#------------------------------------------------------------------------------
#$Date: 2016-11-06 03:47:42 +0200 (Sun, 06 Nov 2016) $
#$Revision: 187927 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/51/4125140.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_4125140
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 O4] [(C16 H12 O4)4] [C12 H6 O4]'
_chemical_formula_sum            'C76 H54 O32 Zr6'
_chemical_formula_weight         2026.51
_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                   23.679(8)
_cell_length_b                   23.679
_cell_length_c                   16.816(6)
_cell_measurement_reflns_used    3603
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      20.2239
_cell_measurement_theta_min      2.2728
_cell_volume                     9429(5)
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.1095
_diffrn_reflns_av_sigmaI/netI    0.0579
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            49126
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    0.356
_exptl_absorpt_correction_T_max  0.9653
_exptl_absorpt_correction_T_min  0.9653
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    0.714
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Blocky
_exptl_crystal_F_000             2012
_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         1.872
_refine_diff_density_min         -1.161
_refine_diff_density_rms         0.085
_refine_ls_extinction_coef       0.00028(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     155
_refine_ls_number_reflns         5060
_refine_ls_number_restraints     47
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0728
_refine_ls_R_factor_gt           0.0497
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0300P)²+22.5000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1097
_refine_ls_wR_factor_ref         0.1154
_reflns_number_gt                3764
_reflns_number_total             5060
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja6b04501_si_002.cif
_cod_data_source_block           Compound3
_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        9428(4)
_cod_original_sg_symbol_H-M      P4(2)/mmc
_cod_database_code               4125140
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
Zr1 Zr 1.0000 0.42651(2) 0.60484(3) 0.02484(14) Uani 1 2 d SD
Zr2 Zr 0.89626(2) 0.5000 0.5000 0.01409(15) Uani 1 4 d S
O1 O 0.94965(18) 0.4254(2) 0.5000 0.0646(15) Uani 1 2 d S
O2 O 0.94876(16) 0.5000 0.6019(3) 0.0545(13) Uani 1 2 d S
O3 O 0.84902(10) 0.44324(10) 0.57914(15) 0.0319(6) Uani 1 1 d .
O4 O 0.91613(11) 0.39730(13) 0.64920(19) 0.0567(9) Uani 1 1 d .
O1S O 1.0000 0.33391(18) 0.5980(3) 0.0721(15) Uani 1 2 d S
C1 C 0.86588(15) 0.40727(17) 0.6295(2) 0.0430(11) Uani 1 1 d D
C2 C 0.82152(16) 0.37037(19) 0.6673(3) 0.0573(14) Uani 1 1 d D
C3 C 0.76711(19) 0.3717(2) 0.6402(3) 0.0712(17) Uani 1 1 d .
H3A H 0.7572 0.3970 0.5986 0.085 Uiso 1 1 calc R
C4 C 0.7263(2) 0.3369(2) 0.6726(4) 0.089(2) Uani 1 1 d .
C5 C 0.7418(2) 0.2999(2) 0.7326(4) 0.0803(19) Uani 1 1 d .
C6 C 0.7958(2) 0.2991(3) 0.7607(4) 0.116(3) Uani 1 1 d .
H6A H 0.8057 0.2751 0.8038 0.139 Uiso 1 1 calc R
C7 C 0.8366(2) 0.3339(2) 0.7253(4) 0.097(2) Uani 1 1 d .
H7A H 0.8748 0.3318 0.7421 0.116 Uiso 1 1 calc R
C8 C 0.6671(3) 0.3361(5) 0.6368(7) 0.245(7) Uani 1 1 d .
H8A H 0.6645 0.3647 0.5948 0.368 Uiso 1 1 calc R
H8B H 0.6393 0.3444 0.6784 0.368 Uiso 1 1 calc R
H8C H 0.6595 0.2987 0.6142 0.368 Uiso 1 1 calc R
C11 C 1.0000 0.5000 0.7668(3) 0.058(3) Uani 0.50 4 d SPD
C12 C 1.0000 0.4901(2) 0.8554(3) 0.058(3) Uani 0.25 2 d SPD
C13 C 1.0000 0.4378(2) 0.8931(3) 0.058(3) Uani 0.25 2 d SPD
H13A H 1.0000 0.4029 0.8641 0.069 Uiso 0.25 2 d SPR
C14 C 1.0000 0.4349(2) 0.9756(3) 0.058(3) Uani 0.25 2 d SPD
H14A H 1.0000 0.3996 0.9999 0.069 Uiso 0.50 4 d SPR
C15 C 1.0000 0.4841(3) 1.0205(3) 0.058(3) Uani 0.25 2 d SPD
C16 C 1.0000 0.5364(3) 0.9829(3) 0.058(3) Uani 0.25 2 d SPD
C17 C 1.0000 0.5394(2) 0.9003(3) 0.058(3) Uani 0.25 2 d SPD
H17A H 1.0000 0.5747 0.8722 0.069 Uiso 0.25 2 d SPR
C18 C 1.0000 0.4812(4) 1.1031(3) 0.058(3) Uani 0.25 2 d SPD
H18A H 1.0000 0.4459 1.1312 0.069 Uiso 0.25 2 d SPR
C19 C 1.0000 0.5304(4) 1.1480(3) 0.058(3) Uani 0.25 2 d SPD
C20 C 1.0000 0.5827(4) 1.1104(4) 0.058(3) Uani 0.25 2 d SPD
H20A H 1.0000 0.6177 1.1393 0.069 Uiso 0.25 2 d SPR
C21 C 1.0000 0.5857(3) 1.0278(4) 0.058(3) Uani 0.25 2 d SPD
H21A H 1.0000 0.6210 1.0000 0.069 Uiso 0.50 4 d SPR
C22 C 1.0000 0.5202(5) 1.2366(3) 0.058(3) Uani 0.25 2 d SPD
O5 O 1.0000 0.4564(2) 0.7213(3) 0.058(3) Uani 0.25 2 d SPD
O6 O 1.0000 0.55063(15) 0.7406(5) 0.058(3) Uani 0.25 2 d SPD
O7 O 1.0000 0.5632(7) 1.2830(5) 0.058(3) Uani 0.25 2 d SPD
O8 O 1.0000 0.4692(6) 1.2622(5) 0.058(3) Uani 0.25 2 d SPD
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zr Zr -2.9673 0.5597 '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
O7 Zr1 O5 12.5(5) 9_767 .
O7 Zr1 O1 145.39(12) 9_767 13_755
O5 Zr1 O1 141.54(11) . 13_755
O7 Zr1 O1 145.39(12) 9_767 .
O5 Zr1 O1 141.54(11) . .
O1 Zr1 O1 68.13(19) 13_755 .
O7 Zr1 O2 85.3(4) 9_767 3_765
O5 Zr1 O2 75.09(17) . 3_765
O1 Zr1 O2 70.76(16) 13_755 3_765
O1 Zr1 O2 108.1(2) . 3_765
O7 Zr1 O2 85.3(4) 9_767 .
O5 Zr1 O2 75.09(17) . .
O1 Zr1 O2 108.1(2) 13_755 .
O1 Zr1 O2 70.76(16) . .
O2 Zr1 O2 69.75(17) 3_765 .
O7 Zr1 O1S 100.3(5) 9_767 .
O5 Zr1 O1S 112.9(2) . .
O1 Zr1 O1S 86.84(18) 13_755 .
O1 Zr1 O1S 86.84(18) . .
O2 Zr1 O1S 144.86(8) 3_765 .
O2 Zr1 O1S 144.86(8) . .
O7 Zr1 O4 73.0(2) 9_767 .
O5 Zr1 O4 77.94(11) . .
O1 Zr1 O4 140.51(12) 13_755 .
O1 Zr1 O4 76.97(14) . .
O2 Zr1 O4 140.43(12) 3_765 .
O2 Zr1 O4 75.70(13) . .
O1S Zr1 O4 73.01(10) . .
O7 Zr1 O4 73.0(2) 9_767 13_755
O5 Zr1 O4 77.94(11) . 13_755
O1 Zr1 O4 76.97(14) 13_755 13_755
O1 Zr1 O4 140.51(12) . 13_755
O2 Zr1 O4 75.70(13) 3_765 13_755
O2 Zr1 O4 140.43(12) . 13_755
O1S Zr1 O4 73.01(10) . 13_755
O4 Zr1 O4 125.76(14) . 13_755
O7 Zr1 O6 6.0(5) 9_767 3_765
O5 Zr1 O6 6.5(2) . 3_765
O1 Zr1 O6 143.97(9) 13_755 3_765
O1 Zr1 O6 143.97(9) . 3_765
O2 Zr1 O6 80.40(16) 3_765 3_765
O2 Zr1 O6 80.40(16) . 3_765
O1S Zr1 O6 106.33(19) . 3_765
O4 Zr1 O6 75.30(10) . 3_765
O4 Zr1 O6 75.30(10) 13_755 3_765
O7 Zr1 O8 17.0(8) 9_767 11_557
O5 Zr1 O8 4.4(4) . 11_557
O1 Zr1 O8 139.4(2) 13_755 11_557
O1 Zr1 O8 139.4(2) . 11_557
O2 Zr1 O8 71.5(3) 3_765 11_557
O2 Zr1 O8 71.5(3) . 11_557
O1S Zr1 O8 117.3(4) . 11_557
O4 Zr1 O8 79.81(18) . 11_557
O4 Zr1 O8 79.81(18) 13_755 11_557
O6 Zr1 O8 11.0(4) 3_765 11_557
O7 Zr1 Zr1 82.7(5) 9_767 3_765
O5 Zr1 Zr1 70.12(15) . 3_765
O1 Zr1 Zr1 90.68(14) 13_755 3_765
O1 Zr1 Zr1 90.68(14) . 3_765
O2 Zr1 Zr1 34.91(8) 3_765 3_765
O2 Zr1 Zr1 34.91(8) . 3_765
O1S Zr1 Zr1 177.01(15) . 3_765
O4 Zr1 Zr1 108.06(9) . 3_765
O4 Zr1 Zr1 108.06(9) 13_755 3_765
O6 Zr1 Zr1 76.66(12) 3_765 3_765
O8 Zr1 Zr1 65.7(3) 11_557 3_765
O2 Zr2 O2 108.1(3) . 11_556
O2 Zr2 O1 70.02(10) . .
O2 Zr2 O1 70.02(10) 11_556 .
O2 Zr2 O1 70.02(10) . 5_566
O2 Zr2 O1 70.02(10) 11_556 5_566
O1 Zr2 O1 108.8(3) . 5_566
O2 Zr2 O3 78.96(12) . .
O2 Zr2 O3 142.10(7) 11_556 .
O1 Zr2 O3 78.41(13) . .
O1 Zr2 O3 142.53(7) 5_566 .
O2 Zr2 O3 142.10(7) . 11_556
O2 Zr2 O3 78.96(12) 11_556 11_556
O1 Zr2 O3 78.41(13) . 11_556
O1 Zr2 O3 142.53(7) 5_566 11_556
O3 Zr2 O3 74.55(14) . 11_556
O2 Zr2 O3 78.96(12) . 14_565
O2 Zr2 O3 142.10(7) 11_556 14_565
O1 Zr2 O3 142.53(7) . 14_565
O1 Zr2 O3 78.41(13) 5_566 14_565
O3 Zr2 O3 75.41(13) . 14_565
O3 Zr2 O3 118.80(13) 11_556 14_565
O2 Zr2 O3 142.10(7) . 5_566
O2 Zr2 O3 78.96(12) 11_556 5_566
O1 Zr2 O3 142.53(7) . 5_566
O1 Zr2 O3 78.41(13) 5_566 5_566
O3 Zr2 O3 118.80(13) . 5_566
O3 Zr2 O3 75.42(13) 11_556 5_566
O3 Zr2 O3 74.55(14) 14_565 5_566
O2 Zr2 Zr1 34.67(6) . .
O2 Zr2 Zr1 89.76(12) 11_556 .
O1 Zr2 Zr1 35.37(7) . .
O1 Zr2 Zr1 89.75(12) 5_566 .
O3 Zr2 Zr1 75.36(7) . .
O3 Zr2 Zr1 111.06(7) 11_556 .
O3 Zr2 Zr1 110.94(7) 14_565 .
O3 Zr2 Zr1 165.83(7) 5_566 .
O2 Zr2 Zr1 34.67(6) . 3_765
O2 Zr2 Zr1 89.76(12) 11_556 3_765
O1 Zr2 Zr1 89.75(12) . 3_765
O1 Zr2 Zr1 35.37(7) 5_566 3_765
O3 Zr2 Zr1 110.94(7) . 3_765
O3 Zr2 Zr1 165.83(7) 11_556 3_765
O3 Zr2 Zr1 75.36(7) 14_565 3_765
O3 Zr2 Zr1 111.06(7) 5_566 3_765
Zr1 Zr2 Zr1 59.84(2) . 3_765
O2 Zr2 Zr1 89.76(12) . 9_766
O2 Zr2 Zr1 34.67(6) 11_556 9_766
O1 Zr2 Zr1 89.75(12) . 9_766
O1 Zr2 Zr1 35.37(7) 5_566 9_766
O3 Zr2 Zr1 165.83(7) . 9_766
O3 Zr2 Zr1 110.94(7) 11_556 9_766
O3 Zr2 Zr1 111.06(7) 14_565 9_766
O3 Zr2 Zr1 75.36(7) 5_566 9_766
Zr1 Zr2 Zr1 90.48(3) . 9_766
Zr1 Zr2 Zr1 60.71(3) 3_765 9_766
O2 Zr2 Zr1 89.76(12) . 11_556
O2 Zr2 Zr1 34.67(6) 11_556 11_556
O1 Zr2 Zr1 35.37(7) . 11_556
O1 Zr2 Zr1 89.75(12) 5_566 11_556
O3 Zr2 Zr1 111.06(7) . 11_556
O3 Zr2 Zr1 75.36(7) 11_556 11_556
O3 Zr2 Zr1 165.83(7) 14_565 11_556
O3 Zr2 Zr1 110.94(7) 5_566 11_556
Zr1 Zr2 Zr1 60.71(3) . 11_556
Zr1 Zr2 Zr1 90.48(3) 3_765 11_556
Zr1 Zr2 Zr1 59.84(2) 9_766 11_556
Zr1 O1 Zr1 111.85(19) . 11_556
Zr1 O1 Zr2 108.45(16) . .
Zr1 O1 Zr2 108.45(16) 11_556 .
Zr2 O2 Zr1 110.75(15) . .
Zr2 O2 Zr1 110.75(15) . 3_765
Zr1 O2 Zr1 110.19(17) . 3_765
C1 O3 Zr2 131.0(2) . .
C1 O4 Zr1 134.1(2) . .
O4 C1 O3 126.9(3) . .
O4 C1 C2 116.1(3) . .
O3 C1 C2 116.9(3) . .
C7 C2 C3 120.3(4) . .
C7 C2 C1 119.4(4) . .
C3 C2 C1 120.2(4) . .
C2 C3 C4 120.8(5) . .
C2 C3 H3A 119.6 . .
C4 C3 H3A 119.6 . .
C3 C4 C5 118.7(5) . .
C3 C4 C8 119.6(6) . .
C5 C4 C8 121.5(5) . .
C6 C5 C4 120.7(4) . .
C6 C5 C5 117.8(5) . 8_666
C4 C5 C5 121.5(5) . 8_666
C5 C6 C7 119.3(5) . .
C5 C6 H6A 120.3 . .
C7 C6 H6A 120.3 . .
C2 C7 C6 120.0(5) . .
C2 C7 H7A 120.0 . .
C6 C7 H7A 120.0 . .
C4 C8 H8A 109.5 . .
C4 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C4 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C22 C11 C22 167(2) 9_767 11_557
C22 C11 O8 27.0(12) 9_767 11_557
C22 C11 O8 139.6(17) 11_557 11_557
C22 C11 O8 139.6(17) 9_767 9_767
C22 C11 O8 27.0(12) 11_557 9_767
O8 C11 O8 112.6(18) 11_557 9_767
C22 C11 O6 153.1(12) 9_767 .
C22 C11 O6 13.4(12) 11_557 .
O8 C11 O6 126.1(10) 11_557 .
O8 C11 O6 13.6(9) 9_767 .
C22 C11 O6 13.4(12) 9_767 3_765
C22 C11 O6 153.1(12) 11_557 3_765
O8 C11 O6 13.6(9) 11_557 3_765
O8 C11 O6 126.1(10) 9_767 3_765
O6 C11 O6 139.7(6) . 3_765
C22 C11 O5 29.8(11) 9_767 .
C22 C11 O5 136.7(13) 11_557 .
O8 C11 O5 2.8(9) 11_557 .
O8 C11 O5 109.7(10) 9_767 .
O6 C11 O5 123.3(3) . .
O6 C11 O5 16.4(5) 3_765 .
C22 C11 O5 136.7(13) 9_767 3_765
C22 C11 O5 29.8(11) 11_557 3_765
O8 C11 O5 109.7(10) 11_557 3_765
O8 C11 O5 2.8(9) 9_767 3_765
O6 C11 O5 16.4(5) . 3_765
O6 C11 O5 123.3(3) 3_765 3_765
O5 C11 O5 106.9(6) . 3_765
C22 C11 C12 87.8(11) 9_767 .
C22 C11 C12 105.6(12) 11_557 .
O8 C11 C12 114.8(9) 11_557 .
O8 C11 C12 132.6(9) 9_767 .
O6 C11 C12 119.1(3) . .
O6 C11 C12 101.2(4) 3_765 .
O5 C11 C12 117.6(2) . .
O5 C11 C12 135.5(4) 3_765 .
C22 C11 C12 105.6(12) 9_767 3_765
C22 C11 C12 87.8(11) 11_557 3_765
O8 C11 C12 132.6(9) 11_557 3_765
O8 C11 C12 114.8(9) 9_767 3_765
O6 C11 C12 101.2(4) . 3_765
O6 C11 C12 119.1(3) 3_765 3_765
O5 C11 C12 135.5(4) . 3_765
O5 C11 C12 117.6(2) 3_765 3_765
C12 C11 C12 17.8(4) . 3_765
C22 C11 C19 123.4(12) 9_767 11_557
C22 C11 C19 70.0(12) 11_557 11_557
O8 C11 C19 150.4(11) 11_557 11_557
O8 C11 C19 97.0(8) 9_767 11_557
O6 C11 C19 83.4(4) . 11_557
O6 C11 C19 136.8(5) 3_765 11_557
O5 C11 C19 153.2(4) . 11_557
O5 C11 C19 99.8(4) 3_765 11_557
C12 C11 C19 35.6(3) . 11_557
C12 C11 C19 17.8(4) 3_765 11_557
C22 C11 C19 70.0(12) 9_767 9_767
C22 C11 C19 123.4(12) 11_557 9_767
O8 C11 C19 97.0(8) 11_557 9_767
O8 C11 C19 150.4(11) 9_767 9_767
O6 C11 C19 136.9(5) . 9_767
O6 C11 C19 83.4(4) 3_765 9_767
O5 C11 C19 99.8(4) . 9_767
O5 C11 C19 153.2(4) 3_765 9_767
C12 C11 C19 17.8(4) . 9_767
C12 C11 C19 35.6(3) 3_765 9_767
C19 C11 C19 53.4(6) 11_557 9_767
C12 C12 C19 173.3(11) 3_765 9_767
C12 C12 C18 106.9(6) 3_765 11_557
C19 C12 C18 79.8(9) 9_767 11_557
C12 C12 C19 3.5(6) 3_765 11_557
C19 C12 C19 169.8(17) 9_767 11_557
C18 C12 C19 110.4(10) 11_557 11_557
C12 C12 C18 45.7(7) 3_765 9_767
C19 C12 C18 141.0(17) 9_767 9_767
C18 C12 C18 61.2(11) 11_557 9_767
C19 C12 C18 49.2(4) 11_557 9_767
C12 C12 C17 132.7(4) 3_765 3_765
C19 C12 C17 54.0(13) 9_767 3_765
C18 C12 C17 25.8(8) 11_557 3_765
C19 C12 C17 136.2(6) 11_557 3_765
C18 C12 C17 87.0(4) 9_767 3_765
C12 C12 C17 32.93(12) 3_765 .
C19 C12 C17 153.8(11) 9_767 .
C18 C12 C17 74.0(5) 11_557 .
C19 C12 C17 36.4(6) 11_557 .
C18 C12 C17 12.8(7) 9_767 .
C17 C12 C17 99.8(5) 3_765 .
C12 C12 C13 152.89(11) 3_765 .
C19 C12 C13 33.9(11) 9_767 .
C18 C12 C13 46.0(5) 11_557 .
C19 C12 C13 156.3(6) 11_557 .
C18 C12 C13 107.2(7) 9_767 .
C17 C12 C13 20.1(5) 3_765 .
C17 C12 C13 119.96(7) . .
C12 C12 C11 81.09(19) 3_765 .
C19 C12 C11 92.2(11) 9_767 .
C18 C12 C11 172.0(6) 11_557 .
C19 C12 C11 77.6(6) 11_557 .
C18 C12 C11 126.8(8) 9_767 .
C17 C12 C11 146.2(6) 3_765 .
C17 C12 C11 114.0(2) . .
C13 C12 C11 126.0(2) . .
C12 C12 C22 99.0(6) 3_765 9_767
C19 C12 C22 74.3(10) 9_767 9_767
C18 C12 C22 154.1(5) 11_557 9_767
C19 C12 C22 95.5(9) 11_557 9_767
C18 C12 C22 144.7(12) 9_767 9_767
C17 C12 C22 128.3(9) 3_765 9_767
C17 C12 C22 131.9(5) . 9_767
C13 C12 C22 108.1(5) . 9_767
C11 C12 C22 17.9(5) . 9_767
C12 C12 C22 65.3(4) 3_765 11_557
C19 C12 C22 108.0(14) 9_767 11_557
C18 C12 C22 172.2(10) 11_557 11_557
C19 C12 C22 61.8(5) 11_557 11_557
C18 C12 C22 111.0(6) 9_767 11_557
C17 C12 C22 162.0(5) 3_765 11_557
C17 C12 C22 98.2(5) . 11_557
C13 C12 C22 141.8(5) . 11_557
C11 C12 C22 15.8(4) . 11_557
C22 C12 C22 33.7(9) 9_767 11_557
C12 C12 C13 20.37(13) 3_765 3_765
C19 C12 C13 166.4(12) 9_767 3_765
C18 C12 C13 86.5(7) 11_557 3_765
C19 C12 C13 23.8(5) 11_557 3_765
C18 C12 C13 25.4(6) 9_767 3_765
C17 C12 C13 112.4(3) 3_765 3_765
C17 C12 C13 12.6(2) . 3_765
C13 C12 C13 132.5(2) . 3_765
C11 C12 C13 101.5(3) . 3_765
C22 C12 C13 119.3(7) 9_767 3_765
C22 C12 C13 85.7(4) 11_557 3_765
C20 C13 C17 174.0(12) 9_767 3_765
C20 C13 C19 130.6(14) 9_767 9_767
C17 C13 C19 55.3(7) 3_765 9_767
C20 C13 C18 176.8(16) 9_767 11_557
C17 C13 C18 9.2(6) 3_765 11_557
C19 C13 C18 46.2(5) 9_767 11_557
C20 C13 C14 93.9(11) 9_767 .
C17 C13 C14 80.2(4) 3_765 .
C19 C13 C14 135.5(6) 9_767 .
C18 C13 C14 89.3(5) 11_557 .
C20 C13 C12 146.1(11) 9_767 .
C17 C13 C12 39.8(4) 3_765 .
C19 C13 C12 15.5(5) 9_767 .
C18 C13 C12 30.7(5) 11_557 .
C14 C13 C12 120.00(7) . .
C20 C13 C21 74.1(12) 9_767 9_767
C17 C13 C21 100.0(6) 3_765 9_767
C19 C13 C21 155.3(10) 9_767 9_767
C18 C13 C21 109.1(8) 11_557 9_767
C14 C13 C21 19.8(5) . 9_767
C12 C13 C21 139.8(5) . 9_767
C20 C13 C16 118.8(13) 9_767 3_765
C17 C13 C16 55.3(5) 3_765 3_765
C19 C13 C16 110.6(9) 9_767 3_765
C18 C13 C16 64.4(6) 11_557 3_765
C14 C13 C16 24.9(4) . 3_765
C12 C13 C16 95.1(4) . 3_765
C21 C13 C16 44.71(17) 9_767 3_765
C20 C13 C12 152.8(11) 9_767 3_765
C17 C13 C12 33.1(5) 3_765 3_765
C19 C13 C12 22.2(5) 9_767 3_765
C18 C13 C12 24.0(5) 11_557 3_765
C14 C13 C12 113.27(14) . 3_765
C12 C13 C12 6.73(12) . 3_765
C21 C13 C12 133.1(5) 9_767 3_765
C16 C13 C12 88.4(5) 3_765 3_765
C20 C13 C15 133.8(13) 9_767 11_557
C17 C13 C15 40.2(4) 3_765 11_557
C19 C13 C15 95.6(5) 9_767 11_557
C18 C13 C15 49.4(3) 11_557 11_557
C14 C13 C15 39.95(18) . 11_557
C12 C13 C15 80.05(18) . 11_557
C21 C13 C15 59.8(5) 9_767 11_557
C16 C13 C15 15.1(4) 3_765 11_557
C12 C13 C15 73.3(2) 3_765 11_557
C20 C13 C18 175.1(14) 9_767 9_767
C17 C13 C18 10.8(5) 3_765 9_767
C19 C13 C18 44.5(5) 9_767 9_767
C18 C13 C18 1.7(3) 11_557 9_767
C14 C13 C18 91.0(3) . 9_767
C12 C13 C18 29.0(3) . 9_767
C21 C13 C18 110.8(6) 9_767 9_767
C16 C13 C18 66.1(4) 3_765 9_767
C12 C13 C18 22.3(3) 3_765 9_767
C15 C13 C18 51.03(13) 11_557 9_767
C20 C13 H13A 23.7 9_767 .
C17 C13 H13A 162.2 3_765 .
C19 C13 H13A 106.9 9_767 .
C18 C13 H13A 153.1 11_557 .
C14 C13 H13A 117.6 . .
C12 C13 H13A 122.4 . .
C21 C13 H13A 97.8 9_767 .
C16 C13 H13A 142.5 3_765 .
C12 C13 H13A 129.1 3_765 .
C15 C13 H13A 157.6 11_557 .
C18 C13 H13A 151.4 9_767 .
C21 C14 C16 176.6(12) 9_767 3_765
C21 C14 C14 96.8(11) 9_767 11_557
C16 C14 C14 79.8(3) 3_765 11_557
C21 C14 C16 141.0(17) 9_767 9_767
C16 C14 C16 35.5(7) 3_765 9_767
C14 C14 C16 44.3(7) 11_557 9_767
C21 C14 C21 67.8(16) 9_767 3_765
C16 C14 C21 108.8(9) 3_765 3_765
C14 C14 C21 29.0(8) 11_557 3_765
C16 C14 C21 73.3(5) 9_767 3_765
C21 C14 C15 176.4(15) 9_767 11_557
C16 C14 C15 7.0(5) 3_765 11_557
C14 C14 C15 86.8(5) 11_557 11_557
C16 C14 C15 42.6(6) 9_767 11_557
C21 C14 C15 115.8(9) 3_765 11_557
C21 C14 C13 86.1(11) 9_767 .
C16 C14 C13 97.3(2) 3_765 .
C14 C14 C13 177.11(11) 11_557 .
C16 C14 C13 132.8(7) 9_767 .
C21 C14 C13 153.9(8) 3_765 .
C15 C14 C13 90.3(5) 11_557 .
C21 C14 C15 153.8(11) 9_767 .
C16 C14 C15 22.7(2) 3_765 .
C14 C14 C15 57.07(12) 11_557 .
C16 C14 C15 12.8(7) 9_767 .
C21 C14 C15 86.1(8) 3_765 .
C15 C14 C15 29.8(5) 11_557 .
C13 C14 C15 120.03(7) . .
C21 C14 C17 109.0(11) 9_767 3_765
C16 C14 C17 74.5(5) 3_765 3_765
C14 C14 C17 154.3(4) 11_557 3_765
C16 C14 C17 110.0(10) 9_767 3_765
C21 C14 C17 176.7(12) 3_765 3_765
C15 C14 C17 67.4(6) 11_557 3_765
C13 C14 C17 22.8(4) . 3_765
C15 C14 C17 97.2(4) . 3_765
C21 C14 C20 67.2(10) 9_767 9_767
C16 C14 C20 116.3(6) 3_765 9_767
C14 C14 C20 163.9(6) 11_557 9_767
C16 C14 C20 151.8(12) 9_767 9_767
C21 C14 C20 134.9(13) 3_765 9_767
C15 C14 C20 109.2(8) 11_557 9_767
C13 C14 C20 19.0(5) . 9_767
C15 C14 C20 139.0(5) . 9_767
C17 C14 C20 41.8(2) 3_765 9_767
C21 C14 C18 122.9(13) 9_767 11_557
C16 C14 C18 60.6(4) 3_765 11_557
C14 C14 C18 140.4(2) 11_557 11_557
C16 C14 C18 96.1(5) 9_767 11_557
C21 C14 C18 169.4(7) 3_765 11_557
C15 C14 C18 53.5(3) 11_557 11_557
C13 C14 C18 36.7(2) . 11_557
C15 C14 C18 83.3(3) . 11_557
C17 C14 C18 13.9(5) 3_765 11_557
C20 C14 C18 55.7(7) 9_767 11_557
C21 C14 C15 175.2(14) 9_767 9_767
C16 C14 C15 8.3(3) 3_765 9_767
C14 C14 C15 88.1(3) 11_557 9_767
C16 C14 C15 43.8(5) 9_767 9_767
C21 C14 C15 117.1(8) 3_765 9_767
C15 C14 C15 1.24(18) 11_557 9_767
C13 C14 C15 89.0(3) . 9_767
C15 C14 C15 31.0(3) . 9_767
C17 C14 C15 66.2(5) 3_765 9_767
C20 C14 C15 108.0(7) 9_767 9_767
C18 C14 C15 52.30(14) 11_557 9_767
C21 C14 H14A 32.9 9_767 .
C16 C14 H14A 143.7 3_765 .
C14 C14 H14A 63.9 11_557 .
C16 C14 H14A 108.2 9_767 .
C21 C14 H14A 34.9 3_765 .
C15 C14 H14A 150.7 11_557 .
C13 C14 H14A 119.0 . .
C15 C14 H14A 121.0 . .
C17 C14 H14A 141.8 3_765 .
C20 C14 H14A 100.0 9_767 .
C18 C14 H14A 155.7 11_557 .
C15 C14 H14A 152.0 9_767 .
C16 C15 C15 83.2(11) 9_767 11_557
C16 C15 C15 173.2(11) 9_767 3_765
C15 C15 C15 90.001(3) 11_557 3_765
C16 C15 C16 45.7(11) 9_767 3_765
C15 C15 C16 37.5(7) 11_557 3_765
C15 C15 C16 127.5(7) 3_765 3_765
C16 C15 C15 130.6(14) 9_767 9_767
C15 C15 C15 47.4(6) 11_557 9_767
C15 C15 C15 42.6(6) 3_765 9_767
C16 C15 C15 84.9(5) 3_765 9_767
C16 C15 C14 9.9(8) 9_767 11_557
C15 C15 C14 93.2(5) 11_557 11_557
C15 C15 C14 176.8(5) 3_765 11_557
C16 C15 C14 55.6(8) 3_765 11_557
C15 C15 C14 140.6(10) 9_767 11_557
C16 C15 C16 170.6(16) 9_767 11_557
C15 C15 C16 87.3(4) 11_557 11_557
C15 C15 C16 2.7(4) 3_765 11_557
C16 C15 C16 124.9(9) 3_765 11_557
C15 C15 C16 39.9(6) 9_767 11_557
C14 C15 C16 179.5(9) 11_557 11_557
C16 C15 C18 93.9(11) 9_767 .
C15 C15 C18 177.09(12) 11_557 .
C15 C15 C18 92.91(12) 3_765 .
C16 C15 C18 139.6(6) 3_765 .
C15 C15 C18 135.5(6) 9_767 .
C14 C15 C18 83.9(5) 11_557 .
C16 C15 C18 95.6(5) 11_557 .
C16 C15 C14 26.2(11) 9_767 .
C15 C15 C14 57.07(12) 11_557 .
C15 C15 C14 147.07(11) 3_765 .
C16 C15 C14 19.5(6) 3_765 .
C15 C15 C14 104.5(6) 9_767 .
C14 C15 C14 36.1(5) 11_557 .
C16 C15 C14 144.4(5) 11_557 .
C18 C15 C14 120.02(7) . .
C16 C15 C16 146.1(11) 9_767 .
C15 C15 C16 62.90(11) 11_557 .
C15 C15 C16 27.10(11) 3_765 .
C16 C15 C16 100.4(6) 3_765 .
C15 C15 C16 15.5(6) 9_767 .
C14 C15 C16 156.1(5) 11_557 .
C16 C15 C16 24.4(5) 11_557 .
C18 C15 C16 120.01(6) . .
C14 C15 C16 119.97(6) . .
C16 C15 C17 74.0(12) 9_767 9_767
C15 C15 C17 157.3(4) 11_557 9_767
C15 C15 C17 112.7(4) 3_765 9_767
C16 C15 C17 119.8(11) 3_765 9_767
C15 C15 C17 155.3(10) 9_767 9_767
C14 C15 C17 64.1(5) 11_557 9_767
C16 C15 C17 115.4(6) 11_557 9_767
C18 C15 C17 19.8(5) . 9_767
C14 C15 C17 100.2(5) . 9_767
C16 C15 C17 139.8(5) . 9_767
C16 C15 C18 127.4(14) 9_767 3_765
C15 C15 C18 149.4(5) 11_557 3_765
C15 C15 C18 59.4(5) 3_765 3_765
C16 C15 C18 173.1(11) 3_765 3_765
C15 C15 C18 102.0(10) 9_767 3_765
C14 C15 C18 117.5(6) 11_557 3_765
C16 C15 C18 62.0(5) 11_557 3_765
C18 C15 C18 33.5(6) . 3_765
C14 C15 C18 153.6(6) . 3_765
C16 C15 C18 86.5(6) . 3_765
C17 C15 C18 53.3(2) 9_767 3_765
C15 C16 C16 96.8(11) 9_767 11_557
C15 C16 C14 163.0(12) 9_767 3_765
C16 C16 C14 100.2(3) 11_557 3_765
C15 C16 C15 59.2(15) 9_767 3_765
C16 C16 C15 37.5(7) 11_557 3_765
C14 C16 C15 137.7(7) 3_765 3_765
C15 C16 C14 141.0(17) 9_767 9_767
C16 C16 C14 44.3(7) 11_557 9_767
C14 C16 C14 55.9(7) 3_765 9_767
C15 C16 C14 81.8(4) 3_765 9_767
C15 C16 C21 164.5(16) 9_767 11_557
C16 C16 C21 98.8(5) 11_557 11_557
C14 C16 C21 1.4(5) 3_765 11_557
C15 C16 C21 136.3(7) 3_765 11_557
C14 C16 C21 54.5(4) 9_767 11_557
C15 C16 C15 4.1(7) 9_767 11_557
C16 C16 C15 92.7(4) 11_557 11_557
C14 C16 C15 167.1(6) 3_765 11_557
C15 C16 C15 55.1(9) 3_765 11_557
C14 C16 C15 136.9(10) 9_767 11_557
C21 C16 C15 168.6(9) 11_557 11_557
C15 C16 C17 86.1(11) 9_767 .
C16 C16 C17 177.09(12) 11_557 .
C14 C16 C17 76.9(4) 3_765 .
C15 C16 C17 145.4(7) 3_765 .
C14 C16 C17 132.8(7) 9_767 .
C21 C16 C17 78.3(6) 11_557 .
C15 C16 C17 90.2(4) 11_557 .
C15 C16 C15 33.9(11) 9_767 .
C16 C16 C15 62.91(11) 11_557 .
C14 C16 C15 163.1(4) 3_765 .
C15 C16 C15 25.4(7) 3_765 .
C14 C16 C15 107.2(7) 9_767 .
C21 C16 C15 161.7(6) 11_557 .
C15 C16 C15 29.8(4) 11_557 .
C17 C16 C15 120.00(7) . .
C15 C16 C21 153.8(11) 9_767 .
C16 C16 C21 57.08(12) 11_557 .
C14 C16 C21 43.1(4) 3_765 .
C15 C16 C21 94.6(7) 3_765 .
C14 C16 C21 12.8(7) 9_767 .
C21 C16 C21 41.7(6) 11_557 .
C15 C16 C21 149.7(4) 11_557 .
C17 C16 C21 120.01(9) . .
C15 C16 C21 119.98(7) . .
C15 C16 C18 67.2(10) 9_767 9_767
C16 C16 C18 164.0(6) 11_557 9_767
C14 C16 C18 95.9(7) 3_765 9_767
C15 C16 C18 126.4(12) 3_765 9_767
C14 C16 C18 151.8(12) 9_767 9_767
C21 C16 C18 97.3(10) 11_557 9_767
C15 C16 C18 71.3(5) 11_557 9_767
C17 C16 C18 19.0(5) . 9_767
C15 C16 C18 101.1(5) . 9_767
C21 C16 C18 139.0(5) . 9_767
C15 C16 C13 105.2(11) 9_767 3_765
C16 C16 C13 158.0(3) 11_557 3_765
C14 C16 C13 57.8(4) 3_765 3_765
C15 C16 C13 164.5(10) 3_765 3_765
C14 C16 C13 113.7(9) 9_767 3_765
C21 C16 C13 59.2(7) 11_557 3_765
C15 C16 C13 109.3(5) 11_557 3_765
C17 C16 C13 19.1(3) . 3_765
C15 C16 C13 139.1(3) . 3_765
C21 C16 C13 100.9(3) . 3_765
C18 C16 C13 38.1(3) 9_767 3_765
C18 C17 C13 160.5(13) 9_767 3_765
C18 C17 C19 68.6(12) 9_767 11_557
C13 C17 C19 91.9(3) 3_765 11_557
C18 C17 C12 40.5(11) 9_767 3_765
C13 C17 C12 120.0(6) 3_765 3_765
C19 C17 C12 28.1(7) 11_557 3_765
C18 C17 C20 163.3(17) 9_767 11_557
C13 C17 C20 2.8(6) 3_765 11_557
C19 C17 C20 94.7(7) 11_557 11_557
C12 C17 C20 122.8(8) 3_765 11_557
C18 C17 C18 4.4(8) 9_767 11_557
C13 C17 C18 164.9(6) 3_765 11_557
C19 C17 C18 73.0(5) 11_557 11_557
C12 C17 C18 44.9(5) 3_765 11_557
C20 C17 C18 167.7(10) 11_557 11_557
C18 C17 C12 26.2(11) 9_767 .
C13 C17 C12 134.3(6) 3_765 .
C19 C17 C12 42.5(6) 11_557 .
C12 C17 C12 14.3(4) 3_765 .
C20 C17 C12 137.1(7) 11_557 .
C18 C17 C12 30.5(4) 11_557 .
C18 C17 C16 93.9(11) 9_767 .
C13 C17 C16 105.6(6) 3_765 .
C19 C17 C16 162.5(6) 11_557 .
C12 C17 C16 134.3(4) 3_765 .
C20 C17 C16 102.8(7) 11_557 .
C18 C17 C16 89.5(4) 11_557 .
C12 C17 C16 120.03(7) . .
C18 C17 C14 122.5(14) 9_767 3_765
C13 C17 C14 77.0(6) 3_765 3_765
C19 C17 C14 168.9(5) 11_557 3_765
C12 C17 C14 163.0(8) 3_765 3_765
C20 C17 C14 74.2(6) 11_557 3_765
C18 C17 C14 118.1(6) 11_557 3_765
C12 C17 C14 148.7(5) . 3_765
C16 C17 C14 28.6(5) . 3_765
C18 C17 C15 74.1(12) 9_767 9_767
C13 C17 C15 125.4(6) 3_765 9_767
C19 C17 C15 142.7(5) 11_557 9_767
C12 C17 C15 114.5(8) 3_765 9_767
C20 C17 C15 122.6(7) 11_557 9_767
C18 C17 C15 69.7(5) 11_557 9_767
C12 C17 C15 100.2(5) . 9_767
C16 C17 C15 19.8(5) . 9_767
C14 C17 C15 48.44(16) 3_765 9_767
C18 C17 C21 139.0(14) 9_767 11_557
C13 C17 C21 60.5(5) 3_765 11_557
C19 C17 C21 152.4(5) 11_557 11_557
C12 C17 C21 179.5(5) 3_765 11_557
C20 C17 C21 57.7(4) 11_557 11_557
C18 C17 C21 134.6(6) 11_557 11_557
C12 C17 C21 165.2(3) . 11_557
C16 C17 C21 45.1(3) . 11_557
C14 C17 C21 16.5(4) 3_765 11_557
C15 C17 C21 64.9(5) 9_767 11_557
C18 C17 C19 19.4(8) 9_767 9_767
C13 C17 C19 141.1(7) 3_765 9_767
C19 C17 C19 49.2(7) 11_557 9_767
C12 C17 C19 21.1(4) 3_765 9_767
C20 C17 C19 143.9(10) 11_557 9_767
C18 C17 C19 23.8(2) 11_557 9_767
C12 C17 C19 6.7(3) . 9_767
C16 C17 C19 113.3(3) . 9_767
C14 C17 C19 141.9(8) 3_765 9_767
C15 C17 C19 93.5(7) 9_767 9_767
C21 C17 C19 158.4(6) 11_557 9_767
C18 C17 H17A 143.7 9_767 .
C13 C17 H17A 16.8 3_765 .
C19 C17 H17A 75.1 11_557 .
C12 C17 H17A 103.3 3_765 .
C20 C17 H17A 19.6 11_557 .
C18 C17 H17A 148.1 11_557 .
C12 C17 H17A 117.6 . .
C16 C17 H17A 122.4 . .
C14 C17 H17A 93.8 3_765 .
C15 C17 H17A 142.2 9_767 .
C21 C17 H17A 77.3 11_557 .
C19 C17 H17A 124.3 9_767 .
C17 C18 C12 113.7(16) 9_767 11_557
C17 C18 C19 77(2) 9_767 3_765
C12 C18 C19 36.9(8) 11_557 3_765
C17 C18 C18 173.2(11) 9_767 3_765
C12 C18 C18 73.1(6) 11_557 3_765
C19 C18 C18 110.0(13) 3_765 3_765
C17 C18 C12 141.0(17) 9_767 9_767
C12 C18 C12 27.3(6) 11_557 9_767
C19 C18 C12 64.2(9) 3_765 9_767
C18 C18 C12 45.7(7) 3_765 9_767
C17 C18 C13 10.4(8) 9_767 11_557
C12 C18 C13 103.3(8) 11_557 11_557
C19 C18 C13 66.5(13) 3_765 11_557
C18 C18 C13 176.4(5) 3_765 11_557
C12 C18 C13 130.7(10) 9_767 11_557
C17 C18 C17 170.8(15) 9_767 11_557
C12 C18 C17 75.5(5) 11_557 11_557
C19 C18 C17 112.4(12) 3_765 11_557
C18 C18 C17 2.4(4) 3_765 11_557
C12 C18 C17 48.1(5) 9_767 11_557
C13 C18 C17 178.8(9) 11_557 11_557
C17 C18 C15 86.1(11) 9_767 .
C12 C18 C15 160.2(7) 11_557 .
C19 C18 C15 163.0(14) 3_765 .
C18 C18 C15 87.10(11) 3_765 .
C12 C18 C15 132.8(7) 9_767 .
C13 C18 C15 96.5(6) 11_557 .
C17 C18 C15 84.7(4) 11_557 .
C17 C18 C19 153.8(11) 9_767 .
C12 C18 C19 40.2(7) 11_557 .
C19 C18 C19 77.0(14) 3_765 .
C18 C18 C19 32.93(12) 3_765 .
C12 C18 C19 12.8(7) 9_767 .
C13 C18 C19 143.5(6) 11_557 .
C17 C18 C19 35.3(4) 11_557 .
C15 C18 C19 120.02(7) . .
C17 C18 C16 67.2(10) 9_767 9_767
C12 C18 C16 179.1(11) 11_557 9_767
C19 C18 C16 144.0(18) 3_765 9_767
C18 C18 C16 106.1(6) 3_765 9_767
C12 C18 C16 151.8(12) 9_767 9_767
C13 C18 C16 77.5(8) 11_557 9_767
C17 C18 C16 103.6(8) 11_557 9_767
C15 C18 C16 19.0(5) . 9_767
C19 C18 C16 139.0(5) . 9_767
C17 C18 C20 11.4(12) 9_767 3_765
C12 C18 C20 102.3(4) 11_557 3_765
C19 C18 C20 65.4(11) 3_765 3_765
C18 C18 C20 175.4(2) 3_765 3_765
C12 C18 C20 129.6(6) 9_767 3_765
C13 C18 C20 1.0(5) 11_557 3_765
C17 C18 C20 177.8(4) 11_557 3_765
C15 C18 C20 97.5(3) . 3_765
C19 C18 C20 142.5(3) . 3_765
C16 C18 C20 78.6(7) 9_767 3_765
C17 C18 C15 113.9(11) 9_767 3_765
C12 C18 C15 132.5(10) 11_557 3_765
C19 C18 C15 169.3(17) 3_765 3_765
C18 C18 C15 59.4(5) 3_765 3_765
C12 C18 C15 105.1(11) 9_767 3_765
C13 C18 C15 124.2(8) 11_557 3_765
C17 C18 C15 57.0(7) 11_557 3_765
C15 C18 C15 27.7(4) . 3_765
C19 C18 C15 92.3(4) . 3_765
C16 C18 C15 46.67(14) 9_767 3_765
C20 C18 C15 125.2(7) 3_765 3_765
C17 C18 H18A 36.3 9_767 .
C12 C18 H18A 77.4 11_557 .
C19 C18 H18A 40.6 3_765 .
C18 C18 H18A 150.5 3_765 .
C12 C18 H18A 104.8 9_767 .
C13 C18 H18A 25.9 11_557 .
C17 C18 H18A 152.9 11_557 .
C15 C18 H18A 122.4 . .
C19 C18 H18A 117.6 . .
C16 C18 H18A 103.4 9_767 .
C20 C18 H18A 24.9 3_765 .
C15 C18 H18A 150.1 3_765 .
C12 C19 C18 63.3(13) 9_767 3_765
C12 C19 C17 97.9(13) 9_767 11_557
C18 C19 C17 34.6(10) 3_765 11_557
C12 C19 C12 3.3(6) 9_767 11_557
C18 C19 C12 66.6(12) 3_765 11_557
C17 C19 C12 101.2(8) 11_557 11_557
C12 C19 C13 130.6(14) 9_767 9_767
C18 C19 C13 67.4(9) 3_765 9_767
C17 C19 C13 32.8(4) 11_557 9_767
C12 C19 C13 133.9(10) 11_557 9_767
C12 C19 C18 26.2(11) 9_767 .
C18 C19 C18 37.1(12) 3_765 .
C17 C19 C18 71.7(4) 11_557 .
C12 C19 C18 29.5(5) 11_557 .
C13 C19 C18 104.5(6) 9_767 .
C12 C19 C20 146.1(11) 9_767 .
C18 C19 C20 82.9(12) 3_765 .
C17 C19 C20 48.3(4) 11_557 .
C12 C19 C20 149.4(5) 11_557 .
C13 C19 C20 15.5(6) 9_767 .
C18 C19 C20 119.97(7) . .
C12 C19 C19 6.8(11) 9_767 3_765
C18 C19 C19 70.0(13) 3_765 3_765
C17 C19 C19 104.6(5) 11_557 3_765
C12 C19 C19 3.5(6) 11_557 3_765
C13 C19 C19 137.4(6) 9_767 3_765
C18 C19 C19 32.93(12) . 3_765
C20 C19 C19 152.90(11) . 3_765
C12 C19 C22 87.5(11) 9_767 .
C18 C19 C22 150.8(12) 3_765 .
C17 C19 C22 174.6(5) 11_557 .
C12 C19 C22 84.2(6) 11_557 .
C13 C19 C22 141.9(6) 9_767 .
C18 C19 C22 113.7(3) . .
C20 C19 C22 126.3(2) . .
C19 C19 C22 80.8(3) 3_765 .
C12 C19 C11 70.1(11) 9_767 9_767
C18 C19 C11 133.3(15) 3_765 9_767
C17 C19 C11 167.9(8) 11_557 9_767
C12 C19 C11 66.8(6) 11_557 9_767
C13 C19 C11 159.3(9) 9_767 9_767
C18 C19 C11 96.2(4) . 9_767
C20 C19 C11 143.8(4) . 9_767
C19 C19 C11 63.3(3) 3_765 9_767
C22 C19 C11 17.5(4) . 9_767
C12 C19 C17 19.4(8) 9_767 9_767
C18 C19 C17 43.8(10) 3_765 9_767
C17 C19 C17 78.4(5) 11_557 9_767
C12 C19 C17 22.7(3) 11_557 9_767
C13 C19 C17 111.2(7) 9_767 9_767
C18 C19 C17 6.7(3) . 9_767
C20 C19 C17 126.7(3) . 9_767
C19 C19 C17 26.2(4) 3_765 9_767
C22 C19 C17 107.0(4) . 9_767
C11 C19 C17 89.5(6) 9_767 9_767
C12 C19 C22 57.9(14) 9_767 3_765
C18 C19 C22 121.2(18) 3_765 3_765
C17 C19 C22 155.8(9) 11_557 3_765
C12 C19 C22 54.6(9) 11_557 3_765
C13 C19 C22 171.4(10) 9_767 3_765
C18 C19 C22 84.1(6) . 3_765
C20 C19 C22 155.9(6) . 3_765
C19 C19 C22 51.2(5) 3_765 3_765
C22 C19 C22 29.6(7) . 3_765
C11 C19 C22 12.1(3) 9_767 3_765
C17 C19 C22 77.4(8) 9_767 3_765
C13 C20 C17 3.2(6) 9_767 11_557
C13 C20 C21 86.1(11) 9_767 .
C17 C20 C21 83.0(6) 11_557 .
C13 C20 C19 33.9(11) 9_767 .
C17 C20 C19 37.0(6) 11_557 .
C21 C20 C19 120.00(7) . .
C13 C20 C14 67.2(10) 9_767 9_767
C17 C20 C14 64.0(5) 11_557 9_767
C21 C20 C14 19.0(5) . 9_767
C19 C20 C14 101.0(5) . 9_767
C13 C20 C18 2.2(11) 9_767 3_765
C17 C20 C18 5.3(5) 11_557 3_765
C21 C20 C18 88.29(12) . 3_765
C19 C20 C18 31.71(12) . 3_765
C14 C20 C18 69.3(4) 9_767 3_765
C13 C20 C12 25.2(9) 9_767 9_767
C17 C20 C12 28.4(4) 11_557 9_767
C21 C20 C12 111.4(3) . 9_767
C19 C20 C12 8.6(3) . 9_767
C14 C20 C12 92.4(6) 9_767 9_767
C18 C20 C12 23.1(3) 3_765 9_767
C13 C20 C16 48.3(9) 9_767 11_557
C17 C20 C16 45.1(4) 11_557 11_557
C21 C20 C16 37.87(19) . 11_557
C19 C20 C16 82.13(19) . 11_557
C14 C20 C16 18.9(4) 9_767 11_557
C18 C20 C16 50.42(16) 3_765 11_557
C12 C20 C16 73.5(2) 9_767 11_557
C13 C20 H20A 156.3 9_767 .
C17 C20 H20A 159.4 11_557 .
C21 C20 H20A 117.6 . .
C19 C20 H20A 122.4 . .
C14 C20 H20A 136.6 9_767 .
C18 C20 H20A 154.1 3_765 .
C12 C20 H20A 131.0 9_767 .
C16 C20 H20A 155.5 11_557 .
C14 C21 C21 83.2(11) 9_767 11_557
C14 C21 C14 54.2(11) 9_767 3_765
C21 C21 C14 29.0(8) 11_557 3_765
C14 C21 C16 2.0(7) 9_767 11_557
C21 C21 C16 81.2(5) 11_557 11_557
C14 C21 C16 52.2(7) 3_765 11_557
C14 C21 C20 93.9(11) 9_767 .
C21 C21 C20 177.10(12) 11_557 .
C14 C21 C20 148.1(7) 3_765 .
C16 C21 C20 95.9(5) 11_557 .
C14 C21 C16 26.2(11) 9_767 .
C21 C21 C16 57.07(12) 11_557 .
C14 C21 C16 28.1(7) 3_765 .
C16 C21 C16 24.2(5) 11_557 .
C20 C21 C16 120.02(7) . .
C14 C21 C13 74.1(12) 9_767 9_767
C21 C21 C13 157.3(4) 11_557 9_767
C14 C21 C13 128.3(11) 3_765 9_767
C16 C21 C13 76.1(7) 11_557 9_767
C20 C21 C13 19.8(5) . 9_767
C16 C21 C13 100.2(5) . 9_767
C14 C21 C17 54.5(9) 9_767 11_557
C21 C21 C17 137.8(2) 11_557 11_557
C14 C21 C17 108.8(7) 3_765 11_557
C16 C21 C17 56.5(3) 11_557 11_557
C20 C21 C17 39.3(2) . 11_557
C16 C21 C17 80.7(2) . 11_557
C13 C21 C17 19.5(4) 9_767 11_557
C14 C21 C15 2.5(11) 9_767 3_765
C21 C21 C15 85.77(18) 11_557 3_765
C14 C21 C15 56.8(6) 3_765 3_765
C16 C21 C15 4.5(5) 11_557 3_765
C20 C21 C15 91.33(10) . 3_765
C16 C21 C15 28.69(8) . 3_765
C13 C21 C15 71.5(5) 9_767 3_765
C17 C21 C15 52.0(3) 11_557 3_765
C14 C21 C15 19.4(8) 9_767 9_767
C21 C21 C15 63.8(4) 11_557 9_767
C14 C21 C15 34.8(5) 3_765 9_767
C16 C21 C15 17.4(2) 11_557 9_767
C20 C21 C15 113.3(3) . 9_767
C16 C21 C15 6.7(3) . 9_767
C13 C21 C15 93.5(7) 9_767 9_767
C17 C21 C15 74.0(2) 11_557 9_767
C15 C21 C15 22.0(3) 3_765 9_767
C14 C21 C18 45.4(12) 9_767 3_765
C21 C21 C18 128.6(2) 11_557 3_765
C14 C21 C18 99.7(10) 3_765 3_765
C16 C21 C18 47.4(6) 11_557 3_765
C20 C21 C18 48.4(3) . 3_765
C16 C21 C18 71.6(3) . 3_765
C13 C21 C18 28.6(2) 9_767 3_765
C17 C21 C18 9.1(3) 11_557 3_765
C15 C21 C18 42.9(3) 3_765 3_765
C15 C21 C18 64.8(6) 9_767 3_765
C14 C21 H21A 144.0 9_767 .
C21 C21 H21A 60.8 11_557 .
C14 C21 H21A 89.8 3_765 .
C16 C21 H21A 142.0 11_557 .
C20 C21 H21A 122.1 . .
C16 C21 H21A 117.9 . .
C13 C21 H21A 141.9 9_767 .
C17 C21 H21A 161.5 11_557 .
C15 C21 H21A 146.5 3_765 .
C15 C21 H21A 124.6 9_767 .
C18 C21 H21A 170.6 3_765 .
C11 C22 O8 127(3) 9_767 3_765
C11 C22 O6 159(2) 9_767 11_557
O8 C22 O6 32(3) 3_765 11_557
C11 C22 O5 134.7(17) 9_767 9_767
O8 C22 O5 8(2) 3_765 9_767
O6 C22 O5 24.0(8) 11_557 9_767
C11 C22 C22 6.7(12) 9_767 3_765
O8 C22 C22 120(3) 3_765 3_765
O6 C22 C22 152.0(9) 11_557 3_765
O5 C22 C22 128.0(8) 9_767 3_765
C11 C22 O8 26.3(12) 9_767 .
O8 C22 O8 101(3) 3_765 .
O6 C22 O8 132.4(11) 11_557 .
O5 C22 O8 108.4(10) 9_767 .
C22 C22 O8 19.6(3) 3_765 .
C11 C22 O7 149.3(12) 9_767 .
O8 C22 O7 22(3) 3_765 .
O6 C22 O7 9.4(11) 11_557 .
O5 C22 O7 14.5(10) 9_767 .
C22 C22 O7 142.6(3) 3_765 .
O8 C22 O7 122.9(4) . .
C11 C22 C19 92.5(12) 9_767 .
O8 C22 C19 140(3) 3_765 .
O6 C22 C19 108.8(10) 11_557 .
O5 C22 C19 132.7(10) 9_767 .
C22 C22 C19 99.3(3) 3_765 .
O8 C22 C19 118.9(2) . .
O7 C22 C19 118.2(2) . .
C11 C22 C12 74.3(10) 9_767 9_767
O8 C22 C12 159(3) 3_765 9_767
O6 C22 C12 127.0(14) 11_557 9_767
O5 C22 C12 151.0(13) 9_767 9_767
C22 C22 C12 81.0(6) 3_765 9_767
O8 C22 C12 100.6(5) . 9_767
O7 C22 C12 136.4(5) . 9_767
C19 C22 C12 18.2(5) . 9_767
C11 C22 O5 31.8(11) 9_767 11_557
O8 C22 O5 95(3) 3_765 11_557
O6 C22 O5 126.8(10) 11_557 11_557
O5 C22 O5 102.9(9) 9_767 11_557
C22 C22 O5 25.1(3) 3_765 11_557
O8 C22 O5 5.5(5) . 11_557
O7 C22 O5 117.4(5) . 11_557
C19 C22 O5 124.4(5) . 11_557
C12 C22 O5 106.2(8) 9_767 11_557
C11 C22 C12 58.6(10) 9_767 11_557
O8 C22 C12 174(3) 3_765 11_557
O6 C22 C12 142.7(12) 11_557 11_557
O5 C22 C12 166.7(12) 9_767 11_557
C22 C22 C12 65.3(4) 3_765 11_557
O8 C22 C12 84.9(4) . 11_557
O7 C22 C12 152.2(4) . 11_557
C19 C22 C12 34.0(3) . 11_557
C12 C22 C12 15.8(4) 9_767 11_557
O5 C22 C12 90.4(6) 11_557 11_557
C11 C22 O6 19.6(9) 9_767 9_767
O8 C22 O6 107(3) 3_765 9_767
O6 C22 O6 139.1(12) 11_557 9_767
O5 C22 O6 115.1(9) 9_767 9_767
C22 C22 O6 12.9(4) 3_765 9_767
O8 C22 O6 6.7(5) . 9_767
O7 C22 O6 129.7(5) . 9_767
C19 C22 O6 112.1(5) . 9_767
C12 C22 O6 93.9(6) 9_767 9_767
O5 C22 O6 12.3(4) 11_557 9_767
C12 C22 O6 78.2(5) 11_557 9_767
O6 O5 O8 75(2) 3_765 11_557
O6 O5 O7 71.6(17) 3_765 9_767
O8 O5 O7 146(2) 11_557 9_767
O6 O5 C22 65.2(9) 3_765 9_767
O8 O5 C22 9(3) 11_557 9_767
O7 O5 C22 137(2) 9_767 9_767
O6 O5 C11 80.6(6) 3_765 .
O8 O5 C11 6(2) 11_557 .
O7 O5 C11 152.2(15) 9_767 .
C22 O5 C11 15.4(8) 9_767 .
O6 O5 C22 92.0(7) 3_765 11_557
O8 O5 C22 17.5(19) 11_557 11_557
O7 O5 C22 163.6(15) 9_767 11_557
C22 O5 C22 26.8(8) 9_767 11_557
C11 O5 C22 11.4(3) . 11_557
O6 O5 O8 108.2(7) 3_765 9_767
O8 O5 O8 33.6(19) 11_557 9_767
O7 O5 O8 179.8(16) 9_767 9_767
C22 O5 O8 43.0(7) 9_767 9_767
C11 O5 O8 27.6(4) . 9_767
C22 O5 O8 16.2(3) 11_557 9_767
O6 O5 Zr1 133.0(8) 3_765 .
O8 O5 Zr1 152(2) 11_557 .
O7 O5 Zr1 61.4(14) 9_767 .
C22 O5 Zr1 161.9(9) 9_767 .
C11 O5 Zr1 146.4(4) . .
C22 O5 Zr1 135.0(4) 11_557 .
O8 O5 Zr1 118.9(4) 9_767 .
O5 O6 O8 57.2(18) 3_765 9_767
O5 O6 O7 64(2) 3_765 11_557
O8 O6 O7 121(3) 9_767 11_557
O5 O6 C22 90.9(13) 3_765 11_557
O8 O6 C22 33.7(12) 9_767 11_557
O7 O6 C22 155(3) 11_557 11_557
O5 O6 C11 83.0(8) 3_765 .
O8 O6 C11 25.8(15) 9_767 .
O7 O6 C11 147(2) 11_557 .
C22 O6 C11 7.9(8) 11_557 .
O5 O6 C22 75.8(9) 3_765 9_767
O8 O6 C22 18.6(13) 9_767 9_767
O7 O6 C22 140(2) 11_557 9_767
C22 O6 C22 15.1(7) 11_557 9_767
C11 O6 C22 7.3(3) . 9_767
O5 O6 Zr1 40.5(6) 3_765 3_765
O8 O6 Zr1 97.6(17) 9_767 3_765
O7 O6 Zr1 24(2) 11_557 3_765
C22 O6 Zr1 131.4(10) 11_557 3_765
C11 O6 Zr1 123.5(4) . 3_765
C22 O6 Zr1 116.2(5) 9_767 3_765
O5 O7 O6 44.3(16) 9_767 11_557
O5 O7 O8 15.8(12) 9_767 3_765
O6 O7 O8 28.6(12) 11_557 3_765
O5 O7 C22 28.7(12) 9_767 .
O6 O7 C22 15.6(19) 11_557 .
O8 O7 C22 12.9(12) 3_765 .
O5 O7 C11 20.5(10) 9_767 9_767
O6 O7 C11 23.9(17) 11_557 9_767
O8 O7 C11 4.7(11) 3_765 9_767
C22 O7 C11 8.2(4) . 9_767
O5 O7 Zr1 106.1(17) 9_767 9_767
O6 O7 Zr1 150(3) 11_557 9_767
O8 O7 Zr1 121.8(19) 3_765 9_767
C22 O7 Zr1 134.8(8) . 9_767
C11 O7 Zr1 126.5(9) 9_767 9_767
O5 O8 O6 48(2) 11_557 9_767
O5 O8 C22 163(5) 11_557 3_765
O6 O8 C22 115(3) 9_767 3_765
O5 O8 O7 18.1(12) 11_557 3_765
O6 O8 O7 30.2(19) 9_767 3_765
C22 O8 O7 145(4) 3_765 3_765
O5 O8 C11 171(3) 11_557 9_767
O6 O8 C11 141(2) 9_767 9_767
C22 O8 C11 26(2) 3_765 9_767
O7 O8 C11 171(2) 3_765 9_767
O5 O8 C22 157(2) 11_557 .
O6 O8 C22 154.7(18) 9_767 .
C22 O8 C22 40(3) 3_765 .
O7 O8 C22 175.1(17) 3_765 .
C11 O8 C22 14.1(7) 9_767 .
O5 O8 O8 137(2) 11_557 3_765
O6 O8 O8 174.3(16) 9_767 3_765
C22 O8 O8 60(3) 3_765 3_765
O7 O8 O8 155.5(14) 3_765 3_765
C11 O8 O8 33.7(9) 9_767 3_765
C22 O8 O8 19.6(3) . 3_765
O5 O8 O5 128(2) 11_557 9_767
O6 O8 O5 176.7(19) 9_767 9_767
C22 O8 O5 69(3) 3_765 9_767
O7 O8 O5 146.5(15) 3_765 9_767
C11 O8 O5 42.7(7) 9_767 9_767
C22 O8 O5 28.6(3) . 9_767
O8 O8 O5 9.0(3) 3_765 9_767
O5 O8 C19 133(3) 11_557 3_765
O6 O8 C19 84.6(17) 9_767 3_765
C22 O8 C19 30(2) 3_765 3_765
O7 O8 C19 115(2) 3_765 3_765
C11 O8 C19 56.0(7) 9_767 3_765
C22 O8 C19 70.1(6) . 3_765
O8 O8 C19 89.7(7) 3_765 3_765
O5 O8 C19 98.7(8) 9_767 3_765
O5 O8 Zr1 23.1(18) 11_557 11_557
O6 O8 Zr1 71.4(16) 9_767 11_557
C22 O8 Zr1 174(3) 3_765 11_557
O7 O8 Zr1 41.2(11) 3_765 11_557
C11 O8 Zr1 148.0(12) 9_767 11_557
C22 O8 Zr1 133.9(6) . 11_557
O8 O8 Zr1 114.3(3) 3_765 11_557
O5 O8 Zr1 105.3(6) 9_767 11_557
C19 O8 Zr1 155.9(10) 3_765 11_557
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zr1 O7 1.902(7) 9_767
Zr1 O5 2.082(4) .
Zr1 O1 2.129(2) 13_755
Zr1 O1 2.129(2) .
Zr1 O2 2.122(2) 3_765
Zr1 O2 2.122(2) .
Zr1 O1S 2.196(4) .
Zr1 O4 2.231(3) .
Zr1 O4 2.231(3) 13_755
Zr1 O6 2.346(8) 3_765
Zr1 O8 2.454(8) 11_557
Zr1 Zr1 3.4803(10) 3_765
Zr2 O2 2.118(4) .
Zr2 O2 2.118(4) 11_556
Zr2 O1 2.171(4) .
Zr2 O1 2.171(4) 5_566
Zr2 O3 2.197(2) .
Zr2 O3 2.198(2) 11_556
Zr2 O3 2.198(2) 14_565
Zr2 O3 2.198(2) 5_566
Zr2 Zr1 3.4887(8) 3_765
Zr2 Zr1 3.4887(8) 9_766
Zr2 Zr1 3.4887(8) 11_556
O1 Zr1 2.129(2) 11_556
O2 Zr1 2.122(2) 3_765
O3 C1 1.266(4) .
O4 C1 1.257(4) .
C1 C2 1.5069(10) .
C2 C7 1.351(6) .
C2 C3 1.367(6) .
C3 C4 1.381(6) .
C3 H3A 0.9500 .
C4 C5 1.384(8) .
C4 C8 1.526(9) .
C5 C6 1.363(8) .
C5 C5 1.515(8) 8_666
C6 C7 1.403(6) .
C6 H6A 0.9500 .
C7 H7A 0.9500 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C11 C22 0.481(13) 9_767
C11 C22 0.481(13) 11_557
C11 O8 0.877(12) 11_557
C11 O8 0.877(12) 9_767
C11 O6 1.277(3) .
C11 O6 1.277(3) 3_765
C11 O5 1.285(3) .
C11 O5 1.285(3) 3_765
C11 C12 1.5085(11) .
C11 C12 1.5085(11) 3_765
C11 C19 1.604(11) 11_557
C11 C19 1.604(11) 9_767
C12 C12 0.468(10) 3_765
C12 C19 0.490(12) 9_767
C12 C18 0.730(9) 11_557
C12 C19 0.956(9) 11_557
C12 C18 0.975(10) 9_767
C12 C17 1.029(7) 3_765
C12 C17 1.3899(9) .
C12 C13 1.3912(9) .
C12 C22 1.566(9) 9_767
C12 C22 1.702(9) 11_557
C12 C13 1.820(9) 3_765
C13 C20 0.490(12) 9_767
C13 C17 0.553(10) 3_765
C13 C19 1.021(12) 9_767
C13 C18 1.028(6) 11_557
C13 C14 1.3895(9) .
C13 C21 1.442(11) 9_767
C13 C16 1.629(7) 3_765
C13 C12 1.820(9) 3_765
C13 C15 1.820(7) 11_557
C13 C18 1.920(12) 9_767
C13 H13A 0.9600 .
C14 C21 0.490(12) 9_767
C14 C16 0.691(12) 3_765
C14 C14 0.820(10) 11_557
C14 C16 0.975(10) 9_767
C14 C21 1.004(5) 3_765
C14 C15 1.1687(16) 11_557
C14 C15 1.3902(8) .
C14 C17 1.405(5) 3_765
C14 C20 1.504(9) 9_767
C14 C18 1.719(8) 11_557
C14 C15 1.919(13) 9_767
C14 H14A 0.9305 .
C15 C16 0.490(12) 9_767
C15 C15 0.691(9) 11_557
C15 C15 0.751(13) 3_765
C15 C16 0.799(9) 3_765
C15 C15 1.021(12) 9_767
C15 C14 1.1687(16) 11_557
C15 C16 1.2391(15) 11_557
C15 C18 1.3900(9) .
C15 C16 1.3903(8) .
C15 C17 1.442(11) 9_767
C15 C18 1.613(8) 3_765
C16 C15 0.490(12) 9_767
C16 C16 0.576(10) 11_557
C16 C14 0.691(12) 3_765
C16 C15 0.799(9) 3_765
C16 C14 0.975(10) 9_767
C16 C21 1.1808(17) 11_557
C16 C15 1.2390(15) 11_557
C16 C17 1.3900(10) .
C16 C21 1.3903(8) .
C16 C18 1.505(9) 9_767
C16 C13 1.629(7) 3_765
C17 C18 0.490(12) 9_767
C17 C13 0.553(10) 3_765
C17 C19 0.841(11) 11_557
C17 C12 1.029(7) 3_765
C17 C20 1.042(6) 11_557
C17 C18 1.380(6) 11_557
C17 C14 1.405(5) 3_765
C17 C15 1.442(11) 9_767
C17 C21 1.632(10) 11_557
C17 C19 1.842(11) 9_767
C17 H17A 0.9600 .
C18 C17 0.490(12) 9_767
C18 C12 0.730(9) 11_557
C18 C19 0.804(5) 3_765
C18 C18 0.892(17) 3_765
C18 C12 0.975(10) 9_767
C18 C13 1.028(6) 11_557
C18 C17 1.380(6) 11_557
C18 C19 1.3901(8) .
C18 C16 1.505(9) 9_767
C18 C20 1.517(17) 3_765
C18 C15 1.613(8) 3_765
C18 H18A 0.9600 .
C19 C12 0.490(12) 9_767
C19 C18 0.804(5) 3_765
C19 C17 0.841(11) 11_557
C19 C12 0.956(9) 11_557
C19 C13 1.021(12) 9_767
C19 C20 1.3909(9) .
C19 C19 1.441(19) 3_765
C19 C22 1.5085(11) .
C19 C11 1.604(11) 9_767
C19 C17 1.842(11) 9_767
C19 C22 1.911(14) 3_765
C20 C13 0.490(12) 9_767
C20 C17 1.042(6) 11_557
C20 C21 1.3897(10) .
C20 C14 1.504(9) 9_767
C20 C18 1.518(17) 3_765
C20 C12 1.818(13) 9_767
C20 C16 1.913(8) 11_557
C20 H20A 0.9601 .
C21 C14 0.490(12) 9_767
C21 C21 0.936(12) 11_557
C21 C14 1.004(5) 3_765
C21 C16 1.1808(17) 11_557
C21 C13 1.442(11) 9_767
C21 C17 1.632(10) 11_557
C21 C15 1.658(13) 3_765
C21 C15 1.843(11) 9_767
C21 C18 2.027(14) 3_765
C21 H21A 0.9575 .
C22 C11 0.481(13) 9_767
C22 O8 0.499(12) 3_765
C22 O6 0.817(11) 11_557
C22 O5 0.900(10) 9_767
C22 C22 0.96(3) 3_765
C22 O8 1.282(2) .
C22 O7 1.283(2) .
C22 C12 1.566(9) 9_767
C22 O5 1.668(13) 11_557
C22 C12 1.703(9) 11_557
C22 O6 1.720(13) 9_767
O5 O6 0.365(11) 3_765
O5 O8 0.411(11) 11_557
O5 O7 0.470(15) 9_767
O5 C22 0.900(10) 9_767
O5 C22 1.668(13) 11_557
O5 O8 1.784(15) 9_767
O6 O5 0.365(11) 3_765
O6 O8 0.472(15) 9_767
O6 O7 0.496(10) 11_557
O6 C22 0.817(11) 11_557
O6 C22 1.720(13) 9_767
O6 Zr1 2.346(8) 3_765
O7 O5 0.470(15) 9_767
O7 O6 0.496(10) 11_557
O7 O8 0.84(2) 3_765
O7 C11 1.715(12) 9_767
O7 Zr1 1.902(7) 9_767
O8 O5 0.411(11) 11_557
O8 O6 0.472(15) 9_767
O8 C22 0.499(12) 3_765
O8 O7 0.84(2) 3_765
O8 C11 0.877(12) 9_767
O8 O8 1.46(3) 3_765
O8 O5 1.784(15) 9_767
O8 C19 1.919(8) 3_765
O8 Zr1 2.454(8) 11_557
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
O7 Zr1 Zr2 O2 30.0(5) 9_767 .
O5 Zr1 Zr2 O2 19.7(2) . .
O1 Zr1 Zr2 O2 -125.1(2) 13_755 .
O1 Zr1 Zr2 O2 -177.8(3) . .
O2 Zr1 Zr2 O2 -54.29(17) 3_765 .
O1S Zr1 Zr2 O2 149.1(2) . .
O4 Zr1 Zr2 O2 90.3(2) . .
O4 Zr1 Zr2 O2 -86.3(4) 13_755 .
O6 Zr1 Zr2 O2 24.9(2) 3_765 .
O8 Zr1 Zr2 O2 16.3(3) 11_557 .
Zr1 Zr1 Zr2 O2 -33.7(2) 3_765 .
O7 Zr1 Zr2 O2 153.5(4) 9_767 11_556
O5 Zr1 Zr2 O2 143.22(13) . 11_556
O1 Zr1 Zr2 O2 -1.53(13) 13_755 11_556
O1 Zr1 Zr2 O2 -54.2(2) . 11_556
O2 Zr1 Zr2 O2 69.24(15) 3_765 11_556
O2 Zr1 Zr2 O2 123.5(3) . 11_556
O1S Zr1 Zr2 O2 -87.38(15) . 11_556
O4 Zr1 Zr2 O2 -146.19(12) . 11_556
O4 Zr1 Zr2 O2 37.3(3) 13_755 11_556
O6 Zr1 Zr2 O2 148.44(12) 3_765 11_556
O8 Zr1 Zr2 O2 139.8(3) 11_557 11_556
Zr1 Zr1 Zr2 O2 89.86(7) 3_765 11_556
O7 Zr1 Zr2 O1 -152.3(5) 9_767 .
O5 Zr1 Zr2 O1 -162.5(2) . .
O1 Zr1 Zr2 O1 52.70(18) 13_755 .
O2 Zr1 Zr2 O1 123.5(2) 3_765 .
O2 Zr1 Zr2 O1 177.8(3) . .
O1S Zr1 Zr2 O1 -33.2(2) . .
O4 Zr1 Zr2 O1 -92.0(2) . .
O4 Zr1 Zr2 O1 91.5(4) 13_755 .
O6 Zr1 Zr2 O1 -157.3(2) 3_765 .
O8 Zr1 Zr2 O1 -165.9(3) 11_557 .
Zr1 Zr1 Zr2 O1 144.1(2) 3_765 .
O7 Zr1 Zr2 O1 83.5(4) 9_767 5_566
O5 Zr1 Zr2 O1 73.20(14) . 5_566
O1 Zr1 Zr2 O1 -71.55(16) 13_755 5_566
O1 Zr1 Zr2 O1 -124.2(3) . 5_566
O2 Zr1 Zr2 O1 -0.78(13) 3_765 5_566
O2 Zr1 Zr2 O1 53.5(2) . 5_566
O1S Zr1 Zr2 O1 -157.40(15) . 5_566
O4 Zr1 Zr2 O1 143.79(12) . 5_566
O4 Zr1 Zr2 O1 -32.8(3) 13_755 5_566
O6 Zr1 Zr2 O1 78.42(12) 3_765 5_566
O8 Zr1 Zr2 O1 69.8(3) 11_557 5_566
Zr1 Zr1 Zr2 O1 19.84(7) 3_765 5_566
O7 Zr1 Zr2 O3 -61.7(4) 9_767 .
O5 Zr1 Zr2 O3 -72.02(14) . .
O1 Zr1 Zr2 O3 143.23(13) 13_755 .
O1 Zr1 Zr2 O3 90.5(2) . .
O2 Zr1 Zr2 O3 -146.00(13) 3_765 .
O2 Zr1 Zr2 O3 -91.7(2) . .
O1S Zr1 Zr2 O3 57.37(15) . .
O4 Zr1 Zr2 O3 -1.44(12) . .
O4 Zr1 Zr2 O3 -178.0(3) 13_755 .
O6 Zr1 Zr2 O3 -66.80(12) 3_765 .
O8 Zr1 Zr2 O3 -75.4(3) 11_557 .
Zr1 Zr1 Zr2 O3 -125.38(7) 3_765 .
O7 Zr1 Zr2 O3 -128.4(4) 9_767 11_556
O5 Zr1 Zr2 O3 -138.71(14) . 11_556
O1 Zr1 Zr2 O3 76.54(13) 13_755 11_556
O1 Zr1 Zr2 O3 23.8(2) . 11_556
O2 Zr1 Zr2 O3 147.31(13) 3_765 11_556
O2 Zr1 Zr2 O3 -158.4(2) . 11_556
O1S Zr1 Zr2 O3 -9.32(15) . 11_556
O4 Zr1 Zr2 O3 -68.13(12) . 11_556
O4 Zr1 Zr2 O3 115.3(3) 13_755 11_556
O6 Zr1 Zr2 O3 -133.49(12) 3_765 11_556
O8 Zr1 Zr2 O3 -142.1(3) 11_557 11_556
Zr1 Zr1 Zr2 O3 167.93(7) 3_765 11_556
O7 Zr1 Zr2 O3 6.0(4) 9_767 14_565
O5 Zr1 Zr2 O3 -4.27(13) . 14_565
O1 Zr1 Zr2 O3 -149.02(13) 13_755 14_565
O1 Zr1 Zr2 O3 158.3(2) . 14_565
O2 Zr1 Zr2 O3 -78.25(13) 3_765 14_565
O2 Zr1 Zr2 O3 -24.0(2) . 14_565
O1S Zr1 Zr2 O3 125.12(15) . 14_565
O4 Zr1 Zr2 O3 66.31(12) . 14_565
O4 Zr1 Zr2 O3 -110.2(3) 13_755 14_565
O6 Zr1 Zr2 O3 0.95(12) 3_765 14_565
O8 Zr1 Zr2 O3 -7.7(3) 11_557 14_565
Zr1 Zr1 Zr2 O3 -57.63(7) 3_765 14_565
O7 Zr1 Zr2 O3 116.5(5) 9_767 5_566
O5 Zr1 Zr2 O3 106.2(3) . 5_566
O1 Zr1 Zr2 O3 -38.5(3) 13_755 5_566
O1 Zr1 Zr2 O3 -91.2(3) . 5_566
O2 Zr1 Zr2 O3 32.3(3) 3_765 5_566
O2 Zr1 Zr2 O3 86.6(3) . 5_566
O1S Zr1 Zr2 O3 -124.4(3) . 5_566
O4 Zr1 Zr2 O3 176.8(3) . 5_566
O4 Zr1 Zr2 O3 0.3(4) 13_755 5_566
O6 Zr1 Zr2 O3 111.5(3) 3_765 5_566
O8 Zr1 Zr2 O3 102.9(4) 11_557 5_566
Zr1 Zr1 Zr2 O3 52.9(3) 3_765 5_566
O7 Zr1 Zr2 Zr1 63.6(4) 9_767 3_765
O5 Zr1 Zr2 Zr1 53.36(12) . 3_765
O1 Zr1 Zr2 Zr1 -91.39(11) 13_755 3_765
O1 Zr1 Zr2 Zr1 -144.1(2) . 3_765
O2 Zr1 Zr2 Zr1 -20.62(11) 3_765 3_765
O2 Zr1 Zr2 Zr1 33.7(2) . 3_765
O1S Zr1 Zr2 Zr1 -177.24(13) . 3_765
O4 Zr1 Zr2 Zr1 123.95(10) . 3_765
O4 Zr1 Zr2 Zr1 -52.6(3) 13_755 3_765
O6 Zr1 Zr2 Zr1 58.58(10) 3_765 3_765
O8 Zr1 Zr2 Zr1 50.0(3) 11_557 3_765
O7 Zr1 Zr2 Zr1 118.8(4) 9_767 9_766
O5 Zr1 Zr2 Zr1 108.56(12) . 9_766
O1 Zr1 Zr2 Zr1 -36.19(11) 13_755 9_766
O1 Zr1 Zr2 Zr1 -88.9(2) . 9_766
O2 Zr1 Zr2 Zr1 34.58(11) 3_765 9_766
O2 Zr1 Zr2 Zr1 88.9(2) . 9_766
O1S Zr1 Zr2 Zr1 -122.04(14) . 9_766
O4 Zr1 Zr2 Zr1 179.15(10) . 9_766
O4 Zr1 Zr2 Zr1 2.6(3) 13_755 9_766
O6 Zr1 Zr2 Zr1 113.78(10) 3_765 9_766
O8 Zr1 Zr2 Zr1 105.2(3) 11_557 9_766
Zr1 Zr1 Zr2 Zr1 55.202(17) 3_765 9_766
O7 Zr1 Zr2 Zr1 173.3(4) 9_767 11_556
O5 Zr1 Zr2 Zr1 163.06(12) . 11_556
O1 Zr1 Zr2 Zr1 18.31(11) 13_755 11_556
O1 Zr1 Zr2 Zr1 -34.4(2) . 11_556
O2 Zr1 Zr2 Zr1 89.08(11) 3_765 11_556
O2 Zr1 Zr2 Zr1 143.4(2) . 11_556
O1S Zr1 Zr2 Zr1 -67.55(13) . 11_556
O4 Zr1 Zr2 Zr1 -126.36(10) . 11_556
O4 Zr1 Zr2 Zr1 57.1(3) 13_755 11_556
O6 Zr1 Zr2 Zr1 168.28(10) 3_765 11_556
O8 Zr1 Zr2 Zr1 159.7(3) 11_557 11_556
Zr1 Zr1 Zr2 Zr1 109.698(13) 3_765 11_556
O7 Zr1 O1 Zr1 167.0(8) 9_767 11_556
O5 Zr1 O1 Zr1 146.9(2) . 11_556
O1 Zr1 O1 Zr1 -1.5(3) 13_755 11_556
O2 Zr1 O1 Zr1 58.2(2) 3_765 11_556
O2 Zr1 O1 Zr1 118.2(3) . 11_556
O1S Zr1 O1 Zr1 -89.3(2) . 11_556
O4 Zr1 O1 Zr1 -162.6(2) . 11_556
O4 Zr1 O1 Zr1 -31.1(4) 13_755 11_556
O6 Zr1 O1 Zr1 156.92(19) 3_765 11_556
O8 Zr1 O1 Zr1 140.7(5) 11_557 11_556
Zr1 Zr1 O1 Zr1 89.0(2) 3_765 11_556
O7 Zr1 O1 Zr2 47.5(9) 9_767 .
O5 Zr1 O1 Zr2 27.3(4) . .
O1 Zr1 O1 Zr2 -121.02(11) 13_755 .
O2 Zr1 O1 Zr2 -61.35(19) 3_765 .
O2 Zr1 O1 Zr2 -1.34(17) . .
O1S Zr1 O1 Zr2 151.12(19) . .
O4 Zr1 O1 Zr2 77.83(18) . .
O4 Zr1 O1 Zr2 -150.69(13) 13_755 .
O6 Zr1 O1 Zr2 37.4(4) 3_765 .
O8 Zr1 O1 Zr2 21.2(6) 11_557 .
Zr1 Zr1 O1 Zr2 -30.55(17) 3_765 .
O2 Zr2 O1 Zr1 1.35(18) . .
O2 Zr2 O1 Zr1 120.3(2) 11_556 .
O1 Zr2 O1 Zr1 60.83(17) 5_566 .
O3 Zr2 O1 Zr1 -80.98(17) . .
O3 Zr2 O1 Zr1 -157.4(2) 11_556 .
O3 Zr2 O1 Zr1 -34.6(4) 14_565 .
O3 Zr2 O1 Zr1 156.28(11) 5_566 .
Zr1 Zr2 O1 Zr1 30.47(17) 3_765 .
Zr1 Zr2 O1 Zr1 91.18(17) 9_766 .
Zr1 Zr2 O1 Zr1 121.7(3) 11_556 .
O2 Zr2 O1 Zr1 -120.3(2) . 11_556
O2 Zr2 O1 Zr1 -1.35(18) 11_556 11_556
O1 Zr2 O1 Zr1 -60.83(17) 5_566 11_556
O3 Zr2 O1 Zr1 157.4(2) . 11_556
O3 Zr2 O1 Zr1 80.98(17) 11_556 11_556
O3 Zr2 O1 Zr1 -156.28(11) 14_565 11_556
O3 Zr2 O1 Zr1 34.6(4) 5_566 11_556
Zr1 Zr2 O1 Zr1 -121.7(3) . 11_556
Zr1 Zr2 O1 Zr1 -91.18(17) 3_765 11_556
Zr1 Zr2 O1 Zr1 -30.47(17) 9_766 11_556
O2 Zr2 O2 Zr1 -61.28(17) 11_556 .
O1 Zr2 O2 Zr1 -1.38(18) . .
O1 Zr2 O2 Zr1 -121.2(2) 5_566 .
O3 Zr2 O2 Zr1 80.17(16) . .
O3 Zr2 O2 Zr1 34.0(4) 11_556 .
O3 Zr2 O2 Zr1 157.27(19) 14_565 .
O3 Zr2 O2 Zr1 -156.56(11) 5_566 .
Zr1 Zr2 O2 Zr1 -122.6(3) 3_765 .
Zr1 Zr2 O2 Zr1 -91.20(17) 9_766 .
Zr1 Zr2 O2 Zr1 -31.36(17) 11_556 .
O2 Zr2 O2 Zr1 61.28(17) 11_556 3_765
O1 Zr2 O2 Zr1 121.2(2) . 3_765
O1 Zr2 O2 Zr1 1.38(18) 5_566 3_765
O3 Zr2 O2 Zr1 -157.27(19) . 3_765
O3 Zr2 O2 Zr1 156.56(11) 11_556 3_765
O3 Zr2 O2 Zr1 -80.17(16) 14_565 3_765
O3 Zr2 O2 Zr1 -34.0(4) 5_566 3_765
Zr1 Zr2 O2 Zr1 122.6(3) . 3_765
Zr1 Zr2 O2 Zr1 31.36(17) 9_766 3_765
Zr1 Zr2 O2 Zr1 91.20(17) 11_556 3_765
O7 Zr1 O2 Zr2 -153.2(3) 9_767 .
O5 Zr1 O2 Zr2 -160.6(2) . .
O1 Zr1 O2 Zr2 59.44(19) 13_755 .
O1 Zr1 O2 Zr2 1.40(18) . .
O2 Zr1 O2 Zr2 120.08(11) 3_765 .
O1S Zr1 O2 Zr2 -51.9(4) . .
O4 Zr1 O2 Zr2 -79.55(17) . .
O4 Zr1 O2 Zr2 150.80(13) 13_755 .
O6 Zr1 O2 Zr2 -156.69(19) 3_765 .
O8 Zr1 O2 Zr2 -163.4(3) 11_557 .
Zr1 Zr1 O2 Zr2 122.9(3) 3_765 .
O7 Zr1 O2 Zr1 83.9(3) 9_767 3_765
O5 Zr1 O2 Zr1 76.5(2) . 3_765
O1 Zr1 O2 Zr1 -63.4(2) 13_755 3_765
O1 Zr1 O2 Zr1 -121.5(3) . 3_765
O2 Zr1 O2 Zr1 -2.8(3) 3_765 3_765
O1S Zr1 O2 Zr1 -174.8(3) . 3_765
O4 Zr1 O2 Zr1 157.6(2) . 3_765
O4 Zr1 O2 Zr1 27.9(4) 13_755 3_765
O6 Zr1 O2 Zr1 80.42(19) 3_765 3_765
O8 Zr1 O2 Zr1 73.7(3) 11_557 3_765
O2 Zr2 O3 C1 -35.7(4) . .
O2 Zr2 O3 C1 69.7(4) 11_556 .
O1 Zr2 O3 C1 35.9(4) . .
O1 Zr2 O3 C1 -69.9(4) 5_566 .
O3 Zr2 O3 C1 116.9(3) 11_556 .
O3 Zr2 O3 C1 -117.0(3) 14_565 .
O3 Zr2 O3 C1 -179.8(4) 5_566 .
Zr1 Zr2 O3 C1 -0.3(3) . .
Zr1 Zr2 O3 C1 -49.3(4) 3_765 .
Zr1 Zr2 O3 C1 2.1(6) 9_766 .
Zr1 Zr2 O3 C1 49.7(4) 11_556 .
O7 Zr1 O4 C1 129.9(7) 9_767 .
O5 Zr1 O4 C1 117.9(5) . .
O1 Zr1 O4 C1 -60.8(5) 13_755 .
O1 Zr1 O4 C1 -32.7(5) . .
O2 Zr1 O4 C1 70.1(5) 3_765 .
O2 Zr1 O4 C1 40.5(5) . .
O1S Zr1 O4 C1 -123.3(5) . .
O4 Zr1 O4 C1 -176.7(3) 13_755 .
O6 Zr1 O4 C1 124.1(5) 3_765 .
O8 Zr1 O4 C1 113.8(6) 11_557 .
Zr1 Zr1 O4 C1 53.7(5) 3_765 .
Zr1 O4 C1 O3 -6.8(8) . .
Zr1 O4 C1 C2 170.0(3) . .
Zr2 O3 C1 O4 3.7(7) . .
Zr2 O3 C1 C2 -173.1(3) . .
O4 C1 C2 C7 7.2(8) . .
O3 C1 C2 C7 -175.6(5) . .
O4 C1 C2 C3 -169.3(5) . .
O3 C1 C2 C3 7.8(7) . .
C7 C2 C3 C4 1.5(10) . .
C1 C2 C3 C4 178.0(6) . .
C2 C3 C4 C5 -0.8(10) . .
C2 C3 C4 C8 -175.3(8) . .
C3 C4 C5 C6 1.9(11) . .
C8 C4 C5 C6 176.2(8) . .
C3 C4 C5 C5 -176.4(6) . 8_666
C8 C4 C5 C5 -2.1(12) . 8_666
C4 C5 C6 C7 -3.5(12) . .
C5 C5 C6 C7 174.8(7) 8_666 .
C3 C2 C7 C6 -3.1(10) . .
C1 C2 C7 C6 -179.7(6) . .
C5 C6 C7 C2 4.1(11) . .
C22 C11 C12 C12 180.000(5) 9_767 3_765
C22 C11 C12 C12 0.000(6) 11_557 3_765
O8 C11 C12 C12 180.000(5) 11_557 3_765
O8 C11 C12 C12 0.000(5) 9_767 3_765
O6 C11 C12 C12 0.000(3) . 3_765
O6 C11 C12 C12 180.000(3) 3_765 3_765
O5 C11 C12 C12 180.000(3) . 3_765
O5 C11 C12 C12 0.000(2) 3_765 3_765
C19 C11 C12 C12 0.000(6) 11_557 3_765
C19 C11 C12 C12 180.000(5) 9_767 3_765
C22 C11 C12 C19 0.000(4) 9_767 9_767
C22 C11 C12 C19 180.000(6) 11_557 9_767
O8 C11 C12 C19 0.000(4) 11_557 9_767
O8 C11 C12 C19 180.000(5) 9_767 9_767
O6 C11 C12 C19 180.000(4) . 9_767
O6 C11 C12 C19 0.000(4) 3_765 9_767
O5 C11 C12 C19 0.000(4) . 9_767
O5 C11 C12 C19 180.000(4) 3_765 9_767
C12 C11 C12 C19 180.000(5) 3_765 9_767
C19 C11 C12 C19 180.000(4) 11_557 9_767
C22 C11 C12 C18 0.00(2) 9_767 11_557
C22 C11 C12 C18 180.00(3) 11_557 11_557
O8 C11 C12 C18 0.00(2) 11_557 11_557
O8 C11 C12 C18 180.00(2) 9_767 11_557
O6 C11 C12 C18 180.00(2) . 11_557
O6 C11 C12 C18 0.00(2) 3_765 11_557
O5 C11 C12 C18 0.00(2) . 11_557
O5 C11 C12 C18 180.00(2) 3_765 11_557
C12 C11 C12 C18 180.00(3) 3_765 11_557
C19 C11 C12 C18 180.00(2) 11_557 11_557
C19 C11 C12 C18 0.00(2) 9_767 11_557
C22 C11 C12 C19 180.000(3) 9_767 11_557
C22 C11 C12 C19 0.000(3) 11_557 11_557
O8 C11 C12 C19 180.000(3) 11_557 11_557
O8 C11 C12 C19 0.000(3) 9_767 11_557
O6 C11 C12 C19 0.000(2) . 11_557
O6 C11 C12 C19 180.000(2) 3_765 11_557
O5 C11 C12 C19 180.000(2) . 11_557
O5 C11 C12 C19 0.000(2) 3_765 11_557
C12 C11 C12 C19 0.000(5) 3_765 11_557
C19 C11 C12 C19 180.000(3) 9_767 11_557
C22 C11 C12 C18 180.000(2) 9_767 9_767
C22 C11 C12 C18 0.000(3) 11_557 9_767
O8 C11 C12 C18 180.000(2) 11_557 9_767
O8 C11 C12 C18 0.000(3) 9_767 9_767
O6 C11 C12 C18 0.000(2) . 9_767
O6 C11 C12 C18 180.000(4) 3_765 9_767
O5 C11 C12 C18 180.000(4) . 9_767
O5 C11 C12 C18 0.000(5) 3_765 9_767
C12 C11 C12 C18 0.000(7) 3_765 9_767
C19 C11 C12 C18 0.000(2) 11_557 9_767
C19 C11 C12 C18 180.000(5) 9_767 9_767
C22 C11 C12 C17 0.000(2) 9_767 3_765
C22 C11 C12 C17 180.000(2) 11_557 3_765
O8 C11 C12 C17 0.000(3) 11_557 3_765
O8 C11 C12 C17 180.000(2) 9_767 3_765
O6 C11 C12 C17 180.000(3) . 3_765
O6 C11 C12 C17 0.000(5) 3_765 3_765
O5 C11 C12 C17 0.000(6) . 3_765
O5 C11 C12 C17 180.000(3) 3_765 3_765
C12 C11 C12 C17 180.000(6) 3_765 3_765
C19 C11 C12 C17 180.000(4) 11_557 3_765
C19 C11 C12 C17 0.000(8) 9_767 3_765
C22 C11 C12 C17 180.000(4) 9_767 .
C22 C11 C12 C17 0.000(3) 11_557 .
O8 C11 C12 C17 180.000(3) 11_557 .
O8 C11 C12 C17 0.000(4) 9_767 .
O6 C11 C12 C17 0.000(2) . .
O6 C11 C12 C17 180.000(1) 3_765 .
O5 C11 C12 C17 180.0 . .
O5 C11 C12 C17 0.000(5) 3_765 .
C12 C11 C12 C17 0.000(6) 3_765 .
C19 C11 C12 C17 0.000(3) 11_557 .
C19 C11 C12 C17 180.000(3) 9_767 .
C22 C11 C12 C13 0.000(4) 9_767 .
C22 C11 C12 C13 180.000(2) 11_557 .
O8 C11 C12 C13 0.000(2) 11_557 .
O8 C11 C12 C13 180.000(2) 9_767 .
O6 C11 C12 C13 180.000(1) . .
O6 C11 C12 C13 0.000(3) 3_765 .
O5 C11 C12 C13 0.000(2) . .
O5 C11 C12 C13 180.000(2) 3_765 .
C12 C11 C12 C13 180.000(2) 3_765 .
C19 C11 C12 C13 180.000(2) 11_557 .
C19 C11 C12 C13 0.000(3) 9_767 .
C22 C11 C12 C22 180.000(9) 11_557 9_767
O8 C11 C12 C22 0.000(5) 11_557 9_767
O8 C11 C12 C22 180.000(9) 9_767 9_767
O6 C11 C12 C22 180.000(5) . 9_767
O6 C11 C12 C22 0.000(5) 3_765 9_767
O5 C11 C12 C22 0.000(5) . 9_767
O5 C11 C12 C22 180.000(8) 3_765 9_767
C12 C11 C12 C22 180.000(7) 3_765 9_767
C19 C11 C12 C22 180.000(6) 11_557 9_767
C19 C11 C12 C22 0.000(9) 9_767 9_767
C22 C11 C12 C22 180.000(10) 9_767 11_557
O8 C11 C12 C22 180.000(5) 11_557 11_557
O8 C11 C12 C22 0.000(9) 9_767 11_557
O6 C11 C12 C22 0.000(6) . 11_557
O6 C11 C12 C22 180.000(7) 3_765 11_557
O5 C11 C12 C22 180.000(7) . 11_557
O5 C11 C12 C22 0.000(5) 3_765 11_557
C12 C11 C12 C22 0.000(8) 3_765 11_557
C19 C11 C12 C22 0.000(6) 11_557 11_557
C19 C11 C12 C22 180.000(6) 9_767 11_557
C22 C11 C12 C13 180.000(2) 9_767 3_765
C22 C11 C12 C13 0.000(3) 11_557 3_765
O8 C11 C12 C13 180.0 11_557 3_765
O8 C11 C12 C13 0.000(4) 9_767 3_765
O6 C11 C12 C13 0.000(2) . 3_765
O6 C11 C12 C13 180.0 3_765 3_765
O5 C11 C12 C13 180.000(1) . 3_765
O5 C11 C12 C13 0.000(2) 3_765 3_765
C12 C11 C12 C13 0.000(6) 3_765 3_765
C19 C11 C12 C13 0.000(3) 11_557 3_765
C19 C11 C12 C13 180.000(3) 9_767 3_765
C12 C12 C13 C20 180.000(13) 3_765 9_767
C19 C12 C13 C20 0.000(11) 9_767 9_767
C18 C12 C13 C20 180.000(8) 11_557 9_767
C19 C12 C13 C20 180.000(10) 11_557 9_767
C18 C12 C13 C20 180.000(7) 9_767 9_767
C17 C12 C13 C20 180.000(10) 3_765 9_767
C17 C12 C13 C20 180.000(7) . 9_767
C11 C12 C13 C20 0.000(5) . 9_767
C22 C12 C13 C20 0.000(5) 9_767 9_767
C22 C12 C13 C20 0.000(6) 11_557 9_767
C13 C12 C13 C20 180.000(7) 3_765 9_767
C12 C12 C13 C17 0.000(8) 3_765 3_765
C19 C12 C13 C17 180.000(7) 9_767 3_765
C18 C12 C13 C17 0.000(8) 11_557 3_765
C19 C12 C13 C17 0.000(5) 11_557 3_765
C18 C12 C13 C17 0.000(6) 9_767 3_765
C17 C12 C13 C17 0.000(5) . 3_765
C11 C12 C13 C17 180.000(6) . 3_765
C22 C12 C13 C17 180.000(5) 9_767 3_765
C22 C12 C13 C17 180.000(6) 11_557 3_765
C13 C12 C13 C17 0.000(5) 3_765 3_765
C12 C12 C13 C19 180.00(2) 3_765 9_767
C18 C12 C13 C19 180.000(13) 11_557 9_767
C19 C12 C13 C19 180.000(18) 11_557 9_767
C18 C12 C13 C19 180.000(13) 9_767 9_767
C17 C12 C13 C19 180.000(11) 3_765 9_767
C17 C12 C13 C19 180.000(13) . 9_767
C11 C12 C13 C19 0.000(10) . 9_767
C22 C12 C13 C19 0.000(10) 9_767 9_767
C22 C12 C13 C19 0.000(9) 11_557 9_767
C13 C12 C13 C19 180.000(14) 3_765 9_767
C12 C12 C13 C18 0.000(10) 3_765 11_557
C19 C12 C13 C18 180.000(8) 9_767 11_557
C19 C12 C13 C18 0.000(7) 11_557 11_557
C18 C12 C13 C18 0.000(6) 9_767 11_557
C17 C12 C13 C18 0.000(12) 3_765 11_557
C17 C12 C13 C18 0.000(6) . 11_557
C11 C12 C13 C18 180.000(5) . 11_557
C22 C12 C13 C18 180.000(6) 9_767 11_557
C22 C12 C13 C18 180.000(7) 11_557 11_557
C13 C12 C13 C18 0.000(6) 3_765 11_557
C12 C12 C13 C14 0.000(8) 3_765 .
C19 C12 C13 C14 180.000(4) 9_767 .
C18 C12 C13 C14 0.000(3) 11_557 .
C19 C12 C13 C14 0.000(8) 11_557 .
C18 C12 C13 C14 0.000(2) 9_767 .
C17 C12 C13 C14 0.000(6) 3_765 .
C17 C12 C13 C14 0.000(2) . .
C11 C12 C13 C14 180.000(2) . .
C22 C12 C13 C14 180.000(2) 9_767 .
C22 C12 C13 C14 180.000(4) 11_557 .
C13 C12 C13 C14 0.000(4) 3_765 .
C12 C12 C13 C21 0.000(11) 3_765 9_767
C19 C12 C13 C21 180.000(5) 9_767 9_767
C18 C12 C13 C21 0.000(5) 11_557 9_767
C19 C12 C13 C21 0.000(6) 11_557 9_767
C18 C12 C13 C21 0.000(2) 9_767 9_767
C17 C12 C13 C21 0.000(9) 3_765 9_767
C17 C12 C13 C21 0.000(2) . 9_767
C11 C12 C13 C21 180.000(1) . 9_767
C22 C12 C13 C21 180.000(4) 9_767 9_767
C22 C12 C13 C21 180.000(2) 11_557 9_767
C13 C12 C13 C21 0.000(3) 3_765 9_767
C12 C12 C13 C16 0.000(9) 3_765 3_765
C19 C12 C13 C16 180.000(6) 9_767 3_765
C18 C12 C13 C16 0.000(5) 11_557 3_765
C19 C12 C13 C16 0.000(7) 11_557 3_765
C18 C12 C13 C16 0.000(2) 9_767 3_765
C17 C12 C13 C16 0.000(9) 3_765 3_765
C17 C12 C13 C16 0.000(2) . 3_765
C11 C12 C13 C16 180.000(3) . 3_765
C22 C12 C13 C16 180.000(1) 9_767 3_765
C22 C12 C13 C16 180.000(3) 11_557 3_765
C13 C12 C13 C16 0.000(2) 3_765 3_765
C19 C12 C13 C12 180.000(11) 9_767 3_765
C18 C12 C13 C12 0.000(15) 11_557 3_765
C19 C12 C13 C12 0.000(11) 11_557 3_765
C18 C12 C13 C12 0.000(14) 9_767 3_765
C17 C12 C13 C12 0.00(2) 3_765 3_765
C17 C12 C13 C12 0.000(14) . 3_765
C11 C12 C13 C12 180.000(16) . 3_765
C22 C12 C13 C12 180.000(15) 9_767 3_765
C22 C12 C13 C12 180.000(16) 11_557 3_765
C13 C12 C13 C12 0.000(14) 3_765 3_765
C12 C12 C13 C15 0.000(8) 3_765 11_557
C19 C12 C13 C15 180.000(6) 9_767 11_557
C18 C12 C13 C15 0.000(5) 11_557 11_557
C19 C12 C13 C15 0.000(5) 11_557 11_557
C18 C12 C13 C15 0.000(2) 9_767 11_557
C17 C12 C13 C15 0.000(8) 3_765 11_557
C17 C12 C13 C15 0.000(1) . 11_557
C11 C12 C13 C15 180.000(2) . 11_557
C22 C12 C13 C15 180.000(2) 9_767 11_557
C22 C12 C13 C15 180.000(2) 11_557 11_557
C13 C12 C13 C15 0.000(1) 3_765 11_557
C12 C12 C13 C18 0.000(8) 3_765 9_767
C19 C12 C13 C18 180.000(8) 9_767 9_767
C18 C12 C13 C18 0.000(7) 11_557 9_767
C19 C12 C13 C18 0.000(6) 11_557 9_767
C17 C12 C13 C18 0.000(8) 3_765 9_767
C17 C12 C13 C18 0.000(2) . 9_767
C11 C12 C13 C18 180.000(2) . 9_767
C22 C12 C13 C18 180.000(5) 9_767 9_767
C22 C12 C13 C18 180.000(6) 11_557 9_767
C13 C12 C13 C18 0.000(4) 3_765 9_767
C20 C13 C14 C21 0.000(5) 9_767 9_767
C17 C13 C14 C21 180.000(6) 3_765 9_767
C19 C13 C14 C21 180.000(4) 9_767 9_767
C18 C13 C14 C21 180.000(5) 11_557 9_767
C12 C13 C14 C21 180.000(5) . 9_767
C16 C13 C14 C21 180.000(6) 3_765 9_767
C12 C13 C14 C21 180.000(4) 3_765 9_767
C15 C13 C14 C21 180.000(5) 11_557 9_767
C18 C13 C14 C21 180.000(4) 9_767 9_767
C20 C13 C14 C16 180.000(6) 9_767 3_765
C17 C13 C14 C16 0.000(6) 3_765 3_765
C19 C13 C14 C16 0.000(5) 9_767 3_765
C18 C13 C14 C16 0.000(4) 11_557 3_765
C12 C13 C14 C16 0.000(4) . 3_765
C21 C13 C14 C16 180.000(3) 9_767 3_765
C12 C13 C14 C16 0.000(4) 3_765 3_765
C15 C13 C14 C16 0.000(6) 11_557 3_765
C18 C13 C14 C16 0.000(4) 9_767 3_765
C20 C13 C14 C14 180.00(6) 9_767 11_557
C17 C13 C14 C14 0.00(6) 3_765 11_557
C19 C13 C14 C14 0.00(9) 9_767 11_557
C18 C13 C14 C14 0.00(6) 11_557 11_557
C12 C13 C14 C14 0.00(8) . 11_557
C21 C13 C14 C14 180.00(9) 9_767 11_557
C16 C13 C14 C14 0.00(6) 3_765 11_557
C12 C13 C14 C14 0.00(6) 3_765 11_557
C15 C13 C14 C14 0.00(6) 11_557 11_557
C18 C13 C14 C14 0.00(6) 9_767 11_557
C20 C13 C14 C16 180.000(5) 9_767 9_767
C17 C13 C14 C16 0.000(5) 3_765 9_767
C19 C13 C14 C16 0.000(4) 9_767 9_767
C18 C13 C14 C16 0.000(4) 11_557 9_767
C12 C13 C14 C16 0.000(3) . 9_767
C21 C13 C14 C16 180.000(5) 9_767 9_767
C16 C13 C14 C16 0.000(7) 3_765 9_767
C12 C13 C14 C16 0.000(3) 3_765 9_767
C15 C13 C14 C16 0.000(4) 11_557 9_767
C18 C13 C14 C16 0.000(3) 9_767 9_767
C20 C13 C14 C21 0.000(10) 9_767 3_765
C17 C13 C14 C21 180.000(6) 3_765 3_765
C19 C13 C14 C21 180.000(8) 9_767 3_765
C18 C13 C14 C21 180.000(6) 11_557 3_765
C12 C13 C14 C21 180.000(7) . 3_765
C21 C13 C14 C21 0.000(7) 9_767 3_765
C16 C13 C14 C21 180.000(6) 3_765 3_765
C12 C13 C14 C21 180.000(7) 3_765 3_765
C15 C13 C14 C21 180.000(6) 11_557 3_765
C18 C13 C14 C21 180.000(7) 9_767 3_765
C20 C13 C14 C15 180.000(2) 9_767 11_557
C17 C13 C14 C15 0.000(2) 3_765 11_557
C19 C13 C14 C15 0.000(1) 9_767 11_557
C18 C13 C14 C15 0.0 11_557 11_557
C12 C13 C14 C15 0.000(1) . 11_557
C21 C13 C14 C15 180.000(2) 9_767 11_557
C16 C13 C14 C15 0.000(5) 3_765 11_557
C12 C13 C14 C15 0.000(2) 3_765 11_557
C18 C13 C14 C15 0.0 9_767 11_557
C20 C13 C14 C15 180.000(5) 9_767 .
C17 C13 C14 C15 0.000(4) 3_765 .
C19 C13 C14 C15 0.000(5) 9_767 .
C18 C13 C14 C15 0.000(3) 11_557 .
C12 C13 C14 C15 0.000(4) . .
C21 C13 C14 C15 180.000(2) 9_767 .
C16 C13 C14 C15 0.000(6) 3_765 .
C12 C13 C14 C15 0.000(1) 3_765 .
C15 C13 C14 C15 0.000(4) 11_557 .
C18 C13 C14 C15 0.000(2) 9_767 .
C20 C13 C14 C17 180.000(9) 9_767 3_765
C19 C13 C14 C17 0.000(7) 9_767 3_765
C18 C13 C14 C17 0.000(8) 11_557 3_765
C12 C13 C14 C17 0.000(6) . 3_765
C21 C13 C14 C17 180.000(2) 9_767 3_765
C16 C13 C14 C17 0.000(8) 3_765 3_765
C12 C13 C14 C17 0.000(6) 3_765 3_765
C15 C13 C14 C17 0.000(9) 11_557 3_765
C18 C13 C14 C17 0.000(7) 9_767 3_765
C17 C13 C14 C20 180.000(3) 3_765 9_767
C19 C13 C14 C20 180.000(2) 9_767 9_767
C18 C13 C14 C20 180.000(2) 11_557 9_767
C12 C13 C14 C20 180.000(2) . 9_767
C21 C13 C14 C20 0.000(8) 9_767 9_767
C16 C13 C14 C20 180.000(6) 3_765 9_767
C12 C13 C14 C20 180.000(2) 3_765 9_767
C15 C13 C14 C20 180.000(3) 11_557 9_767
C18 C13 C14 C20 180.000(2) 9_767 9_767
C20 C13 C14 C18 180.000(2) 9_767 11_557
C17 C13 C14 C18 0.000(7) 3_765 11_557
C19 C13 C14 C18 0.000(4) 9_767 11_557
C12 C13 C14 C18 0.0 . 11_557
C21 C13 C14 C18 180.000(3) 9_767 11_557
C16 C13 C14 C18 0.000(6) 3_765 11_557
C12 C13 C14 C18 0.0 3_765 11_557
C15 C13 C14 C18 0.000(4) 11_557 11_557
C18 C13 C14 C18 0.0 9_767 11_557
C20 C13 C14 C15 180.000(3) 9_767 9_767
C17 C13 C14 C15 0.000(3) 3_765 9_767
C19 C13 C14 C15 0.000(2) 9_767 9_767
C18 C13 C14 C15 0.000(2) 11_557 9_767
C12 C13 C14 C15 0.000(1) . 9_767
C21 C13 C14 C15 180.000(1) 9_767 9_767
C16 C13 C14 C15 0.000(7) 3_765 9_767
C12 C13 C14 C15 0.0 3_765 9_767
C15 C13 C14 C15 0.000(3) 11_557 9_767
C18 C13 C14 C15 0.000(2) 9_767 9_767
C21 C14 C15 C16 0.00(2) 9_767 9_767
C16 C14 C15 C16 180.00(2) 3_765 9_767
C14 C14 C15 C16 0.000(19) 11_557 9_767
C21 C14 C15 C16 0.000(12) 3_765 9_767
C15 C14 C15 C16 180.000(15) 11_557 9_767
C13 C14 C15 C16 180.000(18) . 9_767
C17 C14 C15 C16 180.000(16) 3_765 9_767
C20 C14 C15 C16 180.000(19) 9_767 9_767
C18 C14 C15 C16 180.000(15) 11_557 9_767
C15 C14 C15 C16 180.000(13) 9_767 9_767
C21 C14 C15 C15 180.000(15) 9_767 11_557
C16 C14 C15 C15 0.000(14) 3_765 11_557
C14 C14 C15 C15 180.000(5) 11_557 11_557
C16 C14 C15 C15 180.000(17) 9_767 11_557
C21 C14 C15 C15 180.000(4) 3_765 11_557
C13 C14 C15 C15 0.000(4) . 11_557
C17 C14 C15 C15 0.000(4) 3_765 11_557
C20 C14 C15 C15 0.000(5) 9_767 11_557
C18 C14 C15 C15 0.000(1) 11_557 11_557
C15 C14 C15 C15 0.000(4) 9_767 11_557
C21 C14 C15 C15 180.000(10) 9_767 3_765
C16 C14 C15 C15 0.000(10) 3_765 3_765
C14 C14 C15 C15 180.000(9) 11_557 3_765
C16 C14 C15 C15 180.00(2) 9_767 3_765
C21 C14 C15 C15 180.000(5) 3_765 3_765
C15 C14 C15 C15 0.000(7) 11_557 3_765
C13 C14 C15 C15 0.000(6) . 3_765
C17 C14 C15 C15 0.000(5) 3_765 3_765
C20 C14 C15 C15 0.000(9) 9_767 3_765
C18 C14 C15 C15 0.000(7) 11_557 3_765
C15 C14 C15 C15 0.000(8) 9_767 3_765
C21 C14 C15 C16 180.000(17) 9_767 3_765
C14 C14 C15 C16 180.000(8) 11_557 3_765
C16 C14 C15 C16 180.000(13) 9_767 3_765
C21 C14 C15 C16 180.000(8) 3_765 3_765
C15 C14 C15 C16 0.000(12) 11_557 3_765
C13 C14 C15 C16 0.000(7) . 3_765
C17 C14 C15 C16 0.000(8) 3_765 3_765
C20 C14 C15 C16 0.000(7) 9_767 3_765
C18 C14 C15 C16 0.000(8) 11_557 3_765
C15 C14 C15 C16 0.000(11) 9_767 3_765
C21 C14 C15 C15 180.000(15) 9_767 9_767
C16 C14 C15 C15 0.000(13) 3_765 9_767
C14 C14 C15 C15 180.000(7) 11_557 9_767
C16 C14 C15 C15 180.000(18) 9_767 9_767
C21 C14 C15 C15 180.000(4) 3_765 9_767
C15 C14 C15 C15 0.000(7) 11_557 9_767
C13 C14 C15 C15 0.000(4) . 9_767
C17 C14 C15 C15 0.000(3) 3_765 9_767
C20 C14 C15 C15 0.000(5) 9_767 9_767
C18 C14 C15 C15 0.0 11_557 9_767
C21 C14 C15 C14 0.000(11) 9_767 11_557
C16 C14 C15 C14 180.000(11) 3_765 11_557
C16 C14 C15 C14 0.00(2) 9_767 11_557
C21 C14 C15 C14 0.000(8) 3_765 11_557
C15 C14 C15 C14 180.000(6) 11_557 11_557
C13 C14 C15 C14 180.000(6) . 11_557
C17 C14 C15 C14 180.000(4) 3_765 11_557
C20 C14 C15 C14 180.000(7) 9_767 11_557
C18 C14 C15 C14 180.000(4) 11_557 11_557
C15 C14 C15 C14 180.000(1) 9_767 11_557
C21 C14 C15 C16 180.000(9) 9_767 11_557
C16 C14 C15 C16 0.000(9) 3_765 11_557
C14 C14 C15 C16 180.000(3) 11_557 11_557
C16 C14 C15 C16 180.00(2) 9_767 11_557
C21 C14 C15 C16 180.000(3) 3_765 11_557
C15 C14 C15 C16 0.000(5) 11_557 11_557
C13 C14 C15 C16 0.000(3) . 11_557
C17 C14 C15 C16 0.000(3) 3_765 11_557
C20 C14 C15 C16 0.000(3) 9_767 11_557
C18 C14 C15 C16 0.000(2) 11_557 11_557
C15 C14 C15 C16 0.000(2) 9_767 11_557
C21 C14 C15 C18 0.000(10) 9_767 .
C16 C14 C15 C18 180.000(13) 3_765 .
C14 C14 C15 C18 0.000(4) 11_557 .
C16 C14 C15 C18 0.000(17) 9_767 .
C21 C14 C15 C18 0.000(5) 3_765 .
C15 C14 C15 C18 180.000(8) 11_557 .
C13 C14 C15 C18 180.000(2) . .
C17 C14 C15 C18 180.000(3) 3_765 .
C20 C14 C15 C18 180.000(2) 9_767 .
C18 C14 C15 C18 180.0 11_557 .
C15 C14 C15 C18 180.000(3) 9_767 .
C21 C14 C15 C16 180.000(9) 9_767 .
C16 C14 C15 C16 0.000(11) 3_765 .
C14 C14 C15 C16 180.000(5) 11_557 .
C16 C14 C15 C16 180.000(17) 9_767 .
C21 C14 C15 C16 180.000(2) 3_765 .
C15 C14 C15 C16 0.000(4) 11_557 .
C13 C14 C15 C16 0.000(3) . .
C17 C14 C15 C16 0.000(3) 3_765 .
C20 C14 C15 C16 0.000(5) 9_767 .
C18 C14 C15 C16 0.000(3) 11_557 .
C15 C14 C15 C16 0.000(4) 9_767 .
C21 C14 C15 C17 0.000(12) 9_767 9_767
C16 C14 C15 C17 180.000(14) 3_765 9_767
C14 C14 C15 C17 0.000(3) 11_557 9_767
C16 C14 C15 C17 0.000(17) 9_767 9_767
C21 C14 C15 C17 0.000(2) 3_765 9_767
C15 C14 C15 C17 180.000(5) 11_557 9_767
C13 C14 C15 C17 180.000(2) . 9_767
C17 C14 C15 C17 180.000(3) 3_765 9_767
C20 C14 C15 C17 180.000(3) 9_767 9_767
C18 C14 C15 C17 180.000(3) 11_557 9_767
C15 C14 C15 C17 180.000(4) 9_767 9_767
C21 C14 C15 C18 0.000(3) 9_767 3_765
C16 C14 C15 C18 180.000(10) 3_765 3_765
C14 C14 C15 C18 0.000(3) 11_557 3_765
C16 C14 C15 C18 0.000(15) 9_767 3_765
C21 C14 C15 C18 0.000(3) 3_765 3_765
C15 C14 C15 C18 180.000(4) 11_557 3_765
C13 C14 C15 C18 180.000(4) . 3_765
C17 C14 C15 C18 180.000(6) 3_765 3_765
C20 C14 C15 C18 180.000(4) 9_767 3_765
C18 C14 C15 C18 180.000(6) 11_557 3_765
C15 C14 C15 C18 180.000(8) 9_767 3_765
C16 C15 C16 C15 0.000(16) 9_767 9_767
C15 C15 C16 C15 0.000(12) 11_557 9_767
C15 C15 C16 C15 180.000(15) 3_765 9_767
C16 C15 C16 C15 0.000(11) 3_765 9_767
C14 C15 C16 C15 0.000(13) 11_557 9_767
C16 C15 C16 C15 180.000(12) 11_557 9_767
C18 C15 C16 C15 180.000(10) . 9_767
C14 C15 C16 C15 0.000(10) . 9_767
C17 C15 C16 C15 180.000(11) 9_767 9_767
C18 C15 C16 C15 180.000(9) 3_765 9_767
C16 C15 C16 C16 180.000(11) 9_767 11_557
C15 C15 C16 C16 180.000(6) 11_557 11_557
C15 C15 C16 C16 0.000(11) 3_765 11_557
C16 C15 C16 C16 180.000(6) 3_765 11_557
C15 C15 C16 C16 180.000(13) 9_767 11_557
C14 C15 C16 C16 180.000(10) 11_557 11_557
C18 C15 C16 C16 0.000(5) . 11_557
C14 C15 C16 C16 180.000(6) . 11_557
C17 C15 C16 C16 0.000(4) 9_767 11_557
C18 C15 C16 C16 0.000(6) 3_765 11_557
C16 C15 C16 C14 180.000(12) 9_767 3_765
C15 C15 C16 C14 180.000(12) 11_557 3_765
C15 C15 C16 C14 0.000(11) 3_765 3_765
C16 C15 C16 C14 180.000(12) 3_765 3_765
C15 C15 C16 C14 180.00(2) 9_767 3_765
C14 C15 C16 C14 180.000(11) 11_557 3_765
C16 C15 C16 C14 0.000(11) 11_557 3_765
C18 C15 C16 C14 0.000(12) . 3_765
C14 C15 C16 C14 180.000(13) . 3_765
C17 C15 C16 C14 0.000(13) 9_767 3_765
C18 C15 C16 C14 0.000(12) 3_765 3_765
C16 C15 C16 C15 180.000(14) 9_767 3_765
C15 C15 C16 C15 180.000(9) 11_557 3_765
C16 C15 C16 C15 180.000(9) 3_765 3_765
C15 C15 C16 C15 180.000(12) 9_767 3_765
C14 C15 C16 C15 180.000(12) 11_557 3_765
C16 C15 C16 C15 0.000(11) 11_557 3_765
C18 C15 C16 C15 0.000(8) . 3_765
C14 C15 C16 C15 180.000(7) . 3_765
C17 C15 C16 C15 0.000(8) 9_767 3_765
C18 C15 C16 C15 0.000(8) 3_765 3_765
C16 C15 C16 C14 180.000(7) 9_767 9_767
C15 C15 C16 C14 180.000(2) 11_557 9_767
C15 C15 C16 C14 0.000(6) 3_765 9_767
C16 C15 C16 C14 180.0 3_765 9_767
C15 C15 C16 C14 180.000(10) 9_767 9_767
C14 C15 C16 C14 180.000(8) 11_557 9_767
C16 C15 C16 C14 0.000(4) 11_557 9_767
C18 C15 C16 C14 0.000(2) . 9_767
C14 C15 C16 C14 180.000(2) . 9_767
C17 C15 C16 C14 0.000(3) 9_767 9_767
C18 C15 C16 C14 0.000(1) 3_765 9_767
C16 C15 C16 C21 180.000(9) 9_767 11_557
C15 C15 C16 C21 180.000(8) 11_557 11_557
C15 C15 C16 C21 0.000(9) 3_765 11_557
C16 C15 C16 C21 180.000(8) 3_765 11_557
C15 C15 C16 C21 180.000(9) 9_767 11_557
C14 C15 C16 C21 180.000(9) 11_557 11_557
C16 C15 C16 C21 0.000(8) 11_557 11_557
C18 C15 C16 C21 0.000(9) . 11_557
C14 C15 C16 C21 180.000(10) . 11_557
C17 C15 C16 C21 0.000(9) 9_767 11_557
C18 C15 C16 C21 0.000(9) 3_765 11_557
C16 C15 C16 C15 0.000(9) 9_767 11_557
C15 C15 C16 C15 180.000(8) 3_765 11_557
C16 C15 C16 C15 0.000(4) 3_765 11_557
C15 C15 C16 C15 0.000(15) 9_767 11_557
C14 C15 C16 C15 0.000(6) 11_557 11_557
C16 C15 C16 C15 180.000(6) 11_557 11_557
C18 C15 C16 C15 180.000(6) . 11_557
C14 C15 C16 C15 0.000(6) . 11_557
C17 C15 C16 C15 180.000(4) 9_767 11_557
C18 C15 C16 C15 180.000(7) 3_765 11_557
C16 C15 C16 C17 0.000(7) 9_767 .
C15 C15 C16 C17 0.000(3) 11_557 .
C15 C15 C16 C17 180.000(6) 3_765 .
C16 C15 C16 C17 0.000(2) 3_765 .
C15 C15 C16 C17 0.000(11) 9_767 .
C14 C15 C16 C17 0.000(6) 11_557 .
C16 C15 C16 C17 180.000(5) 11_557 .
C18 C15 C16 C17 180.000(1) . .
C14 C15 C16 C17 0.000(2) . .
C17 C15 C16 C17 180.000(2) 9_767 .
C18 C15 C16 C17 180.000(1) 3_765 .
C16 C15 C16 C21 180.000(10) 9_767 .
C15 C15 C16 C21 180.000(5) 11_557 .
C15 C15 C16 C21 0.000(9) 3_765 .
C16 C15 C16 C21 180.000(4) 3_765 .
C15 C15 C16 C21 180.000(14) 9_767 .
C14 C15 C16 C21 180.000(5) 11_557 .
C16 C15 C16 C21 0.000(7) 11_557 .
C18 C15 C16 C21 0.000(6) . .
C14 C15 C16 C21 180.000(3) . .
C17 C15 C16 C21 0.000(7) 9_767 .
C18 C15 C16 C21 0.000(4) 3_765 .
C16 C15 C16 C18 0.000(12) 9_767 9_767
C15 C15 C16 C18 0.000(5) 11_557 9_767
C15 C15 C16 C18 180.000(8) 3_765 9_767
C16 C15 C16 C18 0.000(4) 3_765 9_767
C15 C15 C16 C18 0.000(14) 9_767 9_767
C14 C15 C16 C18 0.000(9) 11_557 9_767
C16 C15 C16 C18 180.000(7) 11_557 9_767
C18 C15 C16 C18 180.000(3) . 9_767
C14 C15 C16 C18 0.000(3) . 9_767
C17 C15 C16 C18 180.000(4) 9_767 9_767
C18 C15 C16 C18 180.000(3) 3_765 9_767
C16 C15 C16 C13 0.000(8) 9_767 3_765
C15 C15 C16 C13 0.000(3) 11_557 3_765
C15 C15 C16 C13 180.000(7) 3_765 3_765
C16 C15 C16 C13 0.000(2) 3_765 3_765
C15 C15 C16 C13 0.000(10) 9_767 3_765
C14 C15 C16 C13 0.000(6) 11_557 3_765
C16 C15 C16 C13 180.000(6) 11_557 3_765
C18 C15 C16 C13 180.000(2) . 3_765
C14 C15 C16 C13 0.000(3) . 3_765
C17 C15 C16 C13 180.000(3) 9_767 3_765
C18 C15 C16 C13 180.000(2) 3_765 3_765
C12 C12 C17 C18 180.000(18) 3_765 9_767
C19 C12 C17 C18 0.000(19) 9_767 9_767
C18 C12 C17 C18 0.000(17) 11_557 9_767
C19 C12 C17 C18 180.000(15) 11_557 9_767
C17 C12 C17 C18 0.000(14) 3_765 9_767
C13 C12 C17 C18 0.000(14) . 9_767
C11 C12 C17 C18 180.000(15) . 9_767
C22 C12 C17 C18 180.000(17) 9_767 9_767
C22 C12 C17 C18 180.000(14) 11_557 9_767
C13 C12 C17 C18 180.000(12) 3_765 9_767
C12 C12 C17 C13 0.000(8) 3_765 3_765
C19 C12 C17 C13 180.000(9) 9_767 3_765
C18 C12 C17 C13 180.000(4) 11_557 3_765
C19 C12 C17 C13 0.000(5) 11_557 3_765
C18 C12 C17 C13 180.000(17) 9_767 3_765
C17 C12 C17 C13 180.000(4) 3_765 3_765
C13 C12 C17 C13 180.000(4) . 3_765
C11 C12 C17 C13 0.000(6) . 3_765
C22 C12 C17 C13 0.000(7) 9_767 3_765
C22 C12 C17 C13 0.000(7) 11_557 3_765
C12 C12 C17 C19 0.000(12) 3_765 11_557
C19 C12 C17 C19 180.000(14) 9_767 11_557
C18 C12 C17 C19 180.000(5) 11_557 11_557
C18 C12 C17 C19 180.000(15) 9_767 11_557
C17 C12 C17 C19 180.000(4) 3_765 11_557
C13 C12 C17 C19 180.000(4) . 11_557
C11 C12 C17 C19 0.000(3) . 11_557
C22 C12 C17 C19 0.000(3) 9_767 11_557
C22 C12 C17 C19 0.000(3) 11_557 11_557
C13 C12 C17 C19 0.000(5) 3_765 11_557
C19 C12 C17 C12 180.000(16) 9_767 3_765
C18 C12 C17 C12 180.000(8) 11_557 3_765
C19 C12 C17 C12 0.000(10) 11_557 3_765
C18 C12 C17 C12 180.000(11) 9_767 3_765
C17 C12 C17 C12 180.000(6) 3_765 3_765
C13 C12 C17 C12 180.000(9) . 3_765
C11 C12 C17 C12 0.000(8) . 3_765
C22 C12 C17 C12 0.000(8) 9_767 3_765
C22 C12 C17 C12 0.000(8) 11_557 3_765
C13 C12 C17 C12 0.000(9) 3_765 3_765
C12 C12 C17 C20 0.000(8) 3_765 11_557
C19 C12 C17 C20 180.000(9) 9_767 11_557
C18 C12 C17 C20 180.000(3) 11_557 11_557
C19 C12 C17 C20 0.000(4) 11_557 11_557
C18 C12 C17 C20 180.000(18) 9_767 11_557
C17 C12 C17 C20 180.000(3) 3_765 11_557
C13 C12 C17 C20 180.000(4) . 11_557
C11 C12 C17 C20 0.000(1) . 11_557
C22 C12 C17 C20 0.000(2) 9_767 11_557
C22 C12 C17 C20 0.000(3) 11_557 11_557
C13 C12 C17 C20 0.000(3) 3_765 11_557
C12 C12 C17 C18 180.000(9) 3_765 11_557
C19 C12 C17 C18 0.000(10) 9_767 11_557
C19 C12 C17 C18 180.000(3) 11_557 11_557
C18 C12 C17 C18 0.000(19) 9_767 11_557
C17 C12 C17 C18 0.000(5) 3_765 11_557
C13 C12 C17 C18 0.000(5) . 11_557
C11 C12 C17 C18 180.000(4) . 11_557
C22 C12 C17 C18 180.000(6) 9_767 11_557
C22 C12 C17 C18 180.000(4) 11_557 11_557
C13 C12 C17 C18 180.000(4) 3_765 11_557
C12 C12 C17 C16 180.000(9) 3_765 .
C19 C12 C17 C16 0.000(8) 9_767 .
C18 C12 C17 C16 0.000(2) 11_557 .
C19 C12 C17 C16 180.000(2) 11_557 .
C18 C12 C17 C16 0.000(13) 9_767 .
C17 C12 C17 C16 0.000(2) 3_765 .
C13 C12 C17 C16 0.000(3) . .
C11 C12 C17 C16 180.0 . .
C22 C12 C17 C16 180.0 9_767 .
C22 C12 C17 C16 180.0 11_557 .
C13 C12 C17 C16 180.000(5) 3_765 .
C12 C12 C17 C14 180.000(4) 3_765 3_765
C19 C12 C17 C14 0.000(10) 9_767 3_765
C18 C12 C17 C14 0.000(3) 11_557 3_765
C19 C12 C17 C14 180.000(7) 11_557 3_765
C18 C12 C17 C14 0.000(14) 9_767 3_765
C17 C12 C17 C14 0.000(3) 3_765 3_765
C13 C12 C17 C14 0.000(4) . 3_765
C11 C12 C17 C14 180.000(3) . 3_765
C22 C12 C17 C14 180.000(3) 9_767 3_765
C22 C12 C17 C14 180.000(3) 11_557 3_765
C13 C12 C17 C14 180.000(7) 3_765 3_765
C12 C12 C17 C15 180.000(8) 3_765 9_767
C19 C12 C17 C15 0.000(13) 9_767 9_767
C18 C12 C17 C15 0.000(5) 11_557 9_767
C19 C12 C17 C15 180.000(4) 11_557 9_767
C18 C12 C17 C15 0.000(18) 9_767 9_767
C17 C12 C17 C15 0.000(3) 3_765 9_767
C13 C12 C17 C15 0.000(2) . 9_767
C11 C12 C17 C15 180.000(2) . 9_767
C22 C12 C17 C15 180.000(2) 9_767 9_767
C22 C12 C17 C15 180.000(2) 11_557 9_767
C13 C12 C17 C15 180.000(5) 3_765 9_767
C12 C12 C17 C21 180.000(6) 3_765 11_557
C19 C12 C17 C21 0.000(6) 9_767 11_557
C18 C12 C17 C21 0.000(5) 11_557 11_557
C19 C12 C17 C21 180.000(6) 11_557 11_557
C18 C12 C17 C21 0.000(10) 9_767 11_557
C17 C12 C17 C21 0.000(5) 3_765 11_557
C13 C12 C17 C21 0.000(7) . 11_557
C11 C12 C17 C21 180.000(5) . 11_557
C22 C12 C17 C21 180.000(5) 9_767 11_557
C22 C12 C17 C21 180.000(6) 11_557 11_557
C13 C12 C17 C21 180.000(12) 3_765 11_557
C12 C12 C17 C19 180.000(9) 3_765 9_767
C18 C12 C17 C19 0.000(6) 11_557 9_767
C19 C12 C17 C19 180.000(7) 11_557 9_767
C18 C12 C17 C19 0.00(4) 9_767 9_767
C17 C12 C17 C19 0.000(6) 3_765 9_767
C13 C12 C17 C19 0.000(7) . 9_767
C11 C12 C17 C19 180.000(6) . 9_767
C22 C12 C17 C19 180.000(6) 9_767 9_767
C22 C12 C17 C19 180.000(6) 11_557 9_767
C13 C12 C17 C19 180.000(14) 3_765 9_767
C15 C16 C17 C18 0.000(8) 9_767 9_767
C16 C16 C17 C18 180.00(10) 11_557 9_767
C14 C16 C17 C18 180.000(7) 3_765 9_767
C15 C16 C17 C18 0.000(9) 3_765 9_767
C14 C16 C17 C18 180.000(8) 9_767 9_767
C21 C16 C17 C18 180.000(6) 11_557 9_767
C15 C16 C17 C18 0.000(4) 11_557 9_767
C15 C16 C17 C18 0.000(6) . 9_767
C21 C16 C17 C18 180.000(6) . 9_767
C13 C16 C17 C18 180.000(5) 3_765 9_767
C15 C16 C17 C13 180.000(9) 9_767 3_765
C16 C16 C17 C13 0.00(8) 11_557 3_765
C14 C16 C17 C13 0.000(6) 3_765 3_765
C15 C16 C17 C13 180.000(7) 3_765 3_765
C14 C16 C17 C13 0.000(5) 9_767 3_765
C21 C16 C17 C13 0.000(5) 11_557 3_765
C15 C16 C17 C13 180.000(4) 11_557 3_765
C15 C16 C17 C13 180.000(2) . 3_765
C21 C16 C17 C13 0.000(4) . 3_765
C18 C16 C17 C13 180.000(10) 9_767 3_765
C15 C16 C17 C19 0.000(12) 9_767 11_557
C16 C16 C17 C19 180.00(10) 11_557 11_557
C14 C16 C17 C19 180.000(18) 3_765 11_557
C15 C16 C17 C19 0.000(13) 3_765 11_557
C14 C16 C17 C19 180.000(16) 9_767 11_557
C21 C16 C17 C19 180.000(18) 11_557 11_557
C15 C16 C17 C19 0.000(15) 11_557 11_557
C15 C16 C17 C19 0.000(16) . 11_557
C21 C16 C17 C19 180.000(16) . 11_557
C18 C16 C17 C19 0.000(8) 9_767 11_557
C13 C16 C17 C19 180.00(2) 3_765 11_557
C15 C16 C17 C12 0.000(6) 9_767 3_765
C16 C16 C17 C12 180.00(10) 11_557 3_765
C14 C16 C17 C12 180.000(3) 3_765 3_765
C15 C16 C17 C12 0.000(5) 3_765 3_765
C14 C16 C17 C12 180.000(3) 9_767 3_765
C21 C16 C17 C12 180.000(2) 11_557 3_765
C15 C16 C17 C12 0.000(3) 11_557 3_765
C15 C16 C17 C12 0.000(2) . 3_765
C21 C16 C17 C12 180.000(2) . 3_765
C18 C16 C17 C12 0.000(7) 9_767 3_765
C13 C16 C17 C12 180.000(8) 3_765 3_765
C15 C16 C17 C20 180.000(6) 9_767 11_557
C16 C16 C17 C20 0.00(8) 11_557 11_557
C14 C16 C17 C20 0.000(1) 3_765 11_557
C15 C16 C17 C20 180.000(5) 3_765 11_557
C14 C16 C17 C20 0.000(2) 9_767 11_557
C21 C16 C17 C20 0.0 11_557 11_557
C15 C16 C17 C20 180.000(3) 11_557 11_557
C15 C16 C17 C20 180.000(3) . 11_557
C21 C16 C17 C20 0.000(1) . 11_557
C18 C16 C17 C20 180.000(8) 9_767 11_557
C13 C16 C17 C20 0.000(5) 3_765 11_557
C15 C16 C17 C18 0.000(4) 9_767 11_557
C16 C16 C17 C18 180.00(8) 11_557 11_557
C14 C16 C17 C18 180.000(4) 3_765 11_557
C15 C16 C17 C18 0.000(4) 3_765 11_557
C14 C16 C17 C18 180.000(3) 9_767 11_557
C21 C16 C17 C18 180.000(3) 11_557 11_557
C15 C16 C17 C18 0.000(2) 11_557 11_557
C15 C16 C17 C18 0.0 . 11_557
C21 C16 C17 C18 180.000(2) . 11_557
C18 C16 C17 C18 0.000(5) 9_767 11_557
C13 C16 C17 C18 180.000(3) 3_765 11_557
C15 C16 C17 C12 0.000(3) 9_767 .
C16 C16 C17 C12 180.00(10) 11_557 .
C14 C16 C17 C12 180.000(2) 3_765 .
C15 C16 C17 C12 0.000(5) 3_765 .
C14 C16 C17 C12 180.0 9_767 .
C21 C16 C17 C12 180.000(1) 11_557 .
C15 C16 C17 C12 0.000(2) 11_557 .
C15 C16 C17 C12 0.000(1) . .
C21 C16 C17 C12 180.0 . .
C18 C16 C17 C12 0.000(7) 9_767 .
C13 C16 C17 C12 180.000(6) 3_765 .
C15 C16 C17 C14 180.000(7) 9_767 3_765
C16 C16 C17 C14 0.00(8) 11_557 3_765
C15 C16 C17 C14 180.000(9) 3_765 3_765
C14 C16 C17 C14 0.000(6) 9_767 3_765
C21 C16 C17 C14 0.000(7) 11_557 3_765
C15 C16 C17 C14 180.000(6) 11_557 3_765
C15 C16 C17 C14 180.000(5) . 3_765
C21 C16 C17 C14 0.000(6) . 3_765
C18 C16 C17 C14 180.000(3) 9_767 3_765
C13 C16 C17 C14 0.000(9) 3_765 3_765
C16 C16 C17 C15 180.00(9) 11_557 9_767
C14 C16 C17 C15 180.000(5) 3_765 9_767
C15 C16 C17 C15 0.000(10) 3_765 9_767
C14 C16 C17 C15 180.000(5) 9_767 9_767
C21 C16 C17 C15 180.000(4) 11_557 9_767
C15 C16 C17 C15 0.000(4) 11_557 9_767
C15 C16 C17 C15 0.000(5) . 9_767
C21 C16 C17 C15 180.000(4) . 9_767
C18 C16 C17 C15 0.000(10) 9_767 9_767
C13 C16 C17 C15 180.000(2) 3_765 9_767
C15 C16 C17 C21 180.000(5) 9_767 11_557
C16 C16 C17 C21 0.00(8) 11_557 11_557
C14 C16 C17 C21 0.000(3) 3_765 11_557
C15 C16 C17 C21 180.000(5) 3_765 11_557
C14 C16 C17 C21 0.000(1) 9_767 11_557
C15 C16 C17 C21 180.000(2) 11_557 11_557
C15 C16 C17 C21 180.000(1) . 11_557
C21 C16 C17 C21 0.0 . 11_557
C18 C16 C17 C21 180.000(6) 9_767 11_557
C13 C16 C17 C21 0.000(7) 3_765 11_557
C15 C16 C17 C19 0.000(5) 9_767 9_767
C16 C16 C17 C19 180.00(9) 11_557 9_767
C14 C16 C17 C19 180.000(5) 3_765 9_767
C15 C16 C17 C19 0.000(6) 3_765 9_767
C14 C16 C17 C19 180.000(3) 9_767 9_767
C21 C16 C17 C19 180.000(3) 11_557 9_767
C15 C16 C17 C19 0.0 11_557 9_767
C15 C16 C17 C19 0.000(3) . 9_767
C21 C16 C17 C19 180.000(3) . 9_767
C18 C16 C17 C19 0.000(5) 9_767 9_767
C13 C16 C17 C19 180.000(8) 3_765 9_767
C16 C15 C18 C17 0.000(8) 9_767 9_767
C15 C15 C18 C17 0.00(10) 11_557 9_767
C15 C15 C18 C17 180.000(6) 3_765 9_767
C16 C15 C18 C17 0.000(7) 3_765 9_767
C15 C15 C18 C17 180.000(6) 9_767 9_767
C14 C15 C18 C17 0.000(3) 11_557 9_767
C16 C15 C18 C17 180.000(5) 11_557 9_767
C14 C15 C18 C17 0.000(4) . 9_767
C16 C15 C18 C17 180.000(5) . 9_767
C18 C15 C18 C17 180.000(6) 3_765 9_767
C16 C15 C18 C12 180.000(7) 9_767 11_557
C15 C15 C18 C12 180.00(10) 11_557 11_557
C15 C15 C18 C12 0.000(14) 3_765 11_557
C16 C15 C18 C12 180.000(8) 3_765 11_557
C15 C15 C18 C12 0.000(16) 9_767 11_557
C14 C15 C18 C12 180.000(10) 11_557 11_557
C16 C15 C18 C12 0.000(14) 11_557 11_557
C14 C15 C18 C12 180.000(7) . 11_557
C16 C15 C18 C12 0.000(15) . 11_557
C17 C15 C18 C12 180.000(15) 9_767 11_557
C18 C15 C18 C12 0.000(12) 3_765 11_557
C16 C15 C18 C19 0.000(13) 9_767 3_765
C15 C15 C18 C19 0.00(11) 11_557 3_765
C15 C15 C18 C19 180.000(13) 3_765 3_765
C16 C15 C18 C19 0.000(18) 3_765 3_765
C15 C15 C18 C19 180.000(14) 9_767 3_765
C14 C15 C18 C19 0.000(13) 11_557 3_765
C16 C15 C18 C19 180.000(13) 11_557 3_765
C14 C15 C18 C19 0.000(15) . 3_765
C16 C15 C18 C19 180.000(13) . 3_765
C17 C15 C18 C19 0.000(19) 9_767 3_765
C18 C15 C18 C19 180.000(13) 3_765 3_765
C16 C15 C18 C18 180.000(6) 9_767 3_765
C15 C15 C18 C18 180.00(11) 11_557 3_765
C15 C15 C18 C18 0.000(6) 3_765 3_765
C16 C15 C18 C18 180.000(7) 3_765 3_765
C15 C15 C18 C18 0.000(6) 9_767 3_765
C14 C15 C18 C18 180.000(2) 11_557 3_765
C16 C15 C18 C18 0.000(5) 11_557 3_765
C14 C15 C18 C18 180.000(5) . 3_765
C16 C15 C18 C18 0.000(5) . 3_765
C17 C15 C18 C18 180.000(4) 9_767 3_765
C16 C15 C18 C12 180.000(6) 9_767 9_767
C15 C15 C18 C12 180.00(11) 11_557 9_767
C15 C15 C18 C12 0.000(3) 3_765 9_767
C16 C15 C18 C12 180.000(7) 3_765 9_767
C15 C15 C18 C12 0.000(3) 9_767 9_767
C14 C15 C18 C12 180.000(3) 11_557 9_767
C16 C15 C18 C12 0.000(2) 11_557 9_767
C14 C15 C18 C12 180.000(3) . 9_767
C16 C15 C18 C12 0.000(2) . 9_767
C17 C15 C18 C12 180.000(4) 9_767 9_767
C18 C15 C18 C12 0.000(4) 3_765 9_767
C16 C15 C18 C13 0.000(6) 9_767 11_557
C15 C15 C18 C13 0.00(9) 11_557 11_557
C15 C15 C18 C13 180.000(4) 3_765 11_557
C16 C15 C18 C13 0.000(6) 3_765 11_557
C15 C15 C18 C13 180.000(3) 9_767 11_557
C14 C15 C18 C13 0.000(2) 11_557 11_557
C16 C15 C18 C13 180.000(3) 11_557 11_557
C14 C15 C18 C13 0.000(2) . 11_557
C16 C15 C18 C13 180.000(3) . 11_557
C17 C15 C18 C13 0.000(7) 9_767 11_557
C18 C15 C18 C13 180.000(4) 3_765 11_557
C16 C15 C18 C17 180.000(7) 9_767 11_557
C15 C15 C18 C17 180.00(11) 11_557 11_557
C15 C15 C18 C17 0.000(2) 3_765 11_557
C16 C15 C18 C17 180.000(7) 3_765 11_557
C15 C15 C18 C17 0.0 9_767 11_557
C14 C15 C18 C17 180.000(2) 11_557 11_557
C16 C15 C18 C17 0.000(1) 11_557 11_557
C14 C15 C18 C17 180.000(3) . 11_557
C16 C15 C18 C17 0.000(2) . 11_557
C17 C15 C18 C17 180.000(3) 9_767 11_557
C18 C15 C18 C17 0.000(5) 3_765 11_557
C16 C15 C18 C19 180.000(5) 9_767 .
C15 C15 C18 C19 180.00(11) 11_557 .
C15 C15 C18 C19 0.000(3) 3_765 .
C16 C15 C18 C19 180.000(6) 3_765 .
C15 C15 C18 C19 0.000(6) 9_767 .
C14 C15 C18 C19 180.000(5) 11_557 .
C16 C15 C18 C19 0.000(4) 11_557 .
C14 C15 C18 C19 180.000(2) . .
C16 C15 C18 C19 0.000(5) . .
C17 C15 C18 C19 180.000(4) 9_767 .
C18 C15 C18 C19 0.000(4) 3_765 .
C15 C15 C18 C16 0.00(11) 11_557 9_767
C15 C15 C18 C16 180.000(3) 3_765 9_767
C16 C15 C18 C16 0.000(8) 3_765 9_767
C15 C15 C18 C16 180.000(14) 9_767 9_767
C14 C15 C18 C16 0.000(5) 11_557 9_767
C16 C15 C18 C16 180.000(8) 11_557 9_767
C14 C15 C18 C16 0.000(3) . 9_767
C16 C15 C18 C16 180.000(9) . 9_767
C17 C15 C18 C16 0.000(15) 9_767 9_767
C18 C15 C18 C16 180.000(4) 3_765 9_767
C16 C15 C18 C20 0.000(6) 9_767 3_765
C15 C15 C18 C20 0.00(11) 11_557 3_765
C15 C15 C18 C20 180.000(5) 3_765 3_765
C16 C15 C18 C20 0.000(9) 3_765 3_765
C15 C15 C18 C20 180.000(6) 9_767 3_765
C14 C15 C18 C20 0.000(2) 11_557 3_765
C16 C15 C18 C20 180.000(4) 11_557 3_765
C14 C15 C18 C20 0.000(6) . 3_765
C16 C15 C18 C20 180.000(3) . 3_765
C17 C15 C18 C20 0.000(10) 9_767 3_765
C18 C15 C18 C20 180.000(7) 3_765 3_765
C16 C15 C18 C15 180.000(9) 9_767 3_765
C15 C15 C18 C15 180.00(12) 11_557 3_765
C16 C15 C18 C15 180.000(11) 3_765 3_765
C15 C15 C18 C15 0.000(8) 9_767 3_765
C14 C15 C18 C15 180.000(5) 11_557 3_765
C16 C15 C18 C15 0.000(8) 11_557 3_765
C14 C15 C18 C15 180.000(8) . 3_765
C16 C15 C18 C15 0.000(7) . 3_765
C17 C15 C18 C15 180.0 9_767 3_765
C18 C15 C18 C15 0.000(9) 3_765 3_765
C17 C18 C19 C12 0.00(2) 9_767 9_767
C12 C18 C19 C12 0.00(2) 11_557 9_767
C19 C18 C19 C12 0.000(17) 3_765 9_767
C18 C18 C19 C12 180.000(15) 3_765 9_767
C13 C18 C19 C12 0.000(13) 11_557 9_767
C17 C18 C19 C12 180.000(10) 11_557 9_767
C15 C18 C19 C12 180.000(15) . 9_767
C16 C18 C19 C12 180.000(11) 9_767 9_767
C20 C18 C19 C12 0.000(13) 3_765 9_767
C15 C18 C19 C12 180.000(14) 3_765 9_767
C17 C18 C19 C18 180.00(2) 9_767 3_765
C12 C18 C19 C18 180.000(9) 11_557 3_765
C19 C18 C19 C18 180.000(4) 3_765 3_765
C12 C18 C19 C18 180.00(2) 9_767 3_765
C13 C18 C19 C18 180.000(14) 11_557 3_765
C17 C18 C19 C18 0.000(13) 11_557 3_765
C15 C18 C19 C18 0.000(8) . 3_765
C16 C18 C19 C18 0.000(7) 9_767 3_765
C20 C18 C19 C18 180.000(13) 3_765 3_765
C15 C18 C19 C18 0.000(9) 3_765 3_765
C17 C18 C19 C17 180.000(19) 9_767 11_557
C12 C18 C19 C17 180.000(9) 11_557 11_557
C19 C18 C19 C17 180.000(5) 3_765 11_557
C18 C18 C19 C17 0.000(11) 3_765 11_557
C12 C18 C19 C17 180.00(2) 9_767 11_557
C13 C18 C19 C17 180.000(12) 11_557 11_557
C15 C18 C19 C17 0.000(4) . 11_557
C16 C18 C19 C17 0.000(6) 9_767 11_557
C20 C18 C19 C17 180.000(8) 3_765 11_557
C15 C18 C19 C17 0.000(2) 3_765 11_557
C17 C18 C19 C12 0.000(15) 9_767 11_557
C19 C18 C19 C12 0.000(8) 3_765 11_557
C18 C18 C19 C12 180.000(8) 3_765 11_557
C12 C18 C19 C12 0.00(3) 9_767 11_557
C13 C18 C19 C12 0.000(6) 11_557 11_557
C17 C18 C19 C12 180.000(3) 11_557 11_557
C15 C18 C19 C12 180.000(5) . 11_557
C16 C18 C19 C12 180.000(9) 9_767 11_557
C20 C18 C19 C12 0.000(5) 3_765 11_557
C15 C18 C19 C12 180.000(5) 3_765 11_557
C17 C18 C19 C13 180.000(13) 9_767 9_767
C12 C18 C19 C13 180.000(9) 11_557 9_767
C19 C18 C19 C13 180.000(5) 3_765 9_767
C18 C18 C19 C13 0.000(6) 3_765 9_767
C12 C18 C19 C13 180.00(2) 9_767 9_767
C13 C18 C19 C13 180.000(6) 11_557 9_767
C17 C18 C19 C13 0.000(3) 11_557 9_767
C15 C18 C19 C13 0.000(4) . 9_767
C16 C18 C19 C13 0.000(6) 9_767 9_767
C20 C18 C19 C13 180.000(3) 3_765 9_767
C15 C18 C19 C13 0.000(1) 3_765 9_767
C17 C18 C19 C20 180.000(16) 9_767 .
C12 C18 C19 C20 180.000(10) 11_557 .
C19 C18 C19 C20 180.000(1) 3_765 .
C18 C18 C19 C20 0.000(7) 3_765 .
C12 C18 C19 C20 180.00(2) 9_767 .
C13 C18 C19 C20 180.000(7) 11_557 .
C17 C18 C19 C20 0.000(6) 11_557 .
C15 C18 C19 C20 0.000(4) . .
C16 C18 C19 C20 0.000(5) 9_767 .
C20 C18 C19 C20 180.000(4) 3_765 .
C15 C18 C19 C20 0.000(4) 3_765 .
C17 C18 C19 C19 0.000(15) 9_767 3_765
C12 C18 C19 C19 0.000(13) 11_557 3_765
C18 C18 C19 C19 180.000(10) 3_765 3_765
C12 C18 C19 C19 0.00(3) 9_767 3_765
C13 C18 C19 C19 0.000(5) 11_557 3_765
C17 C18 C19 C19 180.000(6) 11_557 3_765
C15 C18 C19 C19 180.000(4) . 3_765
C16 C18 C19 C19 180.000(12) 9_767 3_765
C20 C18 C19 C19 0.000(4) 3_765 3_765
C15 C18 C19 C19 180.000(4) 3_765 3_765
C17 C18 C19 C22 0.000(10) 9_767 .
C12 C18 C19 C22 0.000(4) 11_557 .
C19 C18 C19 C22 0.000(1) 3_765 .
C18 C18 C19 C22 180.000(5) 3_765 .
C12 C18 C19 C22 0.000(19) 9_767 .
C13 C18 C19 C22 0.000(6) 11_557 .
C17 C18 C19 C22 180.000(3) 11_557 .
C15 C18 C19 C22 180.000(3) . .
C16 C18 C19 C22 180.000(2) 9_767 .
C20 C18 C19 C22 0.000(4) 3_765 .
C15 C18 C19 C22 180.000(3) 3_765 .
C17 C18 C19 C11 0.000(19) 9_767 9_767
C12 C18 C19 C11 0.000(7) 11_557 9_767
C19 C18 C19 C11 0.000(4) 3_765 9_767
C18 C18 C19 C11 180.000(10) 3_765 9_767
C12 C18 C19 C11 0.00(2) 9_767 9_767
C13 C18 C19 C11 0.000(4) 11_557 9_767
C17 C18 C19 C11 180.000(6) 11_557 9_767
C15 C18 C19 C11 180.000(1) . 9_767
C16 C18 C19 C11 180.000(1) 9_767 9_767
C20 C18 C19 C11 0.000(6) 3_765 9_767
C15 C18 C19 C11 180.000(1) 3_765 9_767
C12 C18 C19 C17 0.000(11) 11_557 9_767
C19 C18 C19 C17 0.000(11) 3_765 9_767
C18 C18 C19 C17 180.000(8) 3_765 9_767
C12 C18 C19 C17 0.00(3) 9_767 9_767
C13 C18 C19 C17 0.000(8) 11_557 9_767
C17 C18 C19 C17 180.000(8) 11_557 9_767
C15 C18 C19 C17 180.000(13) . 9_767
C16 C18 C19 C17 180.000(14) 9_767 9_767
C20 C18 C19 C17 0.000(8) 3_765 9_767
C15 C18 C19 C17 180.000(12) 3_765 9_767
C17 C18 C19 C22 0.000(19) 9_767 3_765
C12 C18 C19 C22 0.000(11) 11_557 3_765
C19 C18 C19 C22 0.000(5) 3_765 3_765
C18 C18 C19 C22 180.000(11) 3_765 3_765
C12 C18 C19 C22 0.00(3) 9_767 3_765
C13 C18 C19 C22 0.000(9) 11_557 3_765
C17 C18 C19 C22 180.000(7) 11_557 3_765
C15 C18 C19 C22 180.000(3) . 3_765
C16 C18 C19 C22 180.000(3) 9_767 3_765
C20 C18 C19 C22 0.000(8) 3_765 3_765
C15 C18 C19 C22 180.000(3) 3_765 3_765
C12 C19 C20 C13 0.000(17) 9_767 9_767
C18 C19 C20 C13 0.000(11) 3_765 9_767
C17 C19 C20 C13 0.000(12) 11_557 9_767
C12 C19 C20 C13 0.000(13) 11_557 9_767
C18 C19 C20 C13 0.000(10) . 9_767
C19 C19 C20 C13 0.000(12) 3_765 9_767
C22 C19 C20 C13 180.000(10) . 9_767
C11 C19 C20 C13 180.000(14) 9_767 9_767
C17 C19 C20 C13 0.000(7) 9_767 9_767
C22 C19 C20 C13 180.000(15) 3_765 9_767
C12 C19 C20 C17 0.000(10) 9_767 11_557
C18 C19 C20 C17 0.000(4) 3_765 11_557
C12 C19 C20 C17 0.000(7) 11_557 11_557
C13 C19 C20 C17 0.000(15) 9_767 11_557
C18 C19 C20 C17 0.000(6) . 11_557
C19 C19 C20 C17 0.000(6) 3_765 11_557
C22 C19 C20 C17 180.000(3) . 11_557
C11 C19 C20 C17 180.000(7) 9_767 11_557
C17 C19 C20 C17 0.000(6) 9_767 11_557
C22 C19 C20 C17 180.000(9) 3_765 11_557
C12 C19 C20 C21 0.000(7) 9_767 .
C18 C19 C20 C21 0.000(2) 3_765 .
C17 C19 C20 C21 0.000(3) 11_557 .
C12 C19 C20 C21 0.000(5) 11_557 .
C13 C19 C20 C21 0.000(11) 9_767 .
C18 C19 C20 C21 0.000(2) . .
C19 C19 C20 C21 0.000(5) 3_765 .
C22 C19 C20 C21 180.000(2) . .
C11 C19 C20 C21 180.000(2) 9_767 .
C17 C19 C20 C21 0.000(5) 9_767 .
C22 C19 C20 C21 180.000(2) 3_765 .
C12 C19 C20 C14 0.000(10) 9_767 9_767
C18 C19 C20 C14 0.000(5) 3_765 9_767
C17 C19 C20 C14 0.000(5) 11_557 9_767
C12 C19 C20 C14 0.000(7) 11_557 9_767
C13 C19 C20 C14 0.000(14) 9_767 9_767
C18 C19 C20 C14 0.000(4) . 9_767
C19 C19 C20 C14 0.000(8) 3_765 9_767
C22 C19 C20 C14 180.000(3) . 9_767
C11 C19 C20 C14 180.000(5) 9_767 9_767
C17 C19 C20 C14 0.000(2) 9_767 9_767
C22 C19 C20 C14 180.000(7) 3_765 9_767
C12 C19 C20 C18 0.000(10) 9_767 3_765
C17 C19 C20 C18 0.000(5) 11_557 3_765
C12 C19 C20 C18 0.000(7) 11_557 3_765
C13 C19 C20 C18 0.000(16) 9_767 3_765
C18 C19 C20 C18 0.000(4) . 3_765
C19 C19 C20 C18 0.000(6) 3_765 3_765
C22 C19 C20 C18 180.000(4) . 3_765
C11 C19 C20 C18 180.000(12) 9_767 3_765
C17 C19 C20 C18 0.000(2) 9_767 3_765
C22 C19 C20 C18 180.000(9) 3_765 3_765
C18 C19 C20 C12 0.000(2) 3_765 9_767
C17 C19 C20 C12 0.000(3) 11_557 9_767
C12 C19 C20 C12 0.000(5) 11_557 9_767
C13 C19 C20 C12 0.00(3) 9_767 9_767
C18 C19 C20 C12 0.000(2) . 9_767
C19 C19 C20 C12 0.000(4) 3_765 9_767
C22 C19 C20 C12 180.000(3) . 9_767
C11 C19 C20 C12 180.000(3) 9_767 9_767
C17 C19 C20 C12 0.000(4) 9_767 9_767
C22 C19 C20 C12 180.000(4) 3_765 9_767
C12 C19 C20 C16 0.000(9) 9_767 11_557
C18 C19 C20 C16 0.000(3) 3_765 11_557
C17 C19 C20 C16 0.000(3) 11_557 11_557
C12 C19 C20 C16 0.000(7) 11_557 11_557
C13 C19 C20 C16 0.000(13) 9_767 11_557
C18 C19 C20 C16 0.000(3) . 11_557
C19 C19 C20 C16 0.000(6) 3_765 11_557
C22 C19 C20 C16 180.000(1) . 11_557
C11 C19 C20 C16 180.000(4) 9_767 11_557
C17 C19 C20 C16 0.000(4) 9_767 11_557
C22 C19 C20 C16 180.000(6) 3_765 11_557
C13 C20 C21 C14 0.000(9) 9_767 9_767
C17 C20 C21 C14 0.000(8) 11_557 9_767
C19 C20 C21 C14 0.000(8) . 9_767
C18 C20 C21 C14 0.000(7) 3_765 9_767
C12 C20 C21 C14 0.000(5) 9_767 9_767
C16 C20 C21 C14 0.000(5) 11_557 9_767
C13 C20 C21 C21 0.00(14) 9_767 11_557
C17 C20 C21 C21 0.00(13) 11_557 11_557
C19 C20 C21 C21 0.00(14) . 11_557
C14 C20 C21 C21 0.00(9) 9_767 11_557
C18 C20 C21 C21 0.00(14) 3_765 11_557
C12 C20 C21 C21 0.00(14) 9_767 11_557
C16 C20 C21 C21 0.00(14) 11_557 11_557
C13 C20 C21 C14 0.000(5) 9_767 3_765
C17 C20 C21 C14 0.000(4) 11_557 3_765
C19 C20 C21 C14 0.000(3) . 3_765
C14 C20 C21 C14 0.000(5) 9_767 3_765
C18 C20 C21 C14 0.000(3) 3_765 3_765
C12 C20 C21 C14 0.000(5) 9_767 3_765
C16 C20 C21 C14 0.000(4) 11_557 3_765
C13 C20 C21 C16 0.000(5) 9_767 11_557
C17 C20 C21 C16 0.000(2) 11_557 11_557
C19 C20 C21 C16 0.000(2) . 11_557
C14 C20 C21 C16 0.000(6) 9_767 11_557
C18 C20 C21 C16 0.000(1) 3_765 11_557
C12 C20 C21 C16 0.000(2) 9_767 11_557
C13 C20 C21 C16 0.000(3) 9_767 .
C17 C20 C21 C16 0.000(3) 11_557 .
C19 C20 C21 C16 0.000(2) . .
C14 C20 C21 C16 0.000(8) 9_767 .
C18 C20 C21 C16 0.000(2) 3_765 .
C12 C20 C21 C16 0.000(1) 9_767 .
C16 C20 C21 C16 0.000(4) 11_557 .
C17 C20 C21 C13 0.000(6) 11_557 9_767
C19 C20 C21 C13 0.000(5) . 9_767
C14 C20 C21 C13 0.000(15) 9_767 9_767
C18 C20 C21 C13 0.000(5) 3_765 9_767
C12 C20 C21 C13 0.000(3) 9_767 9_767
C16 C20 C21 C13 0.000(12) 11_557 9_767
C13 C20 C21 C17 0.000(3) 9_767 11_557
C19 C20 C21 C17 0.000(2) . 11_557
C14 C20 C21 C17 0.000(9) 9_767 11_557
C18 C20 C21 C17 0.000(2) 3_765 11_557
C12 C20 C21 C17 0.000(3) 9_767 11_557
C16 C20 C21 C17 0.000(5) 11_557 11_557
C13 C20 C21 C15 0.000(4) 9_767 3_765
C17 C20 C21 C15 0.000(5) 11_557 3_765
C19 C20 C21 C15 0.000(4) . 3_765
C14 C20 C21 C15 0.000(9) 9_767 3_765
C18 C20 C21 C15 0.000(4) 3_765 3_765
C12 C20 C21 C15 0.000(2) 9_767 3_765
C16 C20 C21 C15 0.000(4) 11_557 3_765
C13 C20 C21 C15 0.000(6) 9_767 9_767
C17 C20 C21 C15 0.000(4) 11_557 9_767
C19 C20 C21 C15 0.000(4) . 9_767
C14 C20 C21 C15 0.000(7) 9_767 9_767
C18 C20 C21 C15 0.000(2) 3_765 9_767
C12 C20 C21 C15 0.000(2) 9_767 9_767
C16 C20 C21 C15 0.000(2) 11_557 9_767
C13 C20 C21 C18 0.000(3) 9_767 3_765
C17 C20 C21 C18 0.000(6) 11_557 3_765
C19 C20 C21 C18 0.000(5) . 3_765
C14 C20 C21 C18 0.000(12) 9_767 3_765
C12 C20 C21 C18 0.000(2) 9_767 3_765
C16 C20 C21 C18 0.000(7) 11_557 3_765
C15 C16 C21 C14 0.00(2) 9_767 9_767
C16 C16 C21 C14 0.00(2) 11_557 9_767
C14 C16 C21 C14 180.000(18) 3_765 9_767
C15 C16 C21 C14 0.000(14) 3_765 9_767
C21 C16 C21 C14 180.000(12) 11_557 9_767
C15 C16 C21 C14 0.000(15) 11_557 9_767
C17 C16 C21 C14 180.000(15) . 9_767
C15 C16 C21 C14 0.000(15) . 9_767
C18 C16 C21 C14 180.000(19) 9_767 9_767
C13 C16 C21 C14 180.000(13) 3_765 9_767
C15 C16 C21 C21 180.00(2) 9_767 11_557
C16 C16 C21 C21 180.000(7) 11_557 11_557
C14 C16 C21 C21 0.000(6) 3_765 11_557
C15 C16 C21 C21 180.000(4) 3_765 11_557
C14 C16 C21 C21 180.00(2) 9_767 11_557
C15 C16 C21 C21 180.000(11) 11_557 11_557
C17 C16 C21 C21 0.000(4) . 11_557
C15 C16 C21 C21 180.000(2) . 11_557
C18 C16 C21 C21 0.000(8) 9_767 11_557
C13 C16 C21 C21 0.0 3_765 11_557
C15 C16 C21 C14 180.00(2) 9_767 3_765
C16 C16 C21 C14 180.000(9) 11_557 3_765
C15 C16 C21 C14 180.000(11) 3_765 3_765
C14 C16 C21 C14 180.00(2) 9_767 3_765
C21 C16 C21 C14 0.000(13) 11_557 3_765
C15 C16 C21 C14 180.000(15) 11_557 3_765
C17 C16 C21 C14 0.000(7) . 3_765
C15 C16 C21 C14 180.000(9) . 3_765
C18 C16 C21 C14 0.000(7) 9_767 3_765
C13 C16 C21 C14 0.000(8) 3_765 3_765
C15 C16 C21 C16 0.000(14) 9_767 11_557
C14 C16 C21 C16 180.000(9) 3_765 11_557
C15 C16 C21 C16 0.000(8) 3_765 11_557
C14 C16 C21 C16 0.00(3) 9_767 11_557
C21 C16 C21 C16 180.000(3) 11_557 11_557
C15 C16 C21 C16 0.000(7) 11_557 11_557
C17 C16 C21 C16 180.000(6) . 11_557
C15 C16 C21 C16 0.000(7) . 11_557
C18 C16 C21 C16 180.000(12) 9_767 11_557
C13 C16 C21 C16 180.000(9) 3_765 11_557
C15 C16 C21 C20 0.000(19) 9_767 .
C16 C16 C21 C20 0.000(6) 11_557 .
C14 C16 C21 C20 180.000(7) 3_765 .
C15 C16 C21 C20 0.000(2) 3_765 .
C14 C16 C21 C20 0.000(19) 9_767 .
C21 C16 C21 C20 180.000(3) 11_557 .
C15 C16 C21 C20 0.000(7) 11_557 .
C17 C16 C21 C20 180.0 . .
C15 C16 C21 C20 0.000(4) . .
C18 C16 C21 C20 180.000(2) 9_767 .
C13 C16 C21 C20 180.000(3) 3_765 .
C15 C16 C21 C13 0.000(14) 9_767 9_767
C16 C16 C21 C13 0.000(6) 11_557 9_767
C14 C16 C21 C13 180.000(6) 3_765 9_767
C15 C16 C21 C13 0.000(4) 3_765 9_767
C14 C16 C21 C13 0.00(2) 9_767 9_767
C21 C16 C21 C13 180.000(2) 11_557 9_767
C15 C16 C21 C13 0.000(10) 11_557 9_767
C17 C16 C21 C13 180.000(2) . 9_767
C15 C16 C21 C13 0.000(4) . 9_767
C18 C16 C21 C13 180.000(3) 9_767 9_767
C13 C16 C21 C13 180.000(2) 3_765 9_767
C15 C16 C21 C17 0.000(15) 9_767 11_557
C16 C16 C21 C17 0.000(5) 11_557 11_557
C14 C16 C21 C17 180.000(4) 3_765 11_557
C15 C16 C21 C17 0.000(2) 3_765 11_557
C14 C16 C21 C17 0.00(2) 9_767 11_557
C21 C16 C21 C17 180.000(3) 11_557 11_557
C15 C16 C21 C17 0.000(6) 11_557 11_557
C17 C16 C21 C17 180.000(2) . 11_557
C15 C16 C21 C17 0.000(3) . 11_557
C18 C16 C21 C17 180.000(6) 9_767 11_557
C13 C16 C21 C17 180.0 3_765 11_557
C15 C16 C21 C15 0.000(14) 9_767 3_765
C16 C16 C21 C15 0.000(7) 11_557 3_765
C14 C16 C21 C15 180.000(7) 3_765 3_765
C14 C16 C21 C15 0.00(3) 9_767 3_765
C21 C16 C21 C15 180.000(4) 11_557 3_765
C15 C16 C21 C15 0.000(6) 11_557 3_765
C17 C16 C21 C15 180.000(4) . 3_765
C15 C16 C21 C15 0.000(4) . 3_765
C18 C16 C21 C15 180.000(11) 9_767 3_765
C13 C16 C21 C15 180.000(5) 3_765 3_765
C16 C16 C21 C15 0.000(10) 11_557 9_767
C14 C16 C21 C15 180.000(7) 3_765 9_767
C15 C16 C21 C15 0.000(10) 3_765 9_767
C14 C16 C21 C15 0.00(2) 9_767 9_767
C21 C16 C21 C15 180.000(10) 11_557 9_767
C15 C16 C21 C15 0.000(7) 11_557 9_767
C17 C16 C21 C15 180.000(14) . 9_767
C15 C16 C21 C15 0.000(9) . 9_767
C18 C16 C21 C15 180.000(13) 9_767 9_767
C13 C16 C21 C15 180.000(11) 3_765 9_767
C15 C16 C21 C18 0.000(18) 9_767 3_765
C16 C16 C21 C18 0.000(7) 11_557 3_765
C14 C16 C21 C18 180.000(8) 3_765 3_765
C15 C16 C21 C18 0.000(5) 3_765 3_765
C14 C16 C21 C18 0.00(2) 9_767 3_765
C21 C16 C21 C18 180.000(2) 11_557 3_765
C15 C16 C21 C18 0.000(7) 11_557 3_765
C17 C16 C21 C18 180.000(2) . 3_765
C15 C16 C21 C18 0.000(4) . 3_765
C18 C16 C21 C18 180.000(8) 9_767 3_765
C13 C16 C21 C18 180.000(2) 3_765 3_765
C12 C19 C22 C11 0.000(6) 9_767 9_767
C18 C19 C22 C11 0.000(10) 3_765 9_767
C17 C19 C22 C11 180.00(5) 11_557 9_767
C12 C19 C22 C11 0.000(4) 11_557 9_767
C13 C19 C22 C11 180.000(7) 9_767 9_767
C18 C19 C22 C11 0.000(4) . 9_767
C20 C19 C22 C11 180.000(4) . 9_767
C19 C19 C22 C11 0.000(3) 3_765 9_767
C17 C19 C22 C11 0.000(3) 9_767 9_767
C22 C19 C22 C11 0.000(3) 3_765 9_767
C12 C19 C22 O8 180.000(16) 9_767 3_765
C18 C19 C22 O8 180.000(15) 3_765 3_765
C17 C19 C22 O8 0.00(6) 11_557 3_765
C12 C19 C22 O8 180.000(13) 11_557 3_765
C13 C19 C22 O8 0.000(10) 9_767 3_765
C18 C19 C22 O8 180.000(13) . 3_765
C20 C19 C22 O8 0.000(10) . 3_765
C19 C19 C22 O8 180.000(11) 3_765 3_765
C11 C19 C22 O8 180.000(16) 9_767 3_765
C17 C19 C22 O8 180.000(13) 9_767 3_765
C22 C19 C22 O8 180.000(7) 3_765 3_765
C12 C19 C22 O6 180.000(9) 9_767 11_557
C18 C19 C22 O6 180.000(9) 3_765 11_557
C17 C19 C22 O6 0.00(6) 11_557 11_557
C12 C19 C22 O6 180.000(3) 11_557 11_557
C13 C19 C22 O6 0.000(6) 9_767 11_557
C18 C19 C22 O6 180.000(6) . 11_557
C20 C19 C22 O6 0.000(5) . 11_557
C19 C19 C22 O6 180.000(5) 3_765 11_557
C11 C19 C22 O6 180.000(7) 9_767 11_557
C17 C19 C22 O6 180.000(3) 9_767 11_557
C22 C19 C22 O6 180.000(8) 3_765 11_557
C12 C19 C22 O5 180.000(8) 9_767 9_767
C18 C19 C22 O5 180.000(8) 3_765 9_767
C17 C19 C22 O5 0.00(5) 11_557 9_767
C12 C19 C22 O5 180.000(4) 11_557 9_767
C13 C19 C22 O5 0.000(6) 9_767 9_767
C18 C19 C22 O5 180.000(4) . 9_767
C20 C19 C22 O5 0.000(5) . 9_767
C19 C19 C22 O5 180.000(5) 3_765 9_767
C11 C19 C22 O5 180.000(7) 9_767 9_767
C17 C19 C22 O5 180.000(4) 9_767 9_767
C22 C19 C22 O5 180.000(9) 3_765 9_767
C12 C19 C22 C22 0.000(12) 9_767 3_765
C18 C19 C22 C22 0.000(13) 3_765 3_765
C17 C19 C22 C22 180.00(5) 11_557 3_765
C12 C19 C22 C22 0.000(8) 11_557 3_765
C13 C19 C22 C22 180.000(5) 9_767 3_765
C18 C19 C22 C22 0.000(8) . 3_765
C20 C19 C22 C22 180.000(5) . 3_765
C19 C19 C22 C22 0.000(7) 3_765 3_765
C11 C19 C22 C22 0.000(8) 9_767 3_765
C17 C19 C22 C22 0.000(5) 9_767 3_765
C12 C19 C22 O8 0.000(8) 9_767 .
C18 C19 C22 O8 0.000(8) 3_765 .
C17 C19 C22 O8 180.00(5) 11_557 .
C12 C19 C22 O8 0.000(6) 11_557 .
C13 C19 C22 O8 180.000(5) 9_767 .
C18 C19 C22 O8 0.000(6) . .
C20 C19 C22 O8 180.000(4) . .
C19 C19 C22 O8 0.000(4) 3_765 .
C11 C19 C22 O8 0.000(4) 9_767 .
C17 C19 C22 O8 0.000(5) 9_767 .
C22 C19 C22 O8 0.000(6) 3_765 .
C12 C19 C22 O7 180.000(5) 9_767 .
C18 C19 C22 O7 180.000(8) 3_765 .
C17 C19 C22 O7 0.00(5) 11_557 .
C12 C19 C22 O7 180.000(5) 11_557 .
C13 C19 C22 O7 0.000(10) 9_767 .
C18 C19 C22 O7 180.000(4) . .
C20 C19 C22 O7 0.000(9) . .
C19 C19 C22 O7 180.000(6) 3_765 .
C11 C19 C22 O7 180.000(4) 9_767 .
C17 C19 C22 O7 180.000(5) 9_767 .
C22 C19 C22 O7 180.000(4) 3_765 .
C18 C19 C22 C12 0.000(10) 3_765 9_767
C17 C19 C22 C12 180.00(6) 11_557 9_767
C12 C19 C22 C12 0.000(5) 11_557 9_767
C13 C19 C22 C12 180.000(15) 9_767 9_767
C18 C19 C22 C12 0.000(9) . 9_767
C20 C19 C22 C12 180.000(12) . 9_767
C19 C19 C22 C12 0.000(5) 3_765 9_767
C11 C19 C22 C12 0.000(12) 9_767 9_767
C17 C19 C22 C12 0.000(6) 9_767 9_767
C22 C19 C22 C12 0.000(11) 3_765 9_767
C12 C19 C22 O5 0.000(7) 9_767 11_557
C18 C19 C22 O5 0.000(11) 3_765 11_557
C17 C19 C22 O5 180.00(5) 11_557 11_557
C12 C19 C22 O5 0.000(5) 11_557 11_557
C13 C19 C22 O5 180.000(4) 9_767 11_557
C18 C19 C22 O5 0.000(6) . 11_557
C20 C19 C22 O5 180.000(3) . 11_557
C19 C19 C22 O5 0.000(4) 3_765 11_557
C11 C19 C22 O5 0.000(4) 9_767 11_557
C17 C19 C22 O5 0.000(3) 9_767 11_557
C22 C19 C22 O5 0.000(3) 3_765 11_557
C12 C19 C22 C12 0.000(5) 9_767 11_557
C18 C19 C22 C12 0.000(8) 3_765 11_557
C17 C19 C22 C12 180.00(6) 11_557 11_557
C13 C19 C22 C12 180.000(10) 9_767 11_557
C18 C19 C22 C12 0.000(5) . 11_557
C20 C19 C22 C12 180.000(4) . 11_557
C19 C19 C22 C12 0.000(3) 3_765 11_557
C11 C19 C22 C12 0.000(8) 9_767 11_557
C17 C19 C22 C12 0.000(4) 9_767 11_557
C22 C19 C22 C12 0.000(7) 3_765 11_557
C12 C19 C22 O6 0.000(7) 9_767 9_767
C18 C19 C22 O6 0.000(10) 3_765 9_767
C17 C19 C22 O6 180.00(5) 11_557 9_767
C12 C19 C22 O6 0.000(4) 11_557 9_767
C13 C19 C22 O6 180.000(3) 9_767 9_767
C18 C19 C22 O6 0.000(4) . 9_767
C20 C19 C22 O6 180.000(3) . 9_767
C19 C19 C22 O6 0.000(3) 3_765 9_767
C11 C19 C22 O6 0.000(5) 9_767 9_767
C17 C19 C22 O6 0.000(3) 9_767 9_767
C22 C19 C22 O6 0.000(4) 3_765 9_767
C22 C11 O5 O6 0.000(8) 9_767 3_765
C22 C11 O5 O6 180.000(7) 11_557 3_765
O8 C11 O5 O6 0.00(5) 11_557 3_765
O8 C11 O5 O6 180.000(7) 9_767 3_765
O6 C11 O5 O6 180.000(7) . 3_765
O5 C11 O5 O6 180.000(7) 3_765 3_765
C12 C11 O5 O6 0.000(7) . 3_765
C12 C11 O5 O6 0.000(7) 3_765 3_765
C19 C11 O5 O6 0.000(7) 11_557 3_765
C19 C11 O5 O6 0.000(7) 9_767 3_765
C22 C11 O5 O8 0.00(11) 9_767 11_557
C22 C11 O5 O8 180.00(11) 11_557 11_557
O8 C11 O5 O8 180.00(11) 9_767 11_557
O6 C11 O5 O8 180.00(11) . 11_557
O6 C11 O5 O8 0.00(11) 3_765 11_557
O5 C11 O5 O8 180.00(11) 3_765 11_557
C12 C11 O5 O8 0.00(11) . 11_557
C12 C11 O5 O8 0.00(11) 3_765 11_557
C19 C11 O5 O8 0.00(11) 11_557 11_557
C19 C11 O5 O8 0.00(11) 9_767 11_557
C22 C11 O5 O7 0.00(2) 9_767 9_767
C22 C11 O5 O7 180.00(2) 11_557 9_767
O8 C11 O5 O7 0.00(5) 11_557 9_767
O8 C11 O5 O7 180.00(2) 9_767 9_767
O6 C11 O5 O7 180.00(2) . 9_767
O6 C11 O5 O7 0.00(2) 3_765 9_767
O5 C11 O5 O7 180.00(2) 3_765 9_767
C12 C11 O5 O7 0.00(2) . 9_767
C12 C11 O5 O7 0.00(2) 3_765 9_767
C19 C11 O5 O7 0.00(2) 11_557 9_767
C19 C11 O5 O7 0.00(2) 9_767 9_767
C22 C11 O5 C22 180.000(17) 11_557 9_767
O8 C11 O5 C22 0.00(6) 11_557 9_767
O8 C11 O5 C22 180.000(15) 9_767 9_767
O6 C11 O5 C22 180.000(15) . 9_767
O6 C11 O5 C22 0.000(19) 3_765 9_767
O5 C11 O5 C22 180.000(15) 3_765 9_767
C12 C11 O5 C22 0.000(15) . 9_767
C12 C11 O5 C22 0.000(14) 3_765 9_767
C19 C11 O5 C22 0.000(15) 11_557 9_767
C19 C11 O5 C22 0.000(15) 9_767 9_767
C22 C11 O5 C22 180.000(10) 9_767 11_557
O8 C11 O5 C22 180.00(4) 11_557 11_557
O8 C11 O5 C22 0.000(10) 9_767 11_557
O6 C11 O5 C22 0.000(9) . 11_557
O6 C11 O5 C22 180.000(10) 3_765 11_557
O5 C11 O5 C22 0.000(9) 3_765 11_557
C12 C11 O5 C22 180.000(10) . 11_557
C12 C11 O5 C22 180.000(8) 3_765 11_557
C19 C11 O5 C22 180.000(8) 11_557 11_557
C19 C11 O5 C22 180.000(10) 9_767 11_557
C22 C11 O5 O8 180.000(8) 9_767 9_767
C22 C11 O5 O8 0.000(7) 11_557 9_767
O8 C11 O5 O8 180.00(5) 11_557 9_767
O6 C11 O5 O8 0.000(3) . 9_767
O6 C11 O5 O8 180.000(7) 3_765 9_767
O5 C11 O5 O8 0.000(3) 3_765 9_767
C12 C11 O5 O8 180.000(3) . 9_767
C12 C11 O5 O8 180.000(4) 3_765 9_767
C19 C11 O5 O8 180.000(5) 11_557 9_767
C19 C11 O5 O8 180.000(3) 9_767 9_767
C22 C11 O5 Zr1 180.000(8) 9_767 .
C22 C11 O5 Zr1 0.000(6) 11_557 .
O8 C11 O5 Zr1 180.00(5) 11_557 .
O8 C11 O5 Zr1 0.000(3) 9_767 .
O6 C11 O5 Zr1 0.000(4) . .
O6 C11 O5 Zr1 180.000(7) 3_765 .
O5 C11 O5 Zr1 0.000(1) 3_765 .
C12 C11 O5 Zr1 180.000(2) . .
C12 C11 O5 Zr1 180.000(2) 3_765 .
C19 C11 O5 Zr1 180.000(2) 11_557 .
C19 C11 O5 Zr1 180.000(2) 9_767 .
O7 Zr1 O5 O6 0.000(11) 9_767 3_765
O1 Zr1 O5 O6 -115.8(3) 13_755 3_765
O1 Zr1 O5 O6 115.8(3) . 3_765
O2 Zr1 O5 O6 -143.72(10) 3_765 3_765
O2 Zr1 O5 O6 143.72(10) . 3_765
O1S Zr1 O5 O6 0.000(10) . 3_765
O4 Zr1 O5 O6 65.52(8) . 3_765
O4 Zr1 O5 O6 -65.52(8) 13_755 3_765
O8 Zr1 O5 O6 180.000(19) 11_557 3_765
Zr1 Zr1 O5 O6 180.000(10) 3_765 3_765
O7 Zr1 O5 O8 180.00(2) 9_767 11_557
O1 Zr1 O5 O8 64.2(3) 13_755 11_557
O1 Zr1 O5 O8 -64.2(3) . 11_557
O2 Zr1 O5 O8 36.28(10) 3_765 11_557
O2 Zr1 O5 O8 -36.28(10) . 11_557
O1S Zr1 O5 O8 180.00(2) . 11_557
O4 Zr1 O5 O8 -114.48(9) . 11_557
O4 Zr1 O5 O8 114.48(8) 13_755 11_557
O6 Zr1 O5 O8 180.00(3) 3_765 11_557
Zr1 Zr1 O5 O8 0.00(2) 3_765 11_557
O1 Zr1 O5 O7 -115.8(3) 13_755 9_767
O1 Zr1 O5 O7 115.8(3) . 9_767
O2 Zr1 O5 O7 -143.72(10) 3_765 9_767
O2 Zr1 O5 O7 143.72(10) . 9_767
O1S Zr1 O5 O7 0.000(11) . 9_767
O4 Zr1 O5 O7 65.52(8) . 9_767
O4 Zr1 O5 O7 -65.52(8) 13_755 9_767
O6 Zr1 O5 O7 0.000(14) 3_765 9_767
O8 Zr1 O5 O7 180.000(16) 11_557 9_767
Zr1 Zr1 O5 O7 180.000(11) 3_765 9_767
O7 Zr1 O5 C22 180.000(13) 9_767 9_767
O1 Zr1 O5 C22 64.2(3) 13_755 9_767
O1 Zr1 O5 C22 -64.2(3) . 9_767
O2 Zr1 O5 C22 36.28(10) 3_765 9_767
O2 Zr1 O5 C22 -36.28(10) . 9_767
O1S Zr1 O5 C22 180.000(12) . 9_767
O4 Zr1 O5 C22 -114.48(8) . 9_767
O4 Zr1 O5 C22 114.48(8) 13_755 9_767
O6 Zr1 O5 C22 180.000(16) 3_765 9_767
O8 Zr1 O5 C22 0.000(15) 11_557 9_767
Zr1 Zr1 O5 C22 0.000(12) 3_765 9_767
O7 Zr1 O5 C11 180.000(5) 9_767 .
O1 Zr1 O5 C11 64.2(3) 13_755 .
O1 Zr1 O5 C11 -64.2(3) . .
O2 Zr1 O5 C11 36.28(10) 3_765 .
O2 Zr1 O5 C11 -36.28(10) . .
O1S Zr1 O5 C11 180.000(2) . .
O4 Zr1 O5 C11 -114.48(8) . .
O4 Zr1 O5 C11 114.48(8) 13_755 .
O6 Zr1 O5 C11 180.000(9) 3_765 .
O8 Zr1 O5 C11 0.000(10) 11_557 .
Zr1 Zr1 O5 C11 0.000(2) 3_765 .
O7 Zr1 O5 C22 180.000(6) 9_767 11_557
O1 Zr1 O5 C22 64.2(3) 13_755 11_557
O1 Zr1 O5 C22 -64.2(3) . 11_557
O2 Zr1 O5 C22 36.28(10) 3_765 11_557
O2 Zr1 O5 C22 -36.28(10) . 11_557
O1S Zr1 O5 C22 180.000(2) . 11_557
O4 Zr1 O5 C22 -114.48(8) . 11_557
O4 Zr1 O5 C22 114.48(8) 13_755 11_557
O6 Zr1 O5 C22 180.000(9) 3_765 11_557
O8 Zr1 O5 C22 0.000(11) 11_557 11_557
Zr1 Zr1 O5 C22 0.000(3) 3_765 11_557
O7 Zr1 O5 O8 180.000(6) 9_767 9_767
O1 Zr1 O5 O8 64.2(3) 13_755 9_767
O1 Zr1 O5 O8 -64.2(3) . 9_767
O2 Zr1 O5 O8 36.28(10) 3_765 9_767
O2 Zr1 O5 O8 -36.28(10) . 9_767
O1S Zr1 O5 O8 180.000(2) . 9_767
O4 Zr1 O5 O8 -114.48(8) . 9_767
O4 Zr1 O5 O8 114.48(8) 13_755 9_767
O6 Zr1 O5 O8 180.000(9) 3_765 9_767
O8 Zr1 O5 O8 0.000(11) 11_557 9_767
Zr1 Zr1 O5 O8 0.000(2) 3_765 9_767
C22 C11 O6 O5 0.000(9) 9_767 3_765
C22 C11 O6 O5 180.000(19) 11_557 3_765
O8 C11 O6 O5 0.000(6) 11_557 3_765
O8 C11 O6 O5 0.000(15) 9_767 3_765
O6 C11 O6 O5 0.000(6) 3_765 3_765
O5 C11 O6 O5 0.000(5) . 3_765
C12 C11 O6 O5 180.000(5) . 3_765
C12 C11 O6 O5 180.000(5) 3_765 3_765
C19 C11 O6 O5 180.000(5) 11_557 3_765
C19 C11 O6 O5 180.000(5) 9_767 3_765
C22 C11 O6 O8 0.00(2) 9_767 9_767
C22 C11 O6 O8 180.00(3) 11_557 9_767
O8 C11 O6 O8 0.00(2) 11_557 9_767
O6 C11 O6 O8 0.00(2) 3_765 9_767
O5 C11 O6 O8 0.00(2) . 9_767
O5 C11 O6 O8 0.00(3) 3_765 9_767
C12 C11 O6 O8 180.00(2) . 9_767
C12 C11 O6 O8 180.00(2) 3_765 9_767
C19 C11 O6 O8 180.00(2) 11_557 9_767
C19 C11 O6 O8 180.00(2) 9_767 9_767
C22 C11 O6 O7 0.000(18) 9_767 11_557
C22 C11 O6 O7 180.00(3) 11_557 11_557
O8 C11 O6 O7 0.000(17) 11_557 11_557
O8 C11 O6 O7 0.00(2) 9_767 11_557
O6 C11 O6 O7 0.000(17) 3_765 11_557
O5 C11 O6 O7 0.000(17) . 11_557
O5 C11 O6 O7 0.000(19) 3_765 11_557
C12 C11 O6 O7 180.000(16) . 11_557
C12 C11 O6 O7 180.000(16) 3_765 11_557
C19 C11 O6 O7 180.000(16) 11_557 11_557
C19 C11 O6 O7 180.000(17) 9_767 11_557
C22 C11 O6 C22 180.00(4) 9_767 11_557
O8 C11 O6 C22 180.00(4) 11_557 11_557
O8 C11 O6 C22 180.00(3) 9_767 11_557
O6 C11 O6 C22 180.00(4) 3_765 11_557
O5 C11 O6 C22 180.00(4) . 11_557
O5 C11 O6 C22 180.00(3) 3_765 11_557
C12 C11 O6 C22 0.00(4) . 11_557
C12 C11 O6 C22 0.00(4) 3_765 11_557
C19 C11 O6 C22 0.00(4) 11_557 11_557
C19 C11 O6 C22 0.00(3) 9_767 11_557
C22 C11 O6 C22 180.000(18) 11_557 9_767
O8 C11 O6 C22 0.000(18) 11_557 9_767
O8 C11 O6 C22 0.00(2) 9_767 9_767
O6 C11 O6 C22 0.000(18) 3_765 9_767
O5 C11 O6 C22 0.000(18) . 9_767
O5 C11 O6 C22 0.000(19) 3_765 9_767
C12 C11 O6 C22 180.00(2) . 9_767
C12 C11 O6 C22 180.00(2) 3_765 9_767
C19 C11 O6 C22 180.000(19) 11_557 9_767
C19 C11 O6 C22 180.00(2) 9_767 9_767
C22 C11 O6 Zr1 0.000(9) 9_767 3_765
C22 C11 O6 Zr1 180.000(19) 11_557 3_765
O8 C11 O6 Zr1 0.000(3) 11_557 3_765
O8 C11 O6 Zr1 0.000(12) 9_767 3_765
O6 C11 O6 Zr1 0.000(4) 3_765 3_765
O5 C11 O6 Zr1 0.000(3) . 3_765
O5 C11 O6 Zr1 0.000(8) 3_765 3_765
C12 C11 O6 Zr1 180.000(1) . 3_765
C12 C11 O6 Zr1 180.000(2) 3_765 3_765
C19 C11 O6 Zr1 180.000(2) 11_557 3_765
C19 C11 O6 Zr1 180.000(2) 9_767 3_765
C11 C22 O7 O5 0.00(2) 9_767 9_767
O8 C22 O7 O5 0.00(4) 3_765 9_767
O6 C22 O7 O5 180.00(5) 11_557 9_767
C22 C22 O7 O5 0.000(16) 3_765 9_767
O8 C22 O7 O5 0.000(13) . 9_767
C19 C22 O7 O5 180.000(19) . 9_767
C12 C22 O7 O5 180.00(2) 9_767 9_767
O5 C22 O7 O5 0.000(13) 11_557 9_767
C12 C22 O7 O5 180.00(3) 11_557 9_767
O6 C22 O7 O5 0.000(13) 9_767 9_767
C11 C22 O7 O6 180.00(6) 9_767 11_557
O8 C22 O7 O6 180.00(4) 3_765 11_557
O5 C22 O7 O6 180.00(4) 9_767 11_557
C22 C22 O7 O6 180.00(5) 3_765 11_557
O8 C22 O7 O6 180.00(4) . 11_557
C19 C22 O7 O6 0.00(3) . 11_557
C12 C22 O7 O6 0.00(3) 9_767 11_557
O5 C22 O7 O6 180.00(4) 11_557 11_557
C12 C22 O7 O6 0.00(3) 11_557 11_557
O6 C22 O7 O6 180.00(4) 9_767 11_557
C11 C22 O7 O8 0.00(6) 9_767 3_765
O6 C22 O7 O8 180.00(6) 11_557 3_765
O5 C22 O7 O8 0.00(8) 9_767 3_765
C22 C22 O7 O8 0.00(5) 3_765 3_765
O8 C22 O7 O8 0.00(5) . 3_765
C19 C22 O7 O8 180.00(5) . 3_765
C12 C22 O7 O8 180.00(6) 9_767 3_765
O5 C22 O7 O8 0.00(5) 11_557 3_765
C12 C22 O7 O8 180.00(6) 11_557 3_765
O6 C22 O7 O8 0.00(5) 9_767 3_765
O8 C22 O7 C11 0.00(3) 3_765 9_767
O6 C22 O7 C11 180.00(4) 11_557 9_767
O5 C22 O7 C11 0.00(7) 9_767 9_767
C22 C22 O7 C11 0.00(2) 3_765 9_767
O8 C22 O7 C11 0.00(3) . 9_767
C19 C22 O7 C11 180.00(3) . 9_767
C12 C22 O7 C11 180.00(3) 9_767 9_767
O5 C22 O7 C11 0.00(3) 11_557 9_767
C12 C22 O7 C11 180.00(4) 11_557 9_767
O6 C22 O7 C11 0.00(3) 9_767 9_767
C11 C22 O7 Zr1 0.000(15) 9_767 9_767
O8 C22 O7 Zr1 0.00(3) 3_765 9_767
O6 C22 O7 Zr1 180.00(6) 11_557 9_767
O5 C22 O7 Zr1 0.00(3) 9_767 9_767
C22 C22 O7 Zr1 0.000(7) 3_765 9_767
O8 C22 O7 Zr1 0.000(5) . 9_767
C19 C22 O7 Zr1 180.000(2) . 9_767
C12 C22 O7 Zr1 180.000(3) 9_767 9_767
O5 C22 O7 Zr1 0.000(5) 11_557 9_767
C12 C22 O7 Zr1 180.000(10) 11_557 9_767
O6 C22 O7 Zr1 0.000(4) 9_767 9_767
C11 C22 O8 O5 180.00(2) 9_767 11_557
O8 C22 O8 O5 0.000(18) 3_765 11_557
O6 C22 O8 O5 0.000(19) 11_557 11_557
O5 C22 O8 O5 0.000(19) 9_767 11_557
C22 C22 O8 O5 180.00(2) 3_765 11_557
O7 C22 O8 O5 0.000(19) . 11_557
C19 C22 O8 O5 180.000(19) . 11_557
C12 C22 O8 O5 180.000(19) 9_767 11_557
C12 C22 O8 O5 180.00(2) 11_557 11_557
O6 C22 O8 O5 180.00(5) 9_767 11_557
C11 C22 O8 O6 0.00(2) 9_767 9_767
O8 C22 O8 O6 180.000(19) 3_765 9_767
O6 C22 O8 O6 180.000(19) 11_557 9_767
O5 C22 O8 O6 180.000(18) 9_767 9_767
C22 C22 O8 O6 0.00(2) 3_765 9_767
O7 C22 O8 O6 180.000(18) . 9_767
C19 C22 O8 O6 0.000(18) . 9_767
C12 C22 O8 O6 0.000(17) 9_767 9_767
O5 C22 O8 O6 180.00(4) 11_557 9_767
C12 C22 O8 O6 0.000(17) 11_557 9_767
C11 C22 O8 C22 0.00(4) 9_767 3_765
O8 C22 O8 C22 180.00(2) 3_765 3_765
O6 C22 O8 C22 180.00(3) 11_557 3_765
O5 C22 O8 C22 180.00(2) 9_767 3_765
O7 C22 O8 C22 180.00(2) . 3_765
C19 C22 O8 C22 0.000(16) . 3_765
C12 C22 O8 C22 0.000(17) 9_767 3_765
O5 C22 O8 C22 180.00(3) 11_557 3_765
C12 C22 O8 C22 0.000(16) 11_557 3_765
O6 C22 O8 C22 0.00(4) 9_767 3_765
C11 C22 O8 O7 180.00(7) 9_767 3_765
O8 C22 O8 O7 0.00(7) 3_765 3_765
O6 C22 O8 O7 0.00(7) 11_557 3_765
O5 C22 O8 O7 0.00(7) 9_767 3_765
C22 C22 O8 O7 180.00(7) 3_765 3_765
O7 C22 O8 O7 0.00(7) . 3_765
C19 C22 O8 O7 180.00(7) . 3_765
C12 C22 O8 O7 180.00(7) 9_767 3_765
O5 C22 O8 O7 0.00(7) 11_557 3_765
C12 C22 O8 O7 180.00(7) 11_557 3_765
O6 C22 O8 O7 180.00(8) 9_767 3_765
O8 C22 O8 C11 180.00(3) 3_765 9_767
O6 C22 O8 C11 180.00(3) 11_557 9_767
O5 C22 O8 C11 180.00(3) 9_767 9_767
C22 C22 O8 C11 0.00(4) 3_765 9_767
O7 C22 O8 C11 180.00(3) . 9_767
C19 C22 O8 C11 0.00(2) . 9_767
C12 C22 O8 C11 0.00(2) 9_767 9_767
O5 C22 O8 C11 180.000(16) 11_557 9_767
C12 C22 O8 C11 0.00(2) 11_557 9_767
O6 C22 O8 C11 0.00(4) 9_767 9_767
C11 C22 O8 O8 180.00(2) 9_767 3_765
O6 C22 O8 O8 0.000(18) 11_557 3_765
O5 C22 O8 O8 0.000(19) 9_767 3_765
C22 C22 O8 O8 180.000(16) 3_765 3_765
O7 C22 O8 O8 0.000(17) . 3_765
C19 C22 O8 O8 180.000(17) . 3_765
C12 C22 O8 O8 180.000(16) 9_767 3_765
O5 C22 O8 O8 0.00(4) 11_557 3_765
C12 C22 O8 O8 180.000(15) 11_557 3_765
O6 C22 O8 O8 180.000(15) 9_767 3_765
C11 C22 O8 O5 180.000(17) 9_767 9_767
O8 C22 O8 O5 0.000(15) 3_765 9_767
O6 C22 O8 O5 0.000(10) 11_557 9_767
C22 C22 O8 O5 180.000(11) 3_765 9_767
O7 C22 O8 O5 0.000(9) . 9_767
C19 C22 O8 O5 180.000(10) . 9_767
C12 C22 O8 O5 180.000(8) 9_767 9_767
O5 C22 O8 O5 0.00(4) 11_557 9_767
C12 C22 O8 O5 180.000(5) 11_557 9_767
O6 C22 O8 O5 180.000(18) 9_767 9_767
C11 C22 O8 C19 0.000(16) 9_767 3_765
O8 C22 O8 C19 180.000(6) 3_765 3_765
O6 C22 O8 C19 180.000(6) 11_557 3_765
O5 C22 O8 C19 180.000(3) 9_767 3_765
C22 C22 O8 C19 0.000(12) 3_765 3_765
O7 C22 O8 C19 180.000(3) . 3_765
C19 C22 O8 C19 0.000(5) . 3_765
C12 C22 O8 C19 0.000(3) 9_767 3_765
O5 C22 O8 C19 180.00(3) 11_557 3_765
C12 C22 O8 C19 0.000(3) 11_557 3_765
O6 C22 O8 C19 0.00(3) 9_767 3_765
C11 C22 O8 Zr1 180.000(16) 9_767 11_557
O8 C22 O8 Zr1 0.000(4) 3_765 11_557
O6 C22 O8 Zr1 0.000(4) 11_557 11_557
O5 C22 O8 Zr1 0.000(3) 9_767 11_557
C22 C22 O8 Zr1 180.000(13) 3_765 11_557
O7 C22 O8 Zr1 0.000(5) . 11_557
C19 C22 O8 Zr1 180.000(4) . 11_557
C12 C22 O8 Zr1 180.000(5) 9_767 11_557
O5 C22 O8 Zr1 0.00(3) 11_557 11_557
C12 C22 O8 Zr1 180.000(6) 11_557 11_557
O6 C22 O8 Zr1 180.00(3) 9_767 11_557
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 -0.011 -0.010 -0.032 6353 1488 ' '
