#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:08:07 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179363 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/60/4326010.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_4326010
loop_
_publ_author_name
'Binbin Zhou'
'Tobias Krämer'
'Amber L. Thompson'
'John E. McGrady'
'José M. Goicoechea'
_publ_contact_author             'José M. Goicoechea'
_publ_contact_author_email       jose.goicoechea@chem.ox.ac.uk
_publ_section_title
;
 A Highly Distorted Open-Shell Endohedral Zintl Cluster: [Mn@Pb12]3-
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8028
_journal_page_last               8037
_journal_paper_doi               10.1021/ic200329m
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         '3(C18 H36 K N2 O6), Mn Pb12, 1.5(C2 H8 N2)'
_chemical_formula_sum            'C57 H120 K3 Mn N9 O18 Pb12'
_chemical_formula_weight         3878.14
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.2300(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.44200(10)
_cell_length_b                   23.2970(2)
_cell_length_c                   50.4120(4)
_cell_measurement_reflns_used    182751
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      5.097
_cell_volume                     19221.1(3)
_computing_cell_refinement
;
KappaCCD software "DENZO" (Otwinowski & Minor, 1996)
;
_computing_data_collection
;
KappaCCD software "Collect" (Nonius, 2000)
;
_computing_data_reduction
;
KappaCCD software "DENZO" (Otwinowski & Minor, 1996)
;
_computing_molecular_graphics    'WinGX (Farrugia, 2005)'
_computing_publication_material  'XCIF (Sheldrick, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.950
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0843
_diffrn_reflns_av_sigmaI/netI    0.0568
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -59
_diffrn_reflns_number            41527
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         5.12
_exptl_absorpt_coefficient_mu    21.246
_exptl_absorpt_correction_T_max  0.2813
_exptl_absorpt_correction_T_min  0.0661
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            metallic_dark_grey
_exptl_crystal_density_diffrn    2.680
_exptl_crystal_description       plate
_exptl_crystal_F_000             13880
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_refine_diff_density_max         3.239
_refine_diff_density_min         -3.351
_refine_diff_density_rms         0.265
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.146
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2007
_refine_ls_number_reflns         32162
_refine_ls_number_restraints     141
_refine_ls_restrained_S_all      1.145
_refine_ls_R_factor_all          0.1220
_refine_ls_R_factor_gt           0.0783
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+885.0055P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1277
_refine_ls_wR_factor_ref         0.1380
_reflns_number_gt                22817
_reflns_number_total             32162
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic200329m_si_004_2.cif
_cod_data_source_block           1a
_cod_original_sg_symbol_H-M      'P 1 21/c 1 '
_cod_database_code               4326010
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 0.7374(2) 0.50192(15) 0.74780(8) 0.0237(7) Uani 0.905(5) 1 d P A 1
Pb1 Pb 0.60551(11) 0.52676(9) 0.77943(5) 0.0354(4) Uani 0.905(5) 1 d P A 1
Pb2 Pb 0.76012(10) 0.60661(8) 0.79320(4) 0.0381(4) Uani 0.905(5) 1 d P A 1
Pb3 Pb 0.71853(10) 0.39571(9) 0.70279(4) 0.0399(4) Uani 0.905(5) 1 d P A 1
Pb4 Pb 0.87196(9) 0.47515(6) 0.71653(4) 0.0336(4) Uani 0.905(5) 1 d P A 1
Pb5 Pb 0.62532(11) 0.60915(8) 0.73389(4) 0.0427(4) Uani 0.905(5) 1 d P A 1
Pb6 Pb 0.78007(11) 0.47703(10) 0.81129(5) 0.0491(5) Uani 0.905(5) 1 d P A 1
Pb7 Pb 0.69793(9) 0.52373(8) 0.68414(4) 0.0469(4) Uani 0.905(5) 1 d P A 1
Pb8 Pb 0.85096(9) 0.39484(8) 0.76276(4) 0.0414(4) Uani 0.905(5) 1 d P A 1
Pb9 Pb 0.57068(9) 0.48300(8) 0.71260(4) 0.0377(4) Uani 0.905(5) 1 d P A 1
Pb10 Pb 0.66625(11) 0.39912(7) 0.76135(5) 0.0463(4) Uani 0.905(5) 1 d P A 1
Pb11 Pb 0.80825(10) 0.60388(6) 0.73378(4) 0.0438(4) Uani 0.905(5) 1 d P A 1
Pb12 Pb 0.90558(9) 0.52170(8) 0.78288(4) 0.0360(4) Uani 0.905(5) 1 d P A 1
Mn1A Mn 0.767(2) 0.4917(17) 0.7517(9) 0.0237(7) Uani 0.095(5) 1 d P A 2
Pb1A Pb 0.6349(14) 0.5215(11) 0.7852(5) 0.055(6) Uani 0.095(5) 1 d P A 2
Pb2A Pb 0.7888(14) 0.5988(10) 0.7990(4) 0.077(7) Uani 0.095(5) 1 d P A 2
Pb3A Pb 0.745(2) 0.3956(14) 0.7095(6) 0.104(10) Uani 0.095(5) 1 d P A 2
Pb4A Pb 0.9001(16) 0.4730(11) 0.7245(4) 0.091(8) Uani 0.095(5) 1 d P A 2
Pb5A Pb 0.6528(14) 0.5979(8) 0.7352(5) 0.066(6) Uani 0.095(5) 1 d P A 2
Pb6A Pb 0.8098(16) 0.4822(12) 0.8191(4) 0.078(7) Uani 0.095(5) 1 d P A 2
Pb7A Pb 0.7298(19) 0.5240(14) 0.6912(5) 0.114(10) Uani 0.095(5) 1 d P A 2
Pb8A Pb 0.8817(18) 0.3925(12) 0.7697(5) 0.101(9) Uani 0.095(5) 1 d P A 2
Pb9A Pb 0.6003(15) 0.4758(10) 0.7192(4) 0.061(6) Uani 0.095(5) 1 d P A 2
Pb1B Pb 0.6998(13) 0.3977(10) 0.7687(5) 0.067(5) Uani 0.095(5) 1 d P A 2
Pb2B Pb 0.8433(14) 0.5982(8) 0.7414(4) 0.084(6) Uani 0.095(5) 1 d P A 2
Pb3B Pb 0.9355(15) 0.5149(10) 0.7894(4) 0.068(6) Uani 0.095(5) 1 d P A 2
Mn2 Mn 0.5000 0.5000 1.0000 0.0286(9) Uani 1 2 d S . .
Pb21 Pb 0.31443(6) 0.52526(5) 0.99744(2) 0.0646(3) Uani 1 1 d . . .
Pb22 Pb 0.42329(7) 0.43705(5) 1.04093(3) 0.0843(4) Uani 1 1 d . . .
Pb23 Pb 0.36046(8) 0.41180(6) 0.97494(4) 0.1147(6) Uani 1 1 d . . .
Pb24 Pb 0.37688(8) 0.52318(6) 0.94220(2) 0.0984(5) Uani 1 1 d . . .
Pb25 Pb 0.44671(7) 0.61689(4) 0.98715(2) 0.0720(3) Uani 1 1 d . . .
Pb26 Pb 0.47840(7) 0.56595(5) 1.04791(2) 0.0846(4) Uani 1 1 d . . .
Mn3 Mn 0.0000 0.0000 1.0000 0.0264(9) Uani 1 2 d S . .
Pb31 Pb 0.04448(10) 0.05054(10) 0.94735(4) 0.0413(5) Uani 0.815(9) 1 d P B 3
Pb32 Pb 0.08188(13) -0.07791(10) 0.96228(6) 0.0474(6) Uani 0.815(9) 1 d P . 3
Pb33 Pb -0.10205(11) -0.03395(8) 0.94089(5) 0.0402(5) Uani 0.815(9) 1 d P . 3
Pb34 Pb -0.11703(8) 0.08446(7) 0.96911(4) 0.0397(6) Uani 0.815(9) 1 d P . 3
Pb35 Pb 0.06271(11) 0.11585(8) 1.00698(5) 0.0402(5) Uani 0.815(9) 1 d P . 3
Pb36 Pb 0.18487(10) 0.01631(12) 1.00245(6) 0.0384(6) Uani 0.815(9) 1 d P . 3
Pb1C Pb 0.0524(12) 0.1151(8) 1.0140(5) 0.126(7) Uani 0.185(9) 1 d P B 4
Pb2C Pb 0.1245(12) 0.0164(11) 1.0564(3) 0.118(6) Uani 0.185(9) 1 d P . 4
Pb3C Pb 0.1818(10) 0.0254(9) 1.0035(4) 0.111(7) Uani 0.185(9) 1 d P . 4
Pb4C Pb 0.0230(11) 0.0692(7) 0.9536(3) 0.096(4) Uani 0.185(9) 1 d P . 4
Pb5C Pb -0.1357(11) 0.0904(8) 0.9789(5) 0.156(7) Uani 0.185(9) 1 d P . 4
Pb6C Pb -0.0637(14) 0.0608(11) 1.0426(5) 0.138(7) Uani 0.185(9) 1 d P . 4
K1 K 0.4176(3) 0.13365(19) 0.91319(10) 0.0394(11) Uani 1 1 d . . .
K2 K 0.5773(2) 0.75152(17) 0.89142(9) 0.0320(9) Uani 1 1 d . . .
K3 K 0.1582(3) 0.62136(19) 0.69176(10) 0.0423(11) Uani 1 1 d . . .
K4 K 0.3153(3) 0.40010(19) 0.79788(10) 0.0444(12) Uani 1 1 d . . .
K5 K 0.0717(2) 0.74581(17) 0.88888(9) 0.0335(10) Uani 1 1 d . . .
K6 K 0.1042(3) 0.8556(2) 0.59173(11) 0.0542(13) Uani 1 1 d . . .
N11 N 0.5476(10) 0.0552(9) 0.9056(4) 0.055(5) Uani 1 1 d . . .
N12 N 0.2905(11) 0.2094(8) 0.9227(4) 0.056(5) Uani 1 1 d . . .
N21 N 0.4934(11) 0.7229(7) 0.8297(3) 0.041(4) Uani 1 1 d . . .
N22 N 0.6631(11) 0.7805(9) 0.9529(4) 0.056(5) Uani 1 1 d . . .
N31 N 0.2316(13) 0.5777(9) 0.6517(5) 0.063(6) Uani 1 1 d . . .
N32 N 0.0862(11) 0.6719(9) 0.7316(4) 0.054(5) Uani 1 1 d . . .
N41 N 0.3859(11) 0.3266(7) 0.7628(4) 0.049(5) Uani 1 1 d . . .
N42 N 0.2437(9) 0.4766(7) 0.8332(3) 0.039(4) Uani 1 1 d . . .
N51 N 0.1482(12) 0.7107(7) 0.9503(3) 0.048(5) Uani 1 1 d . . .
N52 N -0.0044(10) 0.7805(8) 0.8270(3) 0.046(5) Uani 1 1 d . . .
N61 N -0.0250(12) 0.9044(11) 0.6106(6) 0.086(8) Uani 1 1 d . . .
N62 N 0.2383(13) 0.8004(8) 0.5756(4) 0.063(6) Uani 1 1 d U . .
O11 O 0.4376(9) 0.1309(6) 0.8618(3) 0.046(4) Uani 1 1 d . . .
O12 O 0.3308(10) 0.2143(7) 0.8709(3) 0.059(4) Uani 1 1 d . . .
O13 O 0.5876(9) 0.1539(8) 0.9430(4) 0.081(6) Uani 1 1 d . . .
O14 O 0.4661(9) 0.2134(7) 0.9572(3) 0.064(5) Uani 1 1 d . . .
O15 O 0.4159(10) 0.0141(7) 0.9225(4) 0.066(5) Uani 1 1 d . . .
O16 O 0.2852(9) 0.0819(7) 0.9237(4) 0.063(5) Uani 1 1 d . . .
O21 O 0.5795(8) 0.8321(5) 0.8493(3) 0.037(3) Uani 1 1 d . . .
O22 O 0.6364(7) 0.8649(5) 0.9075(3) 0.036(3) Uani 1 1 d . . .
O23 O 0.6357(9) 0.6597(6) 0.8676(3) 0.053(4) Uani 1 1 d . . .
O24 O 0.7285(9) 0.6984(6) 0.9225(4) 0.057(4) Uani 1 1 d . . .
O25 O 0.4078(8) 0.7209(6) 0.8715(3) 0.051(4) Uani 1 1 d . . .
O26 O 0.4962(8) 0.7338(6) 0.9295(3) 0.048(4) Uani 1 1 d . . .
O31 O 0.0804(10) 0.6405(8) 0.6334(3) 0.063(5) Uani 1 1 d . . .
O32 O 0.0240(9) 0.6996(7) 0.6710(3) 0.061(4) Uani 1 1 d . . .
O33 O 0.3183(9) 0.6565(8) 0.6974(3) 0.067(5) Uani 1 1 d . . .
O34 O 0.2637(8) 0.6871(6) 0.7411(3) 0.047(4) Uani 1 1 d . . .
O35 O 0.1862(9) 0.4993(7) 0.6911(4) 0.071(5) Uani 1 1 d . . .
O36 O 0.0911(9) 0.5470(7) 0.7204(4) 0.063(5) Uani 1 1 d . . .
O41 O 0.3750(10) 0.4533(7) 0.7601(4) 0.068(5) Uani 1 1 d . . .
O42 O 0.3020(9) 0.5232(6) 0.7886(3) 0.056(4) Uani 1 1 d . . .
O43 O 0.4420(9) 0.3196(7) 0.8245(3) 0.062(5) Uani 1 1 d . . .
O44 O 0.3856(10) 0.3984(7) 0.8572(3) 0.063(4) Uani 1 1 d . . .
O45 O 0.2150(8) 0.3159(5) 0.7594(3) 0.040(3) Uani 1 1 d . . .
O46 O 0.1551(8) 0.3773(6) 0.7975(3) 0.045(4) Uani 1 1 d . . .
O51 O 0.1163(10) 0.6295(6) 0.9028(3) 0.055(4) Uani 1 1 d . . .
O52 O 0.0668(8) 0.6666(5) 0.8459(3) 0.045(4) Uani 1 1 d . . .
O53 O 0.2260(9) 0.7916(7) 0.9226(4) 0.062(5) Uani 1 1 d . . .
O54 O 0.1420(9) 0.8369(6) 0.8674(3) 0.053(4) Uani 1 1 d . . .
O55 O -0.0100(8) 0.7673(6) 0.9259(3) 0.047(4) Uani 1 1 d . . .
O56 O -0.0923(8) 0.7856(6) 0.8679(3) 0.046(4) Uani 1 1 d . . .
O61 O 0.0764(11) 0.9746(8) 0.5845(5) 0.098(7) Uani 1 1 d U . .
O62 O 0.2170(9) 0.9244(7) 0.5776(4) 0.059(4) Uani 1 1 d . . .
O63 O -0.0637(17) 0.8147(13) 0.5672(6) 0.149(11) Uani 1 1 d U . .
O64 O 0.0533(13) 0.7891(8) 0.5426(4) 0.086(6) Uani 1 1 d U . .
O65 O 0.1128(10) 0.8386(7) 0.6478(4) 0.066(5) Uani 1 1 d . . .
O66 O 0.2295(10) 0.7806(6) 0.6312(3) 0.058(4) Uani 1 1 d . . .
C101 C 0.5305(13) 0.0504(12) 0.8754(5) 0.063(7) Uani 1 1 d . . .
H10A H 0.4845 0.0233 0.8674 0.076 Uiso 1 1 calc R . .
H10B H 0.5789 0.0339 0.8722 0.076 Uiso 1 1 calc R . .
C102 C 0.5092(11) 0.1064(10) 0.8596(4) 0.045(6) Uani 1 1 d . . .
H10C H 0.5552 0.1336 0.8672 0.054 Uiso 1 1 calc R . .
H10D H 0.5011 0.0998 0.8394 0.054 Uiso 1 1 calc R . .
C103 C 0.4097(15) 0.1782(9) 0.8445(5) 0.055(6) Uani 1 1 d . . .
H10E H 0.4097 0.1691 0.8253 0.067 Uiso 1 1 calc R . .
H10F H 0.4479 0.2106 0.8519 0.067 Uiso 1 1 calc R . .
C104 C 0.3266(14) 0.1962(11) 0.8426(5) 0.055(6) Uani 1 1 d . . .
H10G H 0.3078 0.2284 0.8290 0.066 Uiso 1 1 calc R . .
H10H H 0.2879 0.1639 0.8359 0.066 Uiso 1 1 calc R . .
C105 C 0.2529(14) 0.2295(9) 0.8707(5) 0.055(7) Uani 1 1 d . . .
H10I H 0.2164 0.1956 0.8665 0.066 Uiso 1 1 calc R . .
H10J H 0.2286 0.2592 0.8562 0.066 Uiso 1 1 calc R . .
C106 C 0.2637(16) 0.2531(12) 0.9006(6) 0.074(8) Uani 1 1 d . . .
H10K H 0.3043 0.2846 0.9051 0.089 Uiso 1 1 calc R . .
H10L H 0.2110 0.2694 0.9004 0.089 Uiso 1 1 calc R . .
C107 C 0.6297(15) 0.0799(13) 0.9191(6) 0.077(9) Uani 1 1 d . . .
H10M H 0.6386 0.1108 0.9070 0.093 Uiso 1 1 calc R . .
H10N H 0.6714 0.0498 0.9211 0.093 Uiso 1 1 calc R . .
C108 C 0.6396(14) 0.1037(13) 0.9476(6) 0.083(9) Uani 1 1 d . . .
H10O H 0.6232 0.0749 0.9590 0.099 Uiso 1 1 calc R . .
H10P H 0.6973 0.1144 0.9577 0.099 Uiso 1 1 calc R . .
C109 C 0.6050(15) 0.1869(15) 0.9686(7) 0.101(11) Uani 1 1 d U . .
H10Q H 0.6615 0.2020 0.9746 0.122 Uiso 1 1 calc R . .
H10R H 0.5997 0.1624 0.9839 0.122 Uiso 1 1 calc R . .
C110 C 0.5467(13) 0.2342(12) 0.9628(7) 0.087(10) Uani 1 1 d . . .
H11A H 0.5617 0.2602 0.9794 0.104 Uiso 1 1 calc R . .
H11B H 0.5489 0.2564 0.9464 0.104 Uiso 1 1 calc R . .
C111 C 0.4099(13) 0.2595(9) 0.9555(5) 0.050(6) Uani 1 1 d . . .
H11C H 0.4097 0.2860 0.9401 0.060 Uiso 1 1 calc R . .
H11D H 0.4285 0.2814 0.9734 0.060 Uiso 1 1 calc R . .
C112 C 0.3266(13) 0.2385(10) 0.9501(5) 0.051(6) Uani 1 1 d . . .
H11E H 0.2914 0.2714 0.9509 0.062 Uiso 1 1 calc R . .
H11F H 0.3273 0.2115 0.9654 0.062 Uiso 1 1 calc R . .
C113 C 0.5433(19) -0.0026(11) 0.9179(7) 0.088(10) Uani 1 1 d . . .
H11G H 0.5745 -0.0306 0.9109 0.105 Uiso 1 1 calc R . .
H11H H 0.5685 -0.0007 0.9387 0.105 Uiso 1 1 calc R . .
C114 C 0.4569(17) -0.0220(11) 0.9100(7) 0.077(8) Uani 1 1 d . . .
H11I H 0.4301 -0.0211 0.8892 0.092 Uiso 1 1 calc R . .
H11J H 0.4552 -0.0619 0.9165 0.092 Uiso 1 1 calc R . .
C115 C 0.3383(17) -0.0085(12) 0.9195(8) 0.089(10) Uani 1 1 d . . .
H11K H 0.3438 -0.0487 0.9263 0.106 Uiso 1 1 calc R . .
H11L H 0.3031 -0.0083 0.8993 0.106 Uiso 1 1 calc R . .
C116 C 0.2995(17) 0.0283(12) 0.9367(7) 0.081(9) Uani 1 1 d . . .
H11M H 0.2477 0.0109 0.9366 0.098 Uiso 1 1 calc R . .
H11N H 0.3370 0.0317 0.9565 0.098 Uiso 1 1 calc R . .
C117 C 0.2438(16) 0.1153(13) 0.9376(6) 0.076(8) Uani 1 1 d . . .
H11O H 0.2793 0.1219 0.9575 0.092 Uiso 1 1 calc R . .
H11P H 0.1940 0.0950 0.9377 0.092 Uiso 1 1 calc R . .
C118 C 0.2207(12) 0.1720(11) 0.9225(5) 0.058(7) Uani 1 1 d . . .
H11Q H 0.1866 0.1643 0.9026 0.070 Uiso 1 1 calc R . .
H11R H 0.1866 0.1935 0.9313 0.070 Uiso 1 1 calc R . .
C201 C 0.5115(15) 0.7668(10) 0.8123(5) 0.059(6) Uani 1 1 d . . .
H20A H 0.4697 0.7650 0.7931 0.071 Uiso 1 1 calc R . .
H20B H 0.5651 0.7582 0.8105 0.071 Uiso 1 1 calc R . .
C202 C 0.5138(15) 0.8276(8) 0.8235(4) 0.053(6) Uani 1 1 d . . .
H20C H 0.5208 0.8554 0.8097 0.063 Uiso 1 1 calc R . .
H20D H 0.4618 0.8363 0.8265 0.063 Uiso 1 1 calc R . .
C203 C 0.5910(14) 0.8908(8) 0.8583(5) 0.048(6) Uani 1 1 d . . .
H20E H 0.5402 0.9062 0.8602 0.058 Uiso 1 1 calc R . .
H20F H 0.6050 0.9143 0.8443 0.058 Uiso 1 1 calc R . .
C204 C 0.6596(11) 0.8929(8) 0.8864(4) 0.039(5) Uani 1 1 d U . .
H20G H 0.7086 0.8741 0.8848 0.046 Uiso 1 1 calc R . .
H20H H 0.6735 0.9334 0.8920 0.046 Uiso 1 1 calc R . .
C205 C 0.6940(14) 0.8718(10) 0.9349(5) 0.058(7) Uani 1 1 d . . .
H20I H 0.7013 0.9132 0.9396 0.070 Uiso 1 1 calc R . .
H20J H 0.7474 0.8560 0.9356 0.070 Uiso 1 1 calc R . .
C206 C 0.6664(16) 0.8420(10) 0.9559(5) 0.062(7) Uani 1 1 d . . .
H20K H 0.7040 0.8518 0.9751 0.075 Uiso 1 1 calc R . .
H20L H 0.6114 0.8563 0.9541 0.075 Uiso 1 1 calc R . .
C207 C 0.5233(16) 0.6660(10) 0.8239(5) 0.063(7) Uani 1 1 d . . .
H20M H 0.4957 0.6354 0.8309 0.076 Uiso 1 1 calc R . .
H20N H 0.5080 0.6611 0.8032 0.076 Uiso 1 1 calc R . .
C208 C 0.6134(16) 0.6591(10) 0.8374(6) 0.068(8) Uani 1 1 d . . .
H20O H 0.6306 0.6223 0.8313 0.081 Uiso 1 1 calc R . .
H20P H 0.6416 0.6907 0.8314 0.081 Uiso 1 1 calc R . .
C209 C 0.7204(16) 0.6487(10) 0.8809(8) 0.078(9) Uani 1 1 d . . .
H20Q H 0.7526 0.6796 0.8763 0.094 Uiso 1 1 calc R . .
H20R H 0.7348 0.6118 0.8741 0.094 Uiso 1 1 calc R . .
C210 C 0.7396(15) 0.6461(11) 0.9123(8) 0.085(10) Uani 1 1 d . . .
H21A H 0.7036 0.6175 0.9166 0.102 Uiso 1 1 calc R . .
H21B H 0.7969 0.6336 0.9216 0.102 Uiso 1 1 calc R . .
C211 C 0.7489(16) 0.6975(11) 0.9520(6) 0.073(8) Uani 1 1 d . . .
H21C H 0.8050 0.6824 0.9608 0.087 Uiso 1 1 calc R . .
H21D H 0.7111 0.6716 0.9570 0.087 Uiso 1 1 calc R . .
C212 C 0.7440(15) 0.7559(10) 0.9632(5) 0.067(8) Uani 1 1 d . . .
H21E H 0.7627 0.7539 0.9841 0.081 Uiso 1 1 calc R . .
H21F H 0.7819 0.7816 0.9580 0.081 Uiso 1 1 calc R . .
C213 C 0.4070(16) 0.7196(12) 0.8238(5) 0.068(8) Uani 1 1 d U . .
H21G H 0.3819 0.6995 0.8055 0.081 Uiso 1 1 calc R . .
H21H H 0.3848 0.7591 0.8214 0.081 Uiso 1 1 calc R . .
C214 C 0.3808(12) 0.6896(11) 0.8457(5) 0.056(7) Uani 1 1 d . . .
H21I H 0.3205 0.6862 0.8388 0.067 Uiso 1 1 calc R . .
H21J H 0.4042 0.6504 0.8489 0.067 Uiso 1 1 calc R . .
C215 C 0.3830(13) 0.6930(11) 0.8935(5) 0.060(7) Uani 1 1 d . . .
H21K H 0.4095 0.6550 0.8982 0.072 Uiso 1 1 calc R . .
H21L H 0.3230 0.6875 0.8866 0.072 Uiso 1 1 calc R . .
C216 C 0.4089(12) 0.7313(11) 0.9193(6) 0.061(7) Uani 1 1 d . . .
H21M H 0.3856 0.7702 0.9143 0.074 Uiso 1 1 calc R . .
H21N H 0.3893 0.7153 0.9340 0.074 Uiso 1 1 calc R . .
C217 C 0.5243(17) 0.7639(12) 0.9557(5) 0.067(8) Uani 1 1 d . . .
H21O H 0.4980 0.7482 0.9686 0.081 Uiso 1 1 calc R . .
H21P H 0.5097 0.8050 0.9524 0.081 Uiso 1 1 calc R . .
C218 C 0.6128(14) 0.7579(11) 0.9683(5) 0.058(7) Uani 1 1 d . . .
H21Q H 0.6303 0.7768 0.9870 0.070 Uiso 1 1 calc R . .
H21R H 0.6253 0.7165 0.9716 0.070 Uiso 1 1 calc R . .
C301 C 0.1710(16) 0.5795(14) 0.6236(5) 0.076(9) Uani 1 1 d . . .
H30A H 0.1304 0.5488 0.6220 0.092 Uiso 1 1 calc R . .
H30B H 0.1982 0.5709 0.6097 0.092 Uiso 1 1 calc R . .
C302 C 0.127(2) 0.6345(14) 0.6158(7) 0.092(10) Uani 1 1 d . . .
H30C H 0.1668 0.6666 0.6189 0.111 Uiso 1 1 calc R . .
H30D H 0.0918 0.6342 0.5957 0.111 Uiso 1 1 calc R . .
C303 C 0.0208(16) 0.6874(11) 0.6241(6) 0.065(7) Uani 1 1 d . . .
H30E H 0.0496 0.7244 0.6250 0.078 Uiso 1 1 calc R . .
H30F H -0.0153 0.6810 0.6043 0.078 Uiso 1 1 calc R . .
C304 C -0.0270(16) 0.6895(12) 0.6423(5) 0.069(7) Uani 1 1 d . . .
H30G H -0.0681 0.7206 0.6359 0.083 Uiso 1 1 calc R . .
H30H H -0.0565 0.6527 0.6410 0.083 Uiso 1 1 calc R . .
C305 C -0.0242(15) 0.7062(11) 0.6879(5) 0.061(7) Uani 1 1 d . . .
H30I H -0.0565 0.6709 0.6871 0.074 Uiso 1 1 calc R . .
H30J H -0.0627 0.7386 0.6808 0.074 Uiso 1 1 calc R . .
C306 C 0.0301(13) 0.7179(10) 0.7179(5) 0.059(7) Uani 1 1 d . . .
H30K H 0.0624 0.7529 0.7180 0.071 Uiso 1 1 calc R . .
H30L H -0.0049 0.7261 0.7292 0.071 Uiso 1 1 calc R . .
C307 C 0.3024(16) 0.6133(15) 0.6531(6) 0.094(11) Uani 1 1 d U . .
H30M H 0.2829 0.6510 0.6442 0.113 Uiso 1 1 calc R . .
H30N H 0.3329 0.5945 0.6422 0.113 Uiso 1 1 calc R . .
C308 C 0.3611(16) 0.6232(16) 0.6841(7) 0.101(12) Uani 1 1 d . . .
H30O H 0.3772 0.5860 0.6939 0.121 Uiso 1 1 calc R . .
H30P H 0.4111 0.6435 0.6842 0.121 Uiso 1 1 calc R . .
C309 C 0.3717(13) 0.6746(13) 0.7248(5) 0.067(9) Uani 1 1 d . . .
H30Q H 0.4215 0.6925 0.7233 0.081 Uiso 1 1 calc R . .
H30R H 0.3882 0.6412 0.7377 0.081 Uiso 1 1 calc R . .
C310 C 0.3264(13) 0.7164(10) 0.7357(5) 0.058(7) Uani 1 1 d . . .
H31A H 0.3634 0.7343 0.7533 0.070 Uiso 1 1 calc R . .
H31B H 0.3034 0.7471 0.7216 0.070 Uiso 1 1 calc R . .
C311 C 0.2147(14) 0.7258(10) 0.7513(5) 0.061(8) Uani 1 1 d U . .
H31C H 0.1903 0.7558 0.7370 0.073 Uiso 1 1 calc R . .
H31D H 0.2499 0.7449 0.7688 0.073 Uiso 1 1 calc R . .
C312 C 0.1489(15) 0.6933(14) 0.7570(6) 0.083(10) Uani 1 1 d . . .
H31E H 0.1736 0.6604 0.7695 0.100 Uiso 1 1 calc R . .
H31F H 0.1230 0.7185 0.7673 0.100 Uiso 1 1 calc R . .
C313 C 0.2585(14) 0.5204(12) 0.6590(5) 0.061(7) Uani 1 1 d . . .
H31G H 0.3088 0.5216 0.6759 0.073 Uiso 1 1 calc R . .
H31H H 0.2736 0.5040 0.6434 0.073 Uiso 1 1 calc R . .
C314 C 0.1989(19) 0.4800(12) 0.6650(7) 0.090(10) Uani 1 1 d U . .
H31I H 0.1463 0.4802 0.6490 0.108 Uiso 1 1 calc R . .
H31J H 0.2208 0.4404 0.6675 0.108 Uiso 1 1 calc R . .
C315 C 0.129(2) 0.4682(10) 0.6985(8) 0.096(11) Uani 1 1 d . . .
H31K H 0.1447 0.4272 0.7006 0.115 Uiso 1 1 calc R . .
H31L H 0.0749 0.4712 0.6832 0.115 Uiso 1 1 calc R . .
C316 C 0.1211(13) 0.4890(12) 0.7253(7) 0.082(10) Uani 1 1 d . . .
H31M H 0.0825 0.4645 0.7308 0.099 Uiso 1 1 calc R . .
H31N H 0.1749 0.4880 0.7407 0.099 Uiso 1 1 calc R . .
C317 C 0.0850(18) 0.5699(13) 0.7452(6) 0.084(10) Uani 1 1 d . . .
H31O H 0.1403 0.5756 0.7594 0.100 Uiso 1 1 calc R . .
H31P H 0.0548 0.5429 0.7532 0.100 Uiso 1 1 calc R . .
C318 C 0.0400(17) 0.6274(14) 0.7387(6) 0.084(9) Uani 1 1 d . . .
H31Q H -0.0120 0.6221 0.7227 0.101 Uiso 1 1 calc R . .
H31R H 0.0264 0.6396 0.7554 0.101 Uiso 1 1 calc R . .
C401 C 0.4271(15) 0.3675(10) 0.7490(6) 0.069(8) Uani 1 1 d . . .
H40A H 0.4804 0.3786 0.7631 0.083 Uiso 1 1 calc R . .
H40B H 0.4382 0.3469 0.7335 0.083 Uiso 1 1 calc R . .
C402 C 0.3810(17) 0.4205(11) 0.7372(6) 0.073(8) Uani 1 1 d . . .
H40C H 0.4099 0.4428 0.7268 0.088 Uiso 1 1 calc R . .
H40D H 0.3259 0.4108 0.7239 0.088 Uiso 1 1 calc R . .
C403 C 0.3581(14) 0.5128(10) 0.7526(5) 0.054(6) Uani 1 1 d . . .
H40E H 0.3024 0.5174 0.7386 0.065 Uiso 1 1 calc R . .
H40F H 0.3981 0.5284 0.7445 0.065 Uiso 1 1 calc R . .
C404 C 0.3655(14) 0.5427(11) 0.7796(6) 0.061(7) Uani 1 1 d . . .
H40G H 0.4191 0.5341 0.7942 0.073 Uiso 1 1 calc R . .
H40H H 0.3612 0.5847 0.7766 0.073 Uiso 1 1 calc R . .
C405 C 0.3012(15) 0.5542(9) 0.8133(5) 0.057(6) Uani 1 1 d . . .
H40I H 0.2961 0.5959 0.8091 0.068 Uiso 1 1 calc R . .
H40J H 0.3534 0.5478 0.8290 0.068 Uiso 1 1 calc R . .
C406 C 0.2324(14) 0.5353(8) 0.8221(5) 0.046(5) Uani 1 1 d . . .
H40K H 0.2274 0.5618 0.8368 0.056 Uiso 1 1 calc R . .
H40L H 0.1810 0.5374 0.8056 0.056 Uiso 1 1 calc R . .
C407 C 0.4451(14) 0.2853(10) 0.7800(5) 0.058(7) Uani 1 1 d . . .
H40M H 0.4825 0.2741 0.7699 0.070 Uiso 1 1 calc R . .
H40N H 0.4160 0.2505 0.7825 0.070 Uiso 1 1 calc R . .
C408 C 0.4951(16) 0.3096(13) 0.8090(7) 0.085(9) Uani 1 1 d . . .
H40O H 0.5384 0.2821 0.8192 0.102 Uiso 1 1 calc R . .
H40P H 0.5215 0.3460 0.8067 0.102 Uiso 1 1 calc R . .
C409 C 0.4849(14) 0.3334(11) 0.8533(5) 0.063(7) Uani 1 1 d . . .
H40Q H 0.5226 0.3657 0.8543 0.075 Uiso 1 1 calc R . .
H40R H 0.5181 0.2999 0.8628 0.075 Uiso 1 1 calc R . .
C410 C 0.4280(14) 0.3496(8) 0.8686(4) 0.045(6) Uani 1 1 d . . .
H41A H 0.3892 0.3178 0.8672 0.054 Uiso 1 1 calc R . .
H41B H 0.4598 0.3560 0.8889 0.054 Uiso 1 1 calc R . .
C411 C 0.3354(16) 0.4163(9) 0.8733(5) 0.056(6) Uani 1 1 d . . .
H41C H 0.3685 0.4189 0.8936 0.067 Uiso 1 1 calc R . .
H41D H 0.2906 0.3884 0.8709 0.067 Uiso 1 1 calc R . .
C412 C 0.2999(14) 0.4763(9) 0.8615(5) 0.054(6) Uani 1 1 d . . .
H41E H 0.2722 0.4924 0.8740 0.065 Uiso 1 1 calc R . .
H41F H 0.3460 0.5021 0.8626 0.065 Uiso 1 1 calc R . .
C413 C 0.3218(13) 0.2947(9) 0.7418(5) 0.045(5) Uani 1 1 d . . .
H41G H 0.3465 0.2624 0.7348 0.054 Uiso 1 1 calc R . .
H41H H 0.2942 0.3201 0.7256 0.054 Uiso 1 1 calc R . .
C414 C 0.2597(12) 0.2714(8) 0.7535(5) 0.041(5) Uani 1 1 d . . .
H41I H 0.2223 0.2450 0.7395 0.049 Uiso 1 1 calc R . .
H41J H 0.2877 0.2494 0.7709 0.049 Uiso 1 1 calc R . .
C415 C 0.1518(11) 0.2964(8) 0.7689(4) 0.035(5) Uani 1 1 d . . .
H41K H 0.1757 0.2752 0.7869 0.042 Uiso 1 1 calc R . .
H41L H 0.1153 0.2699 0.7547 0.042 Uiso 1 1 calc R . .
C416 C 0.1047(11) 0.3459(8) 0.7730(4) 0.036(5) Uani 1 1 d . . .
H41M H 0.0889 0.3710 0.7561 0.043 Uiso 1 1 calc R . .
H41N H 0.0543 0.3325 0.7759 0.043 Uiso 1 1 calc R . .
C417 C 0.1140(13) 0.4274(10) 0.8032(5) 0.058(7) Uani 1 1 d . . .
H41O H 0.0597 0.4165 0.8038 0.069 Uiso 1 1 calc R . .
H41P H 0.1061 0.4564 0.7882 0.069 Uiso 1 1 calc R . .
C418 C 0.1654(14) 0.4514(10) 0.8309(5) 0.052(6) Uani 1 1 d . . .
H41Q H 0.1330 0.4811 0.8363 0.063 Uiso 1 1 calc R . .
H41R H 0.1759 0.4202 0.8451 0.063 Uiso 1 1 calc R . .
C501 C 0.1464(19) 0.6481(10) 0.9526(5) 0.072(8) Uani 1 1 d . . .
H50A H 0.0899 0.6353 0.9495 0.087 Uiso 1 1 calc R . .
H50B H 0.1814 0.6361 0.9718 0.087 Uiso 1 1 calc R . .
C502 C 0.1768(18) 0.6206(10) 0.9309(5) 0.074(8) Uani 1 1 d . . .
H50C H 0.2296 0.6379 0.9320 0.088 Uiso 1 1 calc R . .
H50D H 0.1855 0.5790 0.9348 0.088 Uiso 1 1 calc R . .
C503 C 0.1387(16) 0.6015(10) 0.8817(5) 0.062(7) Uani 1 1 d . . .
H50E H 0.1487 0.5602 0.8864 0.074 Uiso 1 1 calc R . .
H50F H 0.1895 0.6186 0.8806 0.074 Uiso 1 1 calc R . .
C504 C 0.0724(16) 0.6083(8) 0.8550(5) 0.063(7) Uani 1 1 d . . .
H50G H 0.0820 0.5833 0.8405 0.075 Uiso 1 1 calc R . .
H50H H 0.0203 0.5965 0.8571 0.075 Uiso 1 1 calc R . .
C505 C 0.0055(16) 0.6760(11) 0.8193(5) 0.070(8) Uani 1 1 d . . .
H50I H -0.0491 0.6710 0.8209 0.084 Uiso 1 1 calc R . .
H50J H 0.0111 0.6476 0.8055 0.084 Uiso 1 1 calc R . .
C506 C 0.0128(15) 0.7338(9) 0.8095(4) 0.054(6) Uani 1 1 d . . .
H50K H -0.0256 0.7378 0.7898 0.065 Uiso 1 1 calc R . .
H50L H 0.0688 0.7390 0.8092 0.065 Uiso 1 1 calc R . .
C507 C 0.2330(15) 0.7321(13) 0.9611(5) 0.070(8) Uani 1 1 d . . .
H50M H 0.2530 0.7298 0.9820 0.084 Uiso 1 1 calc R . .
H50N H 0.2671 0.7059 0.9544 0.084 Uiso 1 1 calc R . .
C508 C 0.2461(16) 0.7901(11) 0.9532(5) 0.066(7) Uani 1 1 d U . .
H50O H 0.3037 0.8014 0.9628 0.079 Uiso 1 1 calc R . .
H50P H 0.2108 0.8172 0.9588 0.079 Uiso 1 1 calc R . .
C509 C 0.2411(13) 0.8443(12) 0.9137(6) 0.065(8) Uani 1 1 d . . .
H50Q H 0.2984 0.8553 0.9243 0.078 Uiso 1 1 calc R . .
H50R H 0.2049 0.8730 0.9179 0.078 Uiso 1 1 calc R . .
C510 C 0.2269(15) 0.8444(11) 0.8824(7) 0.075(8) Uani 1 1 d . . .
H51A H 0.2456 0.8813 0.8770 0.090 Uiso 1 1 calc R . .
H51B H 0.2583 0.8130 0.8778 0.090 Uiso 1 1 calc R . .
C511 C 0.1226(14) 0.8370(11) 0.8368(6) 0.060(7) Uani 1 1 d . . .
H51C H 0.1480 0.8032 0.8312 0.072 Uiso 1 1 calc R . .
H51D H 0.1450 0.8720 0.8312 0.072 Uiso 1 1 calc R . .
C512 C 0.0332(16) 0.8352(9) 0.8223(5) 0.059(7) Uani 1 1 d . . .
H51E H 0.0209 0.8404 0.8018 0.071 Uiso 1 1 calc R . .
H51F H 0.0081 0.8675 0.8291 0.071 Uiso 1 1 calc R . .
C513 C 0.0995(17) 0.7388(11) 0.9663(5) 0.070(8) Uani 1 1 d . . .
H51G H 0.1172 0.7793 0.9700 0.084 Uiso 1 1 calc R . .
H51H H 0.1126 0.7194 0.9848 0.084 Uiso 1 1 calc R . .
C514 C 0.0083(16) 0.7376(12) 0.9515(5) 0.073(9) Uani 1 1 d . . .
H51I H -0.0110 0.6974 0.9479 0.088 Uiso 1 1 calc R . .
H51J H -0.0193 0.7560 0.9634 0.088 Uiso 1 1 calc R . .
C515 C -0.0947(15) 0.7784(14) 0.9143(5) 0.077(9) Uani 1 1 d . . .
H51K H -0.1131 0.7970 0.9288 0.092 Uiso 1 1 calc R . .
H51L H -0.1248 0.7418 0.9088 0.092 Uiso 1 1 calc R . .
C516 C -0.1134(15) 0.8170(13) 0.8888(5) 0.070(8) Uani 1 1 d . . .
H51M H -0.1721 0.8273 0.8816 0.084 Uiso 1 1 calc R . .
H51N H -0.0810 0.8528 0.8938 0.084 Uiso 1 1 calc R . .
C517 C -0.1159(14) 0.8178(9) 0.8423(4) 0.049(6) Uani 1 1 d . . .
H51O H -0.0881 0.8556 0.8457 0.058 Uiso 1 1 calc R . .
H51P H -0.1756 0.8245 0.8354 0.058 Uiso 1 1 calc R . .
C518 C -0.0931(14) 0.7854(8) 0.8207(5) 0.054(7) Uani 1 1 d . . .
H51Q H -0.1167 0.7464 0.8190 0.065 Uiso 1 1 calc R . .
H51R H -0.1177 0.8047 0.8022 0.065 Uiso 1 1 calc R . .
C601 C -0.0435(15) 0.9594(12) 0.5982(8) 0.099(12) Uani 1 1 d U . .
H60A H -0.0803 0.9787 0.6066 0.119 Uiso 1 1 calc R . .
H60B H -0.0747 0.9542 0.5778 0.119 Uiso 1 1 calc R . .
C602 C 0.0291(18) 1.0009(14) 0.6010(9) 0.118(13) Uani 1 1 d U . .
H60C H 0.0084 1.0392 0.5933 0.142 Uiso 1 1 calc R . .
H60D H 0.0640 1.0053 0.6211 0.142 Uiso 1 1 calc R . .
C603 C 0.143(2) 1.0064(11) 0.5868(9) 0.103(11) Uani 1 1 d U . .
H60E H 0.1810 1.0065 0.6066 0.124 Uiso 1 1 calc R . .
H60F H 0.1269 1.0465 0.5811 0.124 Uiso 1 1 calc R . .
C604 C 0.1865(18) 0.9814(10) 0.5677(7) 0.082(8) Uani 1 1 d U . .
H60G H 0.1478 0.9792 0.5480 0.099 Uiso 1 1 calc R . .
H60H H 0.2324 1.0067 0.5680 0.099 Uiso 1 1 calc R . .
C605 C 0.2539(15) 0.9000(15) 0.5607(6) 0.082(9) Uani 1 1 d . . .
H60I H 0.2944 0.9272 0.5580 0.098 Uiso 1 1 calc R . .
H60J H 0.2125 0.8920 0.5419 0.098 Uiso 1 1 calc R . .
C606 C 0.2961(17) 0.8453(13) 0.5733(6) 0.077(8) Uani 1 1 d . . .
H60K H 0.3267 0.8306 0.5614 0.092 Uiso 1 1 calc R . .
H60L H 0.3359 0.8533 0.5923 0.092 Uiso 1 1 calc R . .
C607 C -0.1050(19) 0.8693(18) 0.5988(10) 0.136(16) Uani 1 1 d . . .
H60M H -0.0976 0.8313 0.6081 0.163 Uiso 1 1 calc R . .
H60N H -0.1496 0.8896 0.6028 0.163 Uiso 1 1 calc R . .
C608 C -0.127(3) 0.862(2) 0.5674(10) 0.176(18) Uani 1 1 d DU . .
H60O H -0.1199 0.8974 0.5580 0.211 Uiso 1 1 calc R . .
H60P H -0.1843 0.8477 0.5585 0.211 Uiso 1 1 calc R . .
C609 C -0.087(3) 0.8020(19) 0.5362(9) 0.165(17) Uani 1 1 d DU . .
H60Q H -0.1442 0.7880 0.5277 0.198 Uiso 1 1 calc R . .
H60R H -0.0778 0.8348 0.5253 0.198 Uiso 1 1 calc R . .
C610 C -0.028(2) 0.7574(15) 0.5403(8) 0.129(11) Uani 1 1 d DU . .
H61A H -0.0445 0.7304 0.5241 0.155 Uiso 1 1 calc R . .
H61B H -0.0216 0.7357 0.5579 0.155 Uiso 1 1 calc R . .
C611 C 0.111(2) 0.7484(13) 0.5434(6) 0.083(9) Uani 1 1 d . . .
H61C H 0.0916 0.7258 0.5257 0.099 Uiso 1 1 calc R . .
H61D H 0.1167 0.7219 0.5593 0.099 Uiso 1 1 calc R . .
C612 C 0.196(2) 0.7739(13) 0.5469(6) 0.092(10) Uani 1 1 d . . .
H61E H 0.2314 0.7431 0.5438 0.110 Uiso 1 1 calc R . .
H61F H 0.1898 0.8035 0.5322 0.110 Uiso 1 1 calc R . .
C613 C 0.0015(15) 0.9016(13) 0.6406(6) 0.073(8) Uani 1 1 d . . .
H61G H -0.0470 0.9053 0.6464 0.087 Uiso 1 1 calc R . .
H61H H 0.0371 0.9351 0.6483 0.087 Uiso 1 1 calc R . .
C614 C 0.0458(14) 0.8496(13) 0.6535(7) 0.094(11) Uani 1 1 d U . .
H61I H 0.0607 0.8528 0.6742 0.112 Uiso 1 1 calc R . .
H61J H 0.0084 0.8165 0.6472 0.112 Uiso 1 1 calc R . .
C615 C 0.1729(13) 0.8024(9) 0.6655(5) 0.047(6) Uani 1 1 d . . .
H61K H 0.1511 0.7628 0.6637 0.056 Uiso 1 1 calc R . .
H61L H 0.1851 0.8147 0.6854 0.056 Uiso 1 1 calc R . .
C616 C 0.2475(15) 0.8022(11) 0.6594(5) 0.059(7) Uani 1 1 d . . .
H61M H 0.2886 0.7775 0.6731 0.071 Uiso 1 1 calc R . .
H61N H 0.2699 0.8416 0.6609 0.071 Uiso 1 1 calc R . .
C617 C 0.3025(14) 0.7762(12) 0.6246(6) 0.064(7) Uani 1 1 d . . .
H61O H 0.3405 0.7481 0.6372 0.077 Uiso 1 1 calc R . .
H61P H 0.3303 0.8139 0.6268 0.077 Uiso 1 1 calc R . .
C618 C 0.277(2) 0.7570(10) 0.5949(6) 0.084(10) Uani 1 1 d . . .
H61Q H 0.3250 0.7432 0.5908 0.101 Uiso 1 1 calc R . .
H61R H 0.2384 0.7243 0.5923 0.101 Uiso 1 1 calc R . .
N1E N 0.3604(13) 0.9409(9) 0.6408(5) 0.072(6) Uani 1 1 d . . .
H1E1 H 0.3099 0.9290 0.6296 0.108 Uiso 0.67 1 calc PR . .
H1E2 H 0.3578 0.9550 0.6573 0.108 Uiso 0.67 1 calc PR . .
H1E3 H 0.3958 0.9108 0.6445 0.108 Uiso 0.67 1 calc PR . .
C1E C 0.3896(18) 0.9871(11) 0.6259(7) 0.090(10) Uani 1 1 d . . .
H1E4 H 0.3891 0.9718 0.6075 0.108 Uiso 1 1 calc R . .
H1E5 H 0.3502 1.0194 0.6218 0.108 Uiso 1 1 calc R . .
C2E C 0.4656(17) 1.0081(13) 0.6402(7) 0.088(10) Uani 1 1 d . . .
H2E1 H 0.5051 0.9761 0.6434 0.106 Uiso 1 1 calc R . .
H2E2 H 0.4667 1.0215 0.6589 0.106 Uiso 1 1 calc R . .
N2E N 0.4940(14) 1.0556(8) 0.6264(4) 0.066(6) Uani 1 1 d . . .
H2E3 H 0.5446 1.0671 0.6378 0.099 Uiso 0.67 1 calc PR . .
H2E4 H 0.4586 1.0856 0.6234 0.099 Uiso 0.67 1 calc PR . .
H2E5 H 0.4963 1.0434 0.6096 0.099 Uiso 0.67 1 calc PR . .
N1S N 0.0301(12) 0.9477(9) 0.8742(4) 0.068(6) Uani 1 1 d . . .
H1S1 H 0.0400 0.9093 0.8747 0.101 Uiso 0.67 1 calc PR . .
H1S2 H -0.0187 0.9553 0.8604 0.101 Uiso 0.67 1 calc PR . .
H1S3 H 0.0283 0.9593 0.8912 0.101 Uiso 0.67 1 calc PR . .
C1S C 0.095(3) 0.9784(11) 0.8681(7) 0.117(14) Uani 1 1 d D . .
H1S4 H 0.1464 0.9739 0.8845 0.140 Uiso 1 1 calc R . .
H1S5 H 0.1037 0.9600 0.8516 0.140 Uiso 1 1 calc R . .
C2S C 0.081(2) 1.0382(12) 0.8623(7) 0.106(11) Uani 1 1 d D . .
H2S1 H 0.0663 1.0557 0.8778 0.128 Uiso 1 1 calc R . .
H2S2 H 0.0331 1.0425 0.8447 0.128 Uiso 1 1 calc R . .
N2S N 0.1485(14) 1.0702(8) 0.8592(5) 0.077(7) Uani 1 1 d . . .
H2S3 H 0.1366 1.1083 0.8580 0.115 Uiso 0.67 1 calc PR . .
H2S4 H 0.1571 1.0587 0.8432 0.115 Uiso 0.67 1 calc PR . .
H2S5 H 0.1943 1.0637 0.8745 0.115 Uiso 0.67 1 calc PR . .
N1Y N 0.453(10) -0.063(2) 1.004(2) 0.36(11) Uani 0.50 1 d PD C -1
H1YA H 0.4263 -0.0791 0.9865 0.539 Uiso 0.33 1 calc PR C -1
H1YB H 0.4179 -0.0578 1.0131 0.539 Uiso 0.33 1 calc PR C -1
H1YC H 0.4942 -0.0871 1.0138 0.539 Uiso 0.33 1 calc PR C -1
C1Y C 0.488(5) -0.009(2) 1.000(2) 0.10(2) Uani 0.50 1 d PDU C -1
H1YD H 0.4720 -0.0012 0.9793 0.121 Uiso 0.50 1 calc PR C -1
H1YE H 0.5479 -0.0116 1.0077 0.121 Uiso 0.50 1 calc PR C -1
C2Y C 0.463(4) 0.040(2) 1.0128(14) 0.11(2) Uani 0.50 1 d PDU C -1
H2YD H 0.4028 0.0399 1.0073 0.135 Uiso 0.50 1 calc PR C -1
H2YE H 0.4862 0.0359 1.0336 0.135 Uiso 0.50 1 calc PR C -1
N2Y N 0.487(4) 0.096(2) 1.0056(13) 0.14(3) Uani 0.50 1 d PD C -1
H2YA H 0.5392 0.1036 1.0169 0.213 Uiso 0.33 1 calc PR C -1
H2YB H 0.4529 0.1233 1.0082 0.213 Uiso 0.33 1 calc PR C -1
H2YC H 0.4838 0.0959 0.9872 0.213 Uiso 0.33 1 calc PR C -1
N1R N 0.016(4) 1.0159(19) 0.4986(17) 0.14(2) Uani 0.50 1 d PDU D -1
H1R1 H 0.0399 1.0464 0.4932 0.209 Uiso 0.33 1 calc PR D -1
H1R2 H 0.0364 1.0123 0.5177 0.209 Uiso 0.33 1 calc PR D -1
H1R3 H -0.0390 1.0214 0.4928 0.209 Uiso 0.33 1 calc PR D -1
C1R C 0.033(5) 0.964(2) 0.4855(16) 0.15(3) Uani 0.50 1 d PDU D -1
H1R4 H 0.0931 0.9572 0.4922 0.177 Uiso 0.50 1 calc PR D -1
H1R5 H 0.0141 0.9686 0.4648 0.177 Uiso 0.50 1 calc PR D -1
C2R C -0.006(6) 0.9128(19) 0.4923(19) 0.14(3) Uani 0.50 1 d PDU D -1
H2R1 H -0.0493 0.8989 0.4749 0.174 Uiso 0.50 1 calc PR D -1
H2R2 H 0.0345 0.8818 0.4993 0.174 Uiso 0.50 1 calc PR D -1
N2R N -0.043(7) 0.925(3) 0.514(2) 0.25(4) Uani 0.50 1 d PDU D -1
H2R3 H -0.0661 0.8928 0.5176 0.376 Uiso 0.33 1 calc PR D -1
H2R4 H -0.0823 0.9527 0.5070 0.376 Uiso 0.33 1 calc PR D -1
H2R5 H -0.0039 0.9382 0.5297 0.376 Uiso 0.33 1 calc PR D -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -3.3944 10.1111 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Pb9 Mn1 Pb11 113.87(12) . .
Pb9 Mn1 Pb10 65.92(9) . .
Pb11 Mn1 Pb10 179.44(16) . .
Pb9 Mn1 Pb12 179.47(17) . .
Pb11 Mn1 Pb12 65.63(8) . .
Pb10 Mn1 Pb12 114.58(12) . .
Pb9 Mn1 Pb6 116.29(13) . .
Pb11 Mn1 Pb6 116.16(12) . .
Pb10 Mn1 Pb6 64.34(9) . .
Pb12 Mn1 Pb6 64.21(8) . .
Pb9 Mn1 Pb7 64.39(8) . .
Pb11 Mn1 Pb7 64.43(9) . .
Pb10 Mn1 Pb7 115.07(12) . .
Pb12 Mn1 Pb7 115.12(12) . .
Pb6 Mn1 Pb7 178.27(14) . .
Pb9 Mn1 Pb5 63.82(8) . .
Pb11 Mn1 Pb5 64.52(8) . .
Pb10 Mn1 Pb5 115.67(11) . .
Pb12 Mn1 Pb5 115.92(12) . .
Pb6 Mn1 Pb5 107.08(11) . .
Pb7 Mn1 Pb5 74.65(9) . .
Pb9 Mn1 Pb8 116.79(12) . .
Pb11 Mn1 Pb8 115.47(11) . .
Pb10 Mn1 Pb8 64.35(8) . .
Pb12 Mn1 Pb8 63.47(8) . .
Pb6 Mn1 Pb8 72.09(9) . .
Pb7 Mn1 Pb8 106.18(11) . .
Pb5 Mn1 Pb8 179.10(15) . .
Pb9 Mn1 Pb1 66.15(8) . .
Pb11 Mn1 Pb1 114.07(11) . .
Pb10 Mn1 Pb1 66.36(9) . .
Pb12 Mn1 Pb1 114.17(12) . .
Pb6 Mn1 Pb1 58.99(8) . .
Pb7 Mn1 Pb1 122.45(10) . .
Pb5 Mn1 Pb1 58.19(7) . .
Pb8 Mn1 Pb1 121.31(12) . .
Pb9 Mn1 Pb2 113.50(11) . .
Pb11 Mn1 Pb2 66.30(8) . .
Pb10 Mn1 Pb2 114.25(13) . .
Pb12 Mn1 Pb2 66.53(8) . .
Pb6 Mn1 Pb2 59.10(9) . .
Pb7 Mn1 Pb2 122.31(12) . .
Pb5 Mn1 Pb2 58.13(7) . .
Pb8 Mn1 Pb2 120.99(11) . .
Pb1 Mn1 Pb2 57.52(7) . .
Pb9 Mn1 Pb3 67.68(9) . .
Pb11 Mn1 Pb3 113.58(12) . .
Pb10 Mn1 Pb3 65.87(9) . .
Pb12 Mn1 Pb3 112.30(11) . .
Pb6 Mn1 Pb3 120.31(12) . .
Pb7 Mn1 Pb3 58.26(8) . .
Pb5 Mn1 Pb3 122.98(12) . .
Pb8 Mn1 Pb3 57.90(8) . .
Pb1 Mn1 Pb3 123.27(11) . .
Pb2 Mn1 Pb3 178.80(12) . .
Pb9 Mn1 Pb4 114.25(12) . .
Pb11 Mn1 Pb4 66.59(8) . .
Pb10 Mn1 Pb4 112.98(11) . .
Pb12 Mn1 Pb4 65.45(8) . .
Pb6 Mn1 Pb4 120.23(10) . .
Pb7 Mn1 Pb4 58.32(7) . .
Pb5 Mn1 Pb4 122.69(12) . .
Pb8 Mn1 Pb4 57.81(7) . .
Pb1 Mn1 Pb4 179.10(13) . .
Pb2 Mn1 Pb4 122.64(11) . .
Pb3 Mn1 Pb4 56.55(7) . .
Pb5 Pb1 Pb6 105.73(7) . .
Pb5 Pb1 Pb2 59.45(6) . .
Pb6 Pb1 Pb2 59.94(6) . .
Pb5 Pb1 Mn1 58.11(8) . .
Pb6 Pb1 Mn1 57.44(7) . .
Pb2 Pb1 Mn1 61.26(8) . .
Pb5 Pb1 Pb9 58.31(6) . .
Pb6 Pb1 Pb9 102.00(7) . .
Pb2 Pb1 Pb9 104.11(7) . .
Mn1 Pb1 Pb9 51.17(7) . .
Pb5 Pb1 Pb10 102.64(8) . .
Pb6 Pb1 Pb10 58.26(5) . .
Pb2 Pb1 Pb10 104.73(6) . .
Mn1 Pb1 Pb10 51.34(7) . .
Pb9 Pb1 Pb10 55.24(5) . .
Pb5 Pb2 Pb6 105.63(6) . .
Pb5 Pb2 Pb1 59.51(6) . .
Pb6 Pb2 Pb1 59.75(5) . .
Pb5 Pb2 Mn1 58.12(7) . .
Pb6 Pb2 Mn1 57.37(8) . .
Pb1 Pb2 Mn1 61.21(8) . .
Pb5 Pb2 Pb11 58.90(5) . .
Pb6 Pb2 Pb11 101.70(6) . .
Pb1 Pb2 Pb11 104.46(7) . .
Mn1 Pb2 Pb11 51.20(7) . .
Pb5 Pb2 Pb12 102.76(6) . .
Pb6 Pb2 Pb12 58.03(5) . .
Pb1 Pb2 Pb12 104.49(7) . .
Mn1 Pb2 Pb12 51.33(6) . .
Pb11 Pb2 Pb12 54.93(4) . .
Pb8 Pb3 Pb7 105.65(7) . .
Pb8 Pb3 Pb4 59.80(5) . .
Pb7 Pb3 Pb4 60.01(5) . .
Pb8 Pb3 Mn1 58.07(7) . .
Pb7 Pb3 Mn1 57.44(8) . .
Pb4 Pb3 Mn1 61.92(7) . .
Pb8 Pb3 Pb10 58.95(5) . .
Pb7 Pb3 Pb10 101.75(7) . .
Pb4 Pb3 Pb10 105.15(6) . .
Mn1 Pb3 Pb10 51.22(7) . .
Pb8 Pb3 Pb9 101.86(6) . .
Pb7 Pb3 Pb9 57.62(5) . .
Pb4 Pb3 Pb9 104.13(7) . .
Mn1 Pb3 Pb9 50.26(7) . .
Pb10 Pb3 Pb9 54.56(5) . .
Pb8 Pb4 Pb7 105.38(6) . .
Pb8 Pb4 Pb3 59.74(5) . .
Pb7 Pb4 Pb3 59.71(6) . .
Pb8 Pb4 Mn1 57.93(7) . .
Pb7 Pb4 Mn1 57.23(7) . .
Pb3 Pb4 Mn1 61.53(7) . .
Pb8 Pb4 Pb12 58.29(5) . .
Pb7 Pb4 Pb12 101.92(5) . .
Pb3 Pb4 Pb12 104.60(6) . .
Mn1 Pb4 Pb12 51.30(7) . .
Pb8 Pb4 Pb11 101.81(5) . .
Pb7 Pb4 Pb11 58.07(5) . .
Pb3 Pb4 Pb11 104.31(5) . .
Mn1 Pb4 Pb11 50.64(7) . .
Pb12 Pb4 Pb11 54.86(4) . .
Mn1 Pb5 Pb2 63.75(8) . .
Mn1 Pb5 Pb1 63.69(8) . .
Pb2 Pb5 Pb1 61.04(6) . .
Mn1 Pb5 Pb9 54.54(7) . .
Pb2 Pb5 Pb9 110.42(6) . .
Pb1 Pb5 Pb9 65.06(6) . .
Mn1 Pb5 Pb11 54.36(7) . .
Pb2 Pb5 Pb11 64.92(5) . .
Pb1 Pb5 Pb11 110.15(6) . .
Pb9 Pb5 Pb11 98.49(6) . .
Mn1 Pb5 Pb7 52.47(8) . .
Pb2 Pb5 Pb7 108.43(6) . .
Pb1 Pb5 Pb7 108.46(7) . .
Pb9 Pb5 Pb7 53.92(6) . .
Pb11 Pb5 Pb7 53.83(5) . .
Mn1 Pb6 Pb1 63.57(8) . .
Mn1 Pb6 Pb2 63.53(8) . .
Pb1 Pb6 Pb2 60.31(6) . .
Mn1 Pb6 Pb12 55.01(7) . .
Pb1 Pb6 Pb12 110.30(8) . .
Pb2 Pb6 Pb12 65.06(6) . .
Mn1 Pb6 Pb10 54.87(8) . .
Pb1 Pb6 Pb10 64.87(6) . .
Pb2 Pb6 Pb10 110.06(6) . .
Pb12 Pb6 Pb10 99.73(7) . .
Mn1 Pb6 Pb8 54.36(8) . .
Pb1 Pb6 Pb8 110.22(7) . .
Pb2 Pb6 Pb8 109.87(7) . .
Pb12 Pb6 Pb8 54.74(5) . .
Pb10 Pb6 Pb8 55.42(5) . .
Mn1 Pb7 Pb3 64.30(8) . .
Mn1 Pb7 Pb4 64.46(7) . .
Pb3 Pb7 Pb4 60.28(5) . .
Mn1 Pb7 Pb9 54.54(7) . .
Pb3 Pb7 Pb9 66.59(6) . .
Pb4 Pb7 Pb9 111.14(7) . .
Mn1 Pb7 Pb11 54.64(7) . .
Pb3 Pb7 Pb11 110.47(6) . .
Pb4 Pb7 Pb11 65.60(5) . .
Pb9 Pb7 Pb11 98.46(6) . .
Mn1 Pb7 Pb5 52.88(7) . .
Pb3 Pb7 Pb5 109.71(7) . .
Pb4 Pb7 Pb5 109.58(6) . .
Pb9 Pb7 Pb5 53.55(5) . .
Pb11 Pb7 Pb5 54.16(4) . .
Pb3 Pb8 Pb4 60.46(6) . .
Pb3 Pb8 Mn1 64.03(8) . .
Pb4 Pb8 Mn1 64.27(8) . .
Pb3 Pb8 Pb12 110.26(7) . .
Pb4 Pb8 Pb12 65.00(5) . .
Mn1 Pb8 Pb12 54.86(7) . .
Pb3 Pb8 Pb10 64.78(5) . .
Pb4 Pb8 Pb10 110.10(6) . .
Mn1 Pb8 Pb10 54.40(8) . .
Pb12 Pb8 Pb10 99.63(6) . .
Pb3 Pb8 Pb6 109.83(6) . .
Pb4 Pb8 Pb6 110.03(7) . .
Mn1 Pb8 Pb6 53.55(8) . .
Pb12 Pb8 Pb6 55.11(5) . .
Pb10 Pb8 Pb6 54.93(5) . .
Mn1 Pb9 Pb10 57.30(8) . .
Mn1 Pb9 Pb5 61.64(8) . .
Pb10 Pb9 Pb5 107.31(6) . .
Mn1 Pb9 Pb7 61.07(8) . .
Pb10 Pb9 Pb7 105.99(6) . .
Pb5 Pb9 Pb7 72.53(7) . .
Mn1 Pb9 Pb1 62.68(8) . .
Pb10 Pb9 Pb1 62.67(6) . .
Pb5 Pb9 Pb1 56.62(6) . .
Pb7 Pb9 Pb1 116.67(6) . .
Mn1 Pb9 Pb3 62.06(8) . .
Pb10 Pb9 Pb3 61.54(6) . .
Pb5 Pb9 Pb3 116.36(6) . .
Pb7 Pb9 Pb3 55.80(6) . .
Pb1 Pb9 Pb3 115.87(5) . .
Mn1 Pb10 Pb9 56.78(8) . .
Mn1 Pb10 Pb6 60.79(9) . .
Pb9 Pb10 Pb6 106.40(7) . .
Mn1 Pb10 Pb8 61.25(8) . .
Pb9 Pb10 Pb8 107.19(7) . .
Pb6 Pb10 Pb8 69.64(5) . .
Mn1 Pb10 Pb3 62.91(9) . .
Pb9 Pb10 Pb3 63.90(6) . .
Pb6 Pb10 Pb3 114.95(7) . .
Pb8 Pb10 Pb3 56.26(5) . .
Mn1 Pb10 Pb1 62.30(8) . .
Pb9 Pb10 Pb1 62.10(6) . .
Pb6 Pb10 Pb1 56.87(5) . .
Pb8 Pb10 Pb1 115.33(7) . .
Pb3 Pb10 Pb1 117.39(7) . .
Mn1 Pb11 Pb12 57.41(7) . .
Mn1 Pb11 Pb7 60.94(8) . .
Pb12 Pb11 Pb7 106.18(6) . .
Mn1 Pb11 Pb5 61.13(7) . .
Pb12 Pb11 Pb5 106.95(6) . .
Pb7 Pb11 Pb5 72.01(6) . .
Mn1 Pb11 Pb2 62.50(8) . .
Pb12 Pb11 Pb2 62.81(5) . .
Pb7 Pb11 Pb2 116.12(6) . .
Pb5 Pb11 Pb2 56.18(5) . .
Mn1 Pb11 Pb4 62.77(7) . .
Pb12 Pb11 Pb4 61.84(5) . .
Pb7 Pb11 Pb4 56.33(4) . .
Pb5 Pb11 Pb4 116.58(5) . .
Pb2 Pb11 Pb4 116.42(5) . .
Mn1 Pb12 Pb11 56.96(8) . .
Mn1 Pb12 Pb8 61.67(8) . .
Pb11 Pb12 Pb8 107.31(6) . .
Mn1 Pb12 Pb6 60.78(8) . .
Pb11 Pb12 Pb6 106.70(5) . .
Pb8 Pb12 Pb6 70.15(6) . .
Mn1 Pb12 Pb4 63.26(8) . .
Pb11 Pb12 Pb4 63.29(5) . .
Pb8 Pb12 Pb4 56.71(5) . .
Pb6 Pb12 Pb4 115.56(6) . .
Mn1 Pb12 Pb2 62.15(8) . .
Pb11 Pb12 Pb2 62.26(5) . .
Pb8 Pb12 Pb2 115.80(6) . .
Pb6 Pb12 Pb2 56.91(5) . .
Pb4 Pb12 Pb2 117.18(5) . .
Pb1B Mn1A Pb9A 67.1(11) . .
Pb1B Mn1A Pb3B 112.5(14) . .
Pb9A Mn1A Pb3B 174.2(18) . .
Pb1B Mn1A Pb2B 172.1(18) . .
Pb9A Mn1A Pb2B 116.4(14) . .
Pb3B Mn1A Pb2B 63.3(10) . .
Pb1B Mn1A Pb8A 66.6(11) . .
Pb9A Mn1A Pb8A 121.4(16) . .
Pb3B Mn1A Pb8A 62.2(9) . .
Pb2B Mn1A Pb8A 114.4(13) . .
Pb1B Mn1A Pb7A 123.4(16) . .
Pb9A Mn1A Pb7A 67.9(11) . .
Pb3B Mn1A Pb7A 115.6(16) . .
Pb2B Mn1A Pb7A 63.9(11) . .
Pb8A Mn1A Pb7A 113.2(15) . .
Pb1B Mn1A Pb3A 70.6(13) . .
Pb9A Mn1A Pb3A 69.0(12) . .
Pb3B Mn1A Pb3A 116.6(13) . .
Pb2B Mn1A Pb3A 117.1(16) . .
Pb8A Mn1A Pb3A 63.2(10) . .
Pb7A Mn1A Pb3A 62.5(12) . .
Pb1B Mn1A Pb4A 119.4(15) . .
Pb9A Mn1A Pb4A 120.2(15) . .
Pb3B Mn1A Pb4A 65.3(9) . .
Pb2B Mn1A Pb4A 65.8(11) . .
Pb8A Mn1A Pb4A 60.2(10) . .
Pb7A Mn1A Pb4A 61.2(10) . .
Pb3A Mn1A Pb4A 61.1(11) . .
Pb1B Mn1A Pb5A 114.3(13) . .
Pb9A Mn1A Pb5A 60.7(9) . .
Pb3B Mn1A Pb5A 115.6(15) . .
Pb2B Mn1A Pb5A 64.4(9) . .
Pb8A Mn1A Pb5A 177.6(18) . .
Pb7A Mn1A Pb5A 68.4(11) . .
Pb3A Mn1A Pb5A 119.2(14) . .
Pb4A Mn1A Pb5A 120.1(15) . .
Pb1B Mn1A Pb6A 65.5(11) . .
Pb9A Mn1A Pb6A 114.5(15) . .
Pb3B Mn1A Pb6A 61.1(10) . .
Pb2B Mn1A Pb6A 106.9(14) . .
Pb8A Mn1A Pb6A 75.0(12) . .
Pb7A Mn1A Pb6A 169.3(17) . .
Pb3A Mn1A Pb6A 128.2(15) . .
Pb4A Mn1A Pb6A 121.4(12) . .
Pb5A Mn1A Pb6A 103.2(13) . .
Pb1B Mn1A Pb1A 64.4(11) . .
Pb9A Mn1A Pb1A 64.5(10) . .
Pb3B Mn1A Pb1A 109.9(14) . .
Pb2B Mn1A Pb1A 110.1(13) . .
Pb8A Mn1A Pb1A 120.6(15) . .
Pb7A Mn1A Pb1A 120.9(12) . .
Pb3A Mn1A Pb1A 124.3(15) . .
Pb4A Mn1A Pb1A 174.6(16) . .
Pb5A Mn1A Pb1A 58.8(8) . .
Pb6A Mn1A Pb1A 55.5(9) . .
Pb1B Mn1A Pb2A 108.7(15) . .
Pb9A Mn1A Pb2A 110.1(12) . .
Pb3B Mn1A Pb2A 64.3(10) . .
Pb2B Mn1A Pb2A 63.6(10) . .
Pb8A Mn1A Pb2A 117.3(13) . .
Pb7A Mn1A Pb2A 117.8(14) . .
Pb3A Mn1A Pb2A 179.0(16) . .
Pb4A Mn1A Pb2A 119.9(14) . .
Pb5A Mn1A Pb2A 60.4(9) . .
Pb6A Mn1A Pb2A 51.6(9) . .
Pb1A Mn1A Pb2A 54.7(9) . .
Pb6A Pb1A Pb2A 55.5(7) . .
Pb6A Pb1A Pb5A 104.8(9) . .
Pb2A Pb1A Pb5A 62.6(8) . .
Pb6A Pb1A Pb1B 61.4(7) . .
Pb2A Pb1A Pb1B 102.6(8) . .
Pb5A Pb1A Pb1B 98.8(9) . .
Pb6A Pb1A Pb9A 105.2(9) . .
Pb2A Pb1A Pb9A 104.7(10) . .
Pb5A Pb1A Pb9A 54.8(7) . .
Pb1B Pb1A Pb9A 55.4(6) . .
Pb6A Pb1A Mn1A 59.8(9) . .
Pb2A Pb1A Mn1A 62.8(10) . .
Pb5A Pb1A Mn1A 56.5(8) . .
Pb1B Pb1A Mn1A 48.8(9) . .
Pb9A Pb1A Mn1A 49.9(9) . .
Pb6A Pb2A Pb1A 61.7(7) . .
Pb6A Pb2A Pb5A 107.5(9) . .
Pb1A Pb2A Pb5A 60.0(7) . .
Pb6A Pb2A Pb2B 105.1(9) . .
Pb1A Pb2A Pb2B 106.5(9) . .
Pb5A Pb2A Pb2B 58.2(6) . .
Pb6A Pb2A Mn1A 61.4(9) . .
Pb1A Pb2A Mn1A 62.5(9) . .
Pb5A Pb2A Mn1A 55.6(7) . .
Pb2B Pb2A Mn1A 51.8(9) . .
Pb6A Pb2A Pb3B 59.6(8) . .
Pb1A Pb2A Pb3B 105.6(9) . .
Pb5A Pb2A Pb3B 100.5(7) . .
Pb2B Pb2A Pb3B 54.5(6) . .
Mn1A Pb2A Pb3B 51.5(8) . .
Mn1A Pb3A Pb7A 58.3(11) . .
Mn1A Pb3A Pb4A 60.8(10) . .
Pb7A Pb3A Pb4A 59.7(8) . .
Mn1A Pb3A Pb8A 57.8(10) . .
Pb7A Pb3A Pb8A 105.5(10) . .
Pb4A Pb3A Pb8A 58.4(7) . .
Mn1A Pb3A Pb9A 52.8(9) . .
Pb7A Pb3A Pb9A 60.7(9) . .
Pb4A Pb3A Pb9A 106.3(11) . .
Pb8A Pb3A Pb9A 103.4(11) . .
Mn1A Pb3A Pb1B 51.1(10) . .
Pb7A Pb3A Pb1B 103.2(11) . .
Pb4A Pb3A Pb1B 103.2(9) . .
Pb8A Pb3A Pb1B 58.2(8) . .
Pb9A Pb3A Pb1B 55.3(7) . .
Pb8A Pb4A Pb7A 108.1(11) . .
Pb8A Pb4A Mn1A 57.9(10) . .
Pb7A Pb4A Mn1A 57.6(10) . .
Pb8A Pb4A Pb3A 61.3(8) . .
Pb7A Pb4A Pb3A 60.1(9) . .
Mn1A Pb4A Pb3A 58.1(11) . .
Pb8A Pb4A Pb3B 57.8(8) . .
Pb7A Pb4A Pb3B 104.0(10) . .
Mn1A Pb4A Pb3B 55.0(9) . .
Pb3A Pb4A Pb3B 105.3(10) . .
Pb8A Pb4A Pb2B 103.5(10) . .
Pb7A Pb4A Pb2B 58.8(8) . .
Mn1A Pb4A Pb2B 54.8(10) . .
Pb3A Pb4A Pb2B 105.2(10) . .
Pb3B Pb4A Pb2B 56.2(6) . .
Pb9A Pb5A Mn1A 55.1(9) . .
Pb9A Pb5A Pb1A 65.1(8) . .
Mn1A Pb5A Pb1A 64.7(10) . .
Pb9A Pb5A Pb2B 103.6(7) . .
Mn1A Pb5A Pb2B 55.3(9) . .
Pb1A Pb5A Pb2B 107.7(7) . .
Pb9A Pb5A Pb2A 108.6(7) . .
Mn1A Pb5A Pb2A 64.0(9) . .
Pb1A Pb5A Pb2A 57.4(7) . .
Pb2B Pb5A Pb2A 62.2(7) . .
Pb9A Pb5A Pb7A 60.3(8) . .
Mn1A Pb5A Pb7A 54.1(9) . .
Pb1A Pb5A Pb7A 113.5(8) . .
Pb2B Pb5A Pb7A 56.2(6) . .
Pb2A Pb5A Pb7A 109.1(6) . .
Pb2A Pb6A Pb1A 62.8(8) . .
Pb2A Pb6A Pb3B 68.2(8) . .
Pb1A Pb6A Pb3B 112.6(9) . .
Pb2A Pb6A Mn1A 67.0(10) . .
Pb1A Pb6A Mn1A 64.7(9) . .
Pb3B Pb6A Mn1A 54.9(9) . .
Pb2A Pb6A Pb1B 109.1(8) . .
Pb1A Pb6A Pb1B 62.8(7) . .
Pb3B Pb6A Pb1B 95.4(9) . .
Mn1A Pb6A Pb1B 50.3(9) . .
Pb2A Pb6A Pb8A 108.7(10) . .
Pb1A Pb6A Pb8A 106.8(8) . .
Pb3B Pb6A Pb8A 51.4(7) . .
Mn1A Pb6A Pb8A 49.5(8) . .
Pb1B Pb6A Pb8A 52.6(6) . .
Mn1A Pb7A Pb4A 61.3(9) . .
Mn1A Pb7A Pb3A 59.3(10) . .
Pb4A Pb7A Pb3A 60.2(8) . .
Mn1A Pb7A Pb2B 57.4(10) . .
Pb4A Pb7A Pb2B 63.6(6) . .
Pb3A Pb7A Pb2B 108.9(7) . .
Mn1A Pb7A Pb9A 53.8(9) . .
Pb4A Pb7A Pb9A 108.2(9) . .
Pb3A Pb7A Pb9A 62.8(9) . .
Pb2B Pb7A Pb9A 100.3(10) . .
Mn1A Pb7A Pb5A 57.5(9) . .
Pb4A Pb7A Pb5A 111.0(9) . .
Pb3A Pb7A Pb5A 107.7(11) . .
Pb2B Pb7A Pb5A 58.7(8) . .
Pb9A Pb7A Pb5A 53.5(7) . .
Mn1A Pb8A Pb4A 61.9(11) . .
Mn1A Pb8A Pb3B 58.3(10) . .
Pb4A Pb8A Pb3B 64.6(8) . .
Mn1A Pb8A Pb3A 59.0(11) . .
Pb4A Pb8A Pb3A 60.3(8) . .
Pb3B Pb8A Pb3A 109.7(10) . .
Mn1A Pb8A Pb1B 53.4(10) . .
Pb4A Pb8A Pb1B 109.3(8) . .
Pb3B Pb8A Pb1B 99.4(11) . .
Pb3A Pb8A Pb1B 64.1(8) . .
Mn1A Pb8A Pb6A 55.5(10) . .
Pb4A Pb8A Pb6A 107.3(10) . .
Pb3B Pb8A Pb6A 53.5(8) . .
Pb3A Pb8A Pb6A 108.1(10) . .
Pb1B Pb8A Pb6A 55.2(7) . .
Mn1A Pb9A Pb5A 64.2(10) . .
Mn1A Pb9A Pb1B 55.4(10) . .
Pb5A Pb9A Pb1B 107.9(8) . .
Mn1A Pb9A Pb7A 58.3(10) . .
Pb5A Pb9A Pb7A 66.2(8) . .
Pb1B Pb9A Pb7A 105.9(7) . .
Mn1A Pb9A Pb3A 58.2(10) . .
Pb5A Pb9A Pb3A 113.2(9) . .
Pb1B Pb9A Pb3A 62.8(8) . .
Pb7A Pb9A Pb3A 56.6(9) . .
Mn1A Pb9A Pb1A 65.7(10) . .
Pb5A Pb9A Pb1A 60.0(8) . .
Pb1B Pb9A Pb1A 61.8(7) . .
Pb7A Pb9A Pb1A 114.2(9) . .
Pb3A Pb9A Pb1A 116.3(6) . .
Mn1A Pb1B Pb9A 57.5(10) . .
Mn1A Pb1B Pb8A 60.0(10) . .
Pb9A Pb1B Pb8A 108.4(9) . .
Mn1A Pb1B Pb6A 64.2(11) . .
Pb9A Pb1B Pb6A 106.7(9) . .
Pb8A Pb1B Pb6A 72.2(8) . .
Mn1A Pb1B Pb1A 66.8(10) . .
Pb9A Pb1B Pb1A 62.8(7) . .
Pb8A Pb1B Pb1A 117.3(9) . .
Pb6A Pb1B Pb1A 55.8(7) . .
Mn1A Pb1B Pb3A 58.3(11) . .
Pb9A Pb1B Pb3A 61.9(8) . .
Pb8A Pb1B Pb3A 57.7(7) . .
Pb6A Pb1B Pb3A 116.5(9) . .
Pb1A Pb1B Pb3A 116.4(10) . .
Mn1A Pb2B Pb3B 58.3(9) . .
Mn1A Pb2B Pb7A 58.7(10) . .
Pb3B Pb2B Pb7A 107.4(9) . .
Mn1A Pb2B Pb5A 60.3(8) . .
Pb3B Pb2B Pb5A 108.3(9) . .
Pb7A Pb2B Pb5A 65.1(8) . .
Mn1A Pb2B Pb4A 59.4(9) . .
Pb3B Pb2B Pb4A 61.5(6) . .
Pb7A Pb2B Pb4A 57.6(7) . .
Pb5A Pb2B Pb4A 111.4(8) . .
Mn1A Pb2B Pb2A 64.6(10) . .
Pb3B Pb2B Pb2A 63.2(6) . .
Pb7A Pb2B Pb2A 114.3(9) . .
Pb5A Pb2B Pb2A 59.6(6) . .
Pb4A Pb2B Pb2A 115.4(8) . .
Mn1A Pb3B Pb8A 59.5(9) . .
Mn1A Pb3B Pb2B 58.4(9) . .
Pb8A Pb3B Pb2B 108.2(7) . .
Mn1A Pb3B Pb6A 63.9(10) . .
Pb8A Pb3B Pb6A 75.1(9) . .
Pb2B Pb3B Pb6A 105.5(8) . .
Mn1A Pb3B Pb4A 59.7(10) . .
Pb8A Pb3B Pb4A 57.6(8) . .
Pb2B Pb3B Pb4A 62.3(7) . .
Pb6A Pb3B Pb4A 118.9(8) . .
Mn1A Pb3B Pb2A 64.2(9) . .
Pb8A Pb3B Pb2A 115.0(9) . .
Pb2B Pb3B Pb2A 62.3(6) . .
Pb6A Pb3B Pb2A 52.2(8) . .
Pb4A Pb3B Pb2A 115.2(6) . .
Pb25 Mn2 Pb25 180.00(5) 3_667 .
Pb25 Mn2 Pb26 64.86(4) 3_667 3_667
Pb25 Mn2 Pb26 115.14(4) . 3_667
Pb25 Mn2 Pb26 115.14(4) 3_667 .
Pb25 Mn2 Pb26 64.86(4) . .
Pb26 Mn2 Pb26 180.000(1) 3_667 .
Pb25 Mn2 Pb24 117.02(3) 3_667 .
Pb25 Mn2 Pb24 62.98(3) . .
Pb26 Mn2 Pb24 63.76(3) 3_667 .
Pb26 Mn2 Pb24 116.24(3) . .
Pb25 Mn2 Pb24 62.98(3) 3_667 3_667
Pb25 Mn2 Pb24 117.02(3) . 3_667
Pb26 Mn2 Pb24 116.24(3) 3_667 3_667
Pb26 Mn2 Pb24 63.76(3) . 3_667
Pb24 Mn2 Pb24 180.000(1) . 3_667
Pb25 Mn2 Pb23 67.15(3) 3_667 .
Pb25 Mn2 Pb23 112.85(3) . .
Pb26 Mn2 Pb23 68.37(4) 3_667 .
Pb26 Mn2 Pb23 111.63(4) . .
Pb24 Mn2 Pb23 61.83(5) . .
Pb24 Mn2 Pb23 118.17(5) 3_667 .
Pb25 Mn2 Pb23 112.85(3) 3_667 3_667
Pb25 Mn2 Pb23 67.15(3) . 3_667
Pb26 Mn2 Pb23 111.63(4) 3_667 3_667
Pb26 Mn2 Pb23 68.37(4) . 3_667
Pb24 Mn2 Pb23 118.17(5) . 3_667
Pb24 Mn2 Pb23 61.83(5) 3_667 3_667
Pb23 Mn2 Pb23 180.0 . 3_667
Pb25 Mn2 Pb22 114.01(3) 3_667 3_667
Pb25 Mn2 Pb22 65.99(3) . 3_667
Pb26 Mn2 Pb22 60.96(4) 3_667 3_667
Pb26 Mn2 Pb22 119.04(4) . 3_667
Pb24 Mn2 Pb22 66.95(4) . 3_667
Pb24 Mn2 Pb22 113.05(4) 3_667 3_667
Pb23 Mn2 Pb22 119.24(4) . 3_667
Pb23 Mn2 Pb22 60.76(4) 3_667 3_667
Pb25 Mn2 Pb22 65.99(3) 3_667 .
Pb25 Mn2 Pb22 114.01(3) . .
Pb26 Mn2 Pb22 119.04(4) 3_667 .
Pb26 Mn2 Pb22 60.96(4) . .
Pb24 Mn2 Pb22 113.05(4) . .
Pb24 Mn2 Pb22 66.95(4) 3_667 .
Pb23 Mn2 Pb22 60.76(4) . .
Pb23 Mn2 Pb22 119.24(4) 3_667 .
Pb22 Mn2 Pb22 180.0 3_667 .
Pb25 Mn2 Pb21 65.15(3) 3_667 3_667
Pb25 Mn2 Pb21 114.85(3) . 3_667
Pb26 Mn2 Pb21 62.45(3) 3_667 3_667
Pb26 Mn2 Pb21 117.55(3) . 3_667
Pb24 Mn2 Pb21 116.00(3) . 3_667
Pb24 Mn2 Pb21 64.00(3) 3_667 3_667
Pb23 Mn2 Pb21 121.81(3) . 3_667
Pb23 Mn2 Pb21 58.19(3) 3_667 3_667
Pb22 Mn2 Pb21 58.14(3) 3_667 3_667
Pb22 Mn2 Pb21 121.86(3) . 3_667
Pb25 Mn2 Pb21 114.85(3) 3_667 .
Pb25 Mn2 Pb21 65.15(3) . .
Pb26 Mn2 Pb21 117.55(3) 3_667 .
Pb26 Mn2 Pb21 62.45(3) . .
Pb24 Mn2 Pb21 64.00(3) . .
Pb24 Mn2 Pb21 116.00(3) 3_667 .
Pb23 Mn2 Pb21 58.19(3) . .
Pb23 Mn2 Pb21 121.81(3) 3_667 .
Pb22 Mn2 Pb21 121.86(3) 3_667 .
Pb22 Mn2 Pb21 58.14(3) . .
Pb21 Mn2 Pb21 180.0 3_667 .
Pb23 Pb21 Pb22 61.50(5) . .
Pb23 Pb21 Pb26 105.52(4) . .
Pb22 Pb21 Pb26 58.97(4) . .
Pb23 Pb21 Mn2 58.52(3) . .
Pb22 Pb21 Mn2 59.83(3) . .
Pb26 Pb21 Mn2 54.94(3) . .
Pb23 Pb21 Pb25 102.14(5) . .
Pb22 Pb21 Pb25 104.28(4) . .
Pb26 Pb21 Pb25 57.43(4) . .
Mn2 Pb21 Pb25 52.02(2) . .
Pb23 Pb21 Pb24 58.52(5) . .
Pb22 Pb21 Pb24 106.43(4) . .
Pb26 Pb21 Pb24 101.90(4) . .
Mn2 Pb21 Pb24 54.53(3) . .
Pb25 Pb21 Pb24 55.28(4) . .
Pb21 Pb22 Pb26 62.43(4) . .
Pb21 Pb22 Pb23 58.73(4) . .
Pb26 Pb22 Pb23 106.04(5) . .
Pb21 Pb22 Mn2 62.03(3) . .
Pb26 Pb22 Mn2 56.61(3) . .
Pb23 Pb22 Mn2 58.40(4) . .
Pb21 Pb22 Pb25 106.84(4) . 3_667
Pb26 Pb22 Pb25 100.54(4) . 3_667
Pb23 Pb22 Pb25 61.37(4) . 3_667
Mn2 Pb22 Pb25 52.62(3) . 3_667
Pb21 Pb22 Pb24 108.45(5) . 3_667
Pb26 Pb22 Pb24 57.71(4) . 3_667
Pb23 Pb22 Pb24 105.29(5) . 3_667
Mn2 Pb22 Pb24 54.17(3) . 3_667
Pb25 Pb22 Pb24 54.45(3) 3_667 3_667
Pb21 Pb23 Mn2 63.29(3) . .
Pb21 Pb23 Pb24 64.45(4) . .
Mn2 Pb23 Pb24 57.68(4) . .
Pb21 Pb23 Pb22 59.77(4) . .
Mn2 Pb23 Pb22 60.84(3) . .
Pb24 Pb23 Pb22 109.64(5) . .
Pb21 Pb23 Pb25 107.56(4) . 3_667
Mn2 Pb23 Pb25 53.21(3) . 3_667
Pb24 Pb23 Pb25 102.18(5) . 3_667
Pb22 Pb23 Pb25 61.27(4) . 3_667
Pb21 Pb23 Pb26 109.97(5) . 3_667
Mn2 Pb23 Pb26 54.34(3) . 3_667
Pb24 Pb23 Pb26 57.57(4) . 3_667
Pb22 Pb23 Pb26 107.34(5) . 3_667
Pb25 Pb23 Pb26 55.73(4) 3_667 3_667
Mn2 Pb24 Pb25 56.39(3) . .
Mn2 Pb24 Pb23 60.49(4) . .
Pb25 Pb24 Pb23 106.48(5) . .
Mn2 Pb24 Pb26 57.86(3) . 3_667
Pb25 Pb24 Pb26 104.94(4) . 3_667
Pb23 Pb24 Pb26 65.72(5) . 3_667
Mn2 Pb24 Pb21 61.47(3) . .
Pb25 Pb24 Pb21 62.20(4) . .
Pb23 Pb24 Pb21 57.03(4) . .
Pb26 Pb24 Pb21 110.58(5) 3_667 .
Mn2 Pb24 Pb22 58.87(3) . 3_667
Pb25 Pb24 Pb22 60.97(4) . 3_667
Pb23 Pb24 Pb22 111.32(4) . 3_667
Pb26 Pb24 Pb22 56.68(4) 3_667 3_667
Pb21 Pb24 Pb22 112.90(4) . 3_667
Mn2 Pb25 Pb24 60.62(3) . .
Mn2 Pb25 Pb26 59.36(3) . .
Pb24 Pb25 Pb26 109.90(5) . .
Mn2 Pb25 Pb22 61.38(3) . 3_667
Pb24 Pb25 Pb22 64.58(4) . 3_667
Pb26 Pb25 Pb22 110.93(4) . 3_667
Mn2 Pb25 Pb23 59.64(3) . 3_667
Pb24 Pb25 Pb23 110.25(4) . 3_667
Pb26 Pb25 Pb23 63.97(5) . 3_667
Pb22 Pb25 Pb23 57.36(4) 3_667 3_667
Mn2 Pb25 Pb21 62.83(3) . .
Pb24 Pb25 Pb21 62.52(4) . .
Pb26 Pb25 Pb21 60.18(4) . .
Pb22 Pb25 Pb21 116.08(4) 3_667 .
Pb23 Pb25 Pb21 113.76(5) 3_667 .
Mn2 Pb26 Pb22 62.43(3) . .
Mn2 Pb26 Pb25 55.78(3) . .
Pb22 Pb26 Pb25 107.92(4) . .
Mn2 Pb26 Pb24 58.38(3) . 3_667
Pb22 Pb26 Pb24 65.61(4) . 3_667
Pb25 Pb26 Pb24 105.18(5) . 3_667
Mn2 Pb26 Pb21 62.61(3) . .
Pb22 Pb26 Pb21 58.61(4) . .
Pb25 Pb26 Pb21 62.40(4) . .
Pb24 Pb26 Pb21 111.71(4) 3_667 .
Mn2 Pb26 Pb23 57.29(3) . 3_667
Pb22 Pb26 Pb23 111.25(4) . 3_667
Pb25 Pb26 Pb23 60.30(4) . 3_667
Pb24 Pb26 Pb23 56.71(5) 3_667 3_667
Pb21 Pb26 Pb23 112.57(5) . 3_667
Pb1C Mn3 Pb1C 180.000(4) 3_557 .
Pb1C Mn3 Pb34 113.8(4) 3_557 .
Pb1C Mn3 Pb34 66.2(4) . .
Pb1C Mn3 Pb34 66.2(4) 3_557 3_557
Pb1C Mn3 Pb34 113.8(4) . 3_557
Pb34 Mn3 Pb34 180.00(7) . 3_557
Pb1C Mn3 Pb35 9.0(5) 3_557 3_557
Pb1C Mn3 Pb35 171.0(5) . 3_557
Pb34 Mn3 Pb35 113.93(5) . 3_557
Pb34 Mn3 Pb35 66.07(5) 3_557 3_557
Pb1C Mn3 Pb35 171.0(5) 3_557 .
Pb1C Mn3 Pb35 9.0(5) . .
Pb34 Mn3 Pb35 66.07(5) . .
Pb34 Mn3 Pb35 113.93(5) 3_557 .
Pb35 Mn3 Pb35 180.00(11) 3_557 .
Pb1C Mn3 Pb2C 64.6(5) 3_557 3_557
Pb1C Mn3 Pb2C 115.4(5) . 3_557
Pb34 Mn3 Pb2C 54.4(6) . 3_557
Pb34 Mn3 Pb2C 125.6(6) 3_557 3_557
Pb35 Mn3 Pb2C 68.8(4) 3_557 3_557
Pb35 Mn3 Pb2C 111.2(4) . 3_557
Pb1C Mn3 Pb2C 115.4(5) 3_557 .
Pb1C Mn3 Pb2C 64.6(5) . .
Pb34 Mn3 Pb2C 125.6(6) . .
Pb34 Mn3 Pb2C 54.4(6) 3_557 .
Pb35 Mn3 Pb2C 111.2(4) 3_557 .
Pb35 Mn3 Pb2C 68.8(4) . .
Pb2C Mn3 Pb2C 180.000(3) 3_557 .
Pb1C Mn3 Pb4C 115.8(4) 3_557 .
Pb1C Mn3 Pb4C 64.2(4) . .
Pb34 Mn3 Pb4C 57.8(4) . .
Pb34 Mn3 Pb4C 122.2(4) 3_557 .
Pb35 Mn3 Pb4C 123.9(3) 3_557 .
Pb35 Mn3 Pb4C 56.1(3) . .
Pb2C Mn3 Pb4C 64.4(3) 3_557 .
Pb2C Mn3 Pb4C 115.6(4) . .
Pb1C Mn3 Pb4C 64.2(4) 3_557 3_557
Pb1C Mn3 Pb4C 115.8(4) . 3_557
Pb34 Mn3 Pb4C 122.2(4) . 3_557
Pb34 Mn3 Pb4C 57.8(4) 3_557 3_557
Pb35 Mn3 Pb4C 56.1(3) 3_557 3_557
Pb35 Mn3 Pb4C 123.9(3) . 3_557
Pb2C Mn3 Pb4C 115.6(4) 3_557 3_557
Pb2C Mn3 Pb4C 64.4(3) . 3_557
Pb4C Mn3 Pb4C 180.000(3) . 3_557
Pb1C Mn3 Pb33 58.3(4) 3_557 .
Pb1C Mn3 Pb33 121.7(4) . .
Pb34 Mn3 Pb33 64.93(4) . .
Pb34 Mn3 Pb33 115.07(4) 3_557 .
Pb35 Mn3 Pb33 64.09(6) 3_557 .
Pb35 Mn3 Pb33 115.91(6) . .
Pb2C Mn3 Pb33 11.8(6) 3_557 .
Pb2C Mn3 Pb33 168.2(6) . .
Pb4C Mn3 Pb33 63.8(3) . .
Pb4C Mn3 Pb33 116.2(3) 3_557 .
Pb1C Mn3 Pb33 121.7(4) 3_557 3_557
Pb1C Mn3 Pb33 58.3(4) . 3_557
Pb34 Mn3 Pb33 115.07(4) . 3_557
Pb34 Mn3 Pb33 64.93(4) 3_557 3_557
Pb35 Mn3 Pb33 115.91(6) 3_557 3_557
Pb35 Mn3 Pb33 64.09(6) . 3_557
Pb2C Mn3 Pb33 168.2(6) 3_557 3_557
Pb2C Mn3 Pb33 11.8(6) . 3_557
Pb4C Mn3 Pb33 116.2(3) . 3_557
Pb4C Mn3 Pb33 63.8(3) 3_557 3_557
Pb33 Mn3 Pb33 180.000(1) . 3_557
Pb1C Mn3 Pb5C 65.3(5) 3_557 3_557
Pb1C Mn3 Pb5C 114.7(5) . 3_557
Pb34 Mn3 Pb5C 167.2(5) . 3_557
Pb34 Mn3 Pb5C 12.8(5) 3_557 3_557
Pb35 Mn3 Pb5C 67.4(3) 3_557 3_557
Pb35 Mn3 Pb5C 112.6(3) . 3_557
Pb2C Mn3 Pb5C 117.9(5) 3_557 3_557
Pb2C Mn3 Pb5C 62.1(5) . 3_557
Pb4C Mn3 Pb5C 110.3(3) . 3_557
Pb4C Mn3 Pb5C 69.7(3) 3_557 3_557
Pb33 Mn3 Pb5C 106.5(5) . 3_557
Pb33 Mn3 Pb5C 73.5(5) 3_557 3_557
Pb1C Mn3 Pb5C 114.7(5) 3_557 .
Pb1C Mn3 Pb5C 65.3(5) . .
Pb34 Mn3 Pb5C 12.8(5) . .
Pb34 Mn3 Pb5C 167.2(5) 3_557 .
Pb35 Mn3 Pb5C 112.6(3) 3_557 .
Pb35 Mn3 Pb5C 67.4(3) . .
Pb2C Mn3 Pb5C 62.1(5) 3_557 .
Pb2C Mn3 Pb5C 117.9(5) . .
Pb4C Mn3 Pb5C 69.7(3) . .
Pb4C Mn3 Pb5C 110.3(3) 3_557 .
Pb33 Mn3 Pb5C 73.5(5) . .
Pb33 Mn3 Pb5C 106.5(5) 3_557 .
Pb5C Mn3 Pb5C 180.000(6) 3_557 .
Pb1C Mn3 Pb6C 63.6(6) 3_557 3_557
Pb1C Mn3 Pb6C 116.4(6) . 3_557
Pb34 Mn3 Pb6C 107.3(5) . 3_557
Pb34 Mn3 Pb6C 72.7(5) 3_557 3_557
Pb35 Mn3 Pb6C 72.4(4) 3_557 3_557
Pb35 Mn3 Pb6C 107.6(4) . 3_557
Pb2C Mn3 Pb6C 65.9(5) 3_557 3_557
Pb2C Mn3 Pb6C 114.1(5) . 3_557
Pb4C Mn3 Pb6C 61.5(4) . 3_557
Pb4C Mn3 Pb6C 118.5(4) 3_557 3_557
Pb33 Mn3 Pb6C 54.5(4) . 3_557
Pb33 Mn3 Pb6C 125.5(4) 3_557 3_557
Pb5C Mn3 Pb6C 60.4(5) 3_557 3_557
Pb5C Mn3 Pb6C 119.6(5) . 3_557
Pb1C Mn3 Pb6C 116.4(6) 3_557 .
Pb1C Mn3 Pb6C 63.6(6) . .
Pb34 Mn3 Pb6C 72.7(5) . .
Pb34 Mn3 Pb6C 107.3(5) 3_557 .
Pb35 Mn3 Pb6C 107.6(4) 3_557 .
Pb35 Mn3 Pb6C 72.4(4) . .
Pb2C Mn3 Pb6C 114.1(5) 3_557 .
Pb2C Mn3 Pb6C 65.9(5) . .
Pb4C Mn3 Pb6C 118.5(4) . .
Pb4C Mn3 Pb6C 61.5(4) 3_557 .
Pb33 Mn3 Pb6C 125.5(4) . .
Pb33 Mn3 Pb6C 54.5(4) 3_557 .
Pb5C Mn3 Pb6C 119.6(5) 3_557 .
Pb5C Mn3 Pb6C 60.4(5) . .
Pb6C Mn3 Pb6C 180.0(5) 3_557 .
Pb1C Mn3 Pb3C 65.2(5) 3_557 3_557
Pb1C Mn3 Pb3C 114.8(5) . 3_557
Pb34 Mn3 Pb3C 65.7(4) . 3_557
Pb34 Mn3 Pb3C 114.3(4) 3_557 3_557
Pb35 Mn3 Pb3C 59.3(4) 3_557 3_557
Pb35 Mn3 Pb3C 120.7(4) . 3_557
Pb2C Mn3 Pb3C 62.1(6) 3_557 3_557
Pb2C Mn3 Pb3C 117.9(6) . 3_557
Pb4C Mn3 Pb3C 117.5(4) . 3_557
Pb4C Mn3 Pb3C 62.5(4) 3_557 3_557
Pb33 Mn3 Pb3C 70.0(4) . 3_557
Pb33 Mn3 Pb3C 110.0(4) 3_557 3_557
Pb5C Mn3 Pb3C 121.9(4) 3_557 3_557
Pb5C Mn3 Pb3C 58.1(4) . 3_557
Pb6C Mn3 Pb3C 118.1(6) 3_557 3_557
Pb6C Mn3 Pb3C 61.9(6) . 3_557
Pb1C Mn3 Pb3C 114.8(5) 3_557 .
Pb1C Mn3 Pb3C 65.2(5) . .
Pb34 Mn3 Pb3C 114.3(4) . .
Pb34 Mn3 Pb3C 65.7(4) 3_557 .
Pb35 Mn3 Pb3C 120.7(4) 3_557 .
Pb35 Mn3 Pb3C 59.3(4) . .
Pb2C Mn3 Pb3C 117.9(6) 3_557 .
Pb2C Mn3 Pb3C 62.1(6) . .
Pb4C Mn3 Pb3C 62.5(4) . .
Pb4C Mn3 Pb3C 117.5(4) 3_557 .
Pb33 Mn3 Pb3C 110.0(4) . .
Pb33 Mn3 Pb3C 70.0(4) 3_557 .
Pb5C Mn3 Pb3C 58.1(4) 3_557 .
Pb5C Mn3 Pb3C 121.9(4) . .
Pb6C Mn3 Pb3C 61.9(6) 3_557 .
Pb6C Mn3 Pb3C 118.1(6) . .
Pb3C Mn3 Pb3C 180.000(5) 3_557 .
Pb1C Mn3 Pb36 110.7(5) 3_557 .
Pb1C Mn3 Pb36 69.3(5) . .
Pb34 Mn3 Pb36 117.13(6) . .
Pb34 Mn3 Pb36 62.87(6) 3_557 .
Pb35 Mn3 Pb36 116.68(6) 3_557 .
Pb35 Mn3 Pb36 63.32(6) . .
Pb2C Mn3 Pb36 116.7(4) 3_557 .
Pb2C Mn3 Pb36 63.3(4) . .
Pb4C Mn3 Pb36 63.9(3) . .
Pb4C Mn3 Pb36 116.1(3) 3_557 .
Pb33 Mn3 Pb36 108.23(6) . .
Pb33 Mn3 Pb36 71.77(7) 3_557 .
Pb5C Mn3 Pb36 54.8(3) 3_557 .
Pb5C Mn3 Pb36 125.2(3) . .
Pb6C Mn3 Pb36 58.8(4) 3_557 .
Pb6C Mn3 Pb36 121.2(4) . .
Pb3C Mn3 Pb36 176.0(4) 3_557 .
Pb3C Mn3 Pb36 4.0(4) . .
Pb1C Mn3 Pb36 69.3(5) 3_557 3_557
Pb1C Mn3 Pb36 110.7(5) . 3_557
Pb34 Mn3 Pb36 62.87(6) . 3_557
Pb34 Mn3 Pb36 117.13(6) 3_557 3_557
Pb35 Mn3 Pb36 63.32(6) 3_557 3_557
Pb35 Mn3 Pb36 116.68(6) . 3_557
Pb2C Mn3 Pb36 63.3(4) 3_557 3_557
Pb2C Mn3 Pb36 116.7(4) . 3_557
Pb4C Mn3 Pb36 116.1(3) . 3_557
Pb4C Mn3 Pb36 63.9(3) 3_557 3_557
Pb33 Mn3 Pb36 71.77(7) . 3_557
Pb33 Mn3 Pb36 108.23(7) 3_557 3_557
Pb5C Mn3 Pb36 125.2(3) 3_557 3_557
Pb5C Mn3 Pb36 54.8(3) . 3_557
Pb6C Mn3 Pb36 121.2(4) 3_557 3_557
Pb6C Mn3 Pb36 58.8(4) . 3_557
Pb3C Mn3 Pb36 4.0(4) 3_557 3_557
Pb3C Mn3 Pb36 176.0(4) . 3_557
Pb36 Mn3 Pb36 180.000(1) . 3_557
Pb1C Mn3 Pb31 106.7(5) 3_557 .
Pb1C Mn3 Pb31 73.3(5) . .
Pb34 Mn3 Pb31 68.48(4) . .
Pb34 Mn3 Pb31 111.52(4) 3_557 .
Pb35 Mn3 Pb31 115.38(6) 3_557 .
Pb35 Mn3 Pb31 64.62(6) . .
Pb2C Mn3 Pb31 64.0(3) 3_557 .
Pb2C Mn3 Pb31 116.0(3) . .
Pb4C Mn3 Pb31 12.4(4) . .
Pb4C Mn3 Pb31 167.6(4) 3_557 .
Pb33 Mn3 Pb31 60.61(5) . .
Pb33 Mn3 Pb31 119.39(5) 3_557 .
Pb5C Mn3 Pb31 99.2(5) 3_557 .
Pb5C Mn3 Pb31 80.8(5) . .
Pb6C Mn3 Pb31 49.4(5) 3_557 .
Pb6C Mn3 Pb31 130.6(5) . .
Pb3C Mn3 Pb31 122.8(3) 3_557 .
Pb3C Mn3 Pb31 57.2(3) . .
Pb36 Mn3 Pb31 57.66(6) . .
Pb36 Mn3 Pb31 122.34(6) 3_557 .
Pb1C Mn3 Pb31 73.3(5) 3_557 3_557
Pb1C Mn3 Pb31 106.7(5) . 3_557
Pb34 Mn3 Pb31 111.52(4) . 3_557
Pb34 Mn3 Pb31 68.48(4) 3_557 3_557
Pb35 Mn3 Pb31 64.62(6) 3_557 3_557
Pb35 Mn3 Pb31 115.38(6) . 3_557
Pb2C Mn3 Pb31 116.0(3) 3_557 3_557
Pb2C Mn3 Pb31 64.0(3) . 3_557
Pb4C Mn3 Pb31 167.6(4) . 3_557
Pb4C Mn3 Pb31 12.4(4) 3_557 3_557
Pb33 Mn3 Pb31 119.39(5) . 3_557
Pb33 Mn3 Pb31 60.61(5) 3_557 3_557
Pb5C Mn3 Pb31 80.8(5) 3_557 3_557
Pb5C Mn3 Pb31 99.2(5) . 3_557
Pb6C Mn3 Pb31 130.6(5) 3_557 3_557
Pb6C Mn3 Pb31 49.4(5) . 3_557
Pb3C Mn3 Pb31 57.2(3) 3_557 3_557
Pb3C Mn3 Pb31 122.8(3) . 3_557
Pb36 Mn3 Pb31 122.34(6) . 3_557
Pb36 Mn3 Pb31 57.66(6) 3_557 3_557
Pb31 Mn3 Pb31 180.000(1) . 3_557
Pb1C Mn3 Pb32 60.2(5) 3_557 .
Pb1C Mn3 Pb32 119.8(5) . .
Pb34 Mn3 Pb32 115.67(5) . .
Pb34 Mn3 Pb32 64.33(5) 3_557 .
Pb35 Mn3 Pb32 68.65(7) 3_557 .
Pb35 Mn3 Pb32 111.35(7) . .
Pb2C Mn3 Pb32 72.1(6) 3_557 .
Pb2C Mn3 Pb32 107.9(6) . .
Pb4C Mn3 Pb32 69.0(5) . .
Pb4C Mn3 Pb32 111.0(5) 3_557 .
Pb33 Mn3 Pb32 60.51(5) . .
Pb33 Mn3 Pb32 119.49(5) 3_557 .
Pb5C Mn3 Pb32 52.1(6) 3_557 .
Pb5C Mn3 Pb32 127.9(6) . .
Pb6C Mn3 Pb32 8.5(6) 3_557 .
Pb6C Mn3 Pb32 171.5(6) . .
Pb3C Mn3 Pb32 119.4(4) 3_557 .
Pb3C Mn3 Pb32 60.6(4) . .
Pb36 Mn3 Pb32 57.05(7) . .
Pb36 Mn3 Pb32 122.95(7) 3_557 .
Pb31 Mn3 Pb32 56.72(6) . .
Pb31 Mn3 Pb32 123.28(6) 3_557 .
Pb1C Mn3 Pb32 119.8(5) 3_557 3_557
Pb1C Mn3 Pb32 60.2(5) . 3_557
Pb34 Mn3 Pb32 64.33(5) . 3_557
Pb34 Mn3 Pb32 115.67(5) 3_557 3_557
Pb35 Mn3 Pb32 111.35(7) 3_557 3_557
Pb35 Mn3 Pb32 68.65(7) . 3_557
Pb2C Mn3 Pb32 107.9(6) 3_557 3_557
Pb2C Mn3 Pb32 72.1(6) . 3_557
Pb4C Mn3 Pb32 111.0(5) . 3_557
Pb4C Mn3 Pb32 69.0(5) 3_557 3_557
Pb33 Mn3 Pb32 119.49(5) . 3_557
Pb33 Mn3 Pb32 60.51(5) 3_557 3_557
Pb5C Mn3 Pb32 127.9(6) 3_557 3_557
Pb5C Mn3 Pb32 52.1(6) . 3_557
Pb6C Mn3 Pb32 171.5(6) 3_557 3_557
Pb6C Mn3 Pb32 8.5(6) . 3_557
Pb3C Mn3 Pb32 60.6(4) 3_557 3_557
Pb3C Mn3 Pb32 119.4(4) . 3_557
Pb36 Mn3 Pb32 122.95(7) . 3_557
Pb36 Mn3 Pb32 57.05(7) 3_557 3_557
Pb31 Mn3 Pb32 123.28(6) . 3_557
Pb31 Mn3 Pb32 56.72(6) 3_557 3_557
Pb32 Mn3 Pb32 180.00(7) . 3_557
Pb32 Pb31 Pb36 60.02(7) . .
Pb32 Pb31 Pb33 61.14(6) . .
Pb36 Pb31 Pb33 107.00(8) . .
Pb32 Pb31 Mn3 62.57(6) . .
Pb36 Pb31 Mn3 60.73(5) . .
Pb33 Pb31 Mn3 56.04(5) . .
Pb32 Pb31 Pb35 106.22(8) . .
Pb36 Pb31 Pb35 60.23(7) . .
Pb33 Pb31 Pb35 101.67(7) . .
Mn3 Pb31 Pb35 52.58(5) . .
Pb32 Pb31 Pb34 105.69(7) . .
Pb36 Pb31 Pb34 104.62(7) . .
Pb33 Pb31 Pb34 56.90(5) . .
Mn3 Pb31 Pb34 50.83(3) . .
Pb35 Pb31 Pb34 55.54(5) . .
Pb31 Pb32 Pb36 60.09(7) . .
Pb31 Pb32 Pb33 60.25(6) . .
Pb36 Pb32 Pb33 106.38(8) . .
Pb31 Pb32 Mn3 60.71(5) . .
Pb36 Pb32 Mn3 60.11(6) . .
Pb33 Pb32 Mn3 55.23(5) . .
Pb31 Pb32 Pb34 104.26(8) . 3_557
Pb36 Pb32 Pb34 59.53(7) . 3_557
Pb33 Pb32 Pb34 99.80(8) . 3_557
Mn3 Pb32 Pb34 51.71(5) . 3_557
Pb31 Pb32 Pb35 103.18(7) . 3_557
Pb36 Pb32 Pb35 103.46(9) . 3_557
Pb33 Pb32 Pb35 55.56(6) . 3_557
Mn3 Pb32 Pb35 50.22(5) . 3_557
Pb34 Pb32 Pb35 54.93(6) 3_557 3_557
Mn3 Pb33 Pb35 56.19(5) . 3_557
Mn3 Pb33 Pb31 63.35(5) . .
Pb35 Pb33 Pb31 111.09(7) 3_557 .
Mn3 Pb33 Pb34 55.60(4) . .
Pb35 Pb33 Pb34 100.53(8) 3_557 .
Pb31 Pb33 Pb34 66.31(5) . .
Mn3 Pb33 Pb32 64.26(6) . .
Pb35 Pb33 Pb32 67.42(7) 3_557 .
Pb31 Pb33 Pb32 58.61(6) . .
Pb34 Pb33 Pb32 111.08(7) . .
Mn3 Pb33 Pb36 56.74(5) . 3_557
Pb35 Pb33 Pb36 56.01(7) 3_557 3_557
Pb31 Pb33 Pb36 112.07(7) . 3_557
Pb34 Pb33 Pb36 55.30(6) . 3_557
Pb32 Pb33 Pb36 113.43(9) . 3_557
Mn3 Pb34 Pb35 57.16(4) . .
Mn3 Pb34 Pb33 59.47(5) . .
Pb35 Pb34 Pb33 104.87(6) . .
Mn3 Pb34 Pb36 63.66(5) . 3_557
Pb35 Pb34 Pb36 110.26(7) . 3_557
Pb33 Pb34 Pb36 70.13(7) . 3_557
Mn3 Pb34 Pb32 63.96(5) . 3_557
Pb35 Pb34 Pb32 65.75(7) . 3_557
Pb33 Pb34 Pb32 114.69(7) . 3_557
Pb36 Pb34 Pb32 57.15(7) 3_557 3_557
Mn3 Pb34 Pb31 60.69(4) . .
Pb35 Pb34 Pb31 59.57(6) . .
Pb33 Pb34 Pb31 56.80(5) . .
Pb36 Pb34 Pb31 116.47(7) 3_557 .
Pb32 Pb34 Pb31 116.51(6) 3_557 .
Mn3 Pb35 Pb33 59.72(5) . 3_557
Mn3 Pb35 Pb34 56.77(4) . .
Pb33 Pb35 Pb34 104.57(8) 3_557 .
Mn3 Pb35 Pb36 63.19(5) . .
Pb33 Pb35 Pb36 70.17(7) 3_557 .
Pb34 Pb35 Pb36 109.64(8) . .
Mn3 Pb35 Pb31 62.80(5) . .
Pb33 Pb35 Pb31 114.22(7) 3_557 .
Pb34 Pb35 Pb31 64.89(5) . .
Pb36 Pb35 Pb31 57.11(7) . .
Mn3 Pb35 Pb32 61.13(6) . 3_557
Pb33 Pb35 Pb32 57.03(7) 3_557 3_557
Pb34 Pb35 Pb32 59.32(6) . 3_557
Pb36 Pb35 Pb32 116.53(9) . 3_557
Pb31 Pb35 Pb32 115.58(7) . 3_557
Pb32 Pb36 Pb31 59.89(7) . .
Pb32 Pb36 Pb34 63.32(7) . 3_557
Pb31 Pb36 Pb34 106.93(7) . 3_557
Pb32 Pb36 Mn3 62.84(5) . .
Pb31 Pb36 Mn3 61.61(5) . .
Pb34 Pb36 Mn3 53.47(4) 3_557 .
Pb32 Pb36 Pb35 107.98(7) . .
Pb31 Pb36 Pb35 62.65(7) . .
Pb34 Pb36 Pb35 98.13(8) 3_557 .
Mn3 Pb36 Pb35 53.49(5) . .
Pb32 Pb36 Pb33 107.13(8) . 3_557
Pb31 Pb36 Pb33 105.58(7) . 3_557
Pb34 Pb36 Pb33 54.57(6) 3_557 3_557
Mn3 Pb36 Pb33 51.49(5) . 3_557
Pb35 Pb36 Pb33 53.83(7) . 3_557
Mn3 Pb1C Pb2C 59.3(4) . .
Mn3 Pb1C Pb4C 60.0(4) . .
Pb2C Pb1C Pb4C 108.1(8) . .
Mn3 Pb1C Pb6C 61.9(5) . .
Pb2C Pb1C Pb6C 63.6(5) . .
Pb4C Pb1C Pb6C 113.5(7) . .
Mn3 Pb1C Pb5C 60.8(6) . .
Pb2C Pb1C Pb5C 110.1(7) . .
Pb4C Pb1C Pb5C 66.7(5) . .
Pb6C Pb1C Pb5C 58.6(5) . .
Mn3 Pb1C Pb3C 62.3(5) . .
Pb2C Pb1C Pb3C 59.7(7) . .
Pb4C Pb1C Pb3C 60.4(5) . .
Pb6C Pb1C Pb3C 114.3(7) . .
Pb5C Pb1C Pb3C 115.6(8) . .
Mn3 Pb2C Pb1C 56.1(4) . .
Mn3 Pb2C Pb5C 60.9(5) . 3_557
Pb1C Pb2C Pb5C 107.0(7) . 3_557
Mn3 Pb2C Pb4C 58.3(3) . 3_557
Pb1C Pb2C Pb4C 104.2(6) . 3_557
Pb5C Pb2C Pb4C 67.1(4) 3_557 3_557
Mn3 Pb2C Pb3C 62.5(4) . .
Pb1C Pb2C Pb3C 62.7(6) . .
Pb5C Pb2C Pb3C 57.9(6) 3_557 .
Pb4C Pb2C Pb3C 112.6(6) 3_557 .
Mn3 Pb2C Pb6C 59.1(5) . .
Pb1C Pb2C Pb6C 58.7(7) . .
Pb5C Pb2C Pb6C 112.8(6) 3_557 .
Pb4C Pb2C Pb6C 57.6(5) 3_557 .
Pb3C Pb2C Pb6C 112.7(6) . .
Pb5C Pb3C Pb2C 60.1(6) 3_557 .
Pb5C Pb3C Mn3 59.3(5) 3_557 .
Pb2C Pb3C Mn3 55.4(4) . .
Pb5C Pb3C Pb4C 105.6(6) 3_557 .
Pb2C Pb3C Pb4C 104.1(6) . .
Mn3 Pb3C Pb4C 55.8(4) . .
Pb5C Pb3C Pb6C 59.2(6) 3_557 3_557
Pb2C Pb3C Pb6C 104.9(7) . 3_557
Mn3 Pb3C Pb6C 57.7(5) . 3_557
Pb4C Pb3C Pb6C 57.8(5) . 3_557
Pb5C Pb3C Pb1C 104.7(7) 3_557 .
Pb2C Pb3C Pb1C 57.6(6) . .
Mn3 Pb3C Pb1C 52.5(4) . .
Pb4C Pb3C Pb1C 57.4(5) . .
Pb6C Pb3C Pb1C 102.2(7) 3_557 .
Mn3 Pb4C Pb1C 55.8(4) . .
Mn3 Pb4C Pb6C 60.9(5) . 3_557
Pb1C Pb4C Pb6C 108.7(6) . 3_557
Mn3 Pb4C Pb2C 57.3(3) . 3_557
Pb1C Pb4C Pb2C 102.9(5) . 3_557
Pb6C Pb4C Pb2C 63.2(5) 3_557 3_557
Mn3 Pb4C Pb3C 61.7(4) . .
Pb1C Pb4C Pb3C 62.2(5) . .
Pb6C Pb4C Pb3C 61.5(6) 3_557 .
Pb2C Pb4C Pb3C 111.2(6) 3_557 .
Mn3 Pb4C Pb5C 56.4(4) . .
Pb1C Pb4C Pb5C 58.0(5) . .
Pb6C Pb4C Pb5C 108.2(6) 3_557 .
Pb2C Pb4C Pb5C 55.7(4) 3_557 .
Pb3C Pb4C Pb5C 110.0(5) . .
Pb3C Pb5C Mn3 62.6(5) 3_557 .
Pb3C Pb5C Pb6C 63.4(6) 3_557 .
Mn3 Pb5C Pb6C 60.0(5) . .
Pb3C Pb5C Pb2C 62.0(7) 3_557 3_557
Mn3 Pb5C Pb2C 57.0(4) . 3_557
Pb6C Pb5C Pb2C 109.4(7) . 3_557
Pb3C Pb5C Pb1C 108.9(7) 3_557 .
Mn3 Pb5C Pb1C 53.9(4) . .
Pb6C Pb5C Pb1C 59.6(6) . .
Pb2C Pb5C Pb1C 101.9(6) 3_557 .
Pb3C Pb5C Pb4C 107.9(9) 3_557 .
Mn3 Pb5C Pb4C 53.9(4) . .
Pb6C Pb5C Pb4C 105.1(8) . .
Pb2C Pb5C Pb4C 57.2(4) 3_557 .
Pb1C Pb5C Pb4C 55.3(4) . .
Mn3 Pb6C Pb5C 59.6(6) . .
Mn3 Pb6C Pb4C 57.6(3) . 3_557
Pb5C Pb6C Pb4C 106.5(8) . 3_557
Mn3 Pb6C Pb1C 54.5(5) . .
Pb5C Pb6C Pb1C 61.8(6) . .
Pb4C Pb6C Pb1C 104.6(7) 3_557 .
Mn3 Pb6C Pb3C 60.4(5) . 3_557
Pb5C Pb6C Pb3C 57.4(6) . 3_557
Pb4C Pb6C Pb3C 60.7(5) 3_557 3_557
Pb1C Pb6C Pb3C 105.9(8) . 3_557
Mn3 Pb6C Pb2C 55.0(4) . .
Pb5C Pb6C Pb2C 107.9(8) . .
Pb4C Pb6C Pb2C 59.2(4) 3_557 .
Pb1C Pb6C Pb2C 57.7(6) . .
Pb3C Pb6C Pb2C 107.5(6) 3_557 .
O11 K1 O14 131.8(5) . .
O11 K1 O16 123.5(5) . .
O14 K1 O16 100.3(5) . .
O11 K1 O15 98.4(5) . .
O14 K1 O15 122.8(6) . .
O16 K1 O15 59.3(5) . .
O11 K1 O12 61.0(5) . .
O14 K1 O12 95.3(5) . .
O16 K1 O12 99.5(5) . .
O15 K1 O12 137.7(5) . .
O11 K1 O13 93.1(5) . .
O14 K1 O13 59.9(5) . .
O16 K1 O13 137.7(6) . .
O15 K1 O13 98.2(5) . .
O12 K1 O13 118.0(6) . .
O11 K1 N12 120.6(5) . .
O14 K1 N12 61.3(5) . .
O16 K1 N12 61.4(5) . .
O15 K1 N12 120.2(5) . .
O12 K1 N12 60.1(5) . .
O13 K1 N12 120.5(5) . .
O11 K1 N11 61.4(5) . .
O14 K1 N11 117.8(5) . .
O16 K1 N11 117.6(6) . .
O15 K1 N11 58.6(5) . .
O12 K1 N11 121.9(5) . .
O13 K1 N11 58.8(5) . .
N12 K1 N11 178.0(6) . .
O26 K2 O23 121.8(5) . .
O26 K2 O24 98.7(5) . .
O23 K2 O24 60.0(5) . .
O26 K2 O21 139.0(4) . .
O23 K2 O21 94.8(4) . .
O24 K2 O21 116.7(4) . .
O26 K2 O22 99.3(4) . .
O23 K2 O22 132.7(4) . .
O24 K2 O22 94.1(4) . .
O21 K2 O22 60.2(4) . .
O26 K2 O25 59.6(4) . .
O23 K2 O25 98.2(5) . .
O24 K2 O25 137.1(4) . .
O21 K2 O25 100.5(4) . .
O22 K2 O25 123.9(4) . .
O26 K2 N22 60.9(5) . .
O23 K2 N22 119.0(5) . .
O24 K2 N22 59.7(5) . .
O21 K2 N22 119.3(5) . .
O22 K2 N22 59.9(5) . .
O25 K2 N22 120.1(5) . .
O26 K2 N21 119.8(5) . .
O23 K2 N21 60.7(5) . .
O24 K2 N21 119.9(5) . .
O21 K2 N21 60.2(4) . .
O22 K2 N21 119.7(4) . .
O25 K2 N21 60.7(5) . .
N22 K2 N21 179.3(5) . .
O36 K3 O31 120.5(5) . .
O36 K3 O33 135.3(5) . .
O31 K3 O33 99.3(5) . .
O36 K3 O32 98.6(5) . .
O31 K3 O32 58.7(5) . .
O33 K3 O32 120.4(5) . .
O36 K3 O35 59.5(5) . .
O31 K3 O35 99.5(5) . .
O33 K3 O35 97.0(5) . .
O32 K3 O35 137.9(5) . .
O36 K3 N31 120.6(6) . .
O31 K3 N31 60.1(6) . .
O33 K3 N31 61.1(5) . .
O32 K3 N31 117.9(6) . .
O35 K3 N31 62.1(6) . .
O36 K3 N32 62.5(6) . .
O31 K3 N32 118.8(5) . .
O33 K3 N32 116.9(5) . .
O32 K3 N32 60.6(5) . .
O35 K3 N32 120.9(6) . .
N31 K3 N32 176.9(6) . .
O36 K3 O34 97.9(5) . .
O31 K3 O34 137.0(5) . .
O33 K3 O34 57.3(4) . .
O32 K3 O34 99.7(5) . .
O35 K3 O34 117.5(5) . .
N31 K3 O34 117.9(5) . .
N32 K3 O34 60.6(5) . .
O41 K4 O44 127.6(5) . .
O41 K4 O46 133.2(5) . .
O44 K4 O46 94.1(5) . .
O41 K4 O43 101.8(5) . .
O44 K4 O43 60.6(5) . .
O46 K4 O43 118.7(5) . .
O41 K4 O45 97.3(5) . .
O44 K4 O45 130.2(5) . .
O46 K4 O45 60.1(4) . .
O43 K4 O45 93.5(4) . .
O41 K4 O42 58.2(5) . .
O44 K4 O42 99.6(5) . .
O46 K4 O42 99.2(4) . .
O43 K4 O42 137.0(5) . .
O45 K4 O42 124.6(4) . .
O41 K4 N41 61.5(5) . .
O44 K4 N41 119.9(5) . .
O46 K4 N41 119.4(5) . .
O43 K4 N41 59.7(5) . .
O45 K4 N41 59.7(4) . .
O42 K4 N41 119.5(5) . .
O41 K4 N42 117.7(5) . .
O44 K4 N42 60.5(5) . .
O46 K4 N42 61.0(4) . .
O43 K4 N42 120.8(5) . .
O45 K4 N42 120.7(4) . .
O42 K4 N42 59.7(5) . .
N41 K4 N42 179.2(5) . .
O55 K5 O52 138.8(5) . .
O55 K5 O56 60.3(4) . .
O52 K5 O56 99.6(4) . .
O55 K5 O51 99.7(5) . .
O52 K5 O51 60.0(4) . .
O56 K5 O51 123.9(5) . .
O55 K5 O54 120.9(5) . .
O52 K5 O54 95.6(5) . .
O56 K5 O54 97.2(4) . .
O51 K5 O54 133.5(5) . .
O55 K5 O53 97.6(5) . .
O52 K5 O53 118.3(5) . .
O56 K5 O53 136.3(4) . .
O51 K5 O53 95.1(5) . .
O54 K5 O53 60.3(5) . .
O55 K5 N51 60.3(5) . .
O52 K5 N51 119.6(4) . .
O56 K5 N51 120.0(5) . .
O51 K5 N51 60.3(4) . .
O54 K5 N51 119.6(5) . .
O53 K5 N51 60.0(6) . .
O55 K5 N52 120.1(4) . .
O52 K5 N52 60.0(4) . .
O56 K5 N52 60.4(4) . .
O51 K5 N52 119.4(5) . .
O54 K5 N52 60.3(5) . .
O53 K5 N52 119.9(5) . .
N51 K5 N52 179.6(5) . .
O64 K6 O65 134.9(6) . .
O64 K6 O62 97.3(6) . .
O65 K6 O62 122.4(5) . .
O64 K6 O61 116.3(7) . .
O65 K6 O61 102.5(7) . .
O62 K6 O61 60.7(6) . .
O64 K6 O63 58.6(7) . .
O65 K6 O63 94.5(6) . .
O62 K6 O63 140.0(7) . .
O61 K6 O63 99.4(8) . .
O64 K6 N61 117.1(7) . .
O65 K6 N61 60.8(7) . .
O62 K6 N61 122.6(6) . .
O61 K6 N61 63.1(7) . .
O63 K6 N61 59.9(8) . .
O64 K6 O66 101.7(5) . .
O65 K6 O66 58.1(5) . .
O62 K6 O66 95.0(5) . .
O61 K6 O66 136.2(5) . .
O63 K6 O66 119.4(8) . .
N61 K6 O66 118.5(6) . .
O64 K6 N62 64.1(6) . .
O65 K6 N62 115.8(6) . .
O62 K6 N62 60.0(6) . .
O61 K6 N62 119.9(7) . .
O63 K6 N62 120.3(7) . .
N61 K6 N62 176.3(7) . .
O66 K6 N62 57.9(5) . .
O64 K6 C611 21.4(6) . .
O65 K6 C611 126.5(6) . .
O62 K6 C611 92.0(7) . .
O61 K6 C611 130.9(7) . .
O63 K6 C611 75.2(8) . .
N61 K6 C611 135.0(7) . .
O66 K6 C611 81.5(6) . .
N62 K6 C611 45.2(7) . .
C101 N11 C107 109(2) . .
C101 N11 C113 110(2) . .
C107 N11 C113 110(2) . .
C101 N11 K1 106.6(13) . .
C107 N11 K1 110.8(14) . .
C113 N11 K1 110.0(16) . .
C106 N12 C112 108.4(19) . .
C106 N12 C118 110.9(19) . .
C112 N12 C118 110.9(18) . .
C106 N12 K1 110.3(15) . .
C112 N12 K1 108.8(12) . .
C118 N12 K1 107.5(12) . .
C213 N21 C201 110.1(18) . .
C213 N21 C207 108.9(18) . .
C201 N21 C207 110.1(18) . .
C213 N21 K2 109.2(13) . .
C201 N21 K2 109.8(12) . .
C207 N21 K2 108.7(12) . .
C206 N22 C212 111.0(18) . .
C206 N22 C218 108(2) . .
C212 N22 C218 111(2) . .
C206 N22 K2 108.6(13) . .
C212 N22 K2 111.0(15) . .
C218 N22 K2 106.9(12) . .
C313 N31 C301 110(2) . .
C313 N31 C307 109(2) . .
C301 N31 C307 110(2) . .
C313 N31 K3 109.4(14) . .
C301 N31 K3 108.7(15) . .
C307 N31 K3 109.4(14) . .
C318 N32 C306 107.9(19) . .
C318 N32 C312 110(2) . .
C306 N32 C312 110(2) . .
C318 N32 K3 106.8(15) . .
C306 N32 K3 110.1(14) . .
C312 N32 K3 111.6(13) . .
C413 N41 C407 107.8(16) . .
C413 N41 C401 111(2) . .
C407 N41 C401 109.9(18) . .
C413 N41 K4 110.6(12) . .
C407 N41 K4 112.2(13) . .
C401 N41 K4 105.6(12) . .
C412 N42 C418 112.3(17) . .
C412 N42 C406 110.1(16) . .
C418 N42 C406 110.4(17) . .
C412 N42 K4 107.5(12) . .
C418 N42 K4 106.2(11) . .
C406 N42 K4 110.3(12) . .
C501 N51 C507 111(2) . .
C501 N51 C513 111(2) . .
C507 N51 C513 109.7(19) . .
C501 N51 K5 109.5(12) . .
C507 N51 K5 108.4(13) . .
C513 N51 K5 107.3(12) . .
C518 N52 C512 112.7(17) . .
C518 N52 C506 109.8(17) . .
C512 N52 C506 109.8(18) . .
C518 N52 K5 107.2(13) . .
C512 N52 K5 109.3(12) . .
C506 N52 K5 107.9(12) . .
C601 N61 C613 117(3) . .
C601 N61 C607 106(2) . .
C613 N61 C607 108(3) . .
C601 N61 K6 106.8(18) . .
C613 N61 K6 108.7(15) . .
C607 N61 K6 111(2) . .
C618 N62 C606 113(2) . .
C618 N62 C612 109(2) . .
C606 N62 C612 109(2) . .
C618 N62 K6 110.3(17) . .
C606 N62 K6 109.4(14) . .
C612 N62 K6 105.5(16) . .
C103 O11 C102 113.5(17) . .
C103 O11 K1 116.4(13) . .
C102 O11 K1 119.4(12) . .
C105 O12 C104 110.3(16) . .
C105 O12 K1 115.7(12) . .
C104 O12 K1 112.0(12) . .
C109 O13 C108 111(2) . .
C109 O13 K1 114.6(13) . .
C108 O13 K1 115.4(14) . .
C110 O14 C111 111.4(19) . .
C110 O14 K1 113.2(14) . .
C111 O14 K1 115.9(11) . .
C114 O15 C115 110(2) . .
C114 O15 K1 119.1(15) . .
C115 O15 K1 114.5(14) . .
C116 O16 C117 108(2) . .
C116 O16 K1 116.6(14) . .
C117 O16 K1 117.0(14) . .
C202 O21 C203 110.1(15) . .
C202 O21 K2 115.0(11) . .
C203 O21 K2 115.4(11) . .
C205 O22 C204 113.0(15) . .
C205 O22 K2 116.7(12) . .
C204 O22 K2 112.6(10) . .
C209 O23 C208 111(2) . .
C209 O23 K2 114.0(13) . .
C208 O23 K2 117.1(12) . .
C210 O24 C211 112(2) . .
C210 O24 K2 114.0(14) . .
C211 O24 K2 115.9(14) . .
C214 O25 C215 111.8(17) . .
C214 O25 K2 115.0(12) . .
C215 O25 K2 112.6(10) . .
C217 O26 C216 109.8(18) . .
C217 O26 K2 118.1(12) . .
C216 O26 K2 119.3(13) . .
C302 O31 C303 112(2) . .
C302 O31 K3 117.9(18) . .
C303 O31 K3 118.8(14) . .
C305 O32 C304 109.8(19) . .
C305 O32 K3 115.9(14) . .
C304 O32 K3 114.1(15) . .
C308 O33 C309 110(2) . .
C308 O33 K3 117.6(13) . .
C309 O33 K3 118.2(12) . .
C310 O34 C311 111.2(19) . .
C310 O34 K3 113.0(13) . .
C311 O34 K3 110.4(11) . .
C315 O35 C314 115(2) . .
C315 O35 K3 111.7(15) . .
C314 O35 K3 112.9(15) . .
C317 O36 C316 110(2) . .
C317 O36 K3 114.0(14) . .
C316 O36 K3 119.0(14) . .
C402 O41 C403 111.7(18) . .
C402 O41 K4 118.1(12) . .
C403 O41 K4 121.5(13) . .
C404 O42 C405 111.0(17) . .
C404 O42 K4 110.1(13) . .
C405 O42 K4 112.3(12) . .
C409 O43 C408 112.7(19) . .
C409 O43 K4 112.4(14) . .
C408 O43 K4 113.1(16) . .
C410 O44 C411 110.2(18) . .
C410 O44 K4 115.6(13) . .
C411 O44 K4 117.8(14) . .
C414 O45 C415 113.1(14) . .
C414 O45 K4 113.4(11) . .
C415 O45 K4 110.7(10) . .
C416 O46 C417 112.4(15) . .
C416 O46 K4 114.0(10) . .
C417 O46 K4 113.7(11) . .
C503 O51 C502 111.7(16) . .
C503 O51 K5 112.3(12) . .
C502 O51 K5 114.8(12) . .
C505 O52 C504 113.4(17) . .
C505 O52 K5 116.0(12) . .
C504 O52 K5 113.3(13) . .
C509 O53 C508 111.4(19) . .
C509 O53 K5 113.1(13) . .
C508 O53 K5 116.9(14) . .
C510 O54 C511 112.4(19) . .
C510 O54 K5 113.3(14) . .
C511 O54 K5 115.5(12) . .
C514 O55 C515 110.1(18) . .
C514 O55 K5 121.8(12) . .
C515 O55 K5 117.8(13) . .
C517 O56 C516 109.3(17) . .
C517 O56 K5 116.6(12) . .
C516 O56 K5 112.0(12) . .
C603 O61 C602 111(2) . .
C603 O61 K6 115.1(16) . .
C602 O61 K6 115.9(19) . .
C605 O62 C604 111(2) . .
C605 O62 K6 116.4(16) . .
C604 O62 K6 113.7(15) . .
C609 O63 C608 102(3) . .
C609 O63 K6 112(2) . .
C608 O63 K6 112.4(19) . .
C611 O64 C610 108(2) . .
C611 O64 K6 110.6(15) . .
C610 O64 K6 109.1(17) . .
C614 O65 C615 120(2) . .
C614 O65 K6 116.6(18) . .
C615 O65 K6 119.7(14) . .
C617 O66 C616 110.4(18) . .
C617 O66 K6 113.4(13) . .
C616 O66 K6 108.4(13) . .
N11 C101 C102 114(2) . .
N11 C101 H10A 108.7 . .
C102 C101 H10A 108.7 . .
N11 C101 H10B 108.7 . .
C102 C101 H10B 108.7 . .
H10A C101 H10B 107.6 . .
O11 C102 C101 111.7(18) . .
O11 C102 H10C 109.3 . .
C101 C102 H10C 109.3 . .
O11 C102 H10D 109.3 . .
C101 C102 H10D 109.3 . .
H10C C102 H10D 107.9 . .
O11 C103 C104 113(2) . .
O11 C103 H10E 109.0 . .
C104 C103 H10E 109.0 . .
O11 C103 H10F 109.0 . .
C104 C103 H10F 109.0 . .
H10E C103 H10F 107.8 . .
O12 C104 C103 107.4(18) . .
O12 C104 H10G 110.2 . .
C103 C104 H10G 110.2 . .
O12 C104 H10H 110.2 . .
C103 C104 H10H 110.2 . .
H10G C104 H10H 108.5 . .
O12 C105 C106 107.0(16) . .
O12 C105 H10I 110.3 . .
C106 C105 H10I 110.3 . .
O12 C105 H10J 110.3 . .
C106 C105 H10J 110.3 . .
H10I C105 H10J 108.6 . .
N12 C106 C105 113(2) . .
N12 C106 H10K 109.0 . .
C105 C106 H10K 109.0 . .
N12 C106 H10L 109.0 . .
C105 C106 H10L 109.0 . .
H10K C106 H10L 107.8 . .
N11 C107 C108 111(2) . .
N11 C107 H10M 109.4 . .
C108 C107 H10M 109.4 . .
N11 C107 H10N 109.4 . .
C108 C107 H10N 109.4 . .
H10M C107 H10N 108.0 . .
O13 C108 C107 107(2) . .
O13 C108 H10O 110.3 . .
C107 C108 H10O 110.3 . .
O13 C108 H10P 110.3 . .
C107 C108 H10P 110.3 . .
H10O C108 H10P 108.6 . .
O13 C109 C110 108(2) . .
O13 C109 H10Q 110.1 . .
C110 C109 H10Q 110.1 . .
O13 C109 H10R 110.1 . .
C110 C109 H10R 110.1 . .
H10Q C109 H10R 108.4 . .
O14 C110 C109 111(2) . .
O14 C110 H11A 109.5 . .
C109 C110 H11A 109.5 . .
O14 C110 H11B 109.5 . .
C109 C110 H11B 109.5 . .
H11A C110 H11B 108.1 . .
O14 C111 C112 112.0(19) . .
O14 C111 H11C 109.2 . .
C112 C111 H11C 109.2 . .
O14 C111 H11D 109.2 . .
C112 C111 H11D 109.2 . .
H11C C111 H11D 107.9 . .
C111 C112 N12 113.6(17) . .
C111 C112 H11E 108.8 . .
N12 C112 H11E 108.8 . .
C111 C112 H11F 108.8 . .
N12 C112 H11F 108.8 . .
H11E C112 H11F 107.7 . .
C114 C113 N11 111(2) . .
C114 C113 H11G 109.5 . .
N11 C113 H11G 109.5 . .
C114 C113 H11H 109.5 . .
N11 C113 H11H 109.5 . .
H11G C113 H11H 108.1 . .
O15 C114 C113 109(2) . .
O15 C114 H11I 109.9 . .
C113 C114 H11I 109.9 . .
O15 C114 H11J 109.9 . .
C113 C114 H11J 109.9 . .
H11I C114 H11J 108.3 . .
O15 C115 C116 109(2) . .
O15 C115 H11K 109.9 . .
C116 C115 H11K 109.9 . .
O15 C115 H11L 109.9 . .
C116 C115 H11L 109.9 . .
H11K C115 H11L 108.3 . .
O16 C116 C115 106(2) . .
O16 C116 H11M 110.5 . .
C115 C116 H11M 110.5 . .
O16 C116 H11N 110.5 . .
C115 C116 H11N 110.5 . .
H11M C116 H11N 108.7 . .
O16 C117 C118 109(2) . .
O16 C117 H11O 109.9 . .
C118 C117 H11O 109.9 . .
O16 C117 H11P 109.9 . .
C118 C117 H11P 109.9 . .
H11O C117 H11P 108.3 . .
N12 C118 C117 115.7(18) . .
N12 C118 H11Q 108.4 . .
C117 C118 H11Q 108.4 . .
N12 C118 H11R 108.4 . .
C117 C118 H11R 108.4 . .
H11Q C118 H11R 107.4 . .
N21 C201 C202 114(2) . .
N21 C201 H20A 108.7 . .
C202 C201 H20A 108.7 . .
N21 C201 H20B 108.7 . .
C202 C201 H20B 108.7 . .
H20A C201 H20B 107.6 . .
O21 C202 C201 108.8(17) . .
O21 C202 H20C 109.9 . .
C201 C202 H20C 109.9 . .
O21 C202 H20D 109.9 . .
C201 C202 H20D 109.9 . .
H20C C202 H20D 108.3 . .
O21 C203 C204 108.0(16) . .
O21 C203 H20E 110.1 . .
C204 C203 H20E 110.1 . .
O21 C203 H20F 110.1 . .
C204 C203 H20F 110.1 . .
H20E C203 H20F 108.4 . .
O22 C204 C203 110.5(14) . .
O22 C204 H20G 109.6 . .
C203 C204 H20G 109.6 . .
O22 C204 H20H 109.6 . .
C203 C204 H20H 109.6 . .
H20G C204 H20H 108.1 . .
O22 C205 C206 110.5(17) . .
O22 C205 H20I 109.5 . .
C206 C205 H20I 109.5 . .
O22 C205 H20J 109.5 . .
C206 C205 H20J 109.5 . .
H20I C205 H20J 108.1 . .
N22 C206 C205 114(2) . .
N22 C206 H20K 108.8 . .
C205 C206 H20K 108.8 . .
N22 C206 H20L 108.8 . .
C205 C206 H20L 108.8 . .
H20K C206 H20L 107.7 . .
C208 C207 N21 113.1(18) . .
C208 C207 H20M 109.0 . .
N21 C207 H20M 109.0 . .
C208 C207 H20N 109.0 . .
N21 C207 H20N 109.0 . .
H20M C207 H20N 107.8 . .
O23 C208 C207 110(2) . .
O23 C208 H20O 109.7 . .
C207 C208 H20O 109.7 . .
O23 C208 H20P 109.7 . .
C207 C208 H20P 109.7 . .
H20O C208 H20P 108.2 . .
O23 C209 C210 109(2) . .
O23 C209 H20Q 109.9 . .
C210 C209 H20Q 109.9 . .
O23 C209 H20R 109.9 . .
C210 C209 H20R 109.9 . .
H20Q C209 H20R 108.3 . .
O24 C210 C209 111(2) . .
O24 C210 H21A 109.5 . .
C209 C210 H21A 109.5 . .
O24 C210 H21B 109.5 . .
C209 C210 H21B 109.5 . .
H21A C210 H21B 108.1 . .
O24 C211 C212 111(2) . .
O24 C211 H21C 109.4 . .
C212 C211 H21C 109.4 . .
O24 C211 H21D 109.4 . .
C212 C211 H21D 109.4 . .
H21C C211 H21D 108.0 . .
N22 C212 C211 113.8(19) . .
N22 C212 H21E 108.8 . .
C211 C212 H21E 108.8 . .
N22 C212 H21F 108.8 . .
C211 C212 H21F 108.8 . .
H21E C212 H21F 107.7 . .
N21 C213 C214 115.8(18) . .
N21 C213 H21G 108.3 . .
C214 C213 H21G 108.3 . .
N21 C213 H21H 108.3 . .
C214 C213 H21H 108.3 . .
H21G C213 H21H 107.4 . .
O25 C214 C213 110.2(19) . .
O25 C214 H21I 109.6 . .
C213 C214 H21I 109.6 . .
O25 C214 H21J 109.6 . .
C213 C214 H21J 109.6 . .
H21I C214 H21J 108.1 . .
O25 C215 C216 108.0(17) . .
O25 C215 H21K 110.1 . .
C216 C215 H21K 110.1 . .
O25 C215 H21L 110.1 . .
C216 C215 H21L 110.1 . .
H21K C215 H21L 108.4 . .
O26 C216 C215 107.3(18) . .
O26 C216 H21M 110.2 . .
C215 C216 H21M 110.2 . .
O26 C216 H21N 110.2 . .
C215 C216 H21N 110.2 . .
H21M C216 H21N 108.5 . .
O26 C217 C218 109(2) . .
O26 C217 H21O 109.8 . .
C218 C217 H21O 109.8 . .
O26 C217 H21P 109.8 . .
C218 C217 H21P 109.8 . .
H21O C217 H21P 108.2 . .
N22 C218 C217 118(2) . .
N22 C218 H21Q 107.7 . .
C217 C218 H21Q 107.7 . .
N22 C218 H21R 107.7 . .
C217 C218 H21R 107.7 . .
H21Q C218 H21R 107.1 . .
N31 C301 C302 115(2) . .
N31 C301 H30A 108.6 . .
C302 C301 H30A 108.6 . .
N31 C301 H30B 108.6 . .
C302 C301 H30B 108.6 . .
H30A C301 H30B 107.5 . .
O31 C302 C301 106(3) . .
O31 C302 H30C 110.5 . .
C301 C302 H30C 110.5 . .
O31 C302 H30D 110.5 . .
C301 C302 H30D 110.5 . .
H30C C302 H30D 108.7 . .
C304 C303 O31 109(2) . .
C304 C303 H30E 109.9 . .
O31 C303 H30E 109.9 . .
C304 C303 H30F 109.9 . .
O31 C303 H30F 109.9 . .
H30E C303 H30F 108.3 . .
O32 C304 C303 111(2) . .
O32 C304 H30G 109.5 . .
C303 C304 H30G 109.5 . .
O32 C304 H30H 109.5 . .
C303 C304 H30H 109.5 . .
H30G C304 H30H 108.1 . .
O32 C305 C306 109(2) . .
O32 C305 H30I 109.8 . .
C306 C305 H30I 109.8 . .
O32 C305 H30J 109.8 . .
C306 C305 H30J 109.8 . .
H30I C305 H30J 108.3 . .
N32 C306 C305 115.6(19) . .
N32 C306 H30K 108.4 . .
C305 C306 H30K 108.4 . .
N32 C306 H30L 108.4 . .
C305 C306 H30L 108.4 . .
H30K C306 H30L 107.4 . .
N31 C307 C308 112(2) . .
N31 C307 H30M 109.1 . .
C308 C307 H30M 109.1 . .
N31 C307 H30N 109.1 . .
C308 C307 H30N 109.1 . .
H30M C307 H30N 107.8 . .
O33 C308 C307 107(2) . .
O33 C308 H30O 110.4 . .
C307 C308 H30O 110.4 . .
O33 C308 H30P 110.4 . .
C307 C308 H30P 110.4 . .
H30O C308 H30P 108.6 . .
O33 C309 C310 107(2) . .
O33 C309 H30Q 110.2 . .
C310 C309 H30Q 110.2 . .
O33 C309 H30R 110.2 . .
C310 C309 H30R 110.2 . .
H30Q C309 H30R 108.5 . .
O34 C310 C309 107.8(19) . .
O34 C310 H31A 110.1 . .
C309 C310 H31A 110.1 . .
O34 C310 H31B 110.1 . .
C309 C310 H31B 110.1 . .
H31A C310 H31B 108.5 . .
O34 C311 C312 110.0(19) . .
O34 C311 H31C 109.7 . .
C312 C311 H31C 109.7 . .
O34 C311 H31D 109.7 . .
C312 C311 H31D 109.7 . .
H31C C311 H31D 108.2 . .
N32 C312 C311 113(2) . .
N32 C312 H31E 108.9 . .
C311 C312 H31E 108.9 . .
N32 C312 H31F 108.9 . .
C311 C312 H31F 108.9 . .
H31E C312 H31F 107.7 . .
N31 C313 C314 117(2) . .
N31 C313 H31G 108.1 . .
C314 C313 H31G 108.1 . .
N31 C313 H31H 108.1 . .
C314 C313 H31H 108.1 . .
H31G C313 H31H 107.3 . .
O35 C314 C313 108.3(19) . .
O35 C314 H31I 110.0 . .
C313 C314 H31I 110.0 . .
O35 C314 H31J 110.0 . .
C313 C314 H31J 110.0 . .
H31I C314 H31J 108.4 . .
O35 C315 C316 112(2) . .
O35 C315 H31K 109.2 . .
C316 C315 H31K 109.2 . .
O35 C315 H31L 109.2 . .
C316 C315 H31L 109.2 . .
H31K C315 H31L 107.9 . .
O36 C316 C315 107(2) . .
O36 C316 H31M 110.3 . .
C315 C316 H31M 110.3 . .
O36 C316 H31N 110.3 . .
C315 C316 H31N 110.3 . .
H31M C316 H31N 108.6 . .
O36 C317 C318 110(2) . .
O36 C317 H31O 109.8 . .
C318 C317 H31O 109.8 . .
O36 C317 H31P 109.8 . .
C318 C317 H31P 109.8 . .
H31O C317 H31P 108.2 . .
N32 C318 C317 113(2) . .
N32 C318 H31Q 108.9 . .
C317 C318 H31Q 108.9 . .
N32 C318 H31R 108.9 . .
C317 C318 H31R 108.9 . .
H31Q C318 H31R 107.7 . .
C402 C401 N41 115.9(17) . .
C402 C401 H40A 108.3 . .
N41 C401 H40A 108.3 . .
C402 C401 H40B 108.3 . .
N41 C401 H40B 108.3 . .
H40A C401 H40B 107.4 . .
O41 C402 C401 108(2) . .
O41 C402 H40C 110.2 . .
C401 C402 H40C 110.2 . .
O41 C402 H40D 110.2 . .
C401 C402 H40D 110.2 . .
H40C C402 H40D 108.5 . .
O41 C403 C404 105(2) . .
O41 C403 H40E 110.7 . .
C404 C403 H40E 110.7 . .
O41 C403 H40F 110.7 . .
C404 C403 H40F 110.7 . .
H40E C403 H40F 108.8 . .
O42 C404 C403 108.2(18) . .
O42 C404 H40G 110.1 . .
C403 C404 H40G 110.1 . .
O42 C404 H40H 110.1 . .
C403 C404 H40H 110.1 . .
H40G C404 H40H 108.4 . .
O42 C405 C406 111.0(17) . .
O42 C405 H40I 109.4 . .
C406 C405 H40I 109.4 . .
O42 C405 H40J 109.4 . .
C406 C405 H40J 109.4 . .
H40I C405 H40J 108.0 . .
N42 C406 C405 112.1(18) . .
N42 C406 H40K 109.2 . .
C405 C406 H40K 109.2 . .
N42 C406 H40L 109.2 . .
C405 C406 H40L 109.2 . .
H40K C406 H40L 107.9 . .
N41 C407 C408 112(2) . .
N41 C407 H40M 109.2 . .
C408 C407 H40M 109.2 . .
N41 C407 H40N 109.2 . .
C408 C407 H40N 109.2 . .
H40M C407 H40N 107.9 . .
O43 C408 C407 109(2) . .
O43 C408 H40O 109.9 . .
C407 C408 H40O 109.9 . .
O43 C408 H40P 109.9 . .
C407 C408 H40P 109.9 . .
H40O C408 H40P 108.3 . .
O43 C409 C410 111.9(19) . .
O43 C409 H40Q 109.2 . .
C410 C409 H40Q 109.2 . .
O43 C409 H40R 109.2 . .
C410 C409 H40R 109.2 . .
H40Q C409 H40R 107.9 . .
O44 C410 C409 110.4(19) . .
O44 C410 H41A 109.6 . .
C409 C410 H41A 109.6 . .
O44 C410 H41B 109.6 . .
C409 C410 H41B 109.6 . .
H41A C410 H41B 108.1 . .
O44 C411 C412 106.4(17) . .
O44 C411 H41C 110.5 . .
C412 C411 H41C 110.5 . .
O44 C411 H41D 110.5 . .
C412 C411 H41D 110.5 . .
H41C C411 H41D 108.6 . .
N42 C412 C411 115.4(18) . .
N42 C412 H41E 108.4 . .
C411 C412 H41E 108.4 . .
N42 C412 H41F 108.4 . .
C411 C412 H41F 108.4 . .
H41E C412 H41F 107.5 . .
N41 C413 C414 112.1(18) . .
N41 C413 H41G 109.2 . .
C414 C413 H41G 109.2 . .
N41 C413 H41H 109.2 . .
C414 C413 H41H 109.2 . .
H41G C413 H41H 107.9 . .
O45 C414 C413 110.5(16) . .
O45 C414 H41I 109.6 . .
C413 C414 H41I 109.6 . .
O45 C414 H41J 109.6 . .
C413 C414 H41J 109.6 . .
H41I C414 H41J 108.1 . .
O45 C415 C416 109.5(15) . .
O45 C415 H41K 109.8 . .
C416 C415 H41K 109.8 . .
O45 C415 H41L 109.8 . .
C416 C415 H41L 109.8 . .
H41K C415 H41L 108.2 . .
O46 C416 C415 108.3(15) . .
O46 C416 H41M 110.0 . .
C415 C416 H41M 110.0 . .
O46 C416 H41N 110.0 . .
C415 C416 H41N 110.0 . .
H41M C416 H41N 108.4 . .
O46 C417 C418 108.1(18) . .
O46 C417 H41O 110.1 . .
C418 C417 H41O 110.1 . .
O46 C417 H41P 110.1 . .
C418 C417 H41P 110.1 . .
H41O C417 H41P 108.4 . .
N42 C418 C417 118.2(18) . .
N42 C418 H41Q 107.8 . .
C417 C418 H41Q 107.8 . .
N42 C418 H41R 107.8 . .
C417 C418 H41R 107.8 . .
H41Q C418 H41R 107.1 . .
N51 C501 C502 110(2) . .
N51 C501 H50A 109.6 . .
C502 C501 H50A 109.6 . .
N51 C501 H50B 109.6 . .
C502 C501 H50B 109.6 . .
H50A C501 H50B 108.2 . .
O51 C502 C501 109.0(19) . .
O51 C502 H50C 109.9 . .
C501 C502 H50C 109.9 . .
O51 C502 H50D 109.9 . .
C501 C502 H50D 109.9 . .
H50C C502 H50D 108.3 . .
O51 C503 C504 108(2) . .
O51 C503 H50E 110.1 . .
C504 C503 H50E 110.1 . .
O51 C503 H50F 110.1 . .
C504 C503 H50F 110.1 . .
H50E C503 H50F 108.4 . .
O52 C504 C503 110.2(19) . .
O52 C504 H50G 109.6 . .
C503 C504 H50G 109.6 . .
O52 C504 H50H 109.6 . .
C503 C504 H50H 109.6 . .
H50G C504 H50H 108.1 . .
O52 C505 C506 110(2) . .
O52 C505 H50I 109.7 . .
C506 C505 H50I 109.7 . .
O52 C505 H50J 109.7 . .
C506 C505 H50J 109.7 . .
H50I C505 H50J 108.2 . .
C505 C506 N52 114(2) . .
C505 C506 H50K 108.7 . .
N52 C506 H50K 108.7 . .
C505 C506 H50L 108.7 . .
N52 C506 H50L 108.7 . .
H50K C506 H50L 107.6 . .
C508 C507 N51 117(2) . .
C508 C507 H50M 108.2 . .
N51 C507 H50M 108.2 . .
C508 C507 H50N 108.2 . .
N51 C507 H50N 108.2 . .
H50M C507 H50N 107.3 . .
C507 C508 O53 108.1(18) . .
C507 C508 H50O 110.1 . .
O53 C508 H50O 110.1 . .
C507 C508 H50P 110.1 . .
O53 C508 H50P 110.1 . .
H50O C508 H50P 108.4 . .
O53 C509 C510 111(2) . .
O53 C509 H50Q 109.4 . .
C510 C509 H50Q 109.4 . .
O53 C509 H50R 109.4 . .
C510 C509 H50R 109.4 . .
H50Q C509 H50R 108.0 . .
O54 C510 C509 109(2) . .
O54 C510 H51A 110.0 . .
C509 C510 H51A 110.0 . .
O54 C510 H51B 110.0 . .
C509 C510 H51B 110.0 . .
H51A C510 H51B 108.3 . .
O54 C511 C512 110.0(19) . .
O54 C511 H51C 109.7 . .
C512 C511 H51C 109.7 . .
O54 C511 H51D 109.7 . .
C512 C511 H51D 109.7 . .
H51C C511 H51D 108.2 . .
C511 C512 N52 113.2(18) . .
C511 C512 H51E 108.9 . .
N52 C512 H51E 108.9 . .
C511 C512 H51F 108.9 . .
N52 C512 H51F 108.9 . .
H51E C512 H51F 107.8 . .
N51 C513 C514 115(2) . .
N51 C513 H51G 108.5 . .
C514 C513 H51G 108.5 . .
N51 C513 H51H 108.5 . .
C514 C513 H51H 108.5 . .
H51G C513 H51H 107.5 . .
O55 C514 C513 108(2) . .
O55 C514 H51I 110.1 . .
C513 C514 H51I 110.1 . .
O55 C514 H51J 110.1 . .
C513 C514 H51J 110.1 . .
H51I C514 H51J 108.4 . .
O55 C515 C516 110(2) . .
O55 C515 H51K 109.6 . .
C516 C515 H51K 109.6 . .
O55 C515 H51L 109.6 . .
C516 C515 H51L 109.6 . .
H51K C515 H51L 108.1 . .
O56 C516 C515 107(2) . .
O56 C516 H51M 110.4 . .
C515 C516 H51M 110.4 . .
O56 C516 H51N 110.4 . .
C515 C516 H51N 110.4 . .
H51M C516 H51N 108.6 . .
O56 C517 C518 109.1(15) . .
O56 C517 H51O 109.9 . .
C518 C517 H51O 109.9 . .
O56 C517 H51P 109.9 . .
C518 C517 H51P 109.9 . .
H51O C517 H51P 108.3 . .
N52 C518 C517 114.1(17) . .
N52 C518 H51Q 108.7 . .
C517 C518 H51Q 108.7 . .
N52 C518 H51R 108.7 . .
C517 C518 H51R 108.7 . .
H51Q C518 H51R 107.6 . .
N61 C601 C602 118(2) . .
N61 C601 H60A 107.8 . .
C602 C601 H60A 107.8 . .
N61 C601 H60B 107.8 . .
C602 C601 H60B 107.8 . .
H60A C601 H60B 107.2 . .
O61 C602 C601 107(2) . .
O61 C602 H60C 110.4 . .
C601 C602 H60C 110.4 . .
O61 C602 H60D 110.4 . .
C601 C602 H60D 110.4 . .
H60C C602 H60D 108.6 . .
O61 C603 C604 110(3) . .
O61 C603 H60E 109.7 . .
C604 C603 H60E 109.7 . .
O61 C603 H60F 109.7 . .
C604 C603 H60F 109.7 . .
H60E C603 H60F 108.2 . .
O62 C604 C603 110(2) . .
O62 C604 H60G 109.8 . .
C603 C604 H60G 109.8 . .
O62 C604 H60H 109.8 . .
C603 C604 H60H 109.8 . .
H60G C604 H60H 108.2 . .
O62 C605 C606 111(2) . .
O62 C605 H60I 109.4 . .
C606 C605 H60I 109.4 . .
O62 C605 H60J 109.4 . .
C606 C605 H60J 109.4 . .
H60I C605 H60J 108.0 . .
N62 C606 C605 113(2) . .
N62 C606 H60K 109.0 . .
C605 C606 H60K 109.0 . .
N62 C606 H60L 109.0 . .
C605 C606 H60L 109.0 . .
H60K C606 H60L 107.8 . .
C608 C607 N61 110(3) . .
C608 C607 H60M 109.6 . .
N61 C607 H60M 109.7 . .
C608 C607 H60N 109.7 . .
N61 C607 H60N 109.7 . .
H60M C607 H60N 108.2 . .
C607 C608 O63 100(4) . .
C607 C608 H60O 111.9 . .
O63 C608 H60O 111.9 . .
C607 C608 H60P 111.9 . .
O63 C608 H60P 111.9 . .
H60O C608 H60P 109.6 . .
C610 C609 O63 94(3) . .
C610 C609 H60Q 112.9 . .
O63 C609 H60Q 112.9 . .
C610 C609 H60R 112.9 . .
O63 C609 H60R 112.9 . .
H60Q C609 H60R 110.4 . .
C609 C610 O64 105(3) . .
C609 C610 H61A 110.8 . .
O64 C610 H61A 110.8 . .
C609 C610 H61B 110.8 . .
O64 C610 H61B 110.8 . .
H61A C610 H61B 108.8 . .
O64 C611 C612 114(2) . .
O64 C611 K6 48.0(12) . .
C612 C611 K6 84.9(14) . .
O64 C611 H61C 108.8 . .
C612 C611 H61C 108.8 . .
K6 C611 H61C 156.8 . .
O64 C611 H61D 108.8 . .
C612 C611 H61D 108.8 . .
K6 C611 H61D 84.2 . .
H61C C611 H61D 107.7 . .
N62 C612 C611 113(2) . .
N62 C612 H61E 108.9 . .
C611 C612 H61E 108.9 . .
N62 C612 H61F 108.9 . .
C611 C612 H61F 108.9 . .
H61E C612 H61F 107.7 . .
N61 C613 C614 116(2) . .
N61 C613 H61G 108.3 . .
C614 C613 H61G 108.3 . .
N61 C613 H61H 108.3 . .
C614 C613 H61H 108.3 . .
H61G C613 H61H 107.4 . .
O65 C614 C613 116(3) . .
O65 C614 H61I 108.3 . .
C613 C614 H61I 108.3 . .
O65 C614 H61J 108.3 . .
C613 C614 H61J 108.3 . .
H61I C614 H61J 107.4 . .
O65 C615 C616 114(2) . .
O65 C615 H61K 108.9 . .
C616 C615 H61K 108.9 . .
O65 C615 H61L 108.9 . .
C616 C615 H61L 108.9 . .
H61K C615 H61L 107.7 . .
C615 C616 O66 108(2) . .
C615 C616 H61M 110.1 . .
O66 C616 H61M 110.1 . .
C615 C616 H61N 110.1 . .
O66 C616 H61N 110.1 . .
H61M C616 H61N 108.4 . .
O66 C617 C618 106(2) . .
O66 C617 H61O 110.6 . .
C618 C617 H61O 110.6 . .
O66 C617 H61P 110.6 . .
C618 C617 H61P 110.6 . .
H61O C617 H61P 108.7 . .
N62 C618 C617 113(2) . .
N62 C618 H61Q 109.0 . .
C617 C618 H61Q 109.0 . .
N62 C618 H61R 109.0 . .
C617 C618 H61R 109.0 . .
H61Q C618 H61R 107.8 . .
C1E N1E H1E1 109.5 . .
C1E N1E H1E2 109.5 . .
H1E1 N1E H1E2 109.5 . .
C1E N1E H1E3 109.5 . .
H1E1 N1E H1E3 109.5 . .
H1E2 N1E H1E3 109.5 . .
C2E C1E N1E 115(3) . .
C2E C1E H1E4 108.4 . .
N1E C1E H1E4 108.4 . .
C2E C1E H1E5 108.4 . .
N1E C1E H1E5 108.4 . .
H1E4 C1E H1E5 107.5 . .
C1E C2E N2E 116(3) . .
C1E C2E H2E1 108.2 . .
N2E C2E H2E1 108.2 . .
C1E C2E H2E2 108.2 . .
N2E C2E H2E2 108.2 . .
H2E1 C2E H2E2 107.4 . .
C2E N2E H2E3 109.5 . .
C2E N2E H2E4 109.5 . .
H2E3 N2E H2E4 109.5 . .
C2E N2E H2E5 109.5 . .
H2E3 N2E H2E5 109.5 . .
H2E4 N2E H2E5 109.5 . .
C1S N1S H1S1 109.5 . .
C1S N1S H1S2 109.5 . .
H1S1 N1S H1S2 109.5 . .
C1S N1S H1S3 109.5 . .
H1S1 N1S H1S3 109.5 . .
H1S2 N1S H1S3 109.5 . .
C2S C1S N1S 115(3) . .
C2S C1S H1S4 108.5 . .
N1S C1S H1S4 108.5 . .
C2S C1S H1S5 108.5 . .
N1S C1S H1S5 108.5 . .
H1S4 C1S H1S5 107.5 . .
C1S C2S N2S 116(3) . .
C1S C2S H2S1 108.4 . .
N2S C2S H2S1 108.4 . .
C1S C2S H2S2 108.4 . .
N2S C2S H2S2 108.4 . .
H2S1 C2S H2S2 107.4 . .
C2S N2S H2S3 109.5 . .
C2S N2S H2S4 109.5 . .
H2S3 N2S H2S4 109.5 . .
C2S N2S H2S5 109.5 . .
H2S3 N2S H2S5 109.5 . .
H2S4 N2S H2S5 109.5 . .
C1Y N1Y H1YA 109.5 . .
C1Y N1Y H1YB 109.5 . .
H1YA N1Y H1YB 109.5 . .
C1Y N1Y H1YC 109.5 . .
H1YA N1Y H1YC 109.5 . .
H1YB N1Y H1YC 109.5 . .
N1Y C1Y C2Y 116(2) . .
N1Y C1Y H1YD 108.3 . .
C2Y C1Y H1YD 108.3 . .
N1Y C1Y H1YE 108.3 . .
C2Y C1Y H1YE 108.3 . .
H1YD C1Y H1YE 107.4 . .
N2Y C2Y C1Y 116(2) . .
N2Y C2Y H2YD 108.3 . .
C1Y C2Y H2YD 108.3 . .
N2Y C2Y H2YE 108.3 . .
C1Y C2Y H2YE 108.3 . .
H2YD C2Y H2YE 107.4 . .
C2Y N2Y H2YA 109.5 . .
C2Y N2Y H2YB 109.5 . .
H2YA N2Y H2YB 109.5 . .
C2Y N2Y H2YC 109.5 . .
H2YA N2Y H2YC 109.5 . .
H2YB N2Y H2YC 109.5 . .
C1R N1R H1R1 109.5 . .
C1R N1R H1R2 109.5 . .
H1R1 N1R H1R2 109.5 . .
C1R N1R H1R3 109.5 . .
H1R1 N1R H1R3 109.5 . .
H1R2 N1R H1R3 109.5 . .
N1R C1R C2R 112(2) . .
N1R C1R H1R4 109.2 . .
C2R C1R H1R4 109.2 . .
N1R C1R H1R5 109.2 . .
C2R C1R H1R5 109.2 . .
H1R4 C1R H1R5 107.9 . .
N2R C2R C1R 112(2) . .
N2R C2R H2R1 109.2 . .
C1R C2R H2R1 109.2 . .
N2R C2R H2R2 109.2 . .
C1R C2R H2R2 109.2 . .
H2R1 C2R H2R2 107.9 . .
C2R N2R H2R3 109.5 . .
C2R N2R H2R4 109.5 . .
H2R3 N2R H2R4 109.5 . .
C2R N2R H2R5 109.5 . .
H2R3 N2R H2R5 109.5 . .
H2R4 N2R H2R5 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 Pb9 2.869(3) .
Mn1 Pb11 2.876(4) .
Mn1 Pb10 2.886(4) .
Mn1 Pb12 2.891(3) .
Mn1 Pb6 3.080(4) .
Mn1 Pb7 3.083(4) .
Mn1 Pb5 3.099(3) .
Mn1 Pb8 3.112(4) .
Mn1 Pb1 3.272(4) .
Mn1 Pb2 3.274(4) .
Mn1 Pb3 3.296(4) .
Mn1 Pb4 3.308(4) .
Pb1 Pb5 3.102(3) .
Pb1 Pb6 3.132(2) .
Pb1 Pb2 3.150(2) .
Pb1 Pb9 3.368(3) .
Pb1 Pb10 3.386(3) .
Pb2 Pb5 3.100(2) .
Pb2 Pb6 3.138(3) .
Pb2 Pb11 3.379(2) .
Pb2 Pb12 3.396(2) .
Pb3 Pb8 3.106(2) .
Pb3 Pb7 3.111(3) .
Pb3 Pb4 3.128(2) .
Pb3 Pb10 3.379(3) .
Pb3 Pb9 3.451(2) .
Pb4 Pb8 3.108(2) .
Pb4 Pb7 3.1199(19) .
Pb4 Pb12 3.369(2) .
Pb4 Pb11 3.414(2) .
Pb5 Pb9 3.161(3) .
Pb5 Pb11 3.195(2) .
Pb5 Pb7 3.748(3) .
Pb6 Pb12 3.177(3) .
Pb6 Pb10 3.180(3) .
Pb6 Pb8 3.643(3) .
Pb7 Pb9 3.176(3) .
Pb7 Pb11 3.181(2) .
Pb8 Pb12 3.163(3) .
Pb8 Pb10 3.199(2) .
Pb9 Pb10 3.131(2) .
Pb11 Pb12 3.125(2) .
Mn1A Pb1B 2.76(5) .
Mn1A Pb9A 2.83(4) .
Mn1A Pb3B 2.94(4) .
Mn1A Pb2B 2.94(5) .
Mn1A Pb8A 2.98(4) .
Mn1A Pb7A 2.99(5) .
Mn1A Pb3A 3.02(5) .
Mn1A Pb4A 3.10(5) .
Mn1A Pb5A 3.11(4) .
Mn1A Pb6A 3.23(5) .
Mn1A Pb1A 3.37(5) .
Mn1A Pb2A 3.39(5) .
Pb1A Pb6A 3.08(2) .
Pb1A Pb2A 3.11(4) .
Pb1A Pb5A 3.19(3) .
Pb1A Pb1B 3.31(3) .
Pb1A Pb9A 3.34(3) .
Pb2A Pb6A 2.88(4) .
Pb2A Pb5A 3.27(3) .
Pb2A Pb2B 3.36(3) .
Pb2A Pb3B 3.39(3) .
Pb3A Pb7A 3.11(5) .
Pb3A Pb4A 3.11(4) .
Pb3A Pb8A 3.14(3) .
Pb3A Pb9A 3.32(4) .
Pb3A Pb1B 3.34(4) .
Pb4A Pb8A 3.05(4) .
Pb4A Pb7A 3.10(3) .
Pb4A Pb3B 3.26(3) .
Pb4A Pb2B 3.29(3) .
Pb5A Pb9A 3.01(3) .
Pb5A Pb2B 3.23(3) .
Pb5A Pb7A 3.43(4) .
Pb6A Pb3B 3.15(4) .
Pb6A Pb1B 3.26(3) .
Pb6A Pb8A 3.78(4) .
Pb7A Pb2B 3.14(3) .
Pb7A Pb9A 3.25(4) .
Pb8A Pb3B 3.06(4) .
Pb8A Pb1B 3.16(3) .
Pb9A Pb1B 3.09(2) .
Pb2B Pb3B 3.09(2) .
Mn2 Pb25 2.8779(9) 3_667
Mn2 Pb25 2.8779(9) .
Mn2 Pb26 2.9944(10) 3_667
Mn2 Pb26 2.9944(10) .
Mn2 Pb24 3.0111(11) .
Mn2 Pb24 3.0111(11) 3_667
Mn2 Pb23 3.1009(13) .
Mn2 Pb23 3.1009(13) 3_667
Mn2 Pb22 3.1792(12) 3_667
Mn2 Pb22 3.1792(12) .
Mn2 Pb21 3.2480(9) 3_667
Mn2 Pb21 3.2480(9) .
Pb21 Pb23 3.0898(15) .
Pb21 Pb22 3.1234(15) .
Pb21 Pb26 3.2434(15) .
Pb21 Pb25 3.3130(17) .
Pb21 Pb24 3.3229(17) .
Pb22 Pb26 3.1354(19) .
Pb22 Pb23 3.177(2) .
Pb22 Pb25 3.3083(17) 3_667
Pb22 Pb24 3.418(2) 3_667
Pb23 Pb24 3.141(2) .
Pb23 Pb25 3.3115(17) 3_667
Pb23 Pb26 3.426(2) 3_667
Pb24 Pb25 3.0784(16) .
Pb24 Pb26 3.1720(15) 3_667
Pb24 Pb22 3.418(2) 3_667
Pb25 Pb26 3.1505(18) .
Pb25 Pb22 3.3083(17) 3_667
Pb25 Pb23 3.3115(17) 3_667
Pb26 Pb24 3.1720(15) 3_667
Pb26 Pb23 3.426(2) 3_667
Mn3 Pb1C 2.842(18) 3_557
Mn3 Pb1C 2.842(18) .
Mn3 Pb34 2.8748(14) .
Mn3 Pb34 2.8748(14) 3_557
Mn3 Pb35 2.888(2) 3_557
Mn3 Pb35 2.888(2) .
Mn3 Pb2C 2.945(13) 3_557
Mn3 Pb2C 2.945(13) .
Mn3 Pb4C 2.978(12) .
Mn3 Pb4C 2.978(12) 3_557
Mn3 Pb33 3.001(2) .
Mn3 Pb33 3.001(2) 3_557
Mn3 Pb5C 3.07(2) 3_557
Mn3 Pb5C 3.07(2) .
Mn3 Pb6C 3.08(2) 3_557
Mn3 Pb6C 3.08(2) .
Mn3 Pb3C 3.171(17) 3_557
Mn3 Pb3C 3.171(17) .
Mn3 Pb36 3.2064(17) .
Mn3 Pb36 3.2064(17) 3_557
Mn3 Pb31 3.2337(18) .
Mn3 Pb31 3.2337(18) 3_557
Mn3 Pb32 3.291(2) .
Mn3 Pb32 3.291(2) 3_557
Pb31 Pb32 3.099(3) .
Pb31 Pb36 3.106(3) .
Pb31 Pb33 3.152(2) .
Pb31 Pb35 3.285(3) .
Pb31 Pb34 3.450(2) .
Pb32 Pb36 3.103(3) .
Pb32 Pb33 3.180(3) .
Pb32 Pb34 3.301(3) 3_557
Pb32 Pb35 3.500(4) 3_557
Pb33 Pb35 3.126(3) 3_557
Pb33 Pb34 3.156(2) .
Pb33 Pb36 3.642(4) 3_557
Pb34 Pb35 3.141(2) .
Pb34 Pb36 3.184(3) 3_557
Pb34 Pb32 3.301(3) 3_557
Pb35 Pb33 3.126(3) 3_557
Pb35 Pb36 3.210(3) .
Pb35 Pb32 3.500(4) 3_557
Pb36 Pb34 3.184(3) 3_557
Pb36 Pb33 3.642(4) 3_557
Pb1C Pb2C 3.09(2) .
Pb1C Pb4C 3.10(2) .
Pb1C Pb6C 3.13(3) .
Pb1C Pb5C 3.19(2) .
Pb1C Pb3C 3.25(3) .
Pb2C Pb5C 3.10(2) 3_557
Pb2C Pb4C 3.156(18) 3_557
Pb2C Pb3C 3.16(3) .
Pb2C Pb6C 3.28(2) .
Pb3C Pb5C 3.03(2) 3_557
Pb3C Pb4C 3.20(2) .
Pb3C Pb6C 3.22(3) 3_557
Pb4C Pb6C 3.10(2) 3_557
Pb4C Pb2C 3.156(18) 3_557
Pb4C Pb5C 3.459(18) .
Pb5C Pb3C 3.03(2) 3_557
Pb5C Pb6C 3.09(3) .
Pb5C Pb2C 3.10(2) 3_557
Pb6C Pb4C 3.10(2) 3_557
Pb6C Pb3C 3.22(3) 3_557
K1 O11 2.732(14) .
K1 O14 2.791(15) .
K1 O16 2.814(15) .
K1 O15 2.825(16) .
K1 O12 2.852(16) .
K1 O13 2.863(16) .
K1 N12 3.00(2) .
K1 N11 3.039(18) .
K2 O26 2.784(14) .
K2 O23 2.811(15) .
K2 O24 2.843(16) .
K2 O21 2.845(13) .
K2 O22 2.848(12) .
K2 O25 2.864(14) .
K2 N22 3.013(18) .
K2 N21 3.018(16) .
K3 O36 2.763(15) .
K3 O31 2.817(17) .
K3 O33 2.827(15) .
K3 O32 2.864(17) .
K3 O35 2.887(17) .
K3 N31 2.92(2) .
K3 N32 2.957(18) .
K3 O34 2.959(14) .
K4 O41 2.760(16) .
K4 O44 2.812(17) .
K4 O46 2.838(14) .
K4 O43 2.855(18) .
K4 O45 2.885(13) .
K4 O42 2.902(16) .
K4 N41 3.013(18) .
K4 N42 3.073(17) .
K5 O55 2.757(14) .
K5 O52 2.825(14) .
K5 O56 2.840(13) .
K5 O51 2.840(14) .
K5 O54 2.846(15) .
K5 O53 2.848(15) .
K5 N51 3.032(16) .
K5 N52 3.045(17) .
K6 O64 2.793(16) .
K6 O65 2.805(18) .
K6 O62 2.814(15) .
K6 O61 2.816(19) .
K6 O63 2.92(2) .
K6 N61 2.96(2) .
K6 O66 2.963(17) .
K6 N62 3.02(2) .
K6 C611 3.52(3) .
N11 C101 1.45(3) .
N11 C107 1.47(3) .
N11 C113 1.49(3) .
N12 C106 1.46(3) .
N12 C112 1.47(2) .
N12 C118 1.49(3) .
N21 C213 1.43(3) .
N21 C201 1.45(3) .
N21 C207 1.49(3) .
N22 C206 1.44(3) .
N22 C212 1.44(3) .
N22 C218 1.46(3) .
N31 C313 1.42(3) .
N31 C301 1.45(3) .
N31 C307 1.47(3) .
N32 C318 1.43(3) .
N32 C306 1.45(3) .
N32 C312 1.46(3) .
N41 C413 1.45(3) .
N41 C407 1.45(3) .
N41 C401 1.50(3) .
N42 C412 1.43(3) .
N42 C418 1.45(3) .
N42 C406 1.47(2) .
N51 C501 1.46(3) .
N51 C507 1.47(3) .
N51 C513 1.51(3) .
N52 C518 1.47(3) .
N52 C512 1.49(3) .
N52 C506 1.50(2) .
N61 C601 1.41(3) .
N61 C613 1.42(3) .
N61 C607 1.55(3) .
N62 C618 1.40(3) .
N62 C606 1.48(3) .
N62 C612 1.51(3) .
O11 C103 1.38(2) .
O11 C102 1.41(2) .
O12 C105 1.40(3) .
O12 C104 1.47(2) .
O13 C109 1.44(3) .
O13 C108 1.45(3) .
O14 C110 1.42(3) .
O14 C111 1.44(2) .
O15 C114 1.39(3) .
O15 C115 1.41(3) .
O16 C116 1.39(3) .
O16 C117 1.40(3) .
O21 C202 1.41(2) .
O21 C203 1.43(2) .
O22 C205 1.41(2) .
O22 C204 1.42(2) .
O23 C209 1.42(3) .
O23 C208 1.44(3) .
O24 C210 1.36(3) .
O24 C211 1.40(3) .
O25 C214 1.42(2) .
O25 C215 1.47(3) .
O26 C217 1.42(3) .
O26 C216 1.43(2) .
O31 C302 1.41(3) .
O31 C303 1.47(3) .
O32 C305 1.40(3) .
O32 C304 1.43(3) .
O33 C308 1.40(3) .
O33 C309 1.43(2) .
O34 C310 1.39(3) .
O34 C311 1.45(2) .
O35 C315 1.39(3) .
O35 C314 1.48(3) .
O36 C317 1.40(3) .
O36 C316 1.44(3) .
O41 C402 1.42(3) .
O41 C403 1.44(3) .
O42 C404 1.41(2) .
O42 C405 1.45(2) .
O43 C409 1.42(3) .
O43 C408 1.43(3) .
O44 C410 1.37(2) .
O44 C411 1.45(3) .
O45 C414 1.39(2) .
O45 C415 1.42(2) .
O46 C416 1.44(2) .
O46 C417 1.45(2) .
O51 C503 1.41(3) .
O51 C502 1.46(3) .
O52 C505 1.41(3) .
O52 C504 1.43(2) .
O53 C509 1.36(3) .
O53 C508 1.46(3) .
O54 C510 1.42(3) .
O54 C511 1.46(3) .
O55 C514 1.40(2) .
O55 C515 1.41(3) .
O56 C517 1.43(2) .
O56 C516 1.43(3) .
O61 C603 1.35(3) .
O61 C602 1.49(4) .
O62 C605 1.36(3) .
O62 C604 1.45(3) .
O63 C609 1.50(4) .
O63 C608 1.56(5) .
O64 C611 1.37(3) .
O64 C610 1.57(4) .
O65 C614 1.32(3) .
O65 C615 1.40(2) .
O66 C617 1.43(2) .
O66 C616 1.44(2) .
C101 C102 1.51(3) .
C101 H10A 0.9900 .
C101 H10B 0.9900 .
C102 H10C 0.9900 .
C102 H10D 0.9900 .
C103 C104 1.48(3) .
C103 H10E 0.9900 .
C103 H10F 0.9900 .
C104 H10G 0.9900 .
C104 H10H 0.9900 .
C105 C106 1.55(3) .
C105 H10I 0.9900 .
C105 H10J 0.9900 .
C106 H10K 0.9900 .
C106 H10L 0.9900 .
C107 C108 1.49(3) .
C107 H10M 0.9900 .
C107 H10N 0.9900 .
C108 H10O 0.9900 .
C108 H10P 0.9900 .
C109 C110 1.46(4) .
C109 H10Q 0.9900 .
C109 H10R 0.9900 .
C110 H11A 0.9900 .
C110 H11B 0.9900 .
C111 C112 1.47(3) .
C111 H11C 0.9900 .
C111 H11D 0.9900 .
C112 H11E 0.9900 .
C112 H11F 0.9900 .
C113 C114 1.49(4) .
C113 H11G 0.9900 .
C113 H11H 0.9900 .
C114 H11I 0.9900 .
C114 H11J 0.9900 .
C115 C116 1.53(4) .
C115 H11K 0.9900 .
C115 H11L 0.9900 .
C116 H11M 0.9900 .
C116 H11N 0.9900 .
C117 C118 1.51(4) .
C117 H11O 0.9900 .
C117 H11P 0.9900 .
C118 H11Q 0.9900 .
C118 H11R 0.9900 .
C201 C202 1.52(3) .
C201 H20A 0.9900 .
C201 H20B 0.9900 .
C202 H20C 0.9900 .
C202 H20D 0.9900 .
C203 C204 1.51(3) .
C203 H20E 0.9900 .
C203 H20F 0.9900 .
C204 H20G 0.9900 .
C204 H20H 0.9900 .
C205 C206 1.48(3) .
C205 H20I 0.9900 .
C205 H20J 0.9900 .
C206 H20K 0.9900 .
C206 H20L 0.9900 .
C207 C208 1.49(3) .
C207 H20M 0.9900 .
C207 H20N 0.9900 .
C208 H20O 0.9900 .
C208 H20P 0.9900 .
C209 C210 1.50(4) .
C209 H20Q 0.9900 .
C209 H20R 0.9900 .
C210 H21A 0.9900 .
C210 H21B 0.9900 .
C211 C212 1.49(3) .
C211 H21C 0.9900 .
C211 H21D 0.9900 .
C212 H21E 0.9900 .
C212 H21F 0.9900 .
C213 C214 1.51(3) .
C213 H21G 0.9900 .
C213 H21H 0.9900 .
C214 H21I 0.9900 .
C214 H21J 0.9900 .
C215 C216 1.51(3) .
C215 H21K 0.9900 .
C215 H21L 0.9900 .
C216 H21M 0.9900 .
C216 H21N 0.9900 .
C217 C218 1.46(3) .
C217 H21O 0.9900 .
C217 H21P 0.9900 .
C218 H21Q 0.9900 .
C218 H21R 0.9900 .
C301 C302 1.47(4) .
C301 H30A 0.9900 .
C301 H30B 0.9900 .
C302 H30C 0.9900 .
C302 H30D 0.9900 .
C303 C304 1.44(3) .
C303 H30E 0.9900 .
C303 H30F 0.9900 .
C304 H30G 0.9900 .
C304 H30H 0.9900 .
C305 C306 1.51(3) .
C305 H30I 0.9900 .
C305 H30J 0.9900 .
C306 H30K 0.9900 .
C306 H30L 0.9900 .
C307 C308 1.56(4) .
C307 H30M 0.9900 .
C307 H30N 0.9900 .
C308 H30O 0.9900 .
C308 H30P 0.9900 .
C309 C310 1.48(3) .
C309 H30Q 0.9900 .
C309 H30R 0.9900 .
C310 H31A 0.9900 .
C310 H31B 0.9900 .
C311 C312 1.48(4) .
C311 H31C 0.9900 .
C311 H31D 0.9900 .
C312 H31E 0.9900 .
C312 H31F 0.9900 .
C313 C314 1.51(4) .
C313 H31G 0.9900 .
C313 H31H 0.9900 .
C314 H31I 0.9900 .
C314 H31J 0.9900 .
C315 C316 1.48(4) .
C315 H31K 0.9900 .
C315 H31L 0.9900 .
C316 H31M 0.9900 .
C316 H31N 0.9900 .
C317 C318 1.53(4) .
C317 H31O 0.9900 .
C317 H31P 0.9900 .
C318 H31Q 0.9900 .
C318 H31R 0.9900 .
C401 C402 1.48(3) .
C401 H40A 0.9900 .
C401 H40B 0.9900 .
C402 H40C 0.9900 .
C402 H40D 0.9900 .
C403 C404 1.49(3) .
C403 H40E 0.9900 .
C403 H40F 0.9900 .
C404 H40G 0.9900 .
C404 H40H 0.9900 .
C405 C406 1.48(3) .
C405 H40I 0.9900 .
C405 H40J 0.9900 .
C406 H40K 0.9900 .
C406 H40L 0.9900 .
C407 C408 1.53(3) .
C407 H40M 0.9900 .
C407 H40N 0.9900 .
C408 H40O 0.9900 .
C408 H40P 0.9900 .
C409 C410 1.50(3) .
C409 H40Q 0.9900 .
C409 H40R 0.9900 .
C410 H41A 0.9900 .
C410 H41B 0.9900 .
C411 C412 1.56(3) .
C411 H41C 0.9900 .
C411 H41D 0.9900 .
C412 H41E 0.9900 .
C412 H41F 0.9900 .
C413 C414 1.50(3) .
C413 H41G 0.9900 .
C413 H41H 0.9900 .
C414 H41I 0.9900 .
C414 H41J 0.9900 .
C415 C416 1.47(3) .
C415 H41K 0.9900 .
C415 H41L 0.9900 .
C416 H41M 0.9900 .
C416 H41N 0.9900 .
C417 C418 1.48(3) .
C417 H41O 0.9900 .
C417 H41P 0.9900 .
C418 H41Q 0.9900 .
C418 H41R 0.9900 .
C501 C502 1.51(3) .
C501 H50A 0.9900 .
C501 H50B 0.9900 .
C502 H50C 0.9900 .
C502 H50D 0.9900 .
C503 C504 1.45(3) .
C503 H50E 0.9900 .
C503 H50F 0.9900 .
C504 H50G 0.9900 .
C504 H50H 0.9900 .
C505 C506 1.45(3) .
C505 H50I 0.9900 .
C505 H50J 0.9900 .
C506 H50K 0.9900 .
C506 H50L 0.9900 .
C507 C508 1.45(3) .
C507 H50M 0.9900 .
C507 H50N 0.9900 .
C508 H50O 0.9900 .
C508 H50P 0.9900 .
C509 C510 1.51(4) .
C509 H50Q 0.9900 .
C509 H50R 0.9900 .
C510 H51A 0.9900 .
C510 H51B 0.9900 .
C511 C512 1.48(3) .
C511 H51C 0.9900 .
C511 H51D 0.9900 .
C512 H51E 0.9900 .
C512 H51F 0.9900 .
C513 C514 1.51(4) .
C513 H51G 0.9900 .
C513 H51H 0.9900 .
C514 H51I 0.9900 .
C514 H51J 0.9900 .
C515 C516 1.51(4) .
C515 H51K 0.9900 .
C515 H51L 0.9900 .
C516 H51M 0.9900 .
C516 H51N 0.9900 .
C517 C518 1.49(3) .
C517 H51O 0.9900 .
C517 H51P 0.9900 .
C518 H51Q 0.9900 .
C518 H51R 0.9900 .
C601 C602 1.56(4) .
C601 H60A 0.9900 .
C601 H60B 0.9900 .
C602 H60C 0.9900 .
C602 H60D 0.9900 .
C603 C604 1.52(4) .
C603 H60E 0.9900 .
C603 H60F 0.9900 .
C604 H60G 0.9900 .
C604 H60H 0.9900 .
C605 C606 1.50(4) .
C605 H60I 0.9900 .
C605 H60J 0.9900 .
C606 H60K 0.9900 .
C606 H60L 0.9900 .
C607 C608 1.50(5) .
C607 H60M 0.9900 .
C607 H60N 0.9900 .
C608 H60O 0.9900 .
C608 H60P 0.9900 .
C609 C610 1.429(19) .
C609 H60Q 0.9900 .
C609 H60R 0.9900 .
C610 H61A 0.9900 .
C610 H61B 0.9900 .
C611 C612 1.55(4) .
C611 H61C 0.9900 .
C611 H61D 0.9900 .
C612 H61E 0.9900 .
C612 H61F 0.9900 .
C613 C614 1.46(4) .
C613 H61G 0.9900 .
C613 H61H 0.9900 .
C614 H61I 0.9900 .
C614 H61J 0.9900 .
C615 C616 1.44(3) .
C615 H61K 0.9900 .
C615 H61L 0.9900 .
C616 H61M 0.9900 .
C616 H61N 0.9900 .
C617 C618 1.48(3) .
C617 H61O 0.9900 .
C617 H61P 0.9900 .
C618 H61Q 0.9900 .
C618 H61R 0.9900 .
N1E C1E 1.50(3) .
N1E H1E1 0.9100 .
N1E H1E2 0.9100 .
N1E H1E3 0.9100 .
C1E C2E 1.36(3) .
C1E H1E4 0.9900 .
C1E H1E5 0.9900 .
C2E N2E 1.48(3) .
C2E H2E1 0.9900 .
C2E H2E2 0.9900 .
N2E H2E3 0.9100 .
N2E H2E4 0.9100 .
N2E H2E5 0.9100 .
N1S C1S 1.46(4) .
N1S H1S1 0.9100 .
N1S H1S2 0.9100 .
N1S H1S3 0.9100 .
C1S C2S 1.429(14) .
C1S H1S4 0.9900 .
C1S H1S5 0.9900 .
C2S N2S 1.45(4) .
C2S H2S1 0.9900 .
C2S H2S2 0.9900 .
N2S H2S3 0.9100 .
N2S H2S4 0.9100 .
N2S H2S5 0.9100 .
N1Y C1Y 1.45(2) .
N1Y H1YA 0.9100 .
N1Y H1YB 0.9100 .
N1Y H1YC 0.9100 .
C1Y C2Y 1.45(2) .
C1Y H1YD 0.9900 .
C1Y H1YE 0.9900 .
C2Y N2Y 1.44(2) .
C2Y H2YD 0.9900 .
C2Y H2YE 0.9900 .
N2Y H2YA 0.9100 .
N2Y H2YB 0.9100 .
N2Y H2YC 0.9100 .
N1R C1R 1.46(2) .
N1R H1R1 0.9100 .
N1R H1R2 0.9100 .
N1R H1R3 0.9100 .
C1R C2R 1.47(2) .
C1R H1R4 0.9900 .
C1R H1R5 0.9900 .
C2R N2R 1.46(2) .
C2R H2R1 0.9900 .
C2R H2R2 0.9900 .
N2R H2R3 0.9100 .
N2R H2R4 0.9100 .
N2R H2R5 0.9100 .
