#------------------------------------------------------------------------------
#$Date: 2016-09-20 14:11:36 +0300 (Tue, 20 Sep 2016) $
#$Revision: 186650 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/34/1543471.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_1543471
loop_
_publ_author_name
'Sikdar, Nivedita'
'Dutta, Dipak'
'Haldar, Ritesh'
'Ray, Turjya'
'Hazra, Arpan'
'Bhattacharyya, Aninda Jiban'
'Maji, Tapas Kumar'
_publ_section_title
;
 Coordination-Driven Fluorescent J-Aggregates in a
 Perylenetetracarboxylate-Based MOF: Permanent Porosity and Proton
 Conductivity
;
_journal_issue                   25
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              13622
_journal_paper_doi               10.1021/acs.jpcc.6b04347
_journal_volume                  120
_journal_year                    2016
_chemical_formula_sum            'C24 H8.75 K4 O9.125'
_chemical_formula_weight         599.46
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 100.884(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.700(5)
_cell_length_b                   14.543(5)
_cell_length_c                   22.914(5)
_cell_measurement_reflns_used    3826
_cell_measurement_temperature    210(2)
_cell_measurement_theta_max      25.1
_cell_measurement_theta_min      2.3
_cell_volume                     4810(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT  A'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      210(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0383
_diffrn_reflns_av_sigmaI/netI    0.0178
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            83984
_diffrn_reflns_theta_full        25.07
_diffrn_reflns_theta_max         25.07
_diffrn_reflns_theta_min         2.29
_exptl_absorpt_coefficient_mu    0.795
_exptl_absorpt_correction_T_max  0.9392
_exptl_absorpt_correction_T_min  0.9107
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.655
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'hexagonal shaped'
_exptl_crystal_F_000             2414
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.606
_refine_diff_density_min         -1.249
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     754
_refine_ls_number_reflns         8513
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0813
_refine_ls_R_factor_gt           0.0726
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1172P)²+17.8305P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2024
_refine_ls_wR_factor_ref         0.2115
_reflns_number_gt                7391
_reflns_number_total             8513
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            jp6b04347_si_002.cif
_cod_data_source_block           Compound1
_cod_depositor_comments
;
The following automatic conversions were performed:

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

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

 Adding full bibliography for 1543471.cif.
;
_cod_original_sg_symbol_H-M      P21/c
_cod_original_formula_sum        'C48 H17.50 K8 O18.25'
_cod_database_code               1543471
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.8316(3) 0.1262(4) 0.0607(3) 0.0447(13) Uani 1 1 d . . .
C2 C 0.8544(4) 0.3188(4) 0.0401(4) 0.0580(17) Uani 1 1 d U . .
C3 C 0.7330(3) 0.1579(3) 0.05891(19) 0.0280(9) Uani 1 1 d . . .
C4 C 0.7511(3) 0.3165(3) 0.0195(2) 0.0319(10) Uani 1 1 d . . .
C5 C 0.6945(3) 0.2419(3) 0.03292(17) 0.0229(8) Uani 1 1 d . . .
C6 C 0.7098(3) 0.3919(3) -0.0101(3) 0.0440(13) Uani 1 1 d . . .
H6 H 0.7469 0.4394 -0.0196 0.053 Uiso 1 1 calc R . .
C7 C 0.6133(3) 0.3997(3) -0.0267(2) 0.0379(11) Uani 1 1 d . . .
H7 H 0.5880 0.4516 -0.0472 0.045 Uiso 1 1 calc R . .
C8 C 0.5551(3) 0.3317(3) -0.01297(19) 0.0247(8) Uani 1 1 d . . .
C9 C 0.5961(3) 0.2509(3) 0.01739(17) 0.0196(8) Uani 1 1 d . . .
C10 C 0.5376(3) 0.1788(3) 0.03125(17) 0.0218(8) Uani 1 1 d . . .
C11 C 0.5790(3) 0.1031(3) 0.0616(2) 0.0351(11) Uani 1 1 d . . .
H11 H 0.5420 0.0577 0.0736 0.042 Uiso 1 1 calc R . .
C12 C 0.6750(3) 0.0932(3) 0.0746(2) 0.0366(11) Uani 1 1 d . . .
H12 H 0.7003 0.0408 0.0946 0.044 Uiso 1 1 calc R . .
C13 C 0.4537(3) 0.3398(3) -0.03011(18) 0.0223(8) Uani 1 1 d . . .
C14 C 0.4364(3) 0.1852(3) 0.01248(18) 0.0221(8) Uani 1 1 d . . .
C15 C 0.3960(3) 0.2663(3) -0.01687(17) 0.0194(8) Uani 1 1 d . . .
C16 C 0.3783(3) 0.1140(3) 0.0211(2) 0.0359(11) Uani 1 1 d . . .
H16 H 0.4031 0.0621 0.0419 0.043 Uiso 1 1 calc R . .
C17 C 0.2831(3) 0.1181(3) -0.0007(2) 0.0349(10) Uani 1 1 d . . .
H17 H 0.2463 0.0679 0.0049 0.042 Uiso 1 1 calc R . .
C18 C 0.2425(3) 0.1938(3) -0.02986(18) 0.0235(8) Uani 1 1 d . . .
C19 C 0.2976(3) 0.2730(3) -0.03487(17) 0.0207(8) Uani 1 1 d . . .
C20 C 0.2586(3) 0.3580(3) -0.05863(19) 0.0250(9) Uani 1 1 d . . .
C21 C 0.3159(3) 0.4246(3) -0.0729(2) 0.0386(11) Uani 1 1 d . . .
H21 H 0.2902 0.4777 -0.0918 0.046 Uiso 1 1 calc R A 1
C22 C 0.4122(3) 0.4152(3) -0.0599(2) 0.0367(11) Uani 1 1 d . . .
H22 H 0.4490 0.4611 -0.0716 0.044 Uiso 1 1 calc R . .
C23 C 0.1454(3) 0.1821(3) -0.0657(2) 0.0275(9) Uani 1 1 d . . .
C24 C 0.1571(3) 0.3797(3) -0.0627(2) 0.0299(9) Uani 1 1 d . . .
C25 C 0.1662(4) 0.4329(5) 0.1261(2) 0.0548(17) Uani 1 1 d . . .
C26 C 0.1601(3) 0.5399(4) 0.2312(2) 0.0355(11) Uani 1 1 d . . .
C27 C 0.2703(3) 0.4360(4) 0.1491(2) 0.0334(10) Uani 1 1 d . . .
C28 C 0.3242(3) 0.3818(4) 0.1205(2) 0.0375(11) Uani 1 1 d . . .
H28 H 0.2956 0.3433 0.0901 0.045 Uiso 1 1 calc R . .
C29 C 0.4207(3) 0.3825(3) 0.1357(2) 0.0325(10) Uani 1 1 d . . .
H29 H 0.4550 0.3446 0.1153 0.039 Uiso 1 1 calc R . .
C30 C 0.4662(3) 0.4389(3) 0.18074(17) 0.0227(8) Uani 1 1 d . . .
C31 C 0.4122(3) 0.4976(3) 0.21063(17) 0.0219(8) Uani 1 1 d . . .
C32 C 0.3128(3) 0.4950(3) 0.19587(18) 0.0247(8) Uani 1 1 d . . .
C33 C 0.2612(3) 0.5515(3) 0.22911(19) 0.0293(9) Uani 1 1 d . . .
C34 C 0.3076(3) 0.6150(3) 0.2684(2) 0.0372(11) Uani 1 1 d . . .
H34 H 0.2738 0.6561 0.2869 0.045 Uiso 1 1 calc R . .
C35 C 0.4034(3) 0.6191(3) 0.2810(2) 0.0351(10) Uani 1 1 d . . .
H35 H 0.4323 0.6635 0.3073 0.042 Uiso 1 1 calc R . .
C36 C 0.4571(3) 0.5585(3) 0.25548(18) 0.0232(8) Uani 1 1 d . . .
C37 C 0.5584(3) 0.5547(3) 0.27527(18) 0.0230(8) Uani 1 1 d . . .
C38 C 0.6125(3) 0.4916(3) 0.24850(17) 0.0205(8) Uani 1 1 d . . .
C39 C 0.7101(3) 0.4827(3) 0.27082(18) 0.0225(8) Uani 1 1 d . . .
C40 C 0.7525(3) 0.5435(3) 0.3171(2) 0.0334(10) Uani 1 1 d . . .
C41 C 0.6980(3) 0.6042(4) 0.3409(2) 0.0442(13) Uani 1 1 d . . .
H41 H 0.7256 0.6443 0.3721 0.053 Uiso 1 1 d R . .
C42 C 0.6029(3) 0.6095(3) 0.3214(2) 0.0370(11) Uani 1 1 d . . .
H42 H 0.5685 0.6505 0.3396 0.044 Uiso 1 1 calc R . .
C43 C 0.5682(3) 0.4362(3) 0.19939(17) 0.0218(8) Uani 1 1 d . . .
C44 C 0.6228(3) 0.3802(3) 0.17196(19) 0.0290(9) Uani 1 1 d . . .
H44 H 0.5965 0.3495 0.1373 0.035 Uiso 1 1 calc R . .
C45 C 0.7173(3) 0.3683(3) 0.19518(19) 0.0285(9) Uani 1 1 d . . .
H45 H 0.7519 0.3290 0.1759 0.034 Uiso 1 1 calc R . .
C46 C 0.7604(3) 0.4133(3) 0.24576(18) 0.0232(8) Uani 1 1 d . . .
C47 C 0.8533(3) 0.3757(3) 0.27638(19) 0.0250(9) Uani 1 1 d . . .
C48 C 0.8554(4) 0.5542(4) 0.3384(3) 0.0564(18) Uani 1 1 d . . .
O1 O 0.8622(3) 0.1362(3) 0.0129(2) 0.0659(12) Uani 1 1 d . . .
O2 O 0.8728(3) 0.0862(3) 0.1036(3) 0.0755(16) Uani 1 1 d . . .
O3 O 0.9040(3) 0.3500(4) 0.0112(3) 0.099(2) Uani 1 1 d U . .
O4 O 0.8848(3) 0.2989(3) 0.0969(2) 0.0664(13) Uani 1 1 d . . .
O5 O 0.9111(2) 0.3533(2) 0.24627(14) 0.0353(7) Uani 1 1 d . . .
O6 O 0.8650(2) 0.3646(2) 0.33218(14) 0.0330(7) Uani 1 1 d . . .
O3W O 0.1413(8) 0.2151(7) -0.2754(5) 0.024(2) Uani 0.25 1 d P . .
H1O3 H 0.1340 0.2396 -0.3078 0.036 Uiso 0.25 1 d PR . .
H2O3 H 0.1340 0.1556 -0.2778 0.036 Uiso 0.25 1 d PR . .
O7 O 0.9028(3) 0.5613(3) 0.2972(3) 0.0777(17) Uani 1 1 d . . .
O8 O 0.8870(3) 0.5637(4) 0.3907(3) 0.103(2) Uani 1 1 d U . .
O9 O 0.1082(2) 0.6078(3) 0.22281(19) 0.0578(11) Uani 1 1 d . . .
O10 O 0.1370(2) 0.4616(3) 0.24597(16) 0.0481(9) Uani 1 1 d . . .
O11 O 0.1292(3) 0.3553(4) 0.1257(3) 0.0832(18) Uani 1 1 d . . .
O12 O 0.1258(3) 0.5063(4) 0.10927(17) 0.0669(14) Uani 1 1 d . . .
O13 O 0.0861(2) 0.1404(2) -0.04381(15) 0.0347(7) Uani 1 1 d . . .
O14 O 0.1333(2) 0.2096(3) -0.11862(15) 0.0391(8) Uani 1 1 d . . .
O15 O 0.1183(2) 0.4261(3) -0.10748(18) 0.0478(9) Uani 1 1 d . . .
O16 O 0.1182(2) 0.3533(2) -0.02266(16) 0.0400(8) Uani 1 1 d . . .
K1 K 0.04247(6) 0.05323(7) -0.16056(5) 0.0341(3) Uani 1 1 d . . .
K2 K 0.96089(12) 0.19652(10) 0.19447(8) 0.0391(3) Uani 0.85 1 d P . 1
K5 K 0.1952(3) 0.3415(2) -0.19408(12) 0.0951(9) Uani 0.70 1 d P . 1
K7 K -0.0251(3) 0.2897(4) -0.1471(3) 0.0323(11) Uani 0.20 1 d P . 1
K8 K 0.7500(4) 0.3443(5) 0.4055(3) 0.154(2) Uani 0.55 1 d PU . 1
O1WA O 0.2595(6) 0.1832(6) -0.2024(4) 0.0278(19) Uani 0.33 1 d P B 1
O5WB O 0.461(3) 0.195(3) -0.1695(18) 0.150(13) Uiso 0.25 1 d P C 1
K2A K 1.0013(7) 0.2104(6) 0.2209(5) 0.046(2) Uani 0.15 1 d P . 2
K5A K 0.1227(7) 0.3339(10) -0.2141(6) 0.164(5) Uani 0.30 1 d P . 2
K7A K -0.04309(10) 0.30615(11) -0.11377(9) 0.0443(4) Uani 0.80 1 d P . 2
K8A K 0.6709(5) 0.3992(6) 0.4079(4) 0.088(2) Uani 0.25 1 d P . 2
K8B K 0.6969(10) 0.2459(8) 0.3657(5) 0.114(4) Uani 0.20 1 d P . 2
O1WB O 0.3329(7) 0.1345(7) -0.1595(4) 0.041(2) Uani 0.34 1 d P D 2
O1WC O 0.3034(12) 0.2415(11) -0.2438(7) 0.081(5) Uani 0.33 1 d P D 2
O5WA O 0.3611(17) 0.2016(17) -0.1920(11) 0.087(6) Uiso 0.25 1 d P D 2
K3 K 0.02641(7) 0.55833(8) -0.16071(5) 0.0398(3) Uani 1 1 d . . .
K4 K 0.0000 0.5000 0.0000 0.0314(3) Uani 1 2 d S . .
K6 K 0.04889(7) 0.23242(7) 0.05138(4) 0.0340(3) Uani 1 1 d . . .
K9 K 0.0000 0.0000 0.0000 0.0470(4) Uani 1 2 d S . .
O4W O -0.1594(19) 0.3431(18) -0.0943(11) 0.098(8) Uani 0.25 1 d P . .
H1O4 H -0.1368 0.3454 -0.0557 0.147 Uiso 0.25 1 d PR . .
H2O4 H -0.1481 0.3992 -0.1010 0.147 Uiso 0.25 1 d PR . .
O2W O 0.5836(18) 0.1032(19) -0.1026(12) 0.100(7) Uiso 0.25 1 d P . .
H2O2 H 0.5766 0.1047 -0.0671 0.149 Uiso 0.25 1 d PR . .
H1O2 H 0.5366 0.1347 -0.1271 0.149 Uiso 0.25 1 d PR . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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
O2 C1 O1 123.7(6) . .
O2 C1 C3 120.1(5) . .
O1 C1 C3 115.8(5) . .
O2 C1 K2 46.2(3) . .
O1 C1 K2 120.6(3) . .
C3 C1 K2 107.3(3) . .
O3 C2 O4 120.8(5) . .
O3 C2 C4 122.2(6) . .
O4 C2 C4 115.9(6) . .
O3 C2 K6 62.4(3) . 1_655
O4 C2 K6 72.2(3) . 1_655
C4 C2 K6 151.9(4) . 1_655
O3 C2 K3 88.6(5) . 3_665
O4 C2 K3 46.0(3) . 3_665
C4 C2 K3 126.1(4) . 3_665
K6 C2 K3 79.80(13) 1_655 3_665
C12 C3 C5 118.8(4) . .
C12 C3 C1 115.2(4) . .
C5 C3 C1 125.0(4) . .
C12 C3 K8A 92.1(3) . 4_565
C5 C3 K8A 77.4(3) . 4_565
C1 C3 K8A 91.4(3) . 4_565
C6 C4 C5 119.4(4) . .
C6 C4 C2 117.8(4) . .
C5 C4 C2 122.7(4) . .
C6 C4 K8 103.0(4) . 4_565
C5 C4 K8 74.5(3) . 4_565
C2 C4 K8 96.4(4) . 4_565
C3 C5 C9 119.0(4) . .
C3 C5 C4 122.4(4) . .
C9 C5 C4 118.5(4) . .
C3 C5 K8 84.4(3) . 4_565
C9 C5 K8 102.4(3) . 4_565
C4 C5 K8 81.6(3) . 4_565
C3 C5 K8A 79.1(3) . 4_565
C9 C5 K8A 84.8(3) . 4_565
C4 C5 K8A 104.0(3) . 4_565
K8 C5 K8A 23.72(14) 4_565 4_565
C4 C6 C7 122.0(4) . .
C4 C6 K8B 83.9(4) . 4_565
C7 C6 K8B 85.9(4) . 4_565
C8 C7 C6 121.3(4) . .
C7 C8 C9 118.3(4) . .
C7 C8 C13 121.4(4) . .
C9 C8 C13 120.3(3) . .
C10 C9 C5 120.0(3) . .
C10 C9 C8 119.5(3) . .
C5 C9 C8 120.5(4) . .
C11 C10 C9 118.1(4) . .
C11 C10 C14 121.5(4) . .
C9 C10 C14 120.4(3) . .
C10 C11 C12 121.5(4) . .
C3 C12 C11 122.1(4) . .
C22 C13 C15 118.5(4) . .
C22 C13 C8 121.9(4) . .
C15 C13 C8 119.6(3) . .
C16 C14 C15 118.2(4) . .
C16 C14 C10 122.0(4) . .
C15 C14 C10 119.8(3) . .
C14 C15 C13 120.4(3) . .
C14 C15 C19 119.9(3) . .
C13 C15 C19 119.7(3) . .
C14 C16 C17 121.6(4) . .
C18 C17 C16 121.6(4) . .
C17 C18 C19 119.3(4) . .
C17 C18 C23 117.1(4) . .
C19 C18 C23 122.5(4) . .
C20 C19 C18 122.6(3) . .
C20 C19 C15 118.7(4) . .
C18 C19 C15 118.7(4) . .
C21 C20 C19 119.1(4) . .
C21 C20 C24 118.9(4) . .
C19 C20 C24 121.7(4) . .
C21 C20 K5 84.1(3) . .
C19 C20 K5 109.9(3) . .
C24 C20 K5 81.2(3) . .
C20 C21 C22 121.7(4) . .
C20 C21 K5 71.1(3) . .
C22 C21 K5 121.1(4) . .
C13 C22 C21 121.5(4) . .
O13 C23 O14 124.2(4) . .
O13 C23 C18 119.7(4) . .
O14 C23 C18 115.8(4) . .
O13 C23 K1 72.3(2) . .
O14 C23 K1 63.1(2) . .
C18 C23 K1 138.2(3) . .
O13 C23 K7 86.7(3) . .
O14 C23 K7 48.4(2) . .
C18 C23 K7 143.8(3) . .
K1 C23 K7 70.09(14) . .
O13 C23 K7A 78.1(2) . .
O14 C23 K7A 63.2(2) . .
C18 C23 K7A 139.6(3) . .
K1 C23 K7A 79.99(10) . .
K7 C23 K7A 15.51(11) . .
O13 C23 K6 49.2(2) . .
O14 C23 K6 134.4(3) . .
C18 C23 K6 92.3(2) . .
K1 C23 K6 118.54(13) . .
K7 C23 K6 87.52(16) . .
K7A C23 K6 72.11(9) . .
O16 C24 O15 124.5(4) . .
O16 C24 C20 118.8(4) . .
O15 C24 C20 116.7(4) . .
O16 C24 K7A 68.7(2) . .
O15 C24 K7A 68.5(2) . .
C20 C24 K7A 142.8(3) . .
O16 C24 K5 146.3(3) . .
O15 C24 K5 57.7(3) . .
C20 C24 K5 71.1(2) . .
K7A C24 K5 84.75(13) . .
O16 C24 K7 82.6(3) . .
O15 C24 K7 62.7(3) . .
C20 C24 K7 130.0(3) . .
K7A C24 K7 15.76(10) . .
K5 C24 K7 69.15(16) . .
O16 C24 K4 53.2(2) . .
O15 C24 K4 80.3(3) . .
C20 C24 K4 144.9(3) . .
K7A C24 K4 70.82(9) . .
K5 C24 K4 137.10(16) . .
K7 C24 K4 84.85(15) . .
O16 C24 K5A 133.1(4) . .
O15 C24 K5A 48.4(3) . .
C20 C24 K5A 88.7(3) . .
K7A C24 K5A 67.2(2) . .
K5 C24 K5A 18.12(17) . .
K7 C24 K5A 51.9(2) . .
K4 C24 K5A 122.3(2) . .
O12 C25 O11 126.1(5) . .
O12 C25 C27 118.0(6) . .
O11 C25 C27 115.9(6) . .
O12 C25 K3 68.7(3) . 3_565
O11 C25 K3 67.7(3) . 3_565
C27 C25 K3 145.2(3) . 3_565
O9 C26 O10 125.1(5) . .
O9 C26 C33 119.2(5) . .
O10 C26 C33 115.5(4) . .
O9 C26 K3 80.5(3) . 3_565
O10 C26 K3 59.1(2) . 3_565
C33 C26 K3 141.4(3) . 3_565
O9 C26 K7 24.0(3) . 3_565
O10 C26 K7 129.4(3) . 3_565
C33 C26 K7 111.2(3) . 3_565
K3 C26 K7 72.57(12) 3_565 3_565
O9 C26 K2 37.6(3) . 2_655
O10 C26 K2 105.7(3) . 2_655
C33 C26 K2 122.3(3) . 2_655
K3 C26 K2 93.96(11) 3_565 2_655
K7 C26 K2 61.60(14) 3_565 2_655
C28 C27 C32 119.8(4) . .
C28 C27 C25 116.8(4) . .
C32 C27 C25 123.3(4) . .
C27 C28 C29 122.0(4) . .
C30 C29 C28 120.9(4) . .
C29 C30 C31 118.5(4) . .
C29 C30 C43 121.3(4) . .
C31 C30 C43 120.2(3) . .
C36 C31 C30 119.7(3) . .
C36 C31 C32 119.9(4) . .
C30 C31 C32 120.4(4) . .
C27 C32 C33 123.1(4) . .
C27 C32 C31 118.4(4) . .
C33 C32 C31 118.5(4) . .
C34 C33 C32 119.1(4) . .
C34 C33 C26 115.1(4) . .
C32 C33 C26 125.3(4) . .
C33 C34 C35 121.7(4) . .
C34 C35 C36 121.5(4) . .
C35 C36 C31 118.6(4) . .
C35 C36 C37 121.2(4) . .
C31 C36 C37 120.2(4) . .
C42 C37 C38 118.5(4) . .
C42 C37 C36 121.2(4) . .
C38 C37 C36 120.3(3) . .
C37 C38 C39 120.4(4) . .
C37 C38 C43 119.4(3) . .
C39 C38 C43 120.3(4) . .
C40 C39 C46 123.1(4) . .
C40 C39 C38 118.3(4) . .
C46 C39 C38 118.5(4) . .
C40 C39 K8A 70.9(3) . .
C46 C39 K8A 107.4(3) . .
C38 C39 K8A 91.6(3) . .
C40 C39 K5 76.4(3) . 3_665
C46 C39 K5 91.6(2) . 3_665
C38 C39 K5 102.6(2) . 3_665
K8A C39 K5 147.2(2) . 3_665
C41 C40 C39 119.1(4) . .
C41 C40 C48 115.5(4) . .
C39 C40 C48 125.1(4) . .
C41 C40 K8A 81.5(4) . .
C39 C40 K8A 85.2(3) . .
C48 C40 K8A 108.7(4) . .
C41 C40 K5 104.2(4) . 3_665
C39 C40 K5 80.1(3) . 3_665
C48 C40 K5 81.5(4) . 3_665
K8A C40 K5 165.2(2) . 3_665
C41 C40 K8 103.3(4) . .
C39 C40 K8 82.4(3) . .
C48 C40 K8 91.0(4) . .
K8A C40 K8 23.61(15) . .
K5 C40 K8 152.04(18) 3_665 .
C40 C41 C42 122.5(4) . .
C40 C41 K8A 75.0(3) . .
C42 C41 K8A 89.8(4) . .
C37 C42 C41 121.0(4) . .
C44 C43 C38 118.1(4) . .
C44 C43 C30 122.1(4) . .
C38 C43 C30 119.8(3) . .
C43 C44 C45 121.5(4) . .
C46 C45 C44 121.8(4) . .
C45 C46 C39 118.8(4) . .
C45 C46 C47 116.7(4) . .
C39 C46 C47 123.8(4) . .
O5 C47 O6 123.6(4) . .
O5 C47 C46 119.4(4) . .
O6 C47 C46 116.9(4) . .
O5 C47 K1 72.1(2) . 4_666
O6 C47 K1 68.2(2) . 4_666
C46 C47 K1 139.1(3) . 4_666
O5 C47 K7 75.2(3) . 4_666
O6 C47 K7 54.2(2) . 4_666
C46 C47 K7 149.4(3) . 4_666
K1 C47 K7 69.06(12) 4_666 4_666
O8 C48 O7 124.1(6) . .
O8 C48 C40 120.6(7) . .
O7 C48 C40 115.0(6) . .
O8 C48 K1 83.0(3) . 4_666
O7 C48 K1 56.7(3) . 4_666
C40 C48 K1 140.3(3) . 4_666
O8 C48 K5A 135.0(6) . 3_665
O7 C48 K5A 34.9(4) . 3_665
C40 C48 K5A 91.5(4) . 3_665
K1 C48 K5A 91.3(3) 4_666 3_665
O8 C48 K2A 99.3(5) . 2_755
O7 C48 K2A 38.5(3) . 2_755
C40 C48 K2A 125.1(4) . 2_755
K1 C48 K2A 74.9(2) 4_666 2_755
K5A C48 K2A 37.0(3) 3_665 2_755
C1 O1 K8 122.9(3) . 4_565
C1 O1 K9 112.3(4) . 1_655
K8 O1 K9 107.3(2) 4_565 1_655
C1 O1 K6 104.4(3) . 1_655
K8 O1 K6 125.0(2) 4_565 1_655
K9 O1 K6 74.63(10) 1_655 1_655
C1 O1 K8A 102.4(3) . 4_565
K8 O1 K8A 23.88(17) 4_565 4_565
K9 O1 K8A 109.2(2) 1_655 4_565
K6 O1 K8A 148.9(2) 1_655 4_565
C1 O2 K1 155.2(5) . 3_655
C1 O2 K2 115.4(4) . .
K1 O2 K2 87.84(14) 3_655 .
C2 O3 K4 141.4(6) . 1_655
C2 O3 K6 95.5(4) . 1_655
K4 O3 K6 98.74(13) 1_655 1_655
C2 O3 K7A 136.2(6) . 1_655
K4 O3 K7A 81.43(14) 1_655 1_655
K6 O3 K7A 82.57(17) 1_655 1_655
C2 O4 K3 113.5(4) . 3_665
C2 O4 K2 158.2(4) . .
K3 O4 K2 84.01(12) 3_665 .
C2 O4 K6 82.6(4) . 1_655
K3 O4 K6 95.61(14) 3_665 1_655
K2 O4 K6 82.86(12) . 1_655
C2 O4 K2A 163.1(4) . .
K3 O4 K2A 73.5(2) 3_665 .
K2 O4 K2A 10.89(18) . .
K6 O4 K2A 81.40(17) 1_655 .
C47 O5 K2A 140.5(4) . .
C47 O5 K3 131.1(3) . 3_665
K2A O5 K3 87.7(2) . 3_665
C47 O5 K2 137.0(3) . .
K2A O5 K2 16.8(2) . .
K3 O5 K2 85.66(10) 3_665 .
C47 O5 K1 84.2(2) . 4_666
K2A O5 K1 103.9(3) . 4_666
K3 O5 K1 92.37(11) 3_665 4_666
K2 O5 K1 120.63(11) . 4_666
C47 O5 K7 83.0(3) . 4_666
K2A O5 K7 64.0(3) . 4_666
K3 O5 K7 141.70(15) 3_665 4_666
K2 O5 K7 74.09(13) . 4_666
K1 O5 K7 71.85(12) 4_666 4_666
C47 O6 K8 132.9(3) . .
C47 O6 K7 103.9(3) . 4_666
K8 O6 K7 103.1(2) . 4_666
C47 O6 K1 87.4(2) . 4_666
K8 O6 K1 135.0(2) . 4_666
K7 O6 K1 80.25(14) 4_666 4_666
C47 O6 K7A 119.3(3) . 4_666
K8 O6 K7A 86.33(14) . 4_666
K7 O6 K7A 17.20(12) 4_666 4_666
K1 O6 K7A 89.24(9) 4_666 4_666
C47 O6 K8B 110.1(3) . .
K8 O6 K8B 33.8(3) . .
K7 O6 K8B 88.5(3) 4_666 .
K1 O6 K8B 161.1(3) 4_666 .
K7A O6 K8B 76.3(3) 4_666 .
K5A O3W K2A 57.1(4) . 4_465
K5A O3W K5 24.2(3) . .
K2A O3W K5 81.1(4) 4_465 .
K5A O3W K2 66.5(4) . 4_465
K2A O3W K2 11.5(3) 4_465 4_465
K5 O3W K2 89.9(3) . 4_465
C48 O7 K5A 127.5(5) . 3_665
C48 O7 K2A 124.0(5) . 2_755
K5A O7 K2A 50.9(4) 3_665 2_755
C48 O7 K1 99.8(4) . 4_666
K5A O7 K1 132.2(4) 3_665 4_666
K2A O7 K1 99.8(3) 2_755 4_666
C48 O7 K2 119.4(4) . 2_755
K5A O7 K2 67.1(3) 3_665 2_755
K2A O7 K2 16.5(2) 2_755 2_755
K1 O7 K2 85.52(12) 4_666 2_755
C48 O7 K5 112.7(3) . 3_665
K5A O7 K5 21.2(2) 3_665 3_665
K2A O7 K5 70.8(3) 2_755 3_665
K1 O7 K5 145.9(3) 4_666 3_665
K2 O7 K5 87.23(15) 2_755 3_665
C48 O8 K6 126.1(5) . 2_655
C48 O8 K9 151.1(4) . 2_655
K6 O8 K9 77.74(11) 2_655 2_655
C48 O8 K1 75.3(4) . 4_666
K6 O8 K1 115.15(18) 2_655 4_666
K9 O8 K1 79.43(11) 2_655 4_666
C26 O9 K7 144.0(4) . 3_565
C26 O9 K2 125.8(4) . 2_655
K7 O9 K2 90.2(2) 3_565 2_655
C26 O9 K2A 140.6(4) . 2_655
K7 O9 K2A 74.8(3) 3_565 2_655
K2 O9 K2A 17.0(2) 2_655 2_655
C26 O9 K7A 126.2(3) . 3_565
K7 O9 K7A 17.85(15) 3_565 3_565
K2 O9 K7A 107.98(15) 2_655 3_565
K2A O9 K7A 92.6(3) 2_655 3_565
C26 O9 K3 77.5(3) . 3_565
K7 O9 K3 87.80(17) 3_565 3_565
K2 O9 K3 112.87(14) 2_655 3_565
K2A O9 K3 104.5(2) 2_655 3_565
K7A O9 K3 82.25(10) 3_565 3_565
C26 O10 K1 118.7(3) . 4_566
C26 O10 K3 98.4(3) . 3_565
K1 O10 K3 92.37(10) 4_566 3_565
C25 O11 K6 140.3(5) . .
C25 O11 K3 88.3(3) . 3_565
K6 O11 K3 101.43(13) . 3_565
C25 O12 K4 116.1(4) . .
C25 O12 K3 87.4(4) . 3_565
K4 O12 K3 85.58(12) . 3_565
C25 O12 K7A 160.4(3) . 3_565
K4 O12 K7A 81.83(12) . 3_565
K3 O12 K7A 86.07(12) 3_565 3_565
C23 O13 K9 159.2(3) . .
C23 O13 K6 110.4(3) . .
K9 O13 K6 83.89(9) . .
C23 O13 K1 83.8(2) . .
K9 O13 K1 88.56(9) . .
K6 O13 K1 155.74(12) . .
C23 O13 K7A 80.2(3) . .
K9 O13 K7A 117.89(10) . .
K6 O13 K7A 81.04(9) . .
K1 O13 K7A 82.24(9) . .
C23 O13 K7 71.9(3) . .
K9 O13 K7 123.09(13) . .
K6 O13 K7 95.84(15) . .
K1 O13 K7 69.23(13) . .
K7A O13 K7 15.14(10) . .
C23 O14 K7 110.2(3) . .
C23 O14 K1 92.6(3) . .
K7 O14 K1 85.90(16) . .
C23 O14 K5A 158.4(4) . .
K7 O14 K5A 66.3(3) . .
K1 O14 K5A 108.1(3) . .
C23 O14 K5 142.9(3) . .
K7 O14 K5 85.34(18) . .
K1 O14 K5 122.76(14) . .
K5A O14 K5 22.1(2) . .
C23 O14 K7A 94.6(3) . .
K7 O14 K7A 16.54(14) . .
K1 O14 K7A 91.99(10) . .
K5A O14 K7A 78.8(3) . .
K5 O14 K7A 94.94(14) . .
C24 O15 K3 155.7(3) . .
C24 O15 K5 99.3(3) . .
K3 O15 K5 104.31(16) . .
C24 O15 K5A 111.7(4) . .
K3 O15 K5A 92.4(3) . .
K5 O15 K5A 22.5(2) . .
C24 O15 K7 94.5(3) . .
K3 O15 K7 94.47(15) . .
K5 O15 K7 80.93(19) . .
K5A O15 K7 62.3(3) . .
C24 O15 K7A 87.7(3) . .
K3 O15 K7A 94.32(11) . .
K5 O15 K7A 97.90(15) . .
K5A O15 K7A 79.8(3) . .
K7 O15 K7A 17.48(12) . .
C24 O16 K6 158.7(3) . .
C24 O16 K4 106.6(3) . .
K6 O16 K4 93.21(10) . .
C24 O16 K7A 88.3(3) . .
K6 O16 K7A 86.91(10) . .
K4 O16 K7A 82.32(9) . .
C24 O16 K7 76.0(3) . .
K6 O16 K7 95.84(14) . .
K4 O16 K7 93.13(14) . .
K7A O16 K7 14.44(9) . .
O2 K1 O7 87.59(15) 3_655 4_465
O2 K1 O14 108.57(13) 3_655 .
O7 K1 O14 159.95(12) 4_465 .
O2 K1 O10 93.71(16) 3_655 4_565
O7 K1 O10 97.74(17) 4_465 4_565
O14 K1 O10 93.08(12) . 4_565
O2 K1 O6 134.75(14) 3_655 4_465
O7 K1 O6 66.93(11) 4_465 4_465
O14 K1 O6 93.04(10) . 4_465
O10 K1 O6 125.12(10) 4_565 4_465
O2 K1 O13 82.94(15) 3_655 .
O7 K1 O13 128.43(16) 4_465 .
O14 K1 O13 45.95(10) . .
O10 K1 O13 133.30(11) 4_565 .
O6 K1 O13 84.94(9) 4_465 .
O2 K1 O5 156.31(13) 3_655 4_465
O7 K1 O5 70.75(13) 4_465 4_465
O14 K1 O5 94.69(11) . 4_465
O10 K1 O5 80.26(10) 4_565 4_465
O6 K1 O5 44.88(9) 4_465 4_465
O13 K1 O5 117.84(10) . 4_465
O2 K1 C23 89.73(14) 3_655 .
O7 K1 C23 152.08(17) 4_465 .
O14 K1 C23 24.33(11) . .
O10 K1 C23 110.16(12) 4_565 .
O6 K1 C23 96.31(10) 4_465 .
O13 K1 C23 23.93(10) . .
O5 K1 C23 113.89(11) 4_465 .
O2 K1 C47 143.81(13) 3_655 4_465
O7 K1 C47 58.24(12) 4_465 4_465
O14 K1 C47 103.06(11) . 4_465
O10 K1 C47 101.82(11) 4_565 4_465
O6 K1 C47 24.44(10) 4_465 4_465
O13 K1 C47 107.98(10) . 4_465
O5 K1 C47 23.65(10) 4_465 4_465
C23 K1 C47 114.43(11) . 4_465
O2 K1 C48 87.23(14) 3_655 4_465
O7 K1 C48 23.51(18) 4_465 4_465
O14 K1 C48 141.70(16) . 4_465
O10 K1 C48 121.24(18) 4_565 4_465
O6 K1 C48 54.54(12) 4_465 4_465
O13 K1 C48 105.17(16) . 4_465
O5 K1 C48 76.75(12) 4_465 4_465
C23 K1 C48 128.60(17) . 4_465
C47 K1 C48 56.75(12) 4_465 4_465
O2 K1 O8 73.28(15) 3_655 4_465
O7 K1 O8 42.25(19) 4_465 4_465
O14 K1 O8 130.04(16) . 4_465
O10 K1 O8 136.85(17) 4_565 4_465
O6 K1 O8 62.62(12) 4_465 4_465
O13 K1 O8 86.78(14) . 4_465
O5 K1 O8 95.42(10) 4_465 4_465
C23 K1 O8 110.70(15) . 4_465
C47 K1 O8 73.05(11) 4_465 4_465
C48 K1 O8 21.71(15) 4_465 4_465
O2 K1 K7 144.52(16) 3_655 .
O7 K1 K7 114.75(12) 4_465 .
O14 K1 K7 45.38(11) . .
O10 K1 K7 109.04(14) 4_565 .
O6 K1 K7 48.76(10) 4_465 .
O13 K1 K7 61.62(12) . .
O5 K1 K7 57.70(11) 4_465 .
C23 K1 K7 57.37(12) . .
C47 K1 K7 58.55(11) 4_465 .
C48 K1 K7 102.63(14) 4_465 .
O8 K1 K7 104.17(16) 4_465 .
O9 K2 O5 85.72(14) 2_645 .
O9 K2 O4 134.05(15) 2_645 .
O5 K2 O4 78.43(12) . .
O9 K2 O2 93.92(16) 2_645 .
O5 K2 O2 133.52(12) . .
O4 K2 O2 68.79(14) . .
O9 K2 O7 88.59(18) 2_645 2_745
O5 K2 O7 143.78(14) . 2_745
O4 K2 O7 128.00(19) . 2_745
O2 K2 O7 82.52(13) . 2_745
O9 K2 O3W 120.1(2) 2_645 4_666
O5 K2 O3W 80.5(2) . 4_666
O4 K2 O3W 99.6(2) . 4_666
O2 K2 O3W 135.6(2) . 4_666
O7 K2 O3W 71.6(2) 2_745 4_666
O9 K2 C1 105.71(14) 2_645 .
O5 K2 C1 119.09(12) . .
O4 K2 C1 50.49(13) . .
O2 K2 C1 18.40(12) . .
O7 K2 C1 96.89(15) 2_745 .
O3W K2 C1 131.9(2) 4_666 .
O9 K2 C26 16.61(13) 2_645 2_645
O5 K2 C26 97.37(12) . 2_645
O4 K2 C26 125.44(14) . 2_645
O2 K2 C26 77.32(15) . 2_645
O7 K2 C26 86.17(15) 2_745 2_645
O3W K2 C26 133.8(2) 4_666 2_645
C1 K2 C26 89.67(13) . 2_645
O9 K2 K7 42.48(13) 2_645 4_666
O5 K2 K7 59.02(11) . 4_666
O4 K2 K7 136.73(14) . 4_666
O2 K2 K7 136.40(16) . 4_666
O7 K2 K7 93.84(17) 2_745 4_666
O3W K2 K7 82.0(2) 4_666 4_666
C1 K2 K7 146.15(14) . 4_666
C26 K2 K7 59.09(12) 2_645 4_666
O9 K2 K3 131.87(12) 2_645 3_665
O5 K2 K3 46.19(8) . 3_665
O4 K2 K3 47.79(9) . 3_665
O2 K2 K3 116.33(11) . 3_665
O7 K2 K3 129.54(12) 2_745 3_665
O3W K2 K3 62.6(2) 4_666 3_665
C1 K2 K3 98.20(10) . 3_665
C26 K2 K3 141.52(10) 2_645 3_665
K7 K2 K3 99.41(10) 4_666 3_665
O9 K2 K1 71.43(12) 2_645 3_655
O5 K2 K1 155.90(9) . 3_655
O4 K2 K1 111.92(11) . 3_655
O2 K2 K1 44.39(9) . 3_655
O7 K2 K1 46.00(8) 2_745 3_655
O3W K2 K1 117.2(2) 4_666 3_655
C1 K2 K1 62.60(9) . 3_655
C26 K2 K1 58.70(10) 2_645 3_655
K7 K2 K1 105.14(10) 4_666 3_655
K3 K2 K1 155.21(5) 3_665 3_655
O9 K2 K6 158.12(12) 2_645 1_655
O5 K2 K6 115.14(8) . 1_655
O4 K2 K6 51.09(11) . 1_655
O2 K2 K6 67.25(13) . 1_655
O7 K2 K6 78.31(15) 2_745 1_655
O3W K2 K6 72.5(2) 4_666 1_655
C1 K2 K6 59.38(10) . 1_655
C26 K2 K6 142.71(10) 2_645 1_655
K7 K2 K6 154.47(10) 4_666 1_655
K3 K2 K6 69.07(3) 3_665 1_655
K1 K2 K6 86.95(4) 3_655 1_655
O1WA K5 O3W 51.1(3) . .
O1WA K5 O15 132.6(2) . .
O3W K5 O15 135.5(3) . .
O1WA K5 O14 66.2(2) . .
O3W K5 O14 82.6(3) . .
O15 K5 O14 68.96(13) . .
O1WA K5 O7 121.5(3) . 3_665
O3W K5 O7 74.1(3) . 3_665
O15 K5 O7 99.29(19) . 3_665
O14 K5 O7 131.20(17) . 3_665
O1WA K5 C20 95.8(2) . .
O3W K5 C20 139.7(3) . .
O15 K5 C20 47.58(11) . .
O14 K5 C20 60.67(12) . .
O7 K5 C20 142.66(19) 3_665 .
O1WA K5 C24 111.4(2) . .
O3W K5 C24 134.6(3) . .
O15 K5 C24 22.96(10) . .
O14 K5 C24 54.17(12) . .
O7 K5 C24 122.19(19) 3_665 .
C20 K5 C24 27.68(10) . .
O1WA K5 C21 104.8(3) . .
O3W K5 C21 155.8(3) . .
O15 K5 C21 56.46(12) . .
O14 K5 C21 85.23(13) . .
O7 K5 C21 128.78(16) 3_665 .
C20 K5 C21 24.80(12) . .
C24 K5 C21 45.19(12) . .
O1WA K5 C40 103.6(2) . 3_665
O3W K5 C40 81.1(3) . 3_665
O15 K5 C40 123.47(15) . 3_665
O14 K5 C40 163.70(15) . 3_665
O7 K5 C40 41.99(12) 3_665 3_665
C20 K5 C40 135.01(15) . 3_665
C24 K5 C40 141.13(15) . 3_665
C21 K5 C40 110.23(14) . 3_665
O1WA K5 C39 115.9(2) . 3_665
O3W K5 C39 104.3(3) . 3_665
O15 K5 C39 106.79(14) . 3_665
O14 K5 C39 172.52(15) . 3_665
O7 K5 C39 54.71(11) 3_665 3_665
C20 K5 C39 111.88(14) . 3_665
C24 K5 C39 119.70(14) . 3_665
C21 K5 C39 87.29(13) . 3_665
C40 K5 C39 23.51(10) 3_665 3_665
O1WA K5 K7 101.5(2) . .
O3W K5 K7 84.3(3) . .
O15 K5 K7 51.43(14) . .
O14 K5 K7 44.25(12) . .
O7 K5 K7 90.49(16) 3_665 .
C20 K5 K7 80.61(14) . .
C24 K5 K7 56.13(13) . .
C21 K5 K7 101.31(15) . .
C40 K5 K7 132.46(16) 3_665 .
C39 K5 K7 138.12(15) 3_665 .
O1WA K5 K2 96.8(2) . 4_465
O3W K5 K2 47.9(3) . 4_465
O15 K5 K2 95.89(13) . 4_465
O14 K5 K2 87.61(11) . 4_465
O7 K5 K2 45.26(9) 3_665 4_465
C20 K5 K2 136.86(13) . 4_465
C24 K5 K2 110.35(13) . 4_465
C21 K5 K2 152.13(14) . 4_465
C40 K5 K2 80.88(10) 3_665 4_465
C39 K5 K2 99.09(10) 3_665 4_465
K7 K5 K2 56.48(11) . 4_465
O9 K7 O14 140.0(3) 3_565 .
O9 K7 O4W 80.1(6) 3_565 .
O14 K7 O4W 137.8(6) . .
O9 K7 O6 100.2(2) 3_565 4_465
O14 K7 O6 98.5(2) . 4_465
O4W K7 O6 81.5(6) . 4_465
O9 K7 O15 92.4(2) 3_565 .
O14 K7 O15 70.25(16) . .
O4W K7 O15 102.6(7) . .
O6 K7 O15 167.3(2) 4_465 .
O9 K7 O5 79.6(2) 3_565 4_465
O14 K7 O5 91.2(2) . 4_465
O4W K7 O5 114.0(7) . 4_465
O6 K7 O5 42.55(12) 4_465 4_465
O15 K7 O5 140.3(2) . 4_465
O9 K7 C23 159.7(3) 3_565 .
O14 K7 C23 21.39(12) . .
O4W K7 C23 116.5(6) . .
O6 K7 C23 94.04(18) 4_465 .
O15 K7 C23 73.29(15) . .
O5 K7 C23 102.04(19) 4_465 .
O9 K7 C24 114.9(2) 3_565 .
O14 K7 C24 55.23(14) . .
O4W K7 C24 102.3(7) . .
O6 K7 C24 144.8(2) 4_465 .
O15 K7 C24 22.80(11) . .
O5 K7 C24 143.0(2) 4_465 .
C23 K7 C24 52.56(13) . .
O9 K7 C47 85.4(2) 3_565 4_465
O14 K7 C47 100.3(2) . 4_465
O4W K7 C47 94.7(7) . 4_465
O6 K7 C47 21.92(11) 4_465 4_465
O15 K7 C47 161.9(3) . 4_465
O5 K7 C47 21.82(10) 4_465 4_465
C23 K7 C47 103.72(19) . 4_465
C24 K7 C47 155.3(2) . 4_465
O9 K7 O16 126.1(2) 3_565 .
O14 K7 O16 60.93(14) . .
O4W K7 O16 86.1(7) . .
O6 K7 O16 128.9(2) 4_465 .
O15 K7 O16 40.74(12) . .
O5 K7 O16 151.1(2) 4_465 .
C23 K7 O16 49.14(12) . .
C24 K7 O16 21.42(11) . .
C47 K7 O16 147.9(2) 4_465 .
O9 K7 O13 178.0(3) 3_565 .
O14 K7 O13 40.58(12) . .
O4W K7 O13 99.9(6) . .
O6 K7 O13 77.78(15) 4_465 .
O15 K7 O13 89.59(15) . .
O5 K7 O13 98.57(17) 4_465 .
C23 K7 O13 21.44(10) . .
C24 K7 O13 67.05(14) . .
C47 K7 O13 92.60(16) 4_465 .
O16 K7 O13 55.85(12) . .
O9 K7 C26 11.97(13) 3_565 3_565
O14 K7 C26 148.0(2) . 3_565
O4W K7 C26 69.4(6) . 3_565
O6 K7 C26 103.20(18) 4_465 3_565
O15 K7 C26 89.52(17) . 3_565
O5 K7 C26 89.22(17) 4_465 3_565
C23 K7 C26 162.6(2) . 3_565
C24 K7 C26 110.94(19) . 3_565
C47 K7 C26 91.70(16) 4_465 3_565
O16 K7 C26 118.2(2) . 3_565
O13 K7 C26 168.8(2) . 3_565
O2W K8 O6 130.6(6) 4_566 .
O2W K8 O1 116.7(6) 4_566 4_566
O6 K8 O1 102.4(2) . 4_566
O2W K8 O4W 133.5(8) 4_566 4_666
O6 K8 O4W 76.5(4) . 4_666
O1 K8 O4W 84.3(5) 4_566 4_666
O2W K8 C5 77.9(6) 4_566 4_566
O6 K8 C5 151.5(2) . 4_566
O1 K8 C5 57.59(14) 4_566 4_566
O4W K8 C5 81.1(4) 4_666 4_566
O2W K8 C4 97.1(6) 4_566 4_566
O6 K8 C4 129.94(19) . 4_566
O1 K8 C4 58.39(15) 4_566 4_566
O4W K8 C4 57.2(4) 4_666 4_566
C5 K8 C4 23.91(11) 4_566 4_566
O2W K8 C40 80.0(6) 4_566 .
O6 K8 C40 57.44(14) . .
O1 K8 C40 111.3(3) 4_566 .
O4W K8 C40 133.2(4) 4_666 .
C5 K8 C40 145.1(2) 4_566 .
C4 K8 C40 166.9(3) 4_566 .
O2W K8 K7 156.7(7) 4_566 4_666
O6 K8 K7 39.64(13) . 4_666
O1 K8 K7 86.12(17) 4_566 4_666
O4W K8 K7 38.3(4) 4_666 4_666
C5 K8 K7 113.75(17) 4_566 4_666
C4 K8 K7 90.65(16) 4_566 4_666
C40 K8 K7 96.98(15) . 4_666
O2W K8 K9 124.9(7) 4_566 2_655
O6 K8 K9 71.61(17) . 2_655
O1 K8 K9 37.70(13) 4_566 2_655
O4W K8 K9 97.6(5) 4_666 2_655
C5 K8 K9 94.49(16) 4_566 2_655
C4 K8 K9 95.08(15) 4_566 2_655
C40 K8 K9 76.58(15) . 2_655
K7 K8 K9 75.93(12) 4_666 2_655
K5A K2A O3W 60.6(5) 4_666 4_666
K5A K2A O5 118.0(6) 4_666 .
O3W K2A O5 96.1(4) 4_666 .
K5A K2A O7 58.7(4) 4_666 2_745
O3W K2A O7 83.9(4) 4_666 2_745
O5 K2A O7 176.1(5) . 2_745
K5A K2A O9 89.7(5) 4_666 2_645
O3W K2A O9 148.2(5) 4_666 2_645
O5 K2A O9 87.7(3) . 2_645
O7 K2A O9 90.3(3) 2_745 2_645
K5A K2A O4 157.7(5) 4_666 .
O3W K2A O4 99.4(4) 4_666 .
O5 K2A O4 71.0(2) . .
O7 K2A O4 112.8(4) 2_745 .
O9 K2A O4 111.7(4) 2_645 .
K5A K2A C48 66.8(4) 4_666 2_745
O3W K2A C48 74.0(3) 4_666 2_745
O5 K2A C48 165.5(4) . 2_745
O7 K2A C48 17.43(18) 2_745 2_745
O9 K2A C48 106.3(3) 2_645 2_745
O4 K2A C48 99.8(3) . 2_745
K5A K2A K3 123.3(5) 4_666 3_665
O3W K2A K3 67.4(3) 4_666 3_665
O5 K2A K3 46.84(17) . 3_665
O7 K2A K3 136.1(3) 2_745 3_665
O9 K2A K3 131.3(3) 2_645 3_665
O4 K2A K3 46.08(14) . 3_665
C48 K2A K3 118.7(3) 2_745 3_665
K5A K2A K7A 66.0(4) 4_666 4_666
O3W K2A K7A 107.4(4) 4_666 4_666
O5 K2A K7A 69.6(2) . 4_666
O7 K2A K7A 106.7(3) 2_745 4_666
O9 K2A K7A 44.72(17) 2_645 4_666
O4 K2A K7A 134.0(3) . 4_666
C48 K2A K7A 123.0(3) 2_745 4_666
K3 K2A K7A 113.1(2) 3_665 4_666
K5A K2A K1 90.6(4) 4_666 3_655
O3W K2A K1 122.3(4) 4_666 3_655
O5 K2A K1 140.7(4) . 3_655
O7 K2A K1 40.24(17) 2_745 3_655
O9 K2A K1 64.7(2) 2_645 3_655
O4 K2A K1 93.0(3) . 3_655
C48 K2A K1 48.30(14) 2_745 3_655
K3 K2A K1 137.9(3) 3_665 3_655
K7A K2A K1 102.8(2) 4_666 3_655
K5A K2A K6 113.9(5) 4_666 1_655
O3W K2A K6 71.8(4) 4_666 1_655
O5 K2A K6 109.7(3) . 1_655
O7 K2A K6 74.0(2) 2_745 1_655
O9 K2A K6 136.3(4) 2_645 1_655
O4 K2A K6 45.83(15) . 1_655
C48 K2A K6 57.59(17) 2_745 1_655
K3 K2A K6 65.99(16) 3_665 1_655
K7A K2A K6 178.9(3) 4_666 1_655
K1 K2A K6 78.23(17) 3_655 1_655
K5A K2A K1 79.0(5) 4_666 4_666
O3W K2A K1 65.8(4) 4_666 4_666
O5 K2A K1 40.80(18) . 4_666
O7 K2A K1 136.5(4) 2_745 4_666
O9 K2A K1 99.4(3) 2_645 4_666
O4 K2A K1 102.6(2) . 4_666
C48 K2A K1 136.4(3) 2_745 4_666
K3 K2A K1 59.84(14) 3_665 4_666
K7A K2A K1 58.74(14) 4_666 4_666
K1 K2A K1 161.3(3) 3_655 4_666
K6 K2A K1 120.2(2) 1_655 4_666
K2A K5A O3W 62.3(5) 4_465 .
K2A K5A O7 70.4(4) 4_465 3_665
O3W K5A O7 90.6(6) . 3_665
K2A K5A O15 125.7(6) 4_465 .
O3W K5A O15 158.1(7) . .
O7 K5A O15 111.1(6) 3_665 .
K2A K5A O14 104.9(5) 4_465 .
O3W K5A O14 89.8(5) . .
O7 K5A O14 174.4(5) 3_665 .
O15 K5A O14 68.7(3) . .
K2A K5A O1WC 109.7(7) 4_465 .
O3W K5A O1WC 48.8(5) . .
O7 K5A O1WC 96.3(5) 3_665 .
O15 K5A O1WC 123.4(5) . .
O14 K5A O1WC 88.3(4) . .
K2A K5A C48 76.2(4) 4_465 3_665
O3W K5A C48 78.6(5) . 3_665
O7 K5A C48 17.64(19) 3_665 3_665
O15 K5A C48 122.1(5) . 3_665
O14 K5A C48 166.3(5) . 3_665
O1WC K5A C48 78.7(4) . 3_665
K2A K5A C24 132.9(6) 4_465 .
O3W K5A C24 138.6(6) . .
O7 K5A C24 129.7(6) 3_665 .
O15 K5A C24 19.85(14) . .
O14 K5A C24 51.1(3) . .
O1WC K5A C24 109.0(4) . .
C48 K5A C24 137.5(5) 3_665 .
K2A K5A K7A 80.9(4) 4_465 .
O3W K5A K7A 118.3(5) . .
O7 K5A K7A 122.7(4) 3_665 .
O15 K5A K7A 51.6(2) . .
O14 K5A K7A 52.4(2) . .
O1WC K5A K7A 140.5(5) . .
C48 K5A K7A 140.1(4) 3_665 .
C24 K5A K7A 52.1(2) . .
K2A K5A K3 99.5(5) 4_465 .
O3W K5A K3 159.2(5) . .
O7 K5A K3 72.8(4) 3_665 .
O15 K5A K3 41.0(2) . .
O14 K5A K3 105.5(4) . .
O1WC K5A K3 143.4(5) . .
C48 K5A K3 87.6(3) 3_665 .
C24 K5A K3 60.8(3) . .
K7A K5A K3 64.3(2) . .
K2A K5A K1 72.3(4) 4_465 .
O3W K5A K1 63.0(4) . .
O7 K5A K1 141.4(5) 3_665 .
O15 K5A K1 98.5(4) . .
O14 K5A K1 35.22(18) . .
O1WC K5A K1 87.0(4) . .
C48 K5A K1 138.4(4) 3_665 .
C24 K5A K1 84.1(3) . .
K7A K5A K1 59.3(2) . .
K3 K5A K1 123.6(3) . .
K2A K5A K1 61.3(4) 4_465 2_554
O3W K5A K1 104.4(5) . 2_554
O7 K5A K1 25.2(2) 3_665 2_554
O15 K5A K1 96.6(3) . 2_554
O14 K5A K1 149.7(4) . 2_554
O1WC K5A K1 121.3(5) . 2_554
C48 K5A K1 42.71(17) 3_665 2_554
C24 K5A K1 116.4(4) . 2_554
K7A K5A K1 97.5(2) . 2_554
K3 K5A K1 55.58(17) . 2_554
K1 K5A K1 131.2(2) . 2_554
O4W K7A O9 85.0(7) . 3_565
O4W K7A O15 124.8(8) . .
O9 K7A O15 85.11(12) 3_565 .
O4W K7A O16 113.9(8) . .
O9 K7A O16 128.78(13) 3_565 .
O15 K7A O16 44.42(10) . .
O4W K7A O14 164.1(7) . .
O9 K7A O14 109.39(12) 3_565 .
O15 K7A O14 65.05(11) . .
O16 K7A O14 62.76(10) . .
O4W K7A O6 88.6(8) . 4_465
O9 K7A O6 87.12(12) 3_565 4_465
O15 K7A O6 144.72(13) . 4_465
O16 K7A O6 137.15(11) . 4_465
O14 K7A O6 85.48(10) . 4_465
O4W K7A O12 49.7(8) . 3_565
O9 K7A O12 63.30(12) 3_565 3_565
O15 K7A O12 77.64(12) . 3_565
O16 K7A O12 92.37(11) . 3_565
O14 K7A O12 142.62(12) . 3_565
O6 K7A O12 128.13(11) 4_465 3_565
O4W K7A C24 129.0(9) . .
O9 K7A C24 108.60(13) 3_565 .
O15 K7A C24 23.82(11) . .
O16 K7A C24 23.04(11) . .
O14 K7A C24 53.97(11) . .
O6 K7A C24 139.21(11) 4_465 .
O12 K7A C24 91.99(12) 3_565 .
O4W K7A O3 49.8(8) . 1_455
O9 K7A O3 128.04(12) 3_565 1_455
O15 K7A O3 99.82(13) . 1_455
O16 K7A O3 67.22(11) . 1_455
O14 K7A O3 119.58(11) . 1_455
O6 K7A O3 111.91(12) 4_465 1_455
O12 K7A O3 67.40(13) 3_565 1_455
C24 K7A O3 88.13(13) . 1_455
O4W K7A O13 123.2(7) . .
O9 K7A O13 146.23(12) 3_565 .
O15 K7A O13 91.41(9) . .
O16 K7A O13 60.62(9) . .
O14 K7A O13 40.92(9) . .
O6 K7A O13 76.53(9) 4_465 .
O12 K7A O13 148.26(11) 3_565 .
C24 K7A O13 69.77(10) . .
O3 K7A O13 85.68(11) 1_455 .
O4W K7A C23 143.0(7) . .
O9 K7A C23 131.58(13) 3_565 .
O15 K7A C23 71.88(10) . .
O16 K7A C23 51.49(10) . .
O14 K7A C23 22.20(10) . .
O6 K7A C23 88.26(10) 4_465 .
O12 K7A C23 143.41(12) 3_565 .
C24 K7A C23 52.86(11) . .
O3 K7A C23 98.13(12) 1_455 .
O13 K7A C23 21.69(9) . .
O4W K7A K5A 147.0(8) . .
O9 K7A K5A 63.1(2) 3_565 .
O15 K7A K5A 48.6(2) . .
O16 K7A K5A 82.9(2) . .
O14 K7A K5A 48.8(2) . .
O6 K7A K5A 97.7(2) 4_465 .
O12 K7A K5A 104.1(2) 3_565 .
C24 K7A K5A 60.7(2) . .
O3 K7A K5A 148.0(2) 1_455 .
O13 K7A K5A 89.7(2) . .
C23 K7A K5A 69.9(2) . .
O2W K8A K8B 97.3(14) 4_566 .
O2W K8A C40 111.9(13) 4_566 .
K8B K8A C40 102.9(4) . .
O2W K8A O1 144.3(13) 4_566 4_566
K8B K8A O1 88.4(4) . 4_566
C40 K8A O1 101.0(2) . 4_566
O2W K8A C41 98.1(13) 4_566 .
K8B K8A C41 124.7(4) . .
C40 K8A C41 23.43(13) . .
O1 K8A C41 107.5(3) 4_566 .
O2W K8A C5 94.6(13) 4_566 4_566
K8B K8A C5 78.1(4) . 4_566
C40 K8A C5 153.0(3) . 4_566
O1 K8A C5 52.02(15) 4_566 4_566
C41 K8A C5 151.9(3) . 4_566
O2W K8A C3 104.3(13) 4_566 4_566
K8B K8A C3 98.1(4) . 4_566
C40 K8A C3 135.0(3) . 4_566
O1 K8A C3 40.05(14) 4_566 4_566
C41 K8A C3 128.3(3) . 4_566
C5 K8A C3 23.54(11) 4_566 4_566
O2W K8A C39 99.9(13) 4_566 .
K8B K8A C39 84.2(3) . .
C40 K8A C39 23.94(11) . .
O1 K8A C39 115.7(2) 4_566 .
C41 K8A C39 40.81(14) . .
C5 K8A C39 158.4(3) 4_566 .
C3 K8A C39 155.1(3) 4_566 .
K8A K8B O4W 120.2(8) . 4_666
K8A K8B O2W 25.3(6) . 4_566
O4W K8B O2W 141.1(9) 4_666 4_566
K8A K8B O6 78.1(3) . .
O4W K8B O6 74.4(6) 4_666 .
O2W K8B O6 98.9(6) 4_566 .
K8A K8B C6 100.9(4) . 4_566
O4W K8B C6 59.1(6) 4_666 4_566
O2W K8B C6 100.1(6) 4_566 4_566
O6 K8B C6 125.5(5) . 4_566
K8A K8B K7A 110.6(4) . 4_666
O4W K8B K7A 25.8(5) 4_666 4_666
O2W K8B K7A 135.8(6) 4_566 4_666
O6 K8B K7A 49.0(2) . 4_666
C6 K8B K7A 83.5(3) 4_566 4_666
O5WA O1WC K5A 112.4(12) . .
O1WB O5WA O1WC 123.7(19) . .
O15 K3 O5 119.83(12) . 3_665
O15 K3 O4 99.33(14) . 3_665
O5 K3 O4 80.21(14) 3_665 3_665
O15 K3 O10 124.46(14) . 3_565
O5 K3 O10 84.61(11) 3_665 3_565
O4 K3 O10 135.35(13) 3_665 3_565
O15 K3 O11 125.64(17) . 3_565
O5 K3 O11 113.78(16) 3_665 3_565
O4 K3 O11 80.92(13) 3_665 3_565
O10 K3 O11 67.40(12) 3_565 3_565
O15 K3 O12 86.54(13) . 3_565
O5 K3 O12 150.12(11) 3_665 3_565
O4 K3 O12 111.09(15) 3_665 3_565
O10 K3 O12 67.81(11) 3_565 3_565
O11 K3 O12 45.74(17) 3_565 3_565
O15 K3 C25 109.90(17) . 3_565
O5 K3 C25 129.35(16) 3_665 3_565
O4 K3 C25 101.56(16) 3_665 3_565
O10 K3 C25 58.49(12) 3_565 3_565
O11 K3 C25 23.93(17) 3_565 3_565
O12 K3 C25 23.84(17) 3_565 3_565
O15 K3 C26 103.29(14) . 3_565
O5 K3 C26 102.96(12) 3_665 3_565
O4 K3 C26 151.39(13) 3_665 3_565
O10 K3 C26 22.51(13) 3_565 3_565
O11 K3 C26 71.74(12) 3_565 3_565
O12 K3 C26 53.81(12) 3_565 3_565
C25 K3 C26 54.19(13) 3_565 3_565
O15 K3 O9 82.66(12) . 3_565
O5 K3 O9 107.57(11) 3_665 3_565
O4 K3 O9 169.82(14) 3_665 3_565
O10 K3 O9 41.80(12) 3_565 3_565
O11 K3 O9 89.80(11) 3_565 3_565
O12 K3 O9 58.92(12) 3_565 3_565
C25 K3 O9 68.51(13) 3_565 3_565
C26 K3 O9 21.95(11) 3_565 3_565
O15 K3 C2 82.20(13) . 3_665
O5 K3 C2 98.37(13) 3_665 3_665
O4 K3 C2 20.45(14) 3_665 3_665
O10 K3 C2 147.39(13) 3_565 3_665
O11 K3 C2 81.98(13) 3_565 3_665
O12 K3 C2 99.02(14) 3_565 3_665
C25 K3 C2 97.10(14) 3_565 3_665
C26 K3 C2 151.12(14) 3_565 3_665
O9 K3 C2 153.92(14) 3_565 3_665
O15 K3 K2A 154.17(19) . 3_665
O5 K3 K2A 45.50(15) 3_665 3_665
O4 K3 K2A 60.4(2) 3_665 3_665
O10 K3 K2A 79.1(2) 3_565 3_665
O11 K3 K2A 70.16(19) 3_565 3_665
O12 K3 K2A 114.74(17) 3_565 3_665
C25 K3 K2A 91.0(2) 3_565 3_665
C26 K3 K2A 101.3(2) 3_565 3_665
O9 K3 K2A 120.2(2) 3_565 3_665
C2 K3 K2A 80.2(2) 3_665 3_665
O15 K3 K2 143.04(10) . 3_665
O5 K3 K2 48.14(8) 3_665 3_665
O4 K3 K2 48.20(11) 3_665 3_665
O10 K3 K2 91.41(10) 3_565 3_665
O11 K3 K2 72.92(13) 3_565 3_665
O12 K3 K2 118.66(11) 3_565 3_665
C25 K3 K2 95.73(15) 3_565 3_665
C26 K3 K2 113.35(11) 3_565 3_665
O9 K3 K2 132.68(9) 3_565 3_665
C2 K3 K2 68.21(10) 3_665 3_665
K2A K3 K2 12.45(16) 3_665 3_665
O3 K4 O3 180.0 3_665 1_455
O3 K4 O12 77.67(17) 3_665 .
O3 K4 O12 102.33(17) 1_455 .
O3 K4 O12 102.33(17) 3_665 3_565
O3 K4 O12 77.67(17) 1_455 3_565
O12 K4 O12 180.0 . 3_565
O3 K4 O16 104.17(14) 3_665 .
O3 K4 O16 75.83(14) 1_455 .
O12 K4 O16 82.34(12) . .
O12 K4 O16 97.66(12) 3_565 .
O3 K4 O16 75.83(14) 3_665 3_565
O3 K4 O16 104.17(14) 1_455 3_565
O12 K4 O16 97.66(12) . 3_565
O12 K4 O16 82.34(12) 3_565 3_565
O16 K4 O16 180.00(14) . 3_565
O3 K4 C24 88.04(16) 3_665 .
O3 K4 C24 91.96(16) 1_455 .
O12 K4 C24 90.45(11) . .
O12 K4 C24 89.55(11) 3_565 .
O16 K4 C24 20.15(10) . .
O16 K4 C24 159.85(10) 3_565 .
O3 K4 C24 91.96(16) 3_665 3_565
O3 K4 C24 88.04(16) 1_455 3_565
O12 K4 C24 89.55(11) . 3_565
O12 K4 C24 90.45(11) 3_565 3_565
O16 K4 C24 159.85(10) . 3_565
O16 K4 C24 20.15(10) 3_565 3_565
C24 K4 C24 180.00(9) . 3_565
O3 K4 K7A 124.62(17) 3_665 .
O3 K4 K7A 55.38(17) 1_455 .
O12 K4 K7A 128.91(11) . .
O12 K4 K7A 51.09(11) 3_565 .
O16 K4 K7A 49.62(8) . .
O16 K4 K7A 130.38(8) 3_565 .
C24 K4 K7A 51.17(8) . .
C24 K4 K7A 128.83(8) 3_565 .
O3 K4 K7A 55.38(17) 3_665 3_565
O3 K4 K7A 124.62(17) 1_455 3_565
O12 K4 K7A 51.09(11) . 3_565
O12 K4 K7A 128.91(11) 3_565 3_565
O16 K4 K7A 130.38(8) . 3_565
O16 K4 K7A 49.62(8) 3_565 3_565
C24 K4 K7A 128.83(8) . 3_565
C24 K4 K7A 51.17(8) 3_565 3_565
K7A K4 K7A 180.00(7) . 3_565
O3 K4 K3 64.78(16) 3_665 .
O3 K4 K3 115.22(16) 1_455 .
O12 K4 K3 132.17(10) . .
O12 K4 K3 47.83(10) 3_565 .
O16 K4 K3 79.47(7) . .
O16 K4 K3 100.53(7) 3_565 .
C24 K4 K3 61.03(8) . .
C24 K4 K3 118.97(8) 3_565 .
K7A K4 K3 62.92(4) . .
K7A K4 K3 117.08(4) 3_565 .
O3 K4 K3 115.22(16) 3_665 3_565
O3 K4 K3 64.78(16) 1_455 3_565
O12 K4 K3 47.83(10) . 3_565
O12 K4 K3 132.17(10) 3_565 3_565
O16 K4 K3 100.53(7) . 3_565
O16 K4 K3 79.47(7) 3_565 3_565
C24 K4 K3 118.97(8) . 3_565
C24 K4 K3 61.03(8) 3_565 3_565
K7A K4 K3 117.08(4) . 3_565
K7A K4 K3 62.92(4) 3_565 3_565
K3 K4 K3 180.00(3) . 3_565
O11 K6 O13 137.28(13) . .
O11 K6 O3 91.1(2) . 1_455
O13 K6 O3 107.46(18) . 1_455
O11 K6 O16 77.88(16) . .
O13 K6 O16 70.46(10) . .
O3 K6 O16 75.62(12) 1_455 .
O11 K6 O8 102.54(19) . 2_645
O13 K6 O8 81.41(17) . 2_645
O3 K6 O8 148.63(14) 1_455 2_645
O16 K6 O8 134.56(15) . 2_645
O11 K6 O4 81.04(12) . 1_455
O13 K6 O4 138.39(10) . 1_455
O3 K6 O4 44.33(16) 1_455 1_455
O16 K6 O4 115.24(12) . 1_455
O8 K6 O4 109.57(17) 2_645 1_455
O11 K6 O1 141.00(13) . 1_455
O13 K6 O1 81.26(11) . 1_455
O3 K6 O1 65.92(15) 1_455 1_455
O16 K6 O1 121.87(13) . 1_455
O8 K6 O1 86.57(13) 2_645 1_455
O4 K6 O1 60.35(12) 1_455 1_455
O11 K6 C2 94.25(16) . 1_455
O13 K6 C2 117.36(16) . 1_455
O3 K6 C2 22.06(15) 1_455 1_455
O16 K6 C2 97.63(14) . 1_455
O8 K6 C2 127.26(16) 2_645 1_455
O4 K6 C2 25.16(17) 1_455 1_455
O1 K6 C2 52.84(13) 1_455 1_455
O11 K6 C23 117.88(13) . .
O13 K6 C23 20.39(10) . .
O3 K6 C23 106.67(17) 1_455 .
O16 K6 C23 52.13(10) . .
O8 K6 C23 91.84(17) 2_645 .
O4 K6 C23 148.22(12) 1_455 .
O1 K6 C23 99.33(12) 1_455 .
C2 K6 C23 123.26(17) 1_455 .
O11 K6 K9 153.89(15) . .
O13 K6 K9 47.97(7) . .
O3 K6 K9 112.29(14) 1_455 .
O16 K6 K9 117.96(8) . .
O8 K6 K9 51.39(13) 2_645 .
O4 K6 K9 107.17(9) 1_455 .
O1 K6 K9 50.53(8) 1_455 .
C2 K6 K9 103.27(11) 1_455 .
C23 K6 K9 67.78(7) . .
O11 K6 K2 73.37(14) . 1_455
O13 K6 K2 141.84(8) . 1_455
O3 K6 K2 90.32(14) 1_455 1_455
O16 K6 K2 147.68(8) . 1_455
O8 K6 K2 67.43(15) 2_645 1_455
O4 K6 K2 46.05(10) 1_455 1_455
O1 K6 K2 75.62(11) 1_455 1_455
C2 K6 K2 70.46(15) 1_455 1_455
C23 K6 K2 158.73(9) . 1_455
K9 K6 K2 94.24(4) . 1_455
O11 K6 K7A 118.46(16) . .
O13 K6 K7A 56.06(8) . .
O3 K6 K7A 53.35(15) 1_455 .
O16 K6 K7A 48.26(8) . .
O8 K6 K7A 134.85(15) 2_645 .
O4 K6 K7A 95.45(10) 1_455 .
O1 K6 K7A 73.71(11) 1_455 .
C2 K6 K7A 70.32(15) 1_455 .
C23 K6 K7A 53.61(8) . .
K9 K6 K7A 85.99(3) . .
K2 K6 K7A 139.71(5) 1_455 .
O13 K9 O13 180.00(17) 3 .
O13 K9 O8 81.15(12) 3 4_465
O13 K9 O8 98.85(12) . 4_465
O13 K9 O8 98.85(12) 3 2_645
O13 K9 O8 81.15(12) . 2_645
O8 K9 O8 180.0 4_465 2_645
O13 K9 O1 84.62(12) 3 3_655
O13 K9 O1 95.38(12) . 3_655
O8 K9 O1 89.47(17) 4_465 3_655
O8 K9 O1 90.53(17) 2_645 3_655
O13 K9 O1 95.38(12) 3 1_455
O13 K9 O1 84.62(12) . 1_455
O8 K9 O1 90.53(17) 4_465 1_455
O8 K9 O1 89.47(17) 2_645 1_455
O1 K9 O1 180.0 3_655 1_455
O13 K9 K6 131.86(7) 3 .
O13 K9 K6 48.14(7) . .
O8 K9 K6 129.13(11) 4_465 .
O8 K9 K6 50.87(11) 2_645 .
O1 K9 K6 125.16(9) 3_655 .
O1 K9 K6 54.84(9) 1_455 .
O13 K9 K6 48.14(7) 3 3
O13 K9 K6 131.86(7) . 3
O8 K9 K6 50.87(11) 4_465 3
O8 K9 K6 129.13(11) 2_645 3
O1 K9 K6 54.84(9) 3_655 3
O1 K9 K6 125.16(9) 1_455 3
K6 K9 K6 180.00(3) . 3
O13 K9 K1 131.92(7) 3 .
O13 K9 K1 48.08(7) . .
O8 K9 K1 54.30(11) 4_465 .
O8 K9 K1 125.70(11) 2_645 .
O1 K9 K1 78.50(11) 3_655 .
O1 K9 K1 101.50(11) 1_455 .
K6 K9 K1 93.67(2) . .
K6 K9 K1 86.33(2) 3 .
O13 K9 K1 48.08(7) 3 3
O13 K9 K1 131.92(7) . 3
O8 K9 K1 125.70(11) 4_465 3
O8 K9 K1 54.30(11) 2_645 3
O1 K9 K1 101.50(11) 3_655 3
O1 K9 K1 78.50(11) 1_455 3
K6 K9 K1 86.33(2) . 3
K6 K9 K1 93.67(2) 3 3
K1 K9 K1 180.00(4) . 3
O13 K9 K8 80.68(10) 3 2_645
O13 K9 K8 99.32(10) . 2_645
O8 K9 K8 122.64(15) 4_465 2_645
O8 K9 K8 57.36(15) 2_645 2_645
O1 K9 K8 34.97(12) 3_655 2_645
O1 K9 K8 145.03(12) 1_455 2_645
K6 K9 K8 102.70(7) . 2_645
K6 K9 K8 77.30(7) 3 2_645
K1 K9 K8 106.85(6) . 2_645
K1 K9 K8 73.15(6) 3 2_645
O13 K9 K8 99.32(10) 3 4_465
O13 K9 K8 80.68(10) . 4_465
O8 K9 K8 57.36(15) 4_465 4_465
O8 K9 K8 122.64(15) 2_645 4_465
O1 K9 K8 145.03(12) 3_655 4_465
O1 K9 K8 34.97(12) 1_455 4_465
K6 K9 K8 77.30(7) . 4_465
K6 K9 K8 102.70(7) 3 4_465
K1 K9 K8 73.15(6) . 4_465
K1 K9 K8 106.85(6) 3 4_465
K8 K9 K8 180.00(15) 2_645 4_465
K7A O4W K8B 119.8(12) . 4_465
K7A O4W K7 14.1(3) . .
K8B O4W K7 109.6(10) 4_465 .
K7A O4W K8 99.1(10) . 4_465
K8B O4W K8 36.3(5) 4_465 4_465
K7 O4W K8 95.9(8) . 4_465
K8A O2W K8 20.1(8) 4_565 4_565
K8A O2W K8B 57.4(11) 4_565 4_565
K8 O2W K8B 37.5(5) 4_565 4_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.203(7) .
C1 O1 1.269(8) .
C1 C3 1.514(6) .
C1 K2 3.443(6) .
C2 O3 1.165(8) .
C2 O4 1.324(9) .
C2 C4 1.503(6) .
C2 K6 3.089(6) 1_655
C2 K3 3.474(7) 3_665
C3 C12 1.363(7) .
C3 C5 1.427(6) .
C3 K8A 3.509(9) 4_565
C4 C6 1.370(7) .
C4 C5 1.436(6) .
C4 K8 3.504(6) 4_565
C5 C9 1.430(5) .
C5 K8 3.414(6) 4_565
C5 K8A 3.488(9) 4_565
C6 C7 1.402(6) .
C6 K8B 3.456(14) 4_565
C7 C8 1.381(6) .
C8 C9 1.439(6) .
C8 C13 1.473(5) .
C9 C10 1.429(6) .
C10 C11 1.381(6) .
C10 C14 1.472(5) .
C11 C12 1.394(6) .
C13 C22 1.372(6) .
C13 C15 1.431(5) .
C14 C16 1.381(6) .
C14 C15 1.430(5) .
C15 C19 1.431(5) .
C16 C17 1.395(6) .
C17 C18 1.365(6) .
C18 C19 1.426(6) .
C18 C23 1.515(5) .
C19 C20 1.426(6) .
C20 C21 1.364(6) .
C20 C24 1.511(5) .
C20 K5 3.077(5) .
C21 C22 1.396(6) .
C21 K5 3.234(6) .
C23 O13 1.243(5) .
C23 O14 1.257(6) .
C23 K1 3.048(4) .
C23 K7 3.233(7) .
C23 K7A 3.316(5) .
C23 K6 3.345(4) .
C24 O16 1.231(6) .
C24 O15 1.270(6) .
C24 K7A 3.143(4) .
C24 K5 3.213(6) .
C24 K7 3.268(7) .
C24 K4 3.422(4) .
C24 K5A 3.475(15) .
C25 O12 1.247(9) .
C25 O11 1.251(9) .
C25 C27 1.523(6) .
C25 K3 3.083(5) 3_565
C26 O9 1.240(6) .
C26 O10 1.254(7) .
C26 C33 1.505(6) .
C26 K3 3.240(5) 3_565
C26 K7 3.513(7) 3_565
C26 K2 3.521(5) 2_655
C27 C28 1.368(7) .
C27 C32 1.422(6) .
C28 C29 1.396(6) .
C29 C30 1.387(6) .
C30 C31 1.426(6) .
C30 C43 1.480(5) .
C31 C36 1.422(6) .
C31 C32 1.436(5) .
C32 C33 1.431(6) .
C33 C34 1.376(7) .
C34 C35 1.384(6) .
C35 C36 1.385(6) .
C36 C37 1.474(5) .
C37 C42 1.386(6) .
C37 C38 1.427(6) .
C38 C39 1.435(5) .
C38 C43 1.436(6) .
C39 C40 1.431(6) .
C39 C46 1.433(6) .
C39 K8A 3.514(9) .
C39 K5 3.535(5) 3_665
C40 C41 1.372(7) .
C40 C48 1.507(6) .
C40 K8A 3.333(10) .
C40 K5 3.487(6) 3_665
C40 K8 3.539(7) .
C41 C42 1.387(6) .
C41 K8A 3.412(10) .
C43 C44 1.377(6) .
C44 C45 1.401(6) .
C45 C46 1.377(6) .
C46 C47 1.515(5) .
C47 O5 1.235(5) .
C47 O6 1.268(5) .
C47 K1 3.061(4) 4_666
C47 K7 3.297(7) 4_666
C48 O8 1.208(9) .
C48 O7 1.279(9) .
C48 K1 3.159(5) 4_666
C48 K5A 3.349(16) 3_665
C48 K2A 3.540(11) 2_755
O1 K8 2.706(8) 4_565
O1 K9 2.888(4) 1_655
O1 K6 3.058(4) 1_655
O1 K8A 3.378(9) 4_565
O2 K1 2.599(4) 3_655
O2 K2 2.751(5) .
O3 K4 2.638(5) 1_655
O3 K6 2.750(4) 1_655
O3 K7A 3.171(8) 1_655
O4 K3 2.726(4) 3_665
O4 K2 2.744(5) .
O4 K6 2.965(5) 1_655
O4 K2A 3.292(11) .
O5 K2A 2.590(9) .
O5 K3 2.649(3) 3_665
O5 K2 2.734(4) .
O5 K1 2.929(3) 4_666
O5 K7 3.211(7) 4_666
O6 K8 2.615(5) .
O6 K7 2.754(6) 4_666
O6 K1 2.846(3) 4_666
O6 K7A 2.983(4) 4_666
O6 K8B 3.225(11) .
O3W K5A 2.275(18) .
O3W K2A 2.313(16) 4_465
O3W K5 2.631(11) .
O3W K2 2.911(12) 4_465
O7 K5A 2.413(15) 3_665
O7 K2A 2.661(9) 2_755
O7 K1 2.679(4) 4_666
O7 K2 2.788(4) 2_755
O7 K5 2.894(6) 3_665
O8 K6 2.863(5) 2_655
O8 K9 2.884(6) 2_655
O8 K1 3.241(5) 4_666
O9 K7 2.433(7) 3_565
O9 K2 2.649(4) 2_655
O9 K2A 2.695(10) 2_655
O9 K7A 2.797(5) 3_565
O9 K3 3.273(5) 3_565
O10 K1 2.773(4) 4_566
O10 K3 2.811(4) 3_565
O11 K6 2.593(4) .
O11 K3 2.855(4) 3_565
O12 K4 2.819(4) .
O12 K3 2.876(5) 3_565
O12 K7A 2.995(6) 3_565
O13 K9 2.694(3) .
O13 K6 2.702(3) .
O13 K1 2.920(3) .
O13 K7A 3.292(4) .
O13 K7 3.396(6) .
O14 K7 2.576(6) .
O14 K1 2.719(4) .
O14 K5A 2.819(14) .
O14 K5 2.844(5) .
O14 K7A 2.969(4) .
O15 K3 2.527(3) .
O15 K5 2.753(5) .
O15 K5A 2.799(16) .
O15 K7 2.912(6) .
O15 K7A 2.926(4) .
O16 K6 2.768(4) .
O16 K4 2.860(3) .
O16 K7A 2.929(4) .
O16 K7 3.341(7) .
K1 O2 2.599(4) 3_655
K1 O7 2.679(4) 4_465
K1 O10 2.773(4) 4_565
K1 O6 2.846(3) 4_465
K1 O5 2.929(3) 4_465
K1 C47 3.061(4) 4_465
K1 C48 3.159(5) 4_465
K1 O8 3.241(5) 4_465
K1 K7 3.609(6) .
K2 O9 2.649(4) 2_645
K2 O7 2.788(4) 2_745
K2 O3W 2.911(12) 4_666
K2 C26 3.521(5) 2_645
K2 K7 3.602(7) 4_666
K2 K3 3.660(2) 3_665
K2 K1 3.713(2) 3_655
K2 K6 3.7812(19) 1_655
K5 O1WA 2.509(10) .
K5 O7 2.894(6) 3_665
K5 C40 3.487(6) 3_665
K5 C39 3.535(5) 3_665
K5 K7 3.679(7) .
K5 K2 3.921(4) 4_465
K7 O9 2.433(7) 3_565
K7 O4W 2.62(2) .
K7 O6 2.754(6) 4_465
K7 O5 3.211(7) 4_465
K7 C47 3.297(7) 4_465
K7 C26 3.513(7) 3_565
K8 O2W 2.54(3) 4_566
K8 O1 2.706(8) 4_566
K8 O4W 3.03(3) 4_666
K8 C5 3.414(6) 4_566
K8 C4 3.504(6) 4_566
K8 K7 4.205(7) 4_666
K8 K9 4.507(8) 2_655
K2A K5A 2.193(15) 4_666
K2A O3W 2.313(16) 4_666
K2A O7 2.661(9) 2_745
K2A O9 2.695(10) 2_645
K2A C48 3.540(11) 2_745
K2A K3 3.629(9) 3_665
K2A K7A 3.971(10) 4_666
K2A K1 4.086(10) 3_655
K2A K6 4.088(10) 1_655
K2A K1 4.351(10) 4_666
K5A K2A 2.193(15) 4_465
K5A O7 2.413(14) 3_665
K5A O1WC 3.16(2) .
K5A C48 3.349(16) 3_665
K5A K7A 3.674(14) .
K5A K3 3.848(15) .
K5A K1 4.657(12) 2_554
K7A O4W 1.92(2) .
K7A O9 2.797(5) 3_565
K7A O6 2.983(4) 4_465
K7A O12 2.995(6) 3_565
K7A O3 3.171(8) 1_455
K8A O2W 1.26(3) 4_566
K8A K8B 2.488(14) .
K8A O1 3.378(9) 4_566
K8A C5 3.488(9) 4_566
K8A C3 3.509(9) 4_566
K8B O4W 2.50(3) 4_666
K8B O2W 2.93(3) 4_566
K8B C6 3.456(14) 4_566
K8B K7A 3.838(15) 4_666
O1WB O5WA 1.34(3) .
O1WC O5WA 1.44(3) .
K3 O5 2.649(3) 3_665
K3 O4 2.726(4) 3_665
K3 O10 2.811(4) 3_565
K3 O11 2.855(4) 3_565
K3 O12 2.876(5) 3_565
K3 C25 3.083(5) 3_565
K3 C26 3.240(5) 3_565
K3 O9 3.273(5) 3_565
K3 C2 3.474(7) 3_665
K3 K2A 3.629(9) 3_665
K3 K2 3.660(2) 3_665
K4 O3 2.638(5) 3_665
K4 O3 2.638(5) 1_455
K4 O12 2.819(4) 3_565
K4 O16 2.860(3) 3_565
K4 C24 3.422(4) 3_565
K4 K7A 3.811(2) 3_565
K4 K3 3.8692(13) 3_565
K6 O3 2.750(4) 1_455
K6 O8 2.863(5) 2_645
K6 O4 2.965(5) 1_455
K6 O1 3.058(4) 1_455
K6 C2 3.089(6) 1_455
K6 K9 3.6067(15) .
K6 K2 3.7812(19) 1_455
K9 O13 2.694(3) 3
K9 O8 2.884(6) 4_465
K9 O8 2.884(6) 2_645
K9 O1 2.888(4) 3_655
K9 O1 2.888(4) 1_455
K9 K6 3.6067(15) 3
K9 K1 3.9233(13) 3
K9 K8 4.507(8) 2_645
K9 K8 4.507(8) 4_465
O4W K8B 2.50(3) 4_465
O4W K8 3.03(3) 4_465
O2W K8A 1.26(3) 4_565
O2W K8 2.54(3) 4_565
O2W K8B 2.93(3) 4_565
