#------------------------------------------------------------------------------
#$Date: 2019-04-30 01:07:15 +0300 (Tue, 30 Apr 2019) $
#$Revision: 214830 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/33/7123346.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_7123346
loop_
_publ_author_name
'Kabe, Yoshio'
'Kawakami, Yoshiteru'
'Ogishima, Tsuyoshi'
'Kawara, Tomoki'
'Yamauchi, Shota'
'Okamoto, Kazuhiko'
'Nikaido, Singo'
'Souma, Daiki'
'Jin, Ren-hua'
_publ_section_title
;
 Silane catecholates: Versatile tools for self-assembled dynamic covalent
 bond chemistry
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C9CC02103E
_journal_year                    2019
_chemical_formula_sum            'C166 H206 N2 Na6 O56 Si6'
_chemical_formula_weight         3431.81
_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
_audit_update_record
;
2019-01-21 deposited with the CCDC.    2019-04-29 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 101.563(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.998(4)
_cell_length_b                   34.746(6)
_cell_length_c                   24.908(5)
_cell_measurement_reflns_used    36281
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.4816
_cell_measurement_theta_min      3.0480
_cell_volume                     16956(6)
_computing_cell_refinement
'CrystalClear-SM Expert 2.0 r4 (Rigaku, 2009)'
_computing_data_collection
'CrystalClear-SM Expert 2.0 r4 (Rigaku, 2009)'
_computing_data_reduction
'CrystalClear-SM Expert 2.0 r4 (Rigaku, 2009)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1993)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type
;
'Saturn724+ (4x4 bin mode)'
;
_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  0.1104
_diffrn_reflns_av_sigmaI/netI    0.0696
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       44
_diffrn_reflns_limit_k_min       -45
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            188131
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    0.152
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.344
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             7256
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.733
_refine_diff_density_min         -0.622
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2608
_refine_ls_number_reflns         38521
_refine_ls_number_restraints     77
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.1253
_refine_ls_R_factor_gt           0.0964
_refine_ls_shift/su_max          0.408
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1392P)²+16.0682P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2547
_refine_ls_wR_factor_ref         0.2819
_reflns_number_gt                28022
_reflns_number_total             38521
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9cc02103e2.cif
_cod_data_source_block           PhSi6CTC4_6Na_7THF_2DMF_2C6H6_23H2O
_cod_original_cell_volume        16956(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7123346
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 -0.32350(16) 0.90888(10) 0.27836(13) 0.0338(7) Uani 1 1 d . . .
C2 C -0.33324(17) 0.86986(10) 0.28835(13) 0.0368(7) Uani 1 1 d . . .
H2 H -0.3085 0.8513 0.2737 0.044 Uiso 1 1 calc R . .
C3 C -0.37940(16) 0.85878(10) 0.31988(13) 0.0341(7) Uani 1 1 d . . .
C4 C -0.41802(16) 0.88666(10) 0.34089(13) 0.0358(7) Uani 1 1 d . . .
C5 C -0.41044(17) 0.92463(10) 0.33055(13) 0.0363(7) Uani 1 1 d . . .
H5 H -0.4373 0.9428 0.3437 0.044 Uiso 1 1 calc R . .
C6 C -0.36150(16) 0.93666(10) 0.29960(13) 0.0345(7) Uani 1 1 d . . .
C7 C -0.35045(17) 0.97968(10) 0.29441(14) 0.0377(7) Uani 1 1 d . . .
H7A H -0.3940 0.9928 0.2901 0.045 Uiso 1 1 calc R . .
H7B H -0.3321 0.9846 0.2619 0.045 Uiso 1 1 calc R . .
C8 C -0.30183(17) 0.99595(9) 0.34421(13) 0.0346(7) Uani 1 1 d . . .
C9 C -0.33025(17) 1.00427(10) 0.39052(13) 0.0355(7) Uani 1 1 d . . .
H9 H -0.3765 1.0003 0.3892 0.043 Uiso 1 1 calc R . .
C10 C -0.28923(17) 1.01823(10) 0.43739(13) 0.0344(7) Uani 1 1 d . . .
C11 C -0.22022(17) 1.02616(10) 0.43877(14) 0.0373(7) Uani 1 1 d . . .
C12 C -0.19183(17) 1.01824(11) 0.39392(14) 0.0395(7) Uani 1 1 d . . .
H12 H -0.1460 1.0236 0.3951 0.047 Uiso 1 1 calc R . .
C13 C -0.23176(17) 1.00222(10) 0.34654(14) 0.0363(7) Uani 1 1 d . . .
C14 C -0.19603(18) 0.99167(10) 0.29944(14) 0.0388(7) Uani 1 1 d . . .
H14A H -0.2290 0.9928 0.2651 0.047 Uiso 1 1 calc R . .
H14B H -0.1607 1.0105 0.2977 0.047 Uiso 1 1 calc R . .
C15 C -0.16397(17) 0.95163(10) 0.30591(13) 0.0356(7) Uani 1 1 d . . .
C16 C -0.09804(18) 0.94840(10) 0.33863(14) 0.0390(7) Uani 1 1 d . . .
H16 H -0.0751 0.9702 0.3544 0.047 Uiso 1 1 calc R . .
C17 C -0.06767(17) 0.91246(10) 0.34710(15) 0.0391(7) Uani 1 1 d . . .
C18 C -0.10136(18) 0.87992(10) 0.32321(15) 0.0394(7) Uani 1 1 d . . .
C19 C -0.16489(17) 0.88244(10) 0.29032(14) 0.0385(7) Uani 1 1 d . . .
H19 H -0.1864 0.8605 0.2739 0.046 Uiso 1 1 calc R . .
C20 C -0.19754(17) 0.91845(10) 0.28148(13) 0.0357(7) Uani 1 1 d . . .
C21 C -0.26865(17) 0.91888(11) 0.24601(13) 0.0371(7) Uani 1 1 d . . .
H21A H -0.2707 0.9005 0.2164 0.045 Uiso 1 1 calc R . .
H21B H -0.2779 0.9442 0.2299 0.045 Uiso 1 1 calc R . .
C22 C -0.15118(17) 1.03876(9) 0.73262(14) 0.0360(7) Uani 1 1 d . . .
C23 C -0.13147(17) 1.04656(9) 0.68264(14) 0.0370(7) Uani 1 1 d . . .
H23 H -0.0864 1.0527 0.6820 0.044 Uiso 1 1 calc R . .
C24 C -0.17960(17) 1.04507(9) 0.63473(14) 0.0357(7) Uani 1 1 d . . .
C25 C -0.24634(17) 1.03512(10) 0.63537(13) 0.0364(7) Uani 1 1 d . . .
C26 C -0.26777(17) 1.02922(10) 0.68397(15) 0.0388(7) Uani 1 1 d . . .
H26 H -0.3134 1.0239 0.6839 0.047 Uiso 1 1 calc R . .
C27 C -0.21986(18) 1.03136(10) 0.73359(14) 0.0379(7) Uani 1 1 d . . .
C28 C -0.24624(18) 1.02380(10) 0.78576(14) 0.0391(7) Uani 1 1 d . . .
H28A H -0.2137 1.0339 0.8167 0.047 Uiso 1 1 calc R . .
H28B H -0.2889 1.0375 0.7838 0.047 Uiso 1 1 calc R . .
C29 C -0.25768(18) 0.98139(10) 0.79546(14) 0.0382(7) Uani 1 1 d . . .
C30 C -0.31967(18) 0.96516(11) 0.76723(14) 0.0416(8) Uani 1 1 d . . .
H30 H -0.3528 0.9807 0.7462 0.050 Uiso 1 1 calc R . .
C31 C -0.33057(18) 0.92651(11) 0.77098(15) 0.0415(8) Uani 1 1 d . . .
C32 C -0.28287(18) 0.90337(10) 0.80409(15) 0.0404(8) Uani 1 1 d . . .
C33 C -0.22267(18) 0.91848(11) 0.83305(15) 0.0409(8) Uani 1 1 d . . .
H33 H -0.1912 0.9028 0.8556 0.049 Uiso 1 1 calc R . .
C34 C -0.20935(17) 0.95816(10) 0.82809(14) 0.0376(7) Uani 1 1 d . . .
C35 C -0.13979(18) 0.97278(11) 0.85686(14) 0.0400(7) Uani 1 1 d . . .
H35A H -0.1262 0.9594 0.8915 0.048 Uiso 1 1 calc R . .
H35B H -0.1431 1.0000 0.8647 0.048 Uiso 1 1 calc R . .
C36 C -0.08516(17) 0.96694(10) 0.82279(14) 0.0384(7) Uani 1 1 d . . .
C37 C -0.05585(19) 0.93002(10) 0.82396(14) 0.0408(8) Uani 1 1 d . . .
H37 H -0.0692 0.9108 0.8456 0.049 Uiso 1 1 calc R . .
C38 C -0.00742(18) 0.92237(10) 0.79307(15) 0.0409(8) Uani 1 1 d . . .
C39 C 0.01367(17) 0.95100(10) 0.76116(14) 0.0385(7) Uani 1 1 d . . .
C40 C -0.01435(17) 0.98721(10) 0.75907(14) 0.0381(7) Uani 1 1 d . . .
H40 H -0.0003 1.0061 0.7374 0.046 Uiso 1 1 calc R . .
C41 C -0.06416(17) 0.99554(10) 0.78974(14) 0.0377(7) Uani 1 1 d . . .
C42 C -0.09475(18) 1.03590(10) 0.78329(15) 0.0398(7) Uani 1 1 d . . .
H42A H -0.1130 1.0423 0.8155 0.048 Uiso 1 1 calc R . .
H42B H -0.0592 1.0544 0.7806 0.048 Uiso 1 1 calc R . .
C43 C -0.43318(18) 0.73358(11) 0.66955(14) 0.0396(7) Uani 1 1 d . . .
C44 C -0.39285(19) 0.75061(11) 0.71586(15) 0.0419(8) Uani 1 1 d . . .
H44 H -0.3619 0.7357 0.7401 0.050 Uiso 1 1 calc R . .
C45 C -0.39874(19) 0.78918(11) 0.72576(14) 0.0412(8) Uani 1 1 d . . .
C46 C -0.44398(18) 0.81212(10) 0.68977(14) 0.0392(7) Uani 1 1 d . . .
C47 C -0.48562(18) 0.79612(11) 0.64471(14) 0.0409(8) Uani 1 1 d . . .
H47 H -0.5167 0.8114 0.6212 0.049 Uiso 1 1 calc R . .
C48 C -0.48099(18) 0.75642(11) 0.63430(14) 0.0395(7) Uani 1 1 d . . .
C49 C -0.52858(18) 0.74077(11) 0.58314(14) 0.0408(8) Uani 1 1 d . . .
H49A H -0.5359 0.7135 0.5881 0.049 Uiso 1 1 calc R . .
H49B H -0.5724 0.7536 0.5789 0.049 Uiso 1 1 calc R . .
C50 C -0.50086(16) 0.74645(10) 0.53134(14) 0.0374(7) Uani 1 1 d . . .
C51 C -0.51057(17) 0.78283(10) 0.50623(14) 0.0392(7) Uani 1 1 d . . .
H51 H -0.5346 0.8018 0.5207 0.047 Uiso 1 1 calc R . .
C52 C -0.48452(17) 0.79014(10) 0.46038(14) 0.0363(7) Uani 1 1 d . . .
C53 C -0.44845(17) 0.76223(10) 0.43808(14) 0.0363(7) Uani 1 1 d . . .
C54 C -0.43830(18) 0.72635(10) 0.46182(14) 0.0397(7) Uani 1 1 d . . .
H54 H -0.4141 0.7077 0.4469 0.048 Uiso 1 1 calc R . .
C55 C -0.46500(17) 0.71814(10) 0.50898(14) 0.0382(7) Uani 1 1 d . . .
C56 C -0.44941(19) 0.67870(10) 0.53482(15) 0.0414(8) Uani 1 1 d . . .
H56A H -0.4525 0.6595 0.5061 0.050 Uiso 1 1 calc R . .
H56B H -0.4833 0.6725 0.5564 0.050 Uiso 1 1 calc R . .
C57 C -0.37837(18) 0.67702(10) 0.57156(14) 0.0390(7) Uani 1 1 d . . .
C58 C -0.32267(18) 0.67120(10) 0.54539(14) 0.0398(7) Uani 1 1 d . . .
H58 H -0.3303 0.6669 0.5078 0.048 Uiso 1 1 calc R . .
C59 C -0.25785(19) 0.67197(10) 0.57544(14) 0.0396(7) Uani 1 1 d . . .
C60 C -0.24542(18) 0.67757(10) 0.63213(14) 0.0395(7) Uani 1 1 d . . .
C61 C -0.29903(19) 0.68318(10) 0.65819(14) 0.0401(8) Uani 1 1 d . . .
H61 H -0.2906 0.6870 0.6959 0.048 Uiso 1 1 calc R . .
C62 C -0.36656(19) 0.68318(10) 0.62832(14) 0.0388(7) Uani 1 1 d . . .
C63 C -0.42303(19) 0.69094(10) 0.65970(15) 0.0411(8) Uani 1 1 d . . .
H63A H -0.4122 0.6778 0.6948 0.049 Uiso 1 1 calc R . .
H63B H -0.4654 0.6803 0.6393 0.049 Uiso 1 1 calc R . .
C64 C 0.13389(18) 0.76199(10) 0.51008(15) 0.0415(8) Uani 1 1 d . . .
C65 C 0.08219(18) 0.76489(11) 0.46253(15) 0.0404(7) Uani 1 1 d . . .
H65 H 0.0588 0.7431 0.4472 0.049 Uiso 1 1 calc R . .
C66 C 0.06688(18) 0.80056(10) 0.43916(14) 0.0396(7) Uani 1 1 d . . .
C67 C 0.10227(17) 0.83338(10) 0.46044(15) 0.0388(7) Uani 1 1 d . . .
C68 C 0.15270(18) 0.83094(11) 0.50695(15) 0.0398(7) Uani 1 1 d . . .
H68 H 0.1764 0.8529 0.5211 0.048 Uiso 1 1 calc R . .
C69 C 0.16836(18) 0.79523(11) 0.53297(15) 0.0400(7) Uani 1 1 d . . .
C70 C 0.22063(18) 0.79538(11) 0.58613(15) 0.0421(8) Uani 1 1 d . . .
H70A H 0.2420 0.7702 0.5917 0.051 Uiso 1 1 calc R . .
H70B H 0.2559 0.8141 0.5836 0.051 Uiso 1 1 calc R . .
C71 C 0.18920(17) 0.80505(10) 0.63485(15) 0.0390(7) Uani 1 1 d . . .
C72 C 0.17649(18) 0.84447(11) 0.64370(15) 0.0414(8) Uani 1 1 d . . .
H72 H 0.1887 0.8632 0.6207 0.050 Uiso 1 1 calc R . .
C73 C 0.14576(18) 0.85509(10) 0.68684(15) 0.0405(8) Uani 1 1 d . . .
C74 C 0.12945(18) 0.82763(11) 0.72229(15) 0.0402(7) Uani 1 1 d . . .
C75 C 0.14177(17) 0.78914(10) 0.71493(14) 0.0394(7) Uani 1 1 d . . .
H75 H 0.1310 0.7709 0.7392 0.047 Uiso 1 1 calc R . .
C76 C 0.17073(18) 0.77752(10) 0.67039(15) 0.0405(8) Uani 1 1 d . . .
C77 C 0.17460(19) 0.73472(11) 0.66028(15) 0.0433(8) Uani 1 1 d . . .
H77A H 0.1864 0.7215 0.6952 0.052 Uiso 1 1 calc R . .
H77B H 0.2106 0.7298 0.6402 0.052 Uiso 1 1 calc R . .
C78 C 0.10757(18) 0.71847(10) 0.62807(14) 0.0386(7) Uani 1 1 d . . .
C79 C 0.05549(18) 0.71173(10) 0.65735(14) 0.0386(7) Uani 1 1 d . . .
H79 H 0.0631 0.7164 0.6948 0.046 Uiso 1 1 calc R . .
C80 C -0.00627(19) 0.69825(10) 0.63037(15) 0.0406(8) Uani 1 1 d . . .
C81 C -0.01834(18) 0.69069(10) 0.57428(15) 0.0398(7) Uani 1 1 d . . .
C82 C 0.03175(19) 0.69734(10) 0.54446(15) 0.0416(8) Uani 1 1 d . . .
H82 H 0.0236 0.6923 0.5070 0.050 Uiso 1 1 calc R . .
C83 C 0.09544(18) 0.71184(10) 0.57151(15) 0.0389(7) Uani 1 1 d . . .
C84 C 0.14632(19) 0.72194(11) 0.53542(16) 0.0430(8) Uani 1 1 d . . .
H84A H 0.1922 0.7208 0.5573 0.052 Uiso 1 1 calc R . .
H84B H 0.1429 0.7030 0.5064 0.052 Uiso 1 1 calc R . .
C97 C -0.27407(18) 1.09982(10) 0.52497(15) 0.0410(8) Uani 1 1 d . . .
C98 C -0.3147(2) 1.11418(12) 0.47561(19) 0.0513(9) Uani 1 1 d . . .
H98 H -0.3242 1.0982 0.4450 0.062 Uiso 1 1 calc R . .
C99 C -0.3403(2) 1.15103(13) 0.4719(2) 0.0603(11) Uani 1 1 d . . .
H99 H -0.3662 1.1598 0.4389 0.072 Uiso 1 1 calc R . .
C100 C -0.3277(2) 1.17544(14) 0.5176(2) 0.0655(13) Uani 1 1 d . . .
H100 H -0.3450 1.2004 0.5150 0.079 Uiso 1 1 calc R . .
C101 C -0.2900(2) 1.16233(13) 0.5660(2) 0.0628(12) Uani 1 1 d . . .
H101 H -0.2815 1.1784 0.5965 0.075 Uiso 1 1 calc R . .
C102 C -0.2639(2) 1.12493(12) 0.56995(18) 0.0518(9) Uani 1 1 d . . .
H102 H -0.2391 1.1164 0.6034 0.062 Uiso 1 1 calc R . .
C103 C 0.06805(19) 0.85553(10) 0.31581(16) 0.0436(8) Uani 1 1 d . . .
C104 C 0.0402(2) 0.86774(11) 0.26229(17) 0.0501(9) Uani 1 1 d . . .
H104 H -0.0053 0.8754 0.2540 0.060 Uiso 1 1 calc R . .
C105 C 0.0779(3) 0.86873(12) 0.22150(19) 0.0578(11) Uani 1 1 d . . .
H105 H 0.0578 0.8769 0.1864 0.069 Uiso 1 1 calc R . .
C106 C 0.1453(3) 0.85761(15) 0.2328(2) 0.0704(14) Uani 1 1 d . . .
H106 H 0.1713 0.8589 0.2058 0.084 Uiso 1 1 calc R . .
C107 C 0.1737(3) 0.84463(19) 0.2845(2) 0.0835(17) Uani 1 1 d . . .
H107 H 0.2191 0.8368 0.2925 0.100 Uiso 1 1 calc R . .
C108 C 0.1349(2) 0.84317(16) 0.3249(2) 0.0670(13) Uani 1 1 d . . .
H108 H 0.1547 0.8335 0.3592 0.080 Uiso 1 1 calc R . .
C109 C 0.1670(2) 0.90865(11) 0.81643(16) 0.0462(8) Uani 1 1 d . . .
C110 C 0.2026(3) 0.88209(15) 0.8531(2) 0.0722(14) Uani 1 1 d . . .
H110 H 0.1933 0.8560 0.8477 0.087 Uiso 1 1 calc R . .
C111 C 0.2517(3) 0.89381(18) 0.8975(3) 0.094(2) Uani 1 1 d . . .
H111 H 0.2744 0.8757 0.9221 0.113 Uiso 1 1 calc R . .
C112 C 0.2668(4) 0.93221(19) 0.9051(3) 0.108(3) Uani 1 1 d . . .
H112 H 0.3008 0.9400 0.9343 0.130 Uiso 1 1 calc R . .
C113 C 0.2323(4) 0.95909(18) 0.8702(3) 0.099(2) Uani 1 1 d . . .
H113 H 0.2423 0.9851 0.8755 0.119 Uiso 1 1 calc R . .
C114 C 0.1826(3) 0.94714(14) 0.8271(2) 0.0670(13) Uani 1 1 d . . .
H114 H 0.1583 0.9656 0.8041 0.080 Uiso 1 1 calc R . .
C115 C -0.10731(18) 0.61368(11) 0.61870(14) 0.0404(8) Uani 1 1 d . . .
C116 C -0.0658(2) 0.59383(13) 0.5895(2) 0.0589(11) Uani 1 1 d . . .
H116 H -0.0454 0.6072 0.5647 0.071 Uiso 1 1 calc R . .
C117 C -0.0541(2) 0.55465(14) 0.5963(2) 0.0647(12) Uani 1 1 d . . .
H117 H -0.0261 0.5422 0.5762 0.078 Uiso 1 1 calc R . .
C118 C -0.0837(2) 0.53419(12) 0.63256(18) 0.0556(10) Uani 1 1 d . . .
H118 H -0.0770 0.5078 0.6365 0.067 Uiso 1 1 calc R . .
C119 C -0.1233(3) 0.55318(13) 0.66271(19) 0.0651(12) Uani 1 1 d . . .
H119 H -0.1424 0.5397 0.6882 0.078 Uiso 1 1 calc R . .
C120 C -0.1352(3) 0.59240(13) 0.65571(17) 0.0580(11) Uani 1 1 d . . .
H120 H -0.1627 0.6047 0.6764 0.070 Uiso 1 1 calc R . .
O1 O -0.46074(12) 0.87039(7) 0.37154(10) 0.0397(5) Uani 1 1 d . A .
O2 O -0.39152(12) 0.82229(7) 0.33557(10) 0.0393(5) Uani 1 1 d . A .
O3 O -0.48835(13) 0.82429(7) 0.43184(10) 0.0395(5) Uani 1 1 d . A .
O4 O -0.42406(13) 0.77507(7) 0.39351(10) 0.0409(5) Uani 1 1 d . A .
O5 O -0.18827(12) 1.04092(8) 0.48832(10) 0.0435(6) Uani 1 1 d . F .
O6 O -0.30830(11) 1.02599(7) 0.48592(10) 0.0376(5) Uani 1 1 d . . .
O7 O -0.16879(12) 1.05123(7) 0.58260(10) 0.0376(5) Uani 1 1 d . F .
O8 O -0.28634(12) 1.03227(7) 0.58333(10) 0.0394(5) Uani 1 1 d . . .
O9 O -0.30275(13) 0.86548(7) 0.80360(11) 0.0437(6) Uani 1 1 d . . .
O10 O -0.38595(13) 0.90612(8) 0.74424(11) 0.0456(6) Uani 1 1 d . . .
O11 O -0.36270(14) 0.80976(8) 0.76912(10) 0.0459(6) Uani 1 1 d . . .
O12 O -0.44038(13) 0.84991(7) 0.70456(10) 0.0430(6) Uani 1 1 d . . .
O13 O -0.06440(12) 0.84697(7) 0.33675(12) 0.0460(6) Uani 1 1 d . . .
O14 O -0.00543(12) 0.90425(7) 0.37865(11) 0.0426(6) Uani 1 1 d . . .
O15 O 0.01717(13) 0.80856(7) 0.39414(11) 0.0436(6) Uani 1 1 d . . .
O16 O 0.08051(12) 0.86562(7) 0.43120(11) 0.0421(6) Uani 1 1 d . . .
O17 O 0.09903(13) 0.84314(7) 0.76216(11) 0.0431(6) Uani 1 1 d . . .
O18 O 0.12726(13) 0.89129(7) 0.69890(11) 0.0432(6) Uani 1 1 d . . .
O19 O 0.02508(13) 0.88803(7) 0.78958(11) 0.0452(6) Uani 1 1 d . . .
O20 O 0.06236(13) 0.93842(7) 0.73329(10) 0.0421(6) Uani 1 1 d . . .
O21 O -0.08272(13) 0.67721(8) 0.55473(10) 0.0435(6) Uani 1 1 d . . .
O22 O -0.06206(13) 0.69075(8) 0.65283(10) 0.0445(6) Uani 1 1 d . . .
O23 O -0.19895(12) 0.66851(8) 0.55572(10) 0.0426(6) Uani 1 1 d . . .
O24 O -0.17717(13) 0.67815(8) 0.65497(10) 0.0433(6) Uani 1 1 d . . .
O25 O -0.58616(14) 0.92937(9) 0.39733(13) 0.0601(8) Uani 1 1 d . A .
O26 O -0.42528(13) 0.94107(7) 0.46218(11) 0.0445(6) Uani 1 1 d . A .
O27 O -0.49839(15) 0.89253(8) 0.54720(12) 0.0540(7) Uani 1 1 d . . .
O28 O -0.61928(13) 1.02848(7) 0.43552(11) 0.0434(6) Uani 1 1 d . A .
O29 O -0.44826(12) 1.03332(7) 0.48204(11) 0.0428(6) Uani 1 1 d . . .
O31 O -0.0505(2) 1.09436(10) 0.46156(15) 0.0841(11) Uani 1 1 d . F .
O43 O -0.37545(18) 0.90588(9) 0.62694(13) 0.0661(8) Uani 1 1 d . . .
Na1 Na -0.50393(8) 0.88884(4) 0.45054(6) 0.0483(4) Uani 1 1 d . A .
Na2 Na -0.52256(7) 0.98702(4) 0.43325(6) 0.0434(3) Uani 1 1 d . . .
Na3 Na -0.07460(7) 1.06851(4) 0.54315(6) 0.0464(3) Uani 1 1 d . . .
Si1 Si -0.45886(5) 0.81969(3) 0.37031(4) 0.0367(2) Uani 1 1 d . . .
Si2 Si -0.24377(5) 1.04961(3) 0.53263(4) 0.0356(2) Uani 1 1 d . F .
Si3 Si -0.38657(5) 0.85857(3) 0.76780(4) 0.0409(2) Uani 1 1 d . E .
Si4 Si 0.01890(5) 0.85640(3) 0.37196(4) 0.0399(2) Uani 1 1 d . . .
Si5 Si 0.09619(5) 0.89380(3) 0.75879(4) 0.0395(2) Uani 1 1 d . . .
Si6 Si -0.12601(5) 0.66612(3) 0.60784(4) 0.0395(2) Uani 1 1 d . . .
C180 C -0.4399(10) 0.5738(4) 0.5578(7) 0.199(7) Uani 1 1 d . . .
H180 H -0.4517 0.5961 0.5376 0.239 Uiso 1 1 calc R . .
C181 C -0.4763(9) 0.5417(4) 0.5500(9) 0.275(11) Uani 1 1 d . . .
H181 H -0.5194 0.5445 0.5278 0.330 Uiso 1 1 calc R . .
C182 C -0.4625(11) 0.5077(4) 0.5677(9) 0.278(11) Uani 1 1 d . . .
H182 H -0.4896 0.4863 0.5561 0.333 Uiso 1 1 calc R . .
C183 C -0.4057(8) 0.5065(4) 0.6040(6) 0.193(6) Uani 1 1 d . . .
H183 H -0.3904 0.4835 0.6212 0.231 Uiso 1 1 calc R . .
C184 C -0.3691(8) 0.5394(4) 0.6160(5) 0.194(6) Uani 1 1 d . . .
H184 H -0.3279 0.5383 0.6412 0.233 Uiso 1 1 calc R . .
C185 C -0.3883(10) 0.5710(3) 0.5949(7) 0.195(7) Uani 1 1 d . . .
H185 H -0.3635 0.5931 0.6072 0.234 Uiso 1 1 calc R . .
O30A O -0.5047(3) 1.0167(2) 0.3509(3) 0.0482(16) Uani 0.530(8) 1 d P A 1
O42A O -0.5370(5) 0.9049(3) 0.6452(5) 0.055(2) Uani 0.530(8) 1 d P A 1
O68 O -0.5768(4) 0.9535(2) 0.2877(3) 0.0529(18) Uani 0.530(8) 1 d P A 1
C169 C -0.5608(6) 0.9253(4) 0.2622(5) 0.067(4) Uani 0.530(8) 1 d P A 1
H169 H -0.5646 0.9009 0.2766 0.080 Uiso 0.530(8) 1 calc PR A 1
N1 N -0.5382(4) 0.9283(5) 0.2142(4) 0.084(5) Uani 0.530(8) 1 d P A 1
C170 C -0.5282(6) 0.9643(4) 0.1950(4) 0.078(3) Uani 0.530(8) 1 d P A 1
H17A H -0.5593 0.9821 0.2067 0.117 Uiso 0.530(8) 1 calc PR A 1
H17B H -0.5362 0.9638 0.1557 0.117 Uiso 0.530(8) 1 calc PR A 1
H17C H -0.4821 0.9724 0.2093 0.117 Uiso 0.530(8) 1 calc PR A 1
C171 C -0.5109(4) 0.8917(3) 0.1918(3) 0.129(3) Uani 1 1 d . . .
H17D H -0.4966 0.8975 0.1582 0.194 Uiso 0.530(8) 1 calc PR A 1
H17E H -0.5462 0.8726 0.1853 0.194 Uiso 0.530(8) 1 calc PR A 1
H17F H -0.4726 0.8821 0.2181 0.194 Uiso 0.530(8) 1 calc PR A 1
H17G H -0.4993 0.9021 0.1591 0.194 Uiso 0.470(8) 1 calc PR A 2
H17H H -0.5436 0.8714 0.1823 0.194 Uiso 0.470(8) 1 calc PR A 2
H17I H -0.4705 0.8818 0.2152 0.194 Uiso 0.470(8) 1 calc PR A 2
C85A C -0.53460(19) 0.80546(13) 0.31765(16) 0.0484(9) Uani 1 1 d D A .
C86A C -0.5940(6) 0.8293(4) 0.3082(5) 0.073(3) Uani 0.530(8) 1 d P A 1
H86A H -0.5969 0.8508 0.3299 0.088 Uiso 0.530(8) 1 calc PR A 1
C87A C -0.6473(6) 0.8194(7) 0.2656(6) 0.117(7) Uani 0.530(8) 1 d P A 1
H87A H -0.6880 0.8331 0.2615 0.141 Uiso 0.530(8) 1 calc PR A 1
C88A C -0.6430(10) 0.7911(10) 0.2301(7) 0.158(12) Uani 0.530(8) 1 d P A 1
H88A H -0.6782 0.7877 0.1999 0.189 Uiso 0.530(8) 1 calc PR A 1
C89A C -0.5817(7) 0.7646(4) 0.2383(4) 0.046(3) Uani 0.530(8) 1 d P A 1
H89A H -0.5811 0.7417 0.2193 0.056 Uiso 0.530(8) 1 calc PR A 1
C90A C -0.5260(8) 0.7780(5) 0.2773(6) 0.042(3) Uani 0.530(8) 1 d P A 1
H90A H -0.4825 0.7687 0.2768 0.050 Uiso 0.530(8) 1 calc PR A 1
O30B O -0.5267(6) 0.9963(4) 0.3420(4) 0.085(3) Uani 0.470(8) 1 d P A 2
O44B O -0.4886(4) 1.0540(3) 0.2875(4) 0.099(3) Uani 0.470(8) 1 d P A 2
O42B O -0.5485(10) 0.8883(5) 0.6444(7) 0.112(6) Uani 0.470(8) 1 d P A 2
O70 O -0.5926(7) 0.9312(4) 0.2887(5) 0.099(4) Uani 0.470(8) 1 d P A 2
C172 C -0.5676(14) 0.9086(9) 0.2545(11) 0.152(14) Uani 0.470(8) 1 d PD A 2
H172 H -0.5720 0.8820 0.2572 0.183 Uiso 0.470(8) 1 calc PR A 2
N3 N -0.5395(18) 0.9215(11) 0.2201(12) 0.195 Uani 0.470(8) 1 d P A 2
C173 C -0.533(3) 0.9615(16) 0.199(2) 0.381 Uani 0.470(8) 1 d PD A 2
H17D H -0.5019 0.9613 0.1739 0.572 Uiso 0.470(8) 1 calc PR A 2
H17E H -0.5166 0.9785 0.2285 0.572 Uiso 0.470(8) 1 calc PR A 2
H17F H -0.5771 0.9701 0.1793 0.572 Uiso 0.470(8) 1 calc PR A 2
C86B C -0.6021(6) 0.8065(5) 0.3252(7) 0.116(8) Uani 0.470(8) 1 d PD A 2
H86B H -0.6107 0.8195 0.3558 0.140 Uiso 0.470(8) 1 calc PR A 2
C87B C -0.6556(6) 0.7900(6) 0.2915(8) 0.128(9) Uani 0.470(8) 1 d PD A 2
H87B H -0.6992 0.7921 0.2990 0.154 Uiso 0.470(8) 1 calc PR A 2
C88B C -0.6460(7) 0.7699(4) 0.2457(6) 0.066(4) Uani 0.470(8) 1 d PD A 2
H88B H -0.6811 0.7569 0.2228 0.079 Uiso 0.470(8) 1 calc PR A 2
C89B C -0.5884(15) 0.7707(10) 0.2380(13) 0.184(18) Uani 0.470(8) 1 d PD A 2
H89B H -0.5796 0.7628 0.2044 0.221 Uiso 0.470(8) 1 calc PR A 2
C90B C -0.5368(14) 0.7830(9) 0.2775(13) 0.102(10) Uani 0.470(8) 1 d PD A 2
H90B H -0.4945 0.7731 0.2747 0.122 Uiso 0.470(8) 1 calc PR A 2
Na4A Na -0.1627(3) 0.64846(16) 0.47760(18) 0.0673(12) Uani 0.518(3) 1 d P . 1
O33A O -0.0835(13) 0.6346(8) 0.4412(8) 0.201(11) Uani 0.518(3) 1 d P . 1
O34A O -0.2419(18) 0.6830(10) 0.4034(11) 0.308 Uani 0.518(3) 1 d P . 1
O35A O -0.1816(13) 0.7311(7) 0.4625(6) 0.277 Uani 0.518(3) 1 d P . 1
Na5A Na -0.10609(17) 0.72520(10) 0.71627(15) 0.0558(9) Uani 0.518(3) 1 d P . 1
O36A O -0.1723(4) 0.7384(2) 0.7805(3) 0.075(2) Uani 0.518(3) 1 d P . 1
O38A O -0.0064(3) 0.73042(19) 0.7852(2) 0.0642(17) Uani 0.518(3) 1 d P . 1
O37A O 0.0859(3) 0.78611(17) 0.8373(2) 0.0528(14) Uani 0.518(3) 1 d P . 1
Na6A Na -0.0805(2) 0.77614(11) 0.35713(17) 0.0626(10) Uani 0.518(3) 1 d P . 1
O39A O -0.1211(9) 0.7935(5) 0.4041(9) 0.207(8) Uani 0.518(3) 1 d P . 1
O40A O -0.0375(7) 0.7922(3) 0.8745(4) 0.124(4) Uani 0.518(3) 1 d P . 1
O41A O -0.0705(3) 0.8280(2) 0.7753(3) 0.0649(17) Uani 0.518(3) 1 d P . 1
O46A O -0.3076(9) 0.7388(4) 0.3602(7) 0.117(6) Uani 0.518(3) 1 d P . 1
O47A O -0.2590(8) 0.7891(4) 0.3432(7) 0.166(6) Uani 0.518(3) 1 d P . 1
O49A O -0.2075(7) 0.8174(6) 0.7594(9) 0.212(8) Uani 0.518(3) 1 d P . 1
O69 O -0.0865(4) 0.7853(2) 0.6790(3) 0.0738(19) Uani 0.518(3) 1 d P . 1
C174 C -0.0446(4) 0.7950(2) 0.6545(5) 0.058(2) Uani 0.518(3) 1 d P . 1
H174 H -0.0033 0.8042 0.6745 0.070 Uiso 0.518(3) 1 calc PR . 1
N2 N -0.0530(4) 0.7938(2) 0.5982(4) 0.0594(19) Uani 0.518(3) 1 d P . 1
C175 C -0.0005(6) 0.8046(3) 0.5737(5) 0.063(3) Uani 0.518(3) 1 d P . 1
H17G H -0.0154 0.8250 0.5482 0.094 Uiso 0.518(3) 1 calc PR . 1
H17H H 0.0134 0.7830 0.5545 0.094 Uiso 0.518(3) 1 calc PR . 1
H17I H 0.0373 0.8132 0.6011 0.094 Uiso 0.518(3) 1 calc PR . 1
C176 C -0.1122(4) 0.7804(2) 0.5657(4) 0.060(2) Uani 0.518(3) 1 d P . 1
H17J H -0.1398 0.7682 0.5882 0.090 Uiso 0.518(3) 1 calc PR . 1
H17K H -0.1013 0.7621 0.5399 0.090 Uiso 0.518(3) 1 calc PR . 1
H17L H -0.1369 0.8016 0.5463 0.090 Uiso 0.518(3) 1 calc PR . 1
Na4B Na -0.1623(3) 0.6727(2) 0.4703(2) 0.0767(15) Uani 0.482(3) 1 d P . 2
O33B O -0.0771(5) 0.6370(3) 0.4300(5) 0.061(2) Uani 0.482(3) 1 d P . 2
O34B O -0.2675(5) 0.6525(4) 0.4224(4) 0.129(5) Uani 0.482(3) 1 d P . 2
O35B O -0.2001(8) 0.6974(8) 0.4126(5) 0.234(14) Uani 0.482(3) 1 d P . 2
Na5B Na -0.0814(5) 0.7114(2) 0.7540(3) 0.134(3) Uani 0.482(3) 1 d P . 2
O36B O -0.1839(12) 0.7512(6) 0.7315(8) 0.234(11) Uani 0.482(3) 1 d P . 2
O37B O -0.2176(7) 0.7213(5) 0.7974(7) 0.155(6) Uani 0.482(3) 1 d P . 2
O38B O 0.0345(4) 0.7549(2) 0.8097(3) 0.078(2) Uani 0.482(3) 1 d P . 2
Na6B Na 0.0148(3) 0.82135(12) 0.81320(19) 0.0792(14) Uani 0.482(3) 1 d P . 2
O39B O -0.0994(8) 0.7604(5) 0.3845(9) 0.094(5) Uani 0.2650(18) 1 d P . 2
O40B O -0.0935(7) 0.8167(4) 0.8399(5) 0.136(4) Uani 0.482(3) 1 d P . 2
O41B O 0.0771(6) 0.8277(4) 0.9034(5) 0.032(3) Uani 0.1927(13) 1 d P . 2
O41C O 0.0289(17) 0.8367(5) 0.9000(8) 0.157(11) Uani 0.289(2) 1 d P . 2
O46B O -0.3204(8) 0.7314(6) 0.3650(5) 0.127(8) Uani 0.482(3) 1 d P . 2
O47B O -0.2056(18) 0.8030(10) 0.3708(14) 0.336 Uani 0.482(3) 1 d P . 2
O49B O -0.1951(4) 0.8146(2) 0.8049(3) 0.0613(18) Uani 0.482(3) 1 d P . 2
O48C O -0.3075(9) 0.7824(8) 0.3891(9) 0.094(12) Uani 0.176(13) 1 d P B 2
O50B O -0.0699(12) 0.8103(8) 0.7300(12) 0.262(12) Uani 0.482(3) 1 d P . 2
O51B O -0.0184(13) 0.8137(8) 0.6111(16) 0.34(2) Uani 0.482(3) 1 d P . 2
O35C O -0.122(3) 0.7115(13) 0.4005(15) 0.358(18) Uani 0.34(3) 1 d P C 3
O39C O -0.1437(12) 0.7740(9) 0.4250(8) 0.126(12) Uani 0.2168(15) 1 d P . 3
O55C O -0.0363(17) 0.8569(10) 0.6429(14) 0.043(12) Uiso 0.077(10) 1 d P D 3
C91 C -0.4437(2) 0.86236(15) 0.81839(17) 0.0578(11) Uani 1 1 d D . .
C92A C -0.4778(3) 0.8298(3) 0.8331(3) 0.072(3) Uani 0.853(15) 1 d P E 1
H92A H -0.4693 0.8062 0.8182 0.086 Uiso 0.853(15) 1 calc PR E 1
C93A C -0.5228(7) 0.8305(5) 0.8682(6) 0.112(5) Uani 0.853(15) 1 d P E 1
H93A H -0.5463 0.8085 0.8753 0.134 Uiso 0.853(15) 1 calc PR E 1
C94A C -0.5317(4) 0.8664(6) 0.8929(3) 0.114(5) Uani 0.853(15) 1 d P E 1
H94A H -0.5609 0.8682 0.9175 0.136 Uiso 0.853(15) 1 calc PR E 1
C95A C -0.4980(8) 0.8983(6) 0.8811(6) 0.139(8) Uani 0.853(15) 1 d P E 1
H95A H -0.5034 0.9215 0.8984 0.167 Uiso 0.853(15) 1 calc PR E 1
C96A C -0.4552(4) 0.8964(3) 0.8431(3) 0.092(3) Uani 0.853(15) 1 d P E 1
H96A H -0.4341 0.9187 0.8343 0.111 Uiso 0.853(15) 1 calc PR E 1
C92B C -0.477(3) 0.8377(10) 0.843(3) 0.113 Uani 0.147(15) 1 d PD E 2
H92B H -0.4704 0.8118 0.8364 0.136 Uiso 0.147(15) 1 calc PR E 2
C93B C -0.520(3) 0.8446(9) 0.8775(15) 0.025(7) Uani 0.147(15) 1 d P E 2
H93B H -0.5434 0.8257 0.8924 0.030 Uiso 0.147(15) 1 calc PR E 2
C94B C -0.524(5) 0.8853(16) 0.888(3) 0.078 Uani 0.147(15) 1 d P E 2
H94B H -0.5352 0.8927 0.9208 0.094 Uiso 0.147(15) 1 calc PR E 2
C95B C -0.513(4) 0.9108(13) 0.857(2) 0.080(18) Uani 0.147(15) 1 d P E 2
H95B H -0.5312 0.9354 0.8577 0.096 Uiso 0.147(15) 1 calc PR E 2
C96B C -0.478(4) 0.9019(16) 0.824(4) 0.146 Uani 0.147(15) 1 d P E 2
H96B H -0.4705 0.9209 0.7990 0.175 Uiso 0.147(15) 1 calc PR E 2
O32A O -0.0438(4) 1.00578(17) 0.5468(3) 0.0768(18) Uani 0.697(8) 1 d P F 1
O45A O 0.0069(6) 0.9483(4) 0.6184(4) 0.057(2) Uani 0.697(8) 1 d P F 1
O56 O -0.1201(3) 0.91636(16) 0.6198(2) 0.0778(18) Uani 0.697(8) 1 d P F 1
C121 C -0.1216(5) 0.8866(2) 0.6580(4) 0.082(3) Uani 0.697(8) 1 d P F 1
H12A H -0.0769 0.8836 0.6815 0.099 Uiso 0.697(8) 1 calc PR F 1
H12B H -0.1339 0.8625 0.6390 0.099 Uiso 0.697(8) 1 calc PR F 1
C122 C -0.1742(5) 0.8971(3) 0.6923(4) 0.082(3) Uani 0.697(8) 1 d P F 1
H12C H -0.2135 0.8801 0.6838 0.099 Uiso 0.697(8) 1 calc PR F 1
H12D H -0.1546 0.8950 0.7311 0.099 Uiso 0.697(8) 1 calc PR F 1
C123 C -0.1933(6) 0.9354(3) 0.6783(5) 0.103(4) Uani 0.697(8) 1 d P F 1
H12E H -0.1761 0.9523 0.7089 0.124 Uiso 0.697(8) 1 calc PR F 1
H12F H -0.2426 0.9376 0.6694 0.124 Uiso 0.697(8) 1 calc PR F 1
C124 C -0.1651(14) 0.9458(6) 0.6321(10) 0.217(13) Uani 0.697(8) 1 d P F 1
H12G H -0.1401 0.9698 0.6397 0.260 Uiso 0.697(8) 1 calc PR F 1
H12H H -0.2017 0.9498 0.6006 0.260 Uiso 0.697(8) 1 calc PR F 1
O32B O -0.0065(5) 1.0110(3) 0.5453(5) 0.045(3) Uani 0.303(8) 1 d P F 2
O45B O 0.0254(17) 0.9504(14) 0.6282(14) 0.091(11) Uani 0.303(8) 1 d P F 2
O67 O -0.2313(12) 0.8880(8) 0.6671(9) 0.159(9) Uani 0.303(8) 1 d PD F 2
C165 C -0.190(4) 0.9126(18) 0.7057(14) 0.313 Uani 0.303(8) 1 d PD F 2
H16A H -0.1579 0.8979 0.7319 0.375 Uiso 0.303(8) 1 calc PR F 2
H16B H -0.2186 0.9277 0.7254 0.375 Uiso 0.303(8) 1 calc PR F 2
C166 C -0.154(2) 0.9387(12) 0.6711(12) 0.189 Uani 0.303(8) 1 d PD F 2
H16C H -0.1568 0.9653 0.6825 0.226 Uiso 0.303(8) 1 calc PR F 2
H16D H -0.1057 0.9318 0.6775 0.226 Uiso 0.303(8) 1 calc PR F 2
C167 C -0.1815(11) 0.9354(7) 0.6159(9) 0.081(8) Uani 0.303(8) 1 d PD F 2
H16E H -0.1467 0.9367 0.5940 0.097 Uiso 0.303(8) 1 calc PR F 2
H16F H -0.2154 0.9553 0.6040 0.097 Uiso 0.303(8) 1 calc PR F 2
C168 C -0.215(3) 0.8941(12) 0.6131(12) 0.262 Uani 0.303(8) 1 d PD F 2
H16G H -0.2564 0.8932 0.5848 0.315 Uiso 0.303(8) 1 calc PR F 2
H16H H -0.1838 0.8746 0.6053 0.315 Uiso 0.303(8) 1 calc PR F 2
C186 C -0.6219(12) 0.8954(7) 0.0414(8) 0.150(11) Uani 0.530(8) 1 d PD A 1
H186 H -0.5928 0.9023 0.0182 0.180 Uiso 0.530(8) 1 calc PR A 1
C187 C -0.6558(9) 0.9229(7) 0.0694(9) 0.200 Uani 0.530(8) 1 d PD A 1
H187 H -0.6511 0.9491 0.0633 0.240 Uiso 0.530(8) 1 calc PR A 1
C188 C -0.6968(8) 0.9100(7) 0.1065(11) 0.247 Uani 0.530(8) 1 d PD A 1
H188 H -0.7177 0.9288 0.1241 0.297 Uiso 0.530(8) 1 calc PR A 1
C189 C -0.7088(15) 0.8695(8) 0.1194(13) 0.275 Uani 0.530(8) 1 d PD A 1
H189 H -0.7397 0.8625 0.1411 0.330 Uiso 0.530(8) 1 calc PR A 1
C190 C -0.6689(9) 0.8409(7) 0.0959(10) 0.190(14) Uani 0.530(8) 1 d PD A 1
H190 H -0.6643 0.8155 0.1076 0.227 Uiso 0.530(8) 1 calc PR A 1
C191 C -0.6374(12) 0.8558(6) 0.0528(9) 0.126(9) Uani 0.530(8) 1 d PD A 1
H191 H -0.6254 0.8375 0.0292 0.151 Uiso 0.530(8) 1 calc PR A 1
C192 C -0.6435(14) 0.8748(8) 0.0413(9) 0.126(11) Uani 0.470(8) 1 d PD A 2
H192 H -0.6181 0.8685 0.0151 0.151 Uiso 0.470(8) 1 calc PR A 2
C193 C -0.6449(10) 0.9144(7) 0.0593(6) 0.213(18) Uani 0.470(8) 1 d PD A 2
H193 H -0.6251 0.9341 0.0425 0.255 Uiso 0.470(8) 1 calc PR A 2
C194 C -0.6775(6) 0.9219(4) 0.1033(5) 0.089(5) Uani 0.470(8) 1 d PD A 2
H194 H -0.6802 0.9472 0.1148 0.107 Uiso 0.470(8) 1 calc PR A 2
C195 C -0.7073(8) 0.8915(3) 0.1314(7) 0.102(5) Uani 0.470(8) 1 d PD A 2
H195 H -0.7287 0.8978 0.1600 0.123 Uiso 0.470(8) 1 calc PR A 2
C196 C -0.7040(15) 0.8516(5) 0.1156(13) 0.327 Uani 0.470(8) 1 d PD A 2
H196 H -0.7155 0.8315 0.1367 0.392 Uiso 0.470(8) 1 calc PR A 2
C197 C -0.6807(17) 0.8450(8) 0.0633(10) 0.168(14) Uani 0.470(8) 1 d PD A 2
H197 H -0.6901 0.8218 0.0448 0.201 Uiso 0.470(8) 1 calc PR A 2
O58 O -0.1688(6) 0.8578(3) 0.4582(4) 0.143(3) Uani 0.745(7) 1 d P G 1
C129 C -0.2255(7) 0.8747(5) 0.4260(4) 0.145(3) Uani 0.745(7) 1 d PD G 1
H12I H -0.2668 0.8609 0.4290 0.174 Uiso 0.745(7) 1 calc PR G 1
H12J H -0.2215 0.8754 0.3878 0.174 Uiso 0.745(7) 1 calc PR G 1
C130 C -0.2259(8) 0.9153(4) 0.4492(8) 0.224 Uani 0.745(7) 1 d PD G 1
H13A H -0.2521 0.9161 0.4780 0.269 Uiso 0.745(7) 1 calc PR G 1
H13B H -0.2459 0.9333 0.4207 0.269 Uiso 0.745(7) 1 calc PR G 1
C131 C -0.1508(6) 0.9255(3) 0.4721(4) 0.115(4) Uani 0.745(7) 1 d PD G 1
H13C H -0.1309 0.9395 0.4455 0.138 Uiso 0.745(7) 1 calc PR G 1
H13D H -0.1459 0.9405 0.5055 0.138 Uiso 0.745(7) 1 calc PR G 1
C132 C -0.1192(5) 0.8863(3) 0.4832(4) 0.108(3) Uani 0.745(7) 1 d PD G 1
H13E H -0.0784 0.8845 0.4678 0.129 Uiso 0.745(7) 1 calc PR G 1
H13F H -0.1065 0.8819 0.5223 0.129 Uiso 0.745(7) 1 calc PR G 1
O52B O -0.286(2) 0.9126(13) 0.4618(17) 0.249 Uani 0.255(7) 1 d P G 2
O53B O -0.181(2) 0.8948(10) 0.4472(9) 0.169 Uani 0.255(7) 1 d P G 2
O54C O -0.226(2) 0.9124(15) 0.424(2) 0.244 Uani 0.240(17) 1 d P H 3
O60 O 0.0490(5) 0.6007(2) 0.4729(3) 0.172(4) Uani 0.850(5) 1 d P I 1
C137 C 0.1044(6) 0.6050(3) 0.5195(5) 0.120(3) Uani 0.850(5) 1 d PD I 1
H13G H 0.1420 0.6188 0.5091 0.144 Uiso 0.850(5) 1 calc PR I 1
H13H H 0.0892 0.6193 0.5483 0.144 Uiso 0.850(5) 1 calc PR I 1
C138 C 0.1253(6) 0.5677(3) 0.5380(6) 0.144(5) Uani 0.850(5) 1 d P I 1
H13I H 0.1077 0.5614 0.5705 0.172 Uiso 0.850(5) 1 calc PR I 1
H13J H 0.1747 0.5663 0.5471 0.172 Uiso 0.850(5) 1 calc PR I 1
C139 C 0.0986(6) 0.5408(3) 0.4940(4) 0.137(4) Uani 0.850(5) 1 d P I 1
H13K H 0.1355 0.5285 0.4803 0.165 Uiso 0.850(5) 1 calc PR I 1
H13L H 0.0710 0.5211 0.5066 0.165 Uiso 0.850(5) 1 calc PR I 1
C140 C 0.0575(10) 0.5647(4) 0.4520(5) 0.224(10) Uani 0.850(5) 1 d PD I 1
H14C H 0.0798 0.5670 0.4210 0.269 Uiso 0.850(5) 1 calc PR I 1
H14D H 0.0133 0.5528 0.4394 0.269 Uiso 0.850(5) 1 calc PR I 1
O63 O 0.0326(8) 0.5745(5) 0.5007(6) 0.036 Uani 0.150(5) 1 d PD I 2
C149 C 0.089(2) 0.590(3) 0.540(3) 0.212 Uani 0.150(5) 1 d PD I 2
H14E H 0.1105 0.5715 0.5676 0.255 Uiso 0.150(5) 1 calc PR I 2
H14F H 0.0788 0.6139 0.5569 0.255 Uiso 0.150(5) 1 calc PR I 2
C150 C 0.131(6) 0.595(3) 0.480(5) 0.225 Uani 0.150(5) 1 d P I 2
H15A H 0.1115 0.6165 0.4567 0.270 Uiso 0.150(5) 1 calc PR I 2
H15B H 0.1800 0.5999 0.4920 0.270 Uiso 0.150(5) 1 calc PR I 2
C151 C 0.1203(17) 0.5647(11) 0.4570(13) 0.071 Uani 0.150(5) 1 d PD I 2
H15C H 0.1576 0.5470 0.4700 0.085 Uiso 0.150(5) 1 calc PR I 2
H15D H 0.1164 0.5681 0.4178 0.085 Uiso 0.150(5) 1 calc PR I 2
C152 C 0.0531(17) 0.5483(14) 0.4689(17) 0.101 Uani 0.150(5) 1 d PD I 2
H15E H 0.0196 0.5449 0.4352 0.122 Uiso 0.150(5) 1 calc PR I 2
H15F H 0.0609 0.5237 0.4876 0.122 Uiso 0.150(5) 1 calc PR I 2
O61 O 0.2219(3) 0.7694(4) 0.8734(4) 0.099(3) Uani 0.626(11) 1 d P J 1
C141 C 0.2602(5) 0.7784(3) 0.9308(5) 0.081(3) Uani 0.626(11) 1 d P J 1
H14G H 0.2439 0.8020 0.9444 0.097 Uiso 0.626(11) 1 calc PR J 1
H14H H 0.2558 0.7576 0.9559 0.097 Uiso 0.626(11) 1 calc PR J 1
C142 C 0.3319(6) 0.7824(5) 0.9235(4) 0.077(4) Uani 0.626(11) 1 d P J 1
H14I H 0.3631 0.7717 0.9548 0.093 Uiso 0.626(11) 1 calc PR J 1
H14J H 0.3431 0.8094 0.9201 0.093 Uiso 0.626(11) 1 calc PR J 1
C143 C 0.3378(5) 0.7609(3) 0.8718(5) 0.088(3) Uani 0.626(11) 1 d P J 1
H14K H 0.3698 0.7734 0.8530 0.105 Uiso 0.626(11) 1 calc PR J 1
H14L H 0.3522 0.7345 0.8800 0.105 Uiso 0.626(11) 1 calc PR J 1
C144 C 0.2674(5) 0.7624(3) 0.8388(4) 0.082(3) Uani 0.626(11) 1 d P J 1
H14M H 0.2640 0.7828 0.8117 0.098 Uiso 0.626(11) 1 calc PR J 1
H14N H 0.2563 0.7382 0.8197 0.098 Uiso 0.626(11) 1 calc PR J 1
O64 O 0.2054(8) 0.7908(4) 0.9132(6) 0.106(6) Uani 0.374(11) 1 d P J 2
C153 C 0.282(2) 0.7805(13) 0.9548(11) 0.23(3) Uani 0.374(11) 1 d PD J 2
H15G H 0.2931 0.7982 0.9854 0.281 Uiso 0.374(11) 1 calc PR J 2
H15H H 0.2843 0.7542 0.9682 0.281 Uiso 0.374(11) 1 calc PR J 2
C154 C 0.322(2) 0.7864(11) 0.915(3) 0.26(4) Uani 0.374(11) 1 d PD J 2
H15I H 0.3505 0.7640 0.9132 0.315 Uiso 0.374(11) 1 calc PR J 2
H15J H 0.3521 0.8084 0.9254 0.315 Uiso 0.374(11) 1 calc PR J 2
C155 C 0.275(4) 0.794(2) 0.8592(17) 0.467 Uani 0.374(11) 1 d PD J 2
H15K H 0.2605 0.8203 0.8541 0.561 Uiso 0.374(11) 1 calc PR J 2
H15L H 0.2947 0.7852 0.8287 0.561 Uiso 0.374(11) 1 calc PR J 2
C156 C 0.217(3) 0.7670(15) 0.8695(18) 0.210 Uani 0.374(11) 1 d PD J 2
H15M H 0.1787 0.7658 0.8389 0.252 Uiso 0.374(11) 1 calc PR J 2
H15N H 0.2328 0.7413 0.8812 0.252 Uiso 0.374(11) 1 calc PR J 2
O62 O -0.2305(4) 0.9081(2) 0.9694(3) 0.101(3) Uani 0.624(12) 1 d PD . 1
C145 C -0.2130(11) 0.9431(5) 0.9990(10) 0.178 Uani 0.624(12) 1 d PD . 1
H14O H -0.1683 0.9514 0.9941 0.214 Uiso 0.624(12) 1 calc PR . 1
H14P H -0.2100 0.9381 1.0378 0.214 Uiso 0.624(12) 1 calc PR . 1
C146 C -0.2643(12) 0.9759(6) 0.9813(12) 0.232 Uani 0.624(12) 1 d PD . 1
H14Q H -0.2438 0.9971 0.9652 0.278 Uiso 0.624(12) 1 calc PR . 1
H14R H -0.2836 0.9852 1.0116 0.278 Uiso 0.624(12) 1 calc PR . 1
C147 C -0.3194(7) 0.9539(3) 0.9371(4) 0.066(3) Uani 0.624(12) 1 d P . 1
H14S H -0.3656 0.9607 0.9399 0.080 Uiso 0.624(12) 1 calc PR . 1
H14T H -0.3130 0.9585 0.9001 0.080 Uiso 0.624(12) 1 calc PR . 1
C148 C -0.3027(5) 0.9135(3) 0.9546(6) 0.094(4) Uani 0.624(12) 1 d PD . 1
H14U H -0.3233 0.9074 0.9857 0.112 Uiso 0.624(12) 1 calc PR . 1
H14V H -0.3216 0.8961 0.9249 0.112 Uiso 0.624(12) 1 calc PR . 1
O65 O -0.3083(18) 0.9185(9) 0.9667(19) 0.326 Uani 0.376(12) 1 d PD . 2
C157 C -0.2454(14) 0.9355(6) 0.9989(13) 0.20(2) Uani 0.376(12) 1 d PD . 2
H15O H -0.2046 0.9217 0.9946 0.238 Uiso 0.376(12) 1 calc PR . 2
H15P H -0.2467 0.9383 1.0374 0.238 Uiso 0.376(12) 1 calc PR . 2
C158 C -0.2544(8) 0.9747(6) 0.9670(7) 0.085(5) Uani 0.376(12) 1 d PD . 2
H15Q H -0.2300 0.9958 0.9878 0.103 Uiso 0.376(12) 1 calc PR . 2
H15R H -0.2429 0.9731 0.9310 0.103 Uiso 0.376(12) 1 calc PR . 2
C159 C -0.3295(13) 0.9759(10) 0.9649(12) 0.335 Uani 0.376(12) 1 d PD . 2
H15S H -0.3420 0.9735 1.0004 0.401 Uiso 0.376(12) 1 calc PR . 2
H15T H -0.3524 0.9976 0.9446 0.401 Uiso 0.376(12) 1 calc PR . 2
C160 C -0.3349(18) 0.9398(13) 0.9333(15) 0.29(4) Uani 0.376(12) 1 d PD . 2
H16I H -0.3821 0.9327 0.9195 0.345 Uiso 0.376(12) 1 calc PR . 2
H16J H -0.3111 0.9415 0.9031 0.345 Uiso 0.376(12) 1 calc PR . 2
O59 O -0.6549(5) 0.8764(3) 0.6745(3) 0.0774(18) Uani 0.850(12) 1 d P K 1
C133 C -0.6822(3) 0.90601(17) 0.7023(3) 0.0653(19) Uani 0.850(12) 1 d P K 1
H13M H -0.7311 0.9084 0.6895 0.078 Uiso 0.850(12) 1 calc PR K 1
H13N H -0.6607 0.9306 0.6981 0.078 Uiso 0.850(12) 1 calc PR K 1
C134 C -0.6644(5) 0.8917(4) 0.7620(4) 0.109(4) Uani 0.850(12) 1 d P K 1
H13O H -0.6186 0.8994 0.7797 0.131 Uiso 0.850(12) 1 calc PR K 1
H13P H -0.6967 0.9011 0.7832 0.131 Uiso 0.850(12) 1 calc PR K 1
C135 C -0.6694(3) 0.8501(3) 0.7549(3) 0.087(3) Uani 0.850(12) 1 d P K 1
H13Q H -0.7165 0.8416 0.7490 0.105 Uiso 0.850(12) 1 calc PR K 1
H13R H -0.6435 0.8368 0.7867 0.105 Uiso 0.850(12) 1 calc PR K 1
C136 C -0.6404(4) 0.84307(18) 0.7065(3) 0.077(2) Uani 0.850(12) 1 d P K 1
H13S H -0.5916 0.8389 0.7168 0.093 Uiso 0.850(12) 1 calc PR K 1
H13T H -0.6613 0.8207 0.6867 0.093 Uiso 0.850(12) 1 calc PR K 1
O66 O -0.659(3) 0.8534(16) 0.7188(19) 0.256 Uani 0.150(12) 1 d PD K 2
C161 C -0.671(5) 0.8663(19) 0.773(3) 0.224 Uani 0.150(12) 1 d P K 2
H16K H -0.6333 0.8597 0.8032 0.268 Uiso 0.150(12) 1 calc PR K 2
H16L H -0.7138 0.8576 0.7813 0.268 Uiso 0.150(12) 1 calc PR K 2
C162 C -0.671(2) 0.9130(18) 0.756(3) 0.125 Uani 0.150(12) 1 d PD K 2
H16M H -0.6271 0.9247 0.7687 0.150 Uiso 0.150(12) 1 calc PR K 2
H16N H -0.7055 0.9271 0.7704 0.150 Uiso 0.150(12) 1 calc PR K 2
C163 C -0.692(6) 0.912(3) 0.682(4) 0.240 Uani 0.150(12) 1 d P K 2
H16O H -0.7414 0.9128 0.6682 0.289 Uiso 0.150(12) 1 calc PR K 2
H16P H -0.6717 0.9337 0.6662 0.289 Uiso 0.150(12) 1 calc PR K 2
C164 C -0.662(3) 0.8742(12) 0.6694(19) 0.037 Uani 0.150(12) 1 d PD K 2
H16Q H -0.6903 0.8614 0.6386 0.045 Uiso 0.150(12) 1 calc PR K 2
H16R H -0.6163 0.8777 0.6619 0.045 Uiso 0.150(12) 1 calc PR K 2
O57 O -0.3050(3) 0.84601(15) 0.5968(2) 0.0921(17) Uani 0.771(5) 1 d P L 1
C125 C -0.3322(7) 0.8410(3) 0.5366(5) 0.136(4) Uani 0.771(5) 1 d P L 1
H12K H -0.3816 0.8397 0.5284 0.163 Uiso 0.771(5) 1 calc PR L 1
H12L H -0.3174 0.8617 0.5156 0.163 Uiso 0.771(5) 1 calc PR L 1
C126 C -0.3017(7) 0.8046(4) 0.5262(6) 0.162 Uani 0.771(5) 1 d PD L 1
H12M H -0.2541 0.8076 0.5242 0.194 Uiso 0.771(5) 1 calc PR L 1
H12N H -0.3261 0.7929 0.4926 0.194 Uiso 0.771(5) 1 calc PR L 1
C127 C -0.3097(7) 0.7810(4) 0.5763(7) 0.141(6) Uani 0.771(5) 1 d PD L 1
H12O H -0.3563 0.7724 0.5735 0.169 Uiso 0.771(5) 1 calc PR L 1
H12P H -0.2795 0.7589 0.5812 0.169 Uiso 0.771(5) 1 calc PR L 1
C128 C -0.2907(6) 0.8082(3) 0.6201(5) 0.129(5) Uani 0.771(5) 1 d P L 1
H12Q H -0.2426 0.8058 0.6363 0.155 Uiso 0.771(5) 1 calc PR L 1
H12R H -0.3168 0.8037 0.6484 0.155 Uiso 0.771(5) 1 calc PR L 1
O71 O -0.227(2) 0.7746(6) 0.6328(11) 0.200 Uani 0.229(5) 1 d PD L 2
C178 C -0.2670(11) 0.7609(10) 0.4837(10) 0.125 Uani 0.229(5) 1 d PD L 2
H17M H -0.2485 0.7361 0.4782 0.188 Uiso 0.229(5) 1 calc PR L 2
H17N H -0.2449 0.7802 0.4657 0.188 Uiso 0.229(5) 1 calc PR L 2
H17O H -0.3151 0.7610 0.4686 0.188 Uiso 0.229(5) 1 calc PR L 2
N4 N -0.256(2) 0.7689(9) 0.5397(11) 0.162 Uani 0.229(5) 1 d PD L 2
C177 C -0.2031(19) 0.7699(13) 0.5892(14) 0.169 Uani 0.229(5) 1 d PD L 2
H177 H -0.1568 0.7674 0.5891 0.203 Uiso 0.229(5) 1 calc PR L 2
C179 C -0.318(3) 0.7768(14) 0.5635(15) 0.173 Uani 0.229(5) 1 d PD L 2
H17P H -0.3562 0.7820 0.5344 0.260 Uiso 0.229(5) 1 calc PR L 2
H17Q H -0.3094 0.7986 0.5875 0.260 Uiso 0.229(5) 1 calc PR L 2
H17R H -0.3276 0.7547 0.5838 0.260 Uiso 0.229(5) 1 calc PR L 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C6 C1 C2 119.8(3) . .
C6 C1 C21 123.1(3) . .
C2 C1 C21 117.1(3) . .
C3 C2 C1 120.3(3) . .
O2 C3 C2 126.9(3) . .
O2 C3 C4 113.1(3) . .
C2 C3 C4 120.0(3) . .
C5 C4 O1 127.5(3) . .
C5 C4 C3 120.6(3) . .
O1 C4 C3 111.9(3) . .
C4 C5 C6 120.2(3) . .
C1 C6 C5 119.2(3) . .
C1 C6 C7 123.2(3) . .
C5 C6 C7 117.5(3) . .
C6 C7 C8 112.1(3) . .
C13 C8 C9 119.6(3) . .
C13 C8 C7 124.0(3) . .
C9 C8 C7 116.4(3) . .
C10 C9 C8 119.7(3) . .
O6 C10 C9 126.6(3) . .
O6 C10 C11 112.8(3) . .
C9 C10 C11 120.5(3) . .
O5 C11 C12 127.7(3) . .
O5 C11 C10 112.0(3) . .
C12 C11 C10 120.3(3) . .
C11 C12 C13 120.3(3) . .
C12 C13 C8 119.4(3) . .
C12 C13 C14 117.7(3) . .
C8 C13 C14 122.9(3) . .
C15 C14 C13 112.8(3) . .
C16 C15 C20 119.6(3) . .
C16 C15 C14 117.3(3) . .
C20 C15 C14 123.1(3) . .
C17 C16 C15 119.4(3) . .
O14 C17 C16 126.7(3) . .
O14 C17 C18 112.7(3) . .
C16 C17 C18 120.6(3) . .
O13 C18 C19 126.3(3) . .
O13 C18 C17 112.6(3) . .
C19 C18 C17 121.1(3) . .
C18 C19 C20 119.7(3) . .
C19 C20 C15 119.6(3) . .
C19 C20 C21 116.8(3) . .
C15 C20 C21 123.6(3) . .
C20 C21 C1 112.3(3) . .
C27 C22 C23 120.0(3) . .
C27 C22 C42 122.8(3) . .
C23 C22 C42 117.1(3) . .
C24 C23 C22 119.3(3) . .
O7 C24 C23 126.7(3) . .
O7 C24 C25 112.6(3) . .
C23 C24 C25 120.6(3) . .
C26 C25 C24 121.2(3) . .
C26 C25 O8 126.1(3) . .
C24 C25 O8 112.7(3) . .
C25 C26 C27 119.2(3) . .
C22 C27 C26 119.5(3) . .
C22 C27 C28 123.7(3) . .
C26 C27 C28 116.8(3) . .
C29 C28 C27 113.1(3) . .
C34 C29 C30 119.8(3) . .
C34 C29 C28 123.2(3) . .
C30 C29 C28 116.9(3) . .
C31 C30 C29 119.6(3) . .
C30 C31 O10 126.8(3) . .
C30 C31 C32 120.7(3) . .
O10 C31 C32 112.5(3) . .
O9 C32 C33 126.2(3) . .
O9 C32 C31 112.8(3) . .
C33 C32 C31 121.0(3) . .
C32 C33 C34 119.1(3) . .
C29 C34 C33 119.7(3) . .
C29 C34 C35 123.0(3) . .
C33 C34 C35 117.1(3) . .
C34 C35 C36 112.5(3) . .
C41 C36 C37 118.9(3) . .
C41 C36 C35 124.2(3) . .
C37 C36 C35 116.8(3) . .
C38 C37 C36 120.0(3) . .
O19 C38 C37 126.8(3) . .
O19 C38 C39 112.6(3) . .
C37 C38 C39 120.6(3) . .
C40 C39 O20 126.6(3) . .
C40 C39 C38 120.6(3) . .
O20 C39 C38 112.8(3) . .
C39 C40 C41 119.8(3) . .
C40 C41 C36 120.1(3) . .
C40 C41 C42 116.5(3) . .
C36 C41 C42 123.4(3) . .
C22 C42 C41 111.3(3) . .
C44 C43 C48 118.9(3) . .
C44 C43 C63 118.1(3) . .
C48 C43 C63 123.0(3) . .
C45 C44 C43 120.3(3) . .
C44 C45 O11 126.8(3) . .
C44 C45 C46 120.8(3) . .
O11 C45 C46 112.3(3) . .
O12 C46 C47 127.0(3) . .
O12 C46 C45 112.7(3) . .
C47 C46 C45 120.3(3) . .
C46 C47 C48 119.6(3) . .
C43 C48 C47 119.9(3) . .
C43 C48 C49 123.4(3) . .
C47 C48 C49 116.6(3) . .
C50 C49 C48 113.0(3) . .
C55 C50 C51 119.4(3) . .
C55 C50 C49 123.5(3) . .
C51 C50 C49 117.0(3) . .
C52 C51 C50 119.7(3) . .
C51 C52 O3 126.8(3) . .
C51 C52 C53 121.2(3) . .
O3 C52 C53 112.0(3) . .
O4 C53 C54 126.5(3) . .
O4 C53 C52 113.2(3) . .
C54 C53 C52 120.3(3) . .
C53 C54 C55 119.5(3) . .
C50 C55 C54 119.9(3) . .
C50 C55 C56 123.0(3) . .
C54 C55 C56 117.0(3) . .
C55 C56 C57 112.0(3) . .
C62 C57 C58 119.9(3) . .
C62 C57 C56 123.1(3) . .
C58 C57 C56 116.9(3) . .
C59 C58 C57 119.7(3) . .
C58 C59 O23 126.4(3) . .
C58 C59 C60 121.0(3) . .
O23 C59 C60 112.5(3) . .
O24 C60 C61 127.5(3) . .
O24 C60 C59 112.5(3) . .
C61 C60 C59 120.0(3) . .
C60 C61 C62 120.5(3) . .
C57 C62 C61 118.9(3) . .
C57 C62 C63 123.6(3) . .
C61 C62 C63 117.5(3) . .
C62 C63 C43 113.1(3) . .
C69 C64 C65 119.9(3) . .
C69 C64 C84 123.7(3) . .
C65 C64 C84 116.3(3) . .
C66 C65 C64 118.8(3) . .
O15 C66 C65 126.3(3) . .
O15 C66 C67 112.1(3) . .
C65 C66 C67 121.6(3) . .
O16 C67 C68 127.1(3) . .
O16 C67 C66 112.8(3) . .
C68 C67 C66 120.1(3) . .
C67 C68 C69 120.0(3) . .
C64 C69 C68 119.5(3) . .
C64 C69 C70 123.7(3) . .
C68 C69 C70 116.8(3) . .
C71 C70 C69 112.2(3) . .
C76 C71 C72 118.9(3) . .
C76 C71 C70 124.0(3) . .
C72 C71 C70 117.1(3) . .
C73 C72 C71 119.8(3) . .
O18 C73 C74 112.8(3) . .
O18 C73 C72 126.7(3) . .
C74 C73 C72 120.5(3) . .
O17 C74 C75 126.4(3) . .
O17 C74 C73 112.7(3) . .
C75 C74 C73 120.9(3) . .
C74 C75 C76 119.7(3) . .
C71 C76 C75 120.2(3) . .
C71 C76 C77 122.5(3) . .
C75 C76 C77 117.1(3) . .
C76 C77 C78 112.5(3) . .
C83 C78 C79 119.9(3) . .
C83 C78 C77 123.1(3) . .
C79 C78 C77 116.9(3) . .
C80 C79 C78 119.5(3) . .
C79 C80 O22 126.5(3) . .
C79 C80 C81 121.0(3) . .
O22 C80 C81 112.4(3) . .
O21 C81 C82 126.9(3) . .
O21 C81 C80 112.5(3) . .
C82 C81 C80 120.6(3) . .
C81 C82 C83 119.1(3) . .
C78 C83 C82 119.8(3) . .
C78 C83 C84 123.6(3) . .
C82 C83 C84 116.5(3) . .
C64 C84 C83 112.3(3) . .
C102 C97 C98 116.0(4) . .
C102 C97 Si2 120.9(3) . .
C98 C97 Si2 122.7(3) . .
C99 C98 C97 121.7(4) . .
C98 C99 C100 120.3(4) . .
C101 C100 C99 119.5(4) . .
C100 C101 C102 120.3(4) . .
C101 C102 C97 122.1(4) . .
C108 C103 C104 115.9(4) . .
C108 C103 Si4 121.5(3) . .
C104 C103 Si4 122.6(3) . .
C105 C104 C103 122.3(4) . .
C106 C105 C104 119.9(5) . .
C107 C106 C105 119.2(5) . .
C106 C107 C108 120.2(5) . .
C103 C108 C107 122.4(5) . .
C114 C109 C110 116.7(4) . .
C114 C109 Si5 121.2(3) . .
C110 C109 Si5 121.9(3) . .
C111 C110 C109 121.1(5) . .
C112 C111 C110 119.8(5) . .
C113 C112 C111 120.5(5) . .
C112 C113 C114 119.1(6) . .
C113 C114 C109 122.7(5) . .
C120 C115 C116 116.5(4) . .
C120 C115 Si6 121.4(3) . .
C116 C115 Si6 122.1(3) . .
C117 C116 C115 121.8(4) . .
C118 C117 C116 120.3(4) . .
C119 C118 C117 119.0(4) . .
C118 C119 C120 120.6(4) . .
C115 C120 C119 121.7(4) . .
C4 O1 Si1 112.5(2) . .
C4 O1 Na1 135.5(2) . .
Si1 O1 Na1 107.15(12) . .
C3 O2 Si1 113.0(2) . .
C52 O3 Si1 112.2(2) . .
C52 O3 Na1 136.3(2) . .
Si1 O3 Na1 110.16(12) . .
C53 O4 Si1 111.9(2) . .
C11 O5 Si2 113.2(2) . .
C11 O5 Na3 144.6(2) . .
Si2 O5 Na3 101.85(11) . .
C10 O6 Si2 112.3(2) . .
C24 O7 Si2 113.1(2) . .
C24 O7 Na3 136.0(2) . .
Si2 O7 Na3 110.65(12) . .
C25 O8 Si2 112.0(2) . .
C32 O9 Si3 112.4(2) . .
C31 O10 Si3 112.6(2) . .
C45 O11 Si3 112.9(2) . .
C46 O12 Si3 113.6(2) . .
C18 O13 Si4 112.3(2) . .
C18 O13 Na6A 140.8(2) . .
Si4 O13 Na6A 103.08(14) . .
C18 O13 Na5B 115.8(3) . 4_575
Si4 O13 Na5B 117.2(2) . 4_575
Na6A O13 Na5B 57.10(19) . 4_575
C17 O14 Si4 112.5(2) . .
C17 O14 Na3 138.9(2) . 3_576
Si4 O14 Na3 107.04(12) . 3_576
C66 O15 Si4 113.2(2) . .
C66 O15 Na6A 130.7(2) . .
Si4 O15 Na6A 114.19(16) . .
C67 O16 Si4 113.3(2) . .
C67 O16 Na3 132.4(2) . 3_576
Si4 O16 Na3 109.68(12) . 3_576
C74 O17 Si5 111.8(2) . .
C74 O17 Na6B 135.3(2) . .
Si5 O17 Na6B 108.50(16) . .
C73 O18 Si5 113.4(2) . .
C38 O19 Si5 111.3(2) . .
C38 O19 Na6B 139.2(2) . .
Si5 O19 Na6B 109.44(16) . .
C39 O20 Si5 111.0(2) . .
C81 O21 Si6 112.2(2) . .
C81 O21 Na4B 139.0(3) . .
Si6 O21 Na4B 107.93(18) . .
C81 O21 Na4A 147.1(2) . .
Si6 O21 Na4A 99.06(16) . .
Na4B O21 Na4A 20.52(14) . .
C80 O22 Si6 112.5(2) . .
C80 O22 Na5A 129.7(2) . .
Si6 O22 Na5A 111.40(15) . .
C80 O22 Na5B 127.3(3) . .
Si6 O22 Na5B 120.1(2) . .
Na5A O22 Na5B 22.95(16) . .
C59 O23 Si6 112.8(2) . .
C59 O23 Na4A 139.9(3) . .
Si6 O23 Na4A 104.75(17) . .
C59 O23 Na4B 138.9(3) . .
Si6 O23 Na4B 107.74(17) . .
Na4A O23 Na4B 21.07(14) . .
C60 O24 Si6 112.6(2) . .
C60 O24 Na5A 131.7(2) . .
Si6 O24 Na5A 103.29(14) . .
Na1 O25 Na2 91.75(11) . .
Na1 O26 Na2 89.70(10) . .
Na2 O29 Na2 90.74(10) . 3_476
O3 Na1 O25 124.71(12) . .
O3 Na1 O26 130.40(11) . .
O25 Na1 O26 89.00(11) . .
O3 Na1 O1 59.40(9) . .
O25 Na1 O1 91.36(11) . .
O26 Na1 O1 88.04(10) . .
O3 Na1 O27 105.81(11) . .
O25 Na1 O27 114.83(11) . .
O26 Na1 O27 86.58(11) . .
O1 Na1 O27 153.12(12) . .
O3 Na1 Si1 29.37(6) . .
O25 Na1 Si1 109.40(9) . .
O26 Na1 Si1 111.58(8) . .
O1 Na1 Si1 30.06(6) . .
O27 Na1 Si1 132.30(9) . .
O3 Na1 Na2 160.87(9) . .
O25 Na1 Na2 45.10(8) . .
O26 Na1 Na2 46.65(7) . .
O1 Na1 Na2 102.14(8) . .
O27 Na1 Na2 93.14(8) . .
Si1 Na1 Na2 131.90(6) . .
O30B Na2 O29 108.1(4) . .
O30B Na2 O30A 20.6(3) . .
O29 Na2 O30A 87.78(18) . .
O30B Na2 O29 161.6(4) . 3_476
O29 Na2 O29 89.26(10) . 3_476
O30A Na2 O29 170.30(19) . 3_476
O30B Na2 O28 94.0(2) . .
O29 Na2 O28 90.34(10) . .
O30A Na2 O28 91.20(19) . .
O29 Na2 O28 79.58(9) 3_476 .
O30B Na2 O25 80.7(4) . .
O29 Na2 O25 167.60(12) . .
O30A Na2 O25 101.28(19) . .
O29 Na2 O25 83.13(11) 3_476 .
O28 Na2 O25 97.86(10) . .
O30B Na2 O26 104.3(2) . .
O29 Na2 O26 85.05(10) . .
O30A Na2 O26 106.32(19) . .
O29 Na2 O26 82.61(9) 3_476 .
O28 Na2 O26 161.66(11) . .
O25 Na2 O26 84.27(10) . .
O30B Na2 Na2 152.8(4) . 3_476
O29 Na2 Na2 45.22(7) . 3_476
O30A Na2 Na2 132.28(19) . 3_476
O29 Na2 Na2 44.04(7) 3_476 3_476
O28 Na2 Na2 82.86(8) . 3_476
O25 Na2 Na2 126.44(11) . 3_476
O26 Na2 Na2 81.30(8) . 3_476
O30B Na2 Na1 104.2(3) . .
O29 Na2 Na1 124.74(8) . .
O30A Na2 Na1 120.23(18) . .
O29 Na2 Na1 68.83(7) 3_476 .
O28 Na2 Na1 130.71(9) . .
O25 Na2 Na1 43.15(8) . .
O26 Na2 Na1 43.65(7) . .
Na2 Na2 Na1 98.04(6) 3_476 .
O32A Na3 O31 107.5(2) . .
O32A Na3 O7 88.4(2) . .
O31 Na3 O7 140.38(14) . .
O32A Na3 O16 160.31(19) . 3_576
O31 Na3 O16 83.97(12) . 3_576
O7 Na3 O16 92.62(10) . 3_576
O32A Na3 O32B 18.7(2) . .
O31 Na3 O32B 97.1(3) . .
O7 Na3 O32B 105.8(3) . .
O16 Na3 O32B 147.8(3) 3_576 .
O32A Na3 O14 102.19(19) . 3_576
O31 Na3 O14 108.93(14) . 3_576
O7 Na3 O14 102.42(10) . 3_576
O16 Na3 O14 58.39(9) 3_576 3_576
O32B Na3 O14 91.5(3) . 3_576
O32A Na3 O5 82.4(2) . .
O31 Na3 O5 89.75(14) . .
O7 Na3 O5 55.82(8) . .
O16 Na3 O5 114.26(10) 3_576 .
O32B Na3 O5 97.9(3) . .
O14 Na3 O5 157.94(10) 3_576 .
O32A Na3 Si4 131.41(18) . 3_576
O31 Na3 Si4 98.37(11) . 3_576
O7 Na3 Si4 97.18(8) . 3_576
O16 Na3 Si4 29.00(6) 3_576 3_576
O32B Na3 Si4 120.5(3) . 3_576
O14 Na3 Si4 29.45(6) 3_576 3_576
O5 Na3 Si4 139.03(8) . 3_576
O32A Na3 Si2 94.4(2) . .
O31 Na3 Si2 112.23(13) . .
O7 Na3 Si2 28.70(6) . .
O16 Na3 Si2 95.96(8) 3_576 .
O32B Na3 Si2 112.9(3) . .
O14 Na3 Si2 128.06(8) 3_576 .
O5 Na3 Si2 30.04(6) . .
Si4 Na3 Si2 113.10(5) 3_576 .
O2 Si1 O4 85.08(12) . .
O2 Si1 O3 148.93(13) . .
O4 Si1 O3 88.47(12) . .
O2 Si1 O1 88.74(12) . .
O4 Si1 O1 152.67(13) . .
O3 Si1 O1 83.21(12) . .
O2 Si1 C85A 105.35(15) . .
O4 Si1 C85A 102.20(17) . .
O3 Si1 C85A 105.73(15) . .
O1 Si1 C85A 105.11(17) . .
O2 Si1 Na1 125.73(9) . .
O4 Si1 Na1 124.98(9) . .
O3 Si1 Na1 40.47(9) . .
O1 Si1 Na1 42.78(8) . .
C85A Si1 Na1 109.36(13) . .
O5 Si2 O7 83.81(12) . .
O5 Si2 O6 88.64(12) . .
O7 Si2 O6 153.88(13) . .
O5 Si2 O8 148.73(14) . .
O7 Si2 O8 88.24(11) . .
O6 Si2 O8 85.34(11) . .
O5 Si2 C97 109.65(15) . .
O7 Si2 C97 105.10(14) . .
O6 Si2 C97 101.00(15) . .
O8 Si2 C97 101.62(15) . .
O5 Si2 Na3 48.11(9) . .
O7 Si2 Na3 40.65(8) . .
O6 Si2 Na3 136.66(9) . .
O8 Si2 Na3 128.71(9) . .
C97 Si2 Na3 97.25(12) . .
O12 Si3 O9 146.85(14) . .
O12 Si3 O10 84.54(12) . .
O9 Si3 O10 88.34(12) . .
O12 Si3 O11 88.09(12) . .
O9 Si3 O11 83.92(13) . .
O10 Si3 O11 153.32(14) . .
O12 Si3 C91 105.75(16) . .
O9 Si3 C91 107.41(16) . .
O10 Si3 C91 101.88(19) . .
O11 Si3 C91 104.80(19) . .
O14 Si4 O13 88.32(12) . .
O14 Si4 O16 84.72(12) . .
O13 Si4 O16 153.39(14) . .
O14 Si4 O15 147.90(14) . .
O13 Si4 O15 84.47(12) . .
O16 Si4 O15 87.89(12) . .
O14 Si4 C103 106.59(15) . .
O13 Si4 C103 102.29(16) . .
O16 Si4 C103 104.31(15) . .
O15 Si4 C103 105.51(15) . .
O14 Si4 Na6A 128.47(11) . .
O13 Si4 Na6A 46.83(11) . .
O16 Si4 Na6A 122.58(11) . .
O15 Si4 Na6A 37.74(11) . .
C103 Si4 Na6A 106.83(14) . .
O14 Si4 Na3 43.51(9) . 3_576
O13 Si4 Na3 127.95(10) . 3_576
O16 Si4 Na3 41.31(9) . 3_576
O15 Si4 Na3 123.76(10) . 3_576
C103 Si4 Na3 108.82(12) . 3_576
Na6A Si4 Na3 143.87(8) . 3_576
O18 Si5 O19 146.39(14) . .
O18 Si5 O20 84.93(12) . .
O19 Si5 O20 88.39(12) . .
O18 Si5 O17 88.68(12) . .
O19 Si5 O17 83.48(12) . .
O20 Si5 O17 154.69(14) . .
O18 Si5 C109 109.12(16) . .
O19 Si5 C109 104.49(16) . .
O20 Si5 C109 102.17(15) . .
O17 Si5 C109 103.06(16) . .
O18 Si5 Na6B 125.89(12) . .
O19 Si5 Na6B 41.60(11) . .
O20 Si5 Na6B 127.76(12) . .
O17 Si5 Na6B 42.26(11) . .
C109 Si5 Na6B 104.20(15) . .
O22 Si6 O23 147.92(14) . .
O22 Si6 O24 84.50(12) . .
O23 Si6 O24 88.51(12) . .
O22 Si6 O21 88.14(12) . .
O23 Si6 O21 83.95(12) . .
O24 Si6 O21 152.82(14) . .
O22 Si6 C115 106.59(15) . .
O23 Si6 C115 105.46(15) . .
O24 Si6 C115 105.20(15) . .
O21 Si6 C115 101.98(15) . .
O22 Si6 Na4A 136.51(14) . .
O23 Si6 Na4A 43.75(12) . .
O24 Si6 Na4A 132.04(13) . .
O21 Si6 Na4A 48.42(12) . .
C115 Si6 Na4A 87.64(15) . .
O22 Si6 Na5A 39.59(10) . .
O23 Si6 Na5A 121.03(11) . .
O24 Si6 Na5A 46.08(10) . .
O21 Si6 Na5A 118.28(11) . .
C115 Si6 Na5A 119.51(13) . .
Na4A Si6 Na5A 152.84(12) . .
O22 Si6 Na4B 126.90(14) . .
O23 Si6 Na4B 42.58(12) . .
O24 Si6 Na4B 128.99(13) . .
O21 Si6 Na4B 42.18(12) . .
C115 Si6 Na4B 102.12(16) . .
Na4A Si6 Na4B 14.87(10) . .
Na5A Si6 Na4B 138.17(14) . .
C185 C180 C181 113.2(13) . .
C182 C181 C180 131.0(19) . .
C181 C182 C183 111.6(18) . .
C182 C183 C184 118.9(14) . .
C185 C184 C183 122.8(15) . .
C180 C185 C184 121.5(15) . .
O68 C169 N1 123.4(15) . .
C169 N1 C170 118.2(12) . .
C169 N1 C171 117.5(14) . .
C170 N1 C171 123.0(10) . .
N3 C171 N1 10(2) . .
C90B C85A C86B 103.9(14) . .
C90B C85A C90A 9.8(19) . .
C86B C85A C90A 111.6(8) . .
C90B C85A C86A 109.4(15) . .
C86B C85A C86A 38.4(7) . .
C90A C85A C86A 119.2(10) . .
C90B C85A Si1 128.1(13) . .
C86B C85A Si1 124.7(7) . .
C90A C85A Si1 118.7(7) . .
C86A C85A Si1 119.6(7) . .
C87A C86A C85A 117.9(14) . .
C88A C87A C86A 123.1(16) . .
C87A C88A C89A 121.1(14) . .
C90A C89A C88A 113.7(14) . .
C89A C90A C85A 121.3(13) . .
N3 C172 O70 122(3) . .
C172 N3 C171 112(3) . .
C172 N3 C173 133(4) . .
C171 N3 C173 115(4) . .
C87B C86B C85A 124.8(11) . .
C86B C87B C88B 120.3(12) . .
C89B C88B C87B 114.6(17) . .
C88B C89B C90B 120(3) . .
C85A C90B C89B 133(3) . .
O33A Na4A O23 148.0(7) . .
O33A Na4A O62 104.3(8) . 4_575
O23 Na4A O62 93.0(3) . 4_575
O33A Na4A O21 90.1(6) . .
O23 Na4A O21 58.94(14) . .
O62 Na4A O21 132.6(3) 4_575 .
O33A Na4A O34A 102.7(10) . .
O23 Na4A O34A 102.7(7) . .
O62 Na4A O34A 93.9(8) 4_575 .
O21 Na4A O34A 127.1(7) . .
O33A Na4A O35A 105.6(9) . .
O23 Na4A O35A 76.0(3) . .
O62 Na4A O35A 138.5(6) 4_575 .
O21 Na4A O35A 75.3(5) . .
O34A Na4A O35A 51.8(8) . .
O33A Na4A Si6 116.8(7) . .
O23 Na4A Si6 31.50(9) . .
O62 Na4A Si6 104.7(2) 4_575 .
O21 Na4A Si6 32.52(8) . .
O34A Na4A Si6 129.4(7) . .
O35A Na4A Si6 86.6(3) . .
O22 Na5A O36A 158.4(3) . .
O22 Na5A O69 94.2(2) . .
O36A Na5A O69 105.1(3) . .
O22 Na5A O38A 99.0(2) . .
O36A Na5A O38A 89.9(3) . .
O69 Na5A O38A 92.1(3) . .
O22 Na5A O24 58.93(12) . .
O36A Na5A O24 102.7(3) . .
O69 Na5A O24 117.5(3) . .
O38A Na5A O24 142.5(2) . .
O22 Na5A Si6 29.01(8) . .
O36A Na5A Si6 133.2(3) . .
O69 Na5A Si6 103.2(2) . .
O38A Na5A Si6 125.4(2) . .
O24 Na5A Si6 30.64(7) . .
O22 Na5A Na6A 134.07(18) . 4_576
O36A Na5A Na6A 44.6(2) . 4_576
O69 Na5A Na6A 114.3(2) . 4_576
O38A Na5A Na6A 47.85(19) . 4_576
O24 Na5A Na6A 124.63(16) . 4_576
Si6 Na5A Na6A 141.46(14) . 4_576
Na5A O36A Na6A 93.1(3) . 4_576
Na5A O38A Na6A 88.8(2) . 4_576
O39A Na6A O15 92.1(6) . .
O39A Na6A O36A 103.2(6) . 4_575
O15 Na6A O36A 150.9(3) . 4_575
O39A Na6A O40A 114.5(8) . 4_575
O15 Na6A O40A 99.2(3) . 4_575
O36A Na6A O40A 96.7(3) 4_575 4_575
O39A Na6A O13 83.6(7) . .
O15 Na6A O13 58.10(12) . .
O36A Na6A O13 98.7(2) 4_575 .
O40A Na6A O13 152.7(3) 4_575 .
O39A Na6A O38A 163.5(7) . 4_575
O15 Na6A O38A 76.0(2) . 4_575
O36A Na6A O38A 83.3(3) 4_575 4_575
O40A Na6A O38A 79.2(3) 4_575 4_575
O13 Na6A O38A 80.4(2) . 4_575
O39A Na6A Si4 89.1(6) . .
O15 Na6A Si4 28.07(8) . .
O36A Na6A Si4 126.2(2) 4_575 .
O40A Na6A Si4 125.4(3) 4_575 .
O13 Na6A Si4 30.09(7) . .
O38A Na6A Si4 75.00(18) 4_575 .
O39A Na6A Na5A 136.6(7) . 4_575
O15 Na6A Na5A 111.03(18) . 4_575
O36A Na6A Na5A 42.26(19) 4_575 4_575
O40A Na6A Na5A 97.9(3) 4_575 4_575
O13 Na6A Na5A 78.98(14) . 4_575
O38A Na6A Na5A 43.31(16) 4_575 4_575
Si4 Na6A Na5A 94.95(13) . 4_575
C174 O69 Na5A 130.7(6) . .
O69 C174 N2 124.1(10) . .
C175 N2 C176 118.5(9) . .
C175 N2 C174 119.8(10) . .
C176 N2 C174 121.7(9) . .
O35B Na4B O34B 61.0(10) . .
O35B Na4B O21 144.6(11) . .
O34B Na4B O21 148.9(4) . .
O35B Na4B O23 128.0(5) . .
O34B Na4B O23 91.8(3) . .
O21 Na4B O23 59.06(14) . .
O35B Na4B O33B 97.8(5) . .
O34B Na4B O33B 105.6(4) . .
O21 Na4B O33B 89.9(3) . .
O23 Na4B O33B 133.5(4) . .
O35B Na4B Si6 149.0(7) . .
O34B Na4B Si6 119.5(4) . .
O21 Na4B Si6 29.89(9) . .
O23 Na4B Si6 29.68(9) . .
O33B Na4B Si6 110.6(3) . .
O36B Na5B O22 101.8(6) . .
O36B Na5B O13 122.6(7) . 4_576
O22 Na5B O13 117.4(3) . 4_576
O36B Na5B O38B 111.8(6) . .
O22 Na5B O38B 109.6(3) . .
O13 Na5B O38B 93.3(3) 4_576 .
Na6B O38B Na5B 114.1(4) . .
O41C Na6B O38B 106.7(5) . .
O41C Na6B O41B 25.2(8) . .
O38B Na6B O41B 93.8(4) . .
O41C Na6B O40B 71.7(10) . .
O38B Na6B O40B 96.4(4) . .
O41B Na6B O40B 94.4(5) . .
O41C Na6B O19 90.4(5) . .
O38B Na6B O19 156.0(3) . .
O41B Na6B O19 95.1(4) . .
O40B Na6B O19 105.0(4) . .
O41C Na6B O17 118.4(9) . .
O38B Na6B O17 98.5(3) . .
O41B Na6B O17 100.4(4) . .
O40B Na6B O17 158.2(4) . .
O19 Na6B O17 57.97(13) . .
O41C Na6B O50B 144.2(11) . .
O38B Na6B O50B 84.7(7) . .
O41B Na6B O50B 167.3(7) . .
O40B Na6B O50B 73.3(7) . .
O19 Na6B O50B 91.3(6) . .
O17 Na6B O50B 92.3(6) . .
O41C Na6B Si5 103.6(7) . .
O38B Na6B Si5 127.8(3) . .
O41B Na6B Si5 96.1(3) . .
O40B Na6B Si5 133.5(4) . .
O19 Na6B Si5 28.96(8) . .
O17 Na6B Si5 29.24(8) . .
O50B Na6B Si5 94.8(5) . .
O41C O41B Na6B 68.4(14) . .
O41B O41C Na6B 86.4(14) . .
C92B C91 C96A 101.5(18) . .
C92B C91 C92A 15(2) . .
C96A C91 C92A 116.2(6) . .
C92B C91 C96B 105(4) . .
C96A C91 C96B 24(3) . .
C92A C91 C96B 117(4) . .
C92B C91 Si3 135.3(18) . .
C96A C91 Si3 122.9(5) . .
C92A C91 Si3 120.9(5) . .
C96B C91 Si3 117(3) . .
C93A C92A C91 124.4(9) . .
C92A C93A C94A 116.5(12) . .
C95A C94A C93A 120.9(10) . .
C94A C95A C96A 120.2(12) . .
C91 C96A C95A 121.7(11) . .
C91 C92B C93B 129(3) . .
C92B C93B C94B 111(4) . .
C95B C94B C93B 125(5) . .
C94B C95B C96B 116(5) . .
C95B C96B C91 127(6) . .
C121 O56 C124 106.3(11) . .
O56 C121 C122 108.2(6) . .
C123 C122 C121 105.7(8) . .
C122 C123 C124 108.0(10) . .
C123 C124 O56 110.9(15) . .
C165 O67 C168 110(2) . .
O67 C165 C166 105(2) . .
C167 C166 C165 111(2) . .
C166 C167 C168 101.8(18) . .
O67 C168 C167 105.1(19) . .
C187 C186 C191 113.5(19) . .
C188 C187 C186 120(2) . .
C187 C188 C189 125.5(19) . .
C190 C189 C188 115.7(16) . .
C191 C190 C189 114.1(19) . .
C190 C191 C186 129(2) . .
C197 C192 C193 121.2(19) . .
C194 C193 C192 117.3(17) . .
C193 C194 C195 122.4(15) . .
C196 C195 C194 121.3(15) . .
C195 C196 C197 115.1(19) . .
C192 C197 C196 119.9(19) . .
C129 O58 C132 111.6(9) . .
O58 C129 C130 103.9(10) . .
C129 C130 C131 105.9(9) . .
C132 C131 C130 101.7(9) . .
O58 C132 C131 108.3(8) . .
C140 O60 C137 105.2(7) . .
C138 C137 O60 107.4(8) . .
C137 C138 C139 107.7(9) . .
C140 C139 C138 104.1(9) . .
O60 C140 C139 110.0(8) . .
C152 O63 C149 112(3) . .
O63 C149 C150 85(4) . .
C151 C150 C149 103(7) . .
C150 C151 C152 108(6) . .
O63 C152 C151 104(3) . .
C144 O61 C141 110.5(7) . .
C142 C141 O61 102.8(9) . .
C141 C142 C143 107.3(10) . .
C144 C143 C142 103.1(8) . .
O61 C144 C143 109.2(9) . .
C156 O64 C153 94(2) . .
C154 C153 O64 97(2) . .
C153 C154 C155 109(3) . .
C156 C155 C154 95(3) . .
O64 C156 C155 91(4) . .
C145 O62 C148 98.7(11) . .
C145 O62 Na4A 125.7(8) . 4_576
C148 O62 Na4A 131.3(7) . 4_576
O62 C145 C146 113.7(14) . .
C145 C146 C147 100.0(14) . .
C148 C147 C146 99.7(12) . .
O62 C148 C147 110.7(9) . .
C160 O65 C157 111(2) . .
O65 C157 C158 94.2(16) . .
C159 C158 C157 93.2(17) . .
C160 C159 C158 87.7(16) . .
O65 C160 C159 101(3) . .
C136 O59 C133 112.4(7) . .
O59 C133 C134 101.5(6) . .
C135 C134 C133 101.9(6) . .
C134 C135 C136 103.7(6) . .
O59 C136 C135 105.2(7) . .
C164 O66 C161 131(5) . .
O66 C161 C162 93(6) . .
C161 C162 C163 104(5) . .
C164 C163 C162 101(5) . .
O66 C164 C163 102(6) . .
C128 O57 C125 107.5(8) . .
C126 C125 O57 101.4(9) . .
C125 C126 C127 101.9(12) . .
C128 C127 C126 102.4(8) . .
C127 C128 O57 107.0(10) . .
C178 N4 C177 142(4) . .
C178 N4 C179 117(3) . .
C177 N4 C179 100(3) . .
O71 C177 N4 113(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.397(5) .
C1 C2 1.399(5) .
C1 C21 1.526(4) .
C2 C3 1.381(5) .
C3 O2 1.363(4) .
C3 C4 1.404(5) .
C4 C5 1.358(5) .
C4 O1 1.376(4) .
C5 C6 1.425(5) .
C6 C7 1.520(5) .
C7 C8 1.523(5) .
C8 C13 1.408(5) .
C8 C9 1.414(4) .
C9 C10 1.374(5) .
C10 O6 1.365(4) .
C10 C11 1.401(5) .
C11 O5 1.371(4) .
C11 C12 1.378(5) .
C12 C13 1.401(5) .
C13 C14 1.535(5) .
C14 C15 1.527(5) .
C15 C16 1.409(5) .
C15 C20 1.409(5) .
C16 C17 1.386(5) .
C17 O14 1.362(4) .
C17 C18 1.388(5) .
C18 O13 1.368(4) .
C18 C19 1.370(5) .
C19 C20 1.408(5) .
C20 C21 1.516(5) .
C22 C27 1.402(5) .
C22 C23 1.406(5) .
C22 C42 1.518(5) .
C23 C24 1.376(5) .
C24 O7 1.375(4) .
C24 C25 1.382(5) .
C25 C26 1.378(5) .
C25 O8 1.383(4) .
C26 C27 1.406(5) .
C27 C28 1.520(5) .
C28 C29 1.518(5) .
C29 C34 1.390(5) .
C29 C30 1.414(5) .
C30 C31 1.367(5) .
C31 O10 1.370(4) .
C31 C32 1.386(5) .
C32 O9 1.375(4) .
C32 C33 1.377(5) .
C33 C34 1.414(5) .
C34 C35 1.519(5) .
C35 C36 1.525(5) .
C36 C41 1.407(5) .
C36 C37 1.408(5) .
C37 C38 1.378(5) .
C38 O19 1.370(4) .
C38 C39 1.390(5) .
C39 C40 1.374(5) .
C39 O20 1.375(4) .
C40 C41 1.402(5) .
C41 C42 1.525(5) .
C43 C44 1.399(5) .
C43 C48 1.406(5) .
C43 C63 1.522(5) .
C44 C45 1.372(5) .
C45 O11 1.373(4) .
C45 C46 1.390(5) .
C46 O12 1.362(4) .
C46 C47 1.374(5) .
C47 C48 1.410(5) .
C48 C49 1.529(5) .
C49 C50 1.516(5) .
C50 C55 1.397(5) .
C50 C51 1.406(5) .
C51 C52 1.371(5) .
C52 O3 1.377(4) .
C52 C53 1.389(5) .
C53 O4 1.374(4) .
C53 C54 1.377(5) .
C54 C55 1.413(5) .
C55 C56 1.520(5) .
C56 C57 1.529(5) .
C57 C62 1.402(5) .
C57 C58 1.413(5) .
C58 C59 1.361(5) .
C59 O23 1.369(4) .
C59 C60 1.397(5) .
C60 O24 1.370(4) .
C60 C61 1.374(5) .
C61 C62 1.405(5) .
C62 C63 1.521(5) .
C64 C69 1.406(5) .
C64 C65 1.411(5) .
C64 C84 1.528(5) .
C65 C66 1.377(5) .
C66 O15 1.370(4) .
C66 C67 1.390(5) .
C67 O16 1.359(4) .
C67 C68 1.378(5) .
C68 C69 1.406(5) .
C69 C70 1.514(5) .
C70 C71 1.512(5) .
C71 C76 1.402(5) .
C71 C72 1.418(5) .
C72 C73 1.391(5) .
C73 O18 1.362(4) .
C73 C74 1.383(5) .
C74 O17 1.374(4) .
C74 C75 1.379(5) .
C75 C76 1.410(5) .
C76 C77 1.513(5) .
C77 C78 1.526(5) .
C78 C83 1.400(5) .
C78 C79 1.406(5) .
C79 C80 1.365(5) .
C80 O22 1.370(4) .
C80 C81 1.394(5) .
C81 O21 1.365(4) .
C81 C82 1.381(5) .
C82 C83 1.409(5) .
C83 C84 1.527(5) .
C97 C102 1.402(5) .
C97 C98 1.421(6) .
C97 Si2 1.844(4) .
C98 C99 1.375(6) .
C99 C100 1.402(7) .
C100 C101 1.366(7) .
C101 C102 1.396(6) .
C103 C108 1.379(6) .
C103 C104 1.404(6) .
C103 Si4 1.864(4) .
C104 C105 1.382(6) .
C105 C106 1.376(7) .
C106 C107 1.376(8) .
C107 C108 1.389(7) .
C109 C114 1.387(6) .
C109 C110 1.390(6) .
C109 Si5 1.876(4) .
C110 C111 1.385(7) .
C111 C112 1.373(8) .
C112 C113 1.366(8) .
C113 C114 1.373(7) .
C115 C120 1.383(5) .
C115 C116 1.391(5) .
C115 Si6 1.869(4) .
C116 C117 1.386(6) .
C117 C118 1.374(6) .
C118 C119 1.364(6) .
C119 C120 1.389(6) .
O1 Si1 1.763(3) .
O1 Na1 2.390(3) .
O2 Si1 1.743(2) .
O3 Si1 1.756(3) .
O3 Na1 2.325(3) .
O4 Si1 1.749(3) .
O5 Si2 1.741(3) .
O5 Na3 2.590(3) .
O6 Si2 1.758(2) .
O7 Si2 1.747(2) .
O7 Na3 2.370(3) .
O8 Si2 1.765(3) .
O9 Si3 1.750(3) .
O10 Si3 1.754(3) .
O11 Si3 1.760(3) .
O12 Si3 1.746(3) .
O13 Si4 1.751(3) .
O13 Na6A 2.546(5) .
O13 Na5B 2.863(8) 4_575
O14 Si4 1.750(3) .
O14 Na3 2.450(3) 3_576
O15 Si4 1.754(3) .
O15 Na6A 2.282(4) .
O16 Si4 1.752(3) .
O16 Na3 2.385(3) 3_576
O17 Si5 1.763(3) .
O17 Na6B 2.427(5) .
O18 Si5 1.729(3) .
O19 Si5 1.757(3) .
O19 Na6B 2.409(5) .
O20 Si5 1.758(3) .
O21 Si6 1.763(3) .
O21 Na4B 2.375(5) .
O21 Na4A 2.453(5) .
O22 Si6 1.746(3) .
O22 Na5A 2.294(4) .
O22 Na5B 2.723(8) .
O23 Si6 1.750(3) .
O23 Na4A 2.316(5) .
O23 Na4B 2.391(6) .
O24 Si6 1.755(3) .
O24 Na5A 2.481(4) .
O25 Na1 2.360(3) .
O25 Na2 2.444(3) .
O26 Na1 2.381(3) .
O26 Na2 2.508(3) .
O27 Na1 2.391(3) .
O28 Na2 2.421(3) .
O29 Na2 2.356(3) .
O29 Na2 2.405(3) 3_476
O31 Na3 2.358(4) .
Na1 Si1 3.3619(18) .
Na1 Na2 3.449(2) .
Na2 O30B 2.282(9) .
Na2 O30A 2.386(7) .
Na2 O29 2.405(3) 3_476
Na2 Na2 3.388(3) 3_476
Na3 O32A 2.262(6) .
Na3 O16 2.385(3) 3_576
Na3 O32B 2.412(11) .
Na3 O14 2.450(3) 3_576
Na3 Si4 3.4021(19) 3_576
Na3 Si2 3.4045(18) .
Si1 C85A 1.861(4) .
Si3 C91 1.867(4) .
Si4 Na6A 3.401(4) .
Si4 Na3 3.4019(19) 3_576
Si5 Na6B 3.422(4) .
Si6 Na4A 3.238(5) .
Si6 Na5A 3.352(3) .
Si6 Na4B 3.365(5) .
C180 C185 1.24(2) .
C180 C181 1.33(2) .
C181 C182 1.272(17) .
C182 C183 1.304(18) .
C183 C184 1.359(16) .
C184 C185 1.246(16) .
O68 C169 1.245(13) .
C169 N1 1.364(17) .
N1 C170 1.37(2) .
N1 C171 1.531(16) .
C171 N3 1.43(3) .
C85A C90B 1.26(3) .
C85A C86B 1.401(12) .
C85A C90A 1.421(12) .
C85A C86A 1.430(13) .
C86A C87A 1.388(19) .
C87A C88A 1.33(3) .
C88A C89A 1.51(3) .
C89A C90A 1.403(19) .
O70 C172 1.33(2) .
C172 N3 1.20(5) .
N3 C173 1.50(6) .
C86B C87B 1.349(18) .
C87B C88B 1.381(19) .
C88B C89B 1.21(3) .
C89B C90B 1.34(4) .
Na4A O33A 2.03(2) .
Na4A O62 2.372(9) 4_575
Na4A O34A 2.49(4) .
Na4A O35A 2.91(2) .
Na5A O36A 2.319(8) .
Na5A O69 2.348(8) .
Na5A O38A 2.362(7) .
Na5A Na6A 3.443(6) 4_576
O36A Na6A 2.422(9) 4_576
O38A Na6A 2.553(8) 4_576
Na6A O39A 1.67(2) .
Na6A O36A 2.422(9) 4_575
Na6A O40A 2.533(12) 4_575
Na6A O38A 2.553(8) 4_575
Na6A Na5A 3.443(6) 4_575
O40A Na6A 2.533(12) 4_576
O69 C174 1.182(11) .
C174 N2 1.380(15) .
N2 C175 1.368(15) .
N2 C176 1.374(11) .
Na4B O35B 1.713(12) .
Na4B O34B 2.311(10) .
Na4B O33B 2.477(10) .
Na5B O36B 2.44(2) .
Na5B O13 2.863(8) 4_576
Na5B O38B 2.878(13) .
O38B Na6B 2.348(9) .
Na6B O41C 2.189(19) .
Na6B O41B 2.350(14) .
Na6B O40B 2.394(14) .
Na6B O50B 2.43(3) .
O41B O41C 1.00(3) .
C91 C92B 1.32(2) .
C91 C96A 1.373(10) .
C91 C92A 1.409(8) .
C91 C96B 1.55(4) .
C92A C93A 1.374(14) .
C93A C94A 1.420(18) .
C94A C95A 1.359(19) .
C95A C96A 1.400(14) .
C92B C93B 1.34(6) .
C93B C94B 1.44(5) .
C94B C95B 1.23(11) .
C95B C96B 1.23(10) .
O56 C121 1.410(10) .
O56 C124 1.435(17) .
C121 C122 1.527(12) .
C122 C123 1.409(14) .
C123 C124 1.43(2) .
O67 C165 1.42(5) .
O67 C168 1.461(19) .
C165 C166 1.54(2) .
C166 C167 1.38(3) .
C167 C168 1.583(19) .
C186 C187 1.429(17) .
C186 C191 1.451(18) .
C187 C188 1.426(18) .
C188 C189 1.475(18) .
C189 C190 1.468(17) .
C190 C191 1.444(18) .
C192 C197 1.446(18) .
C192 C193 1.449(17) .
C193 C194 1.406(14) .
C194 C195 1.461(14) .
C195 C196 1.446(15) .
C196 C197 1.486(18) .
O58 C129 1.384(15) .
O58 C132 1.451(13) .
C129 C130 1.525(16) .
C130 C131 1.539(15) .
C131 C132 1.503(12) .
O60 C140 1.380(13) .
O60 C137 1.442(12) .
C137 C138 1.409(12) .
C138 C139 1.457(13) .
C139 C140 1.454(14) .
O63 C152 1.33(5) .
O63 C149 1.44(2) .
C149 C150 1.88(13) .
C150 C151 1.21(8) .
C151 C152 1.54(2) .
O61 C144 1.395(15) .
O61 C141 1.513(17) .
C141 C142 1.488(17) .
C142 C143 1.514(16) .
C143 C144 1.482(13) .
O64 C156 1.42(5) .
O64 C153 1.71(4) .
C153 C154 1.41(6) .
C154 C155 1.55(2) .
C155 C156 1.54(2) .
O62 C145 1.430(15) .
O62 C148 1.430(13) .
O62 Na4A 2.372(9) 4_576
C145 C146 1.536(18) .
C146 C147 1.59(3) .
C147 C148 1.487(15) .
O65 C160 1.16(5) .
O65 C157 1.471(19) .
C157 C158 1.568(19) .
C158 C159 1.49(2) .
C159 C160 1.47(2) .
O59 C136 1.402(10) .
O59 C133 1.409(12) .
C133 C134 1.542(12) .
C134 C135 1.457(12) .
C135 C136 1.458(11) .
O66 C164 1.42(2) .
O66 C161 1.49(9) .
C161 C162 1.68(10) .
C162 C163 1.80(11) .
C163 C164 1.52(9) .
O57 C128 1.441(10) .
O57 C125 1.498(12) .
C125 C126 1.451(15) .
C126 C127 1.526(15) .
C127 C128 1.435(17) .
O71 C177 1.28(2) .
C178 N4 1.396(18) .
N4 C177 1.457(14) .
N4 C179 1.50(6) .
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
C6 C1 C2 C3 -1.1(5) . .
C21 C1 C2 C3 176.5(3) . .
C1 C2 C3 O2 -176.1(3) . .
C1 C2 C3 C4 1.6(5) . .
O2 C3 C4 C5 177.9(3) . .
C2 C3 C4 C5 -0.1(5) . .
O2 C3 C4 O1 -1.6(4) . .
C2 C3 C4 O1 -179.5(3) . .
O1 C4 C5 C6 177.4(3) . .
C3 C4 C5 C6 -2.0(5) . .
C2 C1 C6 C5 -0.9(5) . .
C21 C1 C6 C5 -178.4(3) . .
C2 C1 C6 C7 175.2(3) . .
C21 C1 C6 C7 -2.2(5) . .
C4 C5 C6 C1 2.4(5) . .
C4 C5 C6 C7 -173.9(3) . .
C1 C6 C7 C8 -93.9(4) . .
C5 C6 C7 C8 82.3(4) . .
C6 C7 C8 C13 97.4(4) . .
C6 C7 C8 C9 -81.4(4) . .
C13 C8 C9 C10 -0.2(5) . .
C7 C8 C9 C10 178.6(3) . .
C8 C9 C10 O6 -176.9(3) . .
C8 C9 C10 C11 3.3(5) . .
O6 C10 C11 O5 -1.7(4) . .
C9 C10 C11 O5 178.1(3) . .
O6 C10 C11 C12 177.0(3) . .
C9 C10 C11 C12 -3.2(5) . .
O5 C11 C12 C13 178.4(3) . .
C10 C11 C12 C13 0.0(5) . .
C11 C12 C13 C8 3.0(5) . .
C11 C12 C13 C14 -176.1(3) . .
C9 C8 C13 C12 -2.9(5) . .
C7 C8 C13 C12 178.4(3) . .
C9 C8 C13 C14 176.2(3) . .
C7 C8 C13 C14 -2.5(5) . .
C12 C13 C14 C15 85.6(4) . .
C8 C13 C14 C15 -93.5(4) . .
C13 C14 C15 C16 -84.7(4) . .
C13 C14 C15 C20 94.4(4) . .
C20 C15 C16 C17 -1.2(5) . .
C14 C15 C16 C17 178.0(3) . .
C15 C16 C17 O14 -178.0(3) . .
C15 C16 C17 C18 0.7(5) . .
O14 C17 C18 O13 0.0(4) . .
C16 C17 C18 O13 -178.9(3) . .
O14 C17 C18 C19 179.6(3) . .
C16 C17 C18 C19 0.7(5) . .
O13 C18 C19 C20 178.0(3) . .
C17 C18 C19 C20 -1.5(5) . .
C18 C19 C20 C15 1.0(5) . .
C18 C19 C20 C21 -178.2(3) . .
C16 C15 C20 C19 0.3(5) . .
C14 C15 C20 C19 -178.8(3) . .
C16 C15 C20 C21 179.5(3) . .
C14 C15 C20 C21 0.4(5) . .
C19 C20 C21 C1 83.3(4) . .
C15 C20 C21 C1 -95.9(4) . .
C6 C1 C21 C20 97.2(4) . .
C2 C1 C21 C20 -80.3(4) . .
C27 C22 C23 C24 -3.0(5) . .
C42 C22 C23 C24 172.6(3) . .
C22 C23 C24 O7 -178.8(3) . .
C22 C23 C24 C25 -1.6(5) . .
O7 C24 C25 C26 -177.5(3) . .
C23 C24 C25 C26 4.9(5) . .
O7 C24 C25 O8 2.2(4) . .
C23 C24 C25 O8 -175.4(3) . .
C24 C25 C26 C27 -3.5(5) . .
O8 C25 C26 C27 176.9(3) . .
C23 C22 C27 C26 4.3(5) . .
C42 C22 C27 C26 -171.0(3) . .
C23 C22 C27 C28 -178.2(3) . .
C42 C22 C27 C28 6.5(5) . .
C25 C26 C27 C22 -1.1(5) . .
C25 C26 C27 C28 -178.8(3) . .
C22 C27 C28 C29 -100.7(4) . .
C26 C27 C28 C29 76.9(4) . .
C27 C28 C29 C34 94.9(4) . .
C27 C28 C29 C30 -82.0(4) . .
C34 C29 C30 C31 -2.0(5) . .
C28 C29 C30 C31 174.9(3) . .
C29 C30 C31 O10 -176.5(3) . .
C29 C30 C31 C32 2.9(5) . .
C30 C31 C32 O9 178.9(3) . .
O10 C31 C32 O9 -1.5(4) . .
C30 C31 C32 C33 -1.5(6) . .
O10 C31 C32 C33 178.0(3) . .
O9 C32 C33 C34 178.6(3) . .
C31 C32 C33 C34 -0.9(5) . .
C30 C29 C34 C33 -0.3(5) . .
C28 C29 C34 C33 -177.1(3) . .
C30 C29 C34 C35 176.0(3) . .
C28 C29 C34 C35 -0.7(5) . .
C32 C33 C34 C29 1.7(5) . .
C32 C33 C34 C35 -174.8(3) . .
C29 C34 C35 C36 -92.6(4) . .
C33 C34 C35 C36 83.9(4) . .
C34 C35 C36 C41 97.3(4) . .
C34 C35 C36 C37 -80.9(4) . .
C41 C36 C37 C38 0.0(5) . .
C35 C36 C37 C38 178.4(3) . .
C36 C37 C38 O19 -179.4(3) . .
C36 C37 C38 C39 0.9(5) . .
O19 C38 C39 C40 179.0(3) . .
C37 C38 C39 C40 -1.2(5) . .
O19 C38 C39 O20 0.0(4) . .
C37 C38 C39 O20 179.7(3) . .
O20 C39 C40 C41 179.5(3) . .
C38 C39 C40 C41 0.6(5) . .
C39 C40 C41 C36 0.3(5) . .
C39 C40 C41 C42 -177.6(3) . .
C37 C36 C41 C40 -0.6(5) . .
C35 C36 C41 C40 -178.8(3) . .
C37 C36 C41 C42 177.1(3) . .
C35 C36 C41 C42 -1.1(5) . .
C27 C22 C42 C41 90.5(4) . .
C23 C22 C42 C41 -85.0(4) . .
C40 C41 C42 C22 82.4(4) . .
C36 C41 C42 C22 -95.4(4) . .
C48 C43 C44 C45 -1.7(5) . .
C63 C43 C44 C45 178.2(3) . .
C43 C44 C45 O11 -179.8(3) . .
C43 C44 C45 C46 -0.9(5) . .
C44 C45 C46 O12 -176.7(3) . .
O11 C45 C46 O12 2.4(4) . .
C44 C45 C46 C47 2.6(5) . .
O11 C45 C46 C47 -178.3(3) . .
O12 C46 C47 C48 177.6(3) . .
C45 C46 C47 C48 -1.7(5) . .
C44 C43 C48 C47 2.6(5) . .
C63 C43 C48 C47 -177.3(3) . .
C44 C43 C48 C49 -178.9(3) . .
C63 C43 C48 C49 1.2(5) . .
C46 C47 C48 C43 -1.0(5) . .
C46 C47 C48 C49 -179.5(3) . .
C43 C48 C49 C50 -95.3(4) . .
C47 C48 C49 C50 83.2(4) . .
C48 C49 C50 C55 96.2(4) . .
C48 C49 C50 C51 -81.7(4) . .
C55 C50 C51 C52 -0.3(5) . .
C49 C50 C51 C52 177.7(3) . .
C50 C51 C52 O3 -178.5(3) . .
C50 C51 C52 C53 -0.1(5) . .
C51 C52 C53 O4 -177.7(3) . .
O3 C52 C53 O4 1.0(4) . .
C51 C52 C53 C54 0.2(5) . .
O3 C52 C53 C54 178.8(3) . .
O4 C53 C54 C55 177.7(3) . .
C52 C53 C54 C55 0.1(5) . .
C51 C50 C55 C54 0.6(5) . .
C49 C50 C55 C54 -177.3(3) . .
C51 C50 C55 C56 177.2(3) . .
C49 C50 C55 C56 -0.7(5) . .
C53 C54 C55 C50 -0.5(5) . .
C53 C54 C55 C56 -177.3(3) . .
C50 C55 C56 C57 -95.4(4) . .
C54 C55 C56 C57 81.2(4) . .
C55 C56 C57 C62 94.7(4) . .
C55 C56 C57 C58 -81.5(4) . .
C62 C57 C58 C59 -0.6(5) . .
C56 C57 C58 C59 175.7(3) . .
C57 C58 C59 O23 -177.0(3) . .
C57 C58 C59 C60 1.5(5) . .
C58 C59 C60 O24 -178.9(3) . .
O23 C59 C60 O24 -0.2(4) . .
C58 C59 C60 C61 -1.3(5) . .
O23 C59 C60 C61 177.3(3) . .
O24 C60 C61 C62 177.5(3) . .
C59 C60 C61 C62 0.3(5) . .
C58 C57 C62 C61 -0.4(5) . .
C56 C57 C62 C61 -176.4(3) . .
C58 C57 C62 C63 178.0(3) . .
C56 C57 C62 C63 2.0(5) . .
C60 C61 C62 C57 0.5(5) . .
C60 C61 C62 C63 -178.0(3) . .
C57 C62 C63 C43 -97.0(4) . .
C61 C62 C63 C43 81.4(4) . .
C44 C43 C63 C62 -86.4(4) . .
C48 C43 C63 C62 93.5(4) . .
C69 C64 C65 C66 0.5(5) . .
C84 C64 C65 C66 177.4(3) . .
C64 C65 C66 O15 -178.1(3) . .
C64 C65 C66 C67 1.7(5) . .
O15 C66 C67 O16 -1.3(4) . .
C65 C66 C67 O16 178.9(3) . .
O15 C66 C67 C68 177.9(3) . .
C65 C66 C67 C68 -1.9(5) . .
O16 C67 C68 C69 178.9(3) . .
C66 C67 C68 C69 -0.1(5) . .
C65 C64 C69 C68 -2.4(5) . .
C84 C64 C69 C68 -179.2(3) . .
C65 C64 C69 C70 175.2(3) . .
C84 C64 C69 C70 -1.5(5) . .
C67 C68 C69 C64 2.2(5) . .
C67 C68 C69 C70 -175.6(3) . .
C64 C69 C70 C71 -93.7(4) . .
C68 C69 C70 C71 84.0(4) . .
C69 C70 C71 C76 98.7(4) . .
C69 C70 C71 C72 -79.8(4) . .
C76 C71 C72 C73 -0.5(5) . .
C70 C71 C72 C73 178.1(3) . .
C71 C72 C73 O18 -176.5(3) . .
C71 C72 C73 C74 2.1(5) . .
O18 C73 C74 O17 -0.8(4) . .
C72 C73 C74 O17 -179.6(3) . .
O18 C73 C74 C75 177.2(3) . .
C72 C73 C74 C75 -1.5(5) . .
O17 C74 C75 C76 177.1(3) . .
C73 C74 C75 C76 -0.7(5) . .
C72 C71 C76 C75 -1.7(5) . .
C70 C71 C76 C75 179.9(3) . .
C72 C71 C76 C77 172.6(3) . .
C70 C71 C76 C77 -5.8(5) . .
C74 C75 C76 C71 2.3(5) . .
C74 C75 C76 C77 -172.3(3) . .
C71 C76 C77 C78 -92.2(4) . .
C75 C76 C77 C78 82.3(4) . .
C76 C77 C78 C83 98.6(4) . .
C76 C77 C78 C79 -78.5(4) . .
C83 C78 C79 C80 0.9(5) . .
C77 C78 C79 C80 178.1(3) . .
C78 C79 C80 O22 -179.1(3) . .
C78 C79 C80 C81 0.6(5) . .
C79 C80 C81 O21 179.6(3) . .
O22 C80 C81 O21 -0.6(4) . .
C79 C80 C81 C82 -1.1(5) . .
O22 C80 C81 C82 178.6(3) . .
O21 C81 C82 C83 179.2(3) . .
C80 C81 C82 C83 0.1(5) . .
C79 C78 C83 C82 -1.9(5) . .
C77 C78 C83 C82 -179.0(3) . .
C79 C78 C83 C84 173.9(3) . .
C77 C78 C83 C84 -3.2(5) . .
C81 C82 C83 C78 1.4(5) . .
C81 C82 C83 C84 -174.7(3) . .
C69 C64 C84 C83 95.2(4) . .
C65 C64 C84 C83 -81.6(4) . .
C78 C83 C84 C64 -92.7(4) . .
C82 C83 C84 C64 83.2(4) . .
C102 C97 C98 C99 2.3(6) . .
Si2 C97 C98 C99 175.8(3) . .
C97 C98 C99 C100 -1.1(7) . .
C98 C99 C100 C101 -0.2(7) . .
C99 C100 C101 C102 0.2(7) . .
C100 C101 C102 C97 1.2(7) . .
C98 C97 C102 C101 -2.4(6) . .
Si2 C97 C102 C101 -176.0(3) . .
C108 C103 C104 C105 -2.3(6) . .
Si4 C103 C104 C105 176.9(3) . .
C103 C104 C105 C106 -0.2(6) . .
C104 C105 C106 C107 1.7(7) . .
C105 C106 C107 C108 -0.6(9) . .
C104 C103 C108 C107 3.4(7) . .
Si4 C103 C108 C107 -175.8(4) . .
C106 C107 C108 C103 -2.1(9) . .
C114 C109 C110 C111 -0.8(8) . .
Si5 C109 C110 C111 -175.7(5) . .
C109 C110 C111 C112 -1.4(11) . .
C110 C111 C112 C113 2.0(13) . .
C111 C112 C113 C114 -0.4(13) . .
C112 C113 C114 C109 -1.9(11) . .
C110 C109 C114 C113 2.5(8) . .
Si5 C109 C114 C113 177.5(5) . .
C120 C115 C116 C117 1.3(7) . .
Si6 C115 C116 C117 -177.6(4) . .
C115 C116 C117 C118 0.0(8) . .
C116 C117 C118 C119 -1.7(7) . .
C117 C118 C119 C120 2.0(7) . .
C116 C115 C120 C119 -1.0(7) . .
Si6 C115 C120 C119 177.9(4) . .
C118 C119 C120 C115 -0.6(8) . .
C5 C4 O1 Si1 175.7(3) . .
C3 C4 O1 Si1 -4.8(3) . .
C5 C4 O1 Na1 -32.8(5) . .
C3 C4 O1 Na1 146.6(2) . .
C2 C3 O2 Si1 -174.8(3) . .
C4 C3 O2 Si1 7.4(3) . .
C51 C52 O3 Si1 -171.8(3) . .
C53 C52 O3 Si1 9.6(3) . .
C51 C52 O3 Na1 22.8(5) . .
C53 C52 O3 Na1 -155.8(2) . .
C54 C53 O4 Si1 171.2(3) . .
C52 C53 O4 Si1 -11.1(4) . .
C12 C11 O5 Si2 176.0(3) . .
C10 C11 O5 Si2 -5.5(4) . .
C12 C11 O5 Na3 4.7(7) . .
C10 C11 O5 Na3 -176.8(3) . .
C9 C10 O6 Si2 -171.8(3) . .
C11 C10 O6 Si2 8.0(4) . .
C23 C24 O7 Si2 -176.4(3) . .
C25 C24 O7 Si2 6.2(3) . .
C23 C24 O7 Na3 -2.4(5) . .
C25 C24 O7 Na3 -179.8(2) . .
C26 C25 O8 Si2 170.2(3) . .
C24 C25 O8 Si2 -9.5(4) . .
C33 C32 O9 Si3 173.4(3) . .
C31 C32 O9 Si3 -7.0(4) . .
C30 C31 O10 Si3 -171.1(3) . .
C32 C31 O10 Si3 9.4(4) . .
C44 C45 O11 Si3 -178.7(3) . .
C46 C45 O11 Si3 2.3(4) . .
C47 C46 O12 Si3 174.7(3) . .
C45 C46 O12 Si3 -6.0(4) . .
C19 C18 O13 Si4 171.9(3) . .
C17 C18 O13 Si4 -8.5(4) . .
C19 C18 O13 Na6A -35.3(6) . .
C17 C18 O13 Na6A 144.3(3) . .
C19 C18 O13 Na5B 33.5(5) . 4_575
C17 C18 O13 Na5B -146.9(3) . 4_575
C16 C17 O14 Si4 -172.6(3) . .
C18 C17 O14 Si4 8.6(4) . .
C16 C17 O14 Na3 24.0(6) . 3_576
C18 C17 O14 Na3 -154.8(3) . 3_576
C65 C66 O15 Si4 -173.5(3) . .
C67 C66 O15 Si4 6.7(4) . .
C65 C66 O15 Na6A 23.6(5) . .
C67 C66 O15 Na6A -156.2(3) . .
C68 C67 O16 Si4 176.2(3) . .
C66 C67 O16 Si4 -4.8(4) . .
C68 C67 O16 Na3 -30.7(5) . 3_576
C66 C67 O16 Na3 148.3(3) . 3_576
C75 C74 O17 Si5 177.6(3) . .
C73 C74 O17 Si5 -4.5(4) . .
C75 C74 O17 Na6B -29.5(5) . .
C73 C74 O17 Na6B 148.4(3) . .
C74 C73 O18 Si5 5.9(4) . .
C72 C73 O18 Si5 -175.4(3) . .
C37 C38 O19 Si5 -166.2(3) . .
C39 C38 O19 Si5 13.5(4) . .
C37 C38 O19 Na6B 13.6(6) . .
C39 C38 O19 Na6B -166.7(3) . .
C40 C39 O20 Si5 167.6(3) . .
C38 C39 O20 Si5 -13.5(4) . .
C82 C81 O21 Si6 171.2(3) . .
C80 C81 O21 Si6 -9.6(4) . .
C82 C81 O21 Na4B -21.3(6) . .
C80 C81 O21 Na4B 157.9(4) . .
C82 C81 O21 Na4A 10.6(7) . .
C80 C81 O21 Na4A -170.2(4) . .
C79 C80 O22 Si6 -169.5(3) . .
C81 C80 O22 Si6 10.7(4) . .
C79 C80 O22 Na5A 41.4(5) . .
C81 C80 O22 Na5A -138.4(3) . .
C79 C80 O22 Na5B 12.1(5) . .
C81 C80 O22 Na5B -167.7(3) . .
C58 C59 O23 Si6 -174.0(3) . .
C60 C59 O23 Si6 7.4(4) . .
C58 C59 O23 Na4A -16.2(6) . .
C60 C59 O23 Na4A 165.2(3) . .
C58 C59 O23 Na4B 16.4(6) . .
C60 C59 O23 Na4B -162.2(4) . .
C61 C60 O24 Si6 175.6(3) . .
C59 C60 O24 Si6 -7.0(4) . .
C61 C60 O24 Na5A -49.5(5) . .
C59 C60 O24 Na5A 127.8(3) . .
C52 O3 Na1 O25 -128.4(3) . .
Si1 O3 Na1 O25 65.98(18) . .
C52 O3 Na1 O26 107.5(3) . .
Si1 O3 Na1 O26 -58.18(19) . .
C52 O3 Na1 O1 163.7(3) . .
Si1 O3 Na1 O1 -1.92(11) . .
C52 O3 Na1 O27 8.3(3) . .
Si1 O3 Na1 O27 -157.37(13) . .
C52 O3 Na1 Si1 165.6(4) . .
C52 O3 Na1 Na2 -179.8(3) . .
Si1 O3 Na1 Na2 14.5(4) . .
Na2 O25 Na1 O3 -158.78(11) . .
Na2 O25 Na1 O26 -17.85(11) . .
Na2 O25 Na1 O1 -105.86(11) . .
Na2 O25 Na1 O27 67.91(14) . .
Na2 O25 Na1 Si1 -130.43(8) . .
Na2 O26 Na1 O3 154.51(12) . .
Na2 O26 Na1 O25 17.37(10) . .
Na2 O26 Na1 O1 108.77(10) . .
Na2 O26 Na1 O27 -97.57(10) . .
Na2 O26 Na1 Si1 127.89(7) . .
C4 O1 Na1 O3 -150.6(3) . .
Si1 O1 Na1 O3 1.88(11) . .
C4 O1 Na1 O25 79.0(3) . .
Si1 O1 Na1 O25 -128.49(14) . .
C4 O1 Na1 O26 -9.9(3) . .
Si1 O1 Na1 O26 142.56(13) . .
C4 O1 Na1 O27 -88.4(4) . .
Si1 O1 Na1 O27 64.1(3) . .
C4 O1 Na1 Si1 -152.5(4) . .
C4 O1 Na1 Na2 34.8(3) . .
Si1 O1 Na1 Na2 -172.67(10) . .
Na2 O29 Na2 O30B 173.9(3) 3_476 .
Na2 O29 Na2 O30A 170.76(19) 3_476 .
Na2 O29 Na2 O29 -0.001(2) 3_476 3_476
Na2 O29 Na2 O28 79.57(10) 3_476 .
Na2 O29 Na2 O25 -52.0(5) 3_476 .
Na2 O29 Na2 O26 -82.65(9) 3_476 .
Na2 O29 Na2 Na1 -63.35(10) 3_476 .
Na1 O25 Na2 O30B 122.6(3) . .
Na1 O25 Na2 O29 -13.7(6) . .
Na1 O25 Na2 O30A 122.54(19) . .
Na1 O25 Na2 O29 -66.22(11) . 3_476
Na1 O25 Na2 O28 -144.65(11) . .
Na1 O25 Na2 O26 17.00(10) . .
Na1 O25 Na2 Na2 -57.75(14) . 3_476
Na1 O26 Na2 O30B -95.7(4) . .
Na1 O26 Na2 O29 156.83(10) . .
Na1 O26 Na2 O30A -116.94(19) . .
Na1 O26 Na2 O29 66.94(10) . 3_476
Na1 O26 Na2 O28 80.9(4) . .
Na1 O26 Na2 O25 -16.84(11) . .
Na1 O26 Na2 Na2 111.42(9) . 3_476
O3 Na1 Na2 O30B 6.1(4) . .
O25 Na1 Na2 O30B -59.1(3) . .
O26 Na1 Na2 O30B 96.0(3) . .
O1 Na1 Na2 O30B 20.5(3) . .
O27 Na1 Na2 O30B 178.3(3) . .
Si1 Na1 Na2 O30B 15.6(3) . .
O3 Na1 Na2 O29 -118.4(3) . .
O25 Na1 Na2 O29 176.44(15) . .
O26 Na1 Na2 O29 -28.49(13) . .
O1 Na1 Na2 O29 -103.93(12) . .
O27 Na1 Na2 O29 53.82(13) . .
Si1 Na1 Na2 O29 -108.86(11) . .
O3 Na1 Na2 O30A -7.9(4) . .
O25 Na1 Na2 O30A -73.1(2) . .
O26 Na1 Na2 O30A 82.0(2) . .
O1 Na1 Na2 O30A 6.5(2) . .
O27 Na1 Na2 O30A 164.3(2) . .
Si1 Na1 Na2 O30A 1.6(2) . .
O3 Na1 Na2 O29 168.2(3) . 3_476
O25 Na1 Na2 O29 103.03(13) . 3_476
O26 Na1 Na2 O29 -101.90(12) . 3_476
O1 Na1 Na2 O29 -177.34(11) . 3_476
O27 Na1 Na2 O29 -19.59(10) . 3_476
Si1 Na1 Na2 O29 177.73(10) . 3_476
O3 Na1 Na2 O28 114.3(3) . .
O25 Na1 Na2 O28 49.13(15) . .
O26 Na1 Na2 O28 -155.80(15) . .
O1 Na1 Na2 O28 128.76(12) . .
O27 Na1 Na2 O28 -73.49(14) . .
Si1 Na1 Na2 O28 123.83(11) . .
O3 Na1 Na2 O25 65.2(3) . .
O26 Na1 Na2 O25 155.07(15) . .
O1 Na1 Na2 O25 79.63(13) . .
O27 Na1 Na2 O25 -122.62(14) . .
Si1 Na1 Na2 O25 74.70(13) . .
O3 Na1 Na2 O26 -89.9(3) . .
O25 Na1 Na2 O26 -155.07(15) . .
O1 Na1 Na2 O26 -75.44(12) . .
O27 Na1 Na2 O26 82.31(12) . .
Si1 Na1 Na2 O26 -80.37(11) . .
O3 Na1 Na2 Na2 -158.2(3) . 3_476
O25 Na1 Na2 Na2 136.60(13) . 3_476
O26 Na1 Na2 Na2 -68.33(10) . 3_476
O1 Na1 Na2 Na2 -143.78(9) . 3_476
O27 Na1 Na2 Na2 13.97(10) . 3_476
Si1 Na1 Na2 Na2 -148.70(7) . 3_476
C24 O7 Na3 O32A 83.8(3) . .
Si2 O7 Na3 O32A -102.0(2) . .
C24 O7 Na3 O31 -160.2(3) . .
Si2 O7 Na3 O31 13.9(3) . .
C24 O7 Na3 O16 -76.5(3) . 3_576
Si2 O7 Na3 O16 97.63(13) . 3_576
C24 O7 Na3 O32B 76.9(4) . .
Si2 O7 Na3 O32B -109.0(3) . .
C24 O7 Na3 O14 -18.3(3) . 3_576
Si2 O7 Na3 O14 155.82(12) . 3_576
C24 O7 Na3 O5 165.7(3) . .
Si2 O7 Na3 O5 -20.15(11) . .
C24 O7 Na3 Si4 -47.7(3) . 3_576
Si2 O7 Na3 Si4 126.39(11) . 3_576
C24 O7 Na3 Si2 -174.1(4) . .
C11 O5 Na3 O32A -75.6(4) . .
Si2 O5 Na3 O32A 112.6(2) . .
C11 O5 Na3 O31 32.1(4) . .
Si2 O5 Na3 O31 -139.77(15) . .
C11 O5 Na3 O7 -168.9(4) . .
Si2 O5 Na3 O7 19.30(11) . .
C11 O5 Na3 O16 115.3(4) . 3_576
Si2 O5 Na3 O16 -56.49(15) . 3_576
C11 O5 Na3 O32B -65.0(5) . .
Si2 O5 Na3 O32B 123.1(3) . .
C11 O5 Na3 O14 -179.4(4) . 3_576
Si2 O5 Na3 O14 8.8(4) . 3_576
C11 O5 Na3 Si4 134.6(4) . 3_576
Si2 O5 Na3 Si4 -37.24(19) . 3_576
C11 O5 Na3 Si2 171.8(5) . .
C3 O2 Si1 O4 -161.7(2) . .
C3 O2 Si1 O3 -82.9(3) . .
C3 O2 Si1 O1 -8.3(2) . .
C3 O2 Si1 C85A 97.0(3) . .
C3 O2 Si1 Na1 -31.4(3) . .
C53 O4 Si1 O2 163.2(2) . .
C53 O4 Si1 O3 13.6(2) . .
C53 O4 Si1 O1 85.6(3) . .
C53 O4 Si1 C85A -92.1(2) . .
C53 O4 Si1 Na1 32.3(3) . .
C52 O3 Si1 O2 -91.0(3) . .
Na1 O3 Si1 O2 78.3(3) . .
C52 O3 Si1 O4 -13.2(2) . .
Na1 O3 Si1 O4 156.18(14) . .
C52 O3 Si1 O1 -167.1(2) . .
Na1 O3 Si1 O1 2.26(13) . .
C52 O3 Si1 C85A 89.1(3) . .
Na1 O3 Si1 C85A -101.57(18) . .
C52 O3 Si1 Na1 -169.3(3) . .
C4 O1 Si1 O2 7.4(2) . .
Na1 O1 Si1 O2 -152.09(13) . .
C4 O1 Si1 O4 84.1(3) . .
Na1 O1 Si1 O4 -75.4(3) . .
C4 O1 Si1 O3 157.3(2) . .
Na1 O1 Si1 O3 -2.16(12) . .
C4 O1 Si1 C85A -98.1(2) . .
Na1 O1 Si1 C85A 102.35(16) . .
C4 O1 Si1 Na1 159.5(3) . .
O3 Na1 Si1 O2 -141.49(18) . .
O25 Na1 Si1 O2 91.27(15) . .
O26 Na1 Si1 O2 -5.59(15) . .
O1 Na1 Si1 O2 35.20(16) . .
O27 Na1 Si1 O2 -111.45(16) . .
Na2 Na1 Si1 O2 44.85(14) . .
O3 Na1 Si1 O4 -29.51(17) . .
O25 Na1 Si1 O4 -156.76(14) . .
O26 Na1 Si1 O4 106.38(14) . .
O1 Na1 Si1 O4 147.18(17) . .
O27 Na1 Si1 O4 0.53(18) . .
Na2 Na1 Si1 O4 156.83(12) . .
O25 Na1 Si1 O3 -127.24(17) . .
O26 Na1 Si1 O3 135.90(16) . .
O1 Na1 Si1 O3 176.69(19) . .
O27 Na1 Si1 O3 30.04(17) . .
Na2 Na1 Si1 O3 -173.66(16) . .
O3 Na1 Si1 O1 -176.69(19) . .
O25 Na1 Si1 O1 56.06(15) . .
O26 Na1 Si1 O1 -40.79(14) . .
O27 Na1 Si1 O1 -146.65(18) . .
Na2 Na1 Si1 O1 9.65(13) . .
O3 Na1 Si1 C85A 91.8(2) . .
O25 Na1 Si1 C85A -35.48(18) . .
O26 Na1 Si1 C85A -132.34(17) . .
O1 Na1 Si1 C85A -91.55(19) . .
O27 Na1 Si1 C85A 121.80(19) . .
Na2 Na1 Si1 C85A -81.90(17) . .
C11 O5 Si2 O7 163.2(3) . .
Na3 O5 Si2 O7 -21.91(12) . .
C11 O5 Si2 O6 8.3(2) . .
Na3 O5 Si2 O6 -176.86(12) . .
C11 O5 Si2 O8 87.0(3) . .
Na3 O5 Si2 O8 -98.1(2) . .
C11 O5 Si2 C97 -92.9(3) . .
Na3 O5 Si2 C97 81.94(16) . .
C11 O5 Si2 Na3 -174.9(3) . .
C24 O7 Si2 O5 -159.2(2) . .
Na3 O7 Si2 O5 25.24(13) . .
C24 O7 Si2 O6 -85.2(3) . .
Na3 O7 Si2 O6 99.2(3) . .
C24 O7 Si2 O8 -9.5(2) . .
Na3 O7 Si2 O8 174.95(13) . .
C24 O7 Si2 C97 92.1(2) . .
Na3 O7 Si2 C97 -83.49(16) . .
C24 O7 Si2 Na3 175.6(3) . .
C10 O6 Si2 O5 -9.2(2) . .
C10 O6 Si2 O7 -82.1(3) . .
C10 O6 Si2 O8 -158.4(2) . .
C10 O6 Si2 C97 100.6(2) . .
C10 O6 Si2 Na3 -12.6(3) . .
C25 O8 Si2 O5 85.7(3) . .
C25 O8 Si2 O7 10.6(2) . .
C25 O8 Si2 O6 165.3(2) . .
C25 O8 Si2 C97 -94.4(2) . .
C25 O8 Si2 Na3 14.8(3) . .
C102 C97 Si2 O5 -122.4(3) . .
C98 C97 Si2 O5 64.4(3) . .
C102 C97 Si2 O7 -33.7(3) . .
C98 C97 Si2 O7 153.1(3) . .
C102 C97 Si2 O6 145.1(3) . .
C98 C97 Si2 O6 -28.1(3) . .
C102 C97 Si2 O8 57.6(3) . .
C98 C97 Si2 O8 -115.6(3) . .
C102 C97 Si2 Na3 -74.4(3) . .
C98 C97 Si2 Na3 112.4(3) . .
O32A Na3 Si2 O5 -66.6(2) . .
O31 Na3 Si2 O5 44.25(16) . .
O7 Na3 Si2 O5 -145.29(19) . .
O16 Na3 Si2 O5 130.15(15) 3_576 .
O32B Na3 Si2 O5 -64.3(3) . .
O14 Na3 Si2 O5 -175.82(17) 3_576 .
Si4 Na3 Si2 O5 154.45(14) 3_576 .
O32A Na3 Si2 O7 78.6(2) . .
O31 Na3 Si2 O7 -170.46(18) . .
O16 Na3 Si2 O7 -84.56(15) 3_576 .
O32B Na3 Si2 O7 81.0(3) . .
O14 Na3 Si2 O7 -30.53(15) 3_576 .
O5 Na3 Si2 O7 145.29(19) . .
Si4 Na3 Si2 O7 -60.26(13) 3_576 .
O32A Na3 Si2 O6 -62.1(2) . .
O31 Na3 Si2 O6 48.83(18) . .
O7 Na3 Si2 O6 -140.71(19) . .
O16 Na3 Si2 O6 134.73(15) 3_576 .
O32B Na3 Si2 O6 -59.7(3) . .
O14 Na3 Si2 O6 -171.24(15) 3_576 .
O5 Na3 Si2 O6 4.58(18) . .
Si4 Na3 Si2 O6 159.03(13) 3_576 .
O32A Na3 Si2 O8 72.2(2) . .
O31 Na3 Si2 O8 -176.94(15) . .
O7 Na3 Si2 O8 -6.48(17) . .
O16 Na3 Si2 O8 -91.03(14) 3_576 .
O32B Na3 Si2 O8 74.5(3) . .
O14 Na3 Si2 O8 -37.01(17) 3_576 .
O5 Na3 Si2 O8 138.81(18) . .
Si4 Na3 Si2 O8 -66.74(13) 3_576 .
O32A Na3 Si2 C97 -176.6(2) . .
O31 Na3 Si2 C97 -65.70(16) . .
O7 Na3 Si2 C97 104.76(17) . .
O16 Na3 Si2 C97 20.20(14) 3_576 .
O32B Na3 Si2 C97 -174.2(3) . .
O14 Na3 Si2 C97 74.23(16) 3_576 .
O5 Na3 Si2 C97 -109.95(17) . .
Si4 Na3 Si2 C97 44.50(13) 3_576 .
C46 O12 Si3 O9 81.8(3) . .
C46 O12 Si3 O10 160.3(2) . .
C46 O12 Si3 O11 6.0(2) . .
C46 O12 Si3 C91 -98.8(3) . .
C32 O9 Si3 O12 87.5(3) . .
C32 O9 Si3 O10 10.2(2) . .
C32 O9 Si3 O11 164.6(2) . .
C32 O9 Si3 C91 -91.8(3) . .
C31 O10 Si3 O12 -158.6(2) . .
C31 O10 Si3 O9 -11.1(2) . .
C31 O10 Si3 O11 -84.0(4) . .
C31 O10 Si3 C91 96.4(3) . .
C45 O11 Si3 O12 -4.6(2) . .
C45 O11 Si3 O9 -152.4(2) . .
C45 O11 Si3 O10 -78.4(4) . .
C45 O11 Si3 C91 101.2(3) . .
C17 O14 Si4 O13 -11.1(2) . .
Na3 O14 Si4 O13 157.58(14) 3_576 .
C17 O14 Si4 O16 -165.4(2) . .
Na3 O14 Si4 O16 3.30(13) 3_576 .
C17 O14 Si4 O15 -87.9(3) . .
Na3 O14 Si4 O15 80.8(2) 3_576 .
C17 O14 Si4 C103 91.3(3) . .
Na3 O14 Si4 C103 -100.09(16) 3_576 .
C17 O14 Si4 Na6A -37.2(3) . .
Na3 O14 Si4 Na6A 131.41(12) 3_576 .
C17 O14 Si4 Na3 -168.7(3) . 3_576
C18 O13 Si4 O14 11.0(3) . .
Na6A O13 Si4 O14 -151.74(16) . .
Na5B O13 Si4 O14 148.8(2) 4_575 .
C18 O13 Si4 O16 85.7(4) . .
Na6A O13 Si4 O16 -77.0(3) . .
Na5B O13 Si4 O16 -136.5(3) 4_575 .
C18 O13 Si4 O15 159.7(3) . .
Na6A O13 Si4 O15 -3.06(16) . .
Na5B O13 Si4 O15 -62.6(2) 4_575 .
C18 O13 Si4 C103 -95.6(3) . .
Na6A O13 Si4 C103 101.65(18) . .
Na5B O13 Si4 C103 42.2(3) 4_575 .
C18 O13 Si4 Na6A 162.8(3) . .
Na5B O13 Si4 Na6A -59.5(2) 4_575 .
C18 O13 Si4 Na3 30.5(3) . 3_576
Na6A O13 Si4 Na3 -132.29(12) . 3_576
Na5B O13 Si4 Na3 168.21(19) 4_575 3_576
C67 O16 Si4 O14 155.8(2) . .
Na3 O16 Si4 O14 -3.44(13) 3_576 .
C67 O16 Si4 O13 80.3(4) . .
Na3 O16 Si4 O13 -79.0(3) 3_576 .
C67 O16 Si4 O15 7.0(2) . .
Na3 O16 Si4 O15 -152.17(14) 3_576 .
C67 O16 Si4 C103 -98.4(2) . .
Na3 O16 Si4 C103 102.36(16) 3_576 .
C67 O16 Si4 Na6A 22.8(3) . .
Na3 O16 Si4 Na6A -136.47(11) 3_576 .
C67 O16 Si4 Na3 159.2(3) . 3_576
C66 O15 Si4 O14 -84.3(3) . .
Na6A O15 Si4 O14 81.5(3) . .
C66 O15 Si4 O13 -162.2(2) . .
Na6A O15 Si4 O13 3.64(19) . .
C66 O15 Si4 O16 -7.8(2) . .
Na6A O15 Si4 O16 158.12(18) . .
C66 O15 Si4 C103 96.5(3) . .
Na6A O15 Si4 C103 -97.6(2) . .
C66 O15 Si4 Na6A -165.9(3) . .
C66 O15 Si4 Na3 -29.5(3) . 3_576
Na6A O15 Si4 Na3 136.36(15) . 3_576
C108 C103 Si4 O14 120.1(4) . .
C104 C103 Si4 O14 -59.0(3) . .
C108 C103 Si4 O13 -147.9(4) . .
C104 C103 Si4 O13 32.9(3) . .
C108 C103 Si4 O16 31.4(4) . .
C104 C103 Si4 O16 -147.7(3) . .
C108 C103 Si4 O15 -60.4(4) . .
C104 C103 Si4 O15 120.5(3) . .
C108 C103 Si4 Na6A -99.7(4) . .
C104 C103 Si4 Na6A 81.2(3) . .
C108 C103 Si4 Na3 74.4(4) . 3_576
C104 C103 Si4 Na3 -104.7(3) . 3_576
C73 O18 Si5 O19 -83.1(3) . .
C73 O18 Si5 O20 -162.5(2) . .
C73 O18 Si5 O17 -7.0(2) . .
C73 O18 Si5 C109 96.4(3) . .
C73 O18 Si5 Na6B -28.5(3) . .
C38 O19 Si5 O18 -95.9(3) . .
Na6B O19 Si5 O18 84.3(3) . .
C38 O19 Si5 O20 -17.5(2) . .
Na6B O19 Si5 O20 162.64(19) . .
C38 O19 Si5 O17 -173.5(3) . .
Na6B O19 Si5 O17 6.65(18) . .
C38 O19 Si5 C109 84.6(3) . .
Na6B O19 Si5 C109 -95.2(2) . .
C38 O19 Si5 Na6B 179.8(3) . .
C39 O20 Si5 O18 164.5(2) . .
C39 O20 Si5 O19 17.4(2) . .
C39 O20 Si5 O17 88.4(4) . .
C39 O20 Si5 C109 -87.0(2) . .
C39 O20 Si5 Na6B 31.9(3) . .
C74 O17 Si5 O18 6.5(2) . .
Na6B O17 Si5 O18 -153.83(18) . .
C74 O17 Si5 O19 153.7(2) . .
Na6B O17 Si5 O19 -6.57(18) . .
C74 O17 Si5 O20 81.7(4) . .
Na6B O17 Si5 O20 -78.6(3) . .
C74 O17 Si5 C109 -102.9(3) . .
Na6B O17 Si5 C109 96.8(2) . .
C74 O17 Si5 Na6B 160.3(3) . .
C114 C109 Si5 O18 85.6(4) . .
C110 C109 Si5 O18 -99.7(4) . .
C114 C109 Si5 O19 -94.7(4) . .
C110 C109 Si5 O19 80.0(4) . .
C114 C109 Si5 O20 -3.2(4) . .
C110 C109 Si5 O20 171.5(4) . .
C114 C109 Si5 O17 178.8(4) . .
C110 C109 Si5 O17 -6.5(4) . .
C114 C109 Si5 Na6B -137.7(4) . .
C110 C109 Si5 Na6B 37.0(4) . .
C80 O22 Si6 O23 -88.8(3) . .
Na5A O22 Si6 O23 66.0(3) . .
Na5B O22 Si6 O23 89.7(3) . .
C80 O22 Si6 O24 -167.1(2) . .
Na5A O22 Si6 O24 -12.25(17) . .
Na5B O22 Si6 O24 11.4(2) . .
C80 O22 Si6 O21 -13.3(2) . .
Na5A O22 Si6 O21 141.54(18) . .
Na5B O22 Si6 O21 165.2(2) . .
C80 O22 Si6 C115 88.7(3) . .
Na5A O22 Si6 C115 -116.50(19) . .
Na5B O22 Si6 C115 -92.9(2) . .
C80 O22 Si6 Na4A -15.9(3) . .
Na5A O22 Si6 Na4A 138.92(19) . .
Na5B O22 Si6 Na4A 162.6(2) . .
C80 O22 Si6 Na5A -154.8(3) . .
Na5B O22 Si6 Na5A 23.64(18) . .
C80 O22 Si6 Na4B -31.2(3) . .
Na5A O22 Si6 Na4B 123.6(2) . .
Na5B O22 Si6 Na4B 147.3(2) . .
C59 O23 Si6 O22 -86.6(3) . .
Na4A O23 Si6 O22 108.0(3) . .
Na4B O23 Si6 O22 86.3(3) . .
C59 O23 Si6 O24 -9.4(2) . .
Na4A O23 Si6 O24 -174.83(19) . .
Na4B O23 Si6 O24 163.4(2) . .
C59 O23 Si6 O21 -163.3(2) . .
Na4A O23 Si6 O21 31.33(19) . .
Na4B O23 Si6 O21 9.6(2) . .
C59 O23 Si6 C115 96.0(3) . .
Na4A O23 Si6 C115 -69.5(2) . .
Na4B O23 Si6 C115 -91.2(2) . .
C59 O23 Si6 Na4A 165.4(3) . .
Na4B O23 Si6 Na4A -21.73(15) . .
C59 O23 Si6 Na5A -43.8(3) . .
Na4A O23 Si6 Na5A 150.81(17) . .
Na4B O23 Si6 Na5A 129.1(2) . .
C59 O23 Si6 Na4B -172.8(4) . .
Na4A O23 Si6 Na4B 21.73(15) . .
C60 O24 Si6 O22 157.9(2) . .
Na5A O24 Si6 O22 10.82(15) . .
C60 O24 Si6 O23 9.3(2) . .
Na5A O24 Si6 O23 -137.82(16) . .
C60 O24 Si6 O21 82.9(4) . .
Na5A O24 Si6 O21 -64.2(3) . .
C60 O24 Si6 C115 -96.4(3) . .
Na5A O24 Si6 C115 116.55(17) . .
C60 O24 Si6 Na4A 4.4(3) . .
Na5A O24 Si6 Na4A -142.64(17) . .
C60 O24 Si6 Na5A 147.1(3) . .
C60 O24 Si6 Na4B 23.6(3) . .
Na5A O24 Si6 Na4B -123.46(19) . .
C81 O21 Si6 O22 12.9(2) . .
Na4B O21 Si6 O22 -158.5(2) . .
Na4A O21 Si6 O22 -177.59(17) . .
C81 O21 Si6 O23 161.8(2) . .
Na4B O21 Si6 O23 -9.7(2) . .
Na4A O21 Si6 O23 -28.73(17) . .
C81 O21 Si6 O24 87.1(4) . .
Na4B O21 Si6 O24 -84.4(3) . .
Na4A O21 Si6 O24 -103.4(3) . .
C81 O21 Si6 C115 -93.6(3) . .
Na4B O21 Si6 C115 94.9(2) . .
Na4A O21 Si6 C115 75.84(19) . .
C81 O21 Si6 Na4A -169.5(3) . .
Na4B O21 Si6 Na4A 19.06(17) . .
C81 O21 Si6 Na5A 39.7(3) . .
Na4B O21 Si6 Na5A -131.8(2) . .
Na4A O21 Si6 Na5A -150.84(15) . .
C81 O21 Si6 Na4B 171.5(3) . .
Na4A O21 Si6 Na4B -19.06(17) . .
C120 C115 Si6 O22 91.9(4) . .
C116 C115 Si6 O22 -89.3(4) . .
C120 C115 Si6 O23 -89.5(3) . .
C116 C115 Si6 O23 89.3(4) . .
C120 C115 Si6 O24 3.2(4) . .
C116 C115 Si6 O24 -178.0(3) . .
C120 C115 Si6 O21 -176.5(3) . .
C116 C115 Si6 O21 2.3(4) . .
C120 C115 Si6 Na4A -129.9(3) . .
C116 C115 Si6 Na4A 48.9(4) . .
C120 C115 Si6 Na5A 50.9(4) . .
C116 C115 Si6 Na5A -130.3(3) . .
C120 C115 Si6 Na4B -133.3(3) . .
C116 C115 Si6 Na4B 45.5(4) . .
C185 C180 C181 C182 -12(4) . .
C180 C181 C182 C183 8(4) . .
C181 C182 C183 C184 -2(3) . .
C182 C183 C184 C185 2(3) . .
C181 C180 C185 C184 10(3) . .
C183 C184 C185 C180 -6(3) . .
O68 C169 N1 C170 4.4(16) . .
O68 C169 N1 C171 171.5(9) . .
C169 N1 C171 N3 5(8) . .
C170 N1 C171 N3 172(9) . .
O2 Si1 C85A C90B 35.6(19) . .
O4 Si1 C85A C90B -52.6(19) . .
O3 Si1 C85A C90B -144.5(19) . .
O1 Si1 C85A C90B 128.5(19) . .
Na1 Si1 C85A C90B 173.2(19) . .
O2 Si1 C85A C86B -168.3(10) . .
O4 Si1 C85A C86B 103.5(10) . .
O3 Si1 C85A C86B 11.6(10) . .
O1 Si1 C85A C86B -75.4(10) . .
Na1 Si1 C85A C86B -30.7(10) . .
O2 Si1 C85A C90A 38.9(9) . .
O4 Si1 C85A C90A -49.3(9) . .
O3 Si1 C85A C90A -141.1(9) . .
O1 Si1 C85A C90A 131.8(9) . .
Na1 Si1 C85A C90A 176.5(9) . .
O2 Si1 C85A C86A -123.0(5) . .
O4 Si1 C85A C86A 148.8(5) . .
O3 Si1 C85A C86A 57.0(5) . .
O1 Si1 C85A C86A -30.1(5) . .
Na1 Si1 C85A C86A 14.6(5) . .
C90B C85A C86A C87A 12.6(19) . .
C86B C85A C86A C87A -75.5(16) . .
C90A C85A C86A C87A 13.0(14) . .
Si1 C85A C86A C87A 174.9(8) . .
C85A C86A C87A C88A -7(2) . .
C86A C87A C88A C89A 8(3) . .
C87A C88A C89A C90A -14(2) . .
C88A C89A C90A C85A 21(2) . .
C90B C85A C90A C89A -19(11) . .
C86B C85A C90A C89A 21(2) . .
C86A C85A C90A C89A -21.3(19) . .
Si1 C85A C90A C89A 176.7(11) . .
O70 C172 N3 C171 174.1(18) . .
O70 C172 N3 C173 -11(6) . .
N1 C171 N3 C172 171(11) . .
N1 C171 N3 C173 -5(7) . .
C90B C85A C86B C87B -6.7(18) . .
C90A C85A C86B C87B -13.1(18) . .
C86A C85A C86B C87B 97(2) . .
Si1 C85A C86B C87B -167.5(10) . .
C85A C86B C87B C88B 1(2) . .
C86B C87B C88B C89B -4(3) . .
C87B C88B C89B C90B 14(4) . .
C86B C85A C90B C89B 19(4) . .
C90A C85A C90B C89B 162(15) . .
C86A C85A C90B C89B -20(4) . .
Si1 C85A C90B C89B 179(3) . .
C88B C89B C90B C85A -25(6) . .
C59 O23 Na4A O33A -168.7(16) . .
Si6 O23 Na4A O33A -9.8(16) . .
Na4B O23 Na4A O33A 91.3(17) . .
C59 O23 Na4A O62 -45.2(5) . 4_575
Si6 O23 Na4A O62 113.7(2) . 4_575
Na4B O23 Na4A O62 -145.2(7) . 4_575
C59 O23 Na4A O21 175.4(4) . .
Si6 O23 Na4A O21 -25.71(15) . .
Na4B O23 Na4A O21 75.4(6) . .
C59 O23 Na4A O34A 49.5(9) . .
Si6 O23 Na4A O34A -151.6(7) . .
Na4B O23 Na4A O34A -50.5(9) . .
C59 O23 Na4A O35A 94.3(7) . .
Si6 O23 Na4A O35A -106.8(6) . .
Na4B O23 Na4A O35A -5.7(7) . .
C59 O23 Na4A Si6 -158.9(5) . .
Na4B O23 Na4A Si6 101.1(6) . .
C81 O21 Na4A O33A 15.1(10) . .
Si6 O21 Na4A O33A -146.7(8) . .
Na4B O21 Na4A O33A 95.7(10) . .
C81 O21 Na4A O23 -173.2(5) . .
Si6 O21 Na4A O23 24.93(14) . .
Na4B O21 Na4A O23 -92.7(6) . .
C81 O21 Na4A O62 124.9(5) . 4_575
Si6 O21 Na4A O62 -37.0(4) . 4_575
Na4B O21 Na4A O62 -154.6(8) . 4_575
C81 O21 Na4A O34A -91.0(9) . .
Si6 O21 Na4A O34A 107.2(8) . .
Na4B O21 Na4A O34A -10.4(9) . .
C81 O21 Na4A O35A -91.0(6) . .
Si6 O21 Na4A O35A 107.2(4) . .
Na4B O21 Na4A O35A -10.4(7) . .
C81 O21 Na4A Si6 161.9(5) . .
Na4B O21 Na4A Si6 -117.6(6) . .
O22 Si6 Na4A O33A 41.4(10) . .
O23 Si6 Na4A O33A 174.2(10) . .
O24 Si6 Na4A O33A -178.8(9) . .
O21 Si6 Na4A O33A 37.9(9) . .
C115 Si6 Na4A O33A -70.4(9) . .
Na5A Si6 Na4A O33A 107.9(9) . .
Na4B Si6 Na4A O33A 96.6(11) . .
O22 Si6 Na4A O23 -132.8(2) . .
O24 Si6 Na4A O23 7.0(3) . .
O21 Si6 Na4A O23 -136.3(3) . .
C115 Si6 Na4A O23 115.4(2) . .
Na5A Si6 Na4A O23 -66.3(3) . .
Na4B Si6 Na4A O23 -77.6(6) . .
O22 Si6 Na4A O62 156.2(3) . 4_575
O23 Si6 Na4A O62 -71.0(3) . 4_575
O24 Si6 Na4A O62 -64.0(3) . 4_575
O21 Si6 Na4A O62 152.7(3) . 4_575
C115 Si6 Na4A O62 44.4(3) . 4_575
Na5A Si6 Na4A O62 -137.3(3) . 4_575
Na4B Si6 Na4A O62 -148.6(7) . 4_575
O22 Si6 Na4A O21 3.5(3) . .
O23 Si6 Na4A O21 136.3(3) . .
O24 Si6 Na4A O21 143.25(19) . .
C115 Si6 Na4A O21 -108.32(19) . .
Na5A Si6 Na4A O21 70.0(3) . .
Na4B Si6 Na4A O21 58.7(6) . .
O22 Si6 Na4A O34A -95.9(9) . .
O23 Si6 Na4A O34A 36.9(9) . .
O24 Si6 Na4A O34A 43.9(9) . .
O21 Si6 Na4A O34A -99.4(9) . .
C115 Si6 Na4A O34A 152.3(9) . .
Na5A Si6 Na4A O34A -29.3(10) . .
Na4B Si6 Na4A O34A -40.6(10) . .
O22 Si6 Na4A O35A -64.3(6) . .
O23 Si6 Na4A O35A 68.5(6) . .
O24 Si6 Na4A O35A 75.4(6) . .
O21 Si6 Na4A O35A -67.8(5) . .
C115 Si6 Na4A O35A -176.1(5) . .
Na5A Si6 Na4A O35A 2.2(6) . .
Na4B Si6 Na4A O35A -9.1(7) . .
C80 O22 Na5A O36A -166.5(7) . .
Si6 O22 Na5A O36A 44.2(8) . .
Na5B O22 Na5A O36A -73.0(9) . .
C80 O22 Na5A O69 39.6(4) . .
Si6 O22 Na5A O69 -109.7(2) . .
Na5B O22 Na5A O69 133.1(6) . .
C80 O22 Na5A O38A -53.2(4) . .
Si6 O22 Na5A O38A 157.5(2) . .
Na5B O22 Na5A O38A 40.3(5) . .
C80 O22 Na5A O24 159.4(3) . .
Si6 O22 Na5A O24 10.05(14) . .
Na5B O22 Na5A O24 -107.1(5) . .
C80 O22 Na5A Si6 149.3(4) . .
Na5B O22 Na5A Si6 -117.2(5) . .
C80 O22 Na5A Na6A -90.8(4) . 4_576
Si6 O22 Na5A Na6A 119.9(2) . 4_576
Na5B O22 Na5A Na6A 2.7(5) . 4_576
C60 O24 Na5A O22 -147.3(3) . .
Si6 O24 Na5A O22 -9.56(14) . .
C60 O24 Na5A O36A 44.9(4) . .
Si6 O24 Na5A O36A -177.4(2) . .
C60 O24 Na5A O69 -69.9(4) . .
Si6 O24 Na5A O69 67.9(3) . .
C60 O24 Na5A O38A 151.8(4) . .
Si6 O24 Na5A O38A -70.4(4) . .
C60 O24 Na5A Si6 -137.8(4) . .
C60 O24 Na5A Na6A 87.9(3) . 4_576
Si6 O24 Na5A Na6A -134.37(16) . 4_576
O23 Si6 Na5A O22 -145.50(19) . .
O24 Si6 Na5A O22 162.9(2) . .
O21 Si6 Na5A O22 -44.9(2) . .
C115 Si6 Na5A O22 80.2(2) . .
Na4A Si6 Na5A O22 -97.9(3) . .
Na4B Si6 Na5A O22 -93.5(2) . .
O22 Si6 Na5A O36A -159.4(4) . .
O23 Si6 Na5A O36A 55.1(4) . .
O24 Si6 Na5A O36A 3.5(3) . .
O21 Si6 Na5A O36A 155.7(3) . .
C115 Si6 Na5A O36A -79.2(4) . .
Na4A Si6 Na5A O36A 102.7(4) . .
Na4B Si6 Na5A O36A 107.1(4) . .
O22 Si6 Na5A O69 74.6(3) . .
O23 Si6 Na5A O69 -70.9(2) . .
O24 Si6 Na5A O69 -122.5(3) . .
O21 Si6 Na5A O69 29.7(3) . .
C115 Si6 Na5A O69 154.8(2) . .
Na4A Si6 Na5A O69 -23.3(3) . .
Na4B Si6 Na5A O69 -18.9(3) . .
O22 Si6 Na5A O38A -27.6(2) . .
O23 Si6 Na5A O38A -173.1(2) . .
O24 Si6 Na5A O38A 135.3(3) . .
O21 Si6 Na5A O38A -72.5(3) . .
C115 Si6 Na5A O38A 52.6(3) . .
Na4A Si6 Na5A O38A -125.5(3) . .
Na4B Si6 Na5A O38A -121.2(3) . .
O22 Si6 Na5A O24 -162.9(2) . .
O23 Si6 Na5A O24 51.56(18) . .
O21 Si6 Na5A O24 152.16(17) . .
C115 Si6 Na5A O24 -82.71(19) . .
Na4A Si6 Na5A O24 99.2(3) . .
Na4B Si6 Na5A O24 103.5(2) . .
O22 Si6 Na5A Na6A -92.2(3) . 4_576
O23 Si6 Na5A Na6A 122.3(2) . 4_576
O24 Si6 Na5A Na6A 70.7(2) . 4_576
O21 Si6 Na5A Na6A -137.1(2) . 4_576
C115 Si6 Na5A Na6A -12.0(3) . 4_576
Na4A Si6 Na5A Na6A 169.9(2) . 4_576
Na4B Si6 Na5A Na6A 174.3(2) . 4_576
O22 Na5A O36A Na6A 97.5(8) . 4_576
O69 Na5A O36A Na6A -109.5(3) . 4_576
O38A Na5A O36A Na6A -17.4(3) . 4_576
O24 Na5A O36A Na6A 127.0(3) . 4_576
Si6 Na5A O36A Na6A 125.1(3) . 4_576
O22 Na5A O38A Na6A -143.8(2) . 4_576
O36A Na5A O38A Na6A 16.5(3) . 4_576
O69 Na5A O38A Na6A 121.6(3) . 4_576
O24 Na5A O38A Na6A -94.5(4) . 4_576
Si6 Na5A O38A Na6A -130.6(2) . 4_576
C66 O15 Na6A O39A 78.6(8) . .
Si4 O15 Na6A O39A -84.2(8) . .
C66 O15 Na6A O36A -159.0(6) . 4_575
Si4 O15 Na6A O36A 38.2(6) . 4_575
C66 O15 Na6A O40A -36.6(4) . 4_575
Si4 O15 Na6A O40A 160.6(3) . 4_575
C66 O15 Na6A O13 159.8(3) . .
Si4 O15 Na6A O13 -2.94(15) . .
C66 O15 Na6A O38A -112.9(3) . 4_575
Si4 O15 Na6A O38A 84.3(2) . 4_575
C66 O15 Na6A Si4 162.8(4) . .
C66 O15 Na6A Na5A -138.9(3) . 4_575
Si4 O15 Na6A Na5A 58.3(2) . 4_575
C18 O13 Na6A O39A -55.1(7) . .
Si4 O13 Na6A O39A 99.2(6) . .
Na5B O13 Na6A O39A -146.7(6) 4_575 .
C18 O13 Na6A O15 -151.6(4) . .
Si4 O13 Na6A O15 2.76(14) . .
Na5B O13 Na6A O15 116.8(3) 4_575 .
C18 O13 Na6A O36A 47.3(5) . 4_575
Si4 O13 Na6A O36A -158.3(2) . 4_575
Na5B O13 Na6A O36A -44.2(3) 4_575 4_575
C18 O13 Na6A O40A 170.9(6) . 4_575
Si4 O13 Na6A O40A -34.8(7) . 4_575
Na5B O13 Na6A O40A 79.3(7) 4_575 4_575
C18 O13 Na6A O38A 129.0(4) . 4_575
Si4 O13 Na6A O38A -76.7(2) . 4_575
Na5B O13 Na6A O38A 37.4(2) 4_575 4_575
C18 O13 Na6A Si4 -154.3(5) . .
Na5B O13 Na6A Si4 114.1(3) 4_575 .
C18 O13 Na6A Na5A 84.9(4) . 4_575
Si4 O13 Na6A Na5A -120.73(14) . 4_575
Na5B O13 Na6A Na5A -6.6(2) 4_575 4_575
O14 Si4 Na6A O39A -41.7(7) . .
O13 Si4 Na6A O39A -78.9(7) . .
O16 Si4 Na6A O39A 69.9(7) . .
O15 Si4 Na6A O39A 96.1(7) . .
C103 Si4 Na6A O39A -170.1(7) . .
Na3 Si4 Na6A O39A 19.4(7) 3_576 .
O14 Si4 Na6A O15 -137.8(2) . .
O13 Si4 Na6A O15 -175.0(3) . .
O16 Si4 Na6A O15 -26.2(2) . .
C103 Si4 Na6A O15 93.8(2) . .
Na3 Si4 Na6A O15 -76.7(2) 3_576 .
O14 Si4 Na6A O36A 64.1(3) . 4_575
O13 Si4 Na6A O36A 26.9(3) . 4_575
O16 Si4 Na6A O36A 175.7(3) . 4_575
O15 Si4 Na6A O36A -158.1(4) . 4_575
C103 Si4 Na6A O36A -64.3(3) . 4_575
Na3 Si4 Na6A O36A 125.2(3) 3_576 4_575
O14 Si4 Na6A O40A -161.6(3) . 4_575
O13 Si4 Na6A O40A 161.3(4) . 4_575
O16 Si4 Na6A O40A -49.9(4) . 4_575
O15 Si4 Na6A O40A -23.7(3) . 4_575
C103 Si4 Na6A O40A 70.0(4) . 4_575
Na3 Si4 Na6A O40A -100.4(3) 3_576 4_575
O14 Si4 Na6A O13 37.2(2) . .
O16 Si4 Na6A O13 148.80(18) . .
O15 Si4 Na6A O13 175.0(3) . .
C103 Si4 Na6A O13 -91.21(19) . .
Na3 Si4 Na6A O13 98.33(18) 3_576 .
O14 Si4 Na6A O38A 133.9(2) . 4_575
O13 Si4 Na6A O38A 96.7(2) . 4_575
O16 Si4 Na6A O38A -114.5(2) . 4_575
O15 Si4 Na6A O38A -88.3(2) . 4_575
C103 Si4 Na6A O38A 5.5(2) . 4_575
Na3 Si4 Na6A O38A -164.99(16) 3_576 4_575
O14 Si4 Na6A Na5A 95.06(16) . 4_575
O13 Si4 Na6A Na5A 57.87(16) . 4_575
O16 Si4 Na6A Na5A -153.33(13) . 4_575
O15 Si4 Na6A Na5A -127.1(2) . 4_575
C103 Si4 Na6A Na5A -33.34(16) . 4_575
Na3 Si4 Na6A Na5A 156.20(9) 3_576 4_575
O22 Na5A O69 C174 -28.7(10) . .
O36A Na5A O69 C174 160.9(10) . .
O38A Na5A O69 C174 70.4(10) . .
O24 Na5A O69 C174 -85.7(10) . .
Si6 Na5A O69 C174 -56.7(11) . .
Na6A Na5A O69 C174 114.3(10) 4_576 .
Na5A O69 C174 N2 91.1(11) . .
O69 C174 N2 C175 -177.8(8) . .
O69 C174 N2 C176 -0.5(13) . .
C81 O21 Na4B O35B -46.5(10) . .
Si6 O21 Na4B O35B 121.4(8) . .
Na4A O21 Na4B O35B -171.7(12) . .
C81 O21 Na4B O34B 177.9(8) . .
Si6 O21 Na4B O34B -14.2(9) . .
Na4A O21 Na4B O34B 52.7(9) . .
C81 O21 Na4B O23 -159.7(4) . .
Si6 O21 Na4B O23 8.19(19) . .
Na4A O21 Na4B O23 75.1(5) . .
C81 O21 Na4B O33B 56.8(6) . .
Si6 O21 Na4B O33B -135.3(3) . .
Na4A O21 Na4B O33B -68.4(6) . .
C81 O21 Na4B Si6 -167.9(5) . .
Na4A O21 Na4B Si6 66.9(6) . .
C59 O23 Na4B O35B 24.2(14) . .
Si6 O23 Na4B O35B -145.8(13) . .
Na4A O23 Na4B O35B 129.2(15) . .
C59 O23 Na4B O34B -29.6(6) . .
Si6 O23 Na4B O34B 160.4(4) . .
Na4A O23 Na4B O34B 75.4(7) . .
C59 O23 Na4B O21 161.7(4) . .
Si6 O23 Na4B O21 -8.25(19) . .
Na4A O23 Na4B O21 -93.3(6) . .
C59 O23 Na4B O33B -143.1(5) . .
Si6 O23 Na4B O33B 46.9(5) . .
Na4A O23 Na4B O33B -38.1(6) . .
C59 O23 Na4B Si6 169.9(5) . .
Na4A O23 Na4B Si6 -85.0(6) . .
O22 Si6 Na4B O35B -79.0(18) . .
O23 Si6 Na4B O35B 59.5(18) . .
O24 Si6 Na4B O35B 38.0(18) . .
O21 Si6 Na4B O35B -106.2(18) . .
C115 Si6 Na4B O35B 159.2(18) . .
Na4A Si6 Na4B O35B 146(2) . .
Na5A Si6 Na4B O35B -26.3(18) . .
O22 Si6 Na4B O34B -161.1(5) . .
O23 Si6 Na4B O34B -22.6(5) . .
O24 Si6 Na4B O34B -44.1(6) . .
O21 Si6 Na4B O34B 171.7(6) . .
C115 Si6 Na4B O34B 77.1(5) . .
Na4A Si6 Na4B O34B 63.9(7) . .
Na5A Si6 Na4B O34B -108.4(5) . .
O22 Si6 Na4B O21 27.2(3) . .
O23 Si6 Na4B O21 165.7(3) . .
O24 Si6 Na4B O21 144.2(2) . .
C115 Si6 Na4B O21 -94.5(2) . .
Na4A Si6 Na4B O21 -107.8(6) . .
Na5A Si6 Na4B O21 79.9(2) . .
O22 Si6 Na4B O23 -138.5(2) . .
O24 Si6 Na4B O23 -21.5(3) . .
O21 Si6 Na4B O23 -165.7(3) . .
C115 Si6 Na4B O23 99.7(2) . .
Na4A Si6 Na4B O23 86.5(6) . .
Na5A Si6 Na4B O23 -85.8(2) . .
O22 Si6 Na4B O33B 76.0(4) . .
O23 Si6 Na4B O33B -145.5(5) . .
O24 Si6 Na4B O33B -167.0(3) . .
O21 Si6 Na4B O33B 48.8(4) . .
C115 Si6 Na4B O33B -45.8(4) . .
Na4A Si6 Na4B O33B -59.0(6) . .
Na5A Si6 Na4B O33B 128.7(4) . .
C80 O22 Na5B O36B 120.0(7) . .
Si6 O22 Na5B O36B -58.2(7) . .
Na5A O22 Na5B O36B 15.0(7) . .
C80 O22 Na5B O13 -103.1(4) . 4_576
Si6 O22 Na5B O13 78.6(4) . 4_576
Na5A O22 Na5B O13 151.9(8) . 4_576
C80 O22 Na5B O38B 1.5(5) . .
Si6 O22 Na5B O38B -176.7(2) . .
Na5A O22 Na5B O38B -103.5(6) . .
O36B Na5B O38B Na6B -7.8(8) . .
O22 Na5B O38B Na6B 104.3(4) . .
O13 Na5B O38B Na6B -135.0(3) 4_576 .
Na5B O38B Na6B O41C 118.6(10) . .
Na5B O38B Na6B O41B 140.6(4) . .
Na5B O38B Na6B O40B 45.8(5) . .
Na5B O38B Na6B O19 -107.8(8) . .
Na5B O38B Na6B O17 -118.2(3) . .
Na5B O38B Na6B O50B -26.7(7) . .
Na5B O38B Na6B Si5 -118.6(3) . .
C38 O19 Na6B O41C -61.6(10) . .
Si5 O19 Na6B O41C 118.2(9) . .
C38 O19 Na6B O38B 162.3(8) . .
Si5 O19 Na6B O38B -17.9(9) . .
C38 O19 Na6B O41B -86.4(5) . .
Si5 O19 Na6B O41B 93.4(3) . .
C38 O19 Na6B O40B 9.6(6) . .
Si5 O19 Na6B O40B -170.6(4) . .
C38 O19 Na6B O17 174.6(4) . .
Si5 O19 Na6B O17 -5.66(16) . .
C38 O19 Na6B O50B 82.6(8) . .
Si5 O19 Na6B O50B -97.6(7) . .
C38 O19 Na6B Si5 -179.8(5) . .
C74 O17 Na6B O41C 141.3(7) . .
Si5 O17 Na6B O41C -65.1(7) . .
C74 O17 Na6B O38B 27.0(5) . .
Si5 O17 Na6B O38B -179.4(3) . .
C74 O17 Na6B O41B 122.5(4) . .
Si5 O17 Na6B O41B -83.9(4) . .
C74 O17 Na6B O40B -105.6(11) . .
Si5 O17 Na6B O40B 48.0(11) . .
C74 O17 Na6B O19 -148.0(3) . .
Si5 O17 Na6B O19 5.61(16) . .
C74 O17 Na6B O50B -57.9(8) . .
Si5 O17 Na6B O50B 95.7(7) . .
C74 O17 Na6B Si5 -153.6(4) . .
O18 Si5 Na6B O41C 157.8(8) . .
O19 Si5 Na6B O41C -65.0(8) . .
O20 Si5 Na6B O41C -87.2(8) . .
O17 Si5 Na6B O41C 124.8(8) . .
C109 Si5 Na6B O41C 30.9(8) . .
O18 Si5 Na6B O38B 33.7(4) . .
O19 Si5 Na6B O38B 170.9(4) . .
O20 Si5 Na6B O38B 148.8(3) . .
O17 Si5 Na6B O38B 0.8(3) . .
C109 Si5 Na6B O38B -93.1(4) . .
O18 Si5 Na6B O41B 133.4(3) . .
O19 Si5 Na6B O41B -89.5(3) . .
O20 Si5 Na6B O41B -111.6(3) . .
O17 Si5 Na6B O41B 100.4(4) . .
C109 Si5 Na6B O41B 6.5(3) . .
O18 Si5 Na6B O40B -124.6(5) . .
O19 Si5 Na6B O40B 12.5(5) . .
O20 Si5 Na6B O40B -9.6(6) . .
O17 Si5 Na6B O40B -157.6(6) . .
C109 Si5 Na6B O40B 108.5(5) . .
O18 Si5 Na6B O19 -137.2(2) . .
O20 Si5 Na6B O19 -22.2(2) . .
O17 Si5 Na6B O19 -170.1(3) . .
C109 Si5 Na6B O19 95.9(2) . .
O18 Si5 Na6B O17 33.0(2) . .
O19 Si5 Na6B O17 170.1(3) . .
O20 Si5 Na6B O17 147.98(19) . .
C109 Si5 Na6B O17 -93.9(2) . .
O18 Si5 Na6B O50B -53.2(8) . .
O19 Si5 Na6B O50B 84.0(8) . .
O20 Si5 Na6B O50B 61.8(8) . .
O17 Si5 Na6B O50B -86.2(8) . .
C109 Si5 Na6B O50B 179.9(8) . .
O38B Na6B O41B O41C -122.3(17) . .
O40B Na6B O41B O41C -25.6(17) . .
O19 Na6B O41B O41C 80.0(16) . .
O17 Na6B O41B O41C 138.3(16) . .
O50B Na6B O41B O41C -40(4) . .
Si5 Na6B O41B O41C 109.0(16) . .
O38B Na6B O41C O41B 61.7(18) . .
O40B Na6B O41C O41B 153.0(17) . .
O19 Na6B O41C O41B -101.2(16) . .
O17 Na6B O41C O41B -48.1(16) . .
O50B Na6B O41C O41B 166.1(15) . .
Si5 Na6B O41C O41B -75.2(15) . .
O12 Si3 C91 C92B 76(5) . .
O9 Si3 C91 C92B -104(5) . .
O10 Si3 C91 C92B 164(5) . .
O11 Si3 C91 C92B -16(5) . .
O12 Si3 C91 C96A -110.0(5) . .
O9 Si3 C91 C96A 69.6(6) . .
O10 Si3 C91 C96A -22.4(6) . .
O11 Si3 C91 C96A 157.8(5) . .
O12 Si3 C91 C92A 69.7(4) . .
O9 Si3 C91 C92A -110.6(4) . .
O10 Si3 C91 C92A 157.3(4) . .
O11 Si3 C91 C92A -22.5(4) . .
O12 Si3 C91 C96B -83(4) . .
O9 Si3 C91 C96B 96(4) . .
O10 Si3 C91 C96B 4(4) . .
O11 Si3 C91 C96B -176(4) . .
C92B C91 C92A C93A 21(13) . .
C96A C91 C92A C93A 2.6(11) . .
C96B C91 C92A C93A -24(4) . .
Si3 C91 C92A C93A -177.1(8) . .
C91 C92A C93A C94A -3.6(15) . .
C92A C93A C94A C95A 1.3(17) . .
C93A C94A C95A C96A 1.7(19) . .
C92B C91 C96A C95A -4(4) . .
C92A C91 C96A C95A 0.7(12) . .
C96B C91 C96A C95A 97(9) . .
Si3 C91 C96A C95A -179.6(9) . .
C94A C95A C96A C91 -2.8(18) . .
C96A C91 C92B C93B 9(9) . .
C92A C91 C92B C93B -154(21) . .
C96B C91 C92B C93B -15(9) . .
Si3 C91 C92B C93B -176(5) . .
C91 C92B C93B C94B -3(10) . .
C92B C93B C94B C95B 26(11) . .
C93B C94B C95B C96B -23(12) . .
C94B C95B C96B C91 -2(12) . .
C92B C91 C96B C95B 19(10) . .
C96A C91 C96B C95B -65(9) . .
C92A C91 C96B C95B 30(10) . .
Si3 C91 C96B C95B -175(7) . .
C124 O56 C121 C122 4.6(15) . .
O56 C121 C122 C123 -9.1(11) . .
C121 C122 C123 C124 9.8(18) . .
C122 C123 C124 O56 -7(2) . .
C121 O56 C124 C123 2(2) . .
C168 O67 C165 C166 7(7) . .
O67 C165 C166 C167 12(7) . .
C165 C166 C167 C168 -24(6) . .
C165 O67 C168 C167 -21(6) . .
C166 C167 C168 O67 27(5) . .
C191 C186 C187 C188 3.3(15) . .
C186 C187 C188 C189 -1(2) . .
C187 C188 C189 C190 7(3) . .
C188 C189 C190 C191 -15(3) . .
C189 C190 C191 C186 21(3) . .
C187 C186 C191 C190 -15(3) . .
C197 C192 C193 C194 7.0(18) . .
C192 C193 C194 C195 1.8(14) . .
C193 C194 C195 C196 1(2) . .
C194 C195 C196 C197 -11(3) . .
C193 C192 C197 C196 -18(3) . .
C195 C196 C197 C192 20(4) . .
C132 O58 C129 C130 -23.5(13) . .
O58 C129 C130 C131 29.8(14) . .
C129 C130 C131 C132 -24.3(14) . .
C129 O58 C132 C131 8.1(12) . .
C130 C131 C132 O58 10.8(12) . .
C140 O60 C137 C138 -23.9(17) . .
O60 C137 C138 C139 17.3(17) . .
C137 C138 C139 C140 -4.3(19) . .
C137 O60 C140 C139 21(2) . .
C138 C139 C140 O60 -11(2) . .
C152 O63 C149 C150 48(7) . .
O63 C149 C150 C151 -46(10) . .
C149 C150 C151 C152 28(9) . .
C149 O63 C152 C151 -40(6) . .
C150 C151 C152 O63 0(8) . .
C144 O61 C141 C142 9.4(13) . .
O61 C141 C142 C143 -22.5(13) . .
C141 C142 C143 C144 27.2(12) . .
C141 O61 C144 C143 7.7(13) . .
C142 C143 C144 O61 -21.3(12) . .
C156 O64 C153 C154 48(3) . .
O64 C153 C154 C155 -6(5) . .
C153 C154 C155 C156 -33(6) . .
C153 O64 C156 C155 -67(4) . .
C154 C155 C156 O64 64(5) . .
C148 O62 C145 C146 -26(2) . .
Na4A O62 C145 C146 175.0(16) 4_576 .
O62 C145 C146 C147 3(3) . .
C145 C146 C147 C148 20(2) . .
C145 O62 C148 C147 41.9(16) . .
Na4A O62 C148 C147 -160.9(7) 4_576 .
C146 C147 C148 O62 -40.6(16) . .
C160 O65 C157 C158 1(4) . .
O65 C157 C158 C159 41(3) . .
C157 C158 C159 C160 -61(2) . .
C157 O65 C160 C159 -44(5) . .
C158 C159 C160 O65 69(3) . .
C136 O59 C133 C134 15.7(9) . .
O59 C133 C134 C135 -33.3(8) . .
C133 C134 C135 C136 39.0(7) . .
C133 O59 C136 C135 8.3(9) . .
C134 C135 C136 O59 -30.2(8) . .
C164 O66 C161 C162 -10(11) . .
O66 C161 C162 C163 22(7) . .
C161 C162 C163 C164 -30(9) . .
C161 O66 C164 C163 -11(11) . .
C162 C163 C164 O66 23(8) . .
C128 O57 C125 C126 -26.1(12) . .
O57 C125 C126 C127 41.3(12) . .
C125 C126 C127 C128 -43.1(13) . .
C126 C127 C128 O57 26.6(12) . .
C125 O57 C128 C127 -1.1(11) . .
C178 N4 C177 O71 -170(5) . .
C179 N4 C177 O71 4(5) . .
