#------------------------------------------------------------------------------
#$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $
#$Revision: 211332 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/33/32/4333271.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_4333271
loop_
_publ_author_name
'Hagen, Siegbert'
'Schubert, Hartmut'
'Maichle-Mössmer, Cäcilia'
'Pantenburg, Ingo'
'Weigend, Florian'
'Wesemann, Lars'
_publ_section_title
;
 Silver aggregation caused by Stanna-closo-dodecaborate coordination:
 syntheses, solid-state structures and theoretical studies.
;
_journal_issue                   16
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6775
_journal_page_last               6784
_journal_paper_doi               10.1021/ic700464d
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C78 H247 Ag4 B66 N15 Sn6'
_chemical_formula_weight         3252.99
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.685(3)
_cell_angle_beta                 100.181(3)
_cell_angle_gamma                97.343(4)
_cell_formula_units_Z            2
_cell_length_a                   17.9477(8)
_cell_length_b                   18.5844(8)
_cell_length_c                   23.6049(9)
_cell_measurement_temperature    173
_cell_volume                     7674.9(6)
_computing_cell_refinement       'Stoe X-Area'
_computing_data_collection       'Stoe WinXpose'
_computing_data_reduction        'Stoe X-Area'
_computing_molecular_graphics    ORTEP3
_computing_publication_material  SHELX97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173
_diffrn_measured_fraction_theta_full 0.949
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device_type  'Stoe IPDS 2T'
_diffrn_measurement_method       w-scan
_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  0.0738
_diffrn_reflns_av_sigmaI/netI    0.0587
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            141711
_diffrn_reflns_theta_full        29.81
_diffrn_reflns_theta_max         29.81
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    1.498
_exptl_absorpt_correction_T_max  0.8417
_exptl_absorpt_correction_T_min  0.6933
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            'lihgt green'
_exptl_crystal_density_diffrn    1.408
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       coloumn
_exptl_crystal_F_000             3276
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.111
_refine_diff_density_min         -1.215
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1543
_refine_ls_number_reflns         41767
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0932
_refine_ls_R_factor_gt           0.0514
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0328P)²+25.9531P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0958
_refine_ls_wR_factor_ref         0.1141
_reflns_number_gt                28618
_reflns_number_total             41767
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic700464dsup1.cif
_cod_data_source_block           hs27abs
_cod_depositor_comments
;Adding full bibliography for 4333271--4333274.cif.

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0328P)^2^+25.9531P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0328P)^2^+25.9531P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 

The following automatic conversions were performed:

'_atom_sites_solution_hydrogens' value 'geom/difmap' was changed to
'mixed'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4333271
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.185744(19) 0.77465(2) 0.781532(15) 0.03179(8) Uani 1 d . . .
Ag2 Ag -0.294259(19) 0.769881(18) 0.676177(14) 0.02646(7) Uani 1 d . . .
Ag3 Ag -0.328449(19) 0.70480(2) 0.779275(15) 0.03036(8) Uani 1 d . . .
Ag4 Ag -0.12299(2) 0.76774(2) 0.665637(17) 0.04003(9) Uani 1 d . . .
Sn1 Sn -0.220773(18) 0.710592(19) 0.880257(13) 0.02959(7) Uani 1 d . . .
Sn2 Sn -0.236911(18) 0.638939(17) 0.697904(14) 0.02785(7) Uani 1 d . . .
Sn3 Sn -0.047218(17) 0.838348(17) 0.775236(14) 0.02690(7) Uani 1 d . . .
Sn4 Sn -0.467931(18) 0.633550(18) 0.766911(14) 0.03032(7) Uani 1 d . . .
Sn5 Sn -0.215346(19) 0.823981(19) 0.582439(15) 0.03289(8) Uani 1 d . . .
Sn6 Sn -0.310472(18) 0.870600(18) 0.759387(14) 0.02881(7) Uani 1 d . . .
B101 B -0.1444(3) 0.6294(3) 0.9248(2) 0.0358(12) Uani 1 d . . .
B102 B -0.1055(3) 0.7263(3) 0.9458(2) 0.0314(11) Uani 1 d . . .
B103 B -0.1824(3) 0.7712(3) 0.9705(2) 0.0342(12) Uani 1 d . . .
B104 B -0.2690(3) 0.7018(4) 0.9657(2) 0.0383(13) Uani 1 d . . .
B105 B -0.2460(4) 0.6138(3) 0.9371(3) 0.0392(14) Uani 1 d . . .
B106 B -0.0859(3) 0.6559(3) 0.9925(3) 0.0366(13) Uani 1 d . . .
B107 B -0.1083(3) 0.7394(3) 1.0196(2) 0.0331(12) Uani 1 d . . .
B108 B -0.2041(3) 0.7250(4) 1.0315(2) 0.0350(12) Uani 1 d . . .
B109 B -0.2410(4) 0.6324(4) 1.0112(3) 0.0436(15) Uani 1 d . . .
B110 B -0.1681(4) 0.5906(3) 0.9874(3) 0.0415(14) Uani 1 d . . .
B111 B -0.1442(3) 0.6563(3) 1.0463(2) 0.0333(12) Uani 1 d . . .
B201 B -0.1229(3) 0.6172(3) 0.6678(3) 0.0379(13) Uani 1 d . . .
B202 B -0.1207(3) 0.6040(3) 0.7461(3) 0.0364(13) Uani 1 d . . .
B203 B -0.2080(3) 0.5410(3) 0.7525(3) 0.0352(12) Uani 1 d . . .
B204 B -0.2645(3) 0.5150(3) 0.6774(3) 0.0349(12) Uani 1 d . . .
B205 B -0.2110(4) 0.5633(3) 0.6250(2) 0.0370(13) Uani 1 d . . .
B206 B -0.0678(3) 0.5549(3) 0.7052(3) 0.0386(13) Uani 1 d . . .
B207 B -0.1182(3) 0.5100(3) 0.7550(3) 0.0375(13) Uani 1 d . . .
B208 B -0.2026(4) 0.4585(3) 0.7150(3) 0.0392(13) Uani 1 d . . .
B209 B -0.2046(4) 0.4712(3) 0.6394(3) 0.0426(15) Uani 1 d . . .
B210 B -0.1217(4) 0.5312(4) 0.6344(3) 0.0407(14) Uani 1 d . . .
B211 B -0.1169(4) 0.4653(3) 0.6878(3) 0.0392(13) Uani 1 d . . .
B301 B 0.0243(3) 0.8338(3) 0.6998(2) 0.0297(11) Uani 1 d . . .
B302 B -0.0029(3) 0.9245(3) 0.7128(2) 0.0303(11) Uani 1 d . . .
B303 B 0.0273(3) 0.9510(3) 0.7912(2) 0.0289(11) Uani 1 d . . .
B304 B 0.0747(3) 0.8733(3) 0.8271(2) 0.0288(11) Uani 1 d . . .
B305 B 0.0718(3) 0.8010(3) 0.7691(2) 0.0279(10) Uani 1 d . . .
B306 B 0.0811(3) 0.9140(3) 0.6867(2) 0.0336(12) Uani 1 d . . .
B307 B 0.0830(3) 0.9829(3) 0.7407(3) 0.0355(12) Uani 1 d . . .
B308 B 0.1280(3) 0.9523(3) 0.8079(3) 0.0350(12) Uani 1 d . . .
B309 B 0.1545(3) 0.8649(3) 0.7936(2) 0.0323(12) Uani 1 d . . .
B310 B 0.1254(3) 0.8409(3) 0.7198(3) 0.0329(12) Uani 1 d . . .
B311 B 0.1610(3) 0.9321(3) 0.7435(3) 0.0357(12) Uani 1 d . . .
B401 B -0.5918(3) 0.6648(3) 0.7493(2) 0.0335(12) Uani 1 d . . .
B402 B -0.5665(3) 0.6155(3) 0.6869(2) 0.0303(11) Uani 1 d . . .
B403 B -0.5319(3) 0.5294(3) 0.7128(2) 0.0306(11) Uani 1 d . . .
B404 B -0.5351(3) 0.5267(3) 0.7912(2) 0.0299(11) Uani 1 d . . .
B405 B -0.5730(3) 0.6094(3) 0.8133(2) 0.0319(11) Uani 1 d . . .
B406 B -0.6614(3) 0.6108(3) 0.6973(3) 0.0352(12) Uani 1 d . . .
B407 B -0.6265(3) 0.5307(3) 0.6763(2) 0.0360(13) Uani 1 d . . .
B408 B -0.6075(3) 0.4781(3) 0.7374(3) 0.0335(12) Uani 1 d . . .
B409 B -0.6314(3) 0.5257(3) 0.7968(2) 0.0324(12) Uani 1 d . . .
B410 B -0.6650(3) 0.6064(3) 0.7722(3) 0.0352(12) Uani 1 d . . .
B411 B -0.6882(3) 0.5263(3) 0.7271(2) 0.0344(12) Uani 1 d . . .
B501 B -0.3504(3) 0.8016(3) 0.5697(2) 0.0343(12) Uani 1 d . . .
B502 B -0.3123(4) 0.8999(4) 0.5793(3) 0.0397(14) Uani 1 d . . .
B503 B -0.2486(4) 0.9193(3) 0.5258(3) 0.0391(13) Uani 1 d . . .
B504 B -0.2471(4) 0.8319(3) 0.4829(3) 0.0388(13) Uani 1 d . . .
B505 B -0.3110(4) 0.7593(4) 0.5115(2) 0.0387(13) Uani 1 d . . .
B506 B -0.4031(4) 0.8687(4) 0.5396(3) 0.0490(18) Uani 1 d . . .
B507 B -0.3439(4) 0.9371(4) 0.5124(3) 0.0505(18) Uani 1 d . . .
B508 B -0.3049(4) 0.8975(4) 0.4566(3) 0.0432(15) Uani 1 d . . .
B509 B -0.3431(4) 0.8037(4) 0.4481(3) 0.0474(16) Uani 1 d . . .
B510 B -0.4043(4) 0.7850(5) 0.4991(3) 0.0516(18) Uani 1 d . . .
B511 B -0.4007(4) 0.8691(5) 0.4645(3) 0.057(2) Uani 1 d . . .
B601 B -0.3724(4) 0.9720(3) 0.7455(3) 0.0407(14) Uani 1 d . . .
B602 B -0.4071(3) 0.9119(3) 0.8001(2) 0.0299(11) Uani 1 d . . .
B603 B -0.3214(3) 0.8969(3) 0.8552(2) 0.0284(11) Uani 1 d . . .
B604 B -0.2349(4) 0.9471(4) 0.8338(3) 0.0488(18) Uani 1 d . . .
B605 B -0.2656(5) 0.9931(4) 0.7664(3) 0.0545(19) Uani 1 d . . .
B606 B -0.4107(5) 1.0062(3) 0.8033(3) 0.0465(16) Uani 1 d . . .
B607 B -0.3807(3) 0.9619(3) 0.8674(2) 0.0313(11) Uani 1 d . . .
B608 B -0.2800(4) 0.9825(4) 0.8873(3) 0.0430(15) Uani 1 d . . .
B609 B -0.2475(5) 1.0390(4) 0.8354(3) 0.069(3) Uani 1 d . . .
B610 B -0.3271(7) 1.0539(4) 0.7836(4) 0.072(3) Uani 1 d . . .
B611 B -0.3350(5) 1.0490(4) 0.8572(3) 0.057(2) Uani 1 d . . .
H101 H -0.124(3) 0.597(3) 0.896(2) 0.034(14) Uiso 1 d . . .
H102 H -0.058(3) 0.754(3) 0.928(2) 0.039(15) Uiso 1 d . . .
H103 H -0.184(3) 0.831(3) 0.968(3) 0.055(18) Uiso 1 d . . .
H104 H -0.328(3) 0.712(3) 0.962(2) 0.046(16) Uiso 1 d . . .
H105 H -0.284(3) 0.568(3) 0.912(3) 0.056(18) Uiso 1 d . . .
H106 H -0.029(3) 0.643(3) 1.005(2) 0.033(13) Uiso 1 d . . .
H107 H -0.063(3) 0.779(3) 1.047(3) 0.056(18) Uiso 1 d . . .
H108 H -0.220(3) 0.758(3) 1.067(3) 0.051(17) Uiso 1 d . . .
H109 H -0.281(3) 0.599(3) 1.032(3) 0.055(18) Uiso 1 d . . .
H110 H -0.165(3) 0.532(3) 0.992(3) 0.051(17) Uiso 1 d . . .
H111 H -0.124(3) 0.639(3) 1.092(2) 0.047(16) Uiso 1 d . . .
H201 H -0.093(3) 0.664(3) 0.652(2) 0.039(15) Uiso 1 d . . .
H202 H -0.094(3) 0.643(3) 0.782(2) 0.027(12) Uiso 1 d . . .
H203 H -0.237(3) 0.539(3) 0.792(3) 0.051(17) Uiso 1 d . . .
H204 H -0.321(3) 0.499(3) 0.667(2) 0.026(12) Uiso 1 d . . .
H205 H -0.242(3) 0.576(3) 0.584(2) 0.034(14) Uiso 1 d . . .
H206 H -0.003(3) 0.574(3) 0.712(2) 0.045(16) Uiso 1 d . . .
H207 H -0.089(3) 0.491(3) 0.798(3) 0.055(18) Uiso 1 d . . .
H208 H -0.225(3) 0.410(3) 0.730(2) 0.035(14) Uiso 1 d . . .
H209 H -0.232(3) 0.430(3) 0.605(2) 0.038(14) Uiso 1 d . . .
H210 H -0.092(3) 0.528(3) 0.597(2) 0.047(16) Uiso 1 d . . .
H211 H -0.087(3) 0.416(3) 0.684(2) 0.049(16) Uiso 1 d . . .
H301 H 0.000(3) 0.796(3) 0.660(2) 0.037(14) Uiso 1 d . . .
H302 H -0.051(3) 0.944(3) 0.686(2) 0.032(13) Uiso 1 d . . .
H303 H 0.001(3) 0.990(3) 0.814(2) 0.040(15) Uiso 1 d . . .
H304 H 0.078(3) 0.863(3) 0.871(3) 0.055(18) Uiso 1 d . . .
H305 H 0.070(3) 0.742(3) 0.776(2) 0.041(15) Uiso 1 d . . .
H306 H 0.087(3) 0.926(3) 0.645(3) 0.048(16) Uiso 1 d . . .
H307 H 0.092(3) 1.041(3) 0.733(2) 0.041(15) Uiso 1 d . . .
H308 H 0.163(3) 0.993(3) 0.841(2) 0.033(14) Uiso 1 d . . .
H309 H 0.207(3) 0.845(3) 0.822(3) 0.052(17) Uiso 1 d . . .
H310 H 0.155(3) 0.809(3) 0.696(2) 0.043(15) Uiso 1 d . . .
H311 H 0.216(3) 0.961(3) 0.735(2) 0.035(14) Uiso 1 d . . .
H401 H -0.592(3) 0.724(3) 0.753(2) 0.026(12) Uiso 1 d . . .
H402 H -0.547(3) 0.640(3) 0.649(2) 0.030(13) Uiso 1 d . . .
H403 H -0.491(2) 0.505(2) 0.6920(19) 0.018(11) Uiso 1 d . . .
H404 H -0.498(3) 0.494(3) 0.821(2) 0.030(13) Uiso 1 d . . .
H405 H -0.560(3) 0.637(3) 0.861(2) 0.042(15) Uiso 1 d . . .
H406 H -0.703(3) 0.637(3) 0.664(2) 0.042(15) Uiso 1 d . . .
H407 H -0.642(3) 0.504(3) 0.631(2) 0.034(14) Uiso 1 d . . .
H408 H -0.614(3) 0.417(3) 0.737(2) 0.036(14) Uiso 1 d . . .
H409 H -0.654(3) 0.498(3) 0.830(3) 0.052(17) Uiso 1 d . . .
H410 H -0.712(3) 0.629(3) 0.792(2) 0.044(15) Uiso 1 d . . .
H411 H -0.748(3) 0.499(3) 0.718(2) 0.046(16) Uiso 1 d . . .
H501 H -0.374(3) 0.766(3) 0.602(3) 0.052(17) Uiso 1 d . . .
H502 H -0.302(4) 0.933(3) 0.624(3) 0.060(19) Uiso 1 d . . .
H503 H -0.203(3) 0.968(3) 0.531(2) 0.038(14) Uiso 1 d . . .
H504 H -0.200(3) 0.817(3) 0.461(2) 0.048(16) Uiso 1 d . . .
H505 H -0.304(3) 0.701(3) 0.510(2) 0.042(15) Uiso 1 d . . .
H506 H -0.452(4) 0.878(4) 0.552(3) 0.07(2) Uiso 1 d . . .
H507 H -0.355(3) 0.997(3) 0.511(2) 0.044(16) Uiso 1 d . . .
H508 H -0.292(3) 0.926(3) 0.420(2) 0.043(15) Uiso 1 d . . .
H509 H -0.351(3) 0.774(3) 0.406(2) 0.041(15) Uiso 1 d . . .
H510 H -0.456(5) 0.743(4) 0.494(3) 0.10(3) Uiso 1 d . . .
H511 H -0.452(4) 0.880(4) 0.432(3) 0.07(2) Uiso 1 d . . .
H601 H -0.402(3) 0.975(3) 0.703(2) 0.036(14) Uiso 1 d . . .
H602 H -0.461(3) 0.876(3) 0.792(2) 0.041(15) Uiso 1 d . . .
H603 H -0.321(3) 0.851(3) 0.878(2) 0.028(13) Uiso 1 d . . .
H604 H -0.181(4) 0.928(3) 0.847(3) 0.054(18) Uiso 1 d . . .
H605 H -0.231(3) 1.009(3) 0.734(3) 0.055(18) Uiso 1 d . . .
H606 H -0.472(3) 1.024(3) 0.794(3) 0.056(18) Uiso 1 d . . .
H607 H -0.419(3) 0.954(3) 0.903(2) 0.035(14) Uiso 1 d . . .
H608 H -0.253(3) 0.987(3) 0.936(3) 0.054(17) Uiso 1 d . . .
H609 H -0.205(4) 1.084(4) 0.845(3) 0.07(2) Uiso 1 d . . .
H610 H -0.331(5) 1.104(5) 0.759(4) 0.10(3) Uiso 1 d . . .
H611 H -0.339(3) 1.096(3) 0.884(2) 0.047(16) Uiso 1 d . . .
N7 N 0.5000 0.5000 0.5000 0.0314(12) Uiso 1 d S . .
N8 N 0.0000 0.0000 0.0000 0.0323(12) Uiso 1 d S . .
N9 N 0.5000 0.5000 0.0000 0.0340(13) Uiso 1 d S . .
N10 N 0.0000 0.0000 0.5000 0.0419(15) Uiso 1 d S . .
C71 C 0.5282(7) 0.4357(6) 0.5362(5) 0.047(3) Uiso 0.50 d P A -1
H71A H 0.5347 0.4501 0.5768 0.057 Uiso 0.50 calc PR A -1
H71B H 0.4885 0.3942 0.5284 0.057 Uiso 0.50 calc PR A -1
C72 C 0.5992(8) 0.4129(7) 0.5253(6) 0.051(3) Uiso 0.50 d P A -1
H72A H 0.6120 0.3741 0.5496 0.077 Uiso 0.50 calc PR A -1
H72B H 0.6394 0.4532 0.5336 0.077 Uiso 0.50 calc PR A -1
H72C H 0.5931 0.3964 0.4857 0.077 Uiso 0.50 calc PR A -1
C73 C 0.4262(7) 0.5096(7) 0.5208(6) 0.054(3) Uiso 0.50 d P A -1
H73A H 0.3926 0.4638 0.5138 0.064 Uiso 0.50 calc PR A -1
H73B H 0.4380 0.5201 0.5621 0.064 Uiso 0.50 calc PR A -1
C74 C 0.3840(9) 0.5677(8) 0.4938(7) 0.065(4) Uiso 0.50 d P A -1
H74A H 0.3383 0.5691 0.5095 0.097 Uiso 0.50 calc PR A -1
H74B H 0.3707 0.5575 0.4529 0.097 Uiso 0.50 calc PR A -1
H74C H 0.4158 0.6137 0.5017 0.097 Uiso 0.50 calc PR A -1
C75 C 0.5567(6) 0.5653(6) 0.5107(5) 0.041(2) Uiso 0.50 d P A -1
H75A H 0.5379 0.6021 0.4858 0.049 Uiso 0.50 calc PR A -1
H75B H 0.6032 0.5536 0.4991 0.049 Uiso 0.50 calc PR A -1
C76 C 0.5771(10) 0.5977(10) 0.5712(7) 0.045(5) Uiso 0.50 d P A -1
H76A H 0.6145 0.6399 0.5728 0.068 Uiso 0.50 calc PR A -1
H76B H 0.5977 0.5627 0.5964 0.068 Uiso 0.50 calc PR A -1
H76C H 0.5322 0.6114 0.5831 0.068 Uiso 0.50 calc PR A -1
C77 C 0.4841(6) 0.4760(6) 0.4366(5) 0.040(2) Uiso 0.50 d P A -1
H77A H 0.4615 0.5140 0.4151 0.048 Uiso 0.50 calc PR A -1
H77B H 0.5327 0.4725 0.4248 0.048 Uiso 0.50 calc PR A -1
C78 C 0.4331(8) 0.4056(8) 0.4188(7) 0.036(4) Uiso 0.50 d P A -1
H78A H 0.4271 0.3966 0.3779 0.053 Uiso 0.50 calc PR A -1
H78B H 0.3840 0.4083 0.4291 0.053 Uiso 0.50 calc PR A -1
H78C H 0.4555 0.3667 0.4382 0.053 Uiso 0.50 calc PR A -1
C81 C -0.0200(6) 0.0015(6) 0.0572(4) 0.037(2) Uiso 0.50 d P B -1
H81A H -0.0328 0.0492 0.0661 0.044 Uiso 0.50 calc PR B -1
H81B H 0.0238 -0.0069 0.0855 0.044 Uiso 0.50 calc PR B -1
C82 C -0.0945(8) -0.0618(8) 0.0615(7) 0.044(4) Uiso 0.50 d P B -1
H82A H -0.1060 -0.0594 0.0997 0.066 Uiso 0.50 calc PR B -1
H82B H -0.0818 -0.1091 0.0532 0.066 Uiso 0.50 calc PR B -1
H82C H -0.1383 -0.0530 0.0341 0.066 Uiso 0.50 calc PR B -1
C83 C 0.0713(6) 0.0547(5) 0.0012(4) 0.034(2) Uiso 0.50 d P B -1
H83A H 0.1101 0.0470 0.0338 0.041 Uiso 0.50 calc PR B -1
H83B H 0.0590 0.1037 0.0055 0.041 Uiso 0.50 calc PR B -1
C84 C 0.1015(8) 0.0455(8) -0.0547(6) 0.039(3) Uiso 0.50 d P B -1
H84A H 0.1464 0.0800 -0.0539 0.059 Uiso 0.50 calc PR B -1
H84B H 0.0631 0.0536 -0.0868 0.059 Uiso 0.50 calc PR B -1
H84C H 0.1141 -0.0028 -0.0585 0.059 Uiso 0.50 calc PR B -1
C85 C 0.0090(6) -0.0739(6) -0.0226(5) 0.042(2) Uiso 0.50 d P B -1
H85A H 0.0182 -0.0707 -0.0618 0.051 Uiso 0.50 calc PR B -1
H85B H -0.0383 -0.1061 -0.0237 0.051 Uiso 0.50 calc PR B -1
C86 C 0.0736(8) -0.1063(8) 0.0133(6) 0.052(3) Uiso 0.50 d P B -1
H86A H 0.0770 -0.1533 -0.0033 0.078 Uiso 0.50 calc PR B -1
H86B H 0.0642 -0.1110 0.0518 0.078 Uiso 0.50 calc PR B -1
H86C H 0.1208 -0.0751 0.0141 0.078 Uiso 0.50 calc PR B -1
C87 C -0.0654(7) 0.0240(6) -0.0463(5) 0.044(3) Uiso 0.50 d P B -1
H87A H -0.0495 0.0230 -0.0835 0.053 Uiso 0.50 calc PR B -1
H87B H -0.1105 -0.0117 -0.0490 0.053 Uiso 0.50 calc PR B -1
C88 C -0.0875(8) 0.0978(8) -0.0353(6) 0.051(3) Uiso 0.50 d P B -1
H88A H -0.1274 0.1072 -0.0658 0.077 Uiso 0.50 calc PR B -1
H88B H -0.0439 0.1341 -0.0338 0.077 Uiso 0.50 calc PR B -1
H88C H -0.1051 0.0993 0.0007 0.077 Uiso 0.50 calc PR B -1
C91 C 0.5143(7) 0.5281(7) 0.0613(5) 0.050(3) Uiso 0.50 d P C -1
H91A H 0.5450 0.4966 0.0845 0.059 Uiso 0.50 calc PR C -1
H91B H 0.4658 0.5256 0.0743 0.059 Uiso 0.50 calc PR C -1
C92 C 0.5542(8) 0.6051(8) 0.0717(7) 0.054(3) Uiso 0.50 d P C -1
H92A H 0.5617 0.6189 0.1120 0.081 Uiso 0.50 calc PR C -1
H92B H 0.5236 0.6371 0.0501 0.081 Uiso 0.50 calc PR C -1
H92C H 0.6029 0.6081 0.0598 0.081 Uiso 0.50 calc PR C -1
C93 C 0.4589(7) 0.4214(7) 0.0020(5) 0.050(3) Uiso 0.50 d P C -1
H93A H 0.4888 0.3976 0.0323 0.060 Uiso 0.50 calc PR C -1
H93B H 0.4099 0.4249 0.0131 0.060 Uiso 0.50 calc PR C -1
C94 C 0.4449(9) 0.3734(9) -0.0517(7) 0.065(4) Uiso 0.50 d P C -1
H94A H 0.4189 0.3269 -0.0449 0.097 Uiso 0.50 calc PR C -1
H94B H 0.4929 0.3671 -0.0626 0.097 Uiso 0.50 calc PR C -1
H94C H 0.4141 0.3952 -0.0822 0.097 Uiso 0.50 calc PR C -1
C95 C 0.4594(7) 0.5425(6) -0.0420(5) 0.046(3) Uiso 0.50 d P C -1
H95A H 0.4527 0.5175 -0.0796 0.055 Uiso 0.50 calc PR C -1
H95B H 0.4909 0.5887 -0.0434 0.055 Uiso 0.50 calc PR C -1
C96 C 0.3809(9) 0.5574(8) -0.0312(7) 0.052(4) Uiso 0.50 d P C -1
H96A H 0.3582 0.5857 -0.0613 0.079 Uiso 0.50 calc PR C -1
H96B H 0.3868 0.5837 0.0053 0.079 Uiso 0.50 calc PR C -1
H96C H 0.3486 0.5122 -0.0308 0.079 Uiso 0.50 calc PR C -1
C97 C 0.5771(6) 0.4937(6) -0.0191(5) 0.041(2) Uiso 0.50 d P C -1
H97A H 0.5662 0.4771 -0.0594 0.049 Uiso 0.50 calc PR C -1
H97B H 0.6054 0.5421 -0.0166 0.049 Uiso 0.50 calc PR C -1
C98 C 0.6278(10) 0.4462(9) 0.0119(7) 0.063(4) Uiso 0.50 d P C -1
H98A H 0.6732 0.4476 -0.0045 0.094 Uiso 0.50 calc PR C -1
H98B H 0.6020 0.3973 0.0088 0.094 Uiso 0.50 calc PR C -1
H98C H 0.6413 0.4626 0.0518 0.094 Uiso 0.50 calc PR C -1
C101 C -0.0785(7) -0.0241(7) 0.4629(5) 0.051(3) Uiso 0.50 d P D -1
H10A H -0.1089 -0.0544 0.4855 0.061 Uiso 0.50 calc PR D -1
H10B H -0.1033 0.0187 0.4545 0.061 Uiso 0.50 calc PR D -1
C102 C -0.0801(8) -0.0640(7) 0.4084(6) 0.052(3) Uiso 0.50 d P D -1
H10C H -0.1321 -0.0765 0.3889 0.078 Uiso 0.50 calc PR D -1
H10D H -0.0573 -0.1076 0.4157 0.078 Uiso 0.50 calc PR D -1
H10E H -0.0521 -0.0343 0.3846 0.078 Uiso 0.50 calc PR D -1
C103 C -0.0185(8) 0.0331(8) 0.5571(6) 0.059(3) Uiso 0.50 d P D -1
H10F H -0.0557 0.0663 0.5470 0.070 Uiso 0.50 calc PR D -1
H10G H -0.0419 -0.0059 0.5772 0.070 Uiso 0.50 calc PR D -1
C104 C 0.0485(8) 0.0726(8) 0.5971(6) 0.057(3) Uiso 0.50 d P D -1
H10H H 0.0321 0.0910 0.6307 0.086 Uiso 0.50 calc PR D -1
H10I H 0.0714 0.1123 0.5781 0.086 Uiso 0.50 calc PR D -1
H10J H 0.0852 0.0400 0.6084 0.086 Uiso 0.50 calc PR D -1
C105 C 0.0466(7) -0.0553(7) 0.5086(6) 0.055(3) Uiso 0.50 d P D -1
H10K H 0.0902 -0.0380 0.5385 0.066 Uiso 0.50 calc PR D -1
H10L H 0.0659 -0.0633 0.4734 0.066 Uiso 0.50 calc PR D -1
C106 C 0.0063(13) -0.1353(12) 0.5269(9) 0.062(6) Uiso 0.50 d P D -1
H10M H 0.0436 -0.1684 0.5323 0.092 Uiso 0.50 calc PR D -1
H10N H -0.0353 -0.1547 0.4968 0.092 Uiso 0.50 calc PR D -1
H10O H -0.0124 -0.1287 0.5621 0.092 Uiso 0.50 calc PR D -1
C107 C 0.0393(7) 0.0650(7) 0.4717(5) 0.050(3) Uiso 0.50 d P D -1
H10P H 0.0898 0.0797 0.4945 0.060 Uiso 0.50 calc PR D -1
H10Q H 0.0459 0.0485 0.4338 0.060 Uiso 0.50 calc PR D -1
C108 C 0.0020(12) 0.1245(11) 0.4658(9) 0.055(5) Uiso 0.50 d P D -1
H10R H 0.0309 0.1614 0.4479 0.082 Uiso 0.50 calc PR D -1
H10S H -0.0036 0.1427 0.5031 0.082 Uiso 0.50 calc PR D -1
H10T H -0.0475 0.1114 0.4422 0.082 Uiso 0.50 calc PR D -1
N1 N 0.0600(3) 0.7908(3) 0.2240(2) 0.0441(11) Uiso 1 d . . .
C11 C 0.0752(6) 0.7759(5) 0.1642(4) 0.090(3) Uiso 1 d . . .
H11A H 0.1293 0.7883 0.1637 0.108 Uiso 1 calc R . .
H11B H 0.0471 0.8054 0.1372 0.108 Uiso 1 calc R . .
C12 C 0.0499(7) 0.6943(6) 0.1464(5) 0.127(4) Uiso 1 d . . .
H12A H 0.0590 0.6846 0.1082 0.190 Uiso 1 calc R . .
H12B H -0.0036 0.6823 0.1470 0.190 Uiso 1 calc R . .
H12C H 0.0785 0.6653 0.1729 0.190 Uiso 1 calc R . .
C13 C 0.1035(4) 0.7469(4) 0.2664(3) 0.072(2) Uiso 1 d . . .
H13A H 0.0849 0.6959 0.2567 0.086 Uiso 1 calc R . .
H13B H 0.0927 0.7582 0.3043 0.086 Uiso 1 calc R . .
C14 C 0.1908(5) 0.7584(5) 0.2698(4) 0.077(2) Uiso 1 d . . .
H14A H 0.2140 0.7280 0.2981 0.115 Uiso 1 calc R . .
H14B H 0.2103 0.8084 0.2806 0.115 Uiso 1 calc R . .
H14C H 0.2025 0.7460 0.2329 0.115 Uiso 1 calc R . .
C15 C 0.0877(5) 0.8706(5) 0.2373(4) 0.084(2) Uiso 1 d . . .
H15A H 0.0571 0.8982 0.2102 0.100 Uiso 1 calc R . .
H15B H 0.1401 0.8805 0.2315 0.100 Uiso 1 calc R . .
C16 C 0.0841(6) 0.8971(5) 0.2986(4) 0.098(3) Uiso 1 d . . .
H16A H 0.1029 0.9481 0.3040 0.146 Uiso 1 calc R . .
H16B H 0.1149 0.8708 0.3258 0.146 Uiso 1 calc R . .
H16C H 0.0321 0.8893 0.3044 0.146 Uiso 1 calc R . .
C17 C -0.0222(5) 0.7741(5) 0.2276(4) 0.079(2) Uiso 1 d . . .
H17A H -0.0287 0.7865 0.2665 0.095 Uiso 1 calc R . .
H17B H -0.0379 0.7223 0.2202 0.095 Uiso 1 calc R . .
C18 C -0.0750(4) 0.8156(4) 0.1843(3) 0.072(2) Uiso 1 d . . .
H18A H -0.1272 0.8027 0.1887 0.107 Uiso 1 calc R . .
H18B H -0.0700 0.8026 0.1456 0.107 Uiso 1 calc R . .
H18C H -0.0606 0.8670 0.1918 0.107 Uiso 1 calc R . .
N2 N 0.6357(2) 0.9877(2) 0.08012(17) 0.0304(8) Uiso 1 d . . .
C21 C 0.6851(3) 0.9272(3) 0.0775(2) 0.0363(11) Uiso 1 d . . .
H21A H 0.7381 0.9490 0.0832 0.044 Uiso 1 calc R . .
H21B H 0.6795 0.8963 0.1094 0.044 Uiso 1 calc R . .
C22 C 0.6677(3) 0.8803(3) 0.0229(2) 0.0450(13) Uiso 1 d . . .
H22A H 0.7017 0.8441 0.0254 0.068 Uiso 1 calc R . .
H22B H 0.6745 0.9098 -0.0090 0.068 Uiso 1 calc R . .
H22C H 0.6159 0.8570 0.0172 0.068 Uiso 1 calc R . .
C23 C 0.5521(3) 0.9574(3) 0.0662(2) 0.0401(12) Uiso 1 d . . .
H23A H 0.5224 0.9969 0.0697 0.048 Uiso 1 calc R . .
H23B H 0.5401 0.9389 0.0264 0.048 Uiso 1 calc R . .
C24 C 0.5273(4) 0.8978(4) 0.1035(3) 0.0606(17) Uiso 1 d . . .
H24A H 0.4736 0.8819 0.0916 0.091 Uiso 1 calc R . .
H24B H 0.5372 0.9159 0.1430 0.091 Uiso 1 calc R . .
H24C H 0.5552 0.8578 0.0997 0.091 Uiso 1 calc R . .
C25 C 0.6578(3) 1.0230(3) 0.1404(2) 0.0387(11) Uiso 1 d . . .
H25A H 0.6478 0.9864 0.1676 0.046 Uiso 1 calc R . .
H25B H 0.7123 1.0391 0.1478 0.046 Uiso 1 calc R . .
C26 C 0.6174(3) 1.0866(3) 0.1519(3) 0.0468(13) Uiso 1 d . . .
H26A H 0.6351 1.1051 0.1910 0.070 Uiso 1 calc R . .
H26B H 0.5634 1.0712 0.1460 0.070 Uiso 1 calc R . .
H26C H 0.6281 1.1240 0.1262 0.070 Uiso 1 calc R . .
C27 C 0.6487(3) 1.0419(3) 0.0351(2) 0.0414(12) Uiso 1 d . . .
H27A H 0.6130 1.0769 0.0354 0.050 Uiso 1 calc R . .
H27B H 0.6367 1.0163 -0.0025 0.050 Uiso 1 calc R . .
C28 C 0.7285(4) 1.0829(3) 0.0424(3) 0.0537(15) Uiso 1 d . . .
H28A H 0.7310 1.1159 0.0120 0.081 Uiso 1 calc R . .
H28B H 0.7644 1.0492 0.0409 0.081 Uiso 1 calc R . .
H28C H 0.7407 1.1098 0.0790 0.081 Uiso 1 calc R . .
N3 N 0.8672(3) 0.3817(2) 0.1080(2) 0.0419(10) Uiso 1 d . . .
C31 C 0.8827(4) 0.4440(4) 0.0707(3) 0.0417(18) Uiso 0.713(6) d P E 1
H31A H 0.8513 0.4806 0.0783 0.050 Uiso 0.713(6) calc PR E 1
H31B H 0.8655 0.4265 0.0308 0.050 Uiso 0.713(6) calc PR E 1
C32 C 0.9642(5) 0.4811(5) 0.0766(4) 0.0433(19) Uiso 0.713(6) d P E 1
H32A H 0.9660 0.5197 0.0504 0.065 Uiso 0.713(6) calc PR E 1
H32B H 0.9963 0.4464 0.0677 0.065 Uiso 0.713(6) calc PR E 1
H32C H 0.9820 0.5008 0.1154 0.065 Uiso 0.713(6) calc PR E 1
C33 C 0.9019(4) 0.4070(4) 0.1724(3) 0.0404(18) Uiso 0.713(6) d P E 1
H33A H 0.8904 0.3676 0.1968 0.048 Uiso 0.713(6) calc PR E 1
H33B H 0.9570 0.4170 0.1765 0.048 Uiso 0.713(6) calc PR E 1
C34 C 0.8725(5) 0.4735(5) 0.1929(4) 0.049(2) Uiso 0.713(6) d P E 1
H34A H 0.8958 0.4859 0.2324 0.073 Uiso 0.713(6) calc PR E 1
H34B H 0.8181 0.4637 0.1899 0.073 Uiso 0.713(6) calc PR E 1
H34C H 0.8849 0.5132 0.1696 0.073 Uiso 0.713(6) calc PR E 1
C35 C 0.7859(4) 0.3566(4) 0.0996(4) 0.0433(19) Uiso 0.713(6) d P E 1
H35A H 0.7663 0.3489 0.0586 0.052 Uiso 0.713(6) calc PR E 1
H35B H 0.7608 0.3946 0.1141 0.052 Uiso 0.713(6) calc PR E 1
C36 C 0.7642(6) 0.2869(5) 0.1288(4) 0.048(2) Uiso 0.713(6) d P E 1
H36A H 0.7097 0.2743 0.1211 0.073 Uiso 0.713(6) calc PR E 1
H36B H 0.7819 0.2940 0.1696 0.073 Uiso 0.713(6) calc PR E 1
H36C H 0.7874 0.2483 0.1140 0.073 Uiso 0.713(6) calc PR E 1
C37 C 0.9149(4) 0.3207(4) 0.0961(3) 0.0401(18) Uiso 0.713(6) d P E 1
H37A H 0.9682 0.3414 0.1002 0.048 Uiso 0.713(6) calc PR E 1
H37B H 0.9113 0.2846 0.1246 0.048 Uiso 0.713(6) calc PR E 1
C38 C 0.8888(6) 0.2842(5) 0.0367(4) 0.053(2) Uiso 0.713(6) d P E 1
H38A H 0.9203 0.2474 0.0314 0.079 Uiso 0.713(6) calc PR E 1
H38B H 0.8931 0.3196 0.0082 0.079 Uiso 0.713(6) calc PR E 1
H38C H 0.8366 0.2624 0.0326 0.079 Uiso 0.713(6) calc PR E 1
C31A C 0.9390(13) 0.3961(13) 0.1228(10) 0.057(6) Uiso 0.287(6) d P E 2
H31C H 0.9610 0.3532 0.1135 0.068 Uiso 0.287(6) calc PR E 2
H31D H 0.9504 0.4040 0.1644 0.068 Uiso 0.287(6) calc PR E 2
C32A C 0.9798(18) 0.4594(16) 0.0976(13) 0.076(8) Uiso 0.287(6) d P E 2
H32D H 1.0335 0.4638 0.1129 0.114 Uiso 0.287(6) calc PR E 2
H32E H 0.9605 0.5031 0.1075 0.114 Uiso 0.287(6) calc PR E 2
H32F H 0.9714 0.4519 0.0565 0.114 Uiso 0.287(6) calc PR E 2
C33A C 0.8183(11) 0.4495(10) 0.1142(8) 0.042(5) Uiso 0.287(6) d P E 2
H33C H 0.8270 0.4844 0.0856 0.050 Uiso 0.287(6) calc PR E 2
H33D H 0.7641 0.4316 0.1079 0.050 Uiso 0.287(6) calc PR E 2
C34A C 0.8427(12) 0.4852(11) 0.1729(9) 0.043(5) Uiso 0.287(6) d P E 2
H34D H 0.8145 0.5251 0.1766 0.065 Uiso 0.287(6) calc PR E 2
H34E H 0.8963 0.5028 0.1790 0.065 Uiso 0.287(6) calc PR E 2
H34F H 0.8332 0.4506 0.2011 0.065 Uiso 0.287(6) calc PR E 2
C35A C 0.8196(12) 0.3195(12) 0.1372(9) 0.048(5) Uiso 0.287(6) d P E 2
H35C H 0.8492 0.2791 0.1412 0.058 Uiso 0.287(6) calc PR E 2
H35D H 0.8190 0.3380 0.1759 0.058 Uiso 0.287(6) calc PR E 2
C36A C 0.7383(13) 0.2877(13) 0.1115(11) 0.048(5) Uiso 0.287(6) d P E 2
H36D H 0.7203 0.2514 0.1358 0.071 Uiso 0.287(6) calc PR E 2
H36E H 0.7367 0.2661 0.0738 0.071 Uiso 0.287(6) calc PR E 2
H36F H 0.7063 0.3256 0.1087 0.071 Uiso 0.287(6) calc PR E 2
C37A C 0.8330(12) 0.3618(11) 0.0391(8) 0.044(5) Uiso 0.287(6) d P E 2
H37C H 0.7776 0.3531 0.0326 0.053 Uiso 0.287(6) calc PR E 2
H37D H 0.8483 0.4020 0.0165 0.053 Uiso 0.287(6) calc PR E 2
C38A C 0.8637(14) 0.2948(13) 0.0210(11) 0.053(6) Uiso 0.287(6) d P E 2
H38D H 0.8441 0.2825 -0.0191 0.079 Uiso 0.287(6) calc PR E 2
H38E H 0.8483 0.2553 0.0435 0.079 Uiso 0.287(6) calc PR E 2
H38F H 0.9185 0.3040 0.0272 0.079 Uiso 0.287(6) calc PR E 2
N4 N 0.6401(2) 0.1441(2) 0.38381(17) 0.0317(9) Uiso 1 d . . .
C42 C 0.5133(3) 0.1867(3) 0.3424(2) 0.0397(12) Uiso 1 d . . .
H42A H 0.4898 0.2130 0.3113 0.048 Uiso 0.777(6) calc PR F 1
H42B H 0.5112 0.2107 0.3785 0.048 Uiso 0.777(6) calc PR F 1
H42C H 0.4867 0.1382 0.3404 0.048 Uiso 0.777(6) calc PR F 1
H42D H 0.4616 0.1791 0.3475 0.048 Uiso 0.223(6) d PR F 2
H42E H 0.5167 0.1725 0.3036 0.048 Uiso 0.223(6) d PR F 2
H42F H 0.5337 0.2373 0.3500 0.048 Uiso 0.223(6) d PR F 2
C41 C 0.5948(3) 0.1836(3) 0.3378(3) 0.0308(13) Uiso 0.777(6) d P F 1
H41A H 0.6203 0.2330 0.3384 0.037 Uiso 0.777(6) calc PR F 1
H41B H 0.5959 0.1605 0.3006 0.037 Uiso 0.777(6) calc PR F 1
C43 C 0.6025(4) 0.0654(3) 0.3850(3) 0.0355(15) Uiso 0.777(6) d P F 1
H43A H 0.6309 0.0423 0.4166 0.043 Uiso 0.777(6) calc PR F 1
H43B H 0.5511 0.0657 0.3924 0.043 Uiso 0.777(6) calc PR F 1
C44 C 0.5988(5) 0.0212(5) 0.3298(4) 0.055(2) Uiso 0.777(6) d P F 1
H44A H 0.5747 -0.0273 0.3332 0.083 Uiso 0.777(6) calc PR F 1
H44B H 0.6496 0.0195 0.3227 0.083 Uiso 0.777(6) calc PR F 1
H44C H 0.5698 0.0431 0.2984 0.083 Uiso 0.777(6) calc PR F 1
C45 C 0.7188(4) 0.1488(4) 0.3743(3) 0.0410(16) Uiso 0.777(6) d P F 1
H45A H 0.7405 0.1996 0.3769 0.049 Uiso 0.777(6) calc PR F 1
H45B H 0.7181 0.1301 0.3354 0.049 Uiso 0.777(6) calc PR F 1
C46 C 0.7719(6) 0.1072(6) 0.4169(4) 0.058(3) Uiso 0.777(6) d P F 1
H46A H 0.8221 0.1129 0.4075 0.087 Uiso 0.777(6) calc PR F 1
H46B H 0.7517 0.0566 0.4142 0.087 Uiso 0.777(6) calc PR F 1
H46C H 0.7747 0.1265 0.4555 0.087 Uiso 0.777(6) calc PR F 1
C47 C 0.6361(4) 0.1780(4) 0.4441(3) 0.0389(16) Uiso 0.777(6) d P F 1
H47A H 0.5833 0.1711 0.4495 0.047 Uiso 0.777(6) calc PR F 1
H47B H 0.6651 0.1520 0.4735 0.047 Uiso 0.777(6) calc PR F 1
C48 C 0.6657(5) 0.2566(5) 0.4527(4) 0.058(2) Uiso 0.777(6) d P F 1
H48A H 0.6615 0.2737 0.4906 0.087 Uiso 0.777(6) calc PR F 1
H48B H 0.6364 0.2830 0.4244 0.087 Uiso 0.777(6) calc PR F 1
H48C H 0.7183 0.2639 0.4485 0.087 Uiso 0.777(6) calc PR F 1
C41A C 0.5669(13) 0.1376(13) 0.3878(10) 0.038(5) Uiso 0.223(6) d P F 2
H41C H 0.5630 0.1517 0.4269 0.046 Uiso 0.223(6) calc PR F 2
H41D H 0.5456 0.0868 0.3808 0.046 Uiso 0.223(6) calc PR F 2
C43A C 0.6533(13) 0.1120(12) 0.3221(10) 0.036(5) Uiso 0.223(6) d P F 2
H43C H 0.6307 0.1408 0.2918 0.043 Uiso 0.223(6) calc PR F 2
H43D H 0.7077 0.1164 0.3220 0.043 Uiso 0.223(6) calc PR F 2
C44A C 0.6184(13) 0.0318(12) 0.3091(11) 0.034(5) Uiso 0.223(6) d P F 2
H44D H 0.6272 0.0157 0.2721 0.050 Uiso 0.223(6) calc PR F 2
H44E H 0.5645 0.0271 0.3088 0.050 Uiso 0.223(6) calc PR F 2
H44F H 0.6418 0.0027 0.3383 0.050 Uiso 0.223(6) calc PR F 2
C45A C 0.6892(12) 0.1022(12) 0.4270(9) 0.032(5) Uiso 0.223(6) d P F 2
H45C H 0.6770 0.0508 0.4158 0.039 Uiso 0.223(6) calc PR F 2
H45D H 0.6758 0.1093 0.4646 0.039 Uiso 0.223(6) calc PR F 2
C46A C 0.7788(15) 0.1251(16) 0.4322(12) 0.036(6) Uiso 0.223(6) d P F 2
H46D H 0.8057 0.0967 0.4602 0.053 Uiso 0.223(6) calc PR F 2
H46E H 0.7917 0.1757 0.4440 0.053 Uiso 0.223(6) calc PR F 2
H46F H 0.7930 0.1168 0.3954 0.053 Uiso 0.223(6) calc PR F 2
C47A C 0.6868(13) 0.2225(12) 0.3816(10) 0.035(5) Uiso 0.223(6) d P F 2
H47C H 0.7397 0.2181 0.3800 0.042 Uiso 0.223(6) calc PR F 2
H47D H 0.6654 0.2457 0.3473 0.042 Uiso 0.223(6) calc PR F 2
C48A C 0.6826(13) 0.2700(12) 0.4368(10) 0.028(5) Uiso 0.223(6) d P F 2
H48D H 0.7112 0.3172 0.4358 0.042 Uiso 0.223(6) calc PR F 2
H48E H 0.7039 0.2469 0.4706 0.042 Uiso 0.223(6) calc PR F 2
H48F H 0.6303 0.2751 0.4378 0.042 Uiso 0.223(6) calc PR F 2
N5 N 0.8586(3) 0.6018(3) 0.4302(2) 0.0573(13) Uiso 1 d . . .
C51 C 0.8233(7) 0.5187(7) 0.4197(6) 0.047(3) Uiso 0.473(9) d P G 1
H51A H 0.7882 0.5132 0.3830 0.056 Uiso 0.47 calc P G 1
H51B H 0.8644 0.4907 0.4160 0.056 Uiso 0.47 calc P G 1
C52 C 0.7814(9) 0.4856(8) 0.4647(6) 0.050(3) Uiso 0.473(9) d P G 1
H52A H 0.7628 0.4355 0.4536 0.075 Uiso 0.47 calc P G 1
H52B H 0.7392 0.5113 0.4680 0.075 Uiso 0.47 calc P G 1
H52C H 0.8157 0.4888 0.5011 0.075 Uiso 0.47 calc P G 1
C53 C 0.9182(8) 0.6001(8) 0.4911(6) 0.055(4) Uiso 0.473(9) d P G 1
H53A H 0.9454 0.6486 0.5008 0.066 Uiso 0.47 calc P G 1
H53B H 0.8887 0.5880 0.5211 0.066 Uiso 0.47 calc P G 1
C54 C 0.9785(12) 0.5461(11) 0.4925(9) 0.094(6) Uiso 0.473(9) d P G 1
H54A H 1.0101 0.5493 0.5301 0.141 Uiso 0.47 calc P G 1
H54B H 1.0097 0.5584 0.4642 0.141 Uiso 0.47 calc P G 1
H54C H 0.9527 0.4974 0.4842 0.141 Uiso 0.47 calc P G 1
C55 C 0.8067(9) 0.6459(9) 0.4406(7) 0.063(4) Uiso 0.473(9) d P G 1
H55A H 0.8333 0.6942 0.4525 0.076 Uiso 0.47 calc P G 1
H55B H 0.7831 0.6277 0.4723 0.076 Uiso 0.47 calc P G 1
C56 C 0.7444(9) 0.6511(9) 0.3888(8) 0.061(4) Uiso 0.473(9) d P G 1
H56A H 0.7098 0.6826 0.3987 0.091 Uiso 0.47 calc P G 1
H56B H 0.7171 0.6036 0.3773 0.091 Uiso 0.47 calc P G 1
H56C H 0.7671 0.6703 0.3575 0.091 Uiso 0.47 calc P G 1
C57 C 0.9062(10) 0.6149(10) 0.3858(8) 0.070(4) Uiso 0.473(9) d P G 1
H57A H 0.8735 0.6084 0.3481 0.084 Uiso 0.47 calc P G 1
H57B H 0.9411 0.5789 0.3879 0.084 Uiso 0.47 calc P G 1
C58 C 0.9526(14) 0.6911(13) 0.3918(10) 0.111(8) Uiso 0.473(9) d P G 1
H58A H 0.9822 0.6962 0.3617 0.167 Uiso 0.47 calc P G 1
H58B H 0.9862 0.6975 0.4286 0.167 Uiso 0.47 calc P G 1
H58C H 0.9184 0.7271 0.3889 0.167 Uiso 0.47 calc P G 1
C51A C 0.8001(10) 0.5598(9) 0.4545(7) 0.082(5) Uiso 0.527(9) d P G 2
H51C H 0.7531 0.5520 0.4263 0.099 Uiso 0.53 calc P G 2
H51D H 0.7907 0.5866 0.4878 0.099 Uiso 0.53 calc P G 2
C52A C 0.8236(15) 0.4875(13) 0.4722(10) 0.115(7) Uiso 0.527(9) d P G 2
H52D H 0.7838 0.4606 0.4884 0.173 Uiso 0.53 calc P G 2
H52E H 0.8698 0.4953 0.5004 0.173 Uiso 0.53 calc P G 2
H52F H 0.8320 0.4607 0.4391 0.173 Uiso 0.53 calc P G 2
C53A C 0.9253(9) 0.6405(10) 0.4701(7) 0.078(4) Uiso 0.527(9) d P G 2
H53C H 0.9582 0.6047 0.4837 0.094 Uiso 0.53 calc P G 2
H53D H 0.9533 0.6733 0.4476 0.094 Uiso 0.53 calc P G 2
C54A C 0.9151(8) 0.6820(8) 0.5201(6) 0.066(4) Uiso 0.527(9) d P G 2
H54D H 0.9641 0.7030 0.5413 0.098 Uiso 0.53 calc P G 2
H54E H 0.8892 0.6507 0.5442 0.098 Uiso 0.53 calc P G 2
H54F H 0.8852 0.7200 0.5080 0.098 Uiso 0.53 calc P G 2
C55A C 0.8154(9) 0.6719(8) 0.4053(7) 0.069(4) Uiso 0.527(9) d P G 2
H55C H 0.8008 0.6968 0.4374 0.083 Uiso 0.53 calc P G 2
H55D H 0.8524 0.7057 0.3906 0.083 Uiso 0.53 calc P G 2
C56A C 0.7467(9) 0.6549(9) 0.3592(8) 0.069(4) Uiso 0.527(9) d P G 2
H56D H 0.7268 0.6990 0.3482 0.104 Uiso 0.53 calc P G 2
H56E H 0.7085 0.6229 0.3734 0.104 Uiso 0.53 calc P G 2
H56F H 0.7604 0.6317 0.3264 0.104 Uiso 0.53 calc P G 2
C57A C 0.8796(11) 0.5680(11) 0.3763(8) 0.092(5) Uiso 0.527(9) d P G 2
H57C H 0.9099 0.5297 0.3888 0.111 Uiso 0.53 calc P G 2
H57D H 0.8325 0.5445 0.3527 0.111 Uiso 0.53 calc P G 2
C58A C 0.9199(12) 0.6114(12) 0.3393(10) 0.109(7) Uiso 0.527(9) d P G 2
H58D H 0.9269 0.5815 0.3073 0.164 Uiso 0.53 calc P G 2
H58E H 0.9689 0.6325 0.3605 0.164 Uiso 0.53 calc P G 2
H58F H 0.8910 0.6493 0.3253 0.164 Uiso 0.53 calc P G 2
N6 N 0.4430(3) 0.7099(3) 0.2489(2) 0.0501(12) Uiso 1 d . . .
C61 C 0.5210(7) 0.7483(6) 0.2670(5) 0.058(3) Uiso 0.563(8) d P H 1
H61A H 0.5486 0.7436 0.2356 0.070 Uiso 0.563(8) calc PR H 1
H61B H 0.5464 0.7239 0.2992 0.070 Uiso 0.563(8) calc PR H 1
C62 C 0.5275(8) 0.8278(7) 0.2846(6) 0.064(3) Uiso 0.563(8) d P H 1
H62A H 0.5805 0.8473 0.2958 0.096 Uiso 0.563(8) calc PR H 1
H62B H 0.5017 0.8334 0.3164 0.096 Uiso 0.563(8) calc PR H 1
H62C H 0.5046 0.8532 0.2526 0.096 Uiso 0.563(8) calc PR H 1
C63 C 0.4019(8) 0.7434(7) 0.1946(6) 0.066(4) Uiso 0.563(8) d P H 1
H63A H 0.3490 0.7211 0.1866 0.079 Uiso 0.563(8) calc PR H 1
H63B H 0.4022 0.7947 0.2035 0.079 Uiso 0.563(8) calc PR H 1
C65 C 0.3921(8) 0.7143(8) 0.2924(6) 0.076(4) Uiso 0.563(8) d P H 1
H65A H 0.3427 0.6867 0.2770 0.091 Uiso 0.563(8) calc PR H 1
H65B H 0.3845 0.7646 0.2978 0.091 Uiso 0.563(8) calc PR H 1
C66 C 0.4220(13) 0.6865(12) 0.3505(9) 0.120(7) Uiso 0.563(8) d P H 1
H66A H 0.3862 0.6911 0.3757 0.181 Uiso 0.563(8) calc PR H 1
H66B H 0.4702 0.7145 0.3668 0.181 Uiso 0.563(8) calc PR H 1
H66C H 0.4287 0.6364 0.3459 0.181 Uiso 0.563(8) calc PR H 1
C67 C 0.4494(7) 0.6309(6) 0.2331(5) 0.058(3) Uiso 0.563(8) d P H 1
H67A H 0.4810 0.6302 0.2038 0.069 Uiso 0.563(8) calc PR H 1
H67B H 0.4755 0.6099 0.2669 0.069 Uiso 0.563(8) calc PR H 1
C61A C 0.4254(10) 0.7837(9) 0.2708(8) 0.066(4) Uiso 0.437(8) d P H 2
H61C H 0.3911 0.8027 0.2401 0.079 Uiso 0.437(8) calc PR H 2
H61D H 0.3982 0.7753 0.3026 0.079 Uiso 0.437(8) calc PR H 2
C62A C 0.4936(12) 0.8417(12) 0.2909(9) 0.080(6) Uiso 0.437(8) d P H 2
H62D H 0.4762 0.8851 0.3037 0.120 Uiso 0.437(8) calc PR H 2
H62E H 0.5201 0.8522 0.2595 0.120 Uiso 0.437(8) calc PR H 2
H62F H 0.5275 0.8245 0.3221 0.120 Uiso 0.437(8) calc PR H 2
C63A C 0.4833(14) 0.7159(14) 0.1979(10) 0.105(8) Uiso 0.437(8) d P H 2
H63C H 0.5006 0.6699 0.1904 0.126 Uiso 0.437(8) calc PR H 2
H63D H 0.5280 0.7524 0.2074 0.126 Uiso 0.437(8) calc PR H 2
C65A C 0.5012(11) 0.6820(11) 0.2996(8) 0.080(6) Uiso 0.437(8) d P H 2
H65C H 0.5134 0.6356 0.2867 0.096 Uiso 0.437(8) calc PR H 2
H65D H 0.5480 0.7158 0.3058 0.096 Uiso 0.437(8) calc PR H 2
C66A C 0.4781(14) 0.6734(13) 0.3520(10) 0.096(7) Uiso 0.437(8) d P H 2
H66D H 0.5189 0.6588 0.3794 0.144 Uiso 0.437(8) calc PR H 2
H66E H 0.4343 0.6368 0.3476 0.144 Uiso 0.437(8) calc PR H 2
H66F H 0.4651 0.7185 0.3655 0.144 Uiso 0.437(8) calc PR H 2
C67A C 0.3697(8) 0.6603(8) 0.2382(7) 0.053(4) Uiso 0.437(8) d P H 2
H67C H 0.3321 0.6828 0.2125 0.063 Uiso 0.437(8) calc PR H 2
H67D H 0.3517 0.6543 0.2744 0.063 Uiso 0.437(8) calc PR H 2
C64 C 0.4328(7) 0.7363(7) 0.1435(5) 0.130(4) Uiso 1 d . . .
H64A H 0.4032 0.7589 0.1128 0.156 Uiso 0.563(8) calc PR H 1
H64B H 0.4312 0.6857 0.1330 0.156 Uiso 0.563(8) calc PR H 1
H64C H 0.4848 0.7595 0.1501 0.156 Uiso 0.563(8) calc PR H 1
H64D H 0.4618 0.7393 0.1144 0.156 Uiso 0.437(8) d PR H 2
H64E H 0.4162 0.7816 0.1520 0.156 Uiso 0.437(8) d PR H 2
H64F H 0.3901 0.6989 0.1351 0.156 Uiso 0.437(8) d PR H 2
C68 C 0.3752(4) 0.5839(4) 0.2115(3) 0.0641(18) Uiso 1 d . . .
H68A H 0.3847 0.5355 0.2028 0.077 Uiso 0.563(8) calc PR H 1
H68B H 0.3494 0.6031 0.1773 0.077 Uiso 0.563(8) calc PR H 1
H68C H 0.3438 0.5828 0.2406 0.077 Uiso 0.563(8) calc PR H 1
H68E H 0.3265 0.5557 0.2062 0.077 Uiso 0.437(8) d PR H 2
H68F H 0.4117 0.5614 0.2377 0.077 Uiso 0.437(8) d PR H 2
H68R H 0.3924 0.5895 0.1756 0.077 Uiso 0.437(8) d PR H 2
N100 N 0.5586(5) 0.2151(5) 0.0200(4) 0.107(3) Uiso 1 d . I 2
C111 C 0.5239(4) 0.2195(4) 0.0559(3) 0.0618(17) Uiso 1 d . I 2
C120 C 0.4814(4) 0.2223(3) 0.1004(3) 0.0516(14) Uiso 1 d . I 2
H12G H 0.4509 0.1762 0.1014 0.077 Uiso 1 calc R I 2
H12H H 0.4488 0.2594 0.0935 0.077 Uiso 1 calc R I 2
H12I H 0.5157 0.2333 0.1366 0.077 Uiso 1 calc R I 2
N200 N 0.1564(7) 0.2167(6) 0.6981(5) 0.085(3) Uiso 0.648(8) d P J 1
C210 C 0.1988(7) 0.1759(7) 0.6993(5) 0.065(3) Uiso 0.648(8) d P J 1
N20A N 0.3344(14) 0.1664(13) 0.7887(11) 0.102(8) Uiso 0.352(8) d P J 2
C20A C 0.2946(12) 0.1511(11) 0.7463(9) 0.061(5) Uiso 0.352(8) d P J 2
C220 C 0.2447(6) 0.1273(5) 0.6981(4) 0.095(3) Uiso 1 d . . .
H22J H 0.2193 0.0866 0.6729 0.142 Uiso 0.648(8) calc PR J 1
H22K H 0.2593 0.1112 0.7363 0.142 Uiso 0.648(8) calc PR J 1
H22L H 0.2895 0.1481 0.6843 0.142 Uiso 0.648(8) calc PR J 1
H22G H 0.2360 0.0750 0.6961 0.142 Uiso 0.352(8) d PR J 2
H22H H 0.2657 0.1437 0.6654 0.142 Uiso 0.352(8) d PR J 2
H22I H 0.1975 0.1459 0.6984 0.142 Uiso 0.352(8) d PR J 2
N300 N 0.3372(6) 0.2302(6) 0.8237(5) 0.079(3) Uiso 0.648(8) d P J 1
C310 C 0.3027(6) 0.2773(6) 0.8228(5) 0.057(3) Uiso 0.648(8) d P J 1
N30A N 0.1676(16) 0.3086(15) 0.7398(13) 0.123(9) Uiso 0.352(8) d P J 2
C30B C 0.2107(14) 0.3253(13) 0.7800(11) 0.074(6) Uiso 0.352(8) d P J 2
C320 C 0.2621(5) 0.3356(4) 0.8227(3) 0.071(2) Uiso 1 d . . .
H32G H 0.2227 0.3255 0.8452 0.107 Uiso 0.648(8) calc PR J 1
H32H H 0.2394 0.3436 0.7838 0.107 Uiso 0.648(8) calc PR J 1
H32I H 0.2960 0.3782 0.8390 0.107 Uiso 0.648(8) calc PR J 1
H32J H 0.2436 0.3112 0.8536 0.107 Uiso 0.352(8) d PR J 2
H32K H 0.2745 0.3868 0.8330 0.107 Uiso 0.352(8) d PR J 2
H32L H 0.3067 0.3167 0.8152 0.107 Uiso 0.352(8) d PR J 2
N400 N 0.8808(6) 0.3153(6) 0.4302(5) 0.134(3) Uiso 1 d . . .
C410 C 0.8777(5) 0.3326(5) 0.3844(4) 0.084(2) Uiso 1 d . . .
C420 C 0.8738(5) 0.3505(5) 0.3273(4) 0.082(2) Uiso 1 d . . .
H42G H 0.9154 0.3338 0.3125 0.123 Uiso 1 calc R . .
H42H H 0.8770 0.4023 0.3251 0.123 Uiso 1 calc R . .
H42I H 0.8262 0.3279 0.3049 0.123 Uiso 1 calc R . .
N500 N 0.2279(14) 0.7079(14) 0.1183(11) 0.152(10) Uiso 0.480(16) d P K 1
C510 C 0.2103(11) 0.6432(12) 0.1109(9) 0.078(6) Uiso 0.480(16) d P K 1
N50A N 0.2632(12) 0.6531(12) 0.0640(10) 0.142(9) Uiso 0.520(16) d P K 2
C50A C 0.2279(11) 0.6089(11) 0.0872(9) 0.084(5) Uiso 0.520(16) d P K 2
C520 C 0.1815(4) 0.5656(4) 0.1135(3) 0.070(2) Uiso 1 d . . .
H52J H 0.1697 0.5567 0.1510 0.105 Uiso 0.480(16) calc PR K 1
H52K H 0.2199 0.5367 0.1064 0.105 Uiso 0.480(16) calc PR K 1
H52L H 0.1363 0.5529 0.0848 0.105 Uiso 0.480(16) calc PR K 1
H52G H 0.1820 0.5860 0.1513 0.105 Uiso 0.520(16) d PR K 2
H52H H 0.1985 0.5185 0.1165 0.105 Uiso 0.520(16) d PR K 2
H52I H 0.1307 0.5606 0.0914 0.105 Uiso 0.520(16) d PR K 2
N600 N 0.1292(11) 0.8211(10) 0.4310(8) 0.095(7) Uiso 0.453(16) d P L 1
C610 C 0.1460(11) 0.7644(10) 0.4314(7) 0.059(4) Uiso 0.453(16) d P L 1
N60A N 0.0573(11) 0.7857(11) 0.4185(8) 0.127(7) Uiso 0.547(16) d P L 2
C60A C 0.1004(12) 0.7443(9) 0.4278(7) 0.075(5) Uiso 0.547(16) d P L 2
C620 C 0.1593(5) 0.6922(5) 0.4324(4) 0.081(2) Uiso 1 d . . .
H62G H 0.1542 0.6740 0.4694 0.122 Uiso 0.453(16) calc PR L 1
H62H H 0.2100 0.6890 0.4256 0.122 Uiso 0.453(16) calc PR L 1
H62I H 0.1228 0.6637 0.4030 0.122 Uiso 0.453(16) calc PR L 1
H62K H 0.1475 0.6582 0.3996 0.122 Uiso 0.547(16) d PR L 2
H62L H 0.1590 0.6663 0.4670 0.122 Uiso 0.547(16) d PR L 2
H62M H 0.2089 0.7192 0.4337 0.122 Uiso 0.547(16) d PR L 2
N700 N 0.3289(8) 0.7922(9) 0.4081(6) 0.190(6) Uiso 1 d . . .
C710 C 0.3380(8) 0.8518(9) 0.3991(6) 0.133(4) Uiso 1 d . . .
C720 C 0.3815(8) 0.9198(7) 0.3854(5) 0.074(4) Uiso 0.66(2) d P M 1
H72G H 0.3496 0.9577 0.3824 0.111 Uiso 0.66(2) calc PR M 1
H72H H 0.3983 0.9127 0.3494 0.111 Uiso 0.66(2) calc PR M 1
H72I H 0.4252 0.9333 0.4154 0.111 Uiso 0.66(2) calc PR M 1
C721 C 0.312(2) 0.9134(19) 0.3790(15) 0.117(14) Uiso 0.34(2) d P M 2
H72J H 0.3535 0.9527 0.3857 0.175 Uiso 0.34(2) calc PR M 2
H72K H 0.2724 0.9247 0.3987 0.175 Uiso 0.34(2) calc PR M 2
H72L H 0.2925 0.9063 0.3384 0.175 Uiso 0.34(2) calc PR M 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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
Sn Sn -0.6537 1.4246 '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
Sn3 Ag1 Ag3 175.396(19) . .
Sn3 Ag1 Sn1 122.694(16) . .
Ag3 Ag1 Sn1 60.828(12) . .
Sn3 Ag1 Ag2 114.362(16) . .
Ag3 Ag1 Ag2 62.024(13) . .
Sn1 Ag1 Ag2 122.852(16) . .
Sn3 Ag1 Sn6 115.254(17) . .
Ag3 Ag1 Sn6 65.588(13) . .
Sn1 Ag1 Sn6 99.645(15) . .
Ag2 Ag1 Sn6 55.655(12) . .
Sn3 Ag1 Sn2 112.518(15) . .
Ag3 Ag1 Sn2 63.273(13) . .
Sn1 Ag1 Sn2 97.344(15) . .
Ag2 Ag1 Sn2 55.607(12) . .
Sn6 Ag1 Sn2 106.937(14) . .
Sn3 Ag1 Ag4 59.228(12) . .
Ag3 Ag1 Ag4 116.197(16) . .
Sn1 Ag1 Ag4 150.748(18) . .
Ag2 Ag1 Ag4 62.646(12) . .
Sn6 Ag1 Ag4 104.963(15) . .
Sn2 Ag1 Ag4 60.578(12) . .
B501 Ag2 Sn6 113.87(14) . .
B501 Ag2 Sn2 120.89(14) . .
Sn6 Ag2 Sn2 125.026(15) . .
B501 Ag2 Ag1 157.63(13) . .
Sn6 Ag2 Ag1 65.018(13) . .
Sn2 Ag2 Ag1 66.346(13) . .
B501 Ag2 Ag3 145.61(13) . .
Sn6 Ag2 Ag3 67.172(13) . .
Sn2 Ag2 Ag3 65.435(13) . .
Ag1 Ag2 Ag3 56.322(11) . .
B501 Ag2 Sn5 49.56(13) . .
Sn6 Ag2 Sn5 117.130(16) . .
Sn2 Ag2 Sn5 101.976(14) . .
Ag1 Ag2 Sn5 109.598(15) . .
Ag3 Ag2 Sn5 163.422(16) . .
B501 Ag2 Ag4 99.79(13) . .
Sn6 Ag2 Ag4 112.212(15) . .
Sn2 Ag2 Ag4 63.885(13) . .
Ag1 Ag2 Ag4 62.993(12) . .
Ag3 Ag2 Ag4 111.666(15) . .
Sn5 Ag2 Ag4 51.778(12) . .
B501 Ag2 H501 23.6(17) . .
Sn6 Ag2 H501 114.1(16) . .
Sn2 Ag2 H501 113.9(17) . .
Ag1 Ag2 H501 178.5(17) . .
Ag3 Ag2 H501 122.3(17) . .
Sn5 Ag2 H501 71.9(17) . .
Ag4 Ag2 H501 118.5(17) . .
Sn4 Ag3 Ag1 174.705(19) . .
Sn4 Ag3 Sn1 123.620(17) . .
Ag1 Ag3 Sn1 60.840(13) . .
Sn4 Ag3 Ag2 113.802(16) . .
Ag1 Ag3 Ag2 61.653(13) . .
Sn1 Ag3 Ag2 122.492(15) . .
Sn4 Ag3 Sn2 110.976(16) . .
Ag1 Ag3 Sn2 64.494(13) . .
Sn1 Ag3 Sn2 98.101(14) . .
Ag2 Ag3 Sn2 55.887(11) . .
Sn4 Ag3 Sn6 118.239(16) . .
Ag1 Ag3 Sn6 62.013(13) . .
Sn1 Ag3 Sn6 97.425(14) . .
Ag2 Ag3 Sn6 54.502(11) . .
Sn2 Ag3 Sn6 105.399(13) . .
Sn5 Ag4 B301 119.32(12) . .
Sn5 Ag4 Sn3 126.995(19) . .
B301 Ag4 Sn3 49.83(11) . .
Sn5 Ag4 Ag2 60.856(13) . .
B301 Ag4 Ag2 145.76(12) . .
Sn3 Ag4 Ag2 100.445(15) . .
Sn5 Ag4 Ag1 109.956(17) . .
B301 Ag4 Ag1 101.37(12) . .
Sn3 Ag4 Ag1 51.778(11) . .
Ag2 Ag4 Ag1 54.361(11) . .
Sn5 Ag4 Sn2 100.237(16) . .
B301 Ag4 Sn2 140.33(12) . .
Sn3 Ag4 Sn2 104.562(16) . .
Ag2 Ag4 Sn2 52.719(11) . .
Ag1 Ag4 Sn2 58.957(12) . .
Sn5 Ag4 H201 119.5(14) . .
B301 Ag4 H201 95.0(14) . .
Sn3 Ag4 H201 113.4(14) . .
Ag2 Ag4 H201 114.9(15) . .
Ag1 Ag4 H201 109.6(15) . .
Sn2 Ag4 H201 65.4(15) . .
Sn5 Ag4 H301 112.7(13) . .
B301 Ag4 H301 23.9(14) . .
Sn3 Ag4 H301 73.1(14) . .
Ag2 Ag4 H301 166.0(13) . .
Ag1 Ag4 H301 123.5(14) . .
Sn2 Ag4 H301 140.4(13) . .
H201 Ag4 H301 79(2) . .
B101 Sn1 B105 47.9(2) . .
B101 Sn1 B103 81.1(2) . .
B105 Sn1 B103 81.3(2) . .
B101 Sn1 B102 47.3(2) . .
B105 Sn1 B102 81.4(2) . .
B103 Sn1 B102 47.3(2) . .
B101 Sn1 B104 81.4(2) . .
B105 Sn1 B104 47.5(2) . .
B103 Sn1 B104 47.4(2) . .
B102 Sn1 B104 81.08(19) . .
B101 Sn1 Ag3 134.41(15) . .
B105 Sn1 Ag3 112.15(14) . .
B103 Sn1 Ag3 142.52(14) . .
B102 Sn1 Ag3 162.56(13) . .
B104 Sn1 Ag3 116.05(14) . .
B101 Sn1 Ag1 119.39(15) . .
B105 Sn1 Ag1 154.89(16) . .
B103 Sn1 Ag1 121.02(16) . .
B102 Sn1 Ag1 104.72(14) . .
B104 Sn1 Ag1 156.61(17) . .
Ag3 Sn1 Ag1 58.333(12) . .
B204 Sn2 B203 48.3(2) . .
B204 Sn2 B205 47.6(2) . .
B203 Sn2 B205 81.5(2) . .
B204 Sn2 B201 80.5(2) . .
B203 Sn2 B201 79.9(2) . .
B205 Sn2 B201 46.9(2) . .
B204 Sn2 B202 81.3(2) . .
B203 Sn2 B202 46.8(2) . .
B205 Sn2 B202 80.7(2) . .
B201 Sn2 B202 46.5(2) . .
B204 Sn2 Ag2 142.76(14) . .
B203 Sn2 Ag2 155.01(15) . .
B205 Sn2 Ag2 122.66(15) . .
B201 Sn2 Ag2 120.23(15) . .
B202 Sn2 Ag2 135.85(15) . .
B204 Sn2 Ag3 116.57(16) . .
B203 Sn2 Ag3 96.59(15) . .
B205 Sn2 Ag3 158.85(16) . .
B201 Sn2 Ag3 153.75(16) . .
B202 Sn2 Ag3 113.39(15) . .
Ag2 Sn2 Ag3 58.678(12) . .
B204 Sn2 Ag1 152.91(15) . .
B203 Sn2 Ag1 105.38(15) . .
B205 Sn2 Ag1 148.62(16) . .
B201 Sn2 Ag1 103.27(16) . .
B202 Sn2 Ag1 82.42(15) . .
Ag2 Sn2 Ag1 58.047(11) . .
Ag3 Sn2 Ag1 52.232(11) . .
B204 Sn2 Ag4 136.94(16) . .
B203 Sn2 Ag4 127.92(15) . .
B205 Sn2 Ag4 90.81(17) . .
B201 Sn2 Ag4 59.08(15) . .
B202 Sn2 Ag4 81.14(15) . .
Ag2 Sn2 Ag4 63.396(13) . .
Ag3 Sn2 Ag4 106.479(14) . .
Ag1 Sn2 Ag4 60.465(12) . .
B304 Sn3 B303 48.78(19) . .
B304 Sn3 B305 47.46(18) . .
B303 Sn3 B305 81.54(19) . .
B304 Sn3 B302 81.25(19) . .
B303 Sn3 B302 46.98(19) . .
B305 Sn3 B302 79.75(18) . .
B304 Sn3 B301 80.17(18) . .
B303 Sn3 B301 79.73(19) . .
B305 Sn3 B301 46.35(18) . .
B302 Sn3 B301 45.80(19) . .
B304 Sn3 Ag1 144.32(14) . .
B303 Sn3 Ag1 140.71(13) . .
B305 Sn3 Ag1 136.66(14) . .
B302 Sn3 Ag1 132.07(13) . .
B301 Sn3 Ag1 130.30(13) . .
B304 Sn3 Ag4 139.98(13) . .
B303 Sn3 Ag4 127.48(14) . .
B305 Sn3 Ag4 94.18(13) . .
B302 Sn3 Ag4 80.62(13) . .
B301 Sn3 Ag4 61.73(13) . .
Ag1 Sn3 Ag4 68.994(14) . .
B404 Sn4 B402 80.57(19) . .
B404 Sn4 B403 47.08(19) . .
B402 Sn4 B403 47.20(19) . .
B404 Sn4 B401 80.34(19) . .
B402 Sn4 B401 47.0(2) . .
B403 Sn4 B401 80.5(2) . .
B404 Sn4 B405 46.8(2) . .
B402 Sn4 B405 80.10(19) . .
B403 Sn4 B405 80.09(19) . .
B401 Sn4 B405 46.77(19) . .
B404 Sn4 Ag3 141.83(13) . .
B402 Sn4 Ag3 130.69(13) . .
B403 Sn4 Ag3 134.18(13) . .
B401 Sn4 Ag3 135.63(14) . .
B405 Sn4 Ag3 143.20(14) . .
B503 Sn5 B504 48.0(2) . .
B503 Sn5 B505 80.7(2) . .
B504 Sn5 B505 47.3(2) . .
B503 Sn5 B502 46.7(2) . .
B504 Sn5 B502 80.8(2) . .
B505 Sn5 B502 79.8(2) . .
B503 Sn5 B501 79.3(2) . .
B504 Sn5 B501 79.8(2) . .
B505 Sn5 B501 46.2(2) . .
B502 Sn5 B501 46.2(2) . .
B503 Sn5 Ag4 151.79(17) . .
B504 Sn5 Ag4 143.78(15) . .
B505 Sn5 Ag4 126.67(15) . .
B502 Sn5 Ag4 135.38(15) . .
B501 Sn5 Ag4 123.25(13) . .
B503 Sn5 Ag2 124.50(15) . .
B504 Sn5 Ag2 136.70(17) . .
B505 Sn5 Ag2 91.81(15) . .
B502 Sn5 Ag2 77.84(14) . .
B501 Sn5 Ag2 58.31(13) . .
Ag4 Sn5 Ag2 67.366(14) . .
B605 Sn6 B601 48.0(3) . .
B605 Sn6 B602 81.6(2) . .
B601 Sn6 B602 47.5(2) . .
B605 Sn6 B604 47.3(3) . .
B601 Sn6 B604 81.4(3) . .
B602 Sn6 B604 81.2(2) . .
B605 Sn6 B603 80.8(2) . .
B601 Sn6 B603 81.2(2) . .
B602 Sn6 B603 47.61(18) . .
B604 Sn6 B603 46.9(2) . .
B605 Sn6 Ag2 127.13(17) . .
B601 Sn6 Ag2 126.92(16) . .
B602 Sn6 Ag2 138.97(14) . .
B604 Sn6 Ag2 139.41(17) . .
B603 Sn6 Ag2 148.59(14) . .
B605 Sn6 Ag1 113.8(2) . .
B601 Sn6 Ag1 161.69(18) . .
B602 Sn6 Ag1 142.13(14) . .
B604 Sn6 Ag1 85.3(2) . .
B603 Sn6 Ag1 98.77(13) . .
Ag2 Sn6 Ag1 59.327(12) . .
B605 Sn6 Ag3 162.7(2) . .
B601 Sn6 Ag3 145.71(18) . .
B602 Sn6 Ag3 103.82(14) . .
B604 Sn6 Ag3 116.7(2) . .
B603 Sn6 Ag3 90.75(14) . .
Ag2 Sn6 Ag3 58.326(12) . .
Ag1 Sn6 Ag3 52.399(11) . .
B110 B101 B106 60.3(3) . .
B110 B101 B102 106.1(4) . .
B106 B101 B102 58.0(3) . .
B110 B101 B105 58.1(3) . .
B106 B101 B105 106.9(4) . .
B102 B101 B105 108.1(4) . .
B110 B101 Sn1 117.9(4) . .
B106 B101 Sn1 118.6(4) . .
B102 B101 Sn1 66.8(2) . .
B105 B101 Sn1 66.1(3) . .
B110 B101 H101 119(3) . .
B106 B101 H101 119(3) . .
B102 B101 H101 124(3) . .
B105 B101 H101 123(3) . .
Sn1 B101 H101 113(3) . .
B107 B102 B106 60.7(3) . .
B107 B102 B101 106.8(4) . .
B106 B102 B101 58.2(3) . .
B107 B102 B103 58.5(3) . .
B106 B102 B103 107.2(4) . .
B101 B102 B103 108.0(4) . .
B107 B102 Sn1 118.3(3) . .
B106 B102 Sn1 118.0(3) . .
B101 B102 Sn1 65.9(2) . .
B103 B102 Sn1 66.2(2) . .
B107 B102 H102 120(3) . .
B106 B102 H102 117(3) . .
B101 B102 H102 121(3) . .
B103 B102 H102 125(3) . .
Sn1 B102 H102 113(3) . .
B108 B103 B107 60.1(3) . .
B108 B103 B102 106.1(4) . .
B107 B103 B102 57.7(3) . .
B108 B103 B104 58.2(3) . .
B107 B103 B104 106.6(4) . .
B102 B103 B104 108.3(4) . .
B108 B103 Sn1 118.1(4) . .
B107 B103 Sn1 117.9(3) . .
B102 B103 Sn1 66.5(2) . .
B104 B103 Sn1 66.5(3) . .
B108 B103 H103 121(3) . .
B107 B103 H103 120(3) . .
B102 B103 H103 122(3) . .
B104 B103 H103 124(3) . .
Sn1 B103 H103 111(3) . .
B109 B104 B108 60.4(3) . .
B109 B104 B105 57.6(4) . .
B108 B104 B105 106.4(4) . .
B109 B104 B103 106.3(4) . .
B108 B104 B103 58.1(3) . .
B105 B104 B103 107.9(4) . .
B109 B104 Sn1 117.0(4) . .
B108 B104 Sn1 117.7(3) . .
B105 B104 Sn1 65.9(3) . .
B103 B104 Sn1 66.1(2) . .
B109 B104 H104 117(3) . .
B108 B104 H104 120(3) . .
B105 B104 H104 120(3) . .
B103 B104 H104 127(3) . .
Sn1 B104 H104 114(3) . .
B109 B105 B110 60.1(4) . .
B109 B105 B104 58.2(4) . .
B110 B105 B104 106.2(4) . .
B109 B105 B101 105.8(4) . .
B110 B105 B101 57.3(3) . .
B104 B105 B101 107.7(4) . .
B109 B105 Sn1 118.1(4) . .
B110 B105 Sn1 117.0(4) . .
B104 B105 Sn1 66.6(3) . .
B101 B105 Sn1 65.9(3) . .
B109 B105 H105 124(3) . .
B110 B105 H105 117(3) . .
B104 B105 H105 130(3) . .
B101 B105 H105 117(3) . .
Sn1 B105 H105 111(3) . .
B102 B106 B101 63.7(3) . .
B102 B106 B110 110.1(4) . .
B101 B106 B110 59.6(3) . .
B102 B106 B107 59.6(3) . .
B101 B106 B107 110.3(4) . .
B110 B106 B107 107.5(4) . .
B102 B106 B111 108.9(4) . .
B101 B106 B111 109.2(4) . .
B110 B106 B111 60.0(3) . .
B107 B106 B111 59.7(3) . .
B102 B106 H106 121(3) . .
B101 B106 H106 125(3) . .
B110 B106 H106 123(3) . .
B107 B106 H106 118(3) . .
B111 B106 H106 117(3) . .
B102 B107 B111 109.5(4) . .
B102 B107 B103 63.8(3) . .
B111 B107 B103 109.4(4) . .
B102 B107 B108 110.7(4) . .
B111 B107 B108 59.9(3) . .
B103 B107 B108 59.8(3) . .
B102 B107 B106 59.8(3) . .
B111 B107 B106 60.3(3) . .
B103 B107 B106 110.6(4) . .
B108 B107 B106 108.2(4) . .
B102 B107 H107 119(3) . .
B111 B107 H107 121(3) . .
B103 B107 H107 120(3) . .
B108 B107 H107 122(3) . .
B106 B107 H107 121(3) . .
B103 B108 B111 109.5(4) . .
B103 B108 B104 63.7(3) . .
B111 B108 B104 109.8(4) . .
B103 B108 B107 60.0(3) . .
B111 B108 B107 59.9(3) . .
B104 B108 B107 110.9(4) . .
B103 B108 B109 110.0(4) . .
B111 B108 B109 60.1(3) . .
B104 B108 B109 59.6(4) . .
B107 B108 B109 107.7(4) . .
B103 B108 H108 117(3) . .
B111 B108 H108 122(3) . .
B104 B108 H108 121(3) . .
B107 B108 H108 119(3) . .
B109 B108 H108 125(3) . .
B105 B109 B110 60.5(4) . .
B105 B109 B104 64.2(4) . .
B110 B109 B104 111.2(4) . .
B105 B109 B111 110.6(4) . .
B110 B109 B111 60.2(4) . .
B104 B109 B111 109.8(4) . .
B105 B109 B108 111.3(4) . .
B110 B109 B108 107.9(4) . .
B104 B109 B108 60.0(4) . .
B111 B109 B108 59.7(3) . .
B105 B109 H109 117(3) . .
B110 B109 H109 118(3) . .
B104 B109 H109 122(3) . .
B111 B109 H109 120(3) . .
B108 B109 H109 125(3) . .
B101 B110 B109 110.9(4) . .
B101 B110 B106 60.1(4) . .
B109 B110 B106 108.8(4) . .
B101 B110 B105 64.5(3) . .
B109 B110 B105 59.5(4) . .
B106 B110 B105 111.8(4) . .
B101 B110 B111 110.0(4) . .
B109 B110 B111 60.3(4) . .
B106 B110 B111 60.4(3) . .
B105 B110 B111 109.8(5) . .
B101 B110 H110 118(3) . .
B109 B110 H110 121(3) . .
B106 B110 H110 122(3) . .
B105 B110 H110 117(3) . .
B111 B110 H110 123(3) . .
B108 B111 B107 60.2(3) . .
B108 B111 B110 107.7(4) . .
B107 B111 B110 107.5(4) . .
B108 B111 B109 60.2(4) . .
B107 B111 B109 107.9(4) . .
B110 B111 B109 59.5(4) . .
B108 B111 B106 108.2(4) . .
B107 B111 B106 60.0(3) . .
B110 B111 B106 59.6(4) . .
B109 B111 B106 107.5(4) . .
B108 B111 H111 123(3) . .
B107 B111 H111 124(3) . .
B110 B111 H111 120(3) . .
B109 B111 H111 121(3) . .
B106 B111 H111 121(3) . .
B210 B201 B206 60.7(4) . .
B210 B201 B202 107.2(4) . .
B206 B201 B202 58.4(3) . .
B210 B201 B205 57.9(3) . .
B206 B201 B205 107.3(4) . .
B202 B201 B205 109.3(4) . .
B210 B201 Sn2 117.3(4) . .
B206 B201 Sn2 118.6(4) . .
B202 B201 Sn2 67.0(3) . .
B205 B201 Sn2 65.9(3) . .
B210 B201 H201 118(3) . .
B206 B201 H201 118(3) . .
B202 B201 H201 124(3) . .
B205 B201 H201 123(3) . .
Sn2 B201 H201 114(3) . .
B207 B202 B206 59.8(4) . .
B207 B202 B203 58.3(3) . .
B206 B202 B203 106.2(4) . .
B207 B202 B201 106.0(4) . .
B206 B202 B201 58.2(3) . .
B203 B202 B201 107.4(4) . .
B207 B202 Sn2 117.1(3) . .
B206 B202 Sn2 117.9(3) . .
B203 B202 Sn2 65.2(2) . .
B201 B202 Sn2 66.5(3) . .
B207 B202 H202 120(3) . .
B206 B202 H202 123(3) . .
B203 B202 H202 120(3) . .
B201 B202 H202 126(3) . .
Sn2 B202 H202 110(2) . .
B208 B203 B207 60.4(3) . .
B208 B203 B202 106.7(4) . .
B207 B203 B202 58.3(3) . .
B208 B203 B204 57.6(3) . .
B207 B203 B204 106.4(4) . .
B202 B203 B204 108.4(4) . .
B208 B203 Sn2 117.5(4) . .
B207 B203 Sn2 119.6(4) . .
B202 B203 Sn2 68.0(3) . .
B204 B203 Sn2 65.6(2) . .
B208 B203 H203 118(3) . .
B207 B203 H203 120(3) . .
B202 B203 H203 125(3) . .
B204 B203 H203 121(3) . .
Sn2 B203 H203 112(3) . .
B208 B204 B209 61.2(4) . .
B208 B204 B205 106.5(4) . .
B209 B204 B205 57.9(4) . .
B208 B204 B203 57.6(3) . .
B209 B204 B203 106.9(4) . .
B205 B204 B203 107.5(4) . .
B208 B204 Sn2 118.0(3) . .
B209 B204 Sn2 119.0(4) . .
B205 B204 Sn2 66.9(3) . .
B203 B204 Sn2 66.1(2) . .
B208 B204 H204 122(3) . .
B209 B204 H204 117(3) . .
B205 B204 H204 120(3) . .
B203 B204 H204 127(3) . .
Sn2 B204 H204 112(3) . .
B210 B205 B209 60.0(4) . .
B210 B205 B201 58.1(3) . .
B209 B205 B201 106.4(4) . .
B210 B205 B204 105.9(4) . .
B209 B205 B204 58.1(3) . .
B201 B205 B204 107.4(4) . .
B210 B205 Sn2 118.7(4) . .
B209 B205 Sn2 117.9(4) . .
B201 B205 Sn2 67.2(3) . .
B204 B205 Sn2 65.5(2) . .
B210 B205 H205 124(3) . .
B209 B205 H205 119(3) . .
B201 B205 H205 127(3) . .
B204 B205 H205 119(3) . .
Sn2 B205 H205 110(3) . .
B207 B206 B201 110.2(4) . .
B207 B206 B202 59.9(4) . .
B201 B206 B202 63.4(3) . .
B207 B206 B211 59.9(4) . .
B201 B206 B211 108.8(4) . .
B202 B206 B211 109.2(4) . .
B207 B206 B210 107.8(4) . .
B201 B206 B210 59.4(3) . .
B202 B206 B210 110.2(4) . .
B211 B206 B210 59.9(4) . .
B207 B206 H206 127(3) . .
B201 B206 H206 113(3) . .
B202 B206 H206 116(3) . .
B211 B206 H206 128(3) . .
B210 B206 H206 121(3) . .
B206 B207 B203 110.6(4) . .
B206 B207 B202 60.3(3) . .
B203 B207 B202 63.4(3) . .
B206 B207 B211 60.4(4) . .
B203 B207 B211 109.0(4) . .
B202 B207 B211 109.8(4) . .
B206 B207 B208 107.8(4) . .
B203 B207 B208 59.7(3) . .
B202 B207 B208 110.3(4) . .
B211 B207 B208 59.4(4) . .
B206 B207 H207 123(3) . .
B203 B207 H207 118(3) . .
B202 B207 H207 119(3) . .
B211 B207 H207 123(3) . .
B208 B207 H207 121(3) . .
B211 B208 B204 109.8(4) . .
B211 B208 B203 109.7(4) . .
B204 B208 B203 64.8(3) . .
B211 B208 B207 60.1(4) . .
B204 B208 B207 111.7(4) . .
B203 B208 B207 59.9(3) . .
B211 B208 B209 60.4(4) . .
B204 B208 B209 59.6(3) . .
B203 B208 B209 111.2(4) . .
B207 B208 B209 108.6(4) . .
B211 B208 H208 121(3) . .
B204 B208 H208 120(3) . .
B203 B208 H208 119(3) . .
B207 B208 H208 120(3) . .
B209 B208 H208 122(3) . .
B210 B209 B205 59.7(4) . .
B210 B209 B204 110.2(4) . .
B205 B209 B204 64.0(3) . .
B210 B209 B211 60.1(4) . .
B205 B209 B211 109.2(4) . .
B204 B209 B211 108.2(4) . .
B210 B209 B208 106.6(4) . .
B205 B209 B208 109.8(4) . .
B204 B209 B208 59.3(3) . .
B211 B209 B208 58.7(4) . .
B210 B209 H209 122(3) . .
B205 B209 H209 117(3) . .
B204 B209 H209 118(3) . .
B211 B209 H209 125(3) . .
B208 B209 H209 124(3) . .
B205 B210 B201 64.0(3) . .
B205 B210 B209 60.2(4) . .
B201 B210 B209 111.3(4) . .
B205 B210 B211 110.0(5) . .
B201 B210 B211 109.0(4) . .
B209 B210 B211 60.7(4) . .
B205 B210 B206 111.5(4) . .
B201 B210 B206 59.9(3) . .
B209 B210 B206 109.2(5) . .
B211 B210 B206 59.8(4) . .
B205 B210 H210 119(3) . .
B201 B210 H210 118(3) . .
B209 B210 H210 122(3) . .
B211 B210 H210 122(3) . .
B206 B210 H210 120(3) . .
B208 B211 B207 60.5(4) . .
B208 B211 B206 108.2(4) . .
B207 B211 B206 59.8(4) . .
B208 B211 B210 107.7(4) . .
B207 B211 B210 108.0(4) . .
B206 B211 B210 60.2(4) . .
B208 B211 B209 60.9(4) . .
B207 B211 B209 109.4(4) . .
B206 B211 B209 108.3(4) . .
B210 B211 B209 59.2(4) . .
B208 B211 H211 121(3) . .
B207 B211 H211 123(3) . .
B206 B211 H211 123(3) . .
B210 B211 H211 122(3) . .
B209 B211 H211 119(3) . .
B306 B301 B310 60.7(3) . .
B306 B301 B302 58.2(3) . .
B310 B301 B302 107.4(4) . .
B306 B301 B305 106.8(4) . .
B310 B301 B305 57.7(3) . .
B302 B301 B305 109.4(4) . .
B306 B301 Sn3 118.0(3) . .
B310 B301 Sn3 117.5(3) . .
B302 B301 Sn3 66.8(2) . .
B305 B301 Sn3 66.2(2) . .
B306 B301 Ag4 138.0(3) . .
B310 B301 Ag4 157.8(3) . .
B302 B301 Ag4 94.7(3) . .
B305 B301 Ag4 112.7(3) . .
Sn3 B301 Ag4 68.44(14) . .
B306 B301 H301 115(3) . .
B310 B301 H301 113(3) . .
B302 B301 H301 126(3) . .
B305 B301 H301 122(3) . .
Sn3 B301 H301 119(3) . .
Ag4 B301 H301 52(3) . .
B306 B302 B307 60.2(3) . .
B306 B302 B301 58.6(3) . .
B307 B302 B301 106.8(4) . .
B306 B302 B303 106.2(4) . .
B307 B302 B303 57.6(3) . .
B301 B302 B303 108.3(4) . .
B306 B302 Sn3 118.9(3) . .
B307 B302 Sn3 116.8(3) . .
B301 B302 Sn3 67.4(2) . .
B303 B302 Sn3 65.2(2) . .
B306 B302 H302 122(3) . .
B307 B302 H302 122(3) . .
B301 B302 H302 122(3) . .
B303 B302 H302 122(3) . .
Sn3 B302 H302 110(3) . .
B307 B303 B308 60.9(3) . .
B307 B303 B302 58.7(3) . .
B308 B303 B302 106.9(4) . .
B307 B303 B304 106.1(4) . .
B308 B303 B304 57.0(3) . .
B302 B303 B304 107.4(3) . .
B307 B303 Sn3 120.1(3) . .
B308 B303 Sn3 117.3(3) . .
B302 B303 Sn3 67.8(2) . .
B304 B303 Sn3 65.5(2) . .
B307 B303 H303 119(3) . .
B308 B303 H303 119(3) . .
B302 B303 H303 124(3) . .
B304 B303 H303 123(3) . .
Sn3 B303 H303 112(3) . .
B308 B304 B309 60.8(3) . .
B308 B304 B305 106.8(4) . .
B309 B304 B305 58.1(3) . .
B308 B304 B303 57.6(3) . .
B309 B304 B303 105.9(4) . .
B305 B304 B303 107.2(3) . .
B308 B304 Sn3 118.2(3) . .
B309 B304 Sn3 119.3(3) . .
B305 B304 Sn3 67.5(2) . .
B303 B304 Sn3 65.8(2) . .
B308 B304 H304 119(3) . .
B309 B304 H304 120(3) . .
B305 B304 H304 124(3) . .
B303 B304 H304 123(3) . .
Sn3 B304 H304 112(3) . .
B310 B305 B309 59.6(3) . .
B310 B305 B301 58.8(3) . .
B309 B305 B301 106.0(4) . .
B310 B305 B304 106.2(4) . .
B309 B305 B304 58.0(3) . .
B301 B305 B304 107.6(4) . .
B310 B305 Sn3 119.4(3) . .
B309 B305 Sn3 117.1(3) . .
B301 B305 Sn3 67.4(2) . .
B304 B305 Sn3 65.1(2) . .
B310 B305 H305 120(3) . .
B309 B305 H305 123(3) . .
B301 B305 H305 121(3) . .
B304 B305 H305 125(3) . .
Sn3 B305 H305 110(3) . .
B302 B306 B301 63.2(3) . .
B302 B306 B311 109.8(4) . .
B301 B306 B311 109.0(4) . .
B302 B306 B307 60.5(3) . .
B301 B306 B307 110.7(4) . .
B311 B306 B307 60.2(3) . .
B302 B306 B310 110.9(4) . .
B301 B306 B310 60.1(3) . .
B311 B306 B310 59.7(3) . .
B307 B306 B310 108.5(4) . .
B302 B306 H306 121(3) . .
B301 B306 H306 120(3) . .
B311 B306 H306 120(3) . .
B307 B306 H306 122(3) . .
B310 B306 H306 120(3) . .
B303 B307 B306 110.5(4) . .
B303 B307 B311 109.2(4) . .
B306 B307 B311 59.8(3) . .
B303 B307 B302 63.7(3) . .
B306 B307 B302 59.3(3) . .
B311 B307 B302 108.5(4) . .
B303 B307 B308 60.1(3) . .
B306 B307 B308 107.7(4) . .
B311 B307 B308 59.6(3) . .
B302 B307 B308 110.3(4) . .
B303 B307 H307 120(3) . .
B306 B307 H307 123(3) . .
B311 B307 H307 119(3) . .
B302 B307 H307 123(3) . .
B308 B307 H307 119(3) . .
B304 B308 B311 108.7(4) . .
B304 B308 B303 65.4(3) . .
B311 B308 B303 108.4(4) . .
B304 B308 B309 59.9(3) . .
B311 B308 B309 58.9(3) . .
B303 B308 B309 111.3(4) . .
B304 B308 B307 111.2(4) . .
B311 B308 B307 59.8(3) . .
B303 B308 B307 59.0(3) . .
B309 B308 B307 107.4(4) . .
B304 B308 H308 122(3) . .
B311 B308 H308 120(3) . .
B303 B308 H308 120(3) . .
B309 B308 H308 123(3) . .
B307 B308 H308 119(3) . .
B311 B309 B310 60.6(3) . .
B311 B309 B304 109.1(4) . .
B310 B309 B304 111.0(4) . .
B311 B309 B305 109.4(4) . .
B310 B309 B305 59.7(3) . .
B304 B309 B305 63.9(3) . .
B311 B309 B308 60.1(3) . .
B310 B309 B308 108.8(4) . .
B304 B309 B308 59.3(3) . .
B305 B309 B308 110.3(4) . .
B311 B309 H309 124(3) . .
B310 B309 H309 123(3) . .
B304 B309 H309 117(3) . .
B305 B309 H309 118(3) . .
B308 B309 H309 121(3) . .
B309 B310 B305 60.7(3) . .
B309 B310 B311 59.6(3) . .
B305 B310 B311 109.4(4) . .
B309 B310 B301 110.6(4) . .
B305 B310 B301 63.5(3) . .
B311 B310 B301 108.2(4) . .
B309 B310 B306 107.7(4) . .
B305 B310 B306 110.3(4) . .
B311 B310 B306 59.6(3) . .
B301 B310 B306 59.2(3) . .
B309 B310 H310 123(3) . .
B305 B310 H310 120(3) . .
B311 B310 H310 122(3) . .
B301 B310 H310 119(3) . .
B306 B310 H310 120(3) . .
B309 B311 B306 108.8(4) . .
B309 B311 B310 59.8(3) . .
B306 B311 B310 60.8(3) . .
B309 B311 B308 61.0(3) . .
B306 B311 B308 108.5(4) . .
B310 B311 B308 108.8(4) . .
B309 B311 B307 109.6(4) . .
B306 B311 B307 59.9(3) . .
B310 B311 B307 109.1(4) . .
B308 B311 B307 60.6(3) . .
B309 B311 H311 124(3) . .
B306 B311 H311 120(3) . .
B310 B311 H311 124(3) . .
B308 B311 H311 120(3) . .
B307 B311 H311 117(3) . .
B410 B401 B406 60.6(3) . .
B410 B401 B405 57.8(3) . .
B406 B401 B405 106.7(4) . .
B410 B401 B402 105.9(4) . .
B406 B401 B402 57.6(3) . .
B405 B401 B402 107.8(4) . .
B410 B401 Sn4 118.1(3) . .
B406 B401 Sn4 118.0(3) . .
B405 B401 Sn4 66.8(3) . .
B402 B401 Sn4 66.3(2) . .
B410 B401 H401 120(2) . .
B406 B401 H401 120(2) . .
B405 B401 H401 123(2) . .
B402 B401 H401 124(2) . .
Sn4 B401 H401 112(2) . .
B406 B402 B407 60.5(3) . .
B406 B402 B401 58.6(3) . .
B407 B402 B401 106.8(4) . .
B406 B402 B403 106.7(4) . .
B407 B402 B403 57.9(3) . .
B401 B402 B403 108.0(4) . .
B406 B402 Sn4 119.2(3) . .
B407 B402 Sn4 118.5(3) . .
B401 B402 Sn4 66.7(2) . .
B403 B402 Sn4 66.6(2) . .
B406 B402 H402 123(3) . .
B407 B402 H402 119(3) . .
B401 B402 H402 126(3) . .
B403 B402 H402 119(3) . .
Sn4 B402 H402 110(3) . .
B408 B403 B407 60.5(3) . .
B408 B403 B404 58.9(3) . .
B407 B403 B404 107.0(4) . .
B408 B403 B402 107.0(4) . .
B407 B403 B402 58.4(3) . .
B404 B403 B402 107.6(4) . .
B408 B403 Sn4 119.1(3) . .
B407 B403 Sn4 118.6(3) . .
B404 B403 Sn4 66.2(2) . .
B402 B403 Sn4 66.2(2) . .
B408 B403 H403 123(2) . .
B407 B403 H403 121(2) . .
B404 B403 H403 125(2) . .
B402 B403 H403 120(2) . .
Sn4 B403 H403 108(2) . .
B409 B404 B408 60.5(3) . .
B409 B404 B405 58.0(3) . .
B408 B404 B405 106.7(4) . .
B409 B404 B403 106.1(4) . .
B408 B404 B403 57.4(3) . .
B405 B404 B403 108.2(4) . .
B409 B404 Sn4 118.7(3) . .
B408 B404 Sn4 118.3(3) . .
B405 B404 Sn4 67.0(2) . .
B403 B404 Sn4 66.7(2) . .
B409 B404 H404 119(2) . .
B408 B404 H404 118(3) . .
B405 B404 H404 125(3) . .
B403 B404 H404 122(2) . .
Sn4 B404 H404 113(2) . .
B409 B405 B410 60.4(3) . .
B409 B405 B404 58.1(3) . .
B410 B405 B404 106.6(4) . .
B409 B405 B401 107.0(4) . .
B410 B405 B401 58.4(3) . .
B404 B405 B401 108.3(4) . .
B409 B405 Sn4 118.1(3) . .
B410 B405 Sn4 118.4(3) . .
B404 B405 Sn4 66.2(2) . .
B401 B405 Sn4 66.5(2) . .
B409 B405 H405 121(3) . .
B410 B405 H405 119(3) . .
B404 B405 H405 125(3) . .
B401 B405 H405 121(3) . .
Sn4 B405 H405 111(3) . .
B402 B406 B401 63.8(3) . .
B402 B406 B407 60.4(3) . .
B401 B406 B407 110.8(4) . .
B402 B406 B411 109.2(4) . .
B401 B406 B411 108.7(4) . .
B407 B406 B411 59.5(3) . .
B402 B406 B410 110.0(4) . .
B401 B406 B410 59.5(3) . .
B407 B406 B410 106.9(4) . .
B411 B406 B410 59.2(3) . .
B402 B406 H406 117(3) . .
B401 B406 H406 121(3) . .
B407 B406 H406 119(3) . .
B411 B406 H406 123(3) . .
B410 B406 H406 125(3) . .
B403 B407 B411 109.1(4) . .
B403 B407 B408 59.4(3) . .
B411 B407 B408 60.5(3) . .
B403 B407 B402 63.7(3) . .
B411 B407 B402 108.9(4) . .
B408 B407 B402 110.4(4) . .
B403 B407 B406 110.3(4) . .
B411 B407 B406 60.4(3) . .
B408 B407 B406 108.8(4) . .
B402 B407 B406 59.2(3) . .
B403 B407 H407 117(3) . .
B411 B407 H407 124(3) . .
B408 B407 H407 121(3) . .
B402 B407 H407 118(3) . .
B406 B407 H407 123(3) . .
B403 B408 B407 60.1(3) . .
B403 B408 B404 63.7(3) . .
B407 B408 B404 110.5(4) . .
B403 B408 B409 109.9(4) . .
B407 B408 B409 107.5(4) . .
B404 B408 B409 59.1(3) . .
B403 B408 B411 109.0(4) . .
B407 B408 B411 59.6(3) . .
B404 B408 B411 108.6(4) . .
B409 B408 B411 59.8(3) . .
B403 B408 H408 122(3) . .
B407 B408 H408 125(3) . .
B404 B408 H408 117(3) . .
B409 B408 H408 118(3) . .
B411 B408 H408 122(3) . .
B405 B409 B404 63.9(3) . .
B405 B409 B410 59.9(3) . .
B404 B409 B410 110.8(4) . .
B405 B409 B411 109.5(4) . .
B404 B409 B411 109.9(4) . .
B410 B409 B411 59.8(3) . .
B405 B409 B408 111.3(4) . .
B404 B409 B408 60.4(3) . .
B410 B409 B408 108.1(4) . .
B411 B409 B408 60.1(3) . .
B405 B409 H409 120(3) . .
B404 B409 H409 121(3) . .
B410 B409 H409 121(3) . .
B411 B409 H409 120(3) . .
B408 B409 H409 121(3) . .
B405 B410 B409 59.8(3) . .
B405 B410 B411 110.0(4) . .
B409 B410 B411 60.5(3) . .
B405 B410 B401 63.7(3) . .
B409 B410 B401 110.7(4) . .
B411 B410 B401 109.9(4) . .
B405 B410 B406 110.8(4) . .
B409 B410 B406 108.6(4) . .
B411 B410 B406 60.4(3) . .
B401 B410 B406 59.9(3) . .
B405 B410 H410 120(3) . .
B409 B410 H410 120(3) . .
B411 B410 H410 120(3) . .
B401 B410 H410 121(3) . .
B406 B410 H410 122(3) . .
B410 B411 B407 108.3(4) . .
B410 B411 B409 59.7(3) . .
B407 B411 B409 107.9(4) . .
B410 B411 B408 108.0(4) . .
B407 B411 B408 59.9(3) . .
B409 B411 B408 60.0(3) . .
B410 B411 B406 60.4(3) . .
B407 B411 B406 60.1(3) . .
B409 B411 B406 108.0(4) . .
B408 B411 B406 108.0(4) . .
B410 B411 H411 119(3) . .
B407 B411 H411 124(3) . .
B409 B411 H411 121(3) . .
B408 B411 H411 124(3) . .
B406 B411 H411 121(3) . .
B506 B501 B510 61.4(4) . .
B506 B501 B505 107.7(4) . .
B510 B501 B505 58.7(4) . .
B506 B501 B502 57.8(4) . .
B510 B501 B502 108.0(4) . .
B505 B501 B502 109.3(4) . .
B506 B501 Sn5 118.3(4) . .
B510 B501 Sn5 119.0(4) . .
B505 B501 Sn5 66.4(3) . .
B502 B501 Sn5 66.8(3) . .
B506 B501 Ag2 134.7(4) . .
B510 B501 Ag2 156.3(4) . .
B505 B501 Ag2 116.0(3) . .
B502 B501 Ag2 95.6(3) . .
Sn5 B501 Ag2 72.13(14) . .
B506 B501 H501 119(3) . .
B510 B501 H501 113(3) . .
B505 B501 H501 119(3) . .
B502 B501 H501 127(3) . .
Sn5 B501 H501 115(3) . .
Ag2 B501 H501 46(3) . .
B506 B502 B507 60.0(4) . .
B506 B502 B503 106.4(4) . .
B507 B502 B503 57.9(3) . .
B506 B502 B501 58.0(4) . .
B507 B502 B501 105.6(5) . .
B503 B502 B501 107.4(4) . .
B506 B502 Sn5 118.5(4) . .
B507 B502 Sn5 117.1(3) . .
B503 B502 Sn5 65.5(3) . .
B501 B502 Sn5 67.0(3) . .
B506 B502 H502 123(3) . .
B507 B502 H502 124(3) . .
B503 B502 H502 122(3) . .
B501 B502 H502 123(3) . .
Sn5 B502 H502 108(3) . .
B507 B503 B508 60.6(4) . .
B507 B503 B502 58.6(3) . .
B508 B503 B502 107.2(5) . .
B507 B503 B504 106.1(5) . .
B508 B503 B504 57.2(3) . .
B502 B503 B504 108.5(4) . .
B507 B503 Sn5 119.8(4) . .
B508 B503 Sn5 117.8(4) . .
B502 B503 Sn5 67.9(3) . .
B504 B503 Sn5 66.1(3) . .
B507 B503 H503 117(3) . .
B508 B503 H503 118(3) . .
B502 B503 H503 122(3) . .
B504 B503 H503 125(3) . .
Sn5 B503 H503 114(3) . .
B508 B504 B509 60.5(4) . .
B508 B504 B505 106.3(4) . .
B509 B504 B505 58.0(3) . .
B508 B504 B503 57.8(4) . .
B509 B504 B503 105.9(4) . .
B505 B504 B503 106.8(4) . .
B508 B504 Sn5 118.1(4) . .
B509 B504 Sn5 118.9(4) . .
B505 B504 Sn5 67.0(3) . .
B503 B504 Sn5 65.8(3) . .
B508 B504 H504 122(3) . .
B509 B504 H504 118(3) . .
B505 B504 H504 121(3) . .
B503 B504 H504 127(3) . .
Sn5 B504 H504 111(3) . .
B509 B505 B510 60.2(4) . .
B509 B505 B501 106.1(4) . .
B510 B505 B501 58.3(4) . .
B509 B505 B504 58.2(4) . .
B510 B505 B504 107.0(4) . .
B501 B505 B504 108.0(4) . .
B509 B505 Sn5 118.0(4) . .
B510 B505 Sn5 119.7(4) . .
B501 B505 Sn5 67.4(3) . .
B504 B505 Sn5 65.8(3) . .
B509 B505 H505 121(3) . .
B510 B505 H505 119(3) . .
B501 B505 H505 123(3) . .
B504 B505 H505 123(3) . .
Sn5 B505 H505 111(3) . .
B502 B506 B501 64.2(4) . .
B502 B506 B507 60.7(4) . .
B501 B506 B507 110.9(5) . .
B502 B506 B511 109.9(5) . .
B501 B506 B511 108.7(5) . .
B507 B506 B511 59.6(4) . .
B502 B506 B510 111.9(5) . .
B501 B506 B510 59.8(4) . .
B507 B506 B510 108.3(5) . .
B511 B506 B510 59.8(4) . .
B502 B506 H506 124(4) . .
B501 B506 H506 122(4) . .
B507 B506 H506 122(4) . .
B511 B506 H506 118(4) . .
B510 B506 H506 117(4) . .
B503 B507 B511 109.9(5) . .
B503 B507 B506 110.3(4) . .
B511 B507 B506 60.7(4) . .
B503 B507 B502 63.5(4) . .
B511 B507 B502 109.8(5) . .
B506 B507 B502 59.3(4) . .
B503 B507 B508 60.0(4) . .
B511 B507 B508 60.3(4) . .
B506 B507 B508 108.6(5) . .
B502 B507 B508 110.6(4) . .
B503 B507 H507 118(3) . .
B511 B507 H507 122(3) . .
B506 B507 H507 123(3) . .
B502 B507 H507 120(3) . .
B508 B507 H507 121(3) . .
B504 B508 B503 65.0(4) . .
B504 B508 B511 109.7(5) . .
B503 B508 B511 108.7(4) . .
B504 B508 B509 60.3(4) . .
B503 B508 B509 111.4(4) . .
B511 B508 B509 59.7(4) . .
B504 B508 B507 111.5(4) . .
B503 B508 B507 59.5(4) . .
B511 B508 B507 59.3(4) . .
B509 B508 B507 107.5(5) . .
B504 B508 H508 118(3) . .
B503 B508 H508 121(3) . .
B511 B508 H508 121(3) . .
B509 B508 H508 120(3) . .
B507 B508 H508 123(3) . .
B511 B509 B505 109.1(5) . .
B511 B509 B504 109.1(5) . .
B505 B509 B504 63.8(4) . .
B511 B509 B508 60.1(4) . .
B505 B509 B508 109.8(4) . .
B504 B509 B508 59.2(4) . .
B511 B509 B510 60.3(4) . .
B505 B509 B510 60.0(4) . .
B504 B509 B510 111.3(4) . .
B508 B509 B510 108.5(5) . .
B511 B509 H509 124(3) . .
B505 B509 H509 119(3) . .
B504 B509 H509 116(3) . .
B508 B509 H509 120(3) . .
B510 B509 H509 124(3) . .
B501 B510 B505 63.0(3) . .
B501 B510 B509 109.5(5) . .
B505 B510 B509 59.8(4) . .
B501 B510 B511 107.7(5) . .
B505 B510 B511 108.4(5) . .
B509 B510 B511 59.5(4) . .
B501 B510 B506 58.8(4) . .
B505 B510 B506 109.0(5) . .
B509 B510 B506 107.1(5) . .
B511 B510 B506 59.6(4) . .
B501 B510 H510 116(4) . .
B505 B510 H510 121(4) . .
B509 B510 H510 127(4) . .
B511 B510 H510 124(4) . .
B506 B510 H510 119(4) . .
B507 B511 B509 108.9(5) . .
B507 B511 B508 60.4(4) . .
B509 B511 B508 60.3(4) . .
B507 B511 B506 59.7(4) . .
B509 B511 B506 108.3(4) . .
B508 B511 B506 107.8(5) . .
B507 B511 B510 108.9(5) . .
B509 B511 B510 60.2(4) . .
B508 B511 B510 108.6(5) . .
B506 B511 B510 60.5(4) . .
B507 B511 H511 123(3) . .
B509 B511 H511 121(3) . .
B508 B511 H511 123(3) . .
B506 B511 H511 121(3) . .
B510 B511 H511 119(3) . .
B610 B601 B606 60.5(4) . .
B610 B601 B602 106.2(4) . .
B606 B601 B602 57.9(3) . .
B610 B601 B605 57.7(5) . .
B606 B601 B605 106.5(5) . .
B602 B601 B605 107.8(4) . .
B610 B601 Sn6 117.4(5) . .
B606 B601 Sn6 118.2(3) . .
B602 B601 Sn6 66.7(2) . .
B605 B601 Sn6 65.9(3) . .
B610 B601 H601 118(3) . .
B606 B601 H601 118(3) . .
B602 B601 H601 124(3) . .
B605 B601 H601 124(3) . .
Sn6 B601 H601 114(3) . .
B606 B602 B607 60.4(3) . .
B606 B602 B601 58.3(3) . .
B607 B602 B601 106.5(4) . .
B606 B602 B603 105.9(4) . .
B607 B602 B603 57.3(3) . .
B601 B602 B603 107.7(4) . .
B606 B602 Sn6 117.7(4) . .
B607 B602 Sn6 117.8(3) . .
B601 B602 Sn6 65.8(3) . .
B603 B602 Sn6 66.8(2) . .
B606 B602 H602 117(3) . .
B607 B602 H602 117(3) . .
B601 B602 H602 124(3) . .
B603 B602 H602 124(3) . .
Sn6 B602 H602 115(3) . .
B608 B603 B607 60.6(3) . .
B608 B603 B604 58.4(3) . .
B607 B603 B604 106.9(4) . .
B608 B603 B602 107.0(4) . .
B607 B603 B602 58.1(3) . .
B604 B603 B602 108.0(4) . .
B608 B603 Sn6 118.3(4) . .
B607 B603 Sn6 117.4(3) . .
B604 B603 Sn6 66.3(3) . .
B602 B603 Sn6 65.6(2) . .
B608 B603 H603 121(3) . .
B607 B603 H603 120(3) . .
B604 B603 H603 124(3) . .
B602 B603 H603 121(3) . .
Sn6 B603 H603 111(3) . .
B609 B604 B608 60.2(4) . .
B609 B604 B603 106.1(5) . .
B608 B604 B603 57.8(3) . .
B609 B604 B605 58.7(4) . .
B608 B604 B605 107.1(5) . .
B603 B604 B605 108.2(4) . .
B609 B604 Sn6 117.6(5) . .
B608 B604 Sn6 118.1(4) . .
B603 B604 Sn6 66.8(2) . .
B605 B604 Sn6 65.5(3) . .
B609 B604 H604 124(3) . .
B608 B604 H604 118(3) . .
B603 B604 H604 119(3) . .
B605 B604 H604 127(3) . .
Sn6 B604 H604 111(3) . .
B610 B605 B609 59.9(5) . .
B610 B605 B604 106.0(5) . .
B609 B605 B604 57.6(5) . .
B610 B605 B601 58.1(5) . .
B609 B605 B601 106.1(5) . .
B604 B605 B601 108.3(4) . .
B610 B605 Sn6 117.8(5) . .
B609 B605 Sn6 118.2(4) . .
B604 B605 Sn6 67.2(3) . .
B601 B605 Sn6 66.1(3) . .
B610 B605 H605 117(3) . .
B609 B605 H605 121(3) . .
B604 B605 H605 127(3) . .
B601 B605 H605 120(3) . .
Sn6 B605 H605 113(3) . .
B602 B606 B601 63.8(3) . .
B602 B606 B611 109.2(5) . .
B601 B606 B611 109.3(5) . .
B602 B606 B607 60.1(3) . .
B601 B606 B607 110.7(4) . .
B611 B606 B607 59.5(4) . .
B602 B606 B610 110.3(5) . .
B601 B606 B610 59.7(4) . .
B611 B606 B610 59.7(5) . .
B607 B606 B610 107.2(6) . .
B602 B606 H606 116(3) . .
B601 B606 H606 119(3) . .
B611 B606 H606 124(3) . .
B607 B606 H606 120(3) . .
B610 B606 H606 125(3) . .
B603 B607 B611 109.1(4) . .
B603 B607 B602 64.6(3) . .
B611 B607 B602 109.4(4) . .
B603 B607 B608 59.6(3) . .
B611 B607 B608 59.9(4) . .
B602 B607 B608 111.3(4) . .
B603 B607 B606 111.0(4) . .
B611 B607 B606 60.2(4) . .
B602 B607 B606 59.6(3) . .
B608 B607 B606 108.5(5) . .
B603 B607 H607 121(2) . .
B611 B607 H607 120(3) . .
B602 B607 H607 121(3) . .
B608 B607 H607 120(3) . .
B606 B607 H607 121(2) . .
B603 B608 B609 110.3(4) . .
B603 B608 B611 109.0(5) . .
B609 B608 B611 60.0(5) . .
B603 B608 B604 63.8(4) . .
B609 B608 B604 59.4(4) . .
B611 B608 B604 108.9(5) . .
B603 B608 B607 59.7(3) . .
B609 B608 B607 107.7(5) . .
B611 B608 B607 59.7(4) . .
B604 B608 B607 110.4(4) . .
B603 B608 H608 119(3) . .
B609 B608 H608 124(3) . .
B611 B608 H608 120(3) . .
B604 B608 H608 123(3) . .
B607 B608 H608 119(3) . .
B604 B609 B608 60.4(4) . .
B604 B609 B610 110.8(5) . .
B608 B609 B610 108.6(5) . .
B604 B609 B611 109.7(5) . .
B608 B609 B611 60.0(4) . .
B610 B609 B611 60.3(5) . .
B604 B609 B605 63.7(4) . .
B608 B609 B605 111.3(5) . .
B610 B609 B605 59.8(5) . .
B611 B609 B605 109.6(6) . .
B604 B609 H609 127(4) . .
B608 B609 H609 124(4) . .
B610 B609 H609 115(4) . .
B611 B609 H609 115(4) . .
B605 B609 H609 121(4) . .
B605 B610 B609 60.4(5) . .
B605 B610 B601 64.2(4) . .
B609 B610 B601 111.4(5) . .
B605 B610 B611 109.8(6) . .
B609 B610 B611 59.9(5) . .
B601 B610 B611 109.4(5) . .
B605 B610 B606 111.0(5) . .
B609 B610 B606 108.1(5) . .
B601 B610 B606 59.8(4) . .
B611 B610 B606 59.9(4) . .
B605 B610 H610 119(4) . .
B609 B610 H610 125(4) . .
B601 B610 H610 115(4) . .
B611 B610 H610 124(4) . .
B606 B610 H610 120(4) . .
B607 B611 B608 60.4(4) . .
B607 B611 B609 108.2(5) . .
B608 B611 B609 60.0(5) . .
B607 B611 B610 108.4(5) . .
B608 B611 B610 108.2(5) . .
B609 B611 B610 59.8(5) . .
B607 B611 B606 60.3(4) . .
B608 B611 B606 108.9(4) . .
B609 B611 B606 108.5(5) . .
B610 B611 B606 60.4(5) . .
B607 B611 H611 122(3) . .
B608 B611 H611 118(3) . .
B609 B611 H611 119(3) . .
B610 B611 H611 123(3) . .
B606 B611 H611 124(3) . .
C75 N7 C75 179.999(3) . 2_666
C75 N7 C77 110.2(6) . .
C75 N7 C77 69.8(6) 2_666 .
C75 N7 C77 69.8(6) . 2_666
C75 N7 C77 110.2(6) 2_666 2_666
C77 N7 C77 179.998(3) . 2_666
C75 N7 C73 66.9(7) . 2_666
C75 N7 C73 113.1(7) 2_666 2_666
C77 N7 C73 69.2(6) . 2_666
C77 N7 C73 110.8(6) 2_666 2_666
C75 N7 C73 113.1(7) . .
C75 N7 C73 66.9(7) 2_666 .
C77 N7 C73 110.8(6) . .
C77 N7 C73 69.2(6) 2_666 .
C73 N7 C73 179.998(3) 2_666 .
C75 N7 C71 111.4(6) . .
C75 N7 C71 68.6(6) 2_666 .
C77 N7 C71 108.8(6) . .
C77 N7 C71 71.2(6) 2_666 .
C73 N7 C71 77.7(6) 2_666 .
C73 N7 C71 102.3(6) . .
C75 N7 C71 68.6(6) . 2_666
C75 N7 C71 111.4(6) 2_666 2_666
C77 N7 C71 71.2(6) . 2_666
C77 N7 C71 108.8(6) 2_666 2_666
C73 N7 C71 102.3(6) 2_666 2_666
C73 N7 C71 77.7(6) . 2_666
C71 N7 C71 179.998(4) . 2_666
C81 N8 C81 179.998(1) . 2
C81 N8 C85 65.7(6) . 2
C81 N8 C85 114.3(6) 2 2
C81 N8 C85 114.3(6) . .
C81 N8 C85 65.7(6) 2 .
C85 N8 C85 179.998(1) 2 .
C81 N8 C83 71.8(5) . 2
C81 N8 C83 108.2(5) 2 2
C85 N8 C83 112.3(6) 2 2
C85 N8 C83 67.7(6) . 2
C81 N8 C83 108.2(5) . .
C81 N8 C83 71.8(5) 2 .
C85 N8 C83 67.7(6) 2 .
C85 N8 C83 112.3(6) . .
C83 N8 C83 179.998(2) 2 .
C81 N8 C87 111.0(6) . .
C81 N8 C87 69.0(6) 2 .
C85 N8 C87 76.5(6) 2 .
C85 N8 C87 103.5(6) . .
C83 N8 C87 72.7(6) 2 .
C83 N8 C87 107.3(6) . .
C81 N8 C87 69.0(6) . 2
C81 N8 C87 111.0(6) 2 2
C85 N8 C87 103.5(6) 2 2
C85 N8 C87 76.5(6) . 2
C83 N8 C87 107.3(6) 2 2
C83 N8 C87 72.7(6) . 2
C87 N8 C87 179.997(2) . 2
C95 N9 C95 179.997(3) . 2_665
C95 N9 C91 63.1(7) . 2_665
C95 N9 C91 116.9(7) 2_665 2_665
C95 N9 C91 116.9(7) . .
C95 N9 C91 63.0(7) 2_665 .
C91 N9 C91 179.998(2) 2_665 .
C95 N9 C97 106.0(6) . .
C95 N9 C97 74.0(6) 2_665 .
C91 N9 C97 70.5(6) 2_665 .
C91 N9 C97 109.5(6) . .
C95 N9 C97 74.0(6) . 2_665
C95 N9 C97 106.0(6) 2_665 2_665
C91 N9 C97 109.5(6) 2_665 2_665
C91 N9 C97 70.5(6) . 2_665
C97 N9 C97 179.997(2) . 2_665
C95 N9 C93 113.4(7) . .
C95 N9 C93 66.6(6) 2_665 .
C91 N9 C93 76.5(7) 2_665 .
C91 N9 C93 103.5(7) . .
C97 N9 C93 107.2(6) . .
C97 N9 C93 72.8(6) 2_665 .
C95 N9 C93 66.6(6) . 2_665
C95 N9 C93 113.4(7) 2_665 2_665
C91 N9 C93 103.5(7) 2_665 2_665
C91 N9 C93 76.5(7) . 2_665
C97 N9 C93 72.8(6) . 2_665
C97 N9 C93 107.2(6) 2_665 2_665
C93 N9 C93 179.999(2) . 2_665
C105 N10 C105 179.999(4) 2_556 .
C105 N10 C101 65.9(7) 2_556 .
C105 N10 C101 114.1(7) . .
C105 N10 C101 114.1(7) 2_556 2_556
C105 N10 C101 65.9(7) . 2_556
C101 N10 C101 179.998(3) . 2_556
C105 N10 C107 69.0(7) 2_556 .
C105 N10 C107 111.0(7) . .
C101 N10 C107 107.9(7) . .
C101 N10 C107 72.1(7) 2_556 .
C105 N10 C107 111.0(7) 2_556 2_556
C105 N10 C107 69.0(7) . 2_556
C101 N10 C107 72.1(7) . 2_556
C101 N10 C107 107.9(7) 2_556 2_556
C107 N10 C107 179.998(2) . 2_556
C105 N10 C103 114.0(7) 2_556 2_556
C105 N10 C103 66.0(7) . 2_556
C101 N10 C103 76.0(7) . 2_556
C101 N10 C103 104.0(7) 2_556 2_556
C107 N10 C103 74.8(7) . 2_556
C107 N10 C103 105.2(7) 2_556 2_556
C105 N10 C103 66.0(7) 2_556 .
C105 N10 C103 114.0(7) . .
C101 N10 C103 104.0(7) . .
C101 N10 C103 76.0(7) 2_556 .
C107 N10 C103 105.2(7) . .
C107 N10 C103 74.8(7) 2_556 .
C103 N10 C103 179.999(3) 2_556 .
C72 C71 N7 115.6(10) . .
C72 C71 H71A 108.4 . .
N7 C71 H71A 108.4 . .
C72 C71 H71B 108.4 . .
N7 C71 H71B 108.4 . .
H71A C71 H71B 107.5 . .
C71 C72 H72A 109.5 . .
C71 C72 H72B 109.5 . .
H72A C72 H72B 109.5 . .
C71 C72 H72C 109.5 . .
H72A C72 H72C 109.5 . .
H72B C72 H72C 109.5 . .
C74 C73 N7 115.8(11) . .
C74 C73 H73A 108.3 . .
N7 C73 H73A 108.3 . .
C74 C73 H73B 108.3 . .
N7 C73 H73B 108.3 . .
H73A C73 H73B 107.4 . .
C73 C74 H74A 109.5 . .
C73 C74 H74B 109.5 . .
H74A C74 H74B 109.5 . .
C73 C74 H74C 109.5 . .
H74A C74 H74C 109.5 . .
H74B C74 H74C 109.5 . .
N7 C75 C76 117.1(10) . .
N7 C75 H75A 108.0 . .
C76 C75 H75A 108.0 . .
N7 C75 H75B 108.0 . .
C76 C75 H75B 108.0 . .
H75A C75 H75B 107.3 . .
C75 C76 H76A 109.5 . .
C75 C76 H76B 109.5 . .
H76A C76 H76B 109.5 . .
C75 C76 H76C 109.5 . .
H76A C76 H76C 109.5 . .
H76B C76 H76C 109.5 . .
C78 C77 N7 117.3(9) . .
C78 C77 H77A 108.0 . .
N7 C77 H77A 108.0 . .
C78 C77 H77B 108.0 . .
N7 C77 H77B 108.0 . .
H77A C77 H77B 107.2 . .
C77 C78 H78A 109.5 . .
C77 C78 H78B 109.5 . .
H78A C78 H78B 109.5 . .
C77 C78 H78C 109.5 . .
H78A C78 H78C 109.5 . .
H78B C78 H78C 109.5 . .
N8 C81 C82 111.7(8) . .
N8 C81 H81A 109.3 . .
C82 C81 H81A 109.3 . .
N8 C81 H81B 109.3 . .
C82 C81 H81B 109.3 . .
H81A C81 H81B 107.9 . .
C81 C82 H82A 109.5 . .
C81 C82 H82B 109.5 . .
H82A C82 H82B 109.5 . .
C81 C82 H82C 109.5 . .
H82A C82 H82C 109.5 . .
H82B C82 H82C 109.5 . .
N8 C83 C84 109.5(8) . .
N8 C83 H83A 109.8 . .
C84 C83 H83A 109.8 . .
N8 C83 H83B 109.8 . .
C84 C83 H83B 109.8 . .
H83A C83 H83B 108.2 . .
C83 C84 H84A 109.5 . .
C83 C84 H84B 109.5 . .
H84A C84 H84B 109.5 . .
C83 C84 H84C 109.5 . .
H84A C84 H84C 109.5 . .
H84B C84 H84C 109.5 . .
N8 C85 C86 113.1(9) . .
N8 C85 H85A 109.0 . .
C86 C85 H85A 109.0 . .
N8 C85 H85B 109.0 . .
C86 C85 H85B 109.0 . .
H85A C85 H85B 107.8 . .
C85 C86 H86A 109.5 . .
C85 C86 H86B 109.5 . .
H86A C86 H86B 109.5 . .
C85 C86 H86C 109.5 . .
H86A C86 H86C 109.5 . .
H86B C86 H86C 109.5 . .
C88 C87 N8 116.0(9) . .
C88 C87 H87A 108.3 . .
N8 C87 H87A 108.3 . .
C88 C87 H87B 108.3 . .
N8 C87 H87B 108.3 . .
H87A C87 H87B 107.4 . .
C87 C88 H88A 109.5 . .
C87 C88 H88B 109.5 . .
H88A C88 H88B 109.5 . .
C87 C88 H88C 109.5 . .
H88A C88 H88C 109.5 . .
H88B C88 H88C 109.5 . .
N9 C91 C92 114.6(10) . .
N9 C91 H91A 108.6 . .
C92 C91 H91A 108.6 . .
N9 C91 H91B 108.6 . .
C92 C91 H91B 108.6 . .
H91A C91 H91B 107.6 . .
C91 C92 H92A 109.5 . .
C91 C92 H92B 109.5 . .
H92A C92 H92B 109.5 . .
C91 C92 H92C 109.5 . .
H92A C92 H92C 109.5 . .
H92B C92 H92C 109.5 . .
C94 C93 N9 117.8(10) . .
C94 C93 H93A 107.9 . .
N9 C93 H93A 107.9 . .
C94 C93 H93B 107.9 . .
N9 C93 H93B 107.9 . .
H93A C93 H93B 107.2 . .
C93 C94 H94A 109.5 . .
C93 C94 H94B 109.5 . .
H94A C94 H94B 109.5 . .
C93 C94 H94C 109.5 . .
H94A C94 H94C 109.5 . .
H94B C94 H94C 109.5 . .
N9 C95 C96 115.4(10) . .
N9 C95 H95A 108.4 . .
C96 C95 H95A 108.4 . .
N9 C95 H95B 108.4 . .
C96 C95 H95B 108.4 . .
H95A C95 H95B 107.5 . .
C95 C96 H96A 109.5 . .
C95 C96 H96B 109.5 . .
H96A C96 H96B 109.5 . .
C95 C96 H96C 109.5 . .
H96A C96 H96C 109.5 . .
H96B C96 H96C 109.5 . .
C98 C97 N9 118.6(10) . .
C98 C97 H97A 107.7 . .
N9 C97 H97A 107.7 . .
C98 C97 H97B 107.7 . .
N9 C97 H97B 107.7 . .
H97A C97 H97B 107.1 . .
C97 C98 H98A 109.5 . .
C97 C98 H98B 109.5 . .
H98A C98 H98B 109.5 . .
C97 C98 H98C 109.5 . .
H98A C98 H98C 109.5 . .
H98B C98 H98C 109.5 . .
C102 C101 N10 116.8(10) . .
C102 C101 H10A 108.1 . .
N10 C101 H10A 108.1 . .
C102 C101 H10B 108.1 . .
N10 C101 H10B 108.1 . .
H10A C101 H10B 107.3 . .
C101 C102 H10C 109.5 . .
C101 C102 H10D 109.5 . .
H10C C102 H10D 109.5 . .
C101 C102 H10E 109.5 . .
H10C C102 H10E 109.5 . .
H10D C102 H10E 109.5 . .
C104 C103 N10 115.0(11) . .
C104 C103 H10F 108.5 . .
N10 C103 H10F 108.5 . .
C104 C103 H10G 108.5 . .
N10 C103 H10G 108.5 . .
H10F C103 H10G 107.5 . .
C103 C104 H10H 109.5 . .
C103 C104 H10I 109.5 . .
H10H C104 H10I 109.5 . .
C103 C104 H10J 109.5 . .
H10H C104 H10J 109.5 . .
H10I C104 H10J 109.5 . .
N10 C105 C106 116.9(12) . .
N10 C105 H10K 108.1 . .
C106 C105 H10K 108.1 . .
N10 C105 H10L 108.1 . .
C106 C105 H10L 108.1 . .
H10K C105 H10L 107.3 . .
C105 C106 H10M 109.5 . .
C105 C106 H10N 109.5 . .
H10M C106 H10N 109.5 . .
C105 C106 H10O 109.5 . .
H10M C106 H10O 109.5 . .
H10N C106 H10O 109.5 . .
C108 C107 N10 116.0(12) . .
C108 C107 H10P 108.3 . .
N10 C107 H10P 108.3 . .
C108 C107 H10Q 108.3 . .
N10 C107 H10Q 108.3 . .
H10P C107 H10Q 107.4 . .
C107 C108 H10R 109.5 . .
C107 C108 H10S 109.5 . .
H10R C108 H10S 109.5 . .
C107 C108 H10T 109.5 . .
H10R C108 H10T 109.5 . .
H10S C108 H10T 109.5 . .
C17 N1 C13 107.7(5) . .
C17 N1 C15 110.8(6) . .
C13 N1 C15 110.2(6) . .
C17 N1 C11 112.6(6) . .
C13 N1 C11 110.8(6) . .
C15 N1 C11 104.8(6) . .
N1 C11 C12 109.2(8) . .
N1 C11 H11A 109.8 . .
C12 C11 H11A 109.8 . .
N1 C11 H11B 109.8 . .
C12 C11 H11B 109.8 . .
H11A C11 H11B 108.3 . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N1 C13 C14 115.2(6) . .
N1 C13 H13A 108.5 . .
C14 C13 H13A 108.5 . .
N1 C13 H13B 108.5 . .
C14 C13 H13B 108.5 . .
H13A C13 H13B 107.5 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
N1 C15 C16 114.1(7) . .
N1 C15 H15A 108.7 . .
C16 C15 H15A 108.7 . .
N1 C15 H15B 108.7 . .
C16 C15 H15B 108.7 . .
H15A C15 H15B 107.6 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
N1 C17 C18 113.3(6) . .
N1 C17 H17A 108.9 . .
C18 C17 H17A 108.9 . .
N1 C17 H17B 108.9 . .
C18 C17 H17B 108.9 . .
H17A C17 H17B 107.7 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C23 N2 C27 106.1(4) . .
C23 N2 C25 111.8(4) . .
C27 N2 C25 111.3(4) . .
C23 N2 C21 110.6(4) . .
C27 N2 C21 110.4(4) . .
C25 N2 C21 106.6(4) . .
C22 C21 N2 115.7(4) . .
C22 C21 H21A 108.3 . .
N2 C21 H21A 108.3 . .
C22 C21 H21B 108.3 . .
N2 C21 H21B 108.3 . .
H21A C21 H21B 107.4 . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C24 C23 N2 115.3(5) . .
C24 C23 H23A 108.5 . .
N2 C23 H23A 108.5 . .
C24 C23 H23B 108.5 . .
N2 C23 H23B 108.5 . .
H23A C23 H23B 107.5 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C26 C25 N2 115.7(4) . .
C26 C25 H25A 108.4 . .
N2 C25 H25A 108.4 . .
C26 C25 H25B 108.4 . .
N2 C25 H25B 108.4 . .
H25A C25 H25B 107.4 . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
N2 C27 C28 115.7(5) . .
N2 C27 H27A 108.4 . .
C28 C27 H27A 108.4 . .
N2 C27 H27B 108.4 . .
C28 C27 H27B 108.4 . .
H27A C27 H27B 107.4 . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C31A N3 C35 169.6(12) . .
C31A N3 C31 79.7(11) . .
C35 N3 C31 110.5(5) . .
C31A N3 C37 63.2(11) . .
C35 N3 C37 113.0(5) . .
C31 N3 C37 109.6(5) . .
C31A N3 C33 61.1(11) . .
C35 N3 C33 112.3(5) . .
C31 N3 C33 108.4(5) . .
C37 N3 C33 102.6(5) . .
C31A N3 C35A 121.2(13) . .
C35 N3 C35A 48.5(8) . .
C31 N3 C35A 159.0(9) . .
C37 N3 C35A 84.1(9) . .
C33 N3 C35A 82.9(8) . .
C31A N3 C33A 116.1(13) . .
C35 N3 C33A 68.8(8) . .
C31 N3 C33A 64.8(8) . .
C37 N3 C33A 174.1(8) . .
C33 N3 C33A 81.4(8) . .
C35A N3 C33A 100.8(11) . .
C31A N3 C37A 117.2(14) . .
C35 N3 C37A 70.0(8) . .
C31 N3 C37A 67.0(8) . .
C37 N3 C37A 79.6(8) . .
C33 N3 C37A 175.4(8) . .
C35A N3 C37A 101.4(11) . .
C33A N3 C37A 96.1(10) . .
N3 C31 C32 118.2(6) . .
N3 C31 H31A 107.8 . .
C32 C31 H31A 107.8 . .
N3 C31 H31B 107.8 . .
C32 C31 H31B 107.8 . .
H31A C31 H31B 107.1 . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C34 C33 N3 113.7(6) . .
C34 C33 H33A 108.8 . .
N3 C33 H33A 108.8 . .
C34 C33 H33B 108.8 . .
N3 C33 H33B 108.8 . .
H33A C33 H33B 107.7 . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
N3 C35 C36 115.1(7) . .
N3 C35 H35A 108.5 . .
C36 C35 H35A 108.5 . .
N3 C35 H35B 108.5 . .
C36 C35 H35B 108.5 . .
H35A C35 H35B 107.5 . .
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C35 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C38 C37 N3 112.7(6) . .
C38 C37 H37A 109.1 . .
N3 C37 H37A 109.1 . .
C38 C37 H37B 109.1 . .
N3 C37 H37B 109.1 . .
H37A C37 H37B 107.8 . .
C37 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C37 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
N3 C31A C32A 119(2) . .
N3 C31A H31C 107.6 . .
C32A C31A H31C 107.6 . .
N3 C31A H31D 107.6 . .
C32A C31A H31D 107.6 . .
H31C C31A H31D 107.1 . .
C31A C32A H32D 109.5 . .
C31A C32A H32E 109.5 . .
H32D C32A H32E 109.5 . .
C31A C32A H32F 109.5 . .
H32D C32A H32F 109.5 . .
H32E C32A H32F 109.5 . .
C34A C33A N3 109.3(14) . .
C34A C33A H33C 109.8 . .
N3 C33A H33C 109.8 . .
C34A C33A H33D 109.8 . .
N3 C33A H33D 109.8 . .
H33C C33A H33D 108.3 . .
C33A C34A H34D 109.5 . .
C33A C34A H34E 109.5 . .
H34D C34A H34E 109.5 . .
C33A C34A H34F 109.5 . .
H34D C34A H34F 109.5 . .
H34E C34A H34F 109.5 . .
C36A C35A N3 122.8(17) . .
C36A C35A H35C 106.6 . .
N3 C35A H35C 106.6 . .
C36A C35A H35D 106.6 . .
N3 C35A H35D 106.6 . .
H35C C35A H35D 106.6 . .
C35A C36A H36D 109.5 . .
C35A C36A H36E 109.5 . .
H36D C36A H36E 109.5 . .
C35A C36A H36F 109.5 . .
H36D C36A H36F 109.5 . .
H36E C36A H36F 109.5 . .
C38A C37A N3 108.6(15) . .
C38A C37A H37C 110.0 . .
N3 C37A H37C 110.0 . .
C38A C37A H37D 110.0 . .
N3 C37A H37D 110.0 . .
H37C C37A H37D 108.3 . .
C37A C38A H38D 109.5 . .
C37A C38A H38E 109.5 . .
H38D C38A H38E 109.5 . .
C37A C38A H38F 109.5 . .
H38D C38A H38F 109.5 . .
H38E C38A H38F 109.5 . .
C41A N4 C45 175.0(11) . .
C41A N4 C41 68.1(10) . .
C45 N4 C41 109.0(4) . .
C41A N4 C45A 115.1(13) . .
C45 N4 C45A 67.6(9) . .
C41 N4 C45A 175.7(9) . .
C41A N4 C43 65.7(11) . .
C45 N4 C43 112.6(5) . .
C41 N4 C43 110.7(4) . .
C45A N4 C43 69.1(9) . .
C41A N4 C47 73.3(11) . .
C45 N4 C47 111.7(5) . .
C41 N4 C47 109.3(4) . .
C45A N4 C47 74.8(9) . .
C43 N4 C47 103.5(4) . .
C41A N4 C47A 120.1(14) . .
C45 N4 C47A 61.6(9) . .
C41 N4 C47A 72.6(9) . .
C45A N4 C47A 107.3(12) . .
C43 N4 C47A 174.2(9) . .
C47 N4 C47A 79.4(9) . .
C41A N4 C43A 112.3(14) . .
C45 N4 C43A 62.7(9) . .
C41 N4 C43A 73.0(9) . .
C45A N4 C43A 102.8(12) . .
C43 N4 C43A 80.1(9) . .
C47 N4 C43A 174.3(9) . .
C47A N4 C43A 96.6(12) . .
C41 C42 C41A 59.9(9) . .
C41 C42 H42A 109.5 . .
C41A C42 H42A 168.3 . .
C41 C42 H42B 109.5 . .
C41A C42 H42B 80.0 . .
H42A C42 H42B 109.5 . .
C41 C42 H42C 109.5 . .
C41A C42 H42C 72.3 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C41 C42 H42D 168.9 . .
C41A C42 H42D 110.7 . .
H42A C42 H42D 79.3 . .
H42B C42 H42D 72.7 . .
H42C C42 H42D 60.2 . .
C41 C42 H42E 70.0 . .
C41A C42 H42E 108.6 . .
H42A C42 H42E 61.1 . .
H42B C42 H42E 168.3 . .
H42C C42 H42E 81.2 . .
H42D C42 H42E 110.2 . .
C41 C42 H42F 79.9 . .
C41A C42 H42F 108.5 . .
H42A C42 H42F 72.2 . .
H42B C42 H42F 60.0 . .
H42C C42 H42F 168.4 . .
H42D C42 H42F 109.9 . .
H42E C42 H42F 109.0 . .
C42 C41 N4 116.1(5) . .
C42 C41 H42E 37.8 . .
N4 C41 H42E 136.1 . .
C42 C41 H41A 108.3 . .
N4 C41 H41A 108.3 . .
H42E C41 H41A 113.7 . .
C42 C41 H41B 108.3 . .
N4 C41 H41B 108.3 . .
H42E C41 H41B 71.1 . .
H41A C41 H41B 107.4 . .
C44 C43 N4 113.4(6) . .
C44 C43 H43A 108.9 . .
N4 C43 H43A 108.9 . .
C44 C43 H43B 108.9 . .
N4 C43 H43B 108.9 . .
H43A C43 H43B 107.7 . .
C43 C44 H44A 109.5 . .
C43 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C43 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
N4 C45 C46 115.0(6) . .
N4 C45 H45A 108.5 . .
C46 C45 H45A 108.5 . .
N4 C45 H45B 108.5 . .
C46 C45 H45B 108.5 . .
H45A C45 H45B 107.5 . .
C45 C46 H46A 109.5 . .
C45 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C45 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C48 C47 N4 114.0(6) . .
C48 C47 H47A 108.7 . .
N4 C47 H47A 108.7 . .
C48 C47 H47B 108.7 . .
N4 C47 H47B 108.7 . .
H47A C47 H47B 107.6 . .
C47 C48 H48A 109.5 . .
C47 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C47 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
N4 C41A C42 115.3(16) . .
N4 C41A H41C 108.4 . .
C42 C41A H41C 108.4 . .
N4 C41A H41D 108.4 . .
C42 C41A H41D 108.4 . .
H41C C41A H41D 107.5 . .
C44A C43A N4 112.8(17) . .
C44A C43A H43C 109.0 . .
N4 C43A H43C 109.0 . .
C44A C43A H43D 109.0 . .
N4 C43A H43D 109.0 . .
H43C C43A H43D 107.8 . .
C43A C44A H44D 109.5 . .
C43A C44A H44E 109.5 . .
H44D C44A H44E 109.5 . .
C43A C44A H44F 109.5 . .
H44D C44A H44F 109.5 . .
H44E C44A H44F 109.5 . .
N4 C45A C46A 114.4(17) . .
N4 C45A H45C 108.7 . .
C46A C45A H45C 108.7 . .
N4 C45A H45D 108.7 . .
C46A C45A H45D 108.7 . .
H45C C45A H45D 107.6 . .
C45A C46A H46D 109.5 . .
C45A C46A H46E 109.5 . .
H46D C46A H46E 109.5 . .
C45A C46A H46F 109.5 . .
H46D C46A H46F 109.5 . .
H46E C46A H46F 109.5 . .
C48A C47A N4 109.3(16) . .
C48A C47A H47C 109.8 . .
N4 C47A H47C 109.8 . .
C48A C47A H47D 109.8 . .
N4 C47A H47D 109.8 . .
H47C C47A H47D 108.3 . .
C47A C48A H48D 109.5 . .
C47A C48A H48E 109.5 . .
H48D C48A H48E 109.5 . .
C47A C48A H48F 109.5 . .
H48D C48A H48F 109.5 . .
H48E C48A H48F 109.5 . .
C55 N5 C51A 71.3(10) . .
C55 N5 C57 123.2(11) . .
C51A N5 C57 152.6(11) . .
C55 N5 C53A 97.4(10) . .
C51A N5 C53A 118.1(10) . .
C57 N5 C53A 84.9(10) . .
C55 N5 C57A 135.3(11) . .
C51A N5 C57A 116.3(11) . .
C57 N5 C57A 36.4(9) . .
C53A N5 C57A 113.1(11) . .
C55 N5 C51 113.1(9) . .
C51A N5 C51 49.1(8) . .
C57 N5 C51 104.7(9) . .
C53A N5 C51 133.2(9) . .
C57A N5 C51 68.7(9) . .
C55 N5 C53 106.4(9) . .
C51A N5 C53 89.5(9) . .
C57 N5 C53 105.9(9) . .
C53A N5 C53 33.9(7) . .
C57A N5 C53 117.3(9) . .
C51 N5 C53 101.2(8) . .
C55 N5 C55A 36.9(8) . .
C51A N5 C55A 102.3(9) . .
C57 N5 C55A 86.6(9) . .
C53A N5 C55A 100.3(9) . .
C57A N5 C55A 103.2(10) . .
C51 N5 C55A 125.5(8) . .
C53 N5 C55A 127.0(8) . .
C52 C51 N5 117.2(10) . .
C52 C51 H51A 108.0 . .
N5 C51 H51A 108.0 . .
C52 C51 H51B 108.0 . .
N5 C51 H51B 108.0 . .
H51A C51 H51B 107.2 . .
C51 C52 H52A 109.5 . .
C51 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C51 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C54 C53 N5 116.4(12) . .
C54 C53 H53A 108.2 . .
N5 C53 H53A 108.2 . .
C54 C53 H53B 108.2 . .
N5 C53 H53B 108.2 . .
H53A C53 H53B 107.3 . .
C53 C54 H54A 109.5 . .
C53 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
C53 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
N5 C55 C56 113.4(13) . .
N5 C55 H55A 108.9 . .
C56 C55 H55A 108.9 . .
N5 C55 H55B 108.9 . .
C56 C55 H55B 108.9 . .
H55A C55 H55B 107.7 . .
C55 C56 H56A 109.5 . .
C55 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
C55 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
N5 C57 C58 113.5(15) . .
N5 C57 H57A 108.9 . .
C58 C57 H57A 108.9 . .
N5 C57 H57B 108.9 . .
C58 C57 H57B 108.9 . .
H57A C57 H57B 107.7 . .
C57 C58 H58A 109.5 . .
C57 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
C57 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
N5 C51A C52A 110.9(15) . .
N5 C51A H51C 109.5 . .
C52A C51A H51C 109.5 . .
N5 C51A H51D 109.5 . .
C52A C51A H51D 109.5 . .
H51C C51A H51D 108.0 . .
C51A C52A H52D 109.5 . .
C51A C52A H52E 109.5 . .
H52D C52A H52E 109.5 . .
C51A C52A H52F 109.5 . .
H52D C52A H52F 109.5 . .
H52E C52A H52F 109.5 . .
C54A C53A N5 120.5(13) . .
C54A C53A H53C 107.2 . .
N5 C53A H53C 107.2 . .
C54A C53A H53D 107.2 . .
N5 C53A H53D 107.2 . .
H53C C53A H53D 106.8 . .
C53A C54A H54D 109.5 . .
C53A C54A H54E 109.5 . .
H54D C54A H54E 109.5 . .
C53A C54A H54F 109.5 . .
H54D C54A H54F 109.5 . .
H54E C54A H54F 109.5 . .
C56A C55A N5 116.7(11) . .
C56A C55A H55C 108.1 . .
N5 C55A H55C 108.1 . .
C56A C55A H55D 108.1 . .
N5 C55A H55D 108.1 . .
H55C C55A H55D 107.3 . .
C55A C56A H56D 109.5 . .
C55A C56A H56E 109.5 . .
H56D C56A H56E 109.5 . .
C55A C56A H56F 109.5 . .
H56D C56A H56F 109.5 . .
H56E C56A H56F 109.5 . .
C58A C57A N5 121.1(17) . .
C58A C57A H57C 107.1 . .
N5 C57A H57C 107.1 . .
C58A C57A H57D 107.1 . .
N5 C57A H57D 107.1 . .
H57C C57A H57D 106.8 . .
C57A C58A H58D 109.5 . .
C57A C58A H58E 109.5 . .
H58D C58A H58E 109.5 . .
C57A C58A H58F 109.5 . .
H58D C58A H58F 109.5 . .
H58E C58A H58F 109.5 . .
C61 N6 C67A 168.8(9) . .
C61 N6 C65 114.6(8) . .
C67A N6 C65 63.3(8) . .
C61 N6 C63A 70.1(11) . .
C67A N6 C63A 114.5(12) . .
C65 N6 C63A 167.6(12) . .
C61 N6 C67 107.7(7) . .
C67A N6 C67 65.0(7) . .
C65 N6 C67 111.0(8) . .
C63A N6 C67 77.0(11) . .
C61 N6 C61A 79.6(8) . .
C67A N6 C61A 106.6(9) . .
C65 N6 C61A 58.8(8) . .
C63A N6 C61A 112.9(12) . .
C67 N6 C61A 169.6(9) . .
C61 N6 C63 110.2(8) . .
C67A N6 C63 80.6(8) . .
C65 N6 C63 104.9(8) . .
C63A N6 C63 62.9(10) . .
C67 N6 C63 108.2(8) . .
C61A N6 C63 75.0(8) . .
C61 N6 C65A 58.9(9) . .
C67A N6 C65A 110.0(10) . .
C65 N6 C65A 85.7(9) . .
C63A N6 C65A 106.1(12) . .
C67 N6 C65A 72.5(9) . .
C61A N6 C65A 106.5(10) . .
C63 N6 C65A 167.8(10) . .
N6 C61 C62 116.3(10) . .
N6 C61 H61A 108.2 . .
C62 C61 H61A 108.2 . .
N6 C61 H61B 108.2 . .
C62 C61 H61B 108.2 . .
H61A C61 H61B 107.4 . .
C61 C62 H62A 109.5 . .
C61 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
C61 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
C64 C63 N6 116.5(10) . .
C64 C63 H63A 108.2 . .
N6 C63 H63A 108.2 . .
C64 C63 H63B 108.2 . .
N6 C63 H63B 108.2 . .
H63A C63 H63B 107.3 . .
C64 C63 H64E 40.9 . .
N6 C63 H64E 141.2 . .
H63A C63 H64E 109.4 . .
H63B C63 H64E 68.9 . .
C64 C63 H64F 36.7 . .
N6 C63 H64F 117.9 . .
H63A C63 H64F 73.5 . .
H63B C63 H64F 131.2 . .
H64E C63 H64F 65.4 . .
N6 C65 C66 114.7(13) . .
N6 C65 H65A 108.6 . .
C66 C65 H65A 108.6 . .
N6 C65 H65B 108.6 . .
C66 C65 H65B 108.6 . .
H65A C65 H65B 107.6 . .
C65 C66 H66A 109.5 . .
C65 C66 H66B 109.5 . .
H66A C66 H66B 109.5 . .
C65 C66 H66C 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
C68 C67 N6 115.2(8) . .
C68 C67 H67A 108.5 . .
N6 C67 H67A 108.5 . .
C68 C67 H67B 108.5 . .
N6 C67 H67B 108.5 . .
H67A C67 H67B 107.5 . .
C68 C67 H68F 38.8 . .
N6 C67 H68F 139.2 . .
H67A C67 H68F 110.3 . .
H67B C67 H68F 71.2 . .
C62A C61A N6 116.5(14) . .
C62A C61A H61C 108.2 . .
N6 C61A H61C 108.2 . .
C62A C61A H61D 108.2 . .
N6 C61A H61D 108.2 . .
H61C C61A H61D 107.3 . .
C61A C62A H62D 109.5 . .
C61A C62A H62E 109.5 . .
H62D C62A H62E 109.5 . .
C61A C62A H62F 109.5 . .
H62D C62A H62F 109.5 . .
H62E C62A H62F 109.5 . .
N6 C63A C64 113.1(16) . .
N6 C63A H63C 109.0 . .
C64 C63A H63C 109.0 . .
N6 C63A H63D 109.0 . .
C64 C63A H63D 109.0 . .
H63C C63A H63D 107.8 . .
C66A C65A N6 117.5(17) . .
C66A C65A H65C 107.9 . .
N6 C65A H65C 107.9 . .
C66A C65A H65D 107.9 . .
N6 C65A H65D 107.9 . .
H65C C65A H65D 107.2 . .
C65A C66A H66D 109.5 . .
C65A C66A H66E 109.5 . .
H66D C66A H66E 109.5 . .
C65A C66A H66F 109.5 . .
H66D C66A H66F 109.5 . .
H66E C66A H66F 109.5 . .
N6 C67A C68 114.0(10) . .
N6 C67A H67C 108.8 . .
C68 C67A H67C 108.8 . .
N6 C67A H67D 108.8 . .
C68 C67A H67D 108.8 . .
H67C C67A H67D 107.6 . .
C63 C64 C63A 65.6(12) . .
C63 C64 H64A 109.5 . .
C63A C64 H64A 168.4 . .
C63 C64 H64B 109.5 . .
C63A C64 H64B 82.2 . .
H64A C64 H64B 109.5 . .
C63 C64 H64C 109.5 . .
C63A C64 H64C 64.6 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
C63 C64 H64D 167.2 . .
C63A C64 H64D 107.7 . .
H64A C64 H64D 74.9 . .
H64B C64 H64D 79.4 . .
H64C C64 H64D 58.0 . .
C63 C64 H64E 62.1 . .
C63A C64 H64E 107.5 . .
H64A C64 H64E 61.7 . .
H64B C64 H64E 160.6 . .
H64C C64 H64E 90.0 . .
H64D C64 H64E 112.3 . .
C63 C64 H64F 80.4 . .
C63A C64 H64F 106.5 . .
H64A C64 H64F 82.3 . .
H64B C64 H64F 50.4 . .
H64C C64 H64F 159.8 . .
H64D C64 H64F 112.4 . .
H64E C64 H64F 110.2 . .
C67 C68 C67A 63.9(7) . .
C67 C68 H68A 109.5 . .
C67A C68 H68A 168.1 . .
C67 C68 H68B 109.5 . .
C67A C68 H68B 82.4 . .
H68A C68 H68B 109.5 . .
C67 C68 H68C 109.5 . .
C67A C68 H68C 66.0 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
C67 C68 H68E 167.4 . .
C67A C68 H68E 108.8 . .
H68A C68 H68E 75.7 . .
H68B C68 H68E 78.4 . .
H68C C68 H68E 58.1 . .
C67 C68 H68F 65.1 . .
C67A C68 H68F 108.3 . .
H68A C68 H68F 59.9 . .
H68B C68 H68F 162.0 . .
H68C C68 H68F 88.4 . .
H68E C68 H68F 110.3 . .
C67 C68 H68R 81.5 . .
C67A C68 H68R 109.1 . .
H68A C68 H68R 78.6 . .
H68B C68 H68R 52.7 . .
H68C C68 H68R 162.1 . .
H68E C68 H68R 111.0 . .
H68F C68 H68R 109.4 . .
N100 C111 C120 178.1(9) . .
C111 C120 H12G 109.5 . .
C111 C120 H12H 109.5 . .
H12G C120 H12H 109.5 . .
C111 C120 H12I 109.5 . .
H12G C120 H12I 109.5 . .
H12H C120 H12I 109.5 . .
N200 C210 C220 176.8(14) . .
N200 C210 H22I 136.7 . .
C220 C210 H22I 41.1 . .
N20A C20A C220 175(2) . .
C210 C220 C20A 97.7(12) . .
C210 C220 H22J 109.5 . .
C20A C220 H22J 147.7 . .
C210 C220 H22K 109.5 . .
C20A C220 H22K 42.5 . .
H22J C220 H22K 109.5 . .
C210 C220 H22L 109.5 . .
C20A C220 H22L 76.0 . .
H22J C220 H22L 109.5 . .
H22K C220 H22L 109.5 . .
C210 C220 H22G 132.0 . .
C20A C220 H22G 109.6 . .
H22J C220 H22G 38.5 . .
H22K C220 H22G 72.1 . .
H22L C220 H22G 115.0 . .
C210 C220 H22H 97.4 . .
C20A C220 H22H 108.8 . .
H22J C220 H22H 85.3 . .
H22K C220 H22H 141.8 . .
H22L C220 H22H 33.7 . .
H22G C220 H22H 109.4 . .
C210 C220 H22I 22.4 . .
C20A C220 H22I 109.7 . .
H22J C220 H22I 91.4 . .
H22K C220 H22I 105.0 . .
H22L C220 H22I 129.9 . .
H22G C220 H22I 109.5 . .
H22H C220 H22I 109.8 . .
N300 C310 C320 178.6(11) . .
N300 C310 H32J 142.7 . .
C320 C310 H32J 37.1 . .
N300 C310 H32L 137.9 . .
C320 C310 H32L 41.5 . .
H32J C310 H32L 75.8 . .
N30A C30B C320 172(3) . .
C30B C320 C310 106.4(14) . .
C30B C320 H32G 86.5 . .
C310 C320 H32G 109.5 . .
C30B C320 H32H 26.8 . .
C310 C320 H32H 109.5 . .
H32G C320 H32H 109.5 . .
C30B C320 H32I 132.3 . .
C310 C320 H32I 109.5 . .
H32G C320 H32I 109.5 . .
H32H C320 H32I 109.5 . .
C30B C320 H32J 107.3 . .
C310 C320 H32J 82.3 . .
H32G C320 H32J 30.4 . .
H32H C320 H32J 133.8 . .
H32I C320 H32J 107.7 . .
C30B C320 H32K 110.0 . .
C310 C320 H32K 135.7 . .
H32G C320 H32K 97.4 . .
H32H C320 H32K 92.9 . .
H32I C320 H32K 26.4 . .
H32J C320 H32K 109.5 . .
C30B C320 H32L 110.5 . .
C310 C320 H32L 31.6 . .
H32G C320 H32L 139.6 . .
H32H C320 H32L 98.8 . .
H32I C320 H32L 86.4 . .
H32J C320 H32L 110.0 . .
H32K C320 H32L 109.5 . .
N400 C410 C420 177.4(12) . .
C410 C420 H42G 109.5 . .
C410 C420 H42H 109.5 . .
H42G C420 H42H 109.5 . .
C410 C420 H42I 109.5 . .
H42G C420 H42I 109.5 . .
H42H C420 H42I 109.5 . .
N500 C510 C520 167(2) . .
N500 C510 H52G 131.0 . .
C520 C510 H52G 36.8 . .
N50A C50A C520 172(2) . .
C50A C520 C510 39.4(9) . .
C50A C520 H52J 141.4 . .
C510 C520 H52J 109.5 . .
C50A C520 H52K 75.3 . .
C510 C520 H52K 109.5 . .
H52J C520 H52K 109.5 . .
C50A C520 H52L 104.2 . .
C510 C520 H52L 109.5 . .
H52J C520 H52L 109.5 . .
H52K C520 H52L 109.5 . .
C50A C520 H52G 109.6 . .
C510 C520 H52G 75.6 . .
H52J C520 H52G 33.9 . .
H52K C520 H52G 121.0 . .
H52L C520 H52G 124.3 . .
C50A C520 H52H 109.5 . .
C510 C520 H52H 141.8 . .
H52J C520 H52H 83.7 . .
H52K C520 H52H 34.3 . .
H52L C520 H52H 98.7 . .
H52G C520 H52H 109.5 . .
C50A C520 H52I 109.2 . .
C510 C520 H52I 103.9 . .
H52J C520 H52I 99.4 . .
H52K C520 H52I 124.2 . .
H52L C520 H52I 15.0 . .
H52G C520 H52I 109.8 . .
H52H C520 H52I 109.2 . .
N600 C610 C620 174(2) . .
N600 C610 H62M 146.7 . .
C620 C610 H62M 38.8 . .
N60A C60A C620 172.7(18) . .
C610 C620 C60A 33.4(8) . .
C610 C620 H62G 109.5 . .
C60A C620 H62G 99.0 . .
C610 C620 H62H 109.5 . .
C60A C620 H62H 140.9 . .
H62G C620 H62H 109.5 . .
C610 C620 H62I 109.5 . .
C60A C620 H62I 84.4 . .
H62G C620 H62I 109.5 . .
H62H C620 H62I 109.5 . .
C610 C620 H62K 124.8 . .
C60A C620 H62K 109.7 . .
H62G C620 H62K 118.0 . .
H62H C620 H62K 80.3 . .
H62I C620 H62K 29.4 . .
C610 C620 H62L 120.4 . .
C60A C620 H62L 109.6 . .
H62G C620 H62L 11.3 . .
H62H C620 H62L 101.5 . .
H62I C620 H62L 106.0 . .
H62K C620 H62L 109.5 . .
C610 C620 H62M 75.8 . .
C60A C620 H62M 109.1 . .
H62G C620 H62M 110.9 . .
H62H C620 H62M 35.8 . .
H62I C620 H62M 134.3 . .
H62K C620 H62M 109.5 . .
H62L C620 H62M 109.5 . .
N700 C710 C721 152(2) . .
N700 C710 C720 155.4(17) . .
C721 C710 C720 50.7(17) . .
C710 C720 H72G 109.5 . .
C710 C720 H72H 109.5 . .
H72G C720 H72H 109.5 . .
C710 C720 H72I 109.5 . .
H72G C720 H72I 109.5 . .
H72H C720 H72I 109.5 . .
C710 C721 H72J 109.5 . .
C710 C721 H72K 109.5 . .
H72J C721 H72K 109.5 . .
C710 C721 H72L 109.5 . .
H72J C721 H72L 109.5 . .
H72K C721 H72L 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 Sn3 2.6445(5) .
Ag1 Ag3 2.7103(5) .
Ag1 Sn1 2.7809(5) .
Ag1 Ag2 2.8664(5) .
Ag1 Sn6 3.0208(5) .
Ag1 Sn2 3.0945(5) .
Ag1 Ag4 3.1424(6) .
Ag2 B501 2.650(5) .
Ag2 Sn6 2.7516(5) .
Ag2 Sn2 2.7877(5) .
Ag2 Ag3 2.8764(5) .
Ag2 Sn5 2.9643(5) .
Ag2 Ag4 3.1326(5) .
Ag2 H501 2.04(6) .
Ag3 Sn4 2.6414(5) .
Ag3 Sn1 2.7805(5) .
Ag3 Sn2 3.0623(5) .
Ag3 Sn6 3.1151(5) .
Ag4 Sn5 2.6664(5) .
Ag4 B301 2.739(5) .
Ag4 Sn3 2.8922(5) .
Ag4 Sn2 3.1459(6) .
Ag4 H201 2.11(5) .
Ag4 H301 2.23(5) .
Sn1 B101 2.318(6) .
Sn1 B105 2.323(6) .
Sn1 B103 2.328(6) .
Sn1 B102 2.334(5) .
Sn1 B104 2.334(6) .
Sn2 B204 2.311(6) .
Sn2 B203 2.320(6) .
Sn2 B205 2.336(6) .
Sn2 B201 2.360(6) .
Sn2 B202 2.370(6) .
Sn3 B304 2.313(5) .
Sn3 B303 2.318(5) .
Sn3 B305 2.356(5) .
Sn3 B302 2.364(6) .
Sn3 B301 2.376(6) .
Sn4 B404 2.329(5) .
Sn4 B402 2.332(5) .
Sn4 B403 2.338(6) .
Sn4 B401 2.340(6) .
Sn4 B405 2.345(6) .
Sn5 B503 2.326(6) .
Sn5 B504 2.331(6) .
Sn5 B505 2.352(6) .
Sn5 B502 2.368(6) .
Sn5 B501 2.371(6) .
Sn6 B605 2.307(7) .
Sn6 B601 2.310(6) .
Sn6 B602 2.325(5) .
Sn6 B604 2.338(6) .
Sn6 B603 2.346(5) .
B101 B110 1.758(9) .
B101 B106 1.769(8) .
B101 B102 1.866(9) .
B101 B105 1.885(9) .
B101 H101 1.05(5) .
B102 B107 1.762(8) .
B102 B106 1.765(8) .
B102 B103 1.870(8) .
B102 H102 1.11(5) .
B103 B108 1.774(8) .
B103 B107 1.777(8) .
B103 B104 1.873(9) .
B103 H103 1.13(6) .
B104 B109 1.768(9) .
B104 B108 1.774(8) .
B104 B105 1.874(9) .
B104 H104 1.09(6) .
B105 B109 1.756(9) .
B105 B110 1.774(9) .
B105 H105 1.11(6) .
B106 B110 1.771(9) .
B106 B107 1.781(9) .
B106 B111 1.785(8) .
B106 H106 1.08(5) .
B107 B111 1.775(8) .
B107 B108 1.779(8) .
B107 H107 1.11(6) .
B108 B111 1.775(9) .
B108 B109 1.783(9) .
B108 H108 1.11(6) .
B109 B110 1.767(10) .
B109 B111 1.781(8) .
B109 H109 1.08(6) .
B110 B111 1.779(9) .
B110 H110 1.11(6) .
B111 H111 1.14(6) .
B201 B210 1.766(9) .
B201 B206 1.773(8) .
B201 B202 1.866(9) .
B201 B205 1.870(9) .
B201 H201 1.08(5) .
B202 B207 1.771(9) .
B202 B206 1.778(9) .
B202 B203 1.863(9) .
B202 H202 1.09(5) .
B203 B208 1.769(9) .
B203 B207 1.771(8) .
B203 B204 1.895(8) .
B203 H203 1.14(6) .
B204 B208 1.768(8) .
B204 B209 1.773(9) .
B204 B205 1.876(9) .
B204 H204 1.01(5) .
B205 B210 1.761(8) .
B205 B209 1.770(9) .
B205 H205 1.08(5) .
B206 B207 1.770(9) .
B206 B211 1.781(9) .
B206 B210 1.788(9) .
B206 H206 1.15(6) .
B207 B211 1.772(9) .
B207 B208 1.781(9) .
B207 H207 1.13(6) .
B208 B211 1.760(9) .
B208 B209 1.802(9) .
B208 H208 1.04(5) .
B209 B210 1.767(10) .
B209 B211 1.792(9) .
B209 H209 1.10(5) .
B210 B211 1.783(9) .
B210 H210 1.12(6) .
B211 H211 1.13(6) .
B301 B306 1.764(8) .
B301 B310 1.779(8) .
B301 B302 1.845(8) .
B301 B305 1.862(7) .
B301 H301 1.14(5) .
B302 B306 1.757(8) .
B302 B307 1.778(8) .
B302 B303 1.867(8) .
B302 H302 1.08(5) .
B303 B307 1.757(8) .
B303 B308 1.777(7) .
B303 B304 1.912(8) .
B303 H303 1.10(5) .
B304 B308 1.764(8) .
B304 B309 1.774(8) .
B304 B305 1.879(7) .
B304 H304 1.05(6) .
B305 B310 1.758(8) .
B305 B309 1.776(8) .
B305 H305 1.12(5) .
B306 B311 1.770(9) .
B306 B307 1.772(8) .
B306 B310 1.790(8) .
B306 H306 1.04(6) .
B307 B311 1.777(8) .
B307 B308 1.791(9) .
B307 H307 1.10(5) .
B308 B311 1.774(8) .
B308 B309 1.789(8) .
B308 H308 1.11(5) .
B309 B311 1.753(9) .
B309 B310 1.756(8) .
B309 H309 1.16(6) .
B310 B311 1.771(8) .
B310 H310 1.06(6) .
B311 H311 1.12(5) .
B401 B410 1.766(8) .
B401 B406 1.773(9) .
B401 B405 1.859(8) .
B401 B402 1.865(8) .
B401 H401 1.10(5) .
B402 B406 1.754(8) .
B402 B407 1.776(8) .
B402 B403 1.870(8) .
B402 H402 1.10(5) .
B403 B408 1.753(7) .
B403 B407 1.766(8) .
B403 B404 1.864(8) .
B403 H403 1.09(4) .
B404 B409 1.756(8) .
B404 B408 1.780(8) .
B404 B405 1.856(8) .
B404 H404 1.14(5) .
B405 B409 1.752(8) .
B405 B410 1.754(8) .
B405 H405 1.20(5) .
B406 B407 1.778(9) .
B406 B411 1.784(8) .
B406 B410 1.785(8) .
B406 H406 1.16(5) .
B407 B411 1.768(8) .
B407 B408 1.772(8) .
B407 H407 1.13(5) .
B408 B409 1.782(8) .
B408 B411 1.783(8) .
B408 H408 1.13(5) .
B409 B410 1.763(8) .
B409 B411 1.778(8) .
B409 H409 1.06(6) .
B410 B411 1.764(9) .
B410 H410 1.14(6) .
B411 H411 1.11(6) .
B501 B506 1.751(8) .
B501 B510 1.770(9) .
B501 B505 1.851(9) .
B501 B502 1.859(9) .
B501 H501 1.13(6) .
B502 B506 1.749(10) .
B502 B507 1.772(9) .
B502 B503 1.859(8) .
B502 H502 1.18(6) .
B503 B507 1.760(10) .
B503 B508 1.769(9) .
B503 B504 1.895(9) .
B503 H503 1.12(5) .
B504 B508 1.757(9) .
B504 B509 1.778(10) .
B504 B505 1.877(9) .
B504 H504 1.13(6) .
B505 B509 1.774(8) .
B505 B510 1.776(10) .
B505 H505 1.11(6) .
B506 B507 1.761(10) .
B506 B511 1.779(9) .
B506 B510 1.796(12) .
B506 H506 1.01(7) .
B507 B511 1.759(12) .
B507 B508 1.779(9) .
B507 H507 1.16(6) .
B508 B511 1.777(10) .
B508 B509 1.780(10) .
B508 H508 1.08(6) .
B509 B511 1.770(11) .
B509 B510 1.781(10) .
B509 H509 1.11(5) .
B510 B511 1.784(11) .
B510 H510 1.12(8) .
B511 H511 1.13(7) .
B601 B610 1.770(10) .
B601 B606 1.771(9) .
B601 B602 1.868(8) .
B601 B605 1.878(11) .
B601 H601 1.05(5) .
B602 B606 1.763(8) .
B602 B607 1.773(8) .
B602 B603 1.885(7) .
B602 H602 1.08(5) .
B603 B608 1.756(8) .
B603 B607 1.758(7) .
B603 B604 1.863(8) .
B603 H603 1.03(5) .
B604 B609 1.753(12) .
B604 B608 1.769(9) .
B604 B605 1.862(11) .
B604 H604 1.06(6) .
B605 B610 1.763(12) .
B605 B609 1.774(10) .
B605 H605 1.08(6) .
B606 B611 1.776(11) .
B606 B607 1.777(8) .
B606 B610 1.785(12) .
B606 H606 1.17(6) .
B607 B611 1.762(9) .
B607 B608 1.774(8) .
B607 H607 1.19(5) .
B608 B609 1.766(10) .
B608 B611 1.766(11) .
B608 H608 1.16(6) .
B609 B610 1.765(15) .
B609 B611 1.765(12) .
B609 H609 1.05(7) .
B610 B611 1.773(10) .
B610 H610 1.12(8) .
B611 H611 1.08(6) .
N7 C75 1.465(11) .
N7 C75 1.465(11) 2_666
N7 C77 1.516(11) .
N7 C77 1.516(11) 2_666
N7 C73 1.520(13) 2_666
N7 C73 1.520(13) .
N7 C71 1.573(12) .
N7 C71 1.573(12) 2_666
N8 C81 1.457(10) .
N8 C81 1.457(10) 2
N8 C85 1.497(11) 2
N8 C85 1.497(11) .
N8 C83 1.524(10) 2
N8 C83 1.524(10) .
N8 C87 1.576(11) .
N8 C87 1.576(11) 2
N9 C95 1.441(11) .
N9 C95 1.441(11) 2_665
N9 C91 1.490(12) 2_665
N9 C91 1.491(12) .
N9 C97 1.547(11) .
N9 C97 1.547(11) 2_665
N9 C93 1.555(12) .
N9 C93 1.555(12) 2_665
N10 C105 1.403(13) 2_556
N10 C105 1.403(13) .
N10 C101 1.528(12) .
N10 C101 1.528(12) 2_556
N10 C107 1.549(12) .
N10 C107 1.549(12) 2_556
N10 C103 1.571(14) 2_556
N10 C103 1.571(14) .
C71 C72 1.455(17) .
C71 H71A 0.9700 .
C71 H71B 0.9700 .
C72 H72A 0.9600 .
C72 H72B 0.9600 .
C72 H72C 0.9600 .
C73 C74 1.491(19) .
C73 H73A 0.9700 .
C73 H73B 0.9700 .
C74 H74A 0.9600 .
C74 H74B 0.9600 .
C74 H74C 0.9600 .
C75 C76 1.50(2) .
C75 H75A 0.9700 .
C75 H75B 0.9700 .
C76 H76A 0.9600 .
C76 H76B 0.9600 .
C76 H76C 0.9600 .
C77 C78 1.502(18) .
C77 H77A 0.9700 .
C77 H77B 0.9700 .
C78 H78A 0.9600 .
C78 H78B 0.9600 .
C78 H78C 0.9600 .
C81 C82 1.685(17) .
C81 H81A 0.9700 .
C81 H81B 0.9700 .
C82 H82A 0.9600 .
C82 H82B 0.9600 .
C82 H82C 0.9600 .
C83 C84 1.527(17) .
C83 H83A 0.9700 .
C83 H83B 0.9700 .
C84 H84A 0.9600 .
C84 H84B 0.9600 .
C84 H84C 0.9600 .
C85 C86 1.512(17) .
C85 H85A 0.9700 .
C85 H85B 0.9700 .
C86 H86A 0.9600 .
C86 H86B 0.9600 .
C86 H86C 0.9600 .
C87 C88 1.503(18) .
C87 H87A 0.9700 .
C87 H87B 0.9700 .
C88 H88A 0.9600 .
C88 H88B 0.9600 .
C88 H88C 0.9600 .
C91 C92 1.507(18) .
C91 H91A 0.9700 .
C91 H91B 0.9700 .
C92 H92A 0.9600 .
C92 H92B 0.9600 .
C92 H92C 0.9600 .
C93 C94 1.494(19) .
C93 H93A 0.9700 .
C93 H93B 0.9700 .
C94 H94A 0.9600 .
C94 H94B 0.9600 .
C94 H94C 0.9600 .
C95 C96 1.534(19) .
C95 H95A 0.9700 .
C95 H95B 0.9700 .
C96 H96A 0.9600 .
C96 H96B 0.9600 .
C96 H96C 0.9600 .
C97 C98 1.47(2) .
C97 H97A 0.9700 .
C97 H97B 0.9700 .
C98 H98A 0.9600 .
C98 H98B 0.9600 .
C98 H98C 0.9600 .
C101 C102 1.460(18) .
C101 H10A 0.9700 .
C101 H10B 0.9700 .
C102 H10C 0.9600 .
C102 H10D 0.9600 .
C102 H10E 0.9600 .
C103 C104 1.485(19) .
C103 H10F 0.9700 .
C103 H10G 0.9700 .
C104 H10H 0.9600 .
C104 H10I 0.9600 .
C104 H10J 0.9600 .
C105 C106 1.67(3) .
C105 H10K 0.9700 .
C105 H10L 0.9700 .
C106 H10M 0.9600 .
C106 H10N 0.9600 .
C106 H10O 0.9600 .
C107 C108 1.36(2) .
C107 H10P 0.9700 .
C107 H10Q 0.9700 .
C108 H10R 0.9600 .
C108 H10S 0.9600 .
C108 H10T 0.9600 .
N1 C17 1.486(9) .
N1 C13 1.487(9) .
N1 C15 1.508(9) .
N1 C11 1.508(10) .
C11 C12 1.550(13) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C14 1.543(10) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 C16 1.529(12) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 C18 1.560(11) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
N2 C23 1.507(6) .
N2 C27 1.513(7) .
N2 C25 1.513(6) .
N2 C21 1.524(6) .
C21 C22 1.498(7) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 C24 1.506(8) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 C26 1.505(7) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 C28 1.513(8) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
N3 C31A 1.27(2) .
N3 C35 1.451(9) .
N3 C31 1.503(9) .
N3 C37 1.553(9) .
N3 C33 1.571(9) .
N3 C35A 1.59(2) .
N3 C33A 1.643(19) .
N3 C37A 1.65(2) .
C31 C32 1.516(11) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
C33 C34 1.503(11) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
C35 C36 1.524(12) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
C37 C38 1.509(12) .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
C31A C32A 1.50(4) .
C31A H31C 0.9700 .
C31A H31D 0.9700 .
C32A H32D 0.9600 .
C32A H32E 0.9600 .
C32A H32F 0.9600 .
C33A C34A 1.49(3) .
C33A H33C 0.9700 .
C33A H33D 0.9700 .
C34A H34D 0.9600 .
C34A H34E 0.9600 .
C34A H34F 0.9600 .
C35A C36A 1.51(3) .
C35A H35C 0.9700 .
C35A H35D 0.9700 .
C36A H36D 0.9600 .
C36A H36E 0.9600 .
C36A H36F 0.9600 .
C37A C38A 1.50(3) .
C37A H37C 0.9700 .
C37A H37D 0.9700 .
C38A H38D 0.9600 .
C38A H38E 0.9600 .
C38A H38F 0.9600 .
N4 C41A 1.33(2) .
N4 C45 1.461(8) .
N4 C41 1.506(7) .
N4 C45A 1.52(2) .
N4 C43 1.534(7) .
N4 C47 1.557(8) .
N4 C47A 1.59(2) .
N4 C43A 1.62(2) .
C42 C41 1.494(8) .
C42 C41A 1.68(2) .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
C42 H42D 0.9507 .
C42 H42E 0.9614 .
C42 H42F 0.9648 .
C41 H42E 1.4745 .
C41 H41A 0.9700 .
C41 H41B 0.9700 .
C43 C44 1.507(11) .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C44 H44A 0.9600 .
C44 H44B 0.9600 .
C44 H44C 0.9600 .
C45 C46 1.554(12) .
C45 H45A 0.9700 .
C45 H45B 0.9700 .
C46 H46A 0.9600 .
C46 H46B 0.9600 .
C46 H46C 0.9600 .
C47 C48 1.484(11) .
C47 H47A 0.9700 .
C47 H47B 0.9700 .
C48 H48A 0.9600 .
C48 H48B 0.9600 .
C48 H48C 0.9600 .
C41A H41C 0.9700 .
C41A H41D 0.9700 .
C43A C44A 1.54(3) .
C43A H43C 0.9700 .
C43A H43D 0.9700 .
C44A H44D 0.9600 .
C44A H44E 0.9600 .
C44A H44F 0.9600 .
C45A C46A 1.59(3) .
C45A H45C 0.9700 .
C45A H45D 0.9700 .
C46A H46D 0.9600 .
C46A H46E 0.9600 .
C46A H46F 0.9600 .
C47A C48A 1.57(3) .
C47A H47C 0.9700 .
C47A H47D 0.9700 .
C48A H48D 0.9600 .
C48A H48E 0.9600 .
C48A H48F 0.9600 .
N5 C55 1.366(16) .
N5 C51A 1.438(17) .
N5 C57 1.472(18) .
N5 C53A 1.477(17) .
N5 C57A 1.53(2) .
N5 C51 1.587(14) .
N5 C53 1.638(15) .
N5 C55A 1.670(16) .
C51 C52 1.508(19) .
C51 H51A 0.9700 .
C51 H51B 0.9700 .
C52 H52A 0.9600 .
C52 H52B 0.9600 .
C52 H52C 0.9600 .
C53 C54 1.56(2) .
C53 H53A 0.9700 .
C53 H53B 0.9700 .
C54 H54A 0.9600 .
C54 H54B 0.9600 .
C54 H54C 0.9600 .
C55 C56 1.52(2) .
C55 H55A 0.9700 .
C55 H55B 0.9700 .
C56 H56A 0.9600 .
C56 H56B 0.9600 .
C56 H56C 0.9600 .
C57 C58 1.54(3) .
C57 H57A 0.9700 .
C57 H57B 0.9700 .
C58 H58A 0.9600 .
C58 H58B 0.9600 .
C58 H58C 0.9600 .
C51A C52A 1.51(3) .
C51A H51C 0.9700 .
C51A H51D 0.9700 .
C52A H52D 0.9600 .
C52A H52E 0.9600 .
C52A H52F 0.9600 .
C53A C54A 1.44(2) .
C53A H53C 0.9700 .
C53A H53D 0.9700 .
C54A H54D 0.9600 .
C54A H54E 0.9600 .
C54A H54F 0.9600 .
C55A C56A 1.49(2) .
C55A H55C 0.9700 .
C55A H55D 0.9700 .
C56A H56D 0.9600 .
C56A H56E 0.9600 .
C56A H56F 0.9600 .
C57A C58A 1.43(3) .
C57A H57C 0.9700 .
C57A H57D 0.9700 .
C58A H58D 0.9600 .
C58A H58E 0.9600 .
C58A H58F 0.9600 .
N6 C61 1.473(13) .
N6 C67A 1.483(15) .
N6 C65 1.497(15) .
N6 C63A 1.51(2) .
N6 C67 1.526(13) .
N6 C61A 1.542(17) .
N6 C63 1.551(14) .
N6 C65A 1.589(19) .
C61 C62 1.507(17) .
C61 H61A 0.9700 .
C61 H61B 0.9700 .
C62 H62A 0.9600 .
C62 H62B 0.9600 .
C62 H62C 0.9600 .
C63 C64 1.423(16) .
C63 H63A 0.9700 .
C63 H63B 0.9700 .
C63 H64E 1.2910 .
C63 H64F 1.5755 .
C65 C66 1.51(2) .
C65 H65A 0.9700 .
C65 H65B 0.9700 .
C66 H66A 0.9600 .
C66 H66B 0.9600 .
C66 H66C 0.9600 .
C67 C68 1.495(13) .
C67 H67A 0.9700 .
C67 H67B 0.9700 .
C67 H68F 1.3967 .
C61A C62A 1.52(3) .
C61A H61C 0.9700 .
C61A H61D 0.9700 .
C62A H62D 0.9600 .
C62A H62E 0.9600 .
C62A H62F 0.9600 .
C63A C64 1.52(2) .
C63A H63C 0.9700 .
C63A H63D 0.9700 .
C65A C66A 1.38(3) .
C65A H65C 0.9700 .
C65A H65D 0.9700 .
C66A H66D 0.9600 .
C66A H66E 0.9600 .
C66A H66F 0.9600 .
C67A C68 1.559(16) .
C67A H67C 0.9700 .
C67A H67D 0.9700 .
C64 H64A 0.9600 .
C64 H64B 0.9600 .
C64 H64C 0.9600 .
C64 H64D 0.9312 .
C64 H64E 0.9564 .
C64 H64F 0.9553 .
C68 H68A 0.9600 .
C68 H68B 0.9600 .
C68 H68C 0.9600 .
C68 H68E 0.9458 .
C68 H68F 0.9643 .
C68 H68R 0.9571 .
N100 C111 1.145(10) .
C111 C120 1.405(9) .
C120 H12G 0.9600 .
C120 H12H 0.9600 .
C120 H12I 0.9600 .
N200 C210 1.137(15) .
C210 C220 1.303(14) .
C210 H22I 0.5549 .
N20A C20A 1.13(3) .
C20A C220 1.34(2) .
C220 H22J 0.9600 .
C220 H22K 0.9600 .
C220 H22L 0.9600 .
C220 H22G 0.9619 .
C220 H22H 0.9590 .
C220 H22I 0.9573 .
N300 C310 1.133(14) .
C310 C320 1.380(12) .
C310 H32J 1.5710 .
C310 H32L 0.7559 .
N30A C30B 1.12(3) .
C30B C320 1.23(2) .
C320 H32G 0.9600 .
C320 H32H 0.9600 .
C320 H32I 0.9600 .
C320 H32J 0.9568 .
C320 H32K 0.9629 .
C320 H32L 0.9565 .
N400 C410 1.130(12) .
C410 C420 1.390(12) .
C420 H42G 0.9600 .
C420 H42H 0.9600 .
C420 H42I 0.9600 .
N500 C510 1.20(3) .
C510 C520 1.48(2) .
C510 H52G 1.5457 .
N50A C50A 1.18(2) .
C50A C520 1.33(2) .
C520 H52J 0.9600 .
C520 H52K 0.9600 .
C520 H52L 0.9600 .
C520 H52G 0.9568 .
C520 H52H 0.9633 .
C520 H52I 0.9596 .
N600 C610 1.13(2) .
C610 C620 1.393(18) .
C610 H62M 1.4860 .
N60A C60A 1.16(2) .
C60A C620 1.516(19) .
C620 H62G 0.9600 .
C620 H62H 0.9600 .
C620 H62I 0.9600 .
C620 H62K 0.9600 .
C620 H62L 0.9599 .
C620 H62M 0.9600 .
N700 C710 1.132(17) .
C710 C721 1.35(3) .
C710 C720 1.474(18) .
C720 H72G 0.9600 .
C720 H72H 0.9600 .
C720 H72I 0.9600 .
C721 H72J 0.9600 .
C721 H72K 0.9600 .
C721 H72L 0.9600 .
