#------------------------------------------------------------------------------
#$Date: 2016-11-06 03:47:42 +0200 (Sun, 06 Nov 2016) $
#$Revision: 187927 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/51/4125147.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_4125147
loop_
_publ_author_name
'Yuan, Shuai'
'Chen, Ying-Pin'
'Qin, Jun-Sheng'
'Lu, Weigang'
'Zou, Lanfang'
'Zhang, Qiang'
'Wang, Xuan'
'Sun, Xing'
'Zhou, Hong-Cai'
_publ_section_title
;
 Linker Installation: Engineering Pore Environment with Precisely Placed
 Functionalities in Zirconium MOFs.
;
_journal_issue                   28
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8912
_journal_page_last               8919
_journal_paper_doi               10.1021/jacs.6b04501
_journal_volume                  138
_journal_year                    2016
_chemical_formula_moiety
'(Zr6 O8) (C16 H12 O4)4 (C12 H6 O4) (C20 H12 O4)'
_chemical_formula_sum            'C96 H66 O32 Zr6'
_chemical_formula_weight         2278.81
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           131
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4c 2'
_symmetry_space_group_name_H-M   'P 42/m m c'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   23.900(3)
_cell_length_b                   23.900
_cell_length_c                   16.817(2)
_cell_measurement_reflns_used    9943
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      27.3069
_cell_measurement_theta_min      2.2577
_cell_volume                     9606.0(17)
_computing_cell_refinement       'SAINT+ ver. (Bruker, 2001)'
_computing_data_collection       'APEX2  (Bruker, 2008)'
_computing_data_reduction        'SAINT+ ver. (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.785
_diffrn_measured_fraction_theta_max 0.785
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.1455
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3629
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    0.354
_exptl_absorpt_correction_T_max  0.9655
_exptl_absorpt_correction_T_min  0.9655
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    0.788
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2276
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_platon_squeeze_details
;
;
_refine_diff_density_max         1.254
_refine_diff_density_min         -1.028
_refine_diff_density_rms         0.209
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     137
_refine_ls_number_reflns         3629
_refine_ls_number_restraints     231
_refine_ls_restrained_S_all      0.991
_refine_ls_R_factor_all          0.1614
_refine_ls_R_factor_gt           0.1263
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0300P)²+360.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2823
_refine_ls_wR_factor_ref         0.2946
_reflns_number_gt                2423
_reflns_number_total             3629
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja6b04501_si_002.cif
_cod_data_source_block           Compound10
_cod_depositor_comments
;
The following automatic conversions were performed:

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

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 4125130--4125148.cif.
;
_cod_original_cell_volume        9606.5(18)
_cod_original_sg_symbol_H-M      P4(2)/mmc
_cod_database_code               4125147
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x, z+1/2'
'-x, -y, z'
'y, -x, z+1/2'
'x, -y, -z'
'-x, y, -z'
'y, x, -z+1/2'
'-y, -x, -z+1/2'
'-x, -y, -z'
'y, -x, -z-1/2'
'x, y, -z'
'-y, x, -z-1/2'
'-x, y, z'
'x, -y, z'
'-y, -x, z-1/2'
'y, x, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zr1 Zr 0.10524(8) 0.5000 0.0000 0.0110(5) Uani 1 4 d S . .
Zr2 Zr 0.0000 0.42713(6) 0.10381(8) 0.0167(5) Uani 1 2 d S . .
O1S O 0.0534(5) 0.5000 0.1068(9) 0.048(4) Uani 1 2 d S . .
O2S O 0.0530(6) 0.4276(6) 0.0000 0.052(4) Uani 1 2 d S . .
O1 O 0.1508(4) 0.4409(4) 0.0812(5) 0.053(3) Uani 1 1 d D . .
O2 O 0.0801(4) 0.3905(4) 0.1503(7) 0.064(3) Uani 1 1 d D . .
C1 C 0.1295(4) 0.4029(6) 0.1262(9) 0.080(6) Uani 1 1 d D . .
C2 C 0.1742(6) 0.3662(5) 0.1627(9) 0.167(5) Uani 1 1 d D . .
C3 C 0.1598(5) 0.3297(6) 0.2226(11) 0.167(5) Uani 1 1 d D . .
H3A H 0.1220 0.3280 0.2398 0.200 Uiso 1 1 calc R . .
C4 C 0.1990(5) 0.2952(6) 0.2582(9) 0.167(5) Uani 1 1 d D . .
H4A H 0.1879 0.2704 0.2995 0.200 Uiso 1 1 calc R . .
C5 C 0.2548(5) 0.2966(5) 0.2338(5) 0.167(5) Uani 1 1 d D . .
C6 C 0.2698(5) 0.3334(6) 0.1731(7) 0.167(5) Uani 1 1 d D . .
C7 C 0.2297(6) 0.3674(5) 0.1389(9) 0.167(5) Uani 1 1 d D . .
H7A H 0.2405 0.3923 0.0977 0.200 Uiso 1 1 calc R . .
C8 C 0.3300(6) 0.3362(9) 0.1456(12) 0.167(5) Uani 1 1 d D . .
H8A H 0.3335 0.3639 0.1029 0.251 Uiso 1 1 calc R . .
H8B H 0.3416 0.2994 0.1258 0.251 Uiso 1 1 calc R . .
H8C H 0.3540 0.3471 0.1903 0.251 Uiso 1 1 calc R . .
O11 O 0.0000 0.4487(6) 0.2271(11) 0.038(5) Uani 0.25 2 d SPDU . .
O12 O 0.0000 0.5452(7) 0.2072(9) 0.038(5) Uani 0.25 2 d SPDU . .
O13 O 0.0000 0.5493(6) 0.7473(12) 0.038(5) Uani 0.25 2 d SPDU . .
O14 O 0.0000 0.4561(8) 0.7645(9) 0.038(5) Uani 0.25 2 d SPDU . .
C11 C 0.0000 0.5000 0.2477(5) 0.099(9) Uani 0.50 4 d SPDU . .
C12 C 0.0000 0.5094(3) 0.33663(8) 0.099(9) Uani 0.25 2 d SPDU . .
C13 C 0.0000 0.5636(3) 0.36652(11) 0.099(9) Uani 0.25 2 d SPDU . .
H13A H 0.0000 0.5839 0.3179 0.119 Uiso 0.25 2 calc SPR . .
C14 C 0.0000 0.5725(2) 0.44822(13) 0.099(9) Uani 0.25 2 d SPDU . .
H14A H 0.0000 0.6100 0.4689 0.119 Uiso 0.25 2 d SPR . .
C15 C 0.0000 0.5272(2) 0.5000 0.099(9) Uani 0.50 4 d SPDU . .
C16 C 0.0000 0.4729(2) 0.47011(13) 0.099(9) Uani 0.25 2 d SPDU . .
C17 C 0.0000 0.4640(3) 0.38841(16) 0.099(9) Uani 0.25 2 d SPDU . .
H17A H 0.0000 0.4266 0.3678 0.119 Uiso 0.25 2 d SPR . .
C18 C 0.0000 0.4276(3) 0.5219(2) 0.099(9) Uani 0.25 2 d SPDU . .
H18A H 0.0000 0.3902 0.5000 0.119 Uiso 0.50 4 d SPR . .
C19 C 0.0000 0.4365(3) 0.6036(2) 0.099(9) Uani 0.25 2 d SPDU . .
H19A H 0.0000 0.4052 0.6394 0.119 Uiso 0.25 2 d SPR . .
C20 C 0.0000 0.4907(3) 0.63350(10) 0.099(9) Uani 0.25 2 d SPDU . .
C21 C 0.0000 0.5361(3) 0.58170(6) 0.099(9) Uani 0.25 2 d SPDU . .
H21A H 0.0000 0.5735 0.6023 0.119 Uiso 0.25 2 d SPR . .
C22 C 0.0000 0.5000 0.7222(6) 0.099(9) Uani 0.50 4 d SPDU . .
O31 O 0.0000 0.3378(7) 0.0645(14) 0.106(5) Uani 1 2 d SU . .
C31 C 0.0000 0.3130(7) 0.0000 0.106(5) Uani 1 4 d SDU . .
C32 C 0.0174(5) 0.2524(6) 0.0000 0.106(5) Uani 0.50 2 d SPDU . .
C33 C 0.0286(8) 0.2254(6) 0.07151(9) 0.106(5) Uani 0.50 1 d PDU . .
H33A H 0.0236 0.2448 0.1210 0.127 Uiso 0.50 1 d PR A .
C35 C 0.0495(14) 0.1407(7) 0.0000 0.106(5) Uani 0.50 2 d SPDU . .
C36 C 0.0621(13) 0.0789(7) 0.0000 0.106(5) Uani 0.25 1 d PDU A .
C37 C 0.072(2) 0.0298(8) 0.0000 0.106(5) Uani 0.50 2 d SPDU . .
C34 C 0.0446(10) 0.1694(6) 0.07158(3) 0.106(5) Uani 0.25 1 d PDU A 1
C38 C 0.052(2) 0.1388(9) 0.1491(6) 0.106(5) Uani 0.25 1 d PD A 1
H38A H 0.0578 0.1659 0.1920 0.159 Uiso 0.25 1 calc PR A 1
H38B H 0.0842 0.1138 0.1455 0.159 Uiso 0.25 1 calc PR A 1
H38C H 0.0181 0.1168 0.1604 0.159 Uiso 0.25 1 calc PR A 1
C34B C 0.0446(10) 0.1694(6) 0.07158(3) 0.106(5) Uani 0.25 1 d P A 2
H34A H 0.0521 0.1509 0.1204 0.127 Uiso 0.25 1 calc PR A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Zr Zr -2.9673 0.5597 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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'
H H 0.0000 0.0000 '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
O2S Zr1 O2S 108.4(8) 5_565 .
O2S Zr1 O1S 70.6(3) 5_565 .
O2S Zr1 O1S 70.6(3) . .
O2S Zr1 O1S 70.6(3) 5_565 11
O2S Zr1 O1S 70.6(3) . 11
O1S Zr1 O1S 110.8(7) . 11
O2S Zr1 O1 76.9(4) 5_565 14_565
O2S Zr1 O1 142.5(2) . 14_565
O1S Zr1 O1 77.0(4) . 14_565
O1S Zr1 O1 140.9(3) 11 14_565
O2S Zr1 O1 142.5(2) 5_565 11
O2S Zr1 O1 76.9(4) . 11
O1S Zr1 O1 140.9(3) . 11
O1S Zr1 O1 77.0(4) 11 11
O1 Zr1 O1 122.0(5) 14_565 11
O2S Zr1 O1 76.9(4) 5_565 5_565
O2S Zr1 O1 142.5(2) . 5_565
O1S Zr1 O1 140.9(3) . 5_565
O1S Zr1 O1 77.0(4) 11 5_565
O1 Zr1 O1 74.9(5) 14_565 5_565
O1 Zr1 O1 77.9(5) 11 5_565
O2S Zr1 O1 142.5(2) 5_565 .
O2S Zr1 O1 76.9(4) . .
O1S Zr1 O1 77.0(4) . .
O1S Zr1 O1 140.9(3) 11 .
O1 Zr1 O1 77.9(5) 14_565 .
O1 Zr1 O1 74.9(5) 11 .
O1 Zr1 O1 122.0(5) 5_565 .
O2S Zr1 Zr2 89.1(4) 5_565 11
O2S Zr1 Zr2 35.1(2) . 11
O1S Zr1 Zr2 90.2(3) . 11
O1S Zr1 Zr2 35.6(2) 11 11
O1 Zr1 Zr2 163.4(3) 14_565 11
O1 Zr1 Zr2 74.6(3) 11 11
O1 Zr1 Zr2 110.8(3) 5_565 11
O1 Zr1 Zr2 109.7(3) . 11
O2S Zr1 Zr2 35.1(2) 5_565 9_565
O2S Zr1 Zr2 89.1(4) . 9_565
O1S Zr1 Zr2 90.2(3) . 9_565
O1S Zr1 Zr2 35.6(2) 11 9_565
O1 Zr1 Zr2 109.7(3) 14_565 9_565
O1 Zr1 Zr2 110.8(3) 11 9_565
O1 Zr1 Zr2 74.6(3) 5_565 9_565
O1 Zr1 Zr2 163.4(3) . 9_565
Zr2 Zr1 Zr2 59.27(5) 11 9_565
O2S Zr1 Zr2 35.1(2) 5_565 3_565
O2S Zr1 Zr2 89.1(4) . 3_565
O1S Zr1 Zr2 35.6(2) . 3_565
O1S Zr1 Zr2 90.2(3) 11 3_565
O1 Zr1 Zr2 74.6(3) 14_565 3_565
O1 Zr1 Zr2 163.4(3) 11 3_565
O1 Zr1 Zr2 109.7(3) 5_565 3_565
O1 Zr1 Zr2 110.8(3) . 3_565
Zr2 Zr1 Zr2 88.87(5) 11 3_565
Zr2 Zr1 Zr2 59.43(5) 9_565 3_565
O2S Zr1 Zr2 89.1(4) 5_565 .
O2S Zr1 Zr2 35.1(2) . .
O1S Zr1 Zr2 35.6(2) . .
O1S Zr1 Zr2 90.2(3) 11 .
O1 Zr1 Zr2 110.8(3) 14_565 .
O1 Zr1 Zr2 109.7(3) 11 .
O1 Zr1 Zr2 163.4(3) 5_565 .
O1 Zr1 Zr2 74.6(3) . .
Zr2 Zr1 Zr2 59.43(5) 11 .
Zr2 Zr1 Zr2 88.87(5) 9_565 .
Zr2 Zr1 Zr2 59.27(5) 3_565 .
O12 Zr2 O11 6.9(8) 3_565 .
O12 Zr2 O2S 139.0(4) 3_565 13
O11 Zr2 O2S 141.6(3) . 13
O12 Zr2 O2S 139.0(4) 3_565 .
O11 Zr2 O2S 141.6(3) . .
O2S Zr2 O2S 72.0(6) 13 .
O12 Zr2 O1S 72.0(6) 3_565 3_565
O11 Zr2 O1S 77.5(5) . 3_565
O2S Zr2 O1S 70.6(5) 13 3_565
O2S Zr2 O1S 111.2(6) . 3_565
O12 Zr2 O1S 72.0(6) 3_565 .
O11 Zr2 O1S 77.5(5) . .
O2S Zr2 O1S 111.2(6) 13 .
O2S Zr2 O1S 70.6(5) . .
O1S Zr2 O1S 72.5(5) 3_565 .
O12 Zr2 O31 128.0(9) 3_565 .
O11 Zr2 O31 121.2(7) . .
O2S Zr2 O31 76.4(6) 13 .
O2S Zr2 O31 76.4(6) . .
O1S Zr2 O31 141.0(3) 3_565 .
O1S Zr2 O31 141.0(3) . .
O12 Zr2 O2 79.2(4) 3_565 .
O11 Zr2 O2 75.9(4) . .
O2S Zr2 O2 141.7(4) 13 .
O2S Zr2 O2 77.5(4) . .
O1S Zr2 O2 144.1(4) 3_565 .
O1S Zr2 O2 78.6(4) . .
O31 Zr2 O2 74.4(4) . .
O12 Zr2 O2 79.2(4) 3_565 13
O11 Zr2 O2 75.9(4) . 13
O2S Zr2 O2 77.5(4) 13 13
O2S Zr2 O2 141.7(4) . 13
O1S Zr2 O2 78.6(4) 3_565 13
O1S Zr2 O2 144.1(4) . 13
O31 Zr2 O2 74.4(4) . 13
O2 Zr2 O2 116.9(5) . 13
O12 Zr2 O14 3.4(9) 3_565 11_556
O11 Zr2 O14 3.4(8) . 11_556
O2S Zr2 O14 140.4(3) 13 11_556
O2S Zr2 O14 140.4(3) . 11_556
O1S Zr2 O14 74.7(6) 3_565 11_556
O1S Zr2 O14 74.7(6) . 11_556
O31 Zr2 O14 124.6(8) . 11_556
O2 Zr2 O14 77.5(4) . 11_556
O2 Zr2 O14 77.5(4) 13 11_556
O12 Zr2 O13 8.1(8) 3_565 9_566
O11 Zr2 O13 1.3(6) . 9_566
O2S Zr2 O13 142.0(3) 13 9_566
O2S Zr2 O13 142.0(3) . 9_566
O1S Zr2 O13 78.5(5) 3_565 9_566
O1S Zr2 O13 78.5(5) . 9_566
O31 Zr2 O13 119.9(7) . 9_566
O2 Zr2 O13 75.3(3) . 9_566
O2 Zr2 O13 75.3(3) 13 9_566
O14 Zr2 O13 4.7(7) 11_556 9_566
O12 Zr2 Zr2 69.2(7) 3_565 3_565
O11 Zr2 Zr2 76.1(4) . 3_565
O2S Zr2 Zr2 89.7(4) 13 3_565
O2S Zr2 Zr2 89.7(4) . 3_565
O1S Zr2 Zr2 36.3(3) 3_565 3_565
O1S Zr2 Zr2 36.3(3) . 3_565
O31 Zr2 Zr2 162.8(5) . 3_565
O2 Zr2 Zr2 113.0(3) . 3_565
O2 Zr2 Zr2 113.0(3) 13 3_565
O14 Zr2 Zr2 72.6(5) 11_556 3_565
O13 Zr2 Zr2 77.3(4) 9_566 3_565
Zr2 O1S Zr2 107.5(5) 3_565 .
Zr2 O1S Zr1 108.4(5) 3_565 .
Zr2 O1S Zr1 108.4(5) . .
Zr1 O2S Zr2 110.3(5) . .
Zr1 O2S Zr2 110.3(5) . 11
Zr2 O2S Zr2 108.0(6) . 11
C1 O1 Zr1 127.5(8) . .
C1 O2 Zr2 125.8(8) . .
O2 C1 O1 135.5(11) . .
O2 C1 C2 112.8(10) . .
O1 C1 C2 111.6(10) . .
C7 C2 C3 117.6(8) . .
C7 C2 C1 123.2(12) . .
C3 C2 C1 119.2(11) . .
C2 C3 C4 121.7(9) . .
C2 C3 H3A 119.2 . .
C4 C3 H3A 119.2 . .
C3 C4 C5 120.3(7) . .
C3 C4 H4A 119.8 . .
C5 C4 H4A 119.8 . .
C4 C5 C6 118.4(6) . .
C4 C5 C5 120.6(6) . 7
C6 C5 C5 120.7(6) . 7
C7 C6 C5 119.9(7) . .
C7 C6 C8 120.4(7) . .
C5 C6 C8 119.7(6) . .
C2 C7 C6 122.1(9) . .
C2 C7 H7A 118.9 . .
C6 C7 H7A 118.9 . .
C6 C8 H8A 109.5 . .
C6 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C6 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
O14 O11 O12 105(9) 11_556 3_565
O14 O11 O13 45(8) 11_556 9_566
O12 O11 O13 150(4) 3_565 9_566
O14 O11 C11 22(8) 11_556 .
O12 O11 C11 82(3) 3_565 .
O13 O11 C11 68(3) 9_566 .
O14 O11 C22 3(8) 11_556 9_566
O12 O11 C22 101(3) 3_565 9_566
O13 O11 C22 49(3) 9_566 9_566
C11 O11 C22 19.0(5) . 9_566
O14 O11 Zr2 142(9) 11_556 .
O12 O11 Zr2 37(2) 3_565 .
O13 O11 Zr2 173(3) 9_566 .
C11 O11 Zr2 119.7(14) . .
C22 O11 Zr2 138.8(12) 9_566 .
O11 O12 O14 28(3) 3_565 9_566
O11 O12 O13 16.3(18) 3_565 11_556
O14 O12 O13 11(3) 9_566 11_556
O11 O12 C11 81.3(19) 3_565 .
O14 O12 C11 54(3) 9_566 .
O13 O12 C11 65.0(11) 11_556 .
O11 O12 C22 65.9(19) 3_565 9_566
O14 O12 C22 38(3) 9_566 9_566
O13 O12 C22 49.6(12) 11_556 9_566
C11 O12 C22 15.5(4) . 9_566
O11 O12 Zr2 136(3) 3_565 3_565
O14 O12 Zr2 163(4) 9_566 3_565
O13 O12 Zr2 152(2) 11_556 3_565
C11 O12 Zr2 143.0(17) . 3_565
C22 O12 Zr2 158.5(15) 9_566 3_565
O14 O13 O11 31(4) 3_565 9_566
O14 O13 O12 17(3) 3_565 11_556
O11 O13 O12 14(3) 9_566 11_556
O14 O13 C11 62(3) 3_565 9_566
O11 O13 C11 92(4) 9_566 9_566
O12 O13 C11 79(2) 11_556 9_566
O14 O13 C22 86(3) 3_565 .
O11 O13 C22 116(4) 9_566 .
O12 O13 C22 103(2) 11_556 .
C11 O13 C22 23.8(6) 9_566 .
O14 O13 C12 122(3) 3_565 11_556
O11 O13 C12 152(4) 9_566 11_556
O12 O13 C12 139(2) 11_556 11_556
C11 O13 C12 60.0(5) 9_566 11_556
C22 O13 C12 36.2(6) . 11_556
O14 O13 Zr2 37(3) 3_565 9_566
O11 O13 Zr2 6(3) 9_566 9_566
O12 O13 Zr2 19.9(14) 11_556 9_566
C11 O13 Zr2 98.6(13) 9_566 9_566
C22 O13 Zr2 122.4(15) . 9_566
C12 O13 Zr2 158.6(12) 11_556 9_566
O11 O14 O13 104(10) 11_556 3_565
O11 O14 O12 48(7) 11_556 9_566
O13 O14 O12 152(5) 3_565 9_566
O11 O14 C11 153(9) 11_556 9_566
O13 O14 C11 103(2) 3_565 9_566
O12 O14 C11 105(4) 9_566 9_566
O11 O14 C22 176(9) 11_556 .
O13 O14 C22 80(2) 3_565 .
O12 O14 C22 128(4) 9_566 .
C11 O14 C22 23.1(6) 9_566 .
O11 O14 C12 154(9) 11_556 9_566
O13 O14 C12 50(2) 3_565 9_566
O12 O14 C12 158(4) 9_566 9_566
C11 O14 C12 53.0(6) 9_566 9_566
C22 O14 C12 30.0(6) . 9_566
O11 O14 Zr2 34(8) 11_556 11_556
O13 O14 Zr2 138(3) 3_565 11_556
O12 O14 Zr2 13(3) 9_566 11_556
C11 O14 Zr2 118.5(15) 9_566 11_556
C22 O14 Zr2 141.6(17) . 11_556
C12 O14 Zr2 171.6(12) 9_566 11_556
C22 C11 O14 101.1(10) 9_566 11_556
C22 C11 O14 101.1(10) 9_566 9_566
O14 C11 O14 158(2) 11_556 9_566
C22 C11 O13 86.0(10) 9_566 11_556
O14 C11 O13 172.9(15) 11_556 11_556
O14 C11 O13 15.2(14) 9_566 11_556
C22 C11 O13 86.0(10) 9_566 9_566
O14 C11 O13 15.2(14) 11_556 9_566
O14 C11 O13 172.9(15) 9_566 9_566
O13 C11 O13 172(2) 11_556 9_566
C22 C11 O11 105.8(10) 9_566 .
O14 C11 O11 4.7(14) 11_556 .
O14 C11 O11 153.1(14) 9_566 .
O13 C11 O11 168.2(15) 11_556 .
O13 C11 O11 19.8(13) 9_566 .
C22 C11 O11 105.8(10) 9_566 3_565
O14 C11 O11 153.1(14) 11_556 3_565
O14 C11 O11 4.7(14) 9_566 3_565
O13 C11 O11 19.8(13) 11_556 3_565
O13 C11 O11 168.2(15) 9_566 3_565
O11 C11 O11 148(2) . 3_565
C22 C11 O12 122.2(11) 9_566 3_565
O14 C11 O12 21.1(13) 11_556 3_565
O14 C11 O12 136.6(16) 9_566 3_565
O13 C11 O12 151.8(16) 11_556 3_565
O13 C11 O12 36.3(13) 9_566 3_565
O11 C11 O12 16.4(13) . 3_565
O11 C11 O12 132.0(16) 3_565 3_565
C22 C11 O12 122.2(11) 9_566 .
O14 C11 O12 136.6(16) 11_556 .
O14 C11 O12 21.1(13) 9_566 .
O13 C11 O12 36.3(13) 11_556 .
O13 C11 O12 151.8(16) 9_566 .
O11 C11 O12 132.0(16) . .
O11 C11 O12 16.4(13) 3_565 .
O12 C11 O12 116(2) 3_565 .
C22 C11 C12 8.5(3) 9_566 .
O14 C11 C12 109.7(11) 11_556 .
O14 C11 C12 92.6(10) 9_566 .
O13 C11 C12 77.4(10) 11_556 .
O13 C11 C12 94.5(11) 9_566 .
O11 C11 C12 114.3(10) . .
O11 C11 C12 97.3(10) 3_565 .
O12 C11 C12 130.8(12) 3_565 .
O12 C11 C12 113.7(10) . .
C22 C11 C12 8.5(3) 9_566 3_565
O14 C11 C12 92.6(10) 11_556 3_565
O14 C11 C12 109.7(11) 9_566 3_565
O13 C11 C12 94.5(11) 11_556 3_565
O13 C11 C12 77.4(10) 9_566 3_565
O11 C11 C12 97.3(10) . 3_565
O11 C11 C12 114.3(10) 3_565 3_565
O12 C11 C12 113.7(10) 3_565 3_565
O12 C11 C12 130.8(12) . 3_565
C12 C11 C12 17.1(5) . 3_565
C22 C11 C20 6.3(2) 9_566 9_566
O14 C11 C20 107.4(11) 11_556 9_566
O14 C11 C20 94.8(10) 9_566 9_566
O13 C11 C20 79.6(11) 11_556 9_566
O13 C11 C20 92.3(9) 9_566 9_566
O11 C11 C20 112.1(10) . 9_566
O11 C11 C20 99.5(10) 3_565 9_566
O12 C11 C20 128.6(11) 3_565 9_566
O12 C11 C20 115.9(11) . 9_566
C12 C11 C20 2.2(4) . 9_566
C12 C11 C20 14.8(3) 3_565 9_566
C12 C12 C20 89.7(13) 3_565 9_566
C12 C12 C20 48.4(4) 3_565 11_556
C20 C12 C20 41.2(14) 9_566 11_556
C12 C12 C22 77.2(4) 3_565 9_566
C20 C12 C22 166.9(16) 9_566 9_566
C20 C12 C22 125.7(7) 11_556 9_566
C12 C12 C17 126.1(5) 3_565 3_565
C20 C12 C17 36.4(9) 9_566 3_565
C20 C12 C17 77.7(6) 11_556 3_565
C22 C12 C17 156.7(9) 9_566 3_565
C12 C12 C17 38.78(11) 3_565 .
C20 C12 C17 50.9(13) 9_566 .
C20 C12 C17 9.6(3) 11_556 .
C22 C12 C17 116.0(5) 9_566 .
C17 C12 C17 87.3(5) 3_565 .
C12 C12 C13 158.80(10) 3_565 .
C20 C12 C13 69.1(13) 9_566 .
C20 C12 C13 110.4(3) 11_556 .
C22 C12 C13 124.0(5) 9_566 .
C17 C12 C13 32.7(5) 3_565 .
C17 C12 C13 120.01(7) . .
C12 C12 C11 81.5(3) 3_565 .
C20 C12 C11 171.1(15) 9_566 .
C20 C12 C11 129.9(6) 11_556 .
C22 C12 C11 4.24(18) 9_566 .
C17 C12 C11 152.4(8) 3_565 .
C17 C12 C11 120.3(3) . .
C13 C12 C11 119.7(3) . .
C12 C12 C21 114.9(2) 3_565 11_556
C20 C12 C21 25.2(13) 9_566 11_556
C20 C12 C21 66.5(2) 11_556 11_556
C22 C12 C21 167.9(6) 9_566 11_556
C17 C12 C21 11.2(5) 3_565 11_556
C17 C12 C21 76.12(16) . 11_556
C13 C12 C21 43.90(15) . 11_556
C11 C12 C21 163.6(4) . 11_556
C12 C12 C19 142.1(3) 3_565 9_566
C20 C12 C19 52.5(11) 9_566 9_566
C20 C12 C19 93.7(4) 11_556 9_566
C22 C12 C19 140.6(7) 9_566 9_566
C17 C12 C19 16.0(3) 3_565 9_566
C17 C12 C19 103.4(3) . 9_566
C13 C12 C19 16.7(3) . 9_566
C11 C12 C19 136.4(5) . 9_566
C21 C12 C19 27.2(3) 11_556 9_566
C12 C12 O13 124.0(8) 3_565 11_556
C20 C12 O13 146.3(17) 9_566 11_556
C20 C12 O13 172.5(9) 11_556 11_556
C22 C12 O13 46.8(7) 9_566 11_556
C17 C12 O13 109.9(11) 3_565 11_556
C17 C12 O13 162.8(8) . 11_556
C13 C12 O13 77.2(8) . 11_556
C11 C12 O13 42.6(7) . 11_556
C21 C12 O13 121.1(8) 11_556 11_556
C19 C12 O13 93.8(9) 9_566 11_556
C12 C12 C21 51.7(3) 3_565 9_566
C20 C12 C21 38.0(10) 9_566 9_566
C20 C12 C21 3.2(5) 11_556 9_566
C22 C12 C21 128.9(6) 9_566 9_566
C17 C12 C21 74.4(3) 3_565 9_566
C17 C12 C21 12.9(3) . 9_566
C13 C12 C21 107.1(3) . 9_566
C11 C12 C21 133.1(5) . 9_566
C21 C12 C21 63.2(4) 11_556 9_566
C19 C12 C21 90.49(14) 9_566 9_566
O13 C12 C21 175.7(9) 11_556 9_566
C19 C13 C17 60.6(10) 9_566 3_565
C19 C13 C21 36.8(14) 9_566 11_556
C17 C13 C21 23.8(4) 3_565 11_556
C19 C13 C20 89.7(13) 9_566 9_566
C17 C13 C20 29.1(6) 3_565 9_566
C21 C13 C20 52.9(3) 11_556 9_566
C19 C13 C12 110.9(13) 9_566 .
C17 C13 C12 50.3(5) 3_565 .
C21 C13 C12 74.1(2) 11_556 .
C20 C13 C12 21.18(12) 9_566 .
C19 C13 C14 9.1(13) 9_566 .
C17 C13 C14 69.7(5) 3_565 .
C21 C13 C14 45.9(2) 11_556 .
C20 C13 C14 98.81(12) 9_566 .
C12 C13 C14 119.99(7) . .
C19 C13 C20 89.7(13) 9_566 11_556
C17 C13 C20 29.1(6) 3_565 11_556
C21 C13 C20 52.9(3) 11_556 11_556
C20 C13 C20 0.003(19) 9_566 11_556
C12 C13 C20 21.19(11) . 11_556
C14 C13 C20 98.80(11) . 11_556
C19 C13 C12 105.7(14) 9_566 3_565
C17 C13 C12 45.2(7) 3_565 3_565
C21 C13 C12 69.0(3) 11_556 3_565
C20 C13 C12 16.06(12) 9_566 3_565
C12 C13 C12 5.13(13) . 3_565
C14 C13 C12 114.87(14) . 3_565
C20 C13 C12 16.06(11) 11_556 3_565
C19 C13 C18 6.7(10) 9_566 9_566
C17 C13 C18 67.3(4) 3_565 9_566
C21 C13 C18 43.5(4) 11_556 9_566
C20 C13 C18 96.4(4) 9_566 9_566
C12 C13 C18 117.6(4) . 9_566
C14 C13 C18 2.4(4) . 9_566
C20 C13 C18 96.4(4) 11_556 9_566
C12 C13 C18 112.4(4) 3_565 9_566
C19 C13 C16 26.3(10) 9_566 3_565
C17 C13 C16 34.3(4) 3_565 3_565
C21 C13 C16 10.5(4) 11_556 3_565
C20 C13 C16 63.4(3) 9_566 3_565
C12 C13 C16 84.6(3) . 3_565
C14 C13 C16 35.4(3) . 3_565
C20 C13 C16 63.4(3) 11_556 3_565
C12 C13 C16 79.4(4) 3_565 3_565
C18 C13 C16 33.01(9) 9_566 3_565
C19 C13 H13A 149.7 9_566 .
C17 C13 H13A 149.7 3_565 .
C21 C13 H13A 173.5 11_556 .
C20 C13 H13A 120.6 9_566 .
C12 C13 H13A 99.4 . .
C14 C13 H13A 140.6 . .
C20 C13 H13A 120.6 11_556 .
C12 C13 H13A 104.5 3_565 .
C18 C13 H13A 143.0 9_566 .
C16 C13 H13A 176.0 3_565 .
C18 C14 C19 166(2) 9_566 9_566
C18 C14 C21 119.7(13) 9_566 11_556
C19 C14 C21 46.1(7) 9_566 11_556
C18 C14 C16 70.9(12) 9_566 3_565
C19 C14 C16 94.8(9) 9_566 3_565
C21 C14 C16 48.7(3) 11_556 3_565
C18 C14 C18 0.2(8) 9_566 3_565
C19 C14 C18 166.0(13) 9_566 3_565
C21 C14 C18 119.9(5) 11_556 3_565
C16 C14 C18 71.1(4) 3_565 3_565
C18 C14 C17 138.7(17) 9_566 3_565
C19 C14 C17 27.1(4) 9_566 3_565
C21 C14 C17 19.0(4) 11_556 3_565
C16 C14 C17 67.7(6) 3_565 3_565
C18 C14 C17 138.9(9) 3_565 3_565
C18 C14 C15 50.9(13) 9_566 .
C19 C14 C15 114.9(7) 9_566 .
C21 C14 C15 68.80(11) 11_556 .
C16 C14 C15 20.1(2) 3_565 .
C18 C14 C15 51.1(6) 3_565 .
C17 C14 C15 87.8(4) 3_565 .
C18 C14 C13 170.9(13) 9_566 .
C19 C14 C13 5.1(7) 9_566 .
C21 C14 C13 51.19(12) 11_556 .
C16 C14 C13 99.9(2) 3_565 .
C18 C14 C13 171.1(6) 3_565 .
C17 C14 C13 32.2(4) 3_565 .
C15 C14 C13 120.00(7) . .
C18 C14 C14 0.3(13) 9_566 11_556
C19 C14 C14 166.1(7) 9_566 11_556
C21 C14 C14 120.01(8) 11_556 11_556
C16 C14 C14 71.3(3) 3_565 11_556
C18 C14 C14 0.1(5) 3_565 11_556
C17 C14 C14 139.0(4) 3_565 11_556
C15 C14 C14 51.21(11) . 11_556
C13 C14 C14 171.21(11) . 11_556
C18 C14 C16 38.0(10) 9_566 9_566
C19 C14 C16 127.8(10) 9_566 9_566
C21 C14 C16 81.7(3) 11_556 9_566
C16 C14 C16 32.9(2) 3_565 9_566
C18 C14 C16 38.2(2) 3_565 9_566
C17 C14 C16 100.7(7) 3_565 9_566
C15 C14 C16 12.9(3) . 9_566
C13 C14 C16 132.9(3) . 9_566
C14 C14 C16 38.3(3) 11_556 9_566
C18 C14 H14A 69.1 9_566 .
C19 C14 H14A 125.1 9_566 .
C21 C14 H14A 171.2 11_556 .
C16 C14 H14A 140.1 3_565 .
C18 C14 H14A 68.9 3_565 .
C17 C14 H14A 152.2 3_565 .
C15 C14 H14A 120.0 . .
C13 C14 H14A 120.0 . .
C14 C14 H14A 68.8 11_556 .
C16 C14 H14A 107.1 9_566 .
C16 C15 C16 179(3) 3_565 9_566
C16 C15 C18 109.1(16) 3_565 3_565
C16 C15 C18 71.5(12) 9_566 3_565
C16 C15 C18 71.5(12) 3_565 9_566
C16 C15 C18 109.1(16) 9_566 9_566
C18 C15 C18 37.7(6) 3_565 9_566
C16 C15 C15 89.7(13) 3_565 9_566
C16 C15 C15 89.7(13) 9_566 9_566
C18 C15 C15 161.2(3) 3_565 9_566
C18 C15 C15 161.2(3) 9_566 9_566
C16 C15 C14 51.5(13) 3_565 .
C16 C15 C14 129.1(14) 9_566 .
C18 C15 C14 57.6(4) 3_565 .
C18 C15 C14 20.0(2) 9_566 .
C15 C15 C14 141.21(11) 9_566 .
C16 C15 C14 129.1(14) 3_565 11_556
C16 C15 C14 51.5(13) 9_566 11_556
C18 C15 C14 20.0(2) 3_565 11_556
C18 C15 C14 57.6(4) 9_566 11_556
C15 C15 C14 141.21(11) 9_566 11_556
C14 C15 C14 77.6(2) . 11_556
C16 C15 C16 68.5(13) 3_565 .
C16 C15 C16 110.9(14) 9_566 .
C18 C15 C16 177.6(4) 3_565 .
C18 C15 C16 140.0(2) 9_566 .
C15 C15 C16 21.20(10) 9_566 .
C14 C15 C16 120.01(7) . .
C14 C15 C16 162.4(2) 11_556 .
C16 C15 C16 110.9(14) 3_565 11_556
C16 C15 C16 68.5(13) 9_566 11_556
C18 C15 C16 140.0(2) 3_565 11_556
C18 C15 C16 177.6(4) 9_566 11_556
C15 C15 C16 21.20(10) 9_566 11_556
C14 C15 C16 162.4(2) . 11_556
C14 C15 C16 120.01(7) 11_556 11_556
C16 C15 C16 42.4(2) . 11_556
C16 C15 C21 171.5(13) 3_565 .
C16 C15 C21 9.1(13) 9_566 .
C18 C15 C21 62.4(4) 3_565 .
C18 C15 C21 100.0(2) 9_566 .
C15 C15 C21 98.80(11) 9_566 .
C14 C15 C21 120.00(11) . .
C14 C15 C21 42.4(2) 11_556 .
C16 C15 C21 119.99(7) . .
C16 C15 C21 77.6(2) 11_556 .
C16 C15 C21 9.1(13) 3_565 11_556
C16 C15 C21 171.5(13) 9_566 11_556
C18 C15 C21 100.0(2) 3_565 11_556
C18 C15 C21 62.4(4) 9_566 11_556
C15 C15 C21 98.80(11) 9_566 11_556
C14 C15 C21 42.41(19) . 11_556
C14 C15 C21 119.99(11) 11_556 11_556
C16 C15 C21 77.6(2) . 11_556
C16 C15 C21 119.99(7) 11_556 11_556
C21 C15 C21 162.4(2) . 11_556
C16 C15 C17 173.9(17) 3_565 9_566
C16 C15 C17 6.7(10) 9_566 9_566
C18 C15 C17 64.8(3) 3_565 9_566
C18 C15 C17 102.5(6) 9_566 9_566
C15 C15 C17 96.4(3) 9_566 9_566
C14 C15 C17 122.4(4) . 9_566
C14 C15 C17 44.8(4) 11_556 9_566
C16 C15 C17 117.6(4) . 9_566
C16 C15 C17 75.2(4) 11_556 9_566
C21 C15 C17 2.4(3) . 9_566
C21 C15 C17 164.8(4) 11_556 9_566
C15 C16 C21 166(2) 9_566 9_566
C15 C16 C16 0.3(13) 9_566 11_556
C21 C16 C16 166.1(7) 9_566 11_556
C15 C16 C18 82.6(14) 9_566 11_556
C21 C16 C18 83.2(9) 9_566 11_556
C16 C16 C18 82.9(3) 11_556 11_556
C15 C16 C14 108.4(15) 9_566 3_565
C21 C16 C14 57.4(7) 9_566 3_565
C16 C16 C14 108.7(3) 11_556 3_565
C18 C16 C14 25.8(2) 11_556 3_565
C15 C16 C16 90.3(13) 9_566 3_565
C21 C16 C16 103.9(7) 9_566 3_565
C16 C16 C16 90.0 11_556 3_565
C18 C16 C16 172.9(3) 11_556 3_565
C14 C16 C16 161.3(3) 3_565 3_565
C15 C16 C15 69.1(14) 9_566 .
C21 C16 C15 125.1(7) 9_566 .
C16 C16 C15 68.80(10) 11_556 .
C18 C16 C15 151.7(4) 11_556 .
C14 C16 C15 177.5(3) 3_565 .
C16 C16 C15 21.20(10) 3_565 .
C15 C16 C18 50.9(13) 9_566 .
C21 C16 C18 114.9(7) 9_566 .
C16 C16 C18 51.19(11) 11_556 .
C18 C16 C18 31.7(4) 11_556 .
C14 C16 C18 57.5(3) 3_565 .
C16 C16 C18 141.20(11) 3_565 .
C15 C16 C18 120.00(7) . .
C15 C16 C17 170.9(14) 9_566 .
C21 C16 C17 5.1(7) 9_566 .
C16 C16 C17 171.21(11) 11_556 .
C18 C16 C17 88.3(4) 11_556 .
C14 C16 C17 62.5(3) 3_565 .
C16 C16 C17 98.79(11) 3_565 .
C15 C16 C17 119.99(7) . .
C18 C16 C17 120.01(11) . .
C15 C16 C19 144.6(14) 9_566 11_556
C21 C16 C19 21.2(8) 9_566 11_556
C16 C16 C19 144.9(2) 11_556 11_556
C18 C16 C19 61.97(9) 11_556 11_556
C14 C16 C19 36.2(2) 3_565 11_556
C16 C16 C19 125.1(2) 3_565 11_556
C15 C16 C19 146.3(3) . 11_556
C18 C16 C19 93.7(3) . 11_556
C17 C16 C19 26.3(3) . 11_556
C15 C16 C16 52.4(11) 9_566 9_566
C21 C16 C16 141.7(10) 9_566 9_566
C16 C16 C16 52.1(3) 11_556 9_566
C18 C16 C16 135.1(5) 11_556 9_566
C14 C16 C16 160.9(5) 3_565 9_566
C16 C16 C16 37.9(3) 3_565 9_566
C15 C16 C16 16.7(3) . 9_566
C18 C16 C16 103.3(3) . 9_566
C17 C16 C16 136.6(3) . 9_566
C19 C16 C16 162.9(4) 11_556 9_566
C15 C16 C21 120.3(14) 9_566 11_556
C21 C16 C21 73.9(7) 9_566 11_556
C16 C16 C21 120.01(5) 11_556 11_556
C18 C16 C21 157.1(3) 11_556 11_556
C14 C16 C21 131.3(3) 3_565 11_556
C16 C16 C21 30.00(5) 3_565 11_556
C15 C16 C21 51.20(10) . 11_556
C18 C16 C21 171.20(13) . 11_556
C17 C16 C21 68.79(11) . 11_556
C19 C16 C21 95.1(2) 11_556 11_556
C16 C16 C21 67.9(3) 9_566 11_556
C21 C17 C19 78.1(13) 9_566 11_556
C21 C17 C20 120.3(13) 9_566 11_556
C19 C17 C20 161.5(4) 11_556 11_556
C21 C17 C13 118.8(17) 9_566 3_565
C19 C17 C13 40.6(4) 11_556 3_565
C20 C17 C13 120.9(6) 11_556 3_565
C21 C17 C12 144.2(18) 9_566 3_565
C19 C17 C12 137.6(5) 11_556 3_565
C20 C17 C12 23.9(5) 11_556 3_565
C13 C17 C12 97.0(3) 3_565 3_565
C21 C17 C20 109.1(15) 9_566 9_566
C19 C17 C20 172.7(7) 11_556 9_566
C20 C17 C20 11.2(3) 11_556 9_566
C13 C17 C20 132.1(7) 3_565 9_566
C12 C17 C20 35.1(5) 3_565 9_566
C21 C17 C14 40.7(9) 9_566 3_565
C19 C17 C14 37.5(5) 11_556 3_565
C20 C17 C14 161.0(4) 11_556 3_565
C13 C17 C14 78.1(9) 3_565 3_565
C12 C17 C14 175.1(9) 3_565 3_565
C20 C17 C14 149.8(6) 9_566 3_565
C21 C17 C12 129.1(13) 9_566 .
C19 C17 C12 152.7(5) 11_556 .
C20 C17 C12 8.78(13) 11_556 .
C13 C17 C12 112.1(7) 3_565 .
C12 C17 C12 15.1(6) 3_565 .
C20 C17 C12 20.0(2) 9_566 .
C14 C17 C12 169.8(4) 3_565 .
C21 C17 C16 9.1(13) 9_566 .
C19 C17 C16 87.3(5) 11_556 .
C20 C17 C16 111.22(15) 11_556 .
C13 C17 C16 127.9(7) 3_565 .
C12 C17 C16 135.1(6) 3_565 .
C20 C17 C16 100.0(2) 9_566 .
C14 C17 C16 49.8(4) 3_565 .
C12 C17 C16 120.00(7) . .
C21 C17 C17 90.3(13) 9_566 3_565
C19 C17 C17 168.5(4) 11_556 3_565
C20 C17 C17 30.01(10) 11_556 3_565
C13 C17 C17 150.9(6) 3_565 3_565
C12 C17 C17 53.9(5) 3_565 3_565
C20 C17 C17 18.8(3) 9_566 3_565
C14 C17 C17 131.0(4) 3_565 3_565
C12 C17 C17 38.79(11) . 3_565
C16 C17 C17 81.21(11) . 3_565
C21 C17 C18 29.7(13) 9_566 11_556
C19 C17 C18 48.5(4) 11_556 11_556
C20 C17 C18 150.02(12) 11_556 11_556
C13 C17 C18 89.1(6) 3_565 11_556
C12 C17 C18 173.9(5) 3_565 11_556
C20 C17 C18 138.8(3) 9_566 11_556
C14 C17 C18 11.0(4) 3_565 11_556
C12 C17 C18 158.79(12) . 11_556
C16 C17 C18 38.79(10) . 11_556
C17 C17 C18 120.00(5) 3_565 11_556
C21 C17 C21 74.0(13) 9_566 11_556
C19 C17 C21 152.2(5) 11_556 11_556
C20 C17 C21 46.29(14) 11_556 11_556
C13 C17 C21 167.2(7) 3_565 11_556
C12 C17 C21 70.2(6) 3_565 11_556
C20 C17 C21 35.1(2) 9_566 11_556
C14 C17 C21 114.7(4) 3_565 11_556
C12 C17 C21 55.07(6) . 11_556
C16 C17 C21 64.93(6) . 11_556
C17 C17 C21 16.28(12) 3_565 11_556
C18 C17 C21 103.72(13) 11_556 11_556
C21 C17 H17A 110.9 9_566 .
C19 C17 H17A 32.7 11_556 .
C20 C17 H17A 128.8 11_556 .
C13 C17 H17A 7.9 3_565 .
C12 C17 H17A 104.9 3_565 .
C20 C17 H17A 140.0 9_566 .
C14 C17 H17A 70.2 3_565 .
C12 C17 H17A 120.0 . .
C16 C17 H17A 120.0 . .
C17 C17 H17A 158.8 3_565 .
C18 C17 H17A 81.2 11_556 .
C21 C17 H17A 175.1 11_556 .
C14 C18 C18 179.7(13) 9_566 11_556
C14 C18 C16 83.3(14) 9_566 11_556
C18 C18 C16 97.1(3) 11_556 11_556
C14 C18 C15 109.2(15) 9_566 9_566
C18 C18 C15 71.2(3) 11_556 9_566
C16 C18 C15 25.9(2) 11_556 9_566
C14 C18 C14 179.5(19) 9_566 3_565
C18 C18 C14 0.1(5) 11_556 3_565
C16 C18 C14 97.2(6) 11_556 3_565
C15 C18 C14 71.3(4) 9_566 3_565
C14 C18 C21 41.1(9) 9_566 3_565
C18 C18 C21 139.2(4) 11_556 3_565
C16 C18 C21 42.1(5) 11_556 3_565
C15 C18 C21 68.0(6) 9_566 3_565
C14 C18 C21 139.3(9) 3_565 3_565
C14 C18 C16 129.1(13) 9_566 .
C18 C18 C16 51.19(11) 11_556 .
C16 C18 C16 45.9(2) 11_556 .
C15 C18 C16 20.0(2) 9_566 .
C14 C18 C16 51.3(5) 3_565 .
C21 C18 C16 88.0(4) 3_565 .
C14 C18 C19 9.1(13) 9_566 .
C18 C18 C19 171.20(11) 11_556 .
C16 C18 C19 74.1(2) 11_556 .
C15 C18 C19 100.0(2) 9_566 .
C14 C18 C19 171.3(5) 3_565 .
C21 C18 C19 32.0(4) 3_565 .
C16 C18 C19 120.01(7) . .
C14 C18 C17 30.3(13) 9_566 11_556
C18 C18 C17 149.99(5) 11_556 11_556
C16 C18 C17 52.9(3) 11_556 11_556
C15 C18 C17 78.8(3) 9_566 11_556
C14 C18 C17 150.1(5) 3_565 11_556
C21 C18 C17 10.8(4) 3_565 11_556
C16 C18 C17 98.80(11) . 11_556
C19 C18 C17 21.21(11) . 11_556
C14 C18 C13 6.7(10) 9_566 9_566
C18 C18 C13 173.6(3) 11_556 9_566
C16 C18 C13 76.6(4) 11_556 9_566
C15 C18 C13 102.5(6) 9_566 9_566
C14 C18 C13 173.8(9) 3_565 9_566
C21 C18 C13 34.43(11) 3_565 9_566
C16 C18 C13 122.4(3) . 9_566
C19 C18 C13 2.4(3) . 9_566
C17 C18 C13 23.6(3) 11_556 9_566
C14 C18 C21 153.8(16) 9_566 9_566
C18 C18 C21 26.5(3) 11_556 9_566
C16 C18 C21 70.6(3) 11_556 9_566
C15 C18 C21 44.69(14) 9_566 9_566
C14 C18 C21 26.6(3) 3_565 9_566
C21 C18 C21 112.7(7) 3_565 9_566
C16 C18 C21 24.7(3) . 9_566
C19 C18 C21 144.7(3) . 9_566
C17 C18 C21 123.5(4) 11_556 9_566
C13 C18 C21 147.1(7) 9_566 9_566
C14 C18 H18A 112.1 9_566 .
C18 C18 H18A 67.6 11_556 .
C16 C18 H18A 164.7 11_556 .
C15 C18 H18A 138.8 9_566 .
C14 C18 H18A 67.5 3_565 .
C21 C18 H18A 153.2 3_565 .
C16 C18 H18A 118.8 . .
C19 C18 H18A 121.2 . .
C17 C18 H18A 142.4 11_556 .
C13 C18 H18A 118.7 9_566 .
C21 C18 H18A 94.1 9_566 .
C13 C19 C17 78.8(14) 9_566 11_556
C13 C19 C21 119.7(18) 9_566 3_565
C17 C19 C21 40.9(5) 11_556 3_565
C13 C19 C14 166(2) 9_566 9_566
C17 C19 C14 115.4(8) 11_556 9_566
C21 C19 C14 74.6(5) 3_565 9_566
C13 C19 C18 170.9(13) 9_566 .
C17 C19 C18 110.3(3) 11_556 .
C21 C19 C18 69.5(6) 3_565 .
C14 C19 C18 5.1(7) 9_566 .
C13 C19 C20 69.1(13) 9_566 .
C17 C19 C20 9.7(3) 11_556 .
C21 C19 C20 50.5(6) 3_565 .
C14 C19 C20 125.1(7) 9_566 .
C18 C19 C20 120.00(7) . .
C13 C19 C16 145.3(13) 9_566 11_556
C17 C19 C16 66.4(2) 11_556 11_556
C21 C19 C16 25.6(5) 3_565 11_556
C14 C19 C16 49.0(7) 9_566 11_556
C18 C19 C16 43.88(15) . 11_556
C20 C19 C16 76.12(16) . 11_556
C13 C19 C12 52.5(11) 9_566 9_566
C17 C19 C12 26.3(4) 11_556 9_566
C21 C19 C12 67.2(8) 3_565 9_566
C14 C19 C12 141.7(10) 9_566 9_566
C18 C19 C12 136.7(3) . 9_566
C20 C19 C12 16.7(2) . 9_566
C16 C19 C12 92.8(3) 11_556 9_566
C13 C19 C20 74.2(12) 9_566 3_565
C17 C19 C20 4.6(4) 11_556 3_565
C21 C19 C20 45.5(7) 3_565 3_565
C14 C19 C20 120.0(8) 9_566 3_565
C18 C19 C20 114.92(16) . 3_565
C20 C19 C20 5.07(14) . 3_565
C16 C19 C20 71.0(3) 11_556 3_565
C12 C19 C20 21.73(19) 9_566 3_565
C13 C19 C15 153.9(16) 9_566 9_566
C17 C19 C15 75.0(4) 11_556 9_566
C21 C19 C15 34.2(4) 3_565 9_566
C14 C19 C15 40.4(4) 9_566 9_566
C18 C19 C15 35.3(3) . 9_566
C20 C19 C15 84.7(3) . 9_566
C16 C19 C15 8.6(3) 11_556 9_566
C12 C19 C15 101.4(5) 9_566 9_566
C20 C19 C15 79.6(4) 3_565 9_566
C13 C19 C12 60.4(13) 9_566 11_556
C17 C19 C12 18.5(4) 11_556 11_556
C21 C19 C12 59.3(7) 3_565 11_556
C14 C19 C12 133.9(7) 9_566 11_556
C18 C19 C12 128.79(12) . 11_556
C20 C19 C12 8.79(10) . 11_556
C16 C19 C12 84.9(2) 11_556 11_556
C12 C19 C12 7.9(3) 9_566 11_556
C20 C19 C12 13.86(11) 3_565 11_556
C15 C19 C12 93.5(4) 9_566 11_556
C13 C19 H19A 50.8 9_566 .
C17 C19 H19A 129.7 11_556 .
C21 C19 H19A 170.5 3_565 .
C14 C19 H19A 114.9 9_566 .
C18 C19 H19A 120.0 . .
C20 C19 H19A 120.0 . .
C16 C19 H19A 163.9 11_556 .
C12 C19 H19A 103.3 9_566 .
C20 C19 H19A 125.1 3_565 .
C15 C19 H19A 155.3 9_566 .
C12 C19 H19A 111.2 11_556 .
C20 C20 C12 90.3(13) 3_565 9_566
C20 C20 C12 48.4(4) 3_565 11_556
C12 C20 C12 41.9(13) 9_566 11_556
C20 C20 C17 149.98(10) 3_565 11_556
C12 C20 C17 119.7(13) 9_566 11_556
C12 C20 C17 161.6(4) 11_556 11_556
C20 C20 C21 126.3(6) 3_565 3_565
C12 C20 C21 143.3(18) 9_566 3_565
C12 C20 C21 174.8(9) 11_556 3_565
C17 C20 C21 23.6(6) 11_556 3_565
C20 C20 C17 18.8(3) 3_565 9_566
C12 C20 C17 109.2(15) 9_566 9_566
C12 C20 C17 67.3(7) 11_556 9_566
C17 C20 C17 131.2(3) 11_556 9_566
C21 C20 C17 107.5(3) 3_565 9_566
C20 C20 C13 179.99(7) 3_565 9_566
C12 C20 C13 89.7(13) 9_566 9_566
C12 C20 C13 131.6(4) 11_556 9_566
C17 C20 C13 30.00(11) 11_556 9_566
C21 C20 C13 53.7(6) 3_565 9_566
C17 C20 C13 161.2(3) 9_566 9_566
C20 C20 C21 38.80(11) 3_565 .
C12 C20 C21 129.1(13) 9_566 .
C12 C20 C21 87.2(5) 11_556 .
C17 C20 C21 111.18(15) 11_556 .
C21 C20 C21 87.5(5) 3_565 .
C17 C20 C21 20.0(2) 9_566 .
C13 C20 C21 141.18(15) 9_566 .
C20 C20 C19 158.80(10) 3_565 .
C12 C20 C19 110.9(13) 9_566 .
C12 C20 C19 152.8(5) 11_556 .
C17 C20 C19 8.81(13) 11_556 .
C21 C20 C19 32.5(5) 3_565 .
C17 C20 C19 140.0(2) 9_566 .
C13 C20 C19 21.19(13) 9_566 .
C21 C20 C19 119.99(7) . .
C20 C20 C22 81.6(3) 3_565 .
C12 C20 C22 8.8(11) 9_566 .
C12 C20 C22 33.1(3) 11_556 .
C17 C20 C22 128.5(3) 11_556 .
C21 C20 C22 152.1(8) 3_565 .
C17 C20 C22 100.4(6) 9_566 .
C13 C20 C22 98.4(3) 9_566 .
C21 C20 C22 120.4(4) . .
C19 C20 C22 119.6(3) . .
C20 C20 C13 0.01(5) 3_565 11_556
C12 C20 C13 90.3(13) 9_566 11_556
C12 C20 C13 48.4(4) 11_556 11_556
C17 C20 C13 149.98(12) 11_556 11_556
C21 C20 C13 126.3(6) 3_565 11_556
C17 C20 C13 18.8(3) 9_566 11_556
C13 C20 C13 179.98(13) 9_566 11_556
C21 C20 C13 38.80(10) . 11_556
C19 C20 C13 158.79(12) . 11_556
C22 C20 C13 81.6(3) . 11_556
C20 C20 C16 103.72(12) 3_565 11_556
C12 C20 C16 165.9(13) 9_566 11_556
C12 C20 C16 152.2(5) 11_556 11_556
C17 C20 C16 46.26(14) 11_556 11_556
C21 C20 C16 22.6(5) 3_565 11_556
C17 C20 C16 84.9(2) 9_566 11_556
C13 C20 C16 76.27(15) 9_566 11_556
C21 C20 C16 64.92(5) . 11_556
C19 C20 C16 55.08(6) . 11_556
C22 C20 C16 174.7(4) . 11_556
C13 C20 C16 103.72(13) 11_556 11_556
C17 C21 C19 61.0(10) 9_566 3_565
C17 C21 C16 166(2) 9_566 9_566
C19 C21 C16 133.2(13) 3_565 9_566
C17 C21 C14 120.3(13) 9_566 11_556
C19 C21 C14 59.3(7) 3_565 11_556
C16 C21 C14 73.9(7) 9_566 11_556
C17 C21 C20 36.0(8) 9_566 3_565
C19 C21 C20 97.0(3) 3_565 3_565
C16 C21 C20 129.8(13) 9_566 3_565
C14 C21 C20 156.3(6) 11_556 3_565
C17 C21 C13 37.4(13) 9_566 11_556
C19 C21 C13 23.6(5) 3_565 11_556
C16 C21 C13 156.8(9) 9_566 11_556
C14 C21 C13 82.9(3) 11_556 11_556
C20 C21 C13 73.4(5) 3_565 11_556
C17 C21 C18 139.5(17) 9_566 3_565
C19 C21 C18 78.5(10) 3_565 3_565
C16 C21 C18 54.7(4) 9_566 3_565
C14 C21 C18 19.2(4) 11_556 3_565
C20 C21 C18 175.5(9) 3_565 3_565
C13 C21 C18 102.1(5) 11_556 3_565
C17 C21 C20 50.9(13) 9_566 .
C19 C21 C20 111.9(8) 3_565 .
C16 C21 C20 114.9(7) 9_566 .
C14 C21 C20 171.20(13) 11_556 .
C20 C21 C20 14.9(6) 3_565 .
C13 C21 C20 88.3(4) 11_556 .
C18 C21 C20 169.6(4) 3_565 .
C17 C21 C15 170.9(13) 9_566 .
C19 C21 C15 128.1(8) 3_565 .
C16 C21 C15 5.1(7) 9_566 .
C14 C21 C15 68.79(12) 11_556 .
C20 C21 C15 134.9(6) 3_565 .
C13 C21 C15 151.7(4) 11_556 .
C18 C21 C15 49.6(4) 3_565 .
C20 C21 C15 120.01(7) . .
C17 C21 C12 24.6(13) 9_566 11_556
C19 C21 C12 85.6(5) 3_565 11_556
C16 C21 C12 141.2(8) 9_566 11_556
C14 C21 C12 144.9(3) 11_556 11_556
C20 C21 C12 11.4(5) 3_565 11_556
C13 C21 C12 62.00(10) 11_556 11_556
C18 C21 C12 164.1(5) 3_565 11_556
C20 C21 C12 26.3(3) . 11_556
C15 C21 C12 146.3(3) . 11_556
C17 C21 C21 89.7(13) 9_566 3_565
C19 C21 C21 150.7(7) 3_565 3_565
C16 C21 C21 76.1(7) 9_566 3_565
C14 C21 C21 149.99(8) 11_556 3_565
C20 C21 C21 53.7(6) 3_565 3_565
C13 C21 C21 127.1(3) 11_556 3_565
C18 C21 C21 130.8(4) 3_565 3_565
C20 C21 C21 38.80(11) . 3_565
C15 C21 C21 81.21(11) . 3_565
C12 C21 C21 65.1(2) 11_556 3_565
C17 C21 C16 119.7(13) 9_566 11_556
C19 C21 C16 179.3(7) 3_565 11_556
C16 C21 C16 46.1(7) 9_566 11_556
C14 C21 C16 119.99(10) 11_556 11_556
C20 C21 C16 83.7(6) 3_565 11_556
C13 C21 C16 157.1(3) 11_556 11_556
C18 C21 C16 100.8(4) 3_565 11_556
C20 C21 C16 68.81(11) . 11_556
C15 C21 C16 51.20(11) . 11_556
C12 C21 C16 95.1(2) 11_556 11_556
C21 C21 C16 30.00(5) 3_565 11_556
C17 C21 H21A 69.1 9_566 .
C19 C21 H21A 8.1 3_565 .
C16 C21 H21A 125.1 9_566 .
C14 C21 H21A 51.2 11_556 .
C20 C21 H21A 105.1 3_565 .
C13 C21 H21A 31.7 11_556 .
C18 C21 H21A 70.4 3_565 .
C20 C21 H21A 120.0 . .
C15 C21 H21A 120.0 . .
C12 C21 H21A 93.7 11_556 .
C21 C21 H21A 158.8 3_565 .
C16 C21 H21A 171.2 11_556 .
C11 C22 C12 167.2(4) 9_566 9_566
C11 C22 C12 167.2(4) 9_566 11_556
C12 C22 C12 25.5(8) 9_566 11_556
C11 C22 O13 70.3(12) 9_566 .
C12 C22 O13 122.5(13) 9_566 .
C12 C22 O13 97.0(11) 11_556 .
C11 C22 O13 70.3(12) 9_566 3_565
C12 C22 O13 97.0(11) 9_566 3_565
C12 C22 O13 122.5(13) 11_556 3_565
O13 C22 O13 141(2) . 3_565
C11 C22 O14 55.8(11) 9_566 .
C12 C22 O14 111.4(12) 9_566 .
C12 C22 O14 137.0(13) 11_556 .
O13 C22 O14 126.1(18) . .
O13 C22 O14 14.5(15) 3_565 .
C11 C22 O14 55.8(11) 9_566 3_565
C12 C22 O14 137.0(13) 9_566 3_565
C12 C22 O14 111.4(12) 11_556 3_565
O13 C22 O14 14.5(15) . 3_565
O13 C22 O14 126.1(18) 3_565 3_565
O14 C22 O14 112(2) . 3_565
C11 C22 O11 55.2(8) 9_566 9_566
C12 C22 O11 137.6(9) 9_566 9_566
C12 C22 O11 112.0(10) 11_556 9_566
O13 C22 O11 15.1(14) . 9_566
O13 C22 O11 125.5(15) 3_565 9_566
O14 C22 O11 111.0(15) . 9_566
O14 C22 O11 0.6(14) 3_565 9_566
C11 C22 O11 55.2(8) 9_566 11_556
C12 C22 O11 112.0(10) 9_566 11_556
C12 C22 O11 137.6(9) 11_556 11_556
O13 C22 O11 125.5(15) . 11_556
O13 C22 O11 15.1(14) 3_565 11_556
O14 C22 O11 0.6(14) . 11_556
O14 C22 O11 111.0(15) 3_565 11_556
O11 C22 O11 110.4(17) 9_566 11_556
C11 C22 C20 171.6(3) 9_566 .
C12 C22 C20 4.3(5) 9_566 .
C12 C22 C20 21.2(4) 11_556 .
O13 C22 C20 118.2(11) . .
O13 C22 C20 101.3(12) 3_565 .
O14 C22 C20 115.8(11) . .
O14 C22 C20 132.6(12) 3_565 .
O11 C22 C20 133.2(9) 9_566 .
O11 C22 C20 116.4(9) 11_556 .
C11 C22 C20 171.6(3) 9_566 3_565
C12 C22 C20 21.2(4) 9_566 3_565
C12 C22 C20 4.3(5) 11_556 3_565
O13 C22 C20 101.3(12) . 3_565
O13 C22 C20 118.2(11) 3_565 3_565
O14 C22 C20 132.6(12) . 3_565
O14 C22 C20 115.8(11) 3_565 3_565
O11 C22 C20 116.4(9) 9_566 3_565
O11 C22 C20 133.2(9) 11_556 3_565
C20 C22 C20 16.9(6) . 3_565
C11 C22 O12 42.3(8) 9_566 11_556
C12 C22 O12 150.5(10) 9_566 11_556
C12 C22 O12 124.9(8) 11_556 11_556
O13 C22 O12 27.9(13) . 11_556
O13 C22 O12 112.6(15) 3_565 11_556
O14 C22 O12 98.1(15) . 11_556
O14 C22 O12 13.5(13) 3_565 11_556
O11 C22 O12 12.9(11) 9_566 11_556
O11 C22 O12 97.5(12) 11_556 11_556
C20 C22 O12 146.1(9) . 11_556
C20 C22 O12 129.2(9) 3_565 11_556
C31 O31 Zr2 135.8(15) . .
O31 C31 O31 123(2) 11 .
O31 C31 C32 117.4(10) 11 .
O31 C31 C32 117.4(10) . .
O31 C31 C32 117.4(10) 11 13
O31 C31 C32 117.4(10) . 13
C32 C31 C32 32.1(9) . 13
C32 C32 C33 101.0(8) 13 .
C32 C32 C33 101.0(8) 13 11
C33 C32 C33 119.77(19) . 11
C32 C32 C31 74.0(5) 13 .
C33 C32 C31 119.91(9) . .
C33 C32 C31 119.91(9) 11 .
C32 C32 C33 51.1(7) 13 6
C33 C32 C33 122.9(7) . 6
C33 C32 C33 49.9(13) 11 6
C31 C32 C33 100.4(7) . 6
C32 C32 C33 51.1(7) 13 13
C33 C32 C33 49.9(13) . 13
C33 C32 C33 122.9(7) 11 13
C31 C32 C33 100.4(7) . 13
C33 C32 C33 86.7(9) 6 13
C33 C33 C32 79.0(8) 13 .
C33 C33 C34 106.0(5) 13 .
C32 C33 C34 119.95(12) . .
C33 C33 C32 51.1(7) 13 13
C32 C33 C32 27.8(7) . 13
C34 C33 C32 121.8(4) . 13
C33 C33 H33A 82.8 13 .
C32 C33 H33A 120.0 . .
C34 C33 H33A 119.9 . .
C32 C33 H33A 109.7 13 .
C34B C35 C34 119.84(14) 11 .
C34B C35 C34 0.003(2) 11 11
C34 C35 C34 119.84(14) . 11
C34B C35 C36 120.07(6) 11 .
C34 C35 C36 120.07(6) . .
C34 C35 C36 120.07(6) 11 .
C37 C36 C35 180.0(3) . .
C36 C37 C37 168.5(14) . 5
C33 C34 C35 119.85(10) . .
C33 C34 C38 120.0(4) . .
C35 C34 C38 120.0(4) . .
C34 C38 H38A 109.5 . .
C34 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C34 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zr1 O2S 2.134(13) 5_565
Zr1 O2S 2.134(13) .
Zr1 O1S 2.182(13) .
Zr1 O1S 2.182(13) 11
Zr1 O1 2.247(8) 14_565
Zr1 O1 2.247(8) 11
Zr1 O1 2.247(8) 5_565
Zr1 O1 2.247(8) .
Zr1 Zr2 3.5225(17) 11
Zr1 Zr2 3.5225(17) 9_565
Zr1 Zr2 3.5225(17) 3_565
Zr1 Zr2 3.5225(17) .
Zr2 O12 1.860(10) 3_565
Zr2 O11 2.136(15) .
Zr2 O2S 2.157(8) 13
Zr2 O2S 2.157(8) .
Zr2 O1S 2.160(7) 3_565
Zr2 O1S 2.160(7) .
Zr2 O31 2.235(19) .
Zr2 O2 2.245(9) .
Zr2 O2 2.245(9) 13
Zr2 O14 2.320(10) 11_556
Zr2 O13 2.566(17) 9_566
Zr2 Zr2 3.483(3) 3_565
O1S Zr2 2.160(7) 3_565
O2S Zr2 2.158(8) 11
O1 C1 1.286(5) .
O2 C1 1.284(5) .
C1 C2 1.513(9) .
C2 C7 1.385(9) .
C2 C3 1.377(9) .
C3 C4 1.384(8) .
C3 H3A 0.9500 .
C4 C5 1.396(8) .
C4 H4A 0.9500 .
C5 C6 1.395(8) .
C5 C5 1.512(9) 7
C6 C7 1.381(8) .
C6 C8 1.513(9) .
C7 H7A 0.9500 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
O11 O14 0.228(13) 11_556
O11 O12 0.36(3) 3_565
O11 O13 0.43(3) 9_566
O11 C11 1.275(10) .
O11 C22 1.494(10) 9_566
O12 O11 0.36(3) 3_565
O12 O14 0.48(2) 9_566
O12 O13 0.77(3) 11_556
O12 C11 1.278(10) .
O12 C22 1.606(11) 9_566
O12 Zr2 1.860(10) 3_565
O13 O14 0.32(3) 3_565
O13 O11 0.43(3) 9_566
O13 O12 0.77(3) 11_556
O13 C11 1.181(16) 9_566
O13 C22 1.252(9) .
O13 C12 1.704(12) 11_556
O13 Zr2 2.566(17) 9_566
O14 O11 0.228(13) 11_556
O14 O13 0.32(3) 3_565
O14 O12 0.48(2) 9_566
O14 C11 1.068(17) 9_566
O14 C22 1.267(10) .
O14 C12 1.891(10) 9_566
O14 Zr2 2.320(10) 11_556
C11 C22 0.506(13) 9_566
C11 O14 1.068(17) 11_556
C11 O14 1.068(17) 9_566
C11 O13 1.181(16) 11_556
C11 O13 1.181(16) 9_566
C11 O11 1.275(10) 3_565
C11 O12 1.278(10) 3_565
C11 C12 1.512(8) .
C11 C12 1.512(8) 3_565
C11 C20 2.010(8) 9_566
C12 C12 0.448(13) 3_565
C12 C20 0.502(3) 9_566
C12 C20 0.672(7) 11_556
C12 C22 1.015(10) 9_566
C12 C17 1.078(8) 3_565
C12 C17 1.3901(8) .
C12 C13 1.3902(8) .
C12 C21 1.514(3) 11_556
C12 C19 1.638(9) 9_566
C12 O13 1.704(12) 11_556
C12 C21 1.751(7) 9_566
C13 C19 0.503(3) 9_566
C13 C17 0.757(10) 3_565
C13 C21 1.092(3) 11_556
C13 C20 1.299(11) 9_566
C13 C14 1.3903(9) .
C13 C20 1.742(7) 11_556
C13 C12 1.816(13) 3_565
C13 C18 1.888(3) 9_566
C13 C16 1.949(6) 3_565
C13 H13A 0.9500 .
C14 C18 0.502(3) 9_566
C14 C19 0.898(4) 9_566
C14 C21 1.006(4) 11_556
C14 C16 1.147(11) 3_565
C14 C18 1.239(6) 3_565
C14 C17 1.332(9) 3_565
C14 C15 1.3901(8) .
C14 C14 1.742(4) 11_556
C14 C16 1.751(8) 9_566
C14 H14A 0.9600 .
C15 C16 0.503(2) 3_565
C15 C16 0.503(2) 9_566
C15 C18 1.142(11) 3_565
C15 C18 1.142(11) 9_566
C15 C15 1.299(12) 9_566
C15 C14 1.3901(8) 11_556
C15 C16 1.3902(7) .
C15 C16 1.3903(7) 11_556
C15 C21 1.3903(9) .
C15 C21 1.3903(9) 11_556
C15 C17 1.888(3) 9_566
C16 C15 0.503(2) 9_566
C16 C21 0.897(4) 9_566
C16 C16 1.005(5) 11_556
C16 C18 1.092(2) 11_556
C16 C14 1.147(11) 3_565
C16 C16 1.294(12) 3_565
C16 C18 1.3902(8) .
C16 C17 1.3902(9) .
C16 C19 1.515(3) 11_556
C16 C16 1.638(10) 9_566
C16 C21 1.742(4) 11_556
C17 C21 0.503(3) 9_566
C17 C19 0.672(7) 11_556
C17 C20 0.737(8) 11_556
C17 C13 0.757(10) 3_565
C17 C12 1.078(8) 3_565
C17 C20 1.142(11) 9_566
C17 C14 1.332(9) 3_565
C17 C17 1.718(12) 3_565
C17 C18 1.741(7) 11_556
C17 C21 1.793(5) 11_556
C17 H17A 0.9600 .
C18 C14 0.502(3) 9_566
C18 C18 0.737(8) 11_556
C18 C16 1.092(2) 11_556
C18 C15 1.142(11) 9_566
C18 C14 1.239(6) 3_565
C18 C21 1.328(10) 3_565
C18 C19 1.3902(9) .
C18 C17 1.741(7) 11_556
C18 C13 1.888(3) 9_566
C18 C21 1.947(5) 9_566
C18 H18A 0.9679 .
C19 C13 0.503(3) 9_566
C19 C17 0.672(7) 11_556
C19 C21 0.752(11) 3_565
C19 C14 0.898(4) 9_566
C19 C20 1.3903(8) .
C19 C16 1.515(3) 11_556
C19 C12 1.638(9) 9_566
C19 C20 1.810(14) 3_565
C19 C15 1.947(5) 9_566
C19 C12 2.011(9) 11_556
C19 H19A 0.9601 .
C20 C20 0.443(15) 3_565
C20 C12 0.502(3) 9_566
C20 C12 0.671(7) 11_556
C20 C17 0.737(8) 11_556
C20 C21 1.081(9) 3_565
C20 C17 1.142(11) 9_566
C20 C13 1.299(11) 9_566
C20 C21 1.3901(8) .
C20 C22 1.508(10) .
C20 C13 1.742(7) 11_556
C20 C16 1.794(5) 11_556
C21 C17 0.503(3) 9_566
C21 C19 0.752(11) 3_565
C21 C16 0.897(4) 9_566
C21 C14 1.006(4) 11_556
C21 C20 1.081(9) 3_565
C21 C13 1.092(3) 11_556
C21 C18 1.328(10) 3_565
C21 C12 1.514(3) 11_556
C21 C21 1.724(13) 3_565
C21 C16 1.742(4) 11_556
C21 H21A 0.9602 .
C22 C11 0.506(13) 9_566
C22 C12 1.015(10) 9_566
C22 C12 1.015(10) 11_556
C22 O13 1.252(9) 3_565
C22 O14 1.267(10) 3_565
C22 O11 1.494(10) 9_566
C22 O11 1.494(10) 11_556
C22 C20 1.508(10) 3_565
C22 O12 1.606(11) 11_556
O31 C31 1.24(2) .
C31 O31 1.24(2) 11
C31 C32 1.509(10) .
C31 C32 1.509(10) 13
C32 C32 0.83(2) 13
C32 C33 1.3904(10) .
C32 C33 1.3904(10) 11
C32 C33 1.753(15) 6
C32 C33 1.753(15) 13
C33 C33 1.37(4) 13
C33 C34 1.3907(9) .
C33 C32 1.753(15) 13
C33 H33A 0.9601 .
C35 C34B 1.3911(9) 11
C35 C34 1.3911(9) .
C35 C34 1.3911(9) 11
C35 C36 1.506(7) .
C36 C37 1.199(5) .
C37 C37 1.42(4) 5
C34 C38 1.505(10) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
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
O12 Zr2 O1S Zr2 -79.1(7) 3_565 3_565
O11 Zr2 O1S Zr2 -83.4(6) . 3_565
O2S Zr2 O1S Zr2 57.4(7) 13 3_565
O2S Zr2 O1S Zr2 118.1(7) . 3_565
O1S Zr2 O1S Zr2 -2.8(8) 3_565 3_565
O31 Zr2 O1S Zr2 152.0(8) . 3_565
O2 Zr2 O1S Zr2 -161.3(7) . 3_565
O2 Zr2 O1S Zr2 -40.6(11) 13 3_565
O14 Zr2 O1S Zr2 -81.3(6) 11_556 3_565
O13 Zr2 O1S Zr2 -84.2(6) 9_566 3_565
O12 Zr2 O1S Zr1 163.9(7) 3_565 .
O11 Zr2 O1S Zr1 159.5(6) . .
O2S Zr2 O1S Zr1 -59.6(6) 13 .
O2S Zr2 O1S Zr1 1.1(5) . .
O1S Zr2 O1S Zr1 -119.8(3) 3_565 .
O31 Zr2 O1S Zr1 35.0(12) . .
O2 Zr2 O1S Zr1 81.7(5) . .
O2 Zr2 O1S Zr1 -157.6(5) 13 .
O14 Zr2 O1S Zr1 161.7(6) 11_556 .
O13 Zr2 O1S Zr1 158.8(5) 9_566 .
Zr2 Zr2 O1S Zr1 -117.0(9) 3_565 .
O2S Zr1 O1S Zr2 1.1(5) 5_565 3_565
O2S Zr1 O1S Zr2 -117.5(7) . 3_565
O1S Zr1 O1S Zr2 -58.2(4) 11 3_565
O1 Zr1 O1S Zr2 81.6(5) 14_565 3_565
O1 Zr1 O1S Zr2 -153.1(4) 11 3_565
O1 Zr1 O1S Zr2 36.7(10) 5_565 3_565
O1 Zr1 O1S Zr2 162.0(6) . 3_565
Zr2 Zr1 O1S Zr2 -87.8(4) 11 3_565
Zr2 Zr1 O1S Zr2 -28.6(4) 9_565 3_565
Zr2 Zr1 O1S Zr2 -116.4(9) . 3_565
O2S Zr1 O1S Zr2 117.5(7) 5_565 .
O2S Zr1 O1S Zr2 -1.1(5) . .
O1S Zr1 O1S Zr2 58.2(4) 11 .
O1 Zr1 O1S Zr2 -162.0(6) 14_565 .
O1 Zr1 O1S Zr2 -36.7(10) 11 .
O1 Zr1 O1S Zr2 153.1(4) 5_565 .
O1 Zr1 O1S Zr2 -81.6(5) . .
Zr2 Zr1 O1S Zr2 28.6(4) 11 .
Zr2 Zr1 O1S Zr2 87.8(4) 9_565 .
Zr2 Zr1 O1S Zr2 116.4(9) 3_565 .
O2S Zr1 O2S Zr2 -59.7(5) 5_565 .
O1S Zr1 O2S Zr2 1.1(5) . .
O1S Zr1 O2S Zr2 -120.4(7) 11 .
O1 Zr1 O2S Zr2 32.7(12) 14_565 .
O1 Zr1 O2S Zr2 159.0(6) 11 .
O1 Zr1 O2S Zr2 -152.1(4) 5_565 .
O1 Zr1 O2S Zr2 81.7(5) . .
Zr2 Zr1 O2S Zr2 -119.3(10) 11 .
Zr2 Zr1 O2S Zr2 -89.4(5) 9_565 .
Zr2 Zr1 O2S Zr2 -29.9(5) 3_565 .
O2S Zr1 O2S Zr2 59.7(5) 5_565 11
O1S Zr1 O2S Zr2 120.4(7) . 11
O1S Zr1 O2S Zr2 -1.1(5) 11 11
O1 Zr1 O2S Zr2 152.1(4) 14_565 11
O1 Zr1 O2S Zr2 -81.7(5) 11 11
O1 Zr1 O2S Zr2 -32.7(12) 5_565 11
O1 Zr1 O2S Zr2 -159.0(6) . 11
Zr2 Zr1 O2S Zr2 29.9(5) 9_565 11
Zr2 Zr1 O2S Zr2 89.4(5) 3_565 11
Zr2 Zr1 O2S Zr2 119.3(10) . 11
O12 Zr2 O2S Zr1 -26.5(13) 3_565 .
O11 Zr2 O2S Zr1 -36.5(12) . .
O2S Zr2 O2S Zr1 120.1(4) 13 .
O1S Zr2 O2S Zr1 60.2(6) 3_565 .
O1S Zr2 O2S Zr1 -1.1(5) . .
O31 Zr2 O2S Zr1 -160.0(7) . .
O2 Zr2 O2S Zr1 -83.3(6) . .
O2 Zr2 O2S Zr1 158.8(5) 13 .
O14 Zr2 O2S Zr1 -31.3(13) 11_556 .
O13 Zr2 O2S Zr1 -38.4(12) 9_566 .
Zr2 Zr2 O2S Zr1 30.3(5) 3_565 .
O12 Zr2 O2S Zr2 -147.2(9) 3_565 11
O11 Zr2 O2S Zr2 -157.1(7) . 11
O2S Zr2 O2S Zr2 -0.6(9) 13 11
O1S Zr2 O2S Zr2 -60.5(7) 3_565 11
O1S Zr2 O2S Zr2 -121.8(7) . 11
O31 Zr2 O2S Zr2 79.3(6) . 11
O2 Zr2 O2S Zr2 156.0(7) . 11
O2 Zr2 O2S Zr2 38.1(11) 13 11
O14 Zr2 O2S Zr2 -152.0(8) 11_556 11
O13 Zr2 O2S Zr2 -159.1(6) 9_566 11
Zr2 Zr2 O2S Zr2 -90.4(6) 3_565 11
O2S Zr1 O1 C1 72.8(15) 5_565 .
O2S Zr1 O1 C1 -30.5(12) . .
O1S Zr1 O1 C1 42.3(12) . .
O1S Zr1 O1 C1 -64.8(15) 11 .
O1 Zr1 O1 C1 121.5(12) 14_565 .
O1 Zr1 O1 C1 -110.2(12) 11 .
O1 Zr1 O1 C1 -175.1(13) 5_565 .
Zr2 Zr1 O1 C1 -43.1(13) 11 .
Zr2 Zr1 O1 C1 2.3(18) 9_565 .
Zr2 Zr1 O1 C1 53.4(13) 3_565 .
Zr2 Zr1 O1 C1 5.6(12) . .
O12 Zr2 O2 C1 -113.8(14) 3_565 .
O11 Zr2 O2 C1 -120.0(14) . .
O2S Zr2 O2 C1 69.7(16) 13 .
O2S Zr2 O2 C1 32.2(13) . .
O1S Zr2 O2 C1 -76.8(16) 3_565 .
O1S Zr2 O2 C1 -40.2(13) . .
O31 Zr2 O2 C1 111.4(14) . .
O2 Zr2 O2 C1 174.2(11) 13 .
O14 Zr2 O2 C1 -116.9(14) 11_556 .
O13 Zr2 O2 C1 -121.1(14) 9_566 .
Zr2 Zr2 O2 C1 -52.1(14) 3_565 .
Zr2 O2 C1 O1 11(3) . .
Zr2 O2 C1 C2 -173.4(6) . .
Zr1 O1 C1 O2 -12(3) . .
Zr1 O1 C1 C2 171.7(5) . .
O2 C1 C2 C7 172.2(13) . .
O1 C1 C2 C7 -10.9(12) . .
O2 C1 C2 C3 -7.7(13) . .
O1 C1 C2 C3 169.2(12) . .
C7 C2 C3 C4 0.2(4) . .
C1 C2 C3 C4 -179.9(3) . .
C2 C3 C4 C5 -0.2(6) . .
C3 C4 C5 C6 0.1(8) . .
C3 C4 C5 C5 -173.4(9) . 7
C4 C5 C6 C7 0.1(8) . .
C5 C5 C6 C7 173.6(9) 7 .
C4 C5 C6 C8 179.7(5) . .
C5 C5 C6 C8 -6.8(11) 7 .
C3 C2 C7 C6 0.0(6) . .
C1 C2 C7 C6 -179.9(4) . .
C5 C6 C7 C2 -0.1(8) . .
C8 C6 C7 C2 -179.7(4) . .
O12 Zr2 O11 O14 0.00(3) 3_565 11_556
O2S Zr2 O11 O14 -71.2(9) 13 11_556
O2S Zr2 O11 O14 71.2(9) . 11_556
O1S Zr2 O11 O14 -37.3(3) 3_565 11_556
O1S Zr2 O11 O14 37.3(3) . 11_556
O31 Zr2 O11 O14 180.00(3) . 11_556
O2 Zr2 O11 O14 118.5(3) . 11_556
O2 Zr2 O11 O14 -118.5(3) 13 11_556
O13 Zr2 O11 O14 180.00(11) 9_566 11_556
Zr2 Zr2 O11 O14 0.00(3) 3_565 11_556
O2S Zr2 O11 O12 -71.2(9) 13 3_565
O2S Zr2 O11 O12 71.2(9) . 3_565
O1S Zr2 O11 O12 -37.3(3) 3_565 3_565
O1S Zr2 O11 O12 37.3(3) . 3_565
O31 Zr2 O11 O12 180.00(2) . 3_565
O2 Zr2 O11 O12 118.5(3) . 3_565
O2 Zr2 O11 O12 -118.5(3) 13 3_565
O14 Zr2 O11 O12 0.00(4) 11_556 3_565
O13 Zr2 O11 O12 180.00(10) 9_566 3_565
Zr2 Zr2 O11 O12 0.00(2) 3_565 3_565
O12 Zr2 O11 O13 180.00(10) 3_565 9_566
O2S Zr2 O11 O13 108.8(9) 13 9_566
O2S Zr2 O11 O13 -108.8(9) . 9_566
O1S Zr2 O11 O13 142.7(3) 3_565 9_566
O1S Zr2 O11 O13 -142.7(3) . 9_566
O31 Zr2 O11 O13 0.00(9) . 9_566
O2 Zr2 O11 O13 -61.5(3) . 9_566
O2 Zr2 O11 O13 61.5(3) 13 9_566
O14 Zr2 O11 O13 180.00(10) 11_556 9_566
Zr2 Zr2 O11 O13 180.00(9) 3_565 9_566
O12 Zr2 O11 C11 0.000(17) 3_565 .
O2S Zr2 O11 C11 -71.2(9) 13 .
O2S Zr2 O11 C11 71.2(9) . .
O1S Zr2 O11 C11 -37.3(3) 3_565 .
O1S Zr2 O11 C11 37.3(3) . .
O31 Zr2 O11 C11 180.000(1) . .
O2 Zr2 O11 C11 118.5(3) . .
O2 Zr2 O11 C11 -118.5(3) 13 .
O14 Zr2 O11 C11 0.00(3) 11_556 .
O13 Zr2 O11 C11 180.00(10) 9_566 .
Zr2 Zr2 O11 C11 0.000(1) 3_565 .
O12 Zr2 O11 C22 0.000(15) 3_565 9_566
O2S Zr2 O11 C22 -71.2(9) 13 9_566
O2S Zr2 O11 C22 71.2(9) . 9_566
O1S Zr2 O11 C22 -37.3(3) 3_565 9_566
O1S Zr2 O11 C22 37.3(3) . 9_566
O31 Zr2 O11 C22 180.000(2) . 9_566
O2 Zr2 O11 C22 118.5(3) . 9_566
O2 Zr2 O11 C22 -118.5(3) 13 9_566
O14 Zr2 O11 C22 0.00(3) 11_556 9_566
O13 Zr2 O11 C22 180.00(10) 9_566 9_566
Zr2 Zr2 O11 C22 0.000(2) 3_565 9_566
O14 O11 C11 C22 0.00(5) 11_556 9_566
O12 O11 C11 C22 180.000(12) 3_565 9_566
O13 O11 C11 C22 0.000(12) 9_566 9_566
Zr2 O11 C11 C22 180.000(4) . 9_566
O12 O11 C11 O14 180.00(6) 3_565 11_556
O13 O11 C11 O14 0.00(6) 9_566 11_556
C22 O11 C11 O14 0.00(6) 9_566 11_556
Zr2 O11 C11 O14 180.00(6) . 11_556
O14 O11 C11 O14 180.00(6) 11_556 9_566
O12 O11 C11 O14 0.000(18) 3_565 9_566
O13 O11 C11 O14 180.000(17) 9_566 9_566
C22 O11 C11 O14 180.000(14) 9_566 9_566
Zr2 O11 C11 O14 0.000(11) . 9_566
O14 O11 C11 O13 180.00(6) 11_556 11_556
O12 O11 C11 O13 0.000(18) 3_565 11_556
O13 O11 C11 O13 180.000(17) 9_566 11_556
C22 O11 C11 O13 180.000(15) 9_566 11_556
Zr2 O11 C11 O13 0.000(13) . 11_556
O14 O11 C11 O13 0.00(5) 11_556 9_566
O12 O11 C11 O13 180.000(18) 3_565 9_566
C22 O11 C11 O13 0.000(15) 9_566 9_566
Zr2 O11 C11 O13 180.000(13) . 9_566
O14 O11 C11 O11 180.00(5) 11_556 3_565
O12 O11 C11 O11 0.000(5) 3_565 3_565
O13 O11 C11 O11 180.000(10) 9_566 3_565
C22 O11 C11 O11 180.000(5) 9_566 3_565
Zr2 O11 C11 O11 0.000(9) . 3_565
O14 O11 C11 O12 180.00(5) 11_556 3_565
O13 O11 C11 O12 180.000(17) 9_566 3_565
C22 O11 C11 O12 180.000(14) 9_566 3_565
Zr2 O11 C11 O12 0.000(12) . 3_565
O14 O11 C11 O12 180.00(5) 11_556 .
O12 O11 C11 O12 0.000(12) 3_565 .
O13 O11 C11 O12 180.000(13) 9_566 .
C22 O11 C11 O12 180.000(10) 9_566 .
Zr2 O11 C11 O12 0.000(2) . .
O14 O11 C11 C12 0.00(5) 11_556 .
O12 O11 C11 C12 180.000(12) 3_565 .
O13 O11 C11 C12 0.000(11) 9_566 .
C22 O11 C11 C12 0.000(6) 9_566 .
Zr2 O11 C11 C12 180.000(1) . .
O14 O11 C11 C12 0.00(5) 11_556 3_565
O12 O11 C11 C12 180.000(12) 3_565 3_565
O13 O11 C11 C12 0.000(11) 9_566 3_565
C22 O11 C11 C12 0.000(6) 9_566 3_565
Zr2 O11 C11 C12 180.000(1) . 3_565
O14 O11 C11 C20 0.00(5) 11_556 9_566
O12 O11 C11 C20 180.000(12) 3_565 9_566
O13 O11 C11 C20 0.000(11) 9_566 9_566
C22 O11 C11 C20 0.000(6) 9_566 9_566
Zr2 O11 C11 C20 180.000(1) . 9_566
O11 O12 C11 C22 0.000(15) 3_565 9_566
O14 O12 C11 C22 0.000(14) 9_566 9_566
O13 O12 C11 C22 0.000(9) 11_556 9_566
Zr2 O12 C11 C22 180.000(6) 3_565 9_566
O11 O12 C11 O14 180.000(15) 3_565 11_556
O14 O12 C11 O14 180.000(14) 9_566 11_556
O13 O12 C11 O14 180.000(9) 11_556 11_556
C22 O12 C11 O14 180.000(15) 9_566 11_556
Zr2 O12 C11 O14 0.000(6) 3_565 11_556
O11 O12 C11 O14 0.00(2) 3_565 9_566
O13 O12 C11 O14 0.000(16) 11_556 9_566
C22 O12 C11 O14 0.000(19) 9_566 9_566
Zr2 O12 C11 O14 180.000(15) 3_565 9_566
O11 O12 C11 O13 0.000(16) 3_565 11_556
O14 O12 C11 O13 0.000(15) 9_566 11_556
C22 O12 C11 O13 0.000(14) 9_566 11_556
Zr2 O12 C11 O13 180.000(10) 3_565 11_556
O11 O12 C11 O13 180.000(16) 3_565 9_566
O14 O12 C11 O13 180.000(15) 9_566 9_566
O13 O12 C11 O13 180.000(10) 11_556 9_566
C22 O12 C11 O13 180.000(16) 9_566 9_566
Zr2 O12 C11 O13 0.000(8) 3_565 9_566
O11 O12 C11 O11 180.000(15) 3_565 .
O14 O12 C11 O11 180.000(15) 9_566 .
O13 O12 C11 O11 180.000(9) 11_556 .
C22 O12 C11 O11 180.000(14) 9_566 .
Zr2 O12 C11 O11 0.000(6) 3_565 .
O14 O12 C11 O11 0.00(2) 9_566 3_565
O13 O12 C11 O11 0.000(17) 11_556 3_565
C22 O12 C11 O11 0.00(2) 9_566 3_565
Zr2 O12 C11 O11 180.000(17) 3_565 3_565
O11 O12 C11 O12 180.000(14) 3_565 3_565
O14 O12 C11 O12 180.000(13) 9_566 3_565
O13 O12 C11 O12 180.000(8) 11_556 3_565
C22 O12 C11 O12 180.000(14) 9_566 3_565
Zr2 O12 C11 O12 0.000(4) 3_565 3_565
O11 O12 C11 C12 0.000(14) 3_565 .
O14 O12 C11 C12 0.000(13) 9_566 .
O13 O12 C11 C12 0.000(7) 11_556 .
C22 O12 C11 C12 0.000(11) 9_566 .
Zr2 O12 C11 C12 180.000(4) 3_565 .
O11 O12 C11 C12 0.000(14) 3_565 3_565
O14 O12 C11 C12 0.000(13) 9_566 3_565
O13 O12 C11 C12 0.000(7) 11_556 3_565
C22 O12 C11 C12 0.000(11) 9_566 3_565
Zr2 O12 C11 C12 180.000(5) 3_565 3_565
O11 O12 C11 C20 0.000(15) 3_565 9_566
O14 O12 C11 C20 0.000(13) 9_566 9_566
O13 O12 C11 C20 0.000(8) 11_556 9_566
C22 O12 C11 C20 0.000(11) 9_566 9_566
Zr2 O12 C11 C20 180.000(5) 3_565 9_566
C22 C11 C12 C12 0.00(2) 9_566 3_565
O14 C11 C12 C12 0.000(3) 11_556 3_565
O14 C11 C12 C12 180.000(3) 9_566 3_565
O13 C11 C12 C12 180.000(3) 11_556 3_565
O13 C11 C12 C12 0.000(2) 9_566 3_565
O11 C11 C12 C12 0.000(3) . 3_565
O11 C11 C12 C12 180.000(3) 3_565 3_565
O12 C11 C12 C12 0.000(3) 3_565 3_565
O12 C11 C12 C12 180.000(2) . 3_565
C20 C11 C12 C12 0.00(3) 9_566 3_565
C22 C11 C12 C20 0.00(2) 9_566 9_566
O14 C11 C12 C20 0.000(12) 11_556 9_566
O14 C11 C12 C20 180.000(13) 9_566 9_566
O13 C11 C12 C20 180.000(12) 11_556 9_566
O13 C11 C12 C20 0.000(12) 9_566 9_566
O11 C11 C12 C20 0.000(12) . 9_566
O11 C11 C12 C20 180.000(12) 3_565 9_566
O12 C11 C12 C20 0.000(11) 3_565 9_566
O12 C11 C12 C20 180.000(13) . 9_566
C12 C11 C12 C20 0.000(13) 3_565 9_566
C22 C11 C12 C20 0.00(2) 9_566 11_556
O14 C11 C12 C20 0.000(3) 11_556 11_556
O14 C11 C12 C20 180.000(2) 9_566 11_556
O13 C11 C12 C20 180.000(2) 11_556 11_556
O13 C11 C12 C20 0.000(3) 9_566 11_556
O11 C11 C12 C20 0.000(3) . 11_556
O11 C11 C12 C20 180.000(2) 3_565 11_556
O12 C11 C12 C20 0.000(3) 3_565 11_556
O12 C11 C12 C20 180.000(2) . 11_556
C12 C11 C12 C20 0.000(4) 3_565 11_556
C20 C11 C12 C20 0.00(3) 9_566 11_556
O14 C11 C12 C22 0.00(3) 11_556 9_566
O14 C11 C12 C22 180.00(3) 9_566 9_566
O13 C11 C12 C22 180.00(3) 11_556 9_566
O13 C11 C12 C22 0.00(3) 9_566 9_566
O11 C11 C12 C22 0.00(3) . 9_566
O11 C11 C12 C22 180.00(3) 3_565 9_566
O12 C11 C12 C22 0.00(3) 3_565 9_566
O12 C11 C12 C22 180.00(3) . 9_566
C12 C11 C12 C22 0.00(3) 3_565 9_566
C20 C11 C12 C22 0.00(5) 9_566 9_566
C22 C11 C12 C17 180.00(2) 9_566 3_565
O14 C11 C12 C17 180.000(2) 11_556 3_565
O14 C11 C12 C17 0.000(2) 9_566 3_565
O13 C11 C12 C17 0.000(2) 11_556 3_565
O13 C11 C12 C17 180.000(2) 9_566 3_565
O11 C11 C12 C17 180.000(2) . 3_565
O11 C11 C12 C17 0.000(2) 3_565 3_565
O12 C11 C12 C17 180.000(2) 3_565 3_565
O12 C11 C12 C17 0.000(2) . 3_565
C12 C11 C12 C17 180.000(5) 3_565 3_565
C20 C11 C12 C17 180.00(3) 9_566 3_565
C22 C11 C12 C17 0.00(2) 9_566 .
O14 C11 C12 C17 0.000(2) 11_556 .
O14 C11 C12 C17 180.000(2) 9_566 .
O13 C11 C12 C17 180.000(1) 11_556 .
O13 C11 C12 C17 0.000(1) 9_566 .
O11 C11 C12 C17 0.000(1) . .
O11 C11 C12 C17 180.000(1) 3_565 .
O12 C11 C12 C17 0.000(1) 3_565 .
O12 C11 C12 C17 180.000(1) . .
C12 C11 C12 C17 0.000(4) 3_565 .
C20 C11 C12 C17 0.00(3) 9_566 .
C22 C11 C12 C13 180.00(2) 9_566 .
O14 C11 C12 C13 180.000(1) 11_556 .
O14 C11 C12 C13 0.000(2) 9_566 .
O13 C11 C12 C13 0.000(2) 11_556 .
O13 C11 C12 C13 180.000(1) 9_566 .
O11 C11 C12 C13 180.000(1) . .
O11 C11 C12 C13 0.000(2) 3_565 .
O12 C11 C12 C13 180.000(2) 3_565 .
O12 C11 C12 C13 0.000(1) . .
C12 C11 C12 C13 180.000(5) 3_565 .
C20 C11 C12 C13 180.00(3) 9_566 .
C22 C11 C12 C21 180.00(2) 9_566 11_556
O14 C11 C12 C21 180.000(4) 11_556 11_556
O14 C11 C12 C21 0.000(4) 9_566 11_556
O13 C11 C12 C21 0.000(4) 11_556 11_556
O13 C11 C12 C21 180.000(4) 9_566 11_556
O11 C11 C12 C21 180.000(4) . 11_556
O11 C11 C12 C21 0.000(4) 3_565 11_556
O12 C11 C12 C21 180.000(4) 3_565 11_556
O12 C11 C12 C21 0.000(4) . 11_556
C12 C11 C12 C21 180.000(8) 3_565 11_556
C20 C11 C12 C21 180.00(3) 9_566 11_556
C22 C11 C12 C19 180.00(2) 9_566 9_566
O14 C11 C12 C19 180.000(1) 11_556 9_566
O14 C11 C12 C19 0.000(2) 9_566 9_566
O13 C11 C12 C19 0.000(2) 11_556 9_566
O13 C11 C12 C19 180.000(1) 9_566 9_566
O11 C11 C12 C19 180.000(1) . 9_566
O11 C11 C12 C19 0.000(2) 3_565 9_566
O12 C11 C12 C19 180.000(1) 3_565 9_566
O12 C11 C12 C19 0.000(2) . 9_566
C12 C11 C12 C19 180.000(4) 3_565 9_566
C20 C11 C12 C19 180.00(3) 9_566 9_566
C22 C11 C12 O13 180.00(2) 9_566 11_556
O14 C11 C12 O13 180.000(5) 11_556 11_556
O14 C11 C12 O13 0.000(5) 9_566 11_556
O13 C11 C12 O13 180.000(5) 9_566 11_556
O11 C11 C12 O13 180.000(5) . 11_556
O11 C11 C12 O13 0.000(5) 3_565 11_556
O12 C11 C12 O13 180.000(5) 3_565 11_556
O12 C11 C12 O13 0.000(5) . 11_556
C12 C11 C12 O13 180.000(6) 3_565 11_556
C20 C11 C12 O13 180.00(3) 9_566 11_556
C22 C11 C12 C21 0.00(2) 9_566 9_566
O14 C11 C12 C21 0.000(2) 11_556 9_566
O14 C11 C12 C21 180.000(2) 9_566 9_566
O13 C11 C12 C21 180.000(1) 11_556 9_566
O13 C11 C12 C21 0.000(2) 9_566 9_566
O11 C11 C12 C21 0.000(1) . 9_566
O11 C11 C12 C21 180.000(2) 3_565 9_566
O12 C11 C12 C21 0.000(2) 3_565 9_566
O12 C11 C12 C21 180.000(2) . 9_566
C12 C11 C12 C21 0.000(4) 3_565 9_566
C20 C11 C12 C21 0.00(3) 9_566 9_566
C12 C12 C13 C19 0.000(6) 3_565 9_566
C20 C12 C13 C19 0.000(4) 9_566 9_566
C20 C12 C13 C19 0.0 11_556 9_566
C22 C12 C13 C19 180.000(3) 9_566 9_566
C17 C12 C13 C19 0.000(2) 3_565 9_566
C17 C12 C13 C19 0.000(1) . 9_566
C11 C12 C13 C19 180.000(3) . 9_566
C21 C12 C13 C19 0.000(1) 11_556 9_566
O13 C12 C13 C19 180.000(2) 11_556 9_566
C21 C12 C13 C19 0.000(1) 9_566 9_566
C12 C12 C13 C17 0.000(9) 3_565 3_565
C20 C12 C13 C17 0.000(3) 9_566 3_565
C20 C12 C13 C17 0.000(1) 11_556 3_565
C22 C12 C13 C17 180.000(2) 9_566 3_565
C17 C12 C13 C17 0.000(1) . 3_565
C11 C12 C13 C17 180.000(2) . 3_565
C21 C12 C13 C17 0.000(2) 11_556 3_565
C19 C12 C13 C17 0.000(3) 9_566 3_565
O13 C12 C13 C17 180.000(2) 11_556 3_565
C21 C12 C13 C17 0.000(1) 9_566 3_565
C12 C12 C13 C21 0.000(8) 3_565 11_556
C20 C12 C13 C21 0.000(2) 9_566 11_556
C20 C12 C13 C21 0.000(2) 11_556 11_556
C22 C12 C13 C21 180.0 9_566 11_556
C17 C12 C13 C21 0.000(4) 3_565 11_556
C17 C12 C13 C21 0.000(2) . 11_556
C11 C12 C13 C21 180.000(1) . 11_556
C19 C12 C13 C21 0.000(1) 9_566 11_556
O13 C12 C13 C21 180.0 11_556 11_556
C21 C12 C13 C21 0.000(1) 9_566 11_556
C12 C12 C13 C20 0.000(8) 3_565 9_566
C20 C12 C13 C20 0.000(3) 11_556 9_566
C22 C12 C13 C20 180.000(5) 9_566 9_566
C17 C12 C13 C20 0.000(3) 3_565 9_566
C17 C12 C13 C20 0.000(2) . 9_566
C11 C12 C13 C20 180.000(4) . 9_566
C21 C12 C13 C20 0.000(4) 11_556 9_566
C19 C12 C13 C20 0.000(4) 9_566 9_566
O13 C12 C13 C20 180.000(2) 11_556 9_566
C21 C12 C13 C20 0.000(2) 9_566 9_566
C12 C12 C13 C14 0.000(4) 3_565 .
C20 C12 C13 C14 0.000(2) 9_566 .
C20 C12 C13 C14 0.000(3) 11_556 .
C22 C12 C13 C14 180.0 9_566 .
C17 C12 C13 C14 0.000(2) 3_565 .
C17 C12 C13 C14 0.0 . .
C11 C12 C13 C14 180.0 . .
C21 C12 C13 C14 0.000(2) 11_556 .
C19 C12 C13 C14 0.000(2) 9_566 .
O13 C12 C13 C14 180.0 11_556 .
C21 C12 C13 C14 0.0 9_566 .
C12 C12 C13 C20 0.000(7) 3_565 11_556
C20 C12 C13 C20 0.000(2) 9_566 11_556
C22 C12 C13 C20 180.000(4) 9_566 11_556
C17 C12 C13 C20 0.000(2) 3_565 11_556
C17 C12 C13 C20 0.000(3) . 11_556
C11 C12 C13 C20 180.000(4) . 11_556
C21 C12 C13 C20 0.000(3) 11_556 11_556
C19 C12 C13 C20 0.000(2) 9_566 11_556
O13 C12 C13 C20 180.000(2) 11_556 11_556
C21 C12 C13 C20 0.000(3) 9_566 11_556
C20 C12 C13 C12 0.000(4) 9_566 3_565
C20 C12 C13 C12 0.000(4) 11_556 3_565
C22 C12 C13 C12 180.000(4) 9_566 3_565
C17 C12 C13 C12 0.000(5) 3_565 3_565
C17 C12 C13 C12 0.000(4) . 3_565
C11 C12 C13 C12 180.000(4) . 3_565
C21 C12 C13 C12 0.000(5) 11_556 3_565
C19 C12 C13 C12 0.000(7) 9_566 3_565
O13 C12 C13 C12 180.000(4) 11_556 3_565
C21 C12 C13 C12 0.000(4) 9_566 3_565
C12 C12 C13 C18 0.000(4) 3_565 9_566
C20 C12 C13 C18 0.000(3) 9_566 9_566
C20 C12 C13 C18 0.000(2) 11_556 9_566
C22 C12 C13 C18 180.000(1) 9_566 9_566
C17 C12 C13 C18 0.000(3) 3_565 9_566
C17 C12 C13 C18 0.000(1) . 9_566
C11 C12 C13 C18 180.000(1) . 9_566
C21 C12 C13 C18 0.000(2) 11_556 9_566
C19 C12 C13 C18 0.000(2) 9_566 9_566
O13 C12 C13 C18 180.000(2) 11_556 9_566
C21 C12 C13 C18 0.0 9_566 9_566
C12 C12 C13 C16 0.000(5) 3_565 3_565
C20 C12 C13 C16 0.000(3) 9_566 3_565
C20 C12 C13 C16 0.0 11_556 3_565
C22 C12 C13 C16 180.000(1) 9_566 3_565
C17 C12 C13 C16 0.0 3_565 3_565
C17 C12 C13 C16 0.0 . 3_565
C11 C12 C13 C16 180.0 . 3_565
C21 C12 C13 C16 0.0 11_556 3_565
C19 C12 C13 C16 0.000(2) 9_566 3_565
O13 C12 C13 C16 180.000(1) 11_556 3_565
C21 C12 C13 C16 0.0 9_566 3_565
C19 C13 C14 C18 0.00(3) 9_566 9_566
C17 C13 C14 C18 0.000(14) 3_565 9_566
C21 C13 C14 C18 0.000(16) 11_556 9_566
C20 C13 C14 C18 0.000(12) 9_566 9_566
C12 C13 C14 C18 0.000(15) . 9_566
C20 C13 C14 C18 0.000(13) 11_556 9_566
C12 C13 C14 C18 0.000(12) 3_565 9_566
C16 C13 C14 C18 0.000(14) 3_565 9_566
C17 C13 C14 C19 0.00(2) 3_565 9_566
C21 C13 C14 C19 0.00(2) 11_556 9_566
C20 C13 C14 C19 0.00(2) 9_566 9_566
C12 C13 C14 C19 0.00(2) . 9_566
C20 C13 C14 C19 0.00(2) 11_556 9_566
C12 C13 C14 C19 0.00(2) 3_565 9_566
C18 C13 C14 C19 0.00(3) 9_566 9_566
C16 C13 C14 C19 0.00(2) 3_565 9_566
C19 C13 C14 C21 0.000(17) 9_566 11_556
C17 C13 C14 C21 0.000(1) 3_565 11_556
C20 C13 C14 C21 0.000(1) 9_566 11_556
C12 C13 C14 C21 0.0 . 11_556
C20 C13 C14 C21 0.0 11_556 11_556
C12 C13 C14 C21 0.000(2) 3_565 11_556
C18 C13 C14 C21 0.000(11) 9_566 11_556
C16 C13 C14 C21 0.000(1) 3_565 11_556
C19 C13 C14 C16 0.000(18) 9_566 3_565
C17 C13 C14 C16 0.000(2) 3_565 3_565
C21 C13 C14 C16 0.000(2) 11_556 3_565
C20 C13 C14 C16 0.0 9_566 3_565
C12 C13 C14 C16 0.000(2) . 3_565
C20 C13 C14 C16 0.000(2) 11_556 3_565
C12 C13 C14 C16 0.0 3_565 3_565
C18 C13 C14 C16 0.000(12) 9_566 3_565
C19 C13 C14 C18 0.000(19) 9_566 3_565
C17 C13 C14 C18 0.000(6) 3_565 3_565
C21 C13 C14 C18 0.000(7) 11_556 3_565
C20 C13 C14 C18 0.000(6) 9_566 3_565
C12 C13 C14 C18 0.000(6) . 3_565
C20 C13 C14 C18 0.000(6) 11_556 3_565
C12 C13 C14 C18 0.000(10) 3_565 3_565
C18 C13 C14 C18 0.000(16) 9_566 3_565
C16 C13 C14 C18 0.000(7) 3_565 3_565
C19 C13 C14 C17 0.00(2) 9_566 3_565
C21 C13 C14 C17 0.000(1) 11_556 3_565
C20 C13 C14 C17 0.0 9_566 3_565
C12 C13 C14 C17 0.000(2) . 3_565
C20 C13 C14 C17 0.000(1) 11_556 3_565
C12 C13 C14 C17 0.000(2) 3_565 3_565
C18 C13 C14 C17 0.000(13) 9_566 3_565
C16 C13 C14 C17 0.000(3) 3_565 3_565
C19 C13 C14 C15 0.000(16) 9_566 .
C17 C13 C14 C15 0.0 3_565 .
C21 C13 C14 C15 0.0 11_556 .
C20 C13 C14 C15 0.000(2) 9_566 .
C12 C13 C14 C15 0.0 . .
C20 C13 C14 C15 0.0 11_556 .
C12 C13 C14 C15 0.000(2) 3_565 .
C18 C13 C14 C15 0.000(11) 9_566 .
C16 C13 C14 C15 0.000(2) 3_565 .
C19 C13 C14 C14 0.000(9) 9_566 11_556
C17 C13 C14 C14 0.000(7) 3_565 11_556
C21 C13 C14 C14 0.000(7) 11_556 11_556
C20 C13 C14 C14 0.000(10) 9_566 11_556
C12 C13 C14 C14 0.000(9) . 11_556
C20 C13 C14 C14 0.000(8) 11_556 11_556
C12 C13 C14 C14 0.000(10) 3_565 11_556
C18 C13 C14 C14 0.000(10) 9_566 11_556
C16 C13 C14 C14 0.000(9) 3_565 11_556
C19 C13 C14 C16 0.000(18) 9_566 9_566
C17 C13 C14 C16 0.000(3) 3_565 9_566
C21 C13 C14 C16 0.000(2) 11_556 9_566
C20 C13 C14 C16 0.0 9_566 9_566
C12 C13 C14 C16 0.0 . 9_566
C20 C13 C14 C16 0.0 11_556 9_566
C12 C13 C14 C16 0.000(1) 3_565 9_566
C18 C13 C14 C16 0.000(11) 9_566 9_566
C16 C13 C14 C16 0.0 3_565 9_566
C18 C14 C15 C16 180.000(6) 9_566 3_565
C19 C14 C15 C16 0.000(4) 9_566 3_565
C21 C14 C15 C16 0.000(5) 11_556 3_565
C18 C14 C15 C16 180.000(4) 3_565 3_565
C17 C14 C15 C16 0.000(4) 3_565 3_565
C13 C14 C15 C16 0.000(2) . 3_565
C14 C14 C15 C16 180.000(4) 11_556 3_565
C16 C14 C15 C16 180.000(3) 9_566 3_565
C18 C14 C15 C16 0.000(5) 9_566 9_566
C19 C14 C15 C16 180.000(3) 9_566 9_566
C21 C14 C15 C16 180.000(3) 11_556 9_566
C16 C14 C15 C16 180.000(3) 3_565 9_566
C18 C14 C15 C16 0.000(4) 3_565 9_566
C17 C14 C15 C16 180.000(2) 3_565 9_566
C13 C14 C15 C16 180.000(3) . 9_566
C14 C14 C15 C16 0.000(4) 11_556 9_566
C18 C14 C15 C18 0.000(3) 9_566 3_565
C19 C14 C15 C18 180.000(2) 9_566 3_565
C21 C14 C15 C18 180.0 11_556 3_565
C16 C14 C15 C18 180.000(3) 3_565 3_565
C17 C14 C15 C18 180.000(2) 3_565 3_565
C13 C14 C15 C18 180.000(2) . 3_565
C14 C14 C15 C18 0.000(1) 11_556 3_565
C16 C14 C15 C18 0.000(3) 9_566 3_565
C19 C14 C15 C18 180.000(6) 9_566 9_566
C21 C14 C15 C18 180.000(6) 11_556 9_566
C16 C14 C15 C18 180.000(6) 3_565 9_566
C18 C14 C15 C18 0.000(7) 3_565 9_566
C17 C14 C15 C18 180.000(6) 3_565 9_566
C13 C14 C15 C18 180.000(6) . 9_566
C14 C14 C15 C18 0.000(7) 11_556 9_566
C16 C14 C15 C18 0.000(8) 9_566 9_566
C18 C14 C15 C15 180.000(5) 9_566 9_566
C19 C14 C15 C15 0.000(4) 9_566 9_566
C21 C14 C15 C15 0.000(3) 11_556 9_566
C16 C14 C15 C15 0.000(5) 3_565 9_566
C18 C14 C15 C15 180.000(4) 3_565 9_566
C17 C14 C15 C15 0.000(3) 3_565 9_566
C13 C14 C15 C15 0.000(2) . 9_566
C14 C14 C15 C15 180.000(3) 11_556 9_566
C16 C14 C15 C15 180.000(4) 9_566 9_566
C18 C14 C15 C14 0.000(4) 9_566 11_556
C19 C14 C15 C14 180.000(1) 9_566 11_556
C21 C14 C15 C14 180.000(1) 11_556 11_556
C16 C14 C15 C14 180.000(4) 3_565 11_556
C18 C14 C15 C14 0.000(3) 3_565 11_556
C17 C14 C15 C14 180.000(1) 3_565 11_556
C13 C14 C15 C14 180.0 . 11_556
C16 C14 C15 C14 0.000(3) 9_566 11_556
C18 C14 C15 C16 180.000(3) 9_566 .
C19 C14 C15 C16 0.000(2) 9_566 .
C21 C14 C15 C16 0.0 11_556 .
C16 C14 C15 C16 0.000(3) 3_565 .
C18 C14 C15 C16 180.000(2) 3_565 .
C17 C14 C15 C16 0.0 3_565 .
C13 C14 C15 C16 0.0 . .
C14 C14 C15 C16 180.000(1) 11_556 .
C16 C14 C15 C16 180.000(2) 9_566 .
C18 C14 C15 C16 180.000(3) 9_566 11_556
C19 C14 C15 C16 0.000(4) 9_566 11_556
C21 C14 C15 C16 0.000(4) 11_556 11_556
C16 C14 C15 C16 0.000(1) 3_565 11_556
C18 C14 C15 C16 180.000(4) 3_565 11_556
C17 C14 C15 C16 0.000(4) 3_565 11_556
C13 C14 C15 C16 0.000(6) . 11_556
C14 C14 C15 C16 180.000(5) 11_556 11_556
C16 C14 C15 C16 180.000(4) 9_566 11_556
C18 C14 C15 C21 0.000(4) 9_566 .
C19 C14 C15 C21 180.000(1) 9_566 .
C21 C14 C15 C21 180.000(1) 11_556 .
C16 C14 C15 C21 180.000(2) 3_565 .
C18 C14 C15 C21 0.000(2) 3_565 .
C17 C14 C15 C21 180.0 3_565 .
C13 C14 C15 C21 180.0 . .
C14 C14 C15 C21 0.000(2) 11_556 .
C16 C14 C15 C21 0.000(3) 9_566 .
C18 C14 C15 C21 180.000(3) 9_566 11_556
C19 C14 C15 C21 0.000(1) 9_566 11_556
C16 C14 C15 C21 0.000(4) 3_565 11_556
C18 C14 C15 C21 180.000(1) 3_565 11_556
C17 C14 C15 C21 0.000(2) 3_565 11_556
C13 C14 C15 C21 0.000(1) . 11_556
C14 C14 C15 C21 180.000(1) 11_556 11_556
C16 C14 C15 C21 180.000(2) 9_566 11_556
C18 C14 C15 C17 0.000(2) 9_566 9_566
C19 C14 C15 C17 180.000(2) 9_566 9_566
C21 C14 C15 C17 180.0 11_556 9_566
C16 C14 C15 C17 180.000(2) 3_565 9_566
C18 C14 C15 C17 0.0 3_565 9_566
C17 C14 C15 C17 180.000(2) 3_565 9_566
C13 C14 C15 C17 180.000(1) . 9_566
C14 C14 C15 C17 0.0 11_556 9_566
C16 C14 C15 C17 0.000(2) 9_566 9_566
C16 C15 C16 C15 180.000(4) 3_565 9_566
C16 C15 C16 C15 0.000(4) 9_566 9_566
C18 C15 C16 C15 180.00(4) 3_565 9_566
C18 C15 C16 C15 180.000(5) 9_566 9_566
C14 C15 C16 C15 180.000(4) . 9_566
C14 C15 C16 C15 0.000(6) 11_556 9_566
C16 C15 C16 C15 0.000(2) 11_556 9_566
C21 C15 C16 C15 0.000(1) . 9_566
C21 C15 C16 C15 180.000(3) 11_556 9_566
C17 C15 C16 C15 0.000(1) 9_566 9_566
C16 C15 C16 C21 0.000(3) 3_565 9_566
C16 C15 C16 C21 180.0 9_566 9_566
C18 C15 C16 C21 0.00(4) 3_565 9_566
C18 C15 C16 C21 0.000(1) 9_566 9_566
C15 C15 C16 C21 180.000(6) 9_566 9_566
C14 C15 C16 C21 0.000(1) . 9_566
C14 C15 C16 C21 180.000(3) 11_556 9_566
C16 C15 C16 C21 180.000(4) 11_556 9_566
C21 C15 C16 C21 180.000(2) . 9_566
C21 C15 C16 C21 0.000(2) 11_556 9_566
C17 C15 C16 C21 180.000(2) 9_566 9_566
C16 C15 C16 C16 180.000(1) 3_565 11_556
C16 C15 C16 C16 0.000(1) 9_566 11_556
C18 C15 C16 C16 180.00(4) 3_565 11_556
C18 C15 C16 C16 180.000(2) 9_566 11_556
C15 C15 C16 C16 0.000(2) 9_566 11_556
C14 C15 C16 C16 180.0 . 11_556
C14 C15 C16 C16 0.000(4) 11_556 11_556
C21 C15 C16 C16 0.000(2) . 11_556
C21 C15 C16 C16 180.0 11_556 11_556
C17 C15 C16 C16 0.000(2) 9_566 11_556
C16 C15 C16 C18 180.000(2) 3_565 11_556
C16 C15 C16 C18 0.000(2) 9_566 11_556
C18 C15 C16 C18 180.00(4) 3_565 11_556
C18 C15 C16 C18 180.000(2) 9_566 11_556
C15 C15 C16 C18 0.000(2) 9_566 11_556
C14 C15 C16 C18 180.000(2) . 11_556
C14 C15 C16 C18 0.000(5) 11_556 11_556
C16 C15 C16 C18 0.000(3) 11_556 11_556
C21 C15 C16 C18 0.000(2) . 11_556
C21 C15 C16 C18 180.000(1) 11_556 11_556
C17 C15 C16 C18 0.000(2) 9_566 11_556
C16 C15 C16 C14 180.000(9) 3_565 3_565
C16 C15 C16 C14 0.000(9) 9_566 3_565
C18 C15 C16 C14 180.00(4) 3_565 3_565
C18 C15 C16 C14 180.000(9) 9_566 3_565
C15 C15 C16 C14 0.000(9) 9_566 3_565
C14 C15 C16 C14 180.000(9) . 3_565
C14 C15 C16 C14 0.000(10) 11_556 3_565
C16 C15 C16 C14 0.000(10) 11_556 3_565
C21 C15 C16 C14 0.000(10) . 3_565
C21 C15 C16 C14 180.000(9) 11_556 3_565
C17 C15 C16 C14 0.000(10) 9_566 3_565
C16 C15 C16 C16 180.000(3) 9_566 3_565
C18 C15 C16 C16 0.00(4) 3_565 3_565
C18 C15 C16 C16 0.000(5) 9_566 3_565
C15 C15 C16 C16 180.000(4) 9_566 3_565
C14 C15 C16 C16 0.000(4) . 3_565
C14 C15 C16 C16 180.000(5) 11_556 3_565
C16 C15 C16 C16 180.000(2) 11_556 3_565
C21 C15 C16 C16 180.000(2) . 3_565
C21 C15 C16 C16 0.000(5) 11_556 3_565
C17 C15 C16 C16 180.000(2) 9_566 3_565
C16 C15 C16 C18 180.000(2) 3_565 .
C16 C15 C16 C18 0.000(2) 9_566 .
C18 C15 C16 C18 180.00(4) 3_565 .
C18 C15 C16 C18 180.000(1) 9_566 .
C15 C15 C16 C18 0.0 9_566 .
C14 C15 C16 C18 180.0 . .
C14 C15 C16 C18 0.000(4) 11_556 .
C16 C15 C16 C18 0.000(2) 11_556 .
C21 C15 C16 C18 0.000(1) . .
C21 C15 C16 C18 180.000(1) 11_556 .
C17 C15 C16 C18 0.000(1) 9_566 .
C16 C15 C16 C17 0.000(3) 3_565 .
C16 C15 C16 C17 180.000(3) 9_566 .
C18 C15 C16 C17 0.00(4) 3_565 .
C18 C15 C16 C17 0.0 9_566 .
C15 C15 C16 C17 180.000(4) 9_566 .
C14 C15 C16 C17 0.0 . .
C14 C15 C16 C17 180.000(5) 11_556 .
C16 C15 C16 C17 180.000(2) 11_556 .
C21 C15 C16 C17 180.0 . .
C21 C15 C16 C17 0.000(1) 11_556 .
C17 C15 C16 C17 180.0 9_566 .
C16 C15 C16 C19 0.000(2) 3_565 11_556
C16 C15 C16 C19 180.0 9_566 11_556
C18 C15 C16 C19 0.00(4) 3_565 11_556
C18 C15 C16 C19 0.000(1) 9_566 11_556
C15 C15 C16 C19 180.000(7) 9_566 11_556
C14 C15 C16 C19 0.0 . 11_556
C14 C15 C16 C19 180.000(3) 11_556 11_556
C16 C15 C16 C19 180.000(4) 11_556 11_556
C21 C15 C16 C19 180.000(3) . 11_556
C21 C15 C16 C19 0.0 11_556 11_556
C17 C15 C16 C19 180.000(3) 9_566 11_556
C16 C15 C16 C16 180.000(3) 3_565 9_566
C18 C15 C16 C16 180.00(5) 3_565 9_566
C18 C15 C16 C16 180.000(3) 9_566 9_566
C15 C15 C16 C16 0.000(3) 9_566 9_566
C14 C15 C16 C16 180.000(3) . 9_566
C14 C15 C16 C16 0.000(5) 11_556 9_566
C16 C15 C16 C16 0.000(4) 11_556 9_566
C21 C15 C16 C16 0.000(3) . 9_566
C21 C15 C16 C16 180.0 11_556 9_566
C17 C15 C16 C16 0.0 9_566 9_566
C16 C15 C16 C21 0.000(4) 3_565 11_556
C16 C15 C16 C21 180.000(2) 9_566 11_556
C18 C15 C16 C21 0.00(4) 3_565 11_556
C18 C15 C16 C21 0.000(2) 9_566 11_556
C15 C15 C16 C21 180.000(4) 9_566 11_556
C14 C15 C16 C21 0.000(2) . 11_556
C14 C15 C16 C21 180.000(5) 11_556 11_556
C16 C15 C16 C21 180.000(2) 11_556 11_556
C21 C15 C16 C21 180.0 . 11_556
C17 C15 C16 C21 180.0 9_566 11_556
C12 C12 C17 C21 180.000(4) 3_565 9_566
C20 C12 C17 C21 0.000(4) 9_566 9_566
C20 C12 C17 C21 0.000(13) 11_556 9_566
C22 C12 C17 C21 180.000(3) 9_566 9_566
C17 C12 C17 C21 0.000(3) 3_565 9_566
C13 C12 C17 C21 0.000(2) . 9_566
C11 C12 C17 C21 180.000(3) . 9_566
C21 C12 C17 C21 0.000(3) 11_556 9_566
C19 C12 C17 C21 0.000(2) 9_566 9_566
O13 C12 C17 C21 180.000(5) 11_556 9_566
C12 C12 C17 C19 0.000(2) 3_565 11_556
C20 C12 C17 C19 180.000(3) 9_566 11_556
C20 C12 C17 C19 180.000(10) 11_556 11_556
C22 C12 C17 C19 0.000(5) 9_566 11_556
C17 C12 C17 C19 180.000(3) 3_565 11_556
C13 C12 C17 C19 180.000(3) . 11_556
C11 C12 C17 C19 0.000(4) . 11_556
C21 C12 C17 C19 180.000(4) 11_556 11_556
C19 C12 C17 C19 180.000(3) 9_566 11_556
O13 C12 C17 C19 0.000(4) 11_556 11_556
C21 C12 C17 C19 180.000(4) 9_566 11_556
C12 C12 C17 C20 180.000(5) 3_565 11_556
C20 C12 C17 C20 0.000(4) 9_566 11_556
C22 C12 C17 C20 180.000(5) 9_566 11_556
C17 C12 C17 C20 0.000(5) 3_565 11_556
C13 C12 C17 C20 0.000(5) . 11_556
C11 C12 C17 C20 180.000(5) . 11_556
C21 C12 C17 C20 0.000(5) 11_556 11_556
C19 C12 C17 C20 0.000(5) 9_566 11_556
O13 C12 C17 C20 180.000(4) 11_556 11_556
C21 C12 C17 C20 0.000(4) 9_566 11_556
C12 C12 C17 C13 0.000(4) 3_565 3_565
C20 C12 C17 C13 180.000(4) 9_566 3_565
C20 C12 C17 C13 180.000(13) 11_556 3_565
C22 C12 C17 C13 0.000(1) 9_566 3_565
C17 C12 C17 C13 180.000(2) 3_565 3_565
C13 C12 C17 C13 180.000(2) . 3_565
C11 C12 C17 C13 0.000(2) . 3_565
C21 C12 C17 C13 180.000(2) 11_556 3_565
C19 C12 C17 C13 180.000(2) 9_566 3_565
O13 C12 C17 C13 0.000(5) 11_556 3_565
C21 C12 C17 C13 180.000(6) 9_566 3_565
C20 C12 C17 C12 180.000(7) 9_566 3_565
C20 C12 C17 C12 180.000(13) 11_556 3_565
C22 C12 C17 C12 0.000(6) 9_566 3_565
C17 C12 C17 C12 180.000(6) 3_565 3_565
C13 C12 C17 C12 180.000(7) . 3_565
C11 C12 C17 C12 0.000(6) . 3_565
C21 C12 C17 C12 180.000(6) 11_556 3_565
C19 C12 C17 C12 180.000(3) 9_566 3_565
O13 C12 C17 C12 0.000(6) 11_556 3_565
C21 C12 C17 C12 180.000(6) 9_566 3_565
C12 C12 C17 C20 180.000(6) 3_565 9_566
C20 C12 C17 C20 0.000(15) 11_556 9_566
C22 C12 C17 C20 180.000(6) 9_566 9_566
C17 C12 C17 C20 0.000(5) 3_565 9_566
C13 C12 C17 C20 0.000(5) . 9_566
C11 C12 C17 C20 180.000(6) . 9_566
C21 C12 C17 C20 0.000(5) 11_556 9_566
C19 C12 C17 C20 0.000(5) 9_566 9_566
O13 C12 C17 C20 180.000(8) 11_556 9_566
C21 C12 C17 C20 0.000(7) 9_566 9_566
C12 C12 C17 C14 180.000(3) 3_565 3_565
C20 C12 C17 C14 0.000(3) 9_566 3_565
C20 C12 C17 C14 0.000(11) 11_556 3_565
C22 C12 C17 C14 180.000(2) 9_566 3_565
C17 C12 C17 C14 0.000(2) 3_565 3_565
C13 C12 C17 C14 0.000(2) . 3_565
C11 C12 C17 C14 180.000(2) . 3_565
C21 C12 C17 C14 0.000(2) 11_556 3_565
C19 C12 C17 C14 0.000(2) 9_566 3_565
O13 C12 C17 C14 180.000(4) 11_556 3_565
C21 C12 C17 C14 0.000(3) 9_566 3_565
C12 C12 C17 C16 180.000(3) 3_565 .
C20 C12 C17 C16 0.000(3) 9_566 .
C20 C12 C17 C16 0.000(12) 11_556 .
C22 C12 C17 C16 180.000(2) 9_566 .
C17 C12 C17 C16 0.000(1) 3_565 .
C13 C12 C17 C16 0.0 . .
C11 C12 C17 C16 180.000(1) . .
C21 C12 C17 C16 0.000(1) 11_556 .
C19 C12 C17 C16 0.0 9_566 .
O13 C12 C17 C16 180.000(4) 11_556 .
C21 C12 C17 C16 0.000(2) 9_566 .
C12 C12 C17 C17 180.000(2) 3_565 3_565
C20 C12 C17 C17 0.000(3) 9_566 3_565
C20 C12 C17 C17 0.000(11) 11_556 3_565
C22 C12 C17 C17 180.000(1) 9_566 3_565
C13 C12 C17 C17 0.000(1) . 3_565
C11 C12 C17 C17 180.000(1) . 3_565
C21 C12 C17 C17 0.000(1) 11_556 3_565
C19 C12 C17 C17 0.0 9_566 3_565
O13 C12 C17 C17 180.000(4) 11_556 3_565
C21 C12 C17 C17 0.000(3) 9_566 3_565
C12 C12 C17 C18 180.000(2) 3_565 11_556
C20 C12 C17 C18 0.000(1) 9_566 11_556
C20 C12 C17 C18 0.000(9) 11_556 11_556
C22 C12 C17 C18 180.000(2) 9_566 11_556
C17 C12 C17 C18 0.000(2) 3_565 11_556
C13 C12 C17 C18 0.000(3) . 11_556
C11 C12 C17 C18 180.000(2) . 11_556
C21 C12 C17 C18 0.000(2) 11_556 11_556
C19 C12 C17 C18 0.000(3) 9_566 11_556
O13 C12 C17 C18 180.000(1) 11_556 11_556
C21 C12 C17 C18 0.000(3) 9_566 11_556
C12 C12 C17 C21 180.000(3) 3_565 11_556
C20 C12 C17 C21 0.000(4) 9_566 11_556
C20 C12 C17 C21 0.000(12) 11_556 11_556
C22 C12 C17 C21 180.000(2) 9_566 11_556
C17 C12 C17 C21 0.000(2) 3_565 11_556
C13 C12 C17 C21 0.000(1) . 11_556
C11 C12 C17 C21 180.000(2) . 11_556
C19 C12 C17 C21 0.000(2) 9_566 11_556
O13 C12 C17 C21 180.000(5) 11_556 11_556
C21 C12 C17 C21 0.000(3) 9_566 11_556
C15 C16 C17 C21 0.00(3) 9_566 9_566
C16 C16 C17 C21 0.000(19) 11_556 9_566
C18 C16 C17 C21 0.000(17) 11_556 9_566
C14 C16 C17 C21 0.000(15) 3_565 9_566
C16 C16 C17 C21 180.000(17) 3_565 9_566
C15 C16 C17 C21 180.000(17) . 9_566
C18 C16 C17 C21 0.000(18) . 9_566
C19 C16 C17 C21 0.000(16) 11_556 9_566
C16 C16 C17 C21 180.000(17) 9_566 9_566
C21 C16 C17 C21 180.000(16) 11_556 9_566
C15 C16 C17 C19 0.000(17) 9_566 11_556
C21 C16 C17 C19 0.00(2) 9_566 11_556
C16 C16 C17 C19 0.000(10) 11_556 11_556
C18 C16 C17 C19 0.0 11_556 11_556
C14 C16 C17 C19 0.000(2) 3_565 11_556
C16 C16 C17 C19 180.000(2) 3_565 11_556
C15 C16 C17 C19 180.000(1) . 11_556
C18 C16 C17 C19 0.0 . 11_556
C16 C16 C17 C19 180.000(2) 9_566 11_556
C21 C16 C17 C19 180.000(2) 11_556 11_556
C15 C16 C17 C20 180.000(17) 9_566 11_556
C21 C16 C17 C20 180.00(2) 9_566 11_556
C16 C16 C17 C20 180.000(12) 11_556 11_556
C18 C16 C17 C20 180.000(3) 11_556 11_556
C14 C16 C17 C20 180.000(2) 3_565 11_556
C16 C16 C17 C20 0.000(1) 3_565 11_556
C15 C16 C17 C20 0.000(2) . 11_556
C18 C16 C17 C20 180.000(2) . 11_556
C19 C16 C17 C20 180.000(5) 11_556 11_556
C16 C16 C17 C20 0.000(2) 9_566 11_556
C21 C16 C17 C20 0.000(1) 11_556 11_556
C15 C16 C17 C13 0.00(2) 9_566 3_565
C21 C16 C17 C13 0.00(2) 9_566 3_565
C16 C16 C17 C13 0.000(13) 11_556 3_565
C18 C16 C17 C13 0.000(3) 11_556 3_565
C14 C16 C17 C13 0.0 3_565 3_565
C16 C16 C17 C13 180.000(3) 3_565 3_565
C15 C16 C17 C13 180.000(2) . 3_565
C18 C16 C17 C13 0.000(1) . 3_565
C19 C16 C17 C13 0.000(1) 11_556 3_565
C16 C16 C17 C13 180.000(2) 9_566 3_565
C21 C16 C17 C13 180.000(2) 11_556 3_565
C15 C16 C17 C12 180.000(18) 9_566 3_565
C21 C16 C17 C12 180.00(2) 9_566 3_565
C16 C16 C17 C12 180.000(13) 11_556 3_565
C18 C16 C17 C12 180.000(1) 11_556 3_565
C14 C16 C17 C12 180.000(1) 3_565 3_565
C16 C16 C17 C12 0.000(1) 3_565 3_565
C15 C16 C17 C12 0.000(1) . 3_565
C18 C16 C17 C12 180.000(2) . 3_565
C19 C16 C17 C12 180.000(3) 11_556 3_565
C16 C16 C17 C12 0.0 9_566 3_565
C21 C16 C17 C12 0.000(1) 11_556 3_565
C15 C16 C17 C20 180.000(17) 9_566 9_566
C21 C16 C17 C20 180.00(2) 9_566 9_566
C16 C16 C17 C20 180.000(12) 11_556 9_566
C18 C16 C17 C20 180.000(2) 11_556 9_566
C14 C16 C17 C20 180.000(1) 3_565 9_566
C16 C16 C17 C20 0.0 3_565 9_566
C15 C16 C17 C20 0.0 . 9_566
C18 C16 C17 C20 180.000(1) . 9_566
C19 C16 C17 C20 180.000(4) 11_556 9_566
C16 C16 C17 C20 0.0 9_566 9_566
C21 C16 C17 C20 0.0 11_556 9_566
C15 C16 C17 C14 0.000(18) 9_566 3_565
C21 C16 C17 C14 0.00(2) 9_566 3_565
C16 C16 C17 C14 0.000(11) 11_556 3_565
C18 C16 C17 C14 0.000(1) 11_556 3_565
C16 C16 C17 C14 180.000(1) 3_565 3_565
C15 C16 C17 C14 180.000(1) . 3_565
C18 C16 C17 C14 0.000(2) . 3_565
C19 C16 C17 C14 0.000(3) 11_556 3_565
C16 C16 C17 C14 180.000(3) 9_566 3_565
C21 C16 C17 C14 180.000(1) 11_556 3_565
C15 C16 C17 C12 180.000(18) 9_566 .
C21 C16 C17 C12 180.00(2) 9_566 .
C16 C16 C17 C12 180.000(11) 11_556 .
C18 C16 C17 C12 180.000(1) 11_556 .
C14 C16 C17 C12 180.000(1) 3_565 .
C16 C16 C17 C12 0.0 3_565 .
C15 C16 C17 C12 0.000(1) . .
C18 C16 C17 C12 180.000(2) . .
C19 C16 C17 C12 180.000(3) 11_556 .
C16 C16 C17 C12 0.000(1) 9_566 .
C21 C16 C17 C12 0.0 11_556 .
C15 C16 C17 C17 180.000(17) 9_566 3_565
C21 C16 C17 C17 180.00(2) 9_566 3_565
C16 C16 C17 C17 180.000(11) 11_556 3_565
C18 C16 C17 C17 180.000(1) 11_556 3_565
C14 C16 C17 C17 180.0 3_565 3_565
C16 C16 C17 C17 0.000(1) 3_565 3_565
C15 C16 C17 C17 0.0 . 3_565
C18 C16 C17 C17 180.0 . 3_565
C19 C16 C17 C17 180.000(1) 11_556 3_565
C16 C16 C17 C17 0.0 9_566 3_565
C21 C16 C17 C17 0.000(1) 11_556 3_565
C15 C16 C17 C18 0.000(16) 9_566 11_556
C21 C16 C17 C18 0.00(2) 9_566 11_556
C16 C16 C17 C18 0.000(9) 11_556 11_556
C14 C16 C17 C18 0.000(3) 3_565 11_556
C16 C16 C17 C18 180.0 3_565 11_556
C15 C16 C17 C18 180.000(1) . 11_556
C18 C16 C17 C18 0.0 . 11_556
C19 C16 C17 C18 0.000(2) 11_556 11_556
C16 C16 C17 C18 180.000(2) 9_566 11_556
C21 C16 C17 C18 180.000(1) 11_556 11_556
C15 C16 C17 C21 180.000(19) 9_566 11_556
C21 C16 C17 C21 180.00(2) 9_566 11_556
C16 C16 C17 C21 180.000(12) 11_556 11_556
C18 C16 C17 C21 180.0 11_556 11_556
C14 C16 C17 C21 180.000(1) 3_565 11_556
C16 C16 C17 C21 0.000(2) 3_565 11_556
C15 C16 C17 C21 0.000(2) . 11_556
C18 C16 C17 C21 180.000(2) . 11_556
C19 C16 C17 C21 180.000(1) 11_556 11_556
C16 C16 C17 C21 0.000(1) 9_566 11_556
C15 C16 C18 C14 0.000(5) 9_566 9_566
C21 C16 C18 C14 180.000(3) 9_566 9_566
C16 C16 C18 C14 0.000(4) 11_556 9_566
C18 C16 C18 C14 180.000(3) 11_556 9_566
C14 C16 C18 C14 180.000(3) 3_565 9_566
C16 C16 C18 C14 0.000(3) 3_565 9_566
C15 C16 C18 C14 0.000(2) . 9_566
C17 C16 C18 C14 180.000(3) . 9_566
C19 C16 C18 C14 180.000(3) 11_556 9_566
C16 C16 C18 C14 0.000(3) 9_566 9_566
C21 C16 C18 C14 0.000(12) 11_556 9_566
C15 C16 C18 C18 180.000(3) 9_566 11_556
C21 C16 C18 C18 0.000(2) 9_566 11_556
C16 C16 C18 C18 180.000(2) 11_556 11_556
C14 C16 C18 C18 0.0 3_565 11_556
C16 C16 C18 C18 180.000(1) 3_565 11_556
C15 C16 C18 C18 180.000(2) . 11_556
C17 C16 C18 C18 0.000(2) . 11_556
C19 C16 C18 C18 0.000(1) 11_556 11_556
C16 C16 C18 C18 180.000(1) 9_566 11_556
C21 C16 C18 C18 180.000(11) 11_556 11_556
C15 C16 C18 C16 0.000(3) 9_566 11_556
C21 C16 C18 C16 180.000(3) 9_566 11_556
C18 C16 C18 C16 180.000(2) 11_556 11_556
C14 C16 C18 C16 180.000(2) 3_565 11_556
C16 C16 C18 C16 0.0 3_565 11_556
C15 C16 C18 C16 0.0 . 11_556
C17 C16 C18 C16 180.000(2) . 11_556
C19 C16 C18 C16 180.000(2) 11_556 11_556
C16 C16 C18 C16 0.0 9_566 11_556
C21 C16 C18 C16 0.000(8) 11_556 11_556
C21 C16 C18 C15 180.000(7) 9_566 9_566
C16 C16 C18 C15 0.000(7) 11_556 9_566
C18 C16 C18 C15 180.000(5) 11_556 9_566
C14 C16 C18 C15 180.000(5) 3_565 9_566
C16 C16 C18 C15 0.000(5) 3_565 9_566
C15 C16 C18 C15 0.000(5) . 9_566
C17 C16 C18 C15 180.000(6) . 9_566
C19 C16 C18 C15 180.000(5) 11_556 9_566
C16 C16 C18 C15 0.000(6) 9_566 9_566
C21 C16 C18 C15 0.000(10) 11_556 9_566
C15 C16 C18 C14 180.000(4) 9_566 3_565
C21 C16 C18 C14 0.000(2) 9_566 3_565
C16 C16 C18 C14 180.000(2) 11_556 3_565
C18 C16 C18 C14 0.000(5) 11_556 3_565
C16 C16 C18 C14 180.000(4) 3_565 3_565
C15 C16 C18 C14 180.000(1) . 3_565
C17 C16 C18 C14 0.0 . 3_565
C19 C16 C18 C14 0.000(2) 11_556 3_565
C16 C16 C18 C14 180.000(3) 9_566 3_565
C21 C16 C18 C14 180.000(12) 11_556 3_565
C15 C16 C18 C21 0.000(3) 9_566 3_565
C21 C16 C18 C21 180.000(3) 9_566 3_565
C16 C16 C18 C21 0.000(2) 11_556 3_565
C18 C16 C18 C21 180.000(2) 11_556 3_565
C14 C16 C18 C21 180.000(1) 3_565 3_565
C16 C16 C18 C21 0.0 3_565 3_565
C15 C16 C18 C21 0.0 . 3_565
C17 C16 C18 C21 180.000(2) . 3_565
C19 C16 C18 C21 180.0 11_556 3_565
C16 C16 C18 C21 0.0 9_566 3_565
C21 C16 C18 C21 0.000(10) 11_556 3_565
C15 C16 C18 C19 0.000(2) 9_566 .
C21 C16 C18 C19 180.000(3) 9_566 .
C16 C16 C18 C19 0.0 11_556 .
C18 C16 C18 C19 180.000(3) 11_556 .
C14 C16 C18 C19 180.000(1) 3_565 .
C16 C16 C18 C19 0.000(2) 3_565 .
C15 C16 C18 C19 0.000(2) . .
C17 C16 C18 C19 180.000(2) . .
C19 C16 C18 C19 180.0 11_556 .
C16 C16 C18 C19 0.000(2) 9_566 .
C21 C16 C18 C19 0.000(10) 11_556 .
C15 C16 C18 C17 0.000(4) 9_566 11_556
C21 C16 C18 C17 180.000(2) 9_566 11_556
C16 C16 C18 C17 0.000(2) 11_556 11_556
C18 C16 C18 C17 180.000(1) 11_556 11_556
C14 C16 C18 C17 180.000(1) 3_565 11_556
C16 C16 C18 C17 0.000(1) 3_565 11_556
C15 C16 C18 C17 0.000(1) . 11_556
C17 C16 C18 C17 180.000(2) . 11_556
C19 C16 C18 C17 180.0 11_556 11_556
C16 C16 C18 C17 0.000(1) 9_566 11_556
C21 C16 C18 C17 0.000(11) 11_556 11_556
C15 C16 C18 C13 0.000(3) 9_566 9_566
C21 C16 C18 C13 180.000(1) 9_566 9_566
C16 C16 C18 C13 0.000(2) 11_556 9_566
C18 C16 C18 C13 180.000(2) 11_556 9_566
C14 C16 C18 C13 180.000(2) 3_565 9_566
C16 C16 C18 C13 0.000(1) 3_565 9_566
C15 C16 C18 C13 0.000(1) . 9_566
C17 C16 C18 C13 180.0 . 9_566
C19 C16 C18 C13 180.000(1) 11_556 9_566
C16 C16 C18 C13 0.000(1) 9_566 9_566
C21 C16 C18 C13 0.000(11) 11_556 9_566
C15 C16 C18 C21 180.000(3) 9_566 9_566
C16 C16 C18 C21 180.000(2) 11_556 9_566
C18 C16 C18 C21 0.000(2) 11_556 9_566
C14 C16 C18 C21 0.000(1) 3_565 9_566
C16 C16 C18 C21 180.000(2) 3_565 9_566
C15 C16 C18 C21 180.000(1) . 9_566
C17 C16 C18 C21 0.000(1) . 9_566
C19 C16 C18 C21 0.000(1) 11_556 9_566
C16 C16 C18 C21 180.000(1) 9_566 9_566
C21 C16 C18 C21 180.000(14) 11_556 9_566
C14 C18 C19 C13 0.00(3) 9_566 9_566
C18 C18 C19 C13 180.00(2) 11_556 9_566
C16 C18 C19 C13 180.000(10) 11_556 9_566
C15 C18 C19 C13 180.000(13) 9_566 9_566
C14 C18 C19 C13 180.000(19) 3_565 9_566
C21 C18 C19 C13 180.000(13) 3_565 9_566
C16 C18 C19 C13 180.000(11) . 9_566
C17 C18 C19 C13 180.000(10) 11_556 9_566
C21 C18 C19 C13 180.000(11) 9_566 9_566
C14 C18 C19 C17 180.000(19) 9_566 11_556
C18 C18 C19 C17 0.000(14) 11_556 11_556
C16 C18 C19 C17 0.000(1) 11_556 11_556
C15 C18 C19 C17 0.000(1) 9_566 11_556
C14 C18 C19 C17 0.000(9) 3_565 11_556
C21 C18 C19 C17 0.000(3) 3_565 11_556
C16 C18 C19 C17 0.000(2) . 11_556
C13 C18 C19 C17 180.000(9) 9_566 11_556
C21 C18 C19 C17 0.000(2) 9_566 11_556
C14 C18 C19 C21 180.000(18) 9_566 3_565
C18 C18 C19 C21 0.000(16) 11_556 3_565
C16 C18 C19 C21 0.000(4) 11_556 3_565
C15 C18 C19 C21 0.000(3) 9_566 3_565
C14 C18 C19 C21 0.000(12) 3_565 3_565
C16 C18 C19 C21 0.000(3) . 3_565
C17 C18 C19 C21 0.000(8) 11_556 3_565
C13 C18 C19 C21 180.000(11) 9_566 3_565
C21 C18 C19 C21 0.000(3) 9_566 3_565
C18 C18 C19 C14 180.00(3) 11_556 9_566
C16 C18 C19 C14 180.00(2) 11_556 9_566
C15 C18 C19 C14 180.00(2) 9_566 9_566
C14 C18 C19 C14 180.00(3) 3_565 9_566
C21 C18 C19 C14 180.00(2) 3_565 9_566
C16 C18 C19 C14 180.00(2) . 9_566
C17 C18 C19 C14 180.00(2) 11_556 9_566
C13 C18 C19 C14 0.00(3) 9_566 9_566
C21 C18 C19 C14 180.00(2) 9_566 9_566
C14 C18 C19 C20 180.000(19) 9_566 .
C18 C18 C19 C20 0.000(15) 11_556 .
C16 C18 C19 C20 0.0 11_556 .
C15 C18 C19 C20 0.000(1) 9_566 .
C14 C18 C19 C20 0.000(10) 3_565 .
C21 C18 C19 C20 0.000(3) 3_565 .
C16 C18 C19 C20 0.000(1) . .
C17 C18 C19 C20 0.000(3) 11_556 .
C13 C18 C19 C20 180.000(9) 9_566 .
C21 C18 C19 C20 0.000(2) 9_566 .
C14 C18 C19 C16 180.00(2) 9_566 11_556
C18 C18 C19 C16 0.000(14) 11_556 11_556
C15 C18 C19 C16 0.000(2) 9_566 11_556
C14 C18 C19 C16 0.000(9) 3_565 11_556
C21 C18 C19 C16 0.000(2) 3_565 11_556
C16 C18 C19 C16 0.0 . 11_556
C17 C18 C19 C16 0.000(3) 11_556 11_556
C13 C18 C19 C16 180.000(9) 9_566 11_556
C21 C18 C19 C16 0.0 9_566 11_556
C14 C18 C19 C12 180.00(2) 9_566 9_566
C18 C18 C19 C12 0.000(15) 11_556 9_566
C16 C18 C19 C12 0.000(2) 11_556 9_566
C15 C18 C19 C12 0.000(1) 9_566 9_566
C14 C18 C19 C12 0.000(12) 3_565 9_566
C21 C18 C19 C12 0.000(3) 3_565 9_566
C16 C18 C19 C12 0.0 . 9_566
C17 C18 C19 C12 0.000(5) 11_556 9_566
C13 C18 C19 C12 180.000(10) 9_566 9_566
C21 C18 C19 C12 0.000(1) 9_566 9_566
C14 C18 C19 C20 180.000(17) 9_566 3_565
C18 C18 C19 C20 0.000(15) 11_556 3_565
C16 C18 C19 C20 0.000(2) 11_556 3_565
C15 C18 C19 C20 0.000(2) 9_566 3_565
C14 C18 C19 C20 0.000(11) 3_565 3_565
C21 C18 C19 C20 0.000(5) 3_565 3_565
C16 C18 C19 C20 0.000(1) . 3_565
C17 C18 C19 C20 0.000(4) 11_556 3_565
C13 C18 C19 C20 180.000(9) 9_566 3_565
C21 C18 C19 C20 0.000(2) 9_566 3_565
C14 C18 C19 C15 180.000(19) 9_566 9_566
C18 C18 C19 C15 0.000(13) 11_556 9_566
C16 C18 C19 C15 0.000(3) 11_556 9_566
C14 C18 C19 C15 0.000(9) 3_565 9_566
C21 C18 C19 C15 0.000(3) 3_565 9_566
C16 C18 C19 C15 0.000(2) . 9_566
C17 C18 C19 C15 0.000(4) 11_556 9_566
C13 C18 C19 C15 180.000(10) 9_566 9_566
C21 C18 C19 C15 0.0 9_566 9_566
C14 C18 C19 C12 180.000(17) 9_566 11_556
C18 C18 C19 C12 0.000(13) 11_556 11_556
C16 C18 C19 C12 0.000(2) 11_556 11_556
C15 C18 C19 C12 0.0 9_566 11_556
C14 C18 C19 C12 0.000(11) 3_565 11_556
C21 C18 C19 C12 0.000(3) 3_565 11_556
C16 C18 C19 C12 0.000(2) . 11_556
C17 C18 C19 C12 0.000(5) 11_556 11_556
C13 C18 C19 C12 180.000(10) 9_566 11_556
C21 C18 C19 C12 0.000(3) 9_566 11_556
C13 C19 C20 C20 180.000(10) 9_566 3_565
C17 C19 C20 C20 0.00(2) 11_556 3_565
C21 C19 C20 C20 0.000(10) 3_565 3_565
C14 C19 C20 C20 0.000(9) 9_566 3_565
C18 C19 C20 C20 0.000(14) . 3_565
C16 C19 C20 C20 0.000(10) 11_556 3_565
C12 C19 C20 C20 180.000(13) 9_566 3_565
C15 C19 C20 C20 0.000(10) 9_566 3_565
C12 C19 C20 C20 180.000(15) 11_556 3_565
C13 C19 C20 C12 0.000(5) 9_566 9_566
C17 C19 C20 C12 180.000(16) 11_556 9_566
C21 C19 C20 C12 180.000(5) 3_565 9_566
C14 C19 C20 C12 180.000(4) 9_566 9_566
C18 C19 C20 C12 180.000(4) . 9_566
C16 C19 C20 C12 180.000(3) 11_556 9_566
C20 C19 C20 C12 180.000(6) 3_565 9_566
C15 C19 C20 C12 180.000(3) 9_566 9_566
C12 C19 C20 C12 0.000(4) 11_556 9_566
C13 C19 C20 C12 0.000(3) 9_566 11_556
C17 C19 C20 C12 180.000(12) 11_556 11_556
C21 C19 C20 C12 180.000(4) 3_565 11_556
C14 C19 C20 C12 180.000(3) 9_566 11_556
C18 C19 C20 C12 180.000(4) . 11_556
C16 C19 C20 C12 180.000(5) 11_556 11_556
C12 C19 C20 C12 0.000(8) 9_566 11_556
C20 C19 C20 C12 180.000(8) 3_565 11_556
C15 C19 C20 C12 180.000(5) 9_566 11_556
C13 C19 C20 C17 180.000(4) 9_566 11_556
C21 C19 C20 C17 0.000(4) 3_565 11_556
C14 C19 C20 C17 0.000(5) 9_566 11_556
C18 C19 C20 C17 0.000(5) . 11_556
C16 C19 C20 C17 0.000(5) 11_556 11_556
C12 C19 C20 C17 180.000(11) 9_566 11_556
C20 C19 C20 C17 0.000(7) 3_565 11_556
C15 C19 C20 C17 0.000(5) 9_566 11_556
C12 C19 C20 C17 180.000(12) 11_556 11_556
C13 C19 C20 C21 180.000(5) 9_566 3_565
C17 C19 C20 C21 0.000(17) 11_556 3_565
C14 C19 C20 C21 0.000(4) 9_566 3_565
C18 C19 C20 C21 0.000(3) . 3_565
C16 C19 C20 C21 0.000(4) 11_556 3_565
C12 C19 C20 C21 180.000(2) 9_566 3_565
C20 C19 C20 C21 0.000(8) 3_565 3_565
C15 C19 C20 C21 0.000(4) 9_566 3_565
C12 C19 C20 C21 180.000(4) 11_556 3_565
C13 C19 C20 C17 180.000(5) 9_566 9_566
C17 C19 C20 C17 0.000(14) 11_556 9_566
C21 C19 C20 C17 0.000(4) 3_565 9_566
C14 C19 C20 C17 0.000(4) 9_566 9_566
C18 C19 C20 C17 0.000(3) . 9_566
C16 C19 C20 C17 0.000(3) 11_556 9_566
C12 C19 C20 C17 180.000(4) 9_566 9_566
C20 C19 C20 C17 0.000(5) 3_565 9_566
C15 C19 C20 C17 0.000(3) 9_566 9_566
C12 C19 C20 C17 180.000(4) 11_556 9_566
C17 C19 C20 C13 180.000(14) 11_556 9_566
C21 C19 C20 C13 180.000(3) 3_565 9_566
C14 C19 C20 C13 180.000(6) 9_566 9_566
C18 C19 C20 C13 180.000(5) . 9_566
C16 C19 C20 C13 180.000(2) 11_556 9_566
C12 C19 C20 C13 0.000(5) 9_566 9_566
C20 C19 C20 C13 180.000(5) 3_565 9_566
C15 C19 C20 C13 180.000(2) 9_566 9_566
C12 C19 C20 C13 0.000(7) 11_556 9_566
C13 C19 C20 C21 180.000(4) 9_566 .
C17 C19 C20 C21 0.000(14) 11_556 .
C21 C19 C20 C21 0.000(3) 3_565 .
C14 C19 C20 C21 0.000(2) 9_566 .
C18 C19 C20 C21 0.000(3) . .
C16 C19 C20 C21 0.000(2) 11_556 .
C12 C19 C20 C21 180.000(3) 9_566 .
C20 C19 C20 C21 0.000(7) 3_565 .
C15 C19 C20 C21 0.000(1) 9_566 .
C12 C19 C20 C21 180.000(5) 11_556 .
C13 C19 C20 C22 0.000(3) 9_566 .
C17 C19 C20 C22 180.000(14) 11_556 .
C21 C19 C20 C22 180.000(3) 3_565 .
C14 C19 C20 C22 180.000(3) 9_566 .
C18 C19 C20 C22 180.000(2) . .
C16 C19 C20 C22 180.000(2) 11_556 .
C12 C19 C20 C22 0.000(3) 9_566 .
C20 C19 C20 C22 180.000(7) 3_565 .
C15 C19 C20 C22 180.000(2) 9_566 .
C12 C19 C20 C22 0.000(4) 11_556 .
C13 C19 C20 C13 180.000(2) 9_566 11_556
C17 C19 C20 C13 0.000(14) 11_556 11_556
C21 C19 C20 C13 0.000(3) 3_565 11_556
C14 C19 C20 C13 0.000(2) 9_566 11_556
C18 C19 C20 C13 0.000(5) . 11_556
C16 C19 C20 C13 0.000(1) 11_556 11_556
C12 C19 C20 C13 180.000(2) 9_566 11_556
C20 C19 C20 C13 0.000(5) 3_565 11_556
C15 C19 C20 C13 0.0 9_566 11_556
C12 C19 C20 C13 180.000(6) 11_556 11_556
C13 C19 C20 C16 180.000(3) 9_566 11_556
C17 C19 C20 C16 0.000(15) 11_556 11_556
C21 C19 C20 C16 0.000(3) 3_565 11_556
C14 C19 C20 C16 0.000(2) 9_566 11_556
C18 C19 C20 C16 0.000(2) . 11_556
C12 C19 C20 C16 180.000(3) 9_566 11_556
C20 C19 C20 C16 0.000(7) 3_565 11_556
C15 C19 C20 C16 0.000(2) 9_566 11_556
C12 C19 C20 C16 180.000(3) 11_556 11_556
C20 C20 C21 C17 0.000(10) 3_565 9_566
C12 C20 C21 C17 0.000(7) 9_566 9_566
C12 C20 C21 C17 0.000(6) 11_556 9_566
C17 C20 C21 C17 180.000(6) 11_556 9_566
C21 C20 C21 C17 180.000(3) 3_565 9_566
C13 C20 C21 C17 180.000(6) 9_566 9_566
C19 C20 C21 C17 180.000(3) . 9_566
C22 C20 C21 C17 0.000(4) . 9_566
C13 C20 C21 C17 0.000(6) 11_556 9_566
C16 C20 C21 C17 180.000(3) 11_556 9_566
C20 C20 C21 C19 0.000(8) 3_565 3_565
C12 C20 C21 C19 0.000(6) 9_566 3_565
C12 C20 C21 C19 0.000(4) 11_556 3_565
C17 C20 C21 C19 180.000(3) 11_556 3_565
C21 C20 C21 C19 180.000(2) 3_565 3_565
C17 C20 C21 C19 0.000(7) 9_566 3_565
C13 C20 C21 C19 180.000(4) 9_566 3_565
C19 C20 C21 C19 180.000(2) . 3_565
C22 C20 C21 C19 0.000(3) . 3_565
C13 C20 C21 C19 0.000(4) 11_556 3_565
C16 C20 C21 C19 180.000(2) 11_556 3_565
C20 C20 C21 C16 180.000(6) 3_565 9_566
C12 C20 C21 C16 180.000(5) 9_566 9_566
C12 C20 C21 C16 180.000(3) 11_556 9_566
C17 C20 C21 C16 0.000(3) 11_556 9_566
C21 C20 C21 C16 0.000(2) 3_565 9_566
C17 C20 C21 C16 180.000(8) 9_566 9_566
C13 C20 C21 C16 0.000(2) 9_566 9_566
C19 C20 C21 C16 0.000(2) . 9_566
C22 C20 C21 C16 180.000(3) . 9_566
C13 C20 C21 C16 180.000(2) 11_556 9_566
C16 C20 C21 C16 0.0 11_556 9_566
C20 C20 C21 C14 0.000(9) 3_565 11_556
C12 C20 C21 C14 0.000(11) 9_566 11_556
C12 C20 C21 C14 0.000(12) 11_556 11_556
C17 C20 C21 C14 180.000(12) 11_556 11_556
C21 C20 C21 C14 180.000(15) 3_565 11_556
C17 C20 C21 C14 0.000(8) 9_566 11_556
C13 C20 C21 C14 180.000(11) 9_566 11_556
C19 C20 C21 C14 180.000(14) . 11_556
C22 C20 C21 C14 0.000(13) . 11_556
C13 C20 C21 C14 0.000(11) 11_556 11_556
C16 C20 C21 C14 180.000(15) 11_556 11_556
C12 C20 C21 C20 0.000(11) 9_566 3_565
C12 C20 C21 C20 0.000(10) 11_556 3_565
C17 C20 C21 C20 180.000(10) 11_556 3_565
C21 C20 C21 C20 180.000(6) 3_565 3_565
C17 C20 C21 C20 0.000(14) 9_566 3_565
C13 C20 C21 C20 180.000(10) 9_566 3_565
C19 C20 C21 C20 180.000(7) . 3_565
C22 C20 C21 C20 0.000(8) . 3_565
C13 C20 C21 C20 0.000(10) 11_556 3_565
C16 C20 C21 C20 180.000(6) 11_556 3_565
C20 C20 C21 C13 0.000(8) 3_565 11_556
C12 C20 C21 C13 0.000(6) 9_566 11_556
C12 C20 C21 C13 0.000(3) 11_556 11_556
C17 C20 C21 C13 180.000(3) 11_556 11_556
C21 C20 C21 C13 180.000(2) 3_565 11_556
C17 C20 C21 C13 0.000(7) 9_566 11_556
C13 C20 C21 C13 180.000(3) 9_566 11_556
C19 C20 C21 C13 180.000(1) . 11_556
C22 C20 C21 C13 0.000(2) . 11_556
C16 C20 C21 C13 180.000(1) 11_556 11_556
C20 C20 C21 C18 180.000(4) 3_565 3_565
C12 C20 C21 C18 180.000(4) 9_566 3_565
C12 C20 C21 C18 180.000(4) 11_556 3_565
C17 C20 C21 C18 0.000(4) 11_556 3_565
C21 C20 C21 C18 0.000(5) 3_565 3_565
C17 C20 C21 C18 180.000(4) 9_566 3_565
C13 C20 C21 C18 0.000(5) 9_566 3_565
C19 C20 C21 C18 0.000(5) . 3_565
C22 C20 C21 C18 180.000(5) . 3_565
C13 C20 C21 C18 180.000(5) 11_556 3_565
C16 C20 C21 C18 0.000(6) 11_556 3_565
C20 C20 C21 C15 180.000(4) 3_565 .
C12 C20 C21 C15 180.000(4) 9_566 .
C12 C20 C21 C15 180.000(2) 11_556 .
C17 C20 C21 C15 0.000(1) 11_556 .
C21 C20 C21 C15 0.0 3_565 .
C17 C20 C21 C15 180.000(6) 9_566 .
C13 C20 C21 C15 0.000(1) 9_566 .
C19 C20 C21 C15 0.000(1) . .
C22 C20 C21 C15 180.0 . .
C13 C20 C21 C15 180.000(1) 11_556 .
C16 C20 C21 C15 0.000(2) 11_556 .
C20 C20 C21 C12 0.000(9) 3_565 11_556
C12 C20 C21 C12 0.000(6) 9_566 11_556
C17 C20 C21 C12 180.000(4) 11_556 11_556
C21 C20 C21 C12 180.000(2) 3_565 11_556
C17 C20 C21 C12 0.000(8) 9_566 11_556
C13 C20 C21 C12 180.000(5) 9_566 11_556
C19 C20 C21 C12 180.000(2) . 11_556
C22 C20 C21 C12 0.000(3) . 11_556
C13 C20 C21 C12 0.000(4) 11_556 11_556
C16 C20 C21 C12 180.000(2) 11_556 11_556
C20 C20 C21 C21 180.000(7) 3_565 3_565
C12 C20 C21 C21 180.000(4) 9_566 3_565
C12 C20 C21 C21 180.000(3) 11_556 3_565
C17 C20 C21 C21 0.000(3) 11_556 3_565
C17 C20 C21 C21 180.000(7) 9_566 3_565
C13 C20 C21 C21 0.000(3) 9_566 3_565
C19 C20 C21 C21 0.000(2) . 3_565
C22 C20 C21 C21 180.000(1) . 3_565
C13 C20 C21 C21 180.000(3) 11_556 3_565
C16 C20 C21 C21 0.000(1) 11_556 3_565
C20 C20 C21 C16 180.000(7) 3_565 11_556
C12 C20 C21 C16 180.000(5) 9_566 11_556
C12 C20 C21 C16 180.000(2) 11_556 11_556
C17 C20 C21 C16 0.000(2) 11_556 11_556
C21 C20 C21 C16 0.000(1) 3_565 11_556
C17 C20 C21 C16 180.000(6) 9_566 11_556
C13 C20 C21 C16 0.000(2) 9_566 11_556
C19 C20 C21 C16 0.000(1) . 11_556
C22 C20 C21 C16 180.000(1) . 11_556
C13 C20 C21 C16 180.000(2) 11_556 11_556
C16 C15 C21 C17 180.00(3) 3_565 9_566
C16 C15 C21 C17 0.00(3) 9_566 9_566
C18 C15 C21 C17 180.00(2) 3_565 9_566
C18 C15 C21 C17 180.00(2) 9_566 9_566
C15 C15 C21 C17 0.000(19) 9_566 9_566
C14 C15 C21 C17 180.00(2) . 9_566
C14 C15 C21 C17 180.00(2) 11_556 9_566
C16 C15 C21 C17 0.000(19) . 9_566
C16 C15 C21 C17 0.00(2) 11_556 9_566
C21 C15 C21 C17 180.00(2) 11_556 9_566
C16 C15 C21 C19 0.00(2) 3_565 3_565
C16 C15 C21 C19 180.00(2) 9_566 3_565
C18 C15 C21 C19 0.000(4) 3_565 3_565
C18 C15 C21 C19 0.000(3) 9_566 3_565
C15 C15 C21 C19 180.000(3) 9_566 3_565
C14 C15 C21 C19 0.000(3) . 3_565
C14 C15 C21 C19 0.000(5) 11_556 3_565
C16 C15 C21 C19 180.000(4) . 3_565
C16 C15 C21 C19 180.000(3) 11_556 3_565
C21 C15 C21 C19 0.000(9) 11_556 3_565
C17 C15 C21 C19 180.000(17) 9_566 3_565
C16 C15 C21 C16 180.00(4) 3_565 9_566
C18 C15 C21 C16 180.00(2) 3_565 9_566
C18 C15 C21 C16 180.00(2) 9_566 9_566
C15 C15 C21 C16 0.00(2) 9_566 9_566
C14 C15 C21 C16 180.00(2) . 9_566
C14 C15 C21 C16 180.00(2) 11_556 9_566
C16 C15 C21 C16 0.00(2) . 9_566
C16 C15 C21 C16 0.00(2) 11_556 9_566
C21 C15 C21 C16 180.00(3) 11_556 9_566
C17 C15 C21 C16 0.00(3) 9_566 9_566
C16 C15 C21 C14 0.000(19) 3_565 11_556
C16 C15 C21 C14 180.00(2) 9_566 11_556
C18 C15 C21 C14 0.000(1) 3_565 11_556
C18 C15 C21 C14 0.0 9_566 11_556
C15 C15 C21 C14 180.000(1) 9_566 11_556
C14 C15 C21 C14 0.0 . 11_556
C16 C15 C21 C14 180.000(3) . 11_556
C16 C15 C21 C14 180.000(2) 11_556 11_556
C21 C15 C21 C14 0.000(4) 11_556 11_556
C17 C15 C21 C14 180.000(14) 9_566 11_556
C16 C15 C21 C20 180.00(2) 3_565 3_565
C16 C15 C21 C20 0.00(2) 9_566 3_565
C18 C15 C21 C20 180.000(1) 3_565 3_565
C18 C15 C21 C20 180.000(2) 9_566 3_565
C15 C15 C21 C20 0.0 9_566 3_565
C14 C15 C21 C20 180.000(2) . 3_565
C14 C15 C21 C20 180.000(1) 11_556 3_565
C16 C15 C21 C20 0.0 . 3_565
C16 C15 C21 C20 0.000(2) 11_556 3_565
C21 C15 C21 C20 180.000(6) 11_556 3_565
C17 C15 C21 C20 0.000(14) 9_566 3_565
C16 C15 C21 C13 0.00(2) 3_565 11_556
C16 C15 C21 C13 180.000(19) 9_566 11_556
C18 C15 C21 C13 0.000(3) 3_565 11_556
C18 C15 C21 C13 0.000(3) 9_566 11_556
C15 C15 C21 C13 180.000(4) 9_566 11_556
C14 C15 C21 C13 0.000(3) . 11_556
C14 C15 C21 C13 0.000(2) 11_556 11_556
C16 C15 C21 C13 180.000(3) . 11_556
C16 C15 C21 C13 180.000(3) 11_556 11_556
C21 C15 C21 C13 0.000(6) 11_556 11_556
C17 C15 C21 C13 180.000(15) 9_566 11_556
C16 C15 C21 C18 0.00(2) 3_565 3_565
C16 C15 C21 C18 180.000(18) 9_566 3_565
C18 C15 C21 C18 0.000(3) 9_566 3_565
C15 C15 C21 C18 180.000(1) 9_566 3_565
C14 C15 C21 C18 0.000(3) . 3_565
C14 C15 C21 C18 0.000(4) 11_556 3_565
C16 C15 C21 C18 180.000(2) . 3_565
C16 C15 C21 C18 180.000(1) 11_556 3_565
C21 C15 C21 C18 0.000(6) 11_556 3_565
C17 C15 C21 C18 180.000(13) 9_566 3_565
C16 C15 C21 C20 180.000(19) 3_565 .
C16 C15 C21 C20 0.000(18) 9_566 .
C18 C15 C21 C20 180.000(1) 3_565 .
C18 C15 C21 C20 180.0 9_566 .
C15 C15 C21 C20 0.000(1) 9_566 .
C14 C15 C21 C20 180.0 . .
C14 C15 C21 C20 180.000(2) 11_556 .
C16 C15 C21 C20 0.000(3) . .
C16 C15 C21 C20 0.0 11_556 .
C21 C15 C21 C20 180.000(3) 11_556 .
C17 C15 C21 C20 0.000(12) 9_566 .
C16 C15 C21 C12 180.000(18) 3_565 11_556
C16 C15 C21 C12 0.000(17) 9_566 11_556
C18 C15 C21 C12 180.000(2) 3_565 11_556
C18 C15 C21 C12 180.000(1) 9_566 11_556
C15 C15 C21 C12 0.000(3) 9_566 11_556
C14 C15 C21 C12 180.000(1) . 11_556
C14 C15 C21 C12 180.000(2) 11_556 11_556
C16 C15 C21 C12 0.000(4) . 11_556
C16 C15 C21 C12 0.000(2) 11_556 11_556
C21 C15 C21 C12 180.000(3) 11_556 11_556
C17 C15 C21 C12 0.000(13) 9_566 11_556
C16 C15 C21 C21 180.00(2) 3_565 3_565
C16 C15 C21 C21 0.00(2) 9_566 3_565
C18 C15 C21 C21 180.000(2) 3_565 3_565
C18 C15 C21 C21 180.000(1) 9_566 3_565
C15 C15 C21 C21 0.0 9_566 3_565
C14 C15 C21 C21 180.0 . 3_565
C14 C15 C21 C21 180.000(3) 11_556 3_565
C16 C15 C21 C21 0.0 . 3_565
C16 C15 C21 C21 0.000(1) 11_556 3_565
C21 C15 C21 C21 180.000(6) 11_556 3_565
C17 C15 C21 C21 0.000(14) 9_566 3_565
C16 C15 C21 C16 180.00(2) 3_565 11_556
C16 C15 C21 C16 0.000(19) 9_566 11_556
C18 C15 C21 C16 180.0 3_565 11_556
C18 C15 C21 C16 180.0 9_566 11_556
C15 C15 C21 C16 0.000(2) 9_566 11_556
C14 C15 C21 C16 180.0 . 11_556
C14 C15 C21 C16 180.000(1) 11_556 11_556
C16 C15 C21 C16 0.000(2) . 11_556
C21 C15 C21 C16 180.000(5) 11_556 11_556
C17 C15 C21 C16 0.000(14) 9_566 11_556
O14 O13 C22 C11 0.00(3) 3_565 9_566
O11 O13 C22 C11 0.00(2) 9_566 9_566
O12 O13 C22 C11 0.000(13) 11_556 9_566
C12 O13 C22 C11 180.000(6) 11_556 9_566
Zr2 O13 C22 C11 0.000(5) 9_566 9_566
O14 O13 C22 C12 180.00(3) 3_565 9_566
O11 O13 C22 C12 180.00(2) 9_566 9_566
O12 O13 C22 C12 180.000(6) 11_556 9_566
C11 O13 C22 C12 180.000(11) 9_566 9_566
C12 O13 C22 C12 0.000(4) 11_556 9_566
Zr2 O13 C22 C12 180.000(3) 9_566 9_566
O14 O13 C22 C12 180.00(3) 3_565 11_556
O11 O13 C22 C12 180.00(2) 9_566 11_556
O12 O13 C22 C12 180.000(6) 11_556 11_556
C11 O13 C22 C12 180.000(10) 9_566 11_556
Zr2 O13 C22 C12 180.000(3) 9_566 11_556
O14 O13 C22 O13 0.00(2) 3_565 3_565
O11 O13 C22 O13 0.00(2) 9_566 3_565
O12 O13 C22 O13 0.000(10) 11_556 3_565
C11 O13 C22 O13 0.000(4) 9_566 3_565
C12 O13 C22 O13 180.000(10) 11_556 3_565
Zr2 O13 C22 O13 0.000(5) 9_566 3_565
O14 O13 C22 O14 0.00(3) 3_565 .
O11 O13 C22 O14 0.00(2) 9_566 .
O12 O13 C22 O14 0.000(13) 11_556 .
C11 O13 C22 O14 0.000(9) 9_566 .
C12 O13 C22 O14 180.000(7) 11_556 .
Zr2 O13 C22 O14 0.000(5) 9_566 .
O11 O13 C22 O14 0.00(4) 9_566 3_565
O12 O13 C22 O14 0.00(3) 11_556 3_565
C11 O13 C22 O14 0.00(3) 9_566 3_565
C12 O13 C22 O14 180.00(3) 11_556 3_565
Zr2 O13 C22 O14 0.00(3) 9_566 3_565
O14 O13 C22 O11 0.00(4) 3_565 9_566
O12 O13 C22 O11 0.00(3) 11_556 9_566
C11 O13 C22 O11 0.00(3) 9_566 9_566
C12 O13 C22 O11 180.00(2) 11_556 9_566
Zr2 O13 C22 O11 0.00(2) 9_566 9_566
O14 O13 C22 O11 0.00(3) 3_565 11_556
O11 O13 C22 O11 0.00(2) 9_566 11_556
O12 O13 C22 O11 0.000(13) 11_556 11_556
C11 O13 C22 O11 0.000(11) 9_566 11_556
C12 O13 C22 O11 180.000(7) 11_556 11_556
Zr2 O13 C22 O11 0.000(7) 9_566 11_556
O14 O13 C22 C20 180.00(3) 3_565 .
O11 O13 C22 C20 180.00(2) 9_566 .
O12 O13 C22 C20 180.000(5) 11_556 .
C11 O13 C22 C20 180.000(10) 9_566 .
C12 O13 C22 C20 0.000(5) 11_556 .
Zr2 O13 C22 C20 180.000(2) 9_566 .
O14 O13 C22 C20 180.00(3) 3_565 3_565
O11 O13 C22 C20 180.00(2) 9_566 3_565
O12 O13 C22 C20 180.000(6) 11_556 3_565
C11 O13 C22 C20 180.000(10) 9_566 3_565
C12 O13 C22 C20 0.000(4) 11_556 3_565
Zr2 O13 C22 C20 180.000(3) 9_566 3_565
O14 O13 C22 O12 0.00(3) 3_565 11_556
O11 O13 C22 O12 0.00(3) 9_566 11_556
C11 O13 C22 O12 0.000(17) 9_566 11_556
C12 O13 C22 O12 180.000(11) 11_556 11_556
Zr2 O13 C22 O12 0.000(11) 9_566 11_556
O11 O14 C22 C11 0.0(6) 11_556 9_566
O13 O14 C22 C11 180.00(2) 3_565 9_566
O12 O14 C22 C11 0.00(2) 9_566 9_566
C12 O14 C22 C11 180.000(10) 9_566 9_566
Zr2 O14 C22 C11 0.000(8) 11_556 9_566
O11 O14 C22 C12 180.0(6) 11_556 9_566
O13 O14 C22 C12 0.00(2) 3_565 9_566
O12 O14 C22 C12 180.00(2) 9_566 9_566
C11 O14 C22 C12 180.000(17) 9_566 9_566
Zr2 O14 C22 C12 180.000(5) 11_556 9_566
O11 O14 C22 C12 180.0(6) 11_556 11_556
O13 O14 C22 C12 0.00(2) 3_565 11_556
O12 O14 C22 C12 180.00(2) 9_566 11_556
C11 O14 C22 C12 180.000(18) 9_566 11_556
C12 O14 C22 C12 0.000(7) 9_566 11_556
Zr2 O14 C22 C12 180.000(6) 11_556 11_556
O11 O14 C22 O13 0.0(6) 11_556 .
O13 O14 C22 O13 180.00(2) 3_565 .
O12 O14 C22 O13 0.00(2) 9_566 .
C11 O14 C22 O13 0.000(18) 9_566 .
C12 O14 C22 O13 180.000(9) 9_566 .
Zr2 O14 C22 O13 0.000(9) 11_556 .
O11 O14 C22 O13 180.0(6) 11_556 3_565
O12 O14 C22 O13 180.00(3) 9_566 3_565
C11 O14 C22 O13 180.00(3) 9_566 3_565
C12 O14 C22 O13 0.00(3) 9_566 3_565
Zr2 O14 C22 O13 180.00(3) 11_556 3_565
O11 O14 C22 O14 0.0(6) 11_556 3_565
O13 O14 C22 O14 180.00(2) 3_565 3_565
O12 O14 C22 O14 0.00(2) 9_566 3_565
C11 O14 C22 O14 0.000(18) 9_566 3_565
C12 O14 C22 O14 180.000(7) 9_566 3_565
Zr2 O14 C22 O14 0.000(8) 11_556 3_565
O11 O14 C22 O11 0.0(6) 11_556 9_566
O13 O14 C22 O11 180.00(2) 3_565 9_566
O12 O14 C22 O11 0.00(2) 9_566 9_566
C11 O14 C22 O11 0.000(18) 9_566 9_566
C12 O14 C22 O11 180.000(8) 9_566 9_566
Zr2 O14 C22 O11 0.000(7) 11_556 9_566
O13 O14 C22 O11 180.0(6) 3_565 11_556
O12 O14 C22 O11 0.0(6) 9_566 11_556
C11 O14 C22 O11 0.0(6) 9_566 11_556
C12 O14 C22 O11 180.0(6) 9_566 11_556
Zr2 O14 C22 O11 0.0(6) 11_556 11_556
O11 O14 C22 C20 180.0(6) 11_556 .
O13 O14 C22 C20 0.00(2) 3_565 .
O12 O14 C22 C20 180.00(2) 9_566 .
C11 O14 C22 C20 180.000(18) 9_566 .
C12 O14 C22 C20 0.000(9) 9_566 .
Zr2 O14 C22 C20 180.000(6) 11_556 .
O11 O14 C22 C20 180.0(6) 11_556 3_565
O13 O14 C22 C20 0.00(2) 3_565 3_565
O12 O14 C22 C20 180.00(2) 9_566 3_565
C11 O14 C22 C20 180.000(17) 9_566 3_565
C12 O14 C22 C20 0.000(7) 9_566 3_565
Zr2 O14 C22 C20 180.000(6) 11_556 3_565
O11 O14 C22 O12 0.0(6) 11_556 11_556
O13 O14 C22 O12 180.00(2) 3_565 11_556
O12 O14 C22 O12 0.00(2) 9_566 11_556
C11 O14 C22 O12 0.000(18) 9_566 11_556
C12 O14 C22 O12 180.000(8) 9_566 11_556
Zr2 O14 C22 O12 0.000(7) 11_556 11_556
C20 C20 C22 C11 180.00(3) 3_565 9_566
C12 C20 C22 C11 0.00(3) 9_566 9_566
C12 C20 C22 C11 180.00(3) 11_556 9_566
C17 C20 C22 C11 0.00(3) 11_556 9_566
C21 C20 C22 C11 0.00(3) 3_565 9_566
C17 C20 C22 C11 180.00(3) 9_566 9_566
C13 C20 C22 C11 0.00(3) 9_566 9_566
C21 C20 C22 C11 180.00(3) . 9_566
C19 C20 C22 C11 0.00(3) . 9_566
C13 C20 C22 C11 180.00(3) 11_556 9_566
C16 C20 C22 C11 0.00(4) 11_556 9_566
C20 C20 C22 C12 180.00(3) 3_565 9_566
C12 C20 C22 C12 180.00(3) 11_556 9_566
C17 C20 C22 C12 0.00(3) 11_556 9_566
C21 C20 C22 C12 0.00(3) 3_565 9_566
C17 C20 C22 C12 180.00(3) 9_566 9_566
C13 C20 C22 C12 0.00(3) 9_566 9_566
C21 C20 C22 C12 180.00(3) . 9_566
C19 C20 C22 C12 0.00(3) . 9_566
C13 C20 C22 C12 180.00(3) 11_556 9_566
C16 C20 C22 C12 0.00(2) 11_556 9_566
C20 C20 C22 C12 0.000(6) 3_565 11_556
C12 C20 C22 C12 180.000(16) 9_566 11_556
C17 C20 C22 C12 180.000(7) 11_556 11_556
C21 C20 C22 C12 180.000(9) 3_565 11_556
C17 C20 C22 C12 0.000(6) 9_566 11_556
C13 C20 C22 C12 180.000(6) 9_566 11_556
C21 C20 C22 C12 0.000(5) . 11_556
C19 C20 C22 C12 180.000(7) . 11_556
C13 C20 C22 C12 0.000(6) 11_556 11_556
C16 C20 C22 C12 180.00(2) 11_556 11_556
C20 C20 C22 O13 0.000(5) 3_565 .
C12 C20 C22 O13 180.00(2) 9_566 .
C12 C20 C22 O13 0.000(8) 11_556 .
C17 C20 C22 O13 180.000(8) 11_556 .
C21 C20 C22 O13 180.000(9) 3_565 .
C17 C20 C22 O13 0.000(5) 9_566 .
C13 C20 C22 O13 180.000(8) 9_566 .
C21 C20 C22 O13 0.000(5) . .
C19 C20 C22 O13 180.000(7) . .
C13 C20 C22 O13 0.000(4) 11_556 .
C16 C20 C22 O13 180.00(2) 11_556 .
C20 C20 C22 O13 180.000(6) 3_565 3_565
C12 C20 C22 O13 0.000(19) 9_566 3_565
C12 C20 C22 O13 180.000(7) 11_556 3_565
C17 C20 C22 O13 0.000(6) 11_556 3_565
C21 C20 C22 O13 0.000(7) 3_565 3_565
C17 C20 C22 O13 180.000(6) 9_566 3_565
C13 C20 C22 O13 0.000(6) 9_566 3_565
C21 C20 C22 O13 180.000(6) . 3_565
C19 C20 C22 O13 0.000(6) . 3_565
C13 C20 C22 O13 180.000(6) 11_556 3_565
C16 C20 C22 O13 0.00(2) 11_556 3_565
C20 C20 C22 O14 180.000(8) 3_565 .
C12 C20 C22 O14 0.00(2) 9_566 .
C12 C20 C22 O14 180.000(10) 11_556 .
C17 C20 C22 O14 0.000(8) 11_556 .
C21 C20 C22 O14 0.000(7) 3_565 .
C17 C20 C22 O14 180.000(7) 9_566 .
C13 C20 C22 O14 0.000(6) 9_566 .
C21 C20 C22 O14 180.000(7) . .
C19 C20 C22 O14 0.000(6) . .
C13 C20 C22 O14 180.000(6) 11_556 .
C16 C20 C22 O14 0.00(2) 11_556 .
C20 C20 C22 O14 0.000(8) 3_565 3_565
C12 C20 C22 O14 180.00(2) 9_566 3_565
C12 C20 C22 O14 0.000(9) 11_556 3_565
C17 C20 C22 O14 180.000(9) 11_556 3_565
C21 C20 C22 O14 180.000(8) 3_565 3_565
C17 C20 C22 O14 0.000(8) 9_566 3_565
C13 C20 C22 O14 180.000(9) 9_566 3_565
C21 C20 C22 O14 0.000(8) . 3_565
C19 C20 C22 O14 180.000(9) . 3_565
C13 C20 C22 O14 0.000(8) 11_556 3_565
C16 C20 C22 O14 180.00(2) 11_556 3_565
C20 C20 C22 O11 0.000(8) 3_565 9_566
C12 C20 C22 O11 180.00(2) 9_566 9_566
C12 C20 C22 O11 0.000(9) 11_556 9_566
C17 C20 C22 O11 180.000(7) 11_556 9_566
C21 C20 C22 O11 180.000(8) 3_565 9_566
C17 C20 C22 O11 0.000(8) 9_566 9_566
C13 C20 C22 O11 180.000(7) 9_566 9_566
C21 C20 C22 O11 0.000(8) . 9_566
C19 C20 C22 O11 180.000(7) . 9_566
C13 C20 C22 O11 0.000(7) 11_556 9_566
C16 C20 C22 O11 180.00(2) 11_556 9_566
C20 C20 C22 O11 180.000(7) 3_565 11_556
C12 C20 C22 O11 0.00(2) 9_566 11_556
C12 C20 C22 O11 180.000(8) 11_556 11_556
C17 C20 C22 O11 0.000(6) 11_556 11_556
C21 C20 C22 O11 0.000(8) 3_565 11_556
C17 C20 C22 O11 180.000(6) 9_566 11_556
C13 C20 C22 O11 0.000(6) 9_566 11_556
C21 C20 C22 O11 180.000(5) . 11_556
C19 C20 C22 O11 0.000(6) . 11_556
C13 C20 C22 O11 180.000(6) 11_556 11_556
C16 C20 C22 O11 0.00(2) 11_556 11_556
C12 C20 C22 C20 180.00(2) 9_566 3_565
C12 C20 C22 C20 0.000(11) 11_556 3_565
C17 C20 C22 C20 180.000(9) 11_556 3_565
C21 C20 C22 C20 180.000(11) 3_565 3_565
C17 C20 C22 C20 0.000(8) 9_566 3_565
C13 C20 C22 C20 180.000(7) 9_566 3_565
C21 C20 C22 C20 0.000(7) . 3_565
C19 C20 C22 C20 180.000(7) . 3_565
C13 C20 C22 C20 0.000(8) 11_556 3_565
C16 C20 C22 C20 180.00(3) 11_556 3_565
C20 C20 C22 O12 0.000(10) 3_565 11_556
C12 C20 C22 O12 180.00(2) 9_566 11_556
C12 C20 C22 O12 0.000(10) 11_556 11_556
C17 C20 C22 O12 180.000(9) 11_556 11_556
C21 C20 C22 O12 180.000(10) 3_565 11_556
C17 C20 C22 O12 0.000(10) 9_566 11_556
C13 C20 C22 O12 180.000(9) 9_566 11_556
C21 C20 C22 O12 0.000(10) . 11_556
C19 C20 C22 O12 180.000(9) . 11_556
C13 C20 C22 O12 0.000(9) 11_556 11_556
C16 C20 C22 O12 180.00(2) 11_556 11_556
O12 Zr2 O31 C31 180.000(1) 3_565 .
O11 Zr2 O31 C31 180.000(2) . .
O2S Zr2 O31 C31 37.2(3) 13 .
O2S Zr2 O31 C31 -37.2(3) . .
O1S Zr2 O31 C31 69.9(9) 3_565 .
O1S Zr2 O31 C31 -69.9(9) . .
O2 Zr2 O31 C31 -117.7(3) . .
O2 Zr2 O31 C31 117.7(3) 13 .
O14 Zr2 O31 C31 180.000(2) 11_556 .
O13 Zr2 O31 C31 180.000(2) 9_566 .
Zr2 Zr2 O31 C31 0.000(6) 3_565 .
Zr2 O31 C31 O31 0.000(2) . 11
Zr2 O31 C31 C32 161.9(6) . .
Zr2 O31 C31 C32 -161.9(6) . 13
O31 C31 C32 C32 -98.6(5) 11 13
O31 C31 C32 C32 98.6(5) . 13
O31 C31 C32 C33 167.7(10) 11 .
O31 C31 C32 C33 4.9(12) . .
C32 C31 C32 C33 -93.7(10) 13 .
O31 C31 C32 C33 -4.9(12) 11 11
O31 C31 C32 C33 -167.7(10) . 11
C32 C31 C32 C33 93.7(10) 13 11
O31 C31 C32 C33 -54.3(9) 11 6
O31 C31 C32 C33 142.8(5) . 6
C32 C31 C32 C33 44.2(6) 13 6
O31 C31 C32 C33 -142.8(5) 11 13
O31 C31 C32 C33 54.3(9) . 13
C32 C31 C32 C33 -44.2(6) 13 13
C32 C32 C33 C33 -0.001(1) 13 13
C33 C32 C33 C33 -109.7(14) 11 13
C31 C32 C33 C33 77.7(8) . 13
C33 C32 C33 C33 -50.6(7) 6 13
C32 C32 C33 C34 102.2(8) 13 .
C33 C32 C33 C34 -7(2) 11 .
C31 C32 C33 C34 179.9(3) . .
C33 C32 C33 C34 51.6(13) 6 .
C33 C32 C33 C34 102.2(8) 13 .
C33 C32 C33 C32 -109.7(14) 11 13
C31 C32 C33 C32 77.7(8) . 13
C33 C32 C33 C32 -50.6(7) 6 13
C33 C32 C33 C32 0.001(1) 13 13
C34B C35 C36 C37 89(100) 11 .
C34 C35 C36 C37 -89(100) . .
C34 C35 C36 C37 89(100) 11 .
C35 C36 C37 C37 180(100) . 5
C33 C33 C34 C35 86.5(10) 13 .
C32 C33 C34 C35 0.2(6) . .
C32 C33 C34 C35 32.7(10) 13 .
C33 C33 C34 C38 -88(2) 13 .
C32 C33 C34 C38 -175(2) . .
C32 C33 C34 C38 -142(3) 13 .
C34B C35 C34 C33 7(2) 11 .
C34 C35 C34 C33 7(2) 11 .
C36 C35 C34 C33 -175(2) . .
C34B C35 C34 C38 -178(3) 11 .
C34 C35 C34 C38 -178(3) 11 .
C36 C35 C34 C38 0.0(2) . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.232 0.186 -0.024 5897 1494 ' '
