zn18 108.10(16) 2_666 .
C289 O44 Zn19 116.7(3) . .
C289 O44 Zn20 124.4(4) . .
Zn19 O44 Zn20 108.49(16) . .
O37 C247 C248 120.9(4) . .
O37 C247 C252 119.1(4) . .
C248 C247 C252 120.0 . .
C249 C248 C247 120.0 . .
C249 C248 H248 120.0 . .
C247 C248 H248 120.0 . .
C250 C249 C248 120.0 . .
C250 C249 H249 120.0 . .
C248 C249 H249 120.0 . .
C249 C250 C251 120.0 . .
C249 C250 H250 120.0 . .
C251 C250 H250 120.0 . .
C252 C251 C250 120.0 . .
C252 C251 H251 120.0 . .
C250 C251 H251 120.0 . .
C251 C252 C247 120.0 . .
C251 C252 C253 114.7(5) . .
C247 C252 C253 123.5(5) . .
C251 C252 C259 129.1(5) . .
C247 C252 C259 106.9(5) . .
C254 C253 C258 120.0 . .
C254 C253 C252 110.2(10) . .
C258 C253 C252 129.7(10) . .
C253 C254 C255 120.0 . .
C253 C254 H254 120.0 . .
C255 C254 H254 120.0 . .
C256 C255 C254 120.0 . .
C256 C255 H255 120.0 . .
C254 C255 H255 120.0 . .
C255 C256 C257 120.0 . .
C255 C256 H256 120.0 . .
C257 C256 H256 120.0 . .
C256 C257 C258 120.0 . .
C256 C257 H257 120.0 . .
C258 C257 H257 120.0 . .
C257 C258 C253 120.0 . .
C257 C258 H258 120.0 . .
C253 C258 H258 120.0 . .
C260 C259 C264 120.0 . .
C260 C259 C252 124.7(7) . .
C264 C259 C252 113.9(7) . .
C261 C260 C259 120.0 . .
C261 C260 H260 120.0 . .
C259 C260 H260 120.0 . .
C262 C261 C260 120.0 . .
C262 C261 H261 120.0 . .
C260 C261 H261 120.0 . .
C261 C262 C263 120.0 . .
C261 C262 H262 120.0 . .
C263 C262 H262 120.0 . .
C262 C263 C264 120.0 . .
C262 C263 H263 120.0 . .
C264 C263 H263 120.0 . .
C263 C264 C259 120.0 . .
C263 C264 H264 120.0 . .
C259 C264 H264 120.0 . .
Cl26 C13A Cl25 132.5(18) . .
Cl26 C13A H13A 104.1 . .
Cl25 C13A H13A 104.1 . .
Cl26 C13A H13B 104.1 . .
Cl25 C13A H13B 104.1 . .
H13A C13A H13B 105.5 . .
O42 C265 C266 120.0(5) . .
O42 C265 C270 120.5(6) . .
C266 C265 C270 119.5(5) . .
C265 C266 C267 121.3(6) . .
C265 C266 H266 119.4 . .
C267 C266 H266 119.4 . .
C268 C267 C266 118.4(6) . .
C268 C267 H267 120.8 . .
C266 C267 H267 120.8 . .
C267 C268 C269 120.5(5) . .
C267 C268 H268 119.8 . .
C269 C268 H268 119.8 . .
C268 C269 C270 122.0(5) . .
C268 C269 H269 119.0 . .
C270 C269 H269 119.0 . .
C269 C270 C265 118.4(6) . .
C269 C270 C271 119.8(5) . .
C265 C270 C271 121.8(5) . .
C272 C271 C276 119.1(6) . .
C272 C271 C270 120.0(5) . .
C276 C271 C270 120.8(6) . .
C271 C272 C273 120.8(6) . .
C271 C272 H272 119.6 . .
C273 C272 H272 119.6 . .
C274 C273 C272 118.2(6) . .
C274 C273 H273 120.9 . .
C272 C273 H273 120.9 . .
C275 C274 C273 122.7(7) . .
C275 C274 H274 118.6 . .
C273 C274 H274 118.6 . .
C274 C275 C276 119.0(6) . .
C274 C275 H275 120.5 . .
C276 C275 H275 120.5 . .
C271 C276 C275 120.1(6) . .
C271 C276 H276 119.9 . .
C275 C276 H276 119.9 . .
O43 C277 C278 120.0(5) . .
O43 C277 C282 120.6(6) . .
C278 C277 C282 119.4(5) . .
C277 C278 C279 121.4(5) . .
C277 C278 H278 119.3 . .
C279 C278 H278 119.3 . .
C280 C279 C278 118.9(6) . .
C280 C279 H279 120.6 . .
C278 C279 H279 120.6 . .
C281 C280 C279 119.6(5) . .
C281 C280 H280 120.2 . .
C279 C280 H280 120.2 . .
C280 C281 C282 122.4(5) . .
C280 C281 H281 118.8 . .
C282 C281 H281 118.8 . .
C281 C282 C277 118.3(6) . .
C281 C282 C283 120.4(5) . .
C277 C282 C283 121.2(5) . .
C288 C283 C284 118.5(6) . .
C288 C283 C282 121.5(5) . .
C284 C283 C282 120.0(5) . .
C285 C284 C283 120.6(6) . .
C285 C284 H284 119.7 . .
C283 C284 H284 119.7 . .
C286 C285 C284 119.8(6) . .
C286 C285 H285 120.1 . .
C284 C285 H285 120.1 . .
C285 C286 C287 121.8(7) . .
C285 C286 H286 119.1 . .
C287 C286 H286 119.1 . .
C286 C287 C288 119.0(6) . .
C286 C287 H287 120.5 . .
C288 C287 H287 120.5 . .
C283 C288 C287 120.3(6) . .
C283 C288 H288 119.9 . .
C287 C288 H288 119.9 . .
O44 C289 C294 120.3(6) . .
O44 C289 C290 119.4(6) . .
C294 C289 C290 120.2(6) . .
C291 C290 C289 120.9(6) . .
C291 C290 H290 119.5 . .
C289 C290 H290 119.5 . .
C292 C291 C290 118.9(7) . .
C292 C291 H291 120.6 . .
C290 C291 H291 120.6 . .
C293 C292 C291 120.2(6) . .
C293 C292 H292 119.9 . .
C291 C292 H292 119.9 . .
C292 C293 C294 122.2(6) . .
C292 C293 H293 118.9 . .
C294 C293 H293 118.9 . .
C289 C294 C293 117.5(7) . .
C289 C294 C295 122.2(5) . .
C293 C294 C295 120.3(6) . .
C296 C295 C300 118.3(7) . .
C296 C295 C294 120.5(6) . .
C300 C295 C294 121.2(6) . .
C295 C296 C297 121.3(7) . .
C295 C296 H296 119.4 . .
C297 C296 H296 119.4 . .
C298 C297 C296 119.4(7) . .
C298 C297 H297 120.3 . .
C296 C297 H297 120.3 . .
C297 C298 C299 120.4(8) . .
C297 C298 H298 119.8 . .
C299 C298 H298 119.8 . .
C298 C299 C300 120.3(7) . .
C298 C299 H299 119.8 . .
C300 C299 H299 119.8 . .
C295 C300 C299 120.2(6) . .
C295 C300 H300 119.9 . .
C299 C300 H300 119.9 . .
C301 O45 H45' 109.5 . .
O45 C301 C302 122.3(6) . .
O45 C301 C306 117.0(7) . .
C302 C301 C306 120.7(7) . .
C301 C302 C303 121.9(7) . .
C301 C302 H302 119.1 . .
C303 C302 H302 119.1 . .
C302 C303 C304 118.4(7) . .
C302 C303 H303 120.8 . .
C304 C303 H303 120.8 . .
C305 C304 C303 119.2(7) . .
C305 C304 H304 120.4 . .
C303 C304 H304 120.4 . .
C304 C305 C306 124.0(6) . .
C304 C305 H305 118.0 . .
C306 C305 H305 118.0 . .
C305 C306 C301 115.8(7) . .
C305 C306 C307 122.1(6) . .
C301 C306 C307 122.1(6) . .
C312 C307 C308 118.0(7) . .
C312 C307 C306 121.9(6) . .
C308 C307 C306 120.0(6) . .
C309 C308 C307 120.4(7) . .
C309 C308 H308 119.8 . .
C307 C308 H308 119.8 . .
C308 C309 C310 121.1(6) . .
C308 C309 H309 119.4 . .
C310 C309 H309 119.4 . .
C309 C310 C311 120.2(7) . .
C309 C310 H310 119.9 . .
C311 C310 H310 119.9 . .
C312 C311 C310 118.6(7) . .
C312 C311 H311 120.7 . .
C310 C311 H311 120.7 . .
C311 C312 C307 121.6(6) . .
C311 C312 H312 119.2 . .
C307 C312 H312 119.2 . .
O46 Zn21 O47 113.59(15) . 2_655
O46 Zn21 O48 116.66(15) . .
O47 Zn21 O48 104.01(16) 2_655 .
O46 Zn21 O49 114.13(15) . .
O47 Zn21 O49 104.36(16) 2_655 .
O48 Zn21 O49 102.63(15) . .
O47 Zn22 O51 137.32(16) . .
O47 Zn22 O52 124.08(16) . .
O51 Zn22 O52 97.19(15) . .
O47 Zn22 O50 93.14(13) . 2_655
O51 Zn22 O50 97.24(12) . 2_655
O52 Zn22 O50 90.47(12) . 2_655
O48 Zn23 O51 124.70(16) . .
O48 Zn23 O53 138.49(15) . 2_655
O51 Zn23 O53 95.37(15) . 2_655
O48 Zn23 O50 92.89(13) . .
O51 Zn23 O50 91.16(12) . .
O53 Zn23 O50 97.03(12) 2_655 .
O49 Zn24 O53 124.43(16) . .
O49 Zn24 O52 138.32(15) . .
O53 Zn24 O52 96.36(15) . .
O49 Zn24 O50 92.74(13) . .
O53 Zn24 O50 89.83(12) . .
O52 Zn24 O50 95.85(12) . .
C313 O46 Zn21 118.7(3) . .
Zn22 O47 Zn21 123.04(17) . 2_655
Zn22 O47 H47' 117(4) . .
Zn21 O47 H47' 120(4) 2_655 .
Zn23 O48 Zn21 123.56(17) . .
Zn23 O48 H48' 114(4) . .
Zn21 O48 H48' 120(4) . .
Zn24 O49 Zn21 123.12(17) . .
Zn24 O49 H49' 111(4) . .
Zn21 O49 H49' 121(4) . .
O50 O50 Zn23 102.0(2) 2_655 .
O50 O50 Zn22 102.0(2) 2_655 2_655
Zn23 O50 Zn22 115.30(13) . 2_655
O50 O50 Zn24 103.4(2) 2_655 .
Zn23 O50 Zn24 115.63(13) . .
Zn22 O50 Zn24 115.55(13) 2_655 .
C331 O51 Zn22 116.6(3) . .
C331 O51 Zn23 124.5(3) . .
Zn22 O51 Zn23 107.53(15) . .
C343 O52 Zn22 123.8(3) . .
C343 O52 Zn24 119.9(3) . .
Zn22 O52 Zn24 108.94(15) . .
C355 O53 Zn24 124.4(3) . .
C355 O53 Zn23 117.6(3) . 2_655
Zn24 O53 Zn23 108.44(15) . 2_655
O46 C313 C314 119.9(3) . .
O46 C313 C318 120.1(3) . .
C314 C313 C318 120.0 . .
C313 C314 C315 120.0 . .
C313 C314 H314 120.0 . .
C315 C314 H314 120.0 . .
C316 C315 C314 120.0 . .
C316 C315 H315 120.0 . .
C314 C315 H315 120.0 . .
C315 C316 C317 120.0 . .
C315 C316 H316 120.0 . .
C317 C316 H316 120.0 . .
C318 C317 C316 120.0 . .
C318 C317 H317 120.0 . .
C316 C317 H317 120.0 . .
C325 C318 C317 107.5(6) . .
C325 C318 C313 132.3(6) . .
C317 C318 C313 120.0 . .
C317 C318 C319 124.9(4) . .
C313 C318 C319 115.0(4) . .
C320 C319 C324 120.0 . .
C320 C319 C318 119.1(5) . .
C324 C319 C318 120.8(5) . .
C319 C320 C321 120.0 . .
C319 C320 H320 120.0 . .
C321 C320 H320 120.0 . .
C322 C321 C320 120.0 . .
C322 C321 H321 120.0 . .
C320 C321 H321 120.0 . .
C321 C322 C323 120.0 . .
C321 C322 H322 120.0 . .
C323 C322 H322 120.0 . .
C322 C323 C324 120.0 . .
C322 C323 H323 120.0 . .
C324 C323 H323 120.0 . .
C323 C324 C319 120.0 . .
C323 C324 H324 120.0 . .
C319 C324 H324 120.0 . .
Cl28 C14A Cl27 109.5(8) . .
Cl28 C14A H14A 109.8 . .
Cl27 C14A H14A 109.8 . .
Cl28 C14A H14B 109.8 . .
Cl27 C14A H14B 109.8 . .
H14A C14A H14B 108.2 . .
O54 C367 C368 119.8(7) . .
O54 C367 C372 120.2(7) . .
C368 C367 C372 120.0 . .
C367 C368 C369 120.0 . .
C367 C368 H368 120.0 . .
C369 C368 H368 120.0 . .
C370 C369 C368 120.0 . .
C370 C369 H369 120.0 . .
C368 C369 H369 120.0 . .
C371 C370 C369 120.0 . .
C371 C370 H370 120.0 . .
C369 C370 H370 120.0 . .
C372 C371 C370 120.0 . .
C372 C371 H371 120.0 . .
C370 C371 H371 120.0 . .
C371 C372 C367 120.0 . .
C371 C372 C373 117.7(6) . .
C367 C372 C373 122.3(6) . .
C374 C373 C378 120.0 . .
C374 C373 C372 118.7(6) . .
C378 C373 C372 121.2(6) . .
C375 C374 C373 120.0 . .
C375 C374 H374 120.0 . .
C373 C374 H374 120.0 . .
C376 C375 C374 120.0 . .
C376 C375 H375 120.0 . .
C374 C375 H375 120.0 . .
C375 C376 C377 120.0 . .
C375 C376 H376 120.0 . .
C377 C376 H376 120.0 . .
C378 C377 C376 120.0 . .
C378 C377 H377 120.0 . .
C376 C377 H377 120.0 . .
C377 C378 C373 120.0 . .
C377 C378 H378 120.0 . .
C373 C378 H378 120.0 . .
C318 C325 C326 115.2(8) . .
C318 C325 C330 124.7(8) . .
C326 C325 C330 120.0 . .
C327 C326 C325 120.0 . .
C327 C326 H326 120.0 . .
C325 C326 H326 120.0 . .
C328 C327 C326 120.0 . .
C328 C327 H327 120.0 . .
C326 C327 H327 120.0 . .
C327 C328 C329 120.0 . .
C327 C328 H328 120.0 . .
C329 C328 H328 120.0 . .
C330 C329 C328 120.0 . .
C330 C329 H329 120.0 . .
C328 C329 H329 120.0 . .
C329 C330 C325 120.0 . .
C329 C330 H330 120.0 . .
C325 C330 H330 120.0 . .
C379 O55 H55' 109.5 . .
O55 C379 C380 121.2(8) . .
O55 C379 C384 118.7(8) . .
C380 C379 C384 120.0 . .
C381 C380 C379 120.0 . .
C381 C380 H380 120.0 . .
C379 C380 H380 120.0 . .
C380 C381 C382 120.0 . .
C380 C381 H381 120.0 . .
C382 C381 H381 120.0 . .
C383 C382 C381 120.0 . .
C383 C382 H382 120.0 . .
C381 C382 H382 120.0 . .
C382 C383 C384 120.0 . .
C382 C383 H383 120.0 . .
C384 C383 H383 120.0 . .
C383 C384 C379 120.0 . .
C383 C384 C385 118.7(9) . .
C379 C384 C385 121.3(9) . .
C386 C385 C390 120.0 . .
C386 C385 C384 120.3(8) . .
C390 C385 C384 119.7(8) . .
C387 C386 C385 120.0 . .
C387 C386 H386 120.0 . .
C385 C386 H386 120.0 . .
C386 C387 C388 120.0 . .
C386 C387 H387 120.0 . .
C388 C387 H387 120.0 . .
C387 C388 C389 120.0 . .
C387 C388 H388 120.0 . .
C389 C388 H388 120.0 . .
C390 C389 C388 120.0 . .
C390 C389 H389 120.0 . .
C388 C389 H389 120.0 . .
C389 C390 C385 120.0 . .
C389 C390 H390 120.0 . .
C385 C390 H390 120.0 . .
O51 C331 C336 120.7(4) . .
O51 C331 C332 119.9(4) . .
C336 C331 C332 119.3(4) . .
C331 C332 C333 121.1(5) . .
C331 C332 H332 119.5 . .
C333 C332 H332 119.5 . .
C334 C333 C332 119.3(5) . .
C334 C333 H333 120.4 . .
C332 C333 H333 120.4 . .
C333 C334 C335 120.4(4) . .
C333 C334 H334 119.8 . .
C335 C334 H334 119.8 . .
C334 C335 C336 121.5(4) . .
C334 C335 H335 119.2 . .
C336 C335 H335 119.2 . .
C335 C336 C331 118.3(5) . .
C335 C336 C337 119.6(4) . .
C331 C336 C337 122.0(4) . .
C338 C337 C342 118.7(5) . .
C338 C337 C336 120.6(5) . .
C342 C337 C336 120.6(5) . .
C337 C338 C339 121.3(5) . .
C337 C338 H338 119.4 . .
C339 C338 H338 119.4 . .
C340 C339 C338 119.1(5) . .
C340 C339 H339 120.4 . .
C338 C339 H339 120.4 . .
C339 C340 C341 121.2(6) . .
C339 C340 H340 119.4 . .
C341 C340 H340 119.4 . .
C340 C341 C342 119.9(5) . .
C340 C341 H341 120.0 . .
C342 C341 H341 120.0 . .
C341 C342 C337 119.7(5) . .
C341 C342 H342 120.1 . .
C337 C342 H342 120.1 . .
O52 C343 C344 121.1(4) . .
O52 C343 C348 119.7(5) . .
C344 C343 C348 119.2(5) . .
C343 C344 C345 121.7(5) . .
C343 C344 H344 119.1 . .
C345 C344 H344 119.1 . .
C346 C345 C344 118.5(5) . .
C346 C345 H345 120.8 . .
C344 C345 H345 120.8 . .
C347 C346 C345 120.2(4) . .
C347 C346 H346 119.9 . .
C345 C346 H346 119.9 . .
C346 C347 C348 122.1(5) . .
C346 C347 H347 118.9 . .
C348 C347 H347 118.9 . .
C347 C348 C343 118.3(5) . .
C347 C348 C349 120.4(4) . .
C343 C348 C349 121.2(4) . .
C350 C349 C354 119.5(6) . .
C350 C349 C348 119.2(5) . .
C354 C349 C348 121.2(5) . .
C349 C350 C351 120.4(6) . .
C349 C350 H350 119.8 . .
C351 C350 H350 119.8 . .
C352 C351 C350 117.8(6) . .
C352 C351 H351 121.1 . .
C350 C351 H351 121.1 . .
C351 C352 C353 123.6(6) . .
C351 C352 H352 118.2 . .
C353 C352 H352 118.2 . .
C354 C353 C352 118.3(6) . .
C354 C353 H353 120.8 . .
C352 C353 H353 120.8 . .
C353 C354 C349 120.3(5) . .
C353 C354 H354 119.8 . .
C349 C354 H354 119.8 . .
O53 C355 C356 120.9(4) . .
O53 C355 C360 120.0(5) . .
C356 C355 C360 119.0(5) . .
C357 C356 C355 121.2(5) . .
C357 C356 H356 119.4 . .
C355 C356 H356 119.4 . .
C358 C357 C356 119.4(5) . .
C358 C357 H357 120.3 . .
C356 C357 H357 120.3 . .
C359 C358 C357 119.9(5) . .
C359 C358 H358 120.0 . .
C357 C358 H358 120.0 . .
C358 C359 C360 121.8(5) . .
C358 C359 H359 119.1 . .
C360 C359 H359 119.1 . .
C359 C360 C355 118.6(5) . .
C359 C360 C361 120.1(4) . .
C355 C360 C361 121.2(5) . .
C362 C361 C366 118.1(6) . .
C362 C361 C360 120.7(5) . .
C366 C361 C360 121.2(5) . .
C361 C362 C363 122.0(6) . .
C361 C362 H362 119.0 . .
C363 C362 H362 119.0 . .
C364 C363 C362 118.0(6) . .
C364 C363 H363 121.0 . .
C362 C363 H363 121.0 . .
C365 C364 C363 122.5(6) . .
C365 C364 H364 118.7 . .
C363 C364 H364 118.7 . .
C364 C365 C366 118.8(6) . .
C364 C365 H365 120.6 . .
C366 C365 H365 120.6 . .
C361 C366 C365 120.5(6) . .
C361 C366 H366 119.8 . .
C365 C366 H366 119.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1A Cl1 1.706(9) .
C1A Cl2 1.766(9) .
C1A H1A 0.9900 .
C1A H1B 0.9900 .
C2A Cl3 1.554(14) .
C2A Cl4 1.655(13) .
C2A H2A 0.9900 .
C2A H2B 0.9900 .
C3A Cl5 1.623(12) .
C3A Cl6 1.715(16) .
C3A H3A 0.9900 .
C3A H3B 0.9900 .
C4A Cl7 1.827(15) .
C4A Cl8 1.846(17) .
C4A H4A 0.9900 .
C4A H4B 0.9900 .
C5A Cl9 1.63(3) .
C5A Cl10 1.87(2) .
C5A H5A 0.9900 .
C5A H5B 0.9900 .
C6A Cl11 1.462(11) .
C6A Cl12 1.499(11) .
C6A H6A 0.9900 .
C6A H6B 0.9900 .
C8A Cl15 1.610(17) .
C8A Cl16 1.722(17) .
C8A H8A 0.9900 .
C8A H8B 0.9900 .
C7A Cl14 1.60(3) .
C7A Cl13 1.69(3) .
C7A H7A 0.9900 .
C7A H7B 0.9900 .
C9A Cl17 1.645(13) .
C9A Cl18 1.783(13) .
C9A H9A 0.9900 .
C9A H9B 0.9900 .
C10A Cl19 1.628(13) .
C10A Cl20 1.755(13) .
C10A H10A 0.9900 .
C10A H10B 0.9900 .
Zn1 O1 1.901(3) .
Zn1 O4 1.932(3) .
Zn1 O2 1.946(3) .
Zn1 O3 1.948(3) .
Zn2 O2 1.895(3) .
Zn2 O7 1.962(3) .
Zn2 O8 1.973(3) .
Zn2 O5 2.130(3) .
Zn3 O3 1.875(3) .
Zn3 O10 1.974(3) .
Zn3 O9 1.976(3) .
Zn3 O5 2.146(3) .
Zn3 Zn7 3.1397(11) .
Zn4 O4 1.885(4) .
Zn4 O12 1.959(3) .
Zn4 O11 1.973(3) .
Zn4 O5 2.126(3) .
Zn4 Zn5 3.1406(12) .
Zn5 O13 1.879(3) .
Zn5 O10 1.970(3) .
Zn5 O11 1.975(3) .
Zn5 O6 2.109(3) .
Zn6 O14 1.864(3) .
Zn6 O12 1.968(3) .
Zn6 O7 1.977(3) .
Zn6 O6 2.141(3) .
Zn7 O15 1.880(3) .
Zn7 O9 1.963(3) .
Zn7 O8 1.981(3) .
Zn7 O6 2.101(3) .
Zn8 O16 1.899(3) .
Zn8 O13 1.942(3) .
Zn8 O15 1.951(3) .
Zn8 O14 1.958(3) .
O1 C1 1.346(6) .
O2 H2' 0.840(2) .
O3 H3' 0.840(2) .
O4 H4' 0.840(2) .
O5 O6 1.527(4) .
O7 C13 1.371(5) .
O8 C25 1.366(5) .
O9 C37 1.375(5) .
O10 C49 1.378(5) .
O11 C61 1.375(5) .
O12 C73 1.369(5) .
O13 H13' 0.840(2) .
O14 H14' 0.840(2) .
O15 H15' 0.840(2) .
O16 C85 1.338(6) .
C1 C2 1.393(8) .
C1 C6 1.398(7) .
C2 C3 1.374(8) .
C2 H2 0.9500 .
C3 C4 1.381(8) .
C3 H3 0.9500 .
C4 C5 1.377(8) .
C4 H4 0.9500 .
C5 C6 1.403(7) .
C5 H5 0.9500 .
C6 C7 1.496(7) .
C7 C8 1.389(7) .
C7 C12 1.395(7) .
C8 C9 1.384(8) .
C8 H8 0.9500 .
C9 C10 1.379(8) .
C9 H9 0.9500 .
C10 C11 1.392(9) .
C10 H10 0.9500 .
C11 C12 1.388(8) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C14 1.394(7) .
C13 C18 1.401(6) .
C14 C15 1.395(7) .
C14 H14 0.9500 .
C15 C16 1.387(7) .
C15 H15 0.9500 .
C16 C17 1.388(7) .
C16 H16 0.9500 .
C17 C18 1.397(6) .
C17 H17 0.9500 .
C18 C19 1.487(7) .
C19 C20 1.387(7) .
C19 C24 1.395(7) .
C20 C21 1.421(8) .
C20 H20 0.9500 .
C21 C22 1.357(8) .
C21 H21 0.9500 .
C22 C23 1.386(7) .
C22 H22 0.9500 .
C23 C24 1.409(7) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C25 C26 1.400(7) .
C25 C30 1.401(6) .
C26 C27 1.379(7) .
C26 H26 0.9500 .
C27 C28 1.392(7) .
C27 H27 0.9500 .
C28 C29 1.376(7) .
C28 H28 0.9500 .
C29 C30 1.413(6) .
C29 H29 0.9500 .
C30 C31 1.487(7) .
C31 C36 1.394(7) .
C31 C32 1.405(7) .
C32 C33 1.390(8) .
C32 H32 0.9500 .
C33 C34 1.371(8) .
C33 H33 0.9500 .
C34 C35 1.391(8) .
C34 H34 0.9500 .
C35 C36 1.394(7) .
C35 H35 0.9500 .
C36 H36 0.9500 .
C37 C38 1.388(7) .
C37 C42 1.408(6) .
C38 C39 1.412(7) .
C38 H38 0.9500 .
C39 C40 1.388(7) .
C39 H39 0.9500 .
C40 C41 1.384(7) .
C40 H40 0.9500 .
C41 C42 1.409(6) .
C41 H41 0.9500 .
C42 C43 1.490(7) .
C43 C44 1.386(7) .
C43 C48 1.408(7) .
C44 C45 1.399(8) .
C44 H44 0.9500 .
C45 C46 1.395(8) .
C45 H45 0.9500 .
C46 C47 1.385(7) .
C46 H46 0.9500 .
C47 C48 1.371(7) .
C47 H47 0.9500 .
C48 H48 0.9500 .
C49 C50 1.391(7) .
C49 C54 1.402(6) .
C50 C51 1.391(6) .
C50 H50 0.9500 .
C51 C52 1.388(7) .
C51 H51 0.9500 .
C52 C53 1.389(7) .
C52 H52 0.9500 .
C53 C54 1.389(6) .
C53 H53 0.9500 .
C54 C55 1.484(7) .
C55 C60 1.394(7) .
C55 C56 1.399(7) .
C56 C57 1.388(7) .
C56 H56 0.9500 .
C57 C58 1.375(8) .
C57 H57 0.9500 .
C58 C59 1.387(8) .
C58 H58 0.9500 .
C59 C60 1.381(7) .
C59 H59 0.9500 .
C60 H60 0.9500 .
C61 C62 1.393(7) .
C61 C66 1.400(7) .
C62 C63 1.394(7) .
C62 H62 0.9500 .
C63 C64 1.380(7) .
C63 H63 0.9500 .
C64 C65 1.375(7) .
C64 H64 0.9500 .
C65 C66 1.412(6) .
C65 H65 0.9500 .
C66 C67 1.489(7) .
C67 C68 1.373(7) .
C67 C72 1.416(7) .
C68 C69 1.389(8) .
C68 H68 0.9500 .
C69 C70 1.366(9) .
C69 H69 0.9500 .
C70 C71 1.376(8) .
C70 H70 0.9500 .
C71 C72 1.393(7) .
C71 H71 0.9500 .
C72 H72 0.9500 .
C73 C74 1.400(7) .
C73 C78 1.415(6) .
C74 C75 1.397(7) .
C74 H74 0.9500 .
C75 C76 1.372(7) .
C75 H75 0.9500 .
C76 C77 1.377(7) .
C76 H76 0.9500 .
C77 C78 1.405(6) .
C77 H77 0.9500 .
C78 C79 1.493(7) .
C79 C84 1.394(7) .
C79 C80 1.402(7) .
C80 C81 1.404(8) .
C80 H80 0.9500 .
C81 C82 1.367(8) .
C81 H81 0.9500 .
C82 C83 1.383(7) .
C82 H82 0.9500 .
C83 C84 1.397(7) .
C83 H83 0.9500 .
C84 H84 0.9500 .
C85 C86 1.382(7) .
C85 C90 1.419(7) .
C86 C87 1.385(8) .
C86 H86 0.9500 .
C87 C88 1.374(8) .
C87 H87 0.9500 .
C88 C89 1.378(8) .
C88 H88 0.9500 .
C89 C90 1.403(7) .
C89 H89 0.9500 .
C90 C91 1.478(7) .
C91 C92 1.392(8) .
C91 C96 1.399(8) .
C92 C93 1.392(8) .
C92 H92 0.9500 .
C93 C94 1.352(9) .
C93 H93 0.9500 .
C94 C95 1.399(9) .
C94 H94 0.9500 .
C95 C96 1.381(9) .
C95 H95 0.9500 .
C96 H96 0.9500 .
O17 C97 1.352(5) .
O17 H17' 0.8400 .
C97 C98 1.3900 .
C97 C102 1.3900 .
C98 C99 1.3900 .
C98 H98 0.9500 .
C99 C100 1.3900 .
C99 H99 0.9500 .
C100 C101 1.3900 .
C100 H100 0.9500 .
C101 C102 1.3900 .
C101 H101 0.9500 .
C102 C109 1.480(13) .
C102 C103 1.519(10) .
C103 C104 1.3900 .
C103 C108 1.3900 .
C104 C105 1.3900 .
C104 H104 0.9500 .
C105 C106 1.3900 .
C105 H105 0.9500 .
C106 C107 1.3900 .
C106 H106 0.9500 .
C107 C108 1.3900 .
C107 H107 0.9500 .
C108 H108 0.9500 .
C11A Cl21 1.565(14) .
C11A Cl22 1.755(15) .
C11A H11A 0.9900 .
C11A H11B 0.9900 .
C109 C110 1.389(14) .
C109 C114 1.426(15) .
C110 C111 1.420(15) .
C110 H110 0.9500 .
C111 C112 1.311(14) .
C111 H111 0.9500 .
C112 C113 1.416(14) .
C112 H112 0.9500 .
C113 C114 1.402(14) .
C113 H113 0.9500 .
C114 H114 0.9500 .
C12A Cl23 1.551(14) .
C12A Cl24 1.727(14) .
C12A H12A 0.9900 .
C12A H12B 0.9900 .
O18 C115 1.346(7) .
O18 H18' 0.8400 .
C115 C116 1.388(8) .
C115 C120 1.422(8) .
C116 C117 1.379(9) .
C116 H116 0.9500 .
C117 C118 1.378(10) .
C117 H117 0.9500 .
C118 C119 1.367(10) .
C118 H118 0.9500 .
C119 C120 1.379(9) .
C119 H119 0.9500 .
C120 C121 1.480(9) .
C121 C126 1.387(9) .
C121 C122 1.414(8) .
C122 C123 1.407(11) .
C122 H122 0.9500 .
C123 C124 1.329(13) .
C123 H123 0.9500 .
C124 C125 1.403(12) .
C124 H124 0.9500 .
C125 C126 1.383(9) .
C125 H125 0.9500 .
C126 H126 0.9500 .
Zn9 O19 1.901(4) .
Zn9 O21 1.940(3) .
Zn9 O20 1.941(3) .
Zn9 O22 1.953(3) .
Zn10 O20 1.879(3) .
Zn10 O26 1.970(3) .
Zn10 O25 1.979(3) .
Zn10 O23 2.099(3) .
Zn10 Zn15 3.1428(12) .
Zn11 O21 1.893(3) .
Zn11 O28 1.971(3) .
Zn11 O27 1.983(3) .
Zn11 O23 2.105(3) .
Zn11 Zn13 3.1555(11) .
Zn12 O22 1.871(3) .
Zn12 O30 1.966(3) .
Zn12 O29 1.976(3) .
Zn12 O23 2.133(3) .
Zn13 O31 1.875(3) .
Zn13 O29 1.974(3) .
Zn13 O28 1.981(3) .
Zn13 O24 2.128(3) .
Zn14 O32 1.879(3) .
Zn14 O25 1.976(3) .
Zn14 O30 1.978(3) .
Zn14 O24 2.150(3) .
Zn15 O33 1.874(3) .
Zn15 O26 1.969(3) .
Zn15 O27 1.971(3) .
Zn15 O24 2.127(3) .
Zn16 O34 1.902(3) .
Zn16 O32 1.948(3) .
Zn16 O33 1.956(3) .
Zn16 O31 1.971(3) .
O19 C127 1.347(6) .
O20 H20' 0.840(2) .
O21 H21' 0.840(2) .
O22 H22' 0.840(2) .
O23 O24 1.522(4) .
O25 C139 1.378(5) .
O26 C151 1.363(5) .
O27 C163 1.371(5) .
O28 C175 1.367(5) .
O29 C187 1.360(5) .
O30 C199 1.380(5) .
O31 H31' 0.840(2) .
O32 H32' 0.840(2) .
O33 H33' 0.840(2) .
O34 C211 1.365(6) .
C127 C128 1.396(8) .
C127 C132 1.397(7) .
C128 C129 1.392(8) .
C128 H128 0.9500 .
C129 C130 1.380(9) .
C129 H129 0.9500 .
C130 C131 1.349(9) .
C130 H130 0.9500 .
C131 C132 1.422(8) .
C131 H131 0.9500 .
C132 C133 1.455(9) .
C133 C138 1.363(9) .
C133 C134 1.416(9) .
C134 C135 1.397(12) .
C134 H134 0.9500 .
C135 C136 1.437(15) .
C135 H135 0.9500 .
C136 C137 1.346(11) .
C136 H136 0.9500 .
C137 C138 1.388(9) .
C137 H137 0.9500 .
C138 H138 0.9500 .
C139 C140 1.382(7) .
C139 C144 1.406(6) .
C140 C141 1.398(6) .
C140 H140 0.9500 .
C141 C142 1.377(7) .
C141 H141 0.9500 .
C142 C143 1.384(7) .
C142 H142 0.9500 .
C143 C144 1.399(6) .
C143 H143 0.9500 .
C144 C145 1.480(7) .
C145 C146 1.388(6) .
C145 C150 1.401(6) .
C146 C147 1.381(7) .
C146 H146 0.9500 .
C147 C148 1.381(7) .
C147 H147 0.9500 .
C148 C149 1.392(7) .
C148 H148 0.9500 .
C149 C150 1.385(7) .
C149 H149 0.9500 .
C150 H150 0.9500 .
C151 C152 1.398(7) .
C151 C156 1.405(6) .
C152 C153 1.398(7) .
C152 H152 0.9500 .
C153 C154 1.378(7) .
C153 H153 0.9500 .
C154 C155 1.388(7) .
C154 H154 0.9500 .
C155 C156 1.404(6) .
C155 H155 0.9500 .
C156 C157 1.485(7) .
C157 C162 1.399(7) .
C157 C158 1.411(7) .
C158 C159 1.397(8) .
C158 H158 0.9500 .
C159 C160 1.392(8) .
C159 H159 0.9500 .
C160 C161 1.394(7) .
C160 H160 0.9500 .
C161 C162 1.400(7) .
C161 H161 0.9500 .
C162 H162 0.9500 .
C163 C164 1.388(7) .
C163 C168 1.407(6) .
C164 C165 1.395(7) .
C164 H164 0.9500 .
C165 C166 1.396(7) .
C165 H165 0.9500 .
C166 C167 1.387(8) .
C166 H166 0.9500 .
C167 C168 1.407(7) .
C167 H167 0.9500 .
C168 C169 1.483(7) .
C169 C170 1.386(7) .
C169 C174 1.398(7) .
C170 C171 1.394(8) .
C170 H170 0.9500 .
C171 C172 1.385(9) .
C171 H171 0.9500 .
C172 C173 1.394(8) .
C172 H172 0.9500 .
C173 C174 1.385(8) .
C173 H173 0.9500 .
C174 H174 0.9500 .
C175 C176 1.378(7) .
C175 C180 1.414(6) .
C176 C177 1.413(6) .
C176 H176 0.9500 .
C177 C178 1.381(7) .
C177 H177 0.9500 .
C178 C179 1.376(7) .
C178 H178 0.9500 .
C179 C180 1.404(6) .
C179 H179 0.9500 .
C180 C181 1.491(7) .
C181 C186 1.398(6) .
C181 C182 1.398(6) .
C182 C183 1.382(7) .
C182 H182 0.9500 .
C183 C184 1.372(7) .
C183 H183 0.9500 .
C184 C185 1.399(7) .
C184 H184 0.9500 .
C185 C186 1.383(7) .
C185 H185 0.9500 .
C186 H186 0.9500 .
C187 C192 1.402(6) .
C187 C188 1.406(6) .
C188 C189 1.392(6) .
C188 H188 0.9500 .
C189 C190 1.391(7) .
C189 H189 0.9500 .
C190 C191 1.394(7) .
C190 H190 0.9500 .
C191 C192 1.400(6) .
C191 H191 0.9500 .
C192 C193 1.487(6) .
C193 C198 1.394(7) .
C193 C194 1.406(6) .
C194 C195 1.392(7) .
C194 H194 0.9500 .
C195 C196 1.389(7) .
C195 H195 0.9500 .
C196 C197 1.386(8) .
C196 H196 0.9500 .
C197 C198 1.385(8) .
C197 H197 0.9500 .
C198 H198 0.9500 .
C199 C200 1.386(7) .
C199 C204 1.397(6) .
C200 C201 1.399(6) .
C200 H200 0.9500 .
C201 C202 1.380(7) .
C201 H201 0.9500 .
C202 C203 1.375(7) .
C202 H202 0.9500 .
C203 C204 1.407(6) .
C203 H203 0.9500 .
C204 C205 1.489(7) .
C205 C206 1.380(6) .
C205 C210 1.401(7) .
C206 C207 1.397(7) .
C206 H206 0.9500 .
C207 C208 1.378(7) .
C207 H207 0.9500 .
C208 C209 1.384(7) .
C208 H208 0.9500 .
C209 C210 1.398(7) .
C209 H209 0.9500 .
C210 H210 0.9500 .
C211 C216 1.385(7) .
C211 C212 1.399(8) .
C212 C213 1.392(8) .
C212 H212 0.9500 .
C213 C214 1.359(9) .
C213 H213 0.9500 .
C214 C215 1.395(9) .
C214 H214 0.9500 .
C215 C216 1.386(8) .
C215 H215 0.9500 .
C216 C217 1.493(8) .
C217 C218 1.398(7) .
C217 C222 1.404(8) .
C218 C219 1.376(8) .
C218 H218 0.9500 .
C219 C220 1.394(9) .
C219 H219 0.9500 .
C220 C221 1.384(8) .
C220 H220 0.9500 .
C221 C222 1.388(8) .
C221 H221 0.9500 .
C222 H222 0.9500 .
O35 C223 1.342(7) .
O35 H35' 0.8400 .
C223 C224 1.393(8) .
C223 C228 1.419(8) .
C224 C225 1.386(9) .
C224 H224 0.9500 .
C225 C226 1.389(10) .
C225 H225 0.9500 .
C226 C227 1.374(10) .
C226 H226 0.9500 .
C227 C228 1.411(9) .
C227 H227 0.9500 .
C228 C229 1.490(9) .
C229 C234 1.393(8) .
C229 C230 1.405(8) .
C230 C231 1.384(11) .
C230 H230 0.9500 .
C231 C232 1.356(11) .
C231 H231 0.9500 .
C232 C233 1.383(9) .
C232 H232 0.9500 .
C233 C234 1.384(9) .
C233 H233 0.9500 .
C234 H234 0.9500 .
O36 C235 1.362(6) .
O36 H36' 0.8400 .
C235 C236 1.381(9) .
C235 C240 1.406(8) .
C236 C237 1.384(9) .
C236 H236 0.9500 .
C237 C238 1.383(11) .
C237 H237 0.9500 .
C238 C239 1.369(11) .
C238 H238 0.9500 .
C239 C240 1.422(8) .
C239 H239 0.9500 .
C240 C241 1.472(9) .
C241 C246 1.389(8) .
C241 C242 1.394(8) .
C242 C243 1.393(10) .
C242 H242 0.9500 .
C243 C244 1.387(10) .
C243 H243 0.9500 .
C244 C245 1.391(9) .
C244 H244 0.9500 .
C245 C246 1.369(9) .
C245 H245 0.9500 .
C246 H246 0.9500 .
Zn17 O37 1.900(5) .
Zn17 O40 1.933(4) .
Zn17 O38 1.951(4) .
Zn17 O39 1.951(4) 2_666
Zn18 O38 1.883(5) .
Zn18 O42 1.970(4) .
Zn18 O43 1.975(3) .
Zn18 O41 2.127(3) 2_666
Zn19 O39 1.876(5) .
Zn19 O44 1.971(4) .
Zn19 O42 1.973(4) .
Zn19 O41 2.101(3) .
Zn20 O40 1.891(5) .
Zn20 O43 1.968(4) 2_666
Zn20 O44 1.976(4) .
Zn20 O41 2.123(3) 2_666
O37 C247 1.349(5) .
O38 H38' 0.840(2) .
O39 Zn17 1.951(4) 2_666
O39 H39' 0.840(2) .
O40 H40' 0.840(2) .
O41 O41 1.518(7) 2_666
O41 Zn20 2.123(3) 2_666
O41 Zn18 2.127(3) 2_666
O42 C265 1.367(6) .
O43 C277 1.375(6) .
O43 Zn20 1.968(4) 2_666
O44 C289 1.386(6) .
C247 C248 1.3900 .
C247 C252 1.3900 .
C248 C249 1.3900 .
C248 H248 0.9500 .
C249 C250 1.3900 .
C249 H249 0.9500 .
C250 C251 1.3900 .
C250 H250 0.9500 .
C251 C252 1.3900 .
C251 H251 0.9500 .
C252 C253 1.509(8) .
C252 C259 1.604(9) .
C253 C254 1.3900 .
C253 C258 1.3900 .
C254 C255 1.3900 .
C254 H254 0.9500 .
C255 C256 1.3900 .
C255 H255 0.9500 .
C256 C257 1.3900 .
C256 H256 0.9500 .
C257 C258 1.3900 .
C257 H257 0.9500 .
C258 H258 0.9500 .
C259 C260 1.3900 .
C259 C264 1.3900 .
C260 C261 1.3900 .
C260 H260 0.9500 .
C261 C262 1.3900 .
C261 H261 0.9500 .
C262 C263 1.3900 .
C262 H262 0.9500 .
C263 C264 1.3900 .
C263 H263 0.9500 .
C264 H264 0.9500 .
C13A Cl26 1.41(2) .
C13A Cl25 1.75(2) .
C13A H13A 0.9900 .
C13A H13B 0.9900 .
C265 C266 1.397(9) .
C265 C270 1.402(7) .
C266 C267 1.419(8) .
C266 H266 0.9500 .
C267 C268 1.378(8) .
C267 H267 0.9500 .
C268 C269 1.384(8) .
C268 H268 0.9500 .
C269 C270 1.398(7) .
C269 H269 0.9500 .
C270 C271 1.507(9) .
C271 C272 1.388(8) .
C271 C276 1.399(7) .
C272 C273 1.408(9) .
C272 H272 0.9500 .
C273 C274 1.370(8) .
C273 H273 0.9500 .
C274 C275 1.368(9) .
C274 H274 0.9500 .
C275 C276 1.402(9) .
C275 H275 0.9500 .
C276 H276 0.9500 .
C277 C278 1.388(9) .
C277 C282 1.390(7) .
C278 C279 1.390(8) .
C278 H278 0.9500 .
C279 C280 1.385(8) .
C279 H279 0.9500 .
C280 C281 1.365(8) .
C280 H280 0.9500 .
C281 C282 1.389(7) .
C281 H281 0.9500 .
C282 C283 1.502(9) .
C283 C288 1.399(8) .
C283 C284 1.406(8) .
C284 C285 1.397(9) .
C284 H284 0.9500 .
C285 C286 1.348(8) .
C285 H285 0.9500 .
C286 C287 1.391(8) .
C286 H286 0.9500 .
C287 C288 1.403(9) .
C287 H287 0.9500 .
C288 H288 0.9500 .
C289 C294 1.387(8) .
C289 C290 1.400(9) .
C290 C291 1.390(8) .
C290 H290 0.9500 .
C291 C292 1.379(9) .
C291 H291 0.9500 .
C292 C293 1.369(9) .
C292 H292 0.9500 .
C293 C294 1.405(8) .
C293 H293 0.9500 .
C294 C295 1.496(10) .
C295 C296 1.388(9) .
C295 C300 1.391(8) .
C296 C297 1.414(10) .
C296 H296 0.9500 .
C297 C298 1.367(10) .
C297 H297 0.9500 .
C298 C299 1.378(9) .
C298 H298 0.9500 .
C299 C300 1.410(10) .
C299 H299 0.9500 .
C300 H300 0.9500 .
O45 C301 1.347(8) .
O45 H45' 0.8400 .
C301 C302 1.362(10) .
C301 C306 1.438(9) .
C302 C303 1.402(10) .
C302 H302 0.9500 .
C303 C304 1.403(10) .
C303 H303 0.9500 .
C304 C305 1.372(10) .
C304 H304 0.9500 .
C305 C306 1.391(9) .
C305 H305 0.9500 .
C306 C307 1.461(9) .
C307 C312 1.396(9) .
C307 C308 1.396(8) .
C308 C309 1.360(10) .
C308 H308 0.9500 .
C309 C310 1.374(10) .
C309 H309 0.9500 .
C310 C311 1.389(9) .
C310 H310 0.9500 .
C311 C312 1.379(10) .
C311 H311 0.9500 .
C312 H312 0.9500 .
Zn21 O46 1.898(4) .
Zn21 O47 1.941(3) 2_655
Zn21 O48 1.954(3) .
Zn21 O49 1.961(3) .
Zn22 O47 1.877(4) .
Zn22 O51 1.963(3) .
Zn22 O52 1.963(3) .
Zn22 O50 2.117(3) 2_655
Zn23 O48 1.871(4) .
Zn23 O51 1.970(3) .
Zn23 O53 1.979(3) 2_655
Zn23 O50 2.110(3) .
Zn24 O49 1.875(4) .
Zn24 O53 1.957(3) .
Zn24 O52 1.967(3) .
Zn24 O50 2.126(3) .
O46 C313 1.355(5) .
O47 Zn21 1.941(3) 2_655
O47 H47' 0.840(2) .
O48 H48' 0.840(2) .
O49 H49' 0.840(2) .
O50 O50 1.514(6) 2_655
O50 Zn22 2.117(3) 2_655
O51 C331 1.386(5) .
O52 C343 1.382(5) .
O53 C355 1.386(6) .
O53 Zn23 1.979(3) 2_655
C313 C314 1.3900 .
C313 C318 1.3900 .
C314 C315 1.3900 .
C314 H314 0.9500 .
C315 C316 1.3900 .
C315 H315 0.9500 .
C316 C317 1.3900 .
C316 H316 0.9500 .
C317 C318 1.3900 .
C317 H317 0.9500 .
C318 C325 1.245(9) .
C318 C319 1.710(8) .
C319 C320 1.3900 .
C319 C324 1.3900 .
C320 C321 1.3900 .
C320 H320 0.9500 .
C321 C322 1.3900 .
C321 H321 0.9500 .
C322 C323 1.3900 .
C322 H322 0.9500 .
C323 C324 1.3900 .
C323 H323 0.9500 .
C324 H324 0.9500 .
C14A Cl28 1.729(14) .
C14A Cl27 1.747(15) .
C14A H14A 0.9900 .
C14A H14B 0.9900 .
O54 C367 1.372(11) .
O54 H54' 0.8400 .
C367 C368 1.3900 .
C367 C372 1.3900 .
C368 C369 1.3900 .
C368 H368 0.9500 .
C369 C370 1.3900 .
C369 H369 0.9500 .
C370 C371 1.3900 .
C370 H370 0.9500 .
C371 C372 1.3900 .
C371 H371 0.9500 .
C372 C373 1.517(8) .
C373 C374 1.3900 .
C373 C378 1.3900 .
C374 C375 1.3900 .
C374 H374 0.9500 .
C375 C376 1.3900 .
C375 H375 0.9500 .
C376 C377 1.3900 .
C376 H376 0.9500 .
C377 C378 1.3900 .
C377 H377 0.9500 .
C378 H378 0.9500 .
C325 C326 1.3900 .
C325 C330 1.3900 .
C326 C327 1.3900 .
C326 H326 0.9500 .
C327 C328 1.3900 .
C327 H327 0.9500 .
C328 C329 1.3900 .
C328 H328 0.9500 .
C329 C330 1.3900 .
C329 H329 0.9500 .
C330 H330 0.9500 .
O55 C379 1.363(15) .
O55 H55' 0.8400 .
C379 C380 1.3900 .
C379 C384 1.3900 .
C380 C381 1.3900 .
C380 H380 0.9500 .
C381 C382 1.3900 .
C381 H381 0.9500 .
C382 C383 1.3900 .
C382 H382 0.9500 .
C383 C384 1.3900 .
C383 H383 0.9500 .
C384 C385 1.532(12) .
C385 C386 1.3900 .
C385 C390 1.3900 .
C386 C387 1.3900 .
C386 H386 0.9500 .
C387 C388 1.3900 .
C387 H387 0.9500 .
C388 C389 1.3900 .
C388 H388 0.9500 .
C389 C390 1.3900 .
C389 H389 0.9500 .
C390 H390 0.9500 .
C331 C336 1.399(7) .
C331 C332 1.402(7) .
C332 C333 1.403(7) .
C332 H332 0.9500 .
C333 C334 1.357(7) .
C333 H333 0.9500 .
C334 C335 1.393(7) .
C334 H334 0.9500 .
C335 C336 1.397(6) .
C335 H335 0.9500 .
C336 C337 1.505(7) .
C337 C338 1.371(7) .
C337 C342 1.407(7) .
C338 C339 1.411(8) .
C338 H338 0.9500 .
C339 C340 1.360(8) .
C339 H339 0.9500 .
C340 C341 1.374(8) .
C340 H340 0.9500 .
C341 C342 1.402(7) .
C341 H341 0.9500 .
C342 H342 0.9500 .
C343 C344 1.384(7) .
C343 C348 1.406(7) .
C344 C345 1.390(7) .
C344 H344 0.9500 .
C345 C346 1.385(7) .
C345 H345 0.9500 .
C346 C347 1.370(7) .
C346 H346 0.9500 .
C347 C348 1.382(7) .
C347 H347 0.9500 .
C348 C349 1.506(8) .
C349 C350 1.380(7) .
C349 C354 1.397(7) .
C350 C351 1.420(9) .
C350 H350 0.9500 .
C351 C352 1.343(9) .
C351 H351 0.9500 .
C352 C353 1.384(8) .
C352 H352 0.9500 .
C353 C354 1.383(8) .
C353 H353 0.9500 .
C354 H354 0.9500 .
C355 C356 1.393(7) .
C355 C360 1.409(7) .
C356 C357 1.389(7) .
C356 H356 0.9500 .
C357 C358 1.386(7) .
C357 H357 0.9500 .
C358 C359 1.371(7) .
C358 H358 0.9500 .
C359 C360 1.394(7) .
C359 H359 0.9500 .
C360 C361 1.505(8) .
C361 C362 1.379(8) .
C361 C366 1.388(7) .
C362 C363 1.395(9) .
C362 H362 0.9500 .
C363 C364 1.362(8) .
C363 H363 0.9500 .
C364 C365 1.361(8) .
C364 H364 0.9500 .
C365 C366 1.405(8) .
C365 H365 0.9500 .
C366 H366 0.9500 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O17 H17' O1 0.84 1.76 2.600(5) 174.6 .
O18 H18' O16 0.84 1.79 2.625(5) 173.5 .
O32 H32' O36 0.840(2) 2.45(3) 3.219(5) 153(5) .
O35 H35' O19 0.84 1.79 2.608(5) 163.8 .
O36 H36' O34 0.84 1.89 2.731(5) 178.5 .
O45 H45' O37 0.84 1.80 2.637(6) 175.4 .
O49 H49' O55 0.840(2) 2.67(5) 3.206(12) 123(5) .
O54 H54' O46 0.84 1.77 2.599(10) 167.2 .
O55 H55' O46 0.84 1.92 2.723(11) 159.0 .
C14 H14 O2 0.95 2.49 3.354(6) 150.6 .
C26 H26 O15 0.95 2.52 3.390(6) 152.6 .
C38 H38 O3 0.95 2.59 3.443(6) 148.9 .
C50 H50 O13 0.95 2.49 3.352(6) 151.4 .
C62 H62 O4 0.95 2.58 3.437(6) 150.9 .
C74 H74 O14 0.95 2.56 3.412(6) 149.6 .
C98 H98 O1 0.95 2.51 3.191(5) 128.7 .
C126 H126 O18 0.95 2.52 2.880(7) 102.4 .
C140 H140 O20 0.95 2.53 3.399(6) 151.8 .
C152 H152 O33 0.95 2.60 3.453(6) 150.2 .
C164 H164 O21 0.95 2.49 3.360(6) 152.7 .
C176 H176 O31 0.95 2.50 3.364(6) 151.6 .
C188 H188 O22 0.95 2.53 3.395(6) 151.5 .
C234 H234 O35 0.95 2.42 2.854(7) 107.3 .
C236 H236 O34 0.95 2.57 3.284(7) 131.8 .
C246 H246 O36 0.95 2.58 2.958(7) 104.0 .
C266 H266 O39 0.95 2.51 3.381(7) 153.1 .
C278 H278 O38 0.95 2.53 3.400(7) 152.6 .
C290 H290 O40 0.95 2.50 3.379(7) 153.5 .
C312 H312 O45 0.95 2.54 2.899(9) 102.6 .
C332 H332 O48 0.95 2.50 3.362(6) 151.5 .
C344 H344 O47 0.95 2.50 3.368(6) 152.3 .
C356 H356 O49 0.95 2.51 3.373(7) 151.5 .
C366 H366 O53 0.95 2.59 2.953(7) 103.0 .
C378 H378 O54 0.95 2.46 2.904(12) 108.7 .
C1A H1B Cl28 0.99 2.76 3.522(8) 134.1 1_556
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
O4 Zn4 Zn5 O13 -155.5(2) . .
O12 Zn4 Zn5 O13 1.98(15) . .
O11 Zn4 Zn5 O13 120.0(2) . .
O5 Zn4 Zn5 O13 -103.12(15) . .
O4 Zn4 Zn5 O10 -0.83(19) . .
O12 Zn4 Zn5 O10 156.67(13) . .
O11 Zn4 Zn5 O10 -85.36(18) . .
O5 Zn4 Zn5 O10 51.57(13) . .
O4 Zn4 Zn5 O11 84.5(2) . .
O12 Zn4 Zn5 O11 -117.97(18) . .
O5 Zn4 Zn5 O11 136.93(18) . .
O4 Zn4 Zn5 O6 -84.00(19) . .
O12 Zn4 Zn5 O6 73.50(13) . .
O11 Zn4 Zn5 O6 -168.53(17) . .
O5 Zn4 Zn5 O6 -31.60(13) . .
O3 Zn3 Zn7 O15 -156.38(19) . .
O10 Zn3 Zn7 O15 -0.32(14) . .
O9 Zn3 Zn7 O15 120.19(19) . .
O5 Zn3 Zn7 O15 -102.71(14) . .
O3 Zn3 Zn7 O9 83.4(2) . .
O10 Zn3 Zn7 O9 -120.50(18) . .
O5 Zn3 Zn7 O9 137.10(18) . .
O3 Zn3 Zn7 O8 -0.29(18) . .
O10 Zn3 Zn7 O8 155.78(12) . .
O9 Zn3 Zn7 O8 -83.72(18) . .
O5 Zn3 Zn7 O8 53.38(13) . .
O3 Zn3 Zn7 O6 -83.72(18) . .
O10 Zn3 Zn7 O6 72.34(13) . .
O9 Zn3 Zn7 O6 -167.15(18) . .
O5 Zn3 Zn7 O6 -30.06(12) . .
O4 Zn1 O1 C1 7.4(4) . .
O2 Zn1 O1 C1 128.6(4) . .
O3 Zn1 O1 C1 -110.0(4) . .
O7 Zn2 O2 Zn1 80.7(2) . .
O8 Zn2 O2 Zn1 -116.4(2) . .
O5 Zn2 O2 Zn1 -12.15(19) . .
O1 Zn1 O2 Zn2 -171.75(16) . .
O4 Zn1 O2 Zn2 -47.7(2) . .
O3 Zn1 O2 Zn2 65.0(2) . .
O10 Zn3 O3 Zn1 -110.2(2) . .
O9 Zn3 O3 Zn1 78.4(2) . .
O5 Zn3 O3 Zn1 -12.2(2) . .
Zn7 Zn3 O3 Zn1 32.8(3) . .
O1 Zn1 O3 Zn3 -178.03(19) . .
O4 Zn1 O3 Zn3 62.8(2) . .
O2 Zn1 O3 Zn3 -47.8(2) . .
O12 Zn4 O4 Zn1 -118.3(2) . .
O11 Zn4 O4 Zn1 76.2(2) . .
O5 Zn4 O4 Zn1 -15.6(2) . .
Zn5 Zn4 O4 Zn1 28.7(3) . .
O1 Zn1 O4 Zn4 -159.7(2) . .
O2 Zn1 O4 Zn4 69.9(2) . .
O3 Zn1 O4 Zn4 -41.2(2) . .
O4 Zn4 O5 O6 -169.87(19) . .
O12 Zn4 O5 O6 -32.53(19) . .
O11 Zn4 O5 O6 64.92(19) . .
Zn5 Zn4 O5 O6 40.47(14) . .
O4 Zn4 O5 Zn2 -61.78(17) . .
O12 Zn4 O5 Zn2 75.57(16) . .
O11 Zn4 O5 Zn2 173.01(16) . .
Zn5 Zn4 O5 Zn2 148.56(17) . .
O4 Zn4 O5 Zn3 79.60(17) . .
O12 Zn4 O5 Zn3 -143.05(16) . .
O11 Zn4 O5 Zn3 -45.60(16) . .
Zn5 Zn4 O5 Zn3 -70.05(12) . .
O2 Zn2 O5 O6 -174.63(19) . .
O7 Zn2 O5 O6 62.73(19) . .
O8 Zn2 O5 O6 -34.42(19) . .
O2 Zn2 O5 Zn4 77.64(17) . .
O7 Zn2 O5 Zn4 -45.01(16) . .
O8 Zn2 O5 Zn4 -142.15(15) . .
O2 Zn2 O5 Zn3 -64.50(17) . .
O7 Zn2 O5 Zn3 172.86(16) . .
O8 Zn2 O5 Zn3 75.71(16) . .
O3 Zn3 O5 O6 -173.43(19) . .
O10 Zn3 O5 O6 -34.45(19) . .
O9 Zn3 O5 O6 63.38(19) . .
Zn7 Zn3 O5 O6 39.20(15) . .
O3 Zn3 O5 Zn4 -64.08(17) . .
O10 Zn3 O5 Zn4 74.90(16) . .
O9 Zn3 O5 Zn4 172.73(16) . .
Zn7 Zn3 O5 Zn4 148.56(17) . .
O3 Zn3 O5 Zn2 77.32(17) . .
O10 Zn3 O5 Zn2 -143.71(15) . .
O9 Zn3 O5 Zn2 -45.87(16) . .
Zn7 Zn3 O5 Zn2 -70.05(12) . .
Zn4 O5 O6 Zn7 -179.25(11) . .
Zn2 O5 O6 Zn7 61.83(16) . .
Zn3 O5 O6 Zn7 -57.77(16) . .
Zn4 O5 O6 Zn5 -60.39(16) . .
Zn2 O5 O6 Zn5 -179.31(11) . .
Zn3 O5 O6 Zn5 61.09(16) . .
Zn4 O5 O6 Zn6 59.80(16) . .
Zn2 O5 O6 Zn6 -59.13(16) . .
Zn3 O5 O6 Zn6 -178.72(11) . .
O15 Zn7 O6 O5 166.99(19) . .
O9 Zn7 O6 O5 31.2(2) . .
O8 Zn7 O6 O5 -65.11(19) . .
Zn3 Zn7 O6 O5 39.06(15) . .
O15 Zn7 O6 Zn5 58.34(16) . .
O9 Zn7 O6 Zn5 -77.44(16) . .
O8 Zn7 O6 Zn5 -173.75(16) . .
Zn3 Zn7 O6 Zn5 -69.58(12) . .
O15 Zn7 O6 Zn6 -81.86(16) . .
O9 Zn7 O6 Zn6 142.36(15) . .
O8 Zn7 O6 Zn6 46.05(16) . .
Zn3 Zn7 O6 Zn6 150.22(16) . .
O13 Zn5 O6 O5 172.69(19) . .
O10 Zn5 O6 O5 -62.93(19) . .
O11 Zn5 O6 O5 34.0(2) . .
Zn4 Zn5 O6 O5 40.99(15) . .
O13 Zn5 O6 Zn7 -78.79(17) . .
O10 Zn5 O6 Zn7 45.60(16) . .
O11 Zn5 O6 Zn7 142.52(15) . .
Zn4 Zn5 O6 Zn7 149.52(16) . .
O13 Zn5 O6 Zn6 61.73(16) . .
O10 Zn5 O6 Zn6 -173.89(15) . .
O11 Zn5 O6 Zn6 -76.96(16) . .
Zn4 Zn5 O6 Zn6 -69.97(12) . .
O14 Zn6 O6 O5 171.93(19) . .
O12 Zn6 O6 O5 -63.91(19) . .
O7 Zn6 O6 O5 32.90(19) . .
O14 Zn6 O6 Zn7 61.86(17) . .
O12 Zn6 O6 Zn7 -173.98(16) . .
O7 Zn6 O6 Zn7 -77.17(16) . .
O14 Zn6 O6 Zn5 -78.10(16) . .
O12 Zn6 O6 Zn5 46.06(16) . .
O7 Zn6 O6 Zn5 142.87(15) . .
O2 Zn2 O7 C13 15.2(4) . .
O8 Zn2 O7 C13 -153.6(3) . .
O5 Zn2 O7 C13 109.6(3) . .
O2 Zn2 O7 Zn6 -131.14(15) . .
O8 Zn2 O7 Zn6 60.07(16) . .
O5 Zn2 O7 Zn6 -36.77(15) . .
O14 Zn6 O7 C13 122.5(3) . .
O12 Zn6 O7 C13 -49.8(3) . .
O6 Zn6 O7 C13 -139.2(3) . .
O14 Zn6 O7 Zn2 -87.8(2) . .
O12 Zn6 O7 Zn2 99.97(15) . .
O6 Zn6 O7 Zn2 10.62(15) . .
O2 Zn2 O8 C25 -122.3(3) . .
O7 Zn2 O8 C25 43.2(3) . .
O5 Zn2 O8 C25 134.7(3) . .
O2 Zn2 O8 Zn7 93.4(2) . .
O7 Zn2 O8 Zn7 -101.04(15) . .
O5 Zn2 O8 Zn7 -9.55(15) . .
O15 Zn7 O8 C25 -13.2(4) . .
O9 Zn7 O8 C25 154.7(3) . .
O6 Zn7 O8 C25 -105.3(3) . .
Zn3 Zn7 O8 C25 -168.1(3) . .
O15 Zn7 O8 Zn2 128.96(16) . .
O9 Zn7 O8 Zn2 -63.22(15) . .
O6 Zn7 O8 Zn2 36.82(15) . .
Zn3 Zn7 O8 Zn2 -25.95(14) . .
O15 Zn7 O9 C37 122.8(3) . .
O8 Zn7 O9 C37 -43.7(3) . .
O6 Zn7 O9 C37 -134.7(3) . .
Zn3 Zn7 O9 C37 -146.3(4) . .
O15 Zn7 O9 Zn3 -90.9(2) . .
O8 Zn7 O9 Zn3 102.61(15) . .
O6 Zn7 O9 Zn3 11.66(16) . .
O3 Zn3 O9 C37 13.6(4) . .
O10 Zn3 O9 C37 -160.7(3) . .
O5 Zn3 O9 C37 104.3(3) . .
Zn7 Zn3 O9 C37 141.0(4) . .
O3 Zn3 O9 Zn7 -127.39(16) . .
O10 Zn3 O9 Zn7 58.34(16) . .
O5 Zn3 O9 Zn7 -36.70(15) . .
O13 Zn5 O10 C49 -18.4(4) . .
O11 Zn5 O10 C49 148.1(3) . .
O6 Zn5 O10 C49 -113.4(3) . .
Zn4 Zn5 O10 C49 -174.4(3) . .
O13 Zn5 O10 Zn3 130.83(15) . .
O11 Zn5 O10 Zn3 -62.63(16) . .
O6 Zn5 O10 Zn3 35.88(15) . .
Zn4 Zn5 O10 Zn3 -25.20(14) . .
O3 Zn3 O10 C49 -121.7(3) . .
O9 Zn3 O10 C49 51.1(3) . .
O5 Zn3 O10 C49 142.0(3) . .
Zn7 Zn3 O10 C49 82.6(3) . .
O3 Zn3 O10 Zn5 87.3(2) . .
O9 Zn3 O10 Zn5 -99.93(15) . .
O5 Zn3 O10 Zn5 -9.00(15) . .
Zn7 Zn3 O10 Zn5 -68.39(12) . .
O4 Zn4 O11 C61 11.2(4) . .
O12 Zn4 O11 C61 -158.8(3) . .
O5 Zn4 O11 C61 103.3(3) . .
Zn5 Zn4 O11 C61 140.3(4) . .
O4 Zn4 O11 Zn5 -129.08(16) . .
O12 Zn4 O11 Zn5 60.91(15) . .
O5 Zn4 O11 Zn5 -37.01(15) . .
O13 Zn5 O11 C61 119.6(3) . .
O10 Zn5 O11 C61 -44.0(3) . .
O6 Zn5 O11 C61 -134.9(3) . .
Zn4 Zn5 O11 C61 -145.1(4) . .
O13 Zn5 O11 Zn4 -95.3(2) . .
O10 Zn5 O11 Zn4 101.06(15) . .
O6 Zn5 O11 Zn4 10.21(15) . .
O4 Zn4 O12 C73 -120.4(3) . .
O11 Zn4 O12 C73 47.7(3) . .
O5 Zn4 O12 C73 139.6(3) . .
Zn5 Zn4 O12 C73 80.4(3) . .
O4 Zn4 O12 Zn6 89.3(2) . .
O11 Zn4 O12 Zn6 -102.57(15) . .
O5 Zn4 O12 Zn6 -10.74(16) . .
Zn5 Zn4 O12 Zn6 -69.91(13) . .
O14 Zn6 O12 C73 -21.1(4) . .
O7 Zn6 O12 C73 152.8(3) . .
O6 Zn6 O12 C73 -111.1(3) . .
O14 Zn6 O12 Zn4 126.47(16) . .
O7 Zn6 O12 Zn4 -59.71(16) . .
O6 Zn6 O12 Zn4 36.38(15) . .
O10 Zn5 O13 Zn8 -77.5(2) . .
O11 Zn5 O13 Zn8 122.24(19) . .
O6 Zn5 O13 Zn8 15.1(2) . .
Zn4 Zn5 O13 Zn8 72.1(2) . .
O16 Zn8 O13 Zn5 169.38(16) . .
O15 Zn8 O13 Zn5 45.4(2) . .
O14 Zn8 O13 Zn5 -65.8(2) . .
O12 Zn6 O14 Zn8 -72.9(2) . .
O7 Zn6 O14 Zn8 116.4(2) . .
O6 Zn6 O14 Zn8 16.0(2) . .
O16 Zn8 O14 Zn6 174.02(19) . .
O13 Zn8 O14 Zn6 43.7(2) . .
O15 Zn8 O14 Zn6 -64.8(2) . .
O9 Zn7 O15 Zn8 126.10(18) . .
O8 Zn7 O15 Zn8 -71.0(2) . .
O6 Zn7 O15 Zn8 20.22(19) . .
Zn3 Zn7 O15 Zn8 79.0(2) . .
O16 Zn8 O15 Zn7 157.76(18) . .
O13 Zn8 O15 Zn7 -73.1(2) . .
O14 Zn8 O15 Zn7 37.4(2) . .
O13 Zn8 O16 C85 -133.1(3) . .
O15 Zn8 O16 C85 -13.5(4) . .
O14 Zn8 O16 C85 104.5(4) . .
Zn1 O1 C1 C2 65.7(6) . .
Zn1 O1 C1 C6 -116.3(4) . .
O1 C1 C2 C3 174.9(5) . .
C6 C1 C2 C3 -3.2(8) . .
C1 C2 C3 C4 -0.2(9) . .
C2 C3 C4 C5 1.4(9) . .
C3 C4 C5 C6 0.7(9) . .
O1 C1 C6 C5 -172.9(5) . .
C2 C1 C6 C5 5.2(7) . .
O1 C1 C6 C7 6.3(7) . .
C2 C1 C6 C7 -175.6(5) . .
C4 C5 C6 C1 -4.1(8) . .
C4 C5 C6 C7 176.7(5) . .
C1 C6 C7 C8 -120.5(5) . .
C5 C6 C7 C8 58.7(7) . .
C1 C6 C7 C12 59.0(7) . .
C5 C6 C7 C12 -121.8(6) . .
C12 C7 C8 C9 -1.1(8) . .
C6 C7 C8 C9 178.4(5) . .
C7 C8 C9 C10 -0.2(9) . .
C8 C9 C10 C11 1.1(10) . .
C9 C10 C11 C12 -0.6(10) . .
C10 C11 C12 C7 -0.7(9) . .
C8 C7 C12 C11 1.6(8) . .
C6 C7 C12 C11 -178.0(5) . .
Zn2 O7 C13 C14 -5.8(6) . .
Zn6 O7 C13 C14 137.9(4) . .
Zn2 O7 C13 C18 176.2(3) . .
Zn6 O7 C13 C18 -40.1(5) . .
O7 C13 C14 C15 -176.8(4) . .
C18 C13 C14 C15 1.1(7) . .
C13 C14 C15 C16 -0.8(7) . .
C14 C15 C16 C17 0.9(7) . .
C15 C16 C17 C18 -1.1(7) . .
C16 C17 C18 C13 1.4(7) . .
C16 C17 C18 C19 -178.1(4) . .
O7 C13 C18 C17 176.6(4) . .
C14 C13 C18 C17 -1.4(7) . .
O7 C13 C18 C19 -3.9(6) . .
C14 C13 C18 C19 178.1(4) . .
C17 C18 C19 C20 -54.9(6) . .
C13 C18 C19 C20 125.6(5) . .
C17 C18 C19 C24 122.1(5) . .
C13 C18 C19 C24 -57.4(6) . .
C24 C19 C20 C21 -0.8(7) . .
C18 C19 C20 C21 176.4(4) . .
C19 C20 C21 C22 -1.8(8) . .
C20 C21 C22 C23 2.8(8) . .
C21 C22 C23 C24 -1.1(8) . .
C20 C19 C24 C23 2.5(7) . .
C18 C19 C24 C23 -174.6(4) . .
C22 C23 C24 C19 -1.6(7) . .
Zn2 O8 C25 C26 -135.8(4) . .
Zn7 O8 C25 C26 2.4(5) . .
Zn2 O8 C25 C30 41.4(5) . .
Zn7 O8 C25 C30 179.6(3) . .
O8 C25 C26 C27 176.4(4) . .
C30 C25 C26 C27 -0.8(7) . .
C25 C26 C27 C28 -0.1(7) . .
C26 C27 C28 C29 0.5(7) . .
C27 C28 C29 C30 0.0(7) . .
O8 C25 C30 C29 -175.9(4) . .
C26 C25 C30 C29 1.3(6) . .
O8 C25 C30 C31 4.9(6) . .
C26 C25 C30 C31 -177.9(4) . .
C28 C29 C30 C25 -0.9(7) . .
C28 C29 C30 C31 178.3(4) . .
C25 C30 C31 C36 47.3(7) . .
C29 C30 C31 C36 -131.8(5) . .
C25 C30 C31 C32 -134.6(5) . .
C29 C30 C31 C32 46.2(6) . .
C36 C31 C32 C33 1.7(7) . .
C30 C31 C32 C33 -176.4(5) . .
C31 C32 C33 C34 -0.2(8) . .
C32 C33 C34 C35 -0.9(8) . .
C33 C34 C35 C36 0.5(8) . .
C32 C31 C36 C35 -2.1(7) . .
C30 C31 C36 C35 175.9(4) . .
C34 C35 C36 C31 1.1(7) . .
Zn7 O9 C37 C38 130.9(4) . .
Zn3 O9 C37 C38 -7.0(6) . .
Zn7 O9 C37 C42 -46.2(5) . .
Zn3 O9 C37 C42 175.9(3) . .
O9 C37 C38 C39 -174.9(4) . .
C42 C37 C38 C39 2.1(7) . .
C37 C38 C39 C40 0.2(7) . .
C38 C39 C40 C41 -1.6(7) . .
C39 C40 C41 C42 0.7(7) . .
O9 C37 C42 C41 174.1(4) . .
C38 C37 C42 C41 -3.0(7) . .
O9 C37 C42 C43 -6.4(6) . .
C38 C37 C42 C43 176.5(4) . .
C40 C41 C42 C37 1.6(7) . .
C40 C41 C42 C43 -177.8(4) . .
C37 C42 C43 C44 127.8(5) . .
C41 C42 C43 C44 -52.7(6) . .
C37 C42 C43 C48 -52.9(6) . .
C41 C42 C43 C48 126.6(5) . .
C48 C43 C44 C45 0.1(7) . .
C42 C43 C44 C45 179.5(4) . .
C43 C44 C45 C46 -0.9(8) . .
C44 C45 C46 C47 0.5(8) . .
C45 C46 C47 C48 0.6(8) . .
C46 C47 C48 C43 -1.3(7) . .
C44 C43 C48 C47 1.0(7) . .
C42 C43 C48 C47 -178.4(4) . .
Zn5 O10 C49 C50 2.9(6) . .
Zn3 O10 C49 C50 -143.6(4) . .
Zn5 O10 C49 C54 -179.6(3) . .
Zn3 O10 C49 C54 34.0(5) . .
O10 C49 C50 C51 177.9(4) . .
C54 C49 C50 C51 0.4(7) . .
C49 C50 C51 C52 -1.3(7) . .
C50 C51 C52 C53 1.4(7) . .
C51 C52 C53 C54 -0.6(7) . .
C52 C53 C54 C49 -0.4(7) . .
C52 C53 C54 C55 176.8(4) . .
O10 C49 C54 C53 -177.0(4) . .
C50 C49 C54 C53 0.5(6) . .
O10 C49 C54 C55 5.8(6) . .
C50 C49 C54 C55 -176.6(4) . .
C53 C54 C55 C60 55.9(6) . .
C49 C54 C55 C60 -127.0(5) . .
C53 C54 C55 C56 -121.7(5) . .
C49 C54 C55 C56 55.4(6) . .
C60 C55 C56 C57 -2.1(7) . .
C54 C55 C56 C57 175.5(4) . .
C55 C56 C57 C58 1.9(7) . .
C56 C57 C58 C59 -0.5(8) . .
C57 C58 C59 C60 -0.6(8) . .
C58 C59 C60 C55 0.2(8) . .
C56 C55 C60 C59 1.1(7) . .
C54 C55 C60 C59 -176.6(4) . .
Zn4 O11 C61 C62 -5.9(6) . .
Zn5 O11 C61 C62 130.8(4) . .
Zn4 O11 C61 C66 176.0(3) . .
Zn5 O11 C61 C66 -47.3(5) . .
O11 C61 C62 C63 -175.2(4) . .
C66 C61 C62 C63 2.9(7) . .
C61 C62 C63 C64 -1.9(7) . .
C62 C63 C64 C65 -0.1(7) . .
C63 C64 C65 C66 1.1(7) . .
O11 C61 C66 C65 176.2(4) . .
C62 C61 C66 C65 -1.9(7) . .
O11 C61 C66 C67 -3.6(7) . .
C62 C61 C66 C67 178.3(4) . .
C64 C65 C66 C61 -0.1(7) . .
C64 C65 C66 C67 179.8(4) . .
C61 C66 C67 C68 134.1(5) . .
C65 C66 C67 C68 -45.8(6) . .
C61 C66 C67 C72 -49.0(7) . .
C65 C66 C67 C72 131.1(5) . .
C72 C67 C68 C69 1.3(7) . .
C66 C67 C68 C69 178.4(5) . .
C67 C68 C69 C70 -2.8(9) . .
C68 C69 C70 C71 3.1(9) . .
C69 C70 C71 C72 -1.9(8) . .
C70 C71 C72 C67 0.4(7) . .
C68 C67 C72 C71 -0.1(7) . .
C66 C67 C72 C71 -177.2(4) . .
Zn4 O12 C73 C74 -135.8(4) . .
Zn6 O12 C73 C74 9.0(6) . .
Zn4 O12 C73 C78 42.4(5) . .
Zn6 O12 C73 C78 -172.9(3) . .
O12 C73 C74 C75 177.5(4) . .
C78 C73 C74 C75 -0.7(7) . .
C73 C74 C75 C76 0.9(7) . .
C74 C75 C76 C77 -1.5(8) . .
C75 C76 C77 C78 1.7(7) . .
C76 C77 C78 C73 -1.5(7) . .
C76 C77 C78 C79 177.9(4) . .
O12 C73 C78 C77 -177.3(4) . .
C74 C73 C78 C77 0.9(6) . .
O12 C73 C78 C79 3.4(6) . .
C74 C73 C78 C79 -178.4(4) . .
C77 C78 C79 C84 -122.0(5) . .
C73 C78 C79 C84 57.3(6) . .
C77 C78 C79 C80 55.8(6) . .
C73 C78 C79 C80 -124.9(5) . .
C84 C79 C80 C81 0.8(7) . .
C78 C79 C80 C81 -177.0(4) . .
C79 C80 C81 C82 1.1(8) . .
C80 C81 C82 C83 -1.7(8) . .
C81 C82 C83 C84 0.3(8) . .
C80 C79 C84 C83 -2.1(7) . .
C78 C79 C84 C83 175.7(4) . .
C82 C83 C84 C79 1.6(7) . .
Zn8 O16 C85 C86 -64.1(6) . .
Zn8 O16 C85 C90 117.2(4) . .
O16 C85 C86 C87 -175.6(5) . .
C90 C85 C86 C87 3.0(8) . .
C85 C86 C87 C88 0.2(9) . .
C86 C87 C88 C89 -1.9(9) . .
C87 C88 C89 C90 0.3(9) . .
C88 C89 C90 C85 2.9(8) . .
C88 C89 C90 C91 -178.8(5) . .
O16 C85 C90 C89 174.2(5) . .
C86 C85 C90 C89 -4.4(7) . .
O16 C85 C90 C91 -4.1(7) . .
C86 C85 C90 C91 177.2(5) . .
C89 C90 C91 C92 -56.8(7) . .
C85 C90 C91 C92 121.4(6) . .
C89 C90 C91 C96 124.4(6) . .
C85 C90 C91 C96 -57.3(7) . .
C96 C91 C92 C93 -0.7(8) . .
C90 C91 C92 C93 -179.5(5) . .
C91 C92 C93 C94 -1.2(10) . .
C92 C93 C94 C95 2.3(10) . .
C93 C94 C95 C96 -1.4(11) . .
C94 C95 C96 C91 -0.6(10) . .
C92 C91 C96 C95 1.6(9) . .
C90 C91 C96 C95 -179.6(5) . .
O17 C97 C98 C99 -177.9(4) . .
C102 C97 C98 C99 0.0 . .
C97 C98 C99 C100 0.0 . .
C98 C99 C100 C101 0.0 . .
C99 C100 C101 C102 0.0 . .
C100 C101 C102 C97 0.0 . .
C100 C101 C102 C109 -174.3(8) . .
C100 C101 C102 C103 -179.8(10) . .
O17 C97 C102 C101 177.9(4) . .
C98 C97 C102 C101 0.0 . .
O17 C97 C102 C109 -8.0(9) . .
C98 C97 C102 C109 174.1(9) . .
O17 C97 C102 C103 -2.3(11) . .
C98 C97 C102 C103 179.8(10) . .
C101 C102 C103 C104 -37.9(11) . .
C97 C102 C103 C104 142.3(7) . .
C109 C102 C103 C104 -134(14) . .
C101 C102 C103 C108 141.8(10) . .
C97 C102 C103 C108 -38.0(17) . .
C109 C102 C103 C108 46(13) . .
C108 C103 C104 C105 0.0 . .
C102 C103 C104 C105 179.7(15) . .
C103 C104 C105 C106 0.0 . .
C104 C105 C106 C107 0.0 . .
C105 C106 C107 C108 0.0 . .
C106 C107 C108 C103 0.0 . .
C104 C103 C108 C107 0.0 . .
C102 C103 C108 C107 -179.7(16) . .
C101 C102 C109 C110 -51.7(14) . .
C97 C102 C109 C110 134.1(10) . .
C103 C102 C109 C110 35(13) . .
C101 C102 C109 C114 124.4(12) . .
C97 C102 C109 C114 -49.9(16) . .
C103 C102 C109 C114 -149(15) . .
C114 C109 C110 C111 -0.2(17) . .
C102 C109 C110 C111 176.0(13) . .
C109 C110 C111 C112 1.3(17) . .
C110 C111 C112 C113 -2.4(18) . .
C111 C112 C113 C114 2.3(17) . .
C112 C113 C114 C109 -1.1(17) . .
C110 C109 C114 C113 0.1(17) . .
C102 C109 C114 C113 -176.1(11) . .
O18 C115 C116 C117 179.5(5) . .
C120 C115 C116 C117 -1.0(8) . .
C115 C116 C117 C118 -0.2(9) . .
C116 C117 C118 C119 1.0(10) . .
C117 C118 C119 C120 -0.6(10) . .
C118 C119 C120 C115 -0.6(9) . .
C118 C119 C120 C121 177.5(6) . .
O18 C115 C120 C119 -179.1(5) . .
C116 C115 C120 C119 1.4(8) . .
O18 C115 C120 C121 2.8(8) . .
C116 C115 C120 C121 -176.7(5) . .
C119 C120 C121 C126 -132.6(7) . .
C115 C120 C121 C126 45.5(8) . .
C119 C120 C121 C122 45.2(8) . .
C115 C120 C121 C122 -136.8(6) . .
C126 C121 C122 C123 -1.3(9) . .
C120 C121 C122 C123 -179.1(6) . .
C121 C122 C123 C124 0.3(11) . .
C122 C123 C124 C125 0.2(13) . .
C123 C124 C125 C126 0.3(13) . .
C124 C125 C126 C121 -1.4(11) . .
C122 C121 C126 C125 1.9(10) . .
C120 C121 C126 C125 179.6(6) . .
O21 Zn11 Zn13 O31 159.0(2) . .
O28 Zn11 Zn13 O31 -81.1(2) . .
O27 Zn11 Zn13 O31 3.95(18) . .
O23 Zn11 Zn13 O31 87.78(18) . .
O21 Zn11 Zn13 O29 -2.39(15) . .
O28 Zn11 Zn13 O29 117.49(17) . .
O27 Zn11 Zn13 O29 -157.48(12) . .
O23 Zn11 Zn13 O29 -73.66(12) . .
O21 Zn11 Zn13 O28 -119.88(19) . .
O27 Zn11 Zn13 O28 85.02(17) . .
O23 Zn11 Zn13 O28 168.85(17) . .
O21 Zn11 Zn13 O24 102.14(15) . .
O28 Zn11 Zn13 O24 -137.98(17) . .
O27 Zn11 Zn13 O24 -52.96(13) . .
O23 Zn11 Zn13 O24 30.87(12) . .
O20 Zn10 Zn15 O33 157.7(2) . .
O26 Zn10 Zn15 O33 -83.7(2) . .
O25 Zn10 Zn15 O33 2.61(18) . .
O23 Zn10 Zn15 O33 86.07(19) . .
O20 Zn10 Zn15 O26 -118.60(19) . .
O25 Zn10 Zn15 O26 86.32(17) . .
O23 Zn10 Zn15 O26 169.78(17) . .
O20 Zn10 Zn15 O27 -1.35(15) . .
O26 Zn10 Zn15 O27 117.25(17) . .
O25 Zn10 Zn15 O27 -156.43(12) . .
O23 Zn10 Zn15 O27 -72.97(13) . .
O20 Zn10 Zn15 O24 102.41(15) . .
O26 Zn10 Zn15 O24 -138.99(17) . .
O25 Zn10 Zn15 O24 -52.67(12) . .
O23 Zn10 Zn15 O24 30.79(12) . .
O21 Zn9 O19 C127 135.7(4) . .
O20 Zn9 O19 C127 15.8(4) . .
O22 Zn9 O19 C127 -102.0(4) . .
O26 Zn10 O20 Zn9 -125.00(19) . .
O25 Zn10 O20 Zn9 70.4(2) . .
O23 Zn10 O20 Zn9 -20.8(2) . .
Zn15 Zn10 O20 Zn9 -77.9(2) . .
O19 Zn9 O20 Zn10 -160.86(19) . .
O21 Zn9 O20 Zn10 71.8(2) . .
O22 Zn9 O20 Zn10 -38.6(2) . .
O28 Zn11 O21 Zn9 -121.81(19) . .
O27 Zn11 O21 Zn9 75.8(2) . .
O23 Zn11 O21 Zn9 -16.8(2) . .
Zn13 Zn11 O21 Zn9 -73.4(2) . .
O19 Zn9 O21 Zn11 -168.70(17) . .
O20 Zn9 O21 Zn11 -43.1(2) . .
O22 Zn9 O21 Zn11 65.9(2) . .
O30 Zn12 O22 Zn9 -122.43(19) . .
O29 Zn12 O22 Zn9 70.9(2) . .
O23 Zn12 O22 Zn9 -19.11(19) . .
O19 Zn9 O22 Zn12 -167.88(18) . .
O21 Zn9 O22 Zn12 -39.7(2) . .
O20 Zn9 O22 Zn12 68.6(2) . .
O20 Zn10 O23 O24 -168.87(19) . .
O26 Zn10 O23 O24 -33.99(19) . .
O25 Zn10 O23 O24 62.88(19) . .
Zn15 Zn10 O23 O24 -40.20(15) . .
O20 Zn10 O23 Zn11 -58.15(16) . .
O26 Zn10 O23 Zn11 76.74(16) . .
O25 Zn10 O23 Zn11 173.60(15) . .
Zn15 Zn10 O23 Zn11 70.53(12) . .
O20 Zn10 O23 Zn12 81.63(16) . .
O26 Zn10 O23 Zn12 -143.49(15) . .
O25 Zn10 O23 Zn12 -46.62(15) . .
Zn15 Zn10 O23 Zn12 -149.70(16) . .
O21 Zn11 O23 O24 -170.64(19) . .
O28 Zn11 O23 O24 -33.66(19) . .
O27 Zn11 O23 O24 62.95(19) . .
Zn13 Zn11 O23 O24 -40.43(15) . .
O21 Zn11 O23 Zn10 78.83(17) . .
O28 Zn11 O23 Zn10 -144.19(15) . .
O27 Zn11 O23 Zn10 -47.59(16) . .
Zn13 Zn11 O23 Zn10 -150.96(16) . .
O21 Zn11 O23 Zn12 -60.36(17) . .
O28 Zn11 O23 Zn12 76.62(16) . .
O27 Zn11 O23 Zn12 173.22(16) . .
Zn13 Zn11 O23 Zn12 69.85(12) . .
O22 Zn12 O23 O24 -169.48(19) . .
O30 Zn12 O23 O24 -31.28(19) . .
O29 Zn12 O23 O24 65.01(19) . .
O22 Zn12 O23 Zn10 -59.75(16) . .
O30 Zn12 O23 Zn10 78.46(16) . .
O29 Zn12 O23 Zn10 174.75(15) . .
O22 Zn12 O23 Zn11 79.82(16) . .
O30 Zn12 O23 Zn11 -141.97(15) . .
O29 Zn12 O23 Zn11 -45.69(16) . .
Zn10 O23 O24 Zn15 59.25(16) . .
Zn11 O23 O24 Zn15 -61.05(16) . .
Zn12 O23 O24 Zn15 178.26(11) . .
Zn10 O23 O24 Zn13 179.90(11) . .
Zn11 O23 O24 Zn13 59.60(16) . .
Zn12 O23 O24 Zn13 -61.09(16) . .
Zn10 O23 O24 Zn14 -60.62(16) . .
Zn11 O23 O24 Zn14 179.08(11) . .
Zn12 O23 O24 Zn14 58.39(16) . .
O33 Zn15 O24 O23 172.14(19) . .
O26 Zn15 O24 O23 -62.84(19) . .
O27 Zn15 O24 O23 35.08(19) . .
Zn10 Zn15 O24 O23 -39.52(14) . .
O33 Zn15 O24 Zn13 63.42(17) . .
O26 Zn15 O24 Zn13 -171.57(15) . .
O27 Zn15 O24 Zn13 -73.65(16) . .
Zn10 Zn15 O24 Zn13 -148.25(16) . .
O33 Zn15 O24 Zn14 -77.43(16) . .
O26 Zn15 O24 Zn14 47.58(15) . .
O27 Zn15 O24 Zn14 145.50(15) . .
Zn10 Zn15 O24 Zn14 70.90(11) . .
O31 Zn13 O24 O23 173.50(19) . .
O29 Zn13 O24 O23 33.79(19) . .
O28 Zn13 O24 O23 -63.26(19) . .
Zn11 Zn13 O24 O23 -39.56(14) . .
O31 Zn13 O24 Zn15 -77.64(17) . .
O29 Zn13 O24 Zn15 142.66(15) . .
O28 Zn13 O24 Zn15 45.60(16) . .
Zn11 Zn13 O24 Zn15 69.30(12) . .
O31 Zn13 O24 Zn14 63.32(16) . .
O29 Zn13 O24 Zn14 -76.39(15) . .
O28 Zn13 O24 Zn14 -173.44(15) . .
Zn11 Zn13 O24 Zn14 -149.74(16) . .
O32 Zn14 O24 O23 173.15(19) . .
O25 Zn14 O24 O23 33.26(19) . .
O30 Zn14 O24 O23 -63.27(19) . .
O32 Zn14 O24 Zn15 63.69(16) . .
O25 Zn14 O24 Zn15 -76.19(15) . .
O30 Zn14 O24 Zn15 -172.72(15) . .
O32 Zn14 O24 Zn13 -77.79(16) . .
O25 Zn14 O24 Zn13 142.32(15) . .
O30 Zn14 O24 Zn13 45.79(15) . .
O32 Zn14 O25 C139 124.9(3) . .
O30 Zn14 O25 C139 -47.4(3) . .
O24 Zn14 O25 C139 -137.4(3) . .
O32 Zn14 O25 Zn10 -88.0(2) . .
O30 Zn14 O25 Zn10 99.76(15) . .
O24 Zn14 O25 Zn10 9.80(15) . .
O20 Zn10 O25 C139 17.2(4) . .
O26 Zn10 O25 C139 -151.7(3) . .
O23 Zn10 O25 C139 109.7(3) . .
Zn15 Zn10 O25 C139 171.1(3) . .
O20 Zn10 O25 Zn14 -128.71(16) . .
O26 Zn10 O25 Zn14 62.41(15) . .
O23 Zn10 O25 Zn14 -36.28(14) . .
Zn15 Zn10 O25 Zn14 25.12(14) . .
O33 Zn15 O26 C151 -10.8(4) . .
O27 Zn15 O26 C151 157.8(3) . .
O24 Zn15 O26 C151 -104.8(3) . .
Zn10 Zn15 O26 C151 -140.1(4) . .
O33 Zn15 O26 Zn10 129.36(15) . .
O27 Zn15 O26 Zn10 -62.06(15) . .
O24 Zn15 O26 Zn10 35.35(14) . .
O20 Zn10 O26 C151 -122.0(3) . .
O25 Zn10 O26 C151 45.9(3) . .
O23 Zn10 O26 C151 136.6(3) . .
Zn15 Zn10 O26 C151 145.7(4) . .
O20 Zn10 O26 Zn15 92.3(2) . .
O25 Zn10 O26 Zn15 -99.79(15) . .
O23 Zn10 O26 Zn15 -9.13(15) . .
O33 Zn15 O27 C163 121.0(3) . .
O26 Zn15 O27 C163 -45.4(3) . .
O24 Zn15 O27 C163 -137.8(3) . .
Zn10 Zn15 O27 C163 -78.2(3) . .
O33 Zn15 O27 Zn11 -93.8(2) . .
O26 Zn15 O27 Zn11 99.74(15) . .
O24 Zn15 O27 Zn11 7.35(16) . .
Zn10 Zn15 O27 Zn11 66.98(12) . .
O21 Zn11 O27 C163 15.5(4) . .
O28 Zn11 O27 C163 -152.2(3) . .
O23 Zn11 O27 C163 109.5(3) . .
Zn13 Zn11 O27 C163 170.6(3) . .
O21 Zn11 O27 Zn15 -128.04(16) . .
O28 Zn11 O27 Zn15 64.29(16) . .
O23 Zn11 O27 Zn15 -34.01(15) . .
Zn13 Zn11 O27 Zn15 27.06(14) . .
O21 Zn11 O28 C175 -121.1(3) . .
O27 Zn11 O28 C175 44.7(3) . .
O23 Zn11 O28 C175 135.9(3) . .
Zn13 Zn11 O28 C175 145.8(4) . .
O21 Zn11 O28 Zn13 93.1(2) . .
O27 Zn11 O28 Zn13 -101.14(14) . .
O23 Zn11 O28 Zn13 -9.90(15) . .
O31 Zn13 O28 C175 -12.4(4) . .
O29 Zn13 O28 C175 156.5(3) . .
O24 Zn13 O28 C175 -106.1(3) . .
Zn11 Zn13 O28 C175 -142.2(4) . .
O31 Zn13 O28 Zn11 129.87(15) . .
O29 Zn13 O28 Zn11 -61.30(15) . .
O24 Zn13 O28 Zn11 36.18(14) . .
O31 Zn13 O29 C187 120.3(3) . .
O28 Zn13 O29 C187 -45.5(3) . .
O24 Zn13 O29 C187 -137.3(3) . .
Zn11 Zn13 O29 C187 -77.9(3) . .
O31 Zn13 O29 Zn12 -92.0(2) . .
O28 Zn13 O29 Zn12 102.18(15) . .
O24 Zn13 O29 Zn12 10.36(15) . .
Zn11 Zn13 O29 Zn12 69.74(12) . .
O22 Zn12 O29 C187 17.0(4) . .
O30 Zn12 O29 C187 -154.0(3) . .
O23 Zn12 O29 C187 108.1(3) . .
O22 Zn12 O29 Zn13 -127.93(15) . .
O30 Zn12 O29 Zn13 61.13(15) . .
O23 Zn12 O29 Zn13 -36.79(15) . .
O22 Zn12 O30 C199 -122.4(3) . .
O29 Zn12 O30 C199 46.7(3) . .
O23 Zn12 O30 C199 136.8(3) . .
O22 Zn12 O30 Zn14 88.9(2) . .
O29 Zn12 O30 Zn14 -102.03(15) . .
O23 Zn12 O30 Zn14 -11.94(15) . .
O32 Zn14 O30 C199 -15.9(4) . .
O25 Zn14 O30 C199 158.1(3) . .
O24 Zn14 O30 C199 -107.1(3) . .
O32 Zn14 O30 Zn12 128.15(15) . .
O25 Zn14 O30 Zn12 -57.86(15) . .
O24 Zn14 O30 Zn12 37.00(14) . .
O29 Zn13 O31 Zn16 117.6(2) . .
O28 Zn13 O31 Zn16 -79.3(2) . .
O24 Zn13 O31 Zn16 13.5(2) . .
Zn11 Zn13 O31 Zn16 -34.2(3) . .
O34 Zn16 O31 Zn13 167.92(18) . .
O32 Zn16 O31 Zn13 -66.1(2) . .
O33 Zn16 O31 Zn13 44.0(2) . .
O25 Zn14 O32 Zn16 111.8(2) . .
O30 Zn14 O32 Zn16 -77.4(2) . .
O24 Zn14 O32 Zn16 12.7(2) . .
O34 Zn16 O32 Zn14 168.26(18) . .
O33 Zn16 O32 Zn14 -65.3(2) . .
O31 Zn16 O32 Zn14 46.2(2) . .
O26 Zn15 O33 Zn16 -81.3(2) . .
O27 Zn15 O33 Zn16 115.1(2) . .
O24 Zn15 O33 Zn16 12.2(2) . .
Zn10 Zn15 O33 Zn16 -34.3(3) . .
O34 Zn16 O33 Zn15 174.58(18) . .
O32 Zn16 O33 Zn15 46.3(2) . .
O31 Zn16 O33 Zn15 -63.4(2) . .
O32 Zn16 O34 C211 -140.1(3) . .
O33 Zn16 O34 C211 98.1(4) . .
O31 Zn16 O34 C211 -21.6(4) . .
Zn9 O19 C127 C128 64.3(6) . .
Zn9 O19 C127 C132 -117.2(5) . .
O19 C127 C128 C129 177.9(5) . .
C132 C127 C128 C129 -0.7(8) . .
C127 C128 C129 C130 -1.5(9) . .
C128 C129 C130 C131 2.1(10) . .
C129 C130 C131 C132 -0.5(10) . .
O19 C127 C132 C131 -176.4(5) . .
C128 C127 C132 C131 2.2(8) . .
O19 C127 C132 C133 3.4(8) . .
C128 C127 C132 C133 -178.0(5) . .
C130 C131 C132 C127 -1.7(8) . .
C130 C131 C132 C133 178.6(6) . .
C127 C132 C133 C138 55.5(8) . .
C131 C132 C133 C138 -124.8(6) . .
C127 C132 C133 C134 -125.1(6) . .
C131 C132 C133 C134 54.6(8) . .
C138 C133 C134 C135 -1.4(10) . .
C132 C133 C134 C135 179.1(7) . .
C133 C134 C135 C136 1.3(14) . .
C134 C135 C136 C137 0.7(15) . .
C135 C136 C137 C138 -2.5(13) . .
C134 C133 C138 C137 -0.4(10) . .
C132 C133 C138 C137 179.1(6) . .
C136 C137 C138 C133 2.4(11) . .
Zn14 O25 C139 C140 140.9(3) . .
Zn10 O25 C139 C140 -1.8(5) . .
Zn14 O25 C139 C144 -37.3(5) . .
Zn10 O25 C139 C144 180.0(3) . .
O25 C139 C140 C141 -177.0(4) . .
C144 C139 C140 C141 1.1(7) . .
C139 C140 C141 C142 0.2(7) . .
C140 C141 C142 C143 -0.6(7) . .
C141 C142 C143 C144 -0.4(7) . .
C142 C143 C144 C139 1.7(7) . .
C142 C143 C144 C145 -178.1(4) . .
O25 C139 C144 C143 176.1(4) . .
C140 C139 C144 C143 -2.0(6) . .
O25 C139 C144 C145 -4.1(6) . .
C140 C139 C144 C145 177.7(4) . .
C143 C144 C145 C146 -50.2(6) . .
C139 C144 C145 C146 130.1(5) . .
C143 C144 C145 C150 126.6(5) . .
C139 C144 C145 C150 -53.1(6) . .
C150 C145 C146 C147 -0.1(7) . .
C144 C145 C146 C147 176.8(4) . .
C145 C146 C147 C148 -0.3(8) . .
C146 C147 C148 C149 0.4(8) . .
C147 C148 C149 C150 -0.1(7) . .
C148 C149 C150 C145 -0.3(7) . .
C146 C145 C150 C149 0.4(7) . .
C144 C145 C150 C149 -176.5(4) . .
Zn15 O26 C151 C152 6.5(6) . .
Zn10 O26 C151 C152 -130.6(4) . .
Zn15 O26 C151 C156 -176.1(3) . .
Zn10 O26 C151 C156 46.8(5) . .
O26 C151 C152 C153 176.1(4) . .
C156 C151 C152 C153 -1.2(7) . .
C151 C152 C153 C154 0.8(7) . .
C152 C153 C154 C155 -0.3(7) . .
C153 C154 C155 C156 0.2(7) . .
C154 C155 C156 C151 -0.6(7) . .
C154 C155 C156 C157 178.7(4) . .
O26 C151 C156 C155 -176.3(4) . .
C152 C151 C156 C155 1.1(6) . .
O26 C151 C156 C157 4.4(6) . .
C152 C151 C156 C157 -178.2(4) . .
C155 C156 C157 C162 -127.6(5) . .
C151 C156 C157 C162 51.7(6) . .
C155 C156 C157 C158 51.0(6) . .
C151 C156 C157 C158 -129.7(5) . .
C162 C157 C158 C159 0.4(7) . .
C156 C157 C158 C159 -178.2(4) . .
C157 C158 C159 C160 0.0(8) . .
C158 C159 C160 C161 0.5(8) . .
C159 C160 C161 C162 -1.5(8) . .
C158 C157 C162 C161 -1.4(7) . .
C156 C157 C162 C161 177.2(4) . .
C160 C161 C162 C157 2.0(7) . .
Zn15 O27 C163 C164 138.5(4) . .
Zn11 O27 C163 C164 -1.2(5) . .
Zn15 O27 C163 C168 -38.1(5) . .
Zn11 O27 C163 C168 -177.8(3) . .
O27 C163 C164 C165 -176.5(4) . .
C168 C163 C164 C165 0.2(7) . .
C163 C164 C165 C166 1.2(7) . .
C164 C165 C166 C167 -1.3(7) . .
C165 C166 C167 C168 0.0(7) . .
C166 C167 C168 C163 1.3(7) . .
C166 C167 C168 C169 -177.8(4) . .
O27 C163 C168 C167 175.3(4) . .
C164 C163 C168 C167 -1.4(6) . .
O27 C163 C168 C169 -5.6(6) . .
C164 C163 C168 C169 177.7(4) . .
C167 C168 C169 C170 -50.6(6) . .
C163 C168 C169 C170 130.3(5) . .
C167 C168 C169 C174 126.2(5) . .
C163 C168 C169 C174 -52.9(6) . .
C174 C169 C170 C171 0.0(7) . .
C168 C169 C170 C171 177.0(5) . .
C169 C170 C171 C172 -1.1(8) . .
C170 C171 C172 C173 1.9(9) . .
C171 C172 C173 C174 -1.5(8) . .
C172 C173 C174 C169 0.3(8) . .
C170 C169 C174 C173 0.4(7) . .
C168 C169 C174 C173 -176.5(4) . .
Zn11 O28 C175 C176 -133.0(4) . .
Zn13 O28 C175 C176 5.5(6) . .
Zn11 O28 C175 C180 45.2(5) . .
Zn13 O28 C175 C180 -176.3(3) . .
O28 C175 C176 C177 176.2(4) . .
C180 C175 C176 C177 -1.9(7) . .
C175 C176 C177 C178 0.9(7) . .
C176 C177 C178 C179 0.0(7) . .
C177 C178 C179 C180 0.2(7) . .
C178 C179 C180 C175 -1.2(7) . .
C178 C179 C180 C181 177.8(4) . .
O28 C175 C180 C179 -176.1(4) . .
C176 C175 C180 C179 2.1(6) . .
O28 C175 C180 C181 4.9(6) . .
C176 C175 C180 C181 -176.9(4) . .
C179 C180 C181 C186 -128.7(5) . .
C175 C180 C181 C186 50.2(6) . .
C179 C180 C181 C182 47.0(6) . .
C175 C180 C181 C182 -134.0(5) . .
C186 C181 C182 C183 0.5(7) . .
C180 C181 C182 C183 -175.4(4) . .
C181 C182 C183 C184 0.9(8) . .
C182 C183 C184 C185 -0.9(8) . .
C183 C184 C185 C186 -0.5(8) . .
C184 C185 C186 C181 1.9(7) . .
C182 C181 C186 C185 -1.8(7) . .
C180 C181 C186 C185 174.0(4) . .
Zn13 O29 C187 C192 -40.6(5) . .
Zn12 O29 C187 C192 177.9(3) . .
Zn13 O29 C187 C188 136.8(3) . .
Zn12 O29 C187 C188 -4.7(5) . .
O29 C187 C188 C189 -177.2(4) . .
C192 C187 C188 C189 0.2(6) . .
C187 C188 C189 C190 0.8(7) . .
C188 C189 C190 C191 -0.6(7) . .
C189 C190 C191 C192 -0.8(7) . .
C190 C191 C192 C187 1.9(6) . .
C190 C191 C192 C193 -177.4(4) . .
O29 C187 C192 C191 175.9(4) . .
C188 C187 C192 C191 -1.6(6) . .
O29 C187 C192 C193 -4.9(6) . .
C188 C187 C192 C193 177.6(4) . .
C191 C192 C193 C198 -49.5(6) . .
C187 C192 C193 C198 131.3(5) . .
C191 C192 C193 C194 128.0(5) . .
C187 C192 C193 C194 -51.2(6) . .
C198 C193 C194 C195 0.7(7) . .
C192 C193 C194 C195 -176.8(4) . .
C193 C194 C195 C196 -1.2(7) . .
C194 C195 C196 C197 0.6(8) . .
C195 C196 C197 C198 0.4(8) . .
C196 C197 C198 C193 -0.9(8) . .
C194 C193 C198 C197 0.3(7) . .
C192 C193 C198 C197 177.8(5) . .
Zn12 O30 C199 C200 -135.1(4) . .
Zn14 O30 C199 C200 6.6(6) . .
Zn12 O30 C199 C204 42.4(5) . .
Zn14 O30 C199 C204 -175.9(3) . .
O30 C199 C200 C201 176.4(4) . .
C204 C199 C200 C201 -1.1(7) . .
C199 C200 C201 C202 -0.9(7) . .
C200 C201 C202 C203 1.3(7) . .
C201 C202 C203 C204 0.2(7) . .
O30 C199 C204 C203 -175.0(4) . .
C200 C199 C204 C203 2.5(6) . .
O30 C199 C204 C205 6.0(6) . .
C200 C199 C204 C205 -176.5(4) . .
C202 C203 C204 C199 -2.1(6) . .
C202 C203 C204 C205 176.9(4) . .
C199 C204 C205 C206 55.2(6) . .
C203 C204 C205 C206 -123.8(5) . .
C199 C204 C205 C210 -127.8(5) . .
C203 C204 C205 C210 53.3(6) . .
C210 C205 C206 C207 -0.8(7) . .
C204 C205 C206 C207 176.3(4) . .
C205 C206 C207 C208 1.2(7) . .
C206 C207 C208 C209 0.2(7) . .
C207 C208 C209 C210 -1.9(7) . .
C208 C209 C210 C205 2.3(7) . .
C206 C205 C210 C209 -1.0(7) . .
C204 C205 C210 C209 -178.2(4) . .
Zn16 O34 C211 C216 119.3(4) . .
Zn16 O34 C211 C212 -61.1(6) . .
O34 C211 C212 C213 -177.5(5) . .
C216 C211 C212 C213 2.2(8) . .
C211 C212 C213 C214 1.5(9) . .
C212 C213 C214 C215 -2.7(10) . .
C213 C214 C215 C216 0.3(9) . .
O34 C211 C216 C215 175.1(5) . .
C212 C211 C216 C215 -4.6(8) . .
O34 C211 C216 C217 -3.0(8) . .
C212 C211 C216 C217 177.3(5) . .
C214 C215 C216 C211 3.4(9) . .
C214 C215 C216 C217 -178.5(5) . .
C211 C216 C217 C218 117.5(6) . .
C215 C216 C217 C218 -60.6(8) . .
C211 C216 C217 C222 -62.1(7) . .
C215 C216 C217 C222 119.9(6) . .
C222 C217 C218 C219 -0.8(8) . .
C216 C217 C218 C219 179.7(5) . .
C217 C218 C219 C220 -0.7(9) . .
C218 C219 C220 C221 2.2(9) . .
C219 C220 C221 C222 -2.2(9) . .
C220 C221 C222 C217 0.7(9) . .
C218 C217 C222 C221 0.8(8) . .
C216 C217 C222 C221 -179.7(5) . .
O35 C223 C224 C225 -177.7(6) . .
C228 C223 C224 C225 -1.0(9) . .
C223 C224 C225 C226 1.6(10) . .
C224 C225 C226 C227 -1.8(10) . .
C225 C226 C227 C228 1.5(11) . .
C226 C227 C228 C223 -0.9(9) . .
C226 C227 C228 C229 179.4(6) . .
O35 C223 C228 C227 177.4(5) . .
C224 C223 C228 C227 0.6(8) . .
O35 C223 C228 C229 -2.9(8) . .
C224 C223 C228 C229 -179.7(5) . .
C227 C228 C229 C234 140.7(6) . .
C223 C228 C229 C234 -38.9(8) . .
C227 C228 C229 C230 -37.8(8) . .
C223 C228 C229 C230 142.5(6) . .
C234 C229 C230 C231 -0.2(9) . .
C228 C229 C230 C231 178.4(6) . .
C229 C230 C231 C232 -0.1(10) . .
C230 C231 C232 C233 1.2(11) . .
C231 C232 C233 C234 -2.0(10) . .
C232 C233 C234 C229 1.8(9) . .
C230 C229 C234 C233 -0.7(9) . .
C228 C229 C234 C233 -179.3(6) . .
O36 C235 C236 C237 -179.1(6) . .
C240 C235 C236 C237 -1.3(9) . .
C235 C236 C237 C238 -0.3(11) . .
C236 C237 C238 C239 1.0(12) . .
C237 C238 C239 C240 -0.2(12) . .
O36 C235 C240 C239 179.9(5) . .
C236 C235 C240 C239 2.0(9) . .
O36 C235 C240 C241 -4.7(9) . .
C236 C235 C240 C241 177.5(5) . .
C238 C239 C240 C235 -1.3(10) . .
C238 C239 C240 C241 -177.0(7) . .
C235 C240 C241 C246 -45.0(8) . .
C239 C240 C241 C246 130.3(6) . .
C235 C240 C241 C242 136.4(6) . .
C239 C240 C241 C242 -48.2(8) . .
C246 C241 C242 C243 -0.6(9) . .
C240 C241 C242 C243 178.0(6) . .
C241 C242 C243 C244 -0.7(10) . .
C242 C243 C244 C245 1.0(10) . .
C243 C244 C245 C246 0.0(10) . .
C244 C245 C246 C241 -1.4(9) . .
C242 C241 C246 C245 1.7(8) . .
C240 C241 C246 C245 -176.9(5) . .
O40 Zn17 O37 C247 -110.8(4) . .
O38 Zn17 O37 C247 7.4(4) . .
O39 Zn17 O37 C247 130.6(4) 2_666 .
O42 Zn18 O38 Zn17 114.4(2) . .
O43 Zn18 O38 Zn17 -82.9(3) . .
O41 Zn18 O38 Zn17 10.7(2) 2_666 .
O37 Zn17 O38 Zn18 176.7(2) . .
O40 Zn17 O38 Zn18 -61.5(3) . .
O39 Zn17 O38 Zn18 46.6(3) 2_666 .
O44 Zn19 O39 Zn17 -115.8(2) . 2_666
O42 Zn19 O39 Zn17 83.2(3) . 2_666
O41 Zn19 O39 Zn17 -11.3(2) . 2_666
O43 Zn20 O40 Zn17 113.9(2) 2_666 .
O44 Zn20 O40 Zn17 -80.5(3) . .
O41 Zn20 O40 Zn17 10.8(2) 2_666 .
O37 Zn17 O40 Zn20 170.6(2) . .
O38 Zn17 O40 Zn20 46.0(3) . .
O39 Zn17 O40 Zn20 -62.5(3) 2_666 .
O39 Zn19 O41 O41 -173.3(3) . 2_666
O44 Zn19 O41 O41 -35.8(3) . 2_666
O42 Zn19 O41 O41 61.1(3) . 2_666
O39 Zn19 O41 Zn20 76.1(2) . 2_666
O44 Zn19 O41 Zn20 -146.35(19) . 2_666
O42 Zn19 O41 Zn20 -49.5(2) . 2_666
O39 Zn19 O41 Zn18 -63.0(2) . 2_666
O44 Zn19 O41 Zn18 74.6(2) . 2_666
O42 Zn19 O41 Zn18 171.41(19) . 2_666
O38 Zn18 O42 C265 115.4(4) . .
O43 Zn18 O42 C265 -50.3(4) . .
O41 Zn18 O42 C265 -142.1(4) 2_666 .
O38 Zn18 O42 Zn19 -96.5(2) . .
O43 Zn18 O42 Zn19 97.80(18) . .
O41 Zn18 O42 Zn19 6.05(18) 2_666 .
O39 Zn19 O42 C265 17.1(4) . .
O44 Zn19 O42 C265 -149.8(3) . .
O41 Zn19 O42 C265 112.9(4) . .
O39 Zn19 O42 Zn18 -128.48(19) . .
O44 Zn19 O42 Zn18 64.61(18) . .
O41 Zn19 O42 Zn18 -32.67(18) . .
O38 Zn18 O43 C277 -16.4(4) . .
O42 Zn18 O43 C277 152.1(3) . .
O41 Zn18 O43 C277 -111.3(3) 2_666 .
O38 Zn18 O43 Zn20 128.04(19) . 2_666
O42 Zn18 O43 Zn20 -63.48(18) . 2_666
O41 Zn18 O43 Zn20 33.13(19) 2_666 2_666
O39 Zn19 O44 C289 -116.1(4) . .
O42 Zn19 O44 C289 48.4(4) . .
O41 Zn19 O44 C289 140.6(4) . .
O39 Zn19 O44 Zn20 97.2(3) . .
O42 Zn19 O44 Zn20 -98.31(19) . .
O41 Zn19 O44 Zn20 -6.13(19) . .
O40 Zn20 O44 C289 -19.0(4) . .
O43 Zn20 O44 C289 151.5(4) 2_666 .
O41 Zn20 O44 C289 -111.2(4) 2_666 .
O40 Zn20 O44 Zn19 124.5(2) . .
O43 Zn20 O44 Zn19 -64.94(19) 2_666 .
O41 Zn20 O44 Zn19 32.32(19) 2_666 .
Zn17 O37 C247 C248 68.1(5) . .
Zn17 O37 C247 C252 -112.4(4) . .
O37 C247 C248 C249 179.6(6) . .
C252 C247 C248 C249 0.0 . .
C247 C248 C249 C250 0.0 . .
C248 C249 C250 C251 0.0 . .
C249 C250 C251 C252 0.0 . .
C250 C251 C252 C247 0.0 . .
C250 C251 C252 C253 165.2(8) . .
C250 C251 C252 C259 -154.6(7) . .
O37 C247 C252 C251 -179.6(6) . .
C248 C247 C252 C251 0.0 . .
O37 C247 C252 C253 16.6(9) . .
C248 C247 C252 C253 -163.8(9) . .
O37 C247 C252 C259 -19.9(6) . .
C248 C247 C252 C259 159.7(6) . .
C251 C252 C253 C254 123.2(5) . .
C247 C252 C253 C254 -72.1(7) . .
C259 C252 C253 C254 0.2(8) . .
C251 C252 C253 C258 -54.9(8) . .
C247 C252 C253 C258 109.7(8) . .
C259 C252 C253 C258 -177.9(12) . .
C258 C253 C254 C255 0.0 . .
C252 C253 C254 C255 -178.3(7) . .
C253 C254 C255 C256 0.0 . .
C254 C255 C256 C257 0.0 . .
C255 C256 C257 C258 0.0 . .
C256 C257 C258 C253 0.0 . .
C254 C253 C258 C257 0.0 . .
C252 C253 C258 C257 178.0(8) . .
C251 C252 C259 C260 48.1(10) . .
C247 C252 C259 C260 -109.1(7) . .
C253 C252 C259 C260 127.1(13) . .
C251 C252 C259 C264 -118.3(6) . .
C247 C252 C259 C264 84.5(6) . .
C253 C252 C259 C264 -39.3(8) . .
C264 C259 C260 C261 0.0 . .
C252 C259 C260 C261 -165.6(10) . .
C259 C260 C261 C262 0.0 . .
C260 C261 C262 C263 0.0 . .
C261 C262 C263 C264 0.0 . .
C262 C263 C264 C259 0.0 . .
C260 C259 C264 C263 0.0 . .
C252 C259 C264 C263 167.1(9) . .
Zn18 O42 C265 C266 135.7(4) . .
Zn19 O42 C265 C266 -6.8(6) . .
Zn18 O42 C265 C270 -42.3(6) . .
Zn19 O42 C265 C270 175.3(3) . .
O42 C265 C266 C267 -178.4(4) . .
C270 C265 C266 C267 -0.4(8) . .
C265 C266 C267 C268 -0.2(8) . .
C266 C267 C268 C269 1.0(8) . .
C267 C268 C269 C270 -1.3(8) . .
C268 C269 C270 C265 0.7(7) . .
C268 C269 C270 C271 -178.8(5) . .
O42 C265 C270 C269 178.1(4) . .
C266 C265 C270 C269 0.1(7) . .
O42 C265 C270 C271 -2.4(7) . .
C266 C265 C270 C271 179.6(5) . .
C269 C270 C271 C272 -49.2(7) . .
C265 C270 C271 C272 131.3(5) . .
C269 C270 C271 C276 126.6(5) . .
C265 C270 C271 C276 -52.9(7) . .
C276 C271 C272 C273 0.6(8) . .
C270 C271 C272 C273 176.5(5) . .
C271 C272 C273 C274 -1.7(9) . .
C272 C273 C274 C275 2.0(9) . .
C273 C274 C275 C276 -1.3(9) . .
C272 C271 C276 C275 0.2(8) . .
C270 C271 C276 C275 -175.7(5) . .
C274 C275 C276 C271 0.1(8) . .
Zn20 O43 C277 C278 -134.8(4) 2_666 .
Zn18 O43 C277 C278 7.0(6) . .
Zn20 O43 C277 C282 41.9(5) 2_666 .
Zn18 O43 C277 C282 -176.3(3) . .
O43 C277 C278 C279 177.5(4) . .
C282 C277 C278 C279 0.7(8) . .
C277 C278 C279 C280 -1.0(8) . .
C278 C279 C280 C281 0.6(8) . .
C279 C280 C281 C282 -0.1(8) . .
C280 C281 C282 C277 -0.2(7) . .
C280 C281 C282 C283 179.0(5) . .
O43 C277 C282 C281 -176.9(4) . .
C278 C277 C282 C281 -0.1(7) . .
O43 C277 C282 C283 3.9(7) . .
C278 C277 C282 C283 -179.3(5) . .
C281 C282 C283 C288 -130.2(5) . .
C277 C282 C283 C288 49.0(7) . .
C281 C282 C283 C284 47.7(7) . .
C277 C282 C283 C284 -133.1(5) . .
C288 C283 C284 C285 1.5(8) . .
C282 C283 C284 C285 -176.5(5) . .
C283 C284 C285 C286 -0.3(8) . .
C284 C285 C286 C287 -0.5(9) . .
C285 C286 C287 C288 0.0(8) . .
C284 C283 C288 C287 -2.0(7) . .
C282 C283 C288 C287 176.0(5) . .
C286 C287 C288 C283 1.2(8) . .
Zn19 O44 C289 C294 43.4(6) . .
Zn20 O44 C289 C294 -175.7(4) . .
Zn19 O44 C289 C290 -132.7(4) . .
Zn20 O44 C289 C290 8.1(6) . .
O44 C289 C290 C291 176.8(5) . .
C294 C289 C290 C291 0.7(8) . .
C289 C290 C291 C292 0.4(8) . .
C290 C291 C292 C293 -1.8(8) . .
C291 C292 C293 C294 2.2(8) . .
O44 C289 C294 C293 -176.5(4) . .
C290 C289 C294 C293 -0.3(7) . .
O44 C289 C294 C295 3.4(8) . .
C290 C289 C294 C295 179.5(5) . .
C292 C293 C294 C289 -1.1(8) . .
C292 C293 C294 C295 179.0(5) . .
C289 C294 C295 C296 -131.1(6) . .
C293 C294 C295 C296 48.7(7) . .
C289 C294 C295 C300 51.0(7) . .
C293 C294 C295 C300 -129.1(5) . .
C300 C295 C296 C297 0.2(8) . .
C294 C295 C296 C297 -177.7(5) . .
C295 C296 C297 C298 1.9(9) . .
C296 C297 C298 C299 -3.2(9) . .
C297 C298 C299 C300 2.4(9) . .
C296 C295 C300 C299 -1.1(8) . .
C294 C295 C300 C299 176.9(5) . .
C298 C299 C300 C295 -0.2(8) . .
O45 C301 C302 C303 -178.7(8) . .
C306 C301 C302 C303 -0.5(12) . .
C301 C302 C303 C304 1.3(12) . .
C302 C303 C304 C305 -0.5(11) . .
C303 C304 C305 C306 -1.2(11) . .
C304 C305 C306 C301 1.9(10) . .
C304 C305 C306 C307 -177.6(7) . .
O45 C301 C306 C305 177.2(7) . .
C302 C301 C306 C305 -1.0(11) . .
O45 C301 C306 C307 -3.2(11) . .
C302 C301 C306 C307 178.5(7) . .
C305 C306 C307 C312 133.8(7) . .
C301 C306 C307 C312 -45.7(10) . .
C305 C306 C307 C308 -44.8(10) . .
C301 C306 C307 C308 135.7(7) . .
C312 C307 C308 C309 0.5(10) . .
C306 C307 C308 C309 179.1(6) . .
C307 C308 C309 C310 0.5(10) . .
C308 C309 C310 C311 -1.8(10) . .
C309 C310 C311 C312 2.1(10) . .
C310 C311 C312 C307 -1.1(11) . .
C308 C307 C312 C311 -0.1(10) . .
C306 C307 C312 C311 -178.7(7) . .
O47 Zn21 O46 C313 1.6(4) 2_655 .
O48 Zn21 O46 C313 122.6(3) . .
O49 Zn21 O46 C313 -117.9(3) . .
O51 Zn22 O47 Zn21 -115.8(2) . 2_655
O52 Zn22 O47 Zn21 81.2(3) . 2_655
O50 Zn22 O47 Zn21 -11.5(2) 2_655 2_655
O51 Zn23 O48 Zn21 -83.0(3) . .
O53 Zn23 O48 Zn21 114.4(2) 2_655 .
O50 Zn23 O48 Zn21 10.4(2) . .
O46 Zn21 O48 Zn23 172.37(19) . .
O47 Zn21 O48 Zn23 -61.7(3) 2_655 .
O49 Zn21 O48 Zn23 46.8(3) . .
O53 Zn24 O49 Zn21 -79.1(3) . .
O52 Zn24 O49 Zn21 114.5(2) . .
O50 Zn24 O49 Zn21 12.5(2) . .
O46 Zn21 O49 Zn24 169.0(2) . .
O47 Zn21 O49 Zn24 44.5(3) 2_655 .
O48 Zn21 O49 Zn24 -63.8(3) . .
O48 Zn23 O50 O50 173.4(3) . 2_655
O51 Zn23 O50 O50 -61.8(3) . 2_655
O53 Zn23 O50 O50 33.8(3) 2_655 2_655
O48 Zn23 O50 Zn22 63.82(17) . 2_655
O51 Zn23 O50 Zn22 -171.35(16) . 2_655
O53 Zn23 O50 Zn22 -75.80(17) 2_655 2_655
O48 Zn23 O50 Zn24 -75.27(17) . .
O51 Zn23 O50 Zn24 49.56(17) . .
O53 Zn23 O50 Zn24 145.11(16) 2_655 .
O49 Zn24 O50 O50 173.6(3) . 2_655
O53 Zn24 O50 O50 -62.0(3) . 2_655
O52 Zn24 O50 O50 34.4(3) . 2_655
O49 Zn24 O50 Zn23 63.05(17) . .
O53 Zn24 O50 Zn23 -172.49(16) . .
O52 Zn24 O50 Zn23 -76.11(16) . .
O49 Zn24 O50 Zn22 -75.93(17) . 2_655
O53 Zn24 O50 Zn22 48.53(17) . 2_655
O52 Zn24 O50 Zn22 144.91(16) . 2_655
O47 Zn22 O51 C331 -118.2(3) . .
O52 Zn22 O51 C331 47.7(3) . .
O50 Zn22 O51 C331 139.1(3) 2_655 .
O47 Zn22 O51 Zn23 96.4(2) . .
O52 Zn22 O51 Zn23 -97.66(17) . .
O50 Zn22 O51 Zn23 -6.25(17) 2_655 .
O48 Zn23 O51 C331 -14.7(4) . .
O53 Zn23 O51 C331 153.8(3) 2_655 .
O50 Zn23 O51 C331 -109.0(3) . .
O48 Zn23 O51 Zn22 127.23(17) . .
O53 Zn23 O51 Zn22 -64.27(17) 2_655 .
O50 Zn23 O51 Zn22 32.90(16) . .
O47 Zn22 O52 C343 21.3(4) . .
O51 Zn22 O52 C343 -147.2(3) . .
O50 Zn22 O52 C343 115.5(3) 2_655 .
O47 Zn22 O52 Zn24 -128.46(17) . .
O51 Zn22 O52 Zn24 63.03(18) . .
O50 Zn22 O52 Zn24 -34.34(16) 2_655 .
O49 Zn24 O52 C343 116.3(3) . .
O53 Zn24 O52 C343 -52.4(3) . .
O50 Zn24 O52 C343 -142.9(3) . .
O49 Zn24 O52 Zn22 -92.6(2) . .
O53 Zn24 O52 Zn22 98.71(17) . .
O50 Zn24 O52 Zn22 8.23(17) . .
O49 Zn24 O53 C355 -17.9(4) . .
O52 Zn24 O53 C355 153.0(3) . .
O50 Zn24 O53 C355 -111.1(3) . .
O49 Zn24 O53 Zn23 127.25(17) . 2_655
O52 Zn24 O53 Zn23 -61.81(17) . 2_655
O50 Zn24 O53 Zn23 34.05(16) . 2_655
Zn21 O46 C313 C314 66.3(4) . .
Zn21 O46 C313 C318 -114.3(3) . .
O46 C313 C314 C315 179.4(4) . .
C318 C313 C314 C315 0.0 . .
C313 C314 C315 C316 0.0 . .
C314 C315 C316 C317 0.0 . .
C315 C316 C317 C318 0.0 . .
C316 C317 C318 C325 -175.3(6) . .
C316 C317 C318 C313 0.0 . .
C316 C317 C318 C319 177.3(5) . .
O46 C313 C318 C325 -5.5(8) . .
C314 C313 C318 C325 173.9(8) . .
O46 C313 C318 C317 -179.4(4) . .
C314 C313 C318 C317 0.0 . .
O46 C313 C318 C319 3.1(5) . .
C314 C313 C318 C319 -177.5(4) . .
C325 C318 C319 C320 87.5(19) . .
C317 C318 C319 C320 110.2(5) . .
C313 C318 C319 C320 -72.4(6) . .
C325 C318 C319 C324 -88.4(19) . .
C317 C318 C319 C324 -65.7(6) . .
C313 C318 C319 C324 111.7(5) . .
C324 C319 C320 C321 0.0 . .
C318 C319 C320 C321 -176.0(6) . .
C319 C320 C321 C322 0.0 . .
C320 C321 C322 C323 0.0 . .
C321 C322 C323 C324 0.0 . .
C322 C323 C324 C319 0.0 . .
C320 C319 C324 C323 0.0 . .
C318 C319 C324 C323 175.9(6) . .
O54 C367 C368 C369 177.9(9) . .
C372 C367 C368 C369 0.0 . .
C367 C368 C369 C370 0.0 . .
C368 C369 C370 C371 0.0 . .
C369 C370 C371 C372 0.0 . .
C370 C371 C372 C367 0.0 . .
C370 C371 C372 C373 178.9(7) . .
O54 C367 C372 C371 -177.9(9) . .
C368 C367 C372 C371 0.0 . .
O54 C367 C372 C373 3.2(10) . .
C368 C367 C372 C373 -178.9(7) . .
C371 C372 C373 C374 -38.7(7) . .
C367 C372 C373 C374 140.3(5) . .
C371 C372 C373 C378 137.2(5) . .
C367 C372 C373 C378 -43.8(8) . .
C378 C373 C374 C375 0.0 . .
C372 C373 C374 C375 175.9(7) . .
C373 C374 C375 C376 0.0 . .
C374 C375 C376 C377 0.0 . .
C375 C376 C377 C378 0.0 . .
C376 C377 C378 C373 0.0 . .
C374 C373 C378 C377 0.0 . .
C372 C373 C378 C377 -175.8(7) . .
C317 C318 C325 C326 -118.1(6) . .
C313 C318 C325 C326 67.4(9) . .
C319 C318 C325 C326 42.5(16) . .
C317 C318 C325 C330 65.9(9) . .
C313 C318 C325 C330 -108.6(8) . .
C319 C318 C325 C330 -134(2) . .
C318 C325 C326 C327 -176.3(10) . .
C330 C325 C326 C327 0.0 . .
C325 C326 C327 C328 0.0 . .
C326 C327 C328 C329 0.0 . .
C327 C328 C329 C330 0.0 . .
C328 C329 C330 C325 0.0 . .
C318 C325 C330 C329 175.9(10) . .
C326 C325 C330 C329 0.0 . .
O55 C379 C380 C381 -177.0(11) . .
C384 C379 C380 C381 0.0 . .
C379 C380 C381 C382 0.0 . .
C380 C381 C382 C383 0.0 . .
C381 C382 C383 C384 0.0 . .
C382 C383 C384 C379 0.0 . .
C382 C383 C384 C385 177.8(9) . .
O55 C379 C384 C383 177.1(11) . .
C380 C379 C384 C383 0.0 . .
O55 C379 C384 C385 -0.6(12) . .
C380 C379 C384 C385 -177.7(9) . .
C383 C384 C385 C386 -40.7(10) . .
C379 C384 C385 C386 137.0(7) . .
C383 C384 C385 C390 138.9(7) . .
C379 C384 C385 C390 -43.3(10) . .
C390 C385 C386 C387 0.0 . .
C384 C385 C386 C387 179.7(10) . .
C385 C386 C387 C388 0.0 . .
C386 C387 C388 C389 0.0 . .
C387 C388 C389 C390 0.0 . .
C388 C389 C390 C385 0.0 . .
C386 C385 C390 C389 0.0 . .
C384 C385 C390 C389 -179.7(10) . .
Zn22 O51 C331 C336 42.0(5) . .
Zn23 O51 C331 C336 -179.2(3) . .
Zn22 O51 C331 C332 -136.0(4) . .
Zn23 O51 C331 C332 2.9(6) . .
O51 C331 C332 C333 176.6(4) . .
C336 C331 C332 C333 -1.3(7) . .
C331 C332 C333 C334 2.2(8) . .
C332 C333 C334 C335 -2.2(7) . .
C333 C334 C335 C336 1.3(7) . .
C334 C335 C336 C331 -0.4(7) . .
C334 C335 C336 C337 177.9(4) . .
O51 C331 C336 C335 -177.5(4) . .
C332 C331 C336 C335 0.4(7) . .
O51 C331 C336 C337 4.2(7) . .
C332 C331 C336 C337 -177.9(4) . .
C335 C336 C337 C338 47.4(7) . .
C331 C336 C337 C338 -134.3(5) . .
C335 C336 C337 C342 -129.5(5) . .
C331 C336 C337 C342 48.7(7) . .
C342 C337 C338 C339 1.0(8) . .
C336 C337 C338 C339 -176.0(5) . .
C337 C338 C339 C340 1.0(8) . .
C338 C339 C340 C341 -2.3(8) . .
C339 C340 C341 C342 1.6(8) . .
C340 C341 C342 C337 0.5(8) . .
C338 C337 C342 C341 -1.7(7) . .
C336 C337 C342 C341 175.3(5) . .
Zn22 O52 C343 C344 -8.6(6) . .
Zn24 O52 C343 C344 138.1(4) . .
Zn22 O52 C343 C348 173.2(3) . .
Zn24 O52 C343 C348 -40.1(5) . .
O52 C343 C344 C345 -179.2(4) . .
C348 C343 C344 C345 -1.0(7) . .
C343 C344 C345 C346 0.3(8) . .
C344 C345 C346 C347 1.3(8) . .
C345 C346 C347 C348 -2.3(8) . .
C346 C347 C348 C343 1.7(7) . .
C346 C347 C348 C349 -176.6(5) . .
O52 C343 C348 C347 178.2(4) . .
C344 C343 C348 C347 0.0(7) . .
O52 C343 C348 C349 -3.5(7) . .
C344 C343 C348 C349 178.2(5) . .
C347 C348 C349 C350 -50.4(7) . .
C343 C348 C349 C350 131.4(5) . .
C347 C348 C349 C354 125.0(5) . .
C343 C348 C349 C354 -53.2(7) . .
C354 C349 C350 C351 0.0(8) . .
C348 C349 C350 C351 175.5(5) . .
C349 C350 C351 C352 -1.8(9) . .
C350 C351 C352 C353 2.2(10) . .
C351 C352 C353 C354 -0.7(9) . .
C352 C353 C354 C349 -1.2(8) . .
C350 C349 C354 C353 1.5(7) . .
C348 C349 C354 C353 -173.9(5) . .
Zn24 O53 C355 C356 9.0(6) . .
Zn23 O53 C355 C356 -133.3(4) 2_655 .
Zn24 O53 C355 C360 -175.3(3) . .
Zn23 O53 C355 C360 42.4(5) 2_655 .
O53 C355 C356 C357 175.4(4) . .
C360 C355 C356 C357 -0.3(7) . .
C355 C356 C357 C358 0.8(8) . .
C356 C357 C358 C359 0.1(8) . .
C357 C358 C359 C360 -1.4(8) . .
C358 C359 C360 C355 1.9(7) . .
C358 C359 C360 C361 179.5(5) . .
O53 C355 C360 C359 -176.7(4) . .
C356 C355 C360 C359 -1.0(7) . .
O53 C355 C360 C361 5.7(7) . .
C356 C355 C360 C361 -178.6(5) . .
C359 C360 C361 C362 47.0(7) . .
C355 C360 C361 C362 -135.5(5) . .
C359 C360 C361 C366 -131.6(5) . .
C355 C360 C361 C366 45.9(7) . .
C366 C361 C362 C363 0.6(8) . .
C360 C361 C362 C363 -178.1(5) . .
C361 C362 C363 C364 0.0(9) . .
C362 C363 C364 C365 -0.1(9) . .
C363 C364 C365 C366 -0.4(9) . .
C362 C361 C366 C365 -1.1(8) . .
C360 C361 C366 C365 177.6(5) . .
C364 C365 C366 C361 1.0(8) . .
