#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:08:07 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179363 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/60/4326009.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_4326009
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
;
 [K(2,2,2-crypt)]2[Mn@Pb12]*1.5en
;
_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                 109.82(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.373(3)
_cell_length_b                   23.275(5)
_cell_length_c                   50.436(12)
_cell_measurement_reflns_used    50361
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      31.6465
_cell_measurement_theta_min      1.1876
_cell_volume                     19186(8)
_computing_cell_refinement
;
CrystalClear-SM Expert 2.0 r4 (Rigaku, 2009)
;
_computing_data_collection
;
CrystalClear-SM Expert 2.0 r4 (Rigaku, 2009)
;
_computing_data_reduction
;
CrystalClear-SM Expert 2.0 r4 (Rigaku, 2009)
;
_computing_molecular_graphics    '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_detector                 CCD
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.942
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_device       'CrystalLogic Kappa (3 circle)'
_diffrn_measurement_device_type  'Rigaku Saturn724+ (2x2 bin mode)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_radiation_monochromator  Synchrotron
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.68890
_diffrn_reflns_av_R_equivalents  0.1212
_diffrn_reflns_av_sigmaI/netI    0.0870
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       61
_diffrn_reflns_limit_l_min       -61
_diffrn_reflns_number            105799
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.19
_diffrn_source                   Synchrotron
_exptl_absorpt_coefficient_mu    21.285
_exptl_absorpt_correction_T_max  0.4158
_exptl_absorpt_correction_T_min  0.1003
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            metallic_dark_grey
_exptl_crystal_density_diffrn    2.685
_exptl_crystal_description       needle
_exptl_crystal_F_000             13880
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.005
_refine_diff_density_min         -3.588
_refine_diff_density_rms         0.408
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1905
_refine_ls_number_reflns         34956
_refine_ls_number_restraints     82
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0900
_refine_ls_R_factor_gt           0.0732
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1113P)²+25.8983P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1929
_refine_ls_wR_factor_ref         0.2175
_reflns_number_gt                26740
_reflns_number_total             34956
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic200329m_si_004_1.cif
_cod_data_source_block           1b
_cod_original_cell_volume        19186(7)
_cod_original_sg_symbol_H-M      'P 1 21/c 1 '
_cod_database_code               4326009
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 0.25669(10) 0.50279(7) 0.74812(3) 0.0332(4) Uani 1 1 d . . .
Pb1 Pb 0.06144(3) 0.47674(2) 0.717338(12) 0.04605(15) Uani 1 1 d . . .
Pb2 Pb 0.18793(4) 0.39724(2) 0.703548(13) 0.05142(16) Uani 1 1 d . . .
Pb3 Pb 0.32429(4) 0.60756(2) 0.793367(12) 0.05053(16) Uani 1 1 d . . .
Pb4 Pb 0.45173(3) 0.52755(2) 0.779708(12) 0.04711(15) Uani 1 1 d . . .
Pb5 Pb 0.17471(4) 0.39695(3) 0.763585(14) 0.05333(16) Uani 1 1 d . . .
Pb6 Pb 0.17070(4) 0.52488(3) 0.684465(14) 0.05957(18) Uani 1 1 d . . .
Pb7 Pb 0.34089(4) 0.47905(3) 0.811881(14) 0.06267(19) Uani 1 1 d . . .
Pb8 Pb 0.34057(4) 0.60919(3) 0.733727(14) 0.05568(17) Uani 1 1 d . . .
Pb9 Pb 0.15881(4) 0.52337(3) 0.783481(12) 0.04740(15) Uani 1 1 d . . .
Pb10 Pb 0.15791(4) 0.60492(2) 0.734103(15) 0.05733(18) Uani 1 1 d . . .
Pb11 Pb 0.35633(4) 0.40054(2) 0.762026(16) 0.05758(18) Uani 1 1 d . . .
Pb12 Pb 0.35456(4) 0.48346(3) 0.712982(12) 0.04898(15) Uani 1 1 d . . .
Mn2 Mn 0.0000 0.5000 1.0000 0.0370(6) Uani 1 2 d S . .
Pb21 Pb 0.1852(3) 0.52406(15) 0.99832(7) 0.0465(8) Uani 0.557(15) 1 d P A 1
Pb22 Pb 0.0015(4) 0.5264(3) 0.94124(11) 0.0816(12) Uani 0.557(15) 1 d P . 1
Pb23 Pb 0.0294(4) 0.61624(17) 0.98842(13) 0.0668(11) Uani 0.557(15) 1 d P . 1
Pb24 Pb 0.1077(3) 0.5713(3) 1.04389(13) 0.0645(9) Uani 0.557(15) 1 d P . 1
Pb25 Pb 0.1657(4) 0.43886(19) 1.04351(10) 0.0695(9) Uani 0.557(15) 1 d P . 1
Pb26 Pb 0.0831(5) 0.4142(2) 0.97303(16) 0.0916(12) Uani 0.557(15) 1 d P . 1
Pb1B Pb 0.1778(5) 0.5258(3) 0.99761(15) 0.090(2) Uani 0.443(15) 1 d P A 2
Pb2B Pb 0.0231(4) 0.5071(4) 0.94547(10) 0.0713(14) Uani 0.443(15) 1 d P . 2
Pb3B Pb 0.0217(4) 0.6151(3) 0.9814(2) 0.0691(15) Uani 0.443(15) 1 d P . 2
Pb4B Pb 0.1298(6) 0.5651(4) 1.05042(14) 0.0758(15) Uani 0.443(15) 1 d P . 2
Pb5B Pb 0.1500(6) 0.4410(3) 1.04168(18) 0.118(3) Uani 0.443(15) 1 d P . 2
Pb6B Pb 0.1076(3) 0.4028(2) 0.98430(18) 0.0705(12) Uani 0.443(15) 1 d P . 2
Mn3 Mn 0.5000 1.0000 1.0000 0.0324(6) Uani 1 2 d S . .
Pb31 Pb 0.6807(2) 0.98260(11) 0.99676(6) 0.0458(5) Uani 0.782(12) 1 d P B 3
Pb32 Pb 0.54777(14) 0.88438(6) 0.99267(6) 0.0440(5) Uani 0.782(12) 1 d P . 3
Pb33 Pb 0.48224(13) 0.96708(8) 0.94052(5) 0.0480(4) Uani 0.782(12) 1 d P . 3
Pb34 Pb 0.55492(11) 1.08494(7) 0.96903(4) 0.0481(5) Uani 0.782(12) 1 d P . 3
Pb35 Pb 0.65821(13) 1.07669(7) 1.03738(4) 0.0529(6) Uani 0.782(12) 1 d P . 3
Pb36 Pb 0.65038(11) 0.94802(10) 1.05204(5) 0.0488(4) Uani 0.782(12) 1 d P . 3
Pb1C Pb 0.6727(11) 0.9836(6) 0.9974(3) 0.077(4) Uani 0.218(12) 1 d P B 4
Pb2C Pb 0.5341(10) 0.8830(5) 0.9855(4) 0.091(4) Uani 0.218(12) 1 d P . 4
Pb3C Pb 0.5063(13) 0.9796(8) 0.9439(2) 0.101(4) Uani 0.218(12) 1 d P . 4
Pb4C Pb 0.5806(15) 1.0915(7) 0.9779(5) 0.123(5) Uani 0.218(12) 1 d P . 4
Pb5C Pb 0.6534(8) 1.0675(8) 1.0429(4) 0.137(5) Uani 0.218(12) 1 d P . 4
Pb6C Pb 0.6256(13) 0.9352(8) 1.0473(3) 0.093(4) Uani 0.218(12) 1 d P . 4
K1 K 0.70282(18) 0.75123(11) 0.89095(6) 0.0374(6) Uani 1 1 d . . .
N11 N 0.7388(9) 0.7784(6) 0.9525(3) 0.058(3) Uani 1 1 d . . .
N12 N 0.6636(9) 0.7244(5) 0.8290(3) 0.053(3) Uani 1 1 d . . .
O11 O 0.8596(6) 0.7338(4) 0.9287(2) 0.050(2) Uani 1 1 d . . .
O12 O 0.8327(7) 0.7233(5) 0.8707(2) 0.053(3) Uani 1 1 d . . .
O13 O 0.6134(8) 0.6985(4) 0.9220(2) 0.058(3) Uani 1 1 d . . .
O14 O 0.5967(6) 0.6598(5) 0.8662(3) 0.060(3) Uani 1 1 d . . .
O15 O 0.6768(7) 0.8645(4) 0.9068(2) 0.046(2) Uani 1 1 d . . .
O16 O 0.6190(7) 0.8337(4) 0.84948(19) 0.047(2) Uani 1 1 d . . .
C101 C 0.8193(13) 0.7542(9) 0.9685(3) 0.085(7) Uani 1 1 d . . .
H10A H 0.8132 0.7124 0.9708 0.102 Uiso 1 1 calc R . .
H10B H 0.8383 0.7715 0.9876 0.102 Uiso 1 1 calc R . .
C102 C 0.8841(11) 0.7640(8) 0.9549(4) 0.076(6) Uani 1 1 d . . .
H10C H 0.8892 0.8056 0.9517 0.091 Uiso 1 1 calc R . .
H10D H 0.9378 0.7497 0.9674 0.091 Uiso 1 1 calc R . .
C103 C 0.9257(10) 0.7309(8) 0.9182(4) 0.066(5) Uani 1 1 d . . .
H10E H 0.9742 0.7137 0.9326 0.079 Uiso 1 1 calc R . .
H10F H 0.9403 0.7699 0.9138 0.079 Uiso 1 1 calc R . .
C104 C 0.8991(13) 0.6946(8) 0.8922(4) 0.076(5) Uani 1 1 d . . .
H10G H 0.9456 0.6886 0.8854 0.091 Uiso 1 1 calc R . .
H10H H 0.8806 0.6566 0.8965 0.091 Uiso 1 1 calc R . .
C105 C 0.8120(13) 0.6911(7) 0.8446(3) 0.069(5) Uani 1 1 d . . .
H10I H 0.7953 0.6515 0.8473 0.083 Uiso 1 1 calc R . .
H10J H 0.8595 0.6891 0.8380 0.083 Uiso 1 1 calc R . .
C106 C 0.7409(12) 0.7232(7) 0.8230(3) 0.062(5) Uani 1 1 d . . .
H10K H 0.7583 0.7634 0.8218 0.074 Uiso 1 1 calc R . .
H10L H 0.7303 0.7053 0.8043 0.074 Uiso 1 1 calc R . .
C107 C 0.6765(14) 0.7543(8) 0.9627(4) 0.072(5) Uani 1 1 d . . .
H10M H 0.6276 0.7794 0.9567 0.086 Uiso 1 1 calc R . .
H10N H 0.6978 0.7533 0.9835 0.086 Uiso 1 1 calc R . .
C108 C 0.6529(14) 0.6954(7) 0.9517(4) 0.076(6) Uani 1 1 d . . .
H10O H 0.7021 0.6707 0.9562 0.091 Uiso 1 1 calc R . .
H10P H 0.6153 0.6784 0.9606 0.091 Uiso 1 1 calc R . .
C109 C 0.5814(14) 0.6445(7) 0.9116(5) 0.079(6) Uani 1 1 d . . .
H10Q H 0.5408 0.6325 0.9204 0.095 Uiso 1 1 calc R . .
H10R H 0.6258 0.6156 0.9165 0.095 Uiso 1 1 calc R . .
C110 C 0.5409(14) 0.6477(9) 0.8799(5) 0.082(6) Uani 1 1 d . . .
H11Q H 0.5136 0.6107 0.8730 0.099 Uiso 1 1 calc R . .
H11R H 0.4984 0.6780 0.8753 0.099 Uiso 1 1 calc R . .
C111 C 0.5590(10) 0.6602(7) 0.8366(4) 0.065(5) Uani 1 1 d . . .
H11A H 0.5182 0.6916 0.8309 0.078 Uiso 1 1 calc R . .
H11B H 0.5303 0.6233 0.8302 0.078 Uiso 1 1 calc R . .
C112 C 0.6226(13) 0.6687(7) 0.8234(3) 0.069(5) Uani 1 1 d . . .
H11C H 0.6643 0.6382 0.8301 0.083 Uiso 1 1 calc R . .
H11D H 0.5968 0.6641 0.8027 0.083 Uiso 1 1 calc R . .
C113 C 0.7415(10) 0.8422(6) 0.9556(3) 0.053(4) Uani 1 1 d . . .
H11E H 0.7416 0.8521 0.9747 0.063 Uiso 1 1 calc R . .
H11F H 0.7932 0.8566 0.9539 0.063 Uiso 1 1 calc R . .
C114 C 0.6716(10) 0.8717(7) 0.9344(3) 0.053(4) Uani 1 1 d . . .
H11G H 0.6195 0.8554 0.9349 0.064 Uiso 1 1 calc R . .
H11H H 0.6727 0.9132 0.9390 0.064 Uiso 1 1 calc R . .
C115 C 0.6129(9) 0.8926(6) 0.8861(3) 0.049(4) Uani 1 1 d . . .
H11I H 0.6091 0.9329 0.8918 0.059 Uiso 1 1 calc R . .
H11J H 0.5603 0.8732 0.8839 0.059 Uiso 1 1 calc R . .
C116 C 0.6300(10) 0.8909(6) 0.8585(3) 0.052(4) Uani 1 1 d . . .
H11K H 0.5917 0.9163 0.8444 0.062 Uiso 1 1 calc R . .
H11L H 0.6867 0.9036 0.8614 0.062 Uiso 1 1 calc R . .
C117 C 0.6366(12) 0.8271(6) 0.8246(3) 0.060(4) Uani 1 1 d . . .
H11M H 0.6960 0.8323 0.8286 0.072 Uiso 1 1 calc R . .
H11N H 0.6074 0.8570 0.8109 0.072 Uiso 1 1 calc R . .
C118 C 0.6113(13) 0.7689(7) 0.8119(4) 0.077(6) Uani 1 1 d . . .
H11O H 0.5538 0.7615 0.8104 0.093 Uiso 1 1 calc R . .
H11P H 0.6145 0.7679 0.7927 0.093 Uiso 1 1 calc R . .
K2 K 0.20237(18) 0.74826(12) 0.88848(5) 0.0379(6) Uani 1 1 d . . .
N21 N 0.1563(9) 0.7814(6) 0.8264(3) 0.058(3) Uani 1 1 d . . .
N22 N 0.2463(9) 0.7147(6) 0.9496(3) 0.065(4) Uani 1 1 d . . .
O21 O 0.3247(7) 0.7862(5) 0.8676(2) 0.057(3) Uani 1 1 d . . .
O22 O 0.3583(6) 0.7690(5) 0.9256(2) 0.054(3) Uani 1 1 d . . .
O23 O 0.1204(7) 0.6684(4) 0.8456(2) 0.051(3) Uani 1 1 d . . .
O24 O 0.1848(7) 0.6317(4) 0.90270(19) 0.052(3) Uani 1 1 d . . .
O25 O 0.0895(7) 0.8379(5) 0.8662(2) 0.061(3) Uani 1 1 d . . .
O26 O 0.1151(8) 0.7934(5) 0.9218(2) 0.063(3) Uani 1 1 d . . .
C201 C 0.2319(12) 0.7875(8) 0.8198(4) 0.071(5) Uani 1 1 d . . .
H20A H 0.2192 0.8075 0.8015 0.085 Uiso 1 1 calc R . .
H20B H 0.2526 0.7487 0.8176 0.085 Uiso 1 1 calc R . .
C202 C 0.2984(12) 0.8200(7) 0.8418(3) 0.065(5) Uani 1 1 d . . .
H20C H 0.3451 0.8267 0.8352 0.078 Uiso 1 1 calc R . .
H20D H 0.2774 0.8577 0.8453 0.078 Uiso 1 1 calc R . .
C203 C 0.3891(13) 0.8163(9) 0.8883(4) 0.082(6) Uani 1 1 d . . .
H20E H 0.3684 0.8531 0.8931 0.098 Uiso 1 1 calc R . .
H20F H 0.4340 0.8247 0.8810 0.098 Uiso 1 1 calc R . .
C204 C 0.4191(11) 0.7794(9) 0.9136(4) 0.074(5) Uani 1 1 d . . .
H20G H 0.4380 0.7423 0.9084 0.089 Uiso 1 1 calc R . .
H20H H 0.4665 0.7982 0.9278 0.089 Uiso 1 1 calc R . .
C205 C 0.3885(13) 0.7382(9) 0.9501(4) 0.088(7) Uani 1 1 d . . .
H20I H 0.4417 0.7543 0.9621 0.105 Uiso 1 1 calc R . .
H20J H 0.3971 0.6976 0.9458 0.105 Uiso 1 1 calc R . .
C206 C 0.3267(13) 0.7416(9) 0.9653(4) 0.082(7) Uani 1 1 d . . .
H20K H 0.3499 0.7225 0.9839 0.098 Uiso 1 1 calc R . .
H20L H 0.3177 0.7825 0.9688 0.098 Uiso 1 1 calc R . .
C207 C 0.1038(12) 0.7378(7) 0.8092(3) 0.064(5) Uani 1 1 d . . .
H20M H 0.1028 0.7417 0.7895 0.076 Uiso 1 1 calc R . .
H20N H 0.0473 0.7433 0.8092 0.076 Uiso 1 1 calc R . .
C208 C 0.1333(11) 0.6775(7) 0.8200(3) 0.056(4) Uani 1 1 d . . .
H20Q H 0.1029 0.6484 0.8060 0.068 Uiso 1 1 calc R . .
H20R H 0.1922 0.6736 0.8227 0.068 Uiso 1 1 calc R . .
C209 C 0.1342(11) 0.6095(6) 0.8550(4) 0.057(4) Uani 1 1 d . . .
H20O H 0.0963 0.5839 0.8408 0.068 Uiso 1 1 calc R . .
H20P H 0.1910 0.5982 0.8571 0.068 Uiso 1 1 calc R . .
C210 C 0.1213(11) 0.6035(7) 0.8814(4) 0.064(5) Uani 1 1 d . . .
H21A H 0.0678 0.6204 0.8801 0.077 Uiso 1 1 calc R . .
H21B H 0.1205 0.5622 0.8861 0.077 Uiso 1 1 calc R . .
C211 C 0.1835(14) 0.6212(7) 0.9301(4) 0.079(6) Uani 1 1 d . . .
H21C H 0.1880 0.5793 0.9339 0.095 Uiso 1 1 calc R . .
H21D H 0.1306 0.6344 0.9313 0.095 Uiso 1 1 calc R . .
C212 C 0.2539(12) 0.6522(7) 0.9527(3) 0.070(5) Uani 1 1 d . . .
H21E H 0.2538 0.6412 0.9716 0.084 Uiso 1 1 calc R . .
H21F H 0.3067 0.6400 0.9511 0.084 Uiso 1 1 calc R . .
C213 C 0.1089(13) 0.8377(7) 0.8225(3) 0.072(6) Uani 1 1 d . . .
H21Q H 0.1482 0.8695 0.8298 0.087 Uiso 1 1 calc R . .
H21R H 0.0812 0.8444 0.8021 0.087 Uiso 1 1 calc R . .
C214 C 0.0474(10) 0.8399(7) 0.8365(4) 0.064(5) Uani 1 1 d . . .
H21G H 0.0151 0.8757 0.8314 0.076 Uiso 1 1 calc R . .
H21H H 0.0096 0.8068 0.8305 0.076 Uiso 1 1 calc R . .
C215 C 0.0357(13) 0.8478(9) 0.8821(4) 0.081(6) Uani 1 1 d . . .
H21I H 0.0079 0.8852 0.8765 0.098 Uiso 1 1 calc R . .
H21J H -0.0067 0.8175 0.8776 0.098 Uiso 1 1 calc R . .
C216 C 0.0791(14) 0.8478(8) 0.9115(5) 0.079(6) Uani 1 1 d . . .
H21K H 0.0412 0.8587 0.9215 0.095 Uiso 1 1 calc R . .
H21L H 0.1229 0.8772 0.9158 0.095 Uiso 1 1 calc R . .
C217 C 0.1535(13) 0.7942(8) 0.9516(4) 0.073(5) Uani 1 1 d . . .
H21M H 0.1139 0.8065 0.9608 0.087 Uiso 1 1 calc R . .
H21N H 0.1999 0.8215 0.9570 0.087 Uiso 1 1 calc R . .
C218 C 0.1838(12) 0.7338(8) 0.9610(3) 0.072(6) Uani 1 1 d . . .
H21O H 0.2067 0.7327 0.9819 0.086 Uiso 1 1 calc R . .
H21P H 0.1369 0.7069 0.9549 0.086 Uiso 1 1 calc R . .
K3 K 0.09358(18) 0.63536(13) 0.58693(6) 0.0435(7) Uani 1 1 d . . .
N31 N 0.2368(9) 0.5593(7) 0.5946(3) 0.063(4) Uani 1 1 d . . .
N32 N -0.0538(9) 0.7095(7) 0.5774(3) 0.063(4) Uani 1 1 d . . .
O31 O 0.2080(7) 0.6588(6) 0.5588(3) 0.074(4) Uani 1 1 d . . .
O32 O 0.0533(8) 0.7159(5) 0.5434(3) 0.065(3) Uani 1 1 d . . .
O33 O 0.2156(7) 0.6329(4) 0.6384(2) 0.054(3) Uani 1 1 d . . .
O34 O 0.0922(8) 0.7163(5) 0.6295(2) 0.063(3) Uani 1 1 d . . .
O35 O 0.0731(10) 0.5175(5) 0.5776(3) 0.075(4) Uani 1 1 d . . .
O36 O -0.0611(8) 0.5840(6) 0.5792(3) 0.081(4) Uani 1 1 d . . .
C301 C 0.2973(12) 0.5872(9) 0.5827(4) 0.080(6) Uani 1 1 d . . .
H30A H 0.3284 0.6174 0.5957 0.095 Uiso 1 1 calc R . .
H30B H 0.3367 0.5580 0.5809 0.095 Uiso 1 1 calc R . .
C302 C 0.2539(13) 0.6132(9) 0.5543(5) 0.088(7) Uani 1 1 d . . .
H30C H 0.2939 0.6270 0.5457 0.106 Uiso 1 1 calc R . .
H30D H 0.2178 0.5845 0.5416 0.106 Uiso 1 1 calc R . .
C303 C 0.1740(15) 0.6929(10) 0.5328(4) 0.096(8) Uani 1 1 d . . .
H30E H 0.2190 0.7082 0.5270 0.115 Uiso 1 1 calc R . .
H30F H 0.1392 0.6681 0.5174 0.115 Uiso 1 1 calc R . .
C304 C 0.1274(14) 0.7382(8) 0.5374(5) 0.079(6) Uani 1 1 d . . .
H30G H 0.1096 0.7633 0.5206 0.095 Uiso 1 1 calc R . .
H30H H 0.1614 0.7615 0.5536 0.095 Uiso 1 1 calc R . .
C305 C 0.0010(11) 0.7614(9) 0.5449(4) 0.074(6) Uani 1 1 d . . .
H30I H -0.0164 0.7834 0.5271 0.088 Uiso 1 1 calc R . .
H30J H 0.0303 0.7878 0.5604 0.088 Uiso 1 1 calc R . .
C306 C -0.0717(11) 0.7368(9) 0.5500(4) 0.069(5) Uani 1 1 d . . .
H30K H -0.1120 0.7679 0.5482 0.083 Uiso 1 1 calc R . .
H30L H -0.0973 0.7081 0.5352 0.083 Uiso 1 1 calc R . .
C307 C 0.2774(11) 0.5534(7) 0.6252(3) 0.065(5) Uani 1 1 d . . .
H30M H 0.3311 0.5347 0.6288 0.077 Uiso 1 1 calc R . .
H30N H 0.2440 0.5276 0.6326 0.077 Uiso 1 1 calc R . .
C308 C 0.2907(9) 0.6084(7) 0.6414(3) 0.056(4) Uani 1 1 d . . .
H30O H 0.3210 0.6009 0.6616 0.067 Uiso 1 1 calc R . .
H30P H 0.3235 0.6351 0.6343 0.067 Uiso 1 1 calc R . .
C309 C 0.2202(13) 0.6812(7) 0.6554(4) 0.076(6) Uani 1 1 d . . .
H30Q H 0.2427 0.7137 0.6477 0.091 Uiso 1 1 calc R . .
H30R H 0.2589 0.6729 0.6746 0.091 Uiso 1 1 calc R . .
C310 C 0.1446(12) 0.6981(8) 0.6576(3) 0.068(5) Uani 1 1 d . . .
H31A H 0.1527 0.7301 0.6712 0.081 Uiso 1 1 calc R . .
H31B H 0.1192 0.6656 0.6643 0.081 Uiso 1 1 calc R . .
C311 C 0.0130(12) 0.7331(9) 0.6294(3) 0.069(5) Uani 1 1 d . . .
H31C H 0.0182 0.7629 0.6439 0.083 Uiso 1 1 calc R . .
H31D H -0.0157 0.6996 0.6338 0.083 Uiso 1 1 calc R . .
C312 C -0.0352(13) 0.7563(9) 0.6007(4) 0.085(7) Uani 1 1 d . . .
H31E H -0.0040 0.7879 0.5959 0.102 Uiso 1 1 calc R . .
H31F H -0.0874 0.7725 0.6012 0.102 Uiso 1 1 calc R . .
C313 C 0.2087(16) 0.5011(11) 0.5822(5) 0.112(9) Uani 1 1 d . . .
H31G H 0.2545 0.4735 0.5892 0.135 Uiso 1 1 calc R . .
H31H H 0.1933 0.5032 0.5614 0.135 Uiso 1 1 calc R . .
C314 C 0.1349(15) 0.4788(7) 0.5897(5) 0.087(7) Uani 1 1 d . . .
H31I H 0.1189 0.4398 0.5819 0.104 Uiso 1 1 calc R . .
H31J H 0.1481 0.4774 0.6104 0.104 Uiso 1 1 calc R . .
C315 C 0.0008(16) 0.4961(10) 0.5820(6) 0.104(9) Uani 1 1 d . . .
H31Q H 0.0090 0.4964 0.6024 0.125 Uiso 1 1 calc R . .
H31R H -0.0090 0.4559 0.5753 0.125 Uiso 1 1 calc R . .
C316 C -0.0699(16) 0.5309(11) 0.5671(5) 0.104(9) Uani 1 1 d . . .
H31K H -0.0748 0.5344 0.5471 0.125 Uiso 1 1 calc R . .
H31L H -0.1203 0.5124 0.5680 0.125 Uiso 1 1 calc R . .
C317 C -0.1298(12) 0.6208(12) 0.5652(4) 0.102(9) Uani 1 1 d . . .
H31M H -0.1810 0.6025 0.5654 0.122 Uiso 1 1 calc R . .
H31N H -0.1339 0.6261 0.5453 0.122 Uiso 1 1 calc R . .
C318 C -0.1199(10) 0.6761(10) 0.5790(4) 0.075(6) Uani 1 1 d . . .
H31O H -0.1711 0.6983 0.5706 0.089 Uiso 1 1 calc R . .
H31P H -0.1126 0.6698 0.5991 0.089 Uiso 1 1 calc R . .
K4 K 0.22114(19) 0.90139(13) 0.70215(7) 0.0482(7) Uani 1 1 d . . .
N41 N 0.0806(9) 0.9770(6) 0.6670(3) 0.058(3) Uani 1 1 d . . .
N42 N 0.3606(7) 0.8278(6) 0.7382(3) 0.062(4) Uani 1 1 d . . .
O41 O 0.2260(7) 1.0242(4) 0.7115(2) 0.056(3) Uani 1 1 d . . .
O42 O 0.3579(7) 0.9535(5) 0.7403(3) 0.068(3) Uani 1 1 d . . .
O43 O 0.1745(7) 0.8997(5) 0.6434(3) 0.066(3) Uani 1 1 d . . .
O44 O 0.2948(7) 0.8214(4) 0.6757(2) 0.060(3) Uani 1 1 d . . .
O45 O 0.0636(6) 0.8799(4) 0.7024(2) 0.048(2) Uani 1 1 d . . .
O46 O 0.1942(6) 0.8182(4) 0.7406(2) 0.045(2) Uani 1 1 d . . .
C401 C 0.0920(11) 1.0363(6) 0.6788(3) 0.057(4) Uani 1 1 d . . .
H40A H 0.0736 1.0375 0.6954 0.068 Uiso 1 1 calc R . .
H40B H 0.0571 1.0631 0.6645 0.068 Uiso 1 1 calc R . .
C402 C 0.1792(11) 1.0565(6) 0.6876(4) 0.060(4) Uani 1 1 d . . .
H40C H 0.2009 1.0510 0.6720 0.072 Uiso 1 1 calc R . .
H40D H 0.1824 1.0979 0.6924 0.072 Uiso 1 1 calc R . .
C403 C 0.3110(10) 1.0427(7) 0.7212(4) 0.061(4) Uani 1 1 d . . .
H40E H 0.3360 1.0340 0.7067 0.074 Uiso 1 1 calc R . .
H40F H 0.3141 1.0847 0.7245 0.074 Uiso 1 1 calc R . .
C404 C 0.3547(11) 1.0128(7) 0.7472(4) 0.065(5) Uani 1 1 d . . .
H40G H 0.4108 1.0284 0.7556 0.077 Uiso 1 1 calc R . .
H40H H 0.3259 1.0174 0.7610 0.077 Uiso 1 1 calc R . .
C405 C 0.4067(9) 0.9203(8) 0.7639(5) 0.080(6) Uani 1 1 d . . .
H40I H 0.3747 0.9093 0.7761 0.096 Uiso 1 1 calc R . .
H40J H 0.4556 0.9422 0.7754 0.096 Uiso 1 1 calc R . .
C406 C 0.4316(10) 0.8668(9) 0.7507(5) 0.093(8) Uani 1 1 d . . .
H40K H 0.4537 0.8790 0.7359 0.112 Uiso 1 1 calc R . .
H40L H 0.4753 0.8459 0.7654 0.112 Uiso 1 1 calc R . .
C407 C 0.0792(11) 0.9792(7) 0.6385(3) 0.067(5) Uani 1 1 d . . .
H40M H 0.1244 1.0039 0.6374 0.080 Uiso 1 1 calc R . .
H40N H 0.0270 0.9965 0.6264 0.080 Uiso 1 1 calc R . .
C408 C 0.0881(14) 0.9184(8) 0.6272(4) 0.078(6) Uani 1 1 d . . .
H40O H 0.0481 0.8915 0.6305 0.094 Uiso 1 1 calc R . .
H40P H 0.0789 0.9197 0.6068 0.094 Uiso 1 1 calc R . .
C409 C 0.1930(11) 0.8514(7) 0.6319(3) 0.057(4) Uani 1 1 d . . .
H40Q H 0.1817 0.8574 0.6115 0.068 Uiso 1 1 calc R . .
H40R H 0.1584 0.8193 0.6342 0.068 Uiso 1 1 calc R . .
C410 C 0.2834(12) 0.8363(7) 0.6463(4) 0.069(5) Uani 1 1 d . . .
H41A H 0.2986 0.8034 0.6367 0.083 Uiso 1 1 calc R . .
H41B H 0.3183 0.8695 0.6456 0.083 Uiso 1 1 calc R . .
C411 C 0.3808(11) 0.8109(8) 0.6915(4) 0.073(5) Uani 1 1 d . . .
H41C H 0.4123 0.8471 0.6938 0.088 Uiso 1 1 calc R . .
H41D H 0.4036 0.7830 0.6813 0.088 Uiso 1 1 calc R . .
C412 C 0.3859(11) 0.7870(8) 0.7200(4) 0.069(5) Uani 1 1 d . . .
H41E H 0.3510 0.7524 0.7170 0.083 Uiso 1 1 calc R . .
H41F H 0.4430 0.7749 0.7301 0.083 Uiso 1 1 calc R . .
C413 C 0.0035(11) 0.9519(7) 0.6675(4) 0.069(5) Uani 1 1 d . . .
H41G H -0.0125 0.9204 0.6536 0.083 Uiso 1 1 calc R . .
H41H H -0.0398 0.9816 0.6616 0.083 Uiso 1 1 calc R . .
C414 C 0.0071(10) 0.9282(8) 0.6965(3) 0.062(4) Uani 1 1 d . . .
H41I H 0.0269 0.9581 0.7112 0.075 Uiso 1 1 calc R . .
H41J H -0.0478 0.9155 0.6959 0.075 Uiso 1 1 calc R . .
C415 C 0.0577(9) 0.8484(6) 0.7259(3) 0.048(3) Uani 1 1 d . . .
H41K H 0.0006 0.8357 0.7222 0.057 Uiso 1 1 calc R . .
H41L H 0.0742 0.8730 0.7430 0.057 Uiso 1 1 calc R . .
C416 C 0.1118(8) 0.7985(6) 0.7305(3) 0.040(3) Uani 1 1 d . . .
H41M H 0.1018 0.7723 0.7444 0.048 Uiso 1 1 calc R . .
H41N H 0.1012 0.7773 0.7126 0.048 Uiso 1 1 calc R . .
C417 C 0.2518(10) 0.7718(6) 0.7466(3) 0.053(4) Uani 1 1 d . . .
H41O H 0.2460 0.7503 0.7291 0.064 Uiso 1 1 calc R . .
H41P H 0.2410 0.7450 0.7602 0.064 Uiso 1 1 calc R . .
C418 C 0.3373(10) 0.7956(7) 0.7589(3) 0.057(4) Uani 1 1 d . . .
H41Q H 0.3406 0.8210 0.7750 0.069 Uiso 1 1 calc R . .
H41R H 0.3763 0.7636 0.7661 0.069 Uiso 1 1 calc R . .
K5 K 0.72481(19) 0.62254(13) 0.69175(6) 0.0471(7) Uani 1 1 d . . .
N51 N 0.8761(8) 0.6750(6) 0.7309(3) 0.058(3) Uani 1 1 d . . .
N52 N 0.5701(9) 0.5760(6) 0.6513(3) 0.086(5) Uani 1 1 d D . .
O51 O 0.7174(6) 0.6898(4) 0.7407(2) 0.050(2) Uani 1 1 d . . .
O52 O 0.5750(6) 0.6560(6) 0.6980(2) 0.070(4) Uani 1 1 d . . .
O53 O 0.8498(7) 0.5501(5) 0.7204(3) 0.071(3) Uani 1 1 d . . .
O54 O 0.6976(7) 0.5005(5) 0.6908(3) 0.076(3) Uani 1 1 d D . .
O55 O 0.8159(8) 0.7013(5) 0.6705(2) 0.068(3) Uani 1 1 d . . .
O56 O 0.6872(7) 0.6413(6) 0.6333(2) 0.070(4) Uani 1 1 d . . .
C501 C 0.8643(12) 0.6945(10) 0.7567(3) 0.081(7) Uani 1 1 d . . .
H50A H 0.9116 0.7183 0.7676 0.097 Uiso 1 1 calc R . .
H50B H 0.8619 0.6607 0.7684 0.097 Uiso 1 1 calc R . .
C502 C 0.7867(13) 0.7289(7) 0.7505(4) 0.077(6) Uani 1 1 d . . .
H50C H 0.7863 0.7490 0.7678 0.092 Uiso 1 1 calc R . .
H50D H 0.7834 0.7581 0.7359 0.092 Uiso 1 1 calc R . .
C503 C 0.6427(12) 0.7181(7) 0.7352(3) 0.067(5) Uani 1 1 d . . .
H50E H 0.6365 0.7486 0.7209 0.081 Uiso 1 1 calc R . .
H50F H 0.6400 0.7361 0.7527 0.081 Uiso 1 1 calc R . .
C504 C 0.5779(12) 0.6753(8) 0.7248(3) 0.074(6) Uani 1 1 d . . .
H50G H 0.5887 0.6424 0.7380 0.088 Uiso 1 1 calc R . .
H50H H 0.5246 0.6924 0.7235 0.088 Uiso 1 1 calc R . .
C505 C 0.5048(12) 0.6189(13) 0.6848(5) 0.126(12) Uani 1 1 d . . .
H50I H 0.4536 0.6388 0.6838 0.151 Uiso 1 1 calc R . .
H50J H 0.5094 0.5833 0.6960 0.151 Uiso 1 1 calc R . .
C506 C 0.5041(10) 0.6047(12) 0.6554(5) 0.123(10) Uani 1 1 d U . .
H50K H 0.4546 0.5812 0.6463 0.147 Uiso 1 1 calc R . .
H50L H 0.4966 0.6413 0.6448 0.147 Uiso 1 1 calc R . .
C507 C 0.9363(10) 0.6289(9) 0.7388(4) 0.076(6) Uani 1 1 d . . .
H50M H 0.9817 0.6413 0.7558 0.091 Uiso 1 1 calc R . .
H50N H 0.9592 0.6241 0.7235 0.091 Uiso 1 1 calc R . .
C508 C 0.9072(12) 0.5716(10) 0.7448(4) 0.084(7) Uani 1 1 d . . .
H50O H 0.9541 0.5448 0.7516 0.101 Uiso 1 1 calc R . .
H50P H 0.8824 0.5753 0.7597 0.101 Uiso 1 1 calc R . .
C509 C 0.8302(12) 0.4898(9) 0.7235(5) 0.086(7) Uani 1 1 d . . .
H50Q H 0.8107 0.4861 0.7398 0.103 Uiso 1 1 calc R . .
H50R H 0.8803 0.4662 0.7275 0.103 Uiso 1 1 calc R . .
C510 C 0.7645(19) 0.4673(8) 0.6970(6) 0.109(9) Uani 1 1 d . . .
H51A H 0.7856 0.4675 0.6811 0.131 Uiso 1 1 calc R . .
H51B H 0.7503 0.4273 0.7001 0.131 Uiso 1 1 calc R . .
C511 C 0.6309(12) 0.4810(6) 0.6660(4) 0.094(7) Uani 1 1 d D . .
H51C H 0.6141 0.4419 0.6695 0.113 Uiso 1 1 calc R . .
H51D H 0.6503 0.4791 0.6497 0.113 Uiso 1 1 calc R . .
C512 C 0.5603(10) 0.5196(7) 0.6593(4) 0.078(5) Uiso 1 1 d D . .
H51E H 0.5151 0.5018 0.6439 0.093 Uiso 1 1 calc R . .
H51F H 0.5427 0.5214 0.6760 0.093 Uiso 1 1 calc R . .
C513 C 0.9036(11) 0.7206(8) 0.7182(4) 0.066(5) Uani 1 1 d . . .
H51G H 0.9611 0.7294 0.7296 0.079 Uiso 1 1 calc R . .
H51H H 0.8705 0.7552 0.7183 0.079 Uiso 1 1 calc R . .
C514 C 0.8989(12) 0.7084(8) 0.6878(4) 0.072(5) Uani 1 1 d . . .
H51I H 0.9235 0.7406 0.6807 0.086 Uiso 1 1 calc R . .
H51J H 0.9301 0.6730 0.6873 0.086 Uiso 1 1 calc R . .
C515 C 0.8113(13) 0.6910(10) 0.6414(4) 0.089(7) Uani 1 1 d . . .
H51K H 0.8395 0.7221 0.6348 0.107 Uiso 1 1 calc R . .
H51L H 0.8374 0.6539 0.6398 0.107 Uiso 1 1 calc R . .
C516 C 0.7256(14) 0.6900(7) 0.6249(4) 0.082(7) Uani 1 1 d . . .
H51M H 0.7187 0.6869 0.6046 0.098 Uiso 1 1 calc R . .
H51N H 0.6994 0.7261 0.6278 0.098 Uiso 1 1 calc R . .
C517 C 0.6065(13) 0.6352(9) 0.6161(3) 0.082(6) Uani 1 1 d . . .
H51O H 0.6030 0.6346 0.5961 0.098 Uiso 1 1 calc R . .
H51P H 0.5739 0.6681 0.6189 0.098 Uiso 1 1 calc R . .
C518 C 0.5727(13) 0.5797(9) 0.6233(3) 0.076(6) Uani 1 1 d . . .
H51Q H 0.5165 0.5745 0.6099 0.091 Uiso 1 1 calc R . .
H51R H 0.6063 0.5475 0.6205 0.091 Uiso 1 1 calc R . .
K6 K 0.4173(2) 0.35746(15) 0.90846(7) 0.0553(8) Uani 1 1 d . . .
N61 N 0.5842(9) 0.3041(6) 0.9251(3) 0.066(4) Uani 1 1 d . . .
N62 N 0.2514(11) 0.4052(8) 0.8894(4) 0.094(6) Uani 1 1 d D . .
O61 O 0.4629(7) 0.2827(5) 0.8690(2) 0.059(3) Uani 1 1 d . . .
O62 O 0.3174(6) 0.3404(6) 0.8531(3) 0.076(4) Uani 1 1 d D . .
O63 O 0.5559(8) 0.4285(5) 0.9213(3) 0.073(4) Uani 1 1 d . . .
O64 O 0.4009(11) 0.4749(6) 0.9148(4) 0.115(7) Uani 1 1 d . . .
O65 O 0.4651(11) 0.2892(6) 0.9561(3) 0.092(5) Uani 1 1 d . . .
O66 O 0.2967(12) 0.3175(11) 0.9327(3) 0.153(10) Uani 1 1 d U . .
C601 C 0.5877(13) 0.2598(9) 0.9057(4) 0.086(6) Uani 1 1 d . . .
H60A H 0.5589 0.2253 0.9090 0.103 Uiso 1 1 calc R . .
H60B H 0.6456 0.2492 0.9094 0.103 Uiso 1 1 calc R . .
C602 C 0.5503(12) 0.2777(8) 0.8756(4) 0.071(5) Uani 1 1 d . . .
H60C H 0.5733 0.3151 0.8726 0.085 Uiso 1 1 calc R . .
H60D H 0.5625 0.2488 0.8632 0.085 Uiso 1 1 calc R . .
C603 C 0.4268(12) 0.3050(9) 0.8412(3) 0.074(5) Uani 1 1 d . . .
H60E H 0.4407 0.2806 0.8274 0.089 Uiso 1 1 calc R . .
H60F H 0.4467 0.3445 0.8401 0.089 Uiso 1 1 calc R . .
C604 C 0.3382(12) 0.3052(9) 0.8354(3) 0.070(5) Uani 1 1 d . . .
H60G H 0.3100 0.3178 0.8158 0.084 Uiso 1 1 calc R . .
H60H H 0.3198 0.2657 0.8374 0.084 Uiso 1 1 calc R . .
C605 C 0.2332(9) 0.3530(8) 0.8457(4) 0.086(7) Uani 1 1 d D . .
H60I H 0.2055 0.3199 0.8510 0.104 Uiso 1 1 calc R . .
H60J H 0.2097 0.3577 0.8250 0.104 Uiso 1 1 calc R . .
C606 C 0.2158(10) 0.4042(7) 0.8590(4) 0.066(5) Uani 1 1 d D . .
H60K H 0.2360 0.4380 0.8514 0.080 Uiso 1 1 calc R . .
H60L H 0.1557 0.4082 0.8537 0.080 Uiso 1 1 calc R . .
C607 C 0.6464(10) 0.3475(9) 0.9260(4) 0.081(6) Uani 1 1 d . . .
H60M H 0.6461 0.3549 0.9067 0.097 Uiso 1 1 calc R . .
H60N H 0.7011 0.3325 0.9373 0.097 Uiso 1 1 calc R . .
C608 C 0.6309(15) 0.4035(10) 0.9391(4) 0.091(7) Uani 1 1 d . . .
H60O H 0.6277 0.3960 0.9580 0.109 Uiso 1 1 calc R . .
H60P H 0.6767 0.4306 0.9412 0.109 Uiso 1 1 calc R . .
C609 C 0.5427(18) 0.4834(11) 0.9313(6) 0.112(9) Uani 1 1 d U . .
H60Q H 0.5890 0.5092 0.9324 0.134 Uiso 1 1 calc R . .
H60R H 0.5394 0.4797 0.9505 0.134 Uiso 1 1 calc R . .
C610 C 0.4658(17) 0.5079(10) 0.9120(6) 0.101(8) Uani 1 1 d U . .
H61A H 0.4604 0.5485 0.9169 0.121 Uiso 1 1 calc R . .
H61B H 0.4653 0.5063 0.8923 0.121 Uiso 1 1 calc R . .
C611 C 0.3209(18) 0.5007(10) 0.8974(8) 0.154(15) Uani 1 1 d . . .
H61C H 0.3140 0.5000 0.8771 0.184 Uiso 1 1 calc R . .
H61D H 0.3158 0.5408 0.9032 0.184 Uiso 1 1 calc R . .
C612 C 0.2583(17) 0.4607(12) 0.9040(8) 0.144(13) Uani 1 1 d . . .
H61O H 0.2757 0.4541 0.9245 0.172 Uiso 1 1 calc R . .
H61P H 0.2041 0.4796 0.8980 0.172 Uiso 1 1 calc R . .
C613 C 0.5978(12) 0.2763(9) 0.9530(4) 0.083(6) Uani 1 1 d . . .
H61E H 0.6411 0.2468 0.9561 0.099 Uiso 1 1 calc R . .
H61F H 0.6184 0.3057 0.9679 0.099 Uiso 1 1 calc R . .
C614 C 0.5242(14) 0.2485(8) 0.9563(4) 0.080(6) Uani 1 1 d . . .
H61G H 0.5007 0.2209 0.9407 0.096 Uiso 1 1 calc R . .
H61H H 0.5405 0.2269 0.9742 0.096 Uiso 1 1 calc R . .
C615 C 0.394(2) 0.2604(12) 0.9617(6) 0.133(10) Uani 1 1 d U . .
H61Q H 0.3715 0.2302 0.9474 0.160 Uiso 1 1 calc R . .
H61R H 0.4145 0.2416 0.9804 0.160 Uiso 1 1 calc R . .
C616 C 0.334(2) 0.2985(15) 0.9611(6) 0.152(12) Uani 1 1 d U . .
H61I H 0.3568 0.3316 0.9736 0.183 Uiso 1 1 calc R . .
H61J H 0.2923 0.2796 0.9677 0.183 Uiso 1 1 calc R . .
C617 C 0.2376(19) 0.3613(16) 0.9330(7) 0.149(11) Uani 1 1 d U . .
H61K H 0.2649 0.3958 0.9435 0.179 Uiso 1 1 calc R . .
H61L H 0.1976 0.3466 0.9414 0.179 Uiso 1 1 calc R . .
C618 C 0.1987(18) 0.3739(15) 0.9032(7) 0.150(11) Uani 1 1 d U . .
H61M H 0.1492 0.3973 0.9009 0.180 Uiso 1 1 calc R . .
H61N H 0.1804 0.3373 0.8931 0.180 Uiso 1 1 calc R . .
N1E N 0.7814(10) 0.4506(8) 0.6251(3) 0.079(5) Uani 1 1 d . . .
H1E1 H 0.7912 0.4125 0.6237 0.118 Uiso 0.67 1 calc PR . .
H1E2 H 0.7473 0.4636 0.6082 0.118 Uiso 0.67 1 calc PR . .
H1E3 H 0.7576 0.4559 0.6384 0.118 Uiso 0.67 1 calc PR . .
C1E C 0.8612(19) 0.4833(12) 0.6333(7) 0.134(11) Uani 1 1 d . . .
H1E4 H 0.8991 0.4675 0.6512 0.161 Uiso 1 1 calc R . .
H1E5 H 0.8864 0.4777 0.6186 0.161 Uiso 1 1 calc R . .
C2E C 0.852(2) 0.5383(10) 0.6364(6) 0.136(13) Uani 1 1 d . . .
H2E1 H 0.8307 0.5441 0.6522 0.163 Uiso 1 1 calc R . .
H2E2 H 0.8103 0.5535 0.6191 0.163 Uiso 1 1 calc R . .
N2E N 0.9311(9) 0.5720(6) 0.6423(3) 0.068(4) Uani 1 1 d . . .
H2E3 H 0.9212 0.6101 0.6438 0.102 Uiso 0.67 1 calc PR . .
H2E4 H 0.9510 0.5664 0.6280 0.102 Uiso 0.67 1 calc PR . .
H2E5 H 0.9684 0.5595 0.6588 0.102 Uiso 0.67 1 calc PR . .
N1S N 0.5762(9) 0.4415(5) 0.8599(3) 0.063(4) Uani 1 1 d . . .
H1S1 H 0.5497 0.4284 0.8715 0.094 Uiso 0.67 1 calc PR . .
H1S2 H 0.6032 0.4120 0.8552 0.094 Uiso 0.67 1 calc PR . .
H1S3 H 0.5391 0.4565 0.8441 0.094 Uiso 0.67 1 calc PR . .
C1S C 0.6371(17) 0.4879(9) 0.8750(6) 0.106(8) Uani 1 1 d . . .
H1S4 H 0.6077 0.5193 0.8808 0.127 Uiso 1 1 calc R . .
H1S5 H 0.6773 0.4714 0.8923 0.127 Uiso 1 1 calc R . .
C2S C 0.6783(14) 0.5104(8) 0.8580(4) 0.077(6) Uani 1 1 d . . .
H2S1 H 0.6380 0.5262 0.8406 0.093 Uiso 1 1 calc R . .
H2S2 H 0.7084 0.4791 0.8524 0.093 Uiso 1 1 calc R . .
N2S N 0.7372(10) 0.5565(7) 0.8725(3) 0.074(4) Uani 1 1 d . . .
H2S3 H 0.7635 0.5696 0.8609 0.110 Uiso 0.67 1 calc PR . .
H2S4 H 0.7744 0.5421 0.8885 0.110 Uiso 0.67 1 calc PR . .
H2S5 H 0.7094 0.5860 0.8770 0.110 Uiso 0.67 1 calc PR . .
N1R N 0.034(4) 0.608(3) 0.480(2) 0.37(5) Uiso 0.50 1 d PDU C -1
H1R1 H 0.0218 0.6455 0.4742 0.557 Uiso 0.33 1 calc PR C -1
H1R2 H 0.0352 0.5870 0.4648 0.557 Uiso 0.33 1 calc PR C -1
H1R3 H 0.0831 0.6067 0.4937 0.557 Uiso 0.33 1 calc PR C -1
C1R C -0.029(2) 0.5859(12) 0.4899(9) 0.077(11) Uiso 0.50 1 d PDU C -1
H1R4 H -0.0824 0.5874 0.4746 0.092 Uiso 0.50 1 calc PR C -1
H1R5 H -0.0321 0.6104 0.5055 0.092 Uiso 0.50 1 calc PR C -1
C2R C -0.011(2) 0.5265(16) 0.4999(14) 0.13(2) Uiso 0.50 1 d PD C -1
H2R1 H 0.0168 0.5068 0.4884 0.161 Uiso 0.50 1 calc PR C -1
H2R2 H 0.0265 0.5271 0.5196 0.161 Uiso 0.50 1 calc PR C -1
N2R N -0.082(2) 0.4940(15) 0.4987(9) 0.118(14) Uiso 0.50 1 d PD C -1
H2R3 H -0.0668 0.4576 0.5048 0.177 Uiso 0.33 1 calc PR C -1
H2R4 H -0.1173 0.4931 0.4807 0.177 Uiso 0.33 1 calc PR C -1
H2R5 H -0.1069 0.5107 0.5100 0.177 Uiso 0.33 1 calc PR C -1
N1T N 0.598(4) 0.552(2) 1.0080(15) 0.24(3) Uiso 0.50 1 d PDU D -1
H1T1 H 0.6517 0.5601 1.0112 0.355 Uiso 0.33 1 calc PR D -1
H1T2 H 0.5794 0.5753 1.0192 0.355 Uiso 0.33 1 calc PR D -1
H1T3 H 0.5685 0.5596 0.9896 0.355 Uiso 0.33 1 calc PR D -1
C1T C 0.589(2) 0.4936(19) 1.0143(13) 0.14(2) Uiso 0.50 1 d PDU D -1
H1T4 H 0.6120 0.4888 1.0350 0.170 Uiso 0.50 1 calc PR D -1
H1T5 H 0.6225 0.4703 1.0060 0.170 Uiso 0.50 1 calc PR D -1
C2T C 0.508(2) 0.4694(18) 1.0050(15) 0.15(3) Uiso 0.50 1 d PD D -1
H2T1 H 0.4845 0.4730 0.9843 0.178 Uiso 0.50 1 calc PR D -1
H2T2 H 0.4735 0.4923 1.0132 0.178 Uiso 0.50 1 calc PR D -1
N2T N 0.504(3) 0.4095(16) 1.0125(11) 0.138(18) Uiso 0.50 1 d PD D -1
H2T4 H 0.4527 0.4015 1.0127 0.207 Uiso 0.33 1 calc PR D -1
H2T5 H 0.5411 0.4027 1.0299 0.207 Uiso 0.33 1 calc PR D -1
H2T6 H 0.5149 0.3866 0.9996 0.207 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
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'
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'
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'
Pb Pb -3.3944 10.1111 '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
Pb10 Mn1 Pb12 113.93(6) . .
Pb10 Mn1 Pb11 179.69(8) . .
Pb12 Mn1 Pb11 65.77(4) . .
Pb10 Mn1 Pb9 65.67(4) . .
Pb12 Mn1 Pb9 179.44(7) . .
Pb11 Mn1 Pb9 114.62(6) . .
Pb10 Mn1 Pb5 115.81(6) . .
Pb12 Mn1 Pb5 116.88(6) . .
Pb11 Mn1 Pb5 64.47(4) . .
Pb9 Mn1 Pb5 63.67(4) . .
Pb10 Mn1 Pb8 64.43(4) . .
Pb12 Mn1 Pb8 63.59(4) . .
Pb11 Mn1 Pb8 115.29(6) . .
Pb9 Mn1 Pb8 115.86(6) . .
Pb5 Mn1 Pb8 179.00(6) . .
Pb10 Mn1 Pb6 64.48(4) . .
Pb12 Mn1 Pb6 64.18(4) . .
Pb11 Mn1 Pb6 115.37(6) . .
Pb9 Mn1 Pb6 115.79(6) . .
Pb5 Mn1 Pb6 107.12(5) . .
Pb8 Mn1 Pb6 73.87(5) . .
Pb10 Mn1 Pb7 115.79(6) . .
Pb12 Mn1 Pb7 116.22(6) . .
Pb11 Mn1 Pb7 64.37(4) . .
Pb9 Mn1 Pb7 63.82(4) . .
Pb5 Mn1 Pb7 71.95(4) . .
Pb8 Mn1 Pb7 107.06(5) . .
Pb6 Mn1 Pb7 179.07(7) . .
Pb10 Mn1 Pb4 114.05(6) . .
Pb12 Mn1 Pb4 66.20(4) . .
Pb11 Mn1 Pb4 65.78(4) . .
Pb9 Mn1 Pb4 113.54(6) . .
Pb5 Mn1 Pb4 120.67(5) . .
Pb8 Mn1 Pb4 58.57(4) . .
Pb6 Mn1 Pb4 122.20(6) . .
Pb7 Mn1 Pb4 58.60(4) . .
Pb10 Mn1 Pb2 113.79(6) . .
Pb12 Mn1 Pb2 67.26(4) . .
Pb11 Mn1 Pb2 66.22(5) . .
Pb9 Mn1 Pb2 113.23(6) . .
Pb5 Mn1 Pb2 58.67(4) . .
Pb8 Mn1 Pb2 122.22(6) . .
Pb6 Mn1 Pb2 58.37(4) . .
Pb7 Mn1 Pb2 120.89(6) . .
Pb4 Mn1 Pb2 122.95(6) . .
Pb10 Mn1 Pb1 66.46(4) . .
Pb12 Mn1 Pb1 114.37(6) . .
Pb11 Mn1 Pb1 113.72(6) . .
Pb9 Mn1 Pb1 65.90(4) . .
Pb5 Mn1 Pb1 58.49(4) . .
Pb8 Mn1 Pb1 122.26(6) . .
Pb6 Mn1 Pb1 58.66(4) . .
Pb7 Mn1 Pb1 120.54(6) . .
Pb4 Mn1 Pb1 179.10(7) . .
Pb2 Mn1 Pb1 57.08(3) . .
Pb10 Mn1 Pb3 66.35(5) . .
Pb12 Mn1 Pb3 113.49(6) . .
Pb11 Mn1 Pb3 113.64(6) . .
Pb9 Mn1 Pb3 66.02(4) . .
Pb5 Mn1 Pb3 120.50(6) . .
Pb8 Mn1 Pb3 58.61(4) . .
Pb6 Mn1 Pb3 122.21(6) . .
Pb7 Mn1 Pb3 58.51(4) . .
Pb4 Mn1 Pb3 57.42(3) . .
Pb2 Mn1 Pb3 179.16(7) . .
Pb1 Mn1 Pb3 122.54(6) . .
Pb5 Pb1 Pb6 105.61(3) . .
Pb5 Pb1 Pb2 59.94(2) . .
Pb6 Pb1 Pb2 59.63(2) . .
Pb5 Pb1 Mn1 57.57(4) . .
Pb6 Pb1 Mn1 57.75(4) . .
Pb2 Pb1 Mn1 61.42(4) . .
Pb5 Pb1 Pb9 58.08(3) . .
Pb6 Pb1 Pb9 102.64(3) . .
Pb2 Pb1 Pb9 104.85(3) . .
Mn1 Pb1 Pb9 51.59(4) . .
Pb5 Pb1 Pb10 101.85(3) . .
Pb6 Pb1 Pb10 58.51(2) . .
Pb2 Pb1 Pb10 104.56(3) . .
Mn1 Pb1 Pb10 51.15(3) . .
Pb9 Pb1 Pb10 55.17(2) . .
Pb6 Pb2 Pb5 105.80(2) . .
Pb6 Pb2 Pb1 60.11(2) . .
Pb5 Pb2 Pb1 59.71(3) . .
Pb6 Pb2 Mn1 57.92(4) . .
Pb5 Pb2 Mn1 57.53(4) . .
Pb1 Pb2 Mn1 61.50(4) . .
Pb6 Pb2 Pb11 102.28(2) . .
Pb5 Pb2 Pb11 58.57(3) . .
Pb1 Pb2 Pb11 104.97(3) . .
Mn1 Pb2 Pb11 51.42(3) . .
Pb6 Pb2 Pb12 57.99(2) . .
Pb5 Pb2 Pb12 101.77(3) . .
Pb1 Pb2 Pb12 104.32(3) . .
Mn1 Pb2 Pb12 50.88(4) . .
Pb11 Pb2 Pb12 54.80(2) . .
Pb8 Pb3 Pb7 105.75(2) . .
Pb8 Pb3 Pb4 59.62(3) . .
Pb7 Pb3 Pb4 59.78(2) . .
Pb8 Pb3 Mn1 57.63(4) . .
Pb7 Pb3 Mn1 57.93(4) . .
Pb4 Pb3 Mn1 61.23(4) . .
Pb8 Pb3 Pb9 102.48(3) . .
Pb7 Pb3 Pb9 58.31(2) . .
Pb4 Pb3 Pb9 104.58(3) . .
Mn1 Pb3 Pb9 51.53(4) . .
Pb8 Pb3 Pb10 58.46(3) . .
Pb7 Pb3 Pb10 102.23(2) . .
Pb4 Pb3 Pb10 104.48(3) . .
Mn1 Pb3 Pb10 51.18(3) . .
Pb9 Pb3 Pb10 55.15(2) . .
Pb8 Pb4 Pb7 105.79(3) . .
Pb8 Pb4 Pb3 59.75(2) . .
Pb7 Pb4 Pb3 59.70(2) . .
Pb8 Pb4 Mn1 57.70(4) . .
Pb7 Pb4 Mn1 57.94(4) . .
Pb3 Pb4 Mn1 61.35(4) . .
Pb8 Pb4 Pb11 102.35(3) . .
Pb7 Pb4 Pb11 58.91(2) . .
Pb3 Pb4 Pb11 105.00(3) . .
Mn1 Pb4 Pb11 51.60(3) . .
Pb8 Pb4 Pb12 57.85(3) . .
Pb7 Pb4 Pb12 102.74(3) . .
Pb3 Pb4 Pb12 104.33(3) . .
Mn1 Pb4 Pb12 51.31(4) . .
Pb11 Pb4 Pb12 55.41(2) . .
Mn1 Pb5 Pb1 63.94(4) . .
Mn1 Pb5 Pb2 63.80(4) . .
Pb1 Pb5 Pb2 60.35(2) . .
Mn1 Pb5 Pb9 55.31(4) . .
Pb1 Pb5 Pb9 65.12(2) . .
Pb2 Pb5 Pb9 110.55(2) . .
Mn1 Pb5 Pb11 54.88(4) . .
Pb1 Pb5 Pb11 110.28(3) . .
Pb2 Pb5 Pb11 64.88(4) . .
Pb9 Pb5 Pb11 100.25(3) . .
Mn1 Pb5 Pb7 54.31(4) . .
Pb1 Pb5 Pb7 110.29(3) . .
Pb2 Pb5 Pb7 110.35(3) . .
Pb9 Pb5 Pb7 55.24(2) . .
Pb11 Pb5 Pb7 55.45(3) . .
Mn1 Pb6 Pb2 63.71(4) . .
Mn1 Pb6 Pb1 63.59(4) . .
Pb2 Pb6 Pb1 60.27(2) . .
Mn1 Pb6 Pb12 54.65(4) . .
Pb2 Pb6 Pb12 65.97(2) . .
Pb1 Pb6 Pb12 110.48(3) . .
Mn1 Pb6 Pb10 54.50(4) . .
Pb2 Pb6 Pb10 109.92(3) . .
Pb1 Pb6 Pb10 64.90(3) . .
Pb12 Pb6 Pb10 98.56(3) . .
Mn1 Pb6 Pb8 52.96(4) . .
Pb2 Pb6 Pb8 109.10(3) . .
Pb1 Pb6 Pb8 108.85(3) . .
Pb12 Pb6 Pb8 53.68(3) . .
Pb10 Pb6 Pb8 54.29(2) . .
Mn1 Pb7 Pb3 63.56(3) . .
Mn1 Pb7 Pb4 63.45(4) . .
Pb3 Pb7 Pb4 60.52(2) . .
Mn1 Pb7 Pb9 54.92(4) . .
Pb3 Pb7 Pb9 64.89(2) . .
Pb4 Pb7 Pb9 110.15(3) . .
Mn1 Pb7 Pb11 54.60(4) . .
Pb3 Pb7 Pb11 109.71(3) . .
Pb4 Pb7 Pb11 64.27(3) . .
Pb9 Pb7 Pb11 99.66(4) . .
Mn1 Pb7 Pb5 53.74(4) . .
Pb3 Pb7 Pb5 109.43(3) . .
Pb4 Pb7 Pb5 109.42(3) . .
Pb9 Pb7 Pb5 54.75(3) . .
Pb11 Pb7 Pb5 55.23(2) . .
Mn1 Pb8 Pb4 63.72(4) . .
Mn1 Pb8 Pb3 63.76(4) . .
Pb4 Pb8 Pb3 60.63(3) . .
Mn1 Pb8 Pb12 55.03(4) . .
Pb4 Pb8 Pb12 65.24(2) . .
Pb3 Pb8 Pb12 110.64(2) . .
Mn1 Pb8 Pb10 54.64(4) . .
Pb4 Pb8 Pb10 110.17(3) . .
Pb3 Pb8 Pb10 64.95(4) . .
Pb12 Pb8 Pb10 99.36(3) . .
Mn1 Pb8 Pb6 53.17(3) . .
Pb4 Pb8 Pb6 109.14(3) . .
Pb3 Pb8 Pb6 109.16(3) . .
Pb12 Pb8 Pb6 54.45(2) . .
Pb10 Pb8 Pb6 54.47(3) . .
Mn1 Pb9 Pb10 56.94(4) . .
Mn1 Pb9 Pb5 61.01(4) . .
Pb10 Pb9 Pb5 106.88(3) . .
Mn1 Pb9 Pb7 61.27(4) . .
Pb10 Pb9 Pb7 106.99(3) . .
Pb5 Pb9 Pb7 70.01(3) . .
Mn1 Pb9 Pb1 62.51(4) . .
Pb10 Pb9 Pb1 62.71(2) . .
Pb5 Pb9 Pb1 56.797(19) . .
Pb7 Pb9 Pb1 115.58(4) . .
Mn1 Pb9 Pb3 62.44(4) . .
Pb10 Pb9 Pb3 62.55(3) . .
Pb5 Pb9 Pb3 115.28(3) . .
Pb7 Pb9 Pb3 56.80(2) . .
Pb1 Pb9 Pb3 116.76(3) . .
Mn1 Pb10 Pb9 57.39(4) . .
Mn1 Pb10 Pb8 60.93(4) . .
Pb9 Pb10 Pb8 106.74(3) . .
Mn1 Pb10 Pb6 61.02(4) . .
Pb9 Pb10 Pb6 106.73(3) . .
Pb8 Pb10 Pb6 71.24(3) . .
Mn1 Pb10 Pb3 62.47(4) . .
Pb9 Pb10 Pb3 62.30(2) . .
Pb8 Pb10 Pb3 56.58(3) . .
Pb6 Pb10 Pb3 116.01(3) . .
Mn1 Pb10 Pb1 62.40(4) . .
Pb9 Pb10 Pb1 62.12(3) . .
Pb8 Pb10 Pb1 115.87(2) . .
Pb6 Pb10 Pb1 56.59(2) . .
Pb3 Pb10 Pb1 116.05(2) . .
Mn1 Pb11 Pb12 56.98(4) . .
Mn1 Pb11 Pb5 60.65(4) . .
Pb12 Pb11 Pb5 106.94(3) . .
Mn1 Pb11 Pb7 61.03(4) . .
Pb12 Pb11 Pb7 106.78(3) . .
Pb5 Pb11 Pb7 69.32(3) . .
Mn1 Pb11 Pb4 62.62(4) . .
Pb12 Pb11 Pb4 62.53(3) . .
Pb5 Pb11 Pb4 114.87(3) . .
Pb7 Pb11 Pb4 56.82(2) . .
Mn1 Pb11 Pb2 62.36(4) . .
Pb12 Pb11 Pb2 63.28(3) . .
Pb5 Pb11 Pb2 56.55(3) . .
Pb7 Pb11 Pb2 114.93(3) . .
Pb4 Pb11 Pb2 117.08(2) . .
Mn1 Pb12 Pb11 57.25(4) . .
Mn1 Pb12 Pb8 61.38(4) . .
Pb11 Pb12 Pb8 106.98(3) . .
Mn1 Pb12 Pb6 61.17(4) . .
Pb11 Pb12 Pb6 106.50(3) . .
Pb8 Pb12 Pb6 71.87(3) . .
Mn1 Pb12 Pb4 62.50(4) . .
Pb11 Pb12 Pb4 62.06(2) . .
Pb8 Pb12 Pb4 56.904(19) . .
Pb6 Pb12 Pb4 116.48(3) . .
Mn1 Pb12 Pb2 61.86(4) . .
Pb11 Pb12 Pb2 61.91(3) . .
Pb8 Pb12 Pb2 115.79(3) . .
Pb6 Pb12 Pb2 56.03(2) . .
Pb4 Pb12 Pb2 115.53(3) . .
Pb23 Mn2 Pb23 180.0(3) 3_567 .
Pb23 Mn2 Pb24 120.2(2) 3_567 .
Pb23 Mn2 Pb24 59.8(2) . .
Pb23 Mn2 Pb24 59.8(2) 3_567 3_567
Pb23 Mn2 Pb24 120.2(2) . 3_567
Pb24 Mn2 Pb24 180.000(1) . 3_567
Pb23 Mn2 Pb3B 173.4(3) 3_567 .
Pb23 Mn2 Pb3B 6.6(3) . .
Pb24 Mn2 Pb3B 66.2(3) . .
Pb24 Mn2 Pb3B 113.8(3) 3_567 .
Pb23 Mn2 Pb3B 6.6(3) 3_567 3_567
Pb23 Mn2 Pb3B 173.4(3) . 3_567
Pb24 Mn2 Pb3B 113.8(3) . 3_567
Pb24 Mn2 Pb3B 66.2(3) 3_567 3_567
Pb3B Mn2 Pb3B 180.00(10) . 3_567
Pb23 Mn2 Pb2B 70.21(17) 3_567 3_567
Pb23 Mn2 Pb2B 109.79(17) . 3_567
Pb24 Mn2 Pb2B 64.54(17) . 3_567
Pb24 Mn2 Pb2B 115.46(17) 3_567 3_567
Pb3B Mn2 Pb2B 115.53(16) . 3_567
Pb3B Mn2 Pb2B 64.47(16) 3_567 3_567
Pb23 Mn2 Pb2B 109.79(17) 3_567 .
Pb23 Mn2 Pb2B 70.21(17) . .
Pb24 Mn2 Pb2B 115.46(17) . .
Pb24 Mn2 Pb2B 64.54(17) 3_567 .
Pb3B Mn2 Pb2B 64.47(16) . .
Pb3B Mn2 Pb2B 115.53(16) 3_567 .
Pb2B Mn2 Pb2B 180.000(2) 3_567 .
Pb23 Mn2 Pb22 116.96(13) 3_567 .
Pb23 Mn2 Pb22 63.04(13) . .
Pb24 Mn2 Pb22 114.49(15) . .
Pb24 Mn2 Pb22 65.51(15) 3_567 .
Pb3B Mn2 Pb22 56.88(17) . .
Pb3B Mn2 Pb22 123.12(17) 3_567 .
Pb2B Mn2 Pb22 169.11(15) 3_567 .
Pb2B Mn2 Pb22 10.89(15) . .
Pb23 Mn2 Pb22 63.04(13) 3_567 3_567
Pb23 Mn2 Pb22 116.96(13) . 3_567
Pb24 Mn2 Pb22 65.51(15) . 3_567
Pb24 Mn2 Pb22 114.49(15) 3_567 3_567
Pb3B Mn2 Pb22 123.12(17) . 3_567
Pb3B Mn2 Pb22 56.88(17) 3_567 3_567
Pb2B Mn2 Pb22 10.89(15) 3_567 3_567
Pb2B Mn2 Pb22 169.11(15) . 3_567
Pb22 Mn2 Pb22 180.000(2) . 3_567
Pb23 Mn2 Pb26 112.72(13) 3_567 3_567
Pb23 Mn2 Pb26 67.28(13) . 3_567
Pb24 Mn2 Pb26 64.1(2) . 3_567
Pb24 Mn2 Pb26 115.9(2) 3_567 3_567
Pb3B Mn2 Pb26 70.86(15) . 3_567
Pb3B Mn2 Pb26 109.14(15) 3_567 3_567
Pb2B Mn2 Pb26 51.49(11) 3_567 3_567
Pb2B Mn2 Pb26 128.51(11) . 3_567
Pb22 Mn2 Pb26 117.80(9) . 3_567
Pb22 Mn2 Pb26 62.20(9) 3_567 3_567
Pb23 Mn2 Pb26 67.28(13) 3_567 .
Pb23 Mn2 Pb26 112.72(13) . .
Pb24 Mn2 Pb26 115.9(2) . .
Pb24 Mn2 Pb26 64.1(2) 3_567 .
Pb3B Mn2 Pb26 109.14(15) . .
Pb3B Mn2 Pb26 70.86(14) 3_567 .
Pb2B Mn2 Pb26 128.51(11) 3_567 .
Pb2B Mn2 Pb26 51.49(11) . .
Pb22 Mn2 Pb26 62.20(9) . .
Pb22 Mn2 Pb26 117.80(9) 3_567 .
Pb26 Mn2 Pb26 180.000(2) 3_567 .
Pb23 Mn2 Pb5B 66.7(2) 3_567 .
Pb23 Mn2 Pb5B 113.3(2) . .
Pb24 Mn2 Pb5B 63.4(2) . .
Pb24 Mn2 Pb5B 116.6(2) 3_567 .
Pb3B Mn2 Pb5B 117.5(2) . .
Pb3B Mn2 Pb5B 62.5(2) 3_567 .
Pb2B Mn2 Pb5B 71.6(2) 3_567 .
Pb2B Mn2 Pb5B 108.4(2) . .
Pb22 Mn2 Pb5B 118.3(2) . .
Pb22 Mn2 Pb5B 61.7(2) 3_567 .
Pb26 Mn2 Pb5B 114.2(2) 3_567 .
Pb26 Mn2 Pb5B 65.8(2) . .
Pb23 Mn2 Pb5B 113.3(2) 3_567 3_567
Pb23 Mn2 Pb5B 66.7(2) . 3_567
Pb24 Mn2 Pb5B 116.6(2) . 3_567
Pb24 Mn2 Pb5B 63.4(2) 3_567 3_567
Pb3B Mn2 Pb5B 62.5(2) . 3_567
Pb3B Mn2 Pb5B 117.5(2) 3_567 3_567
Pb2B Mn2 Pb5B 108.4(2) 3_567 3_567
Pb2B Mn2 Pb5B 71.6(2) . 3_567
Pb22 Mn2 Pb5B 61.7(2) . 3_567
Pb22 Mn2 Pb5B 118.3(2) 3_567 3_567
Pb26 Mn2 Pb5B 65.8(2) 3_567 3_567
Pb26 Mn2 Pb5B 114.2(2) . 3_567
Pb5B Mn2 Pb5B 180.000(3) . 3_567
Pb23 Mn2 Pb4B 114.8(2) 3_567 .
Pb23 Mn2 Pb4B 65.2(2) . .
Pb24 Mn2 Pb4B 6.6(3) . .
Pb24 Mn2 Pb4B 173.4(3) 3_567 .
Pb3B Mn2 Pb4B 71.4(3) . .
Pb3B Mn2 Pb4B 108.6(3) 3_567 .
Pb2B Mn2 Pb4B 63.66(17) 3_567 .
Pb2B Mn2 Pb4B 116.34(17) . .
Pb22 Mn2 Pb4B 116.71(17) . .
Pb22 Mn2 Pb4B 63.29(17) 3_567 .
Pb26 Mn2 Pb4B 69.0(3) 3_567 .
Pb26 Mn2 Pb4B 111.0(3) . .
Pb5B Mn2 Pb4B 56.8(2) . .
Pb5B Mn2 Pb4B 123.2(2) 3_567 .
Pb23 Mn2 Pb4B 65.2(2) 3_567 3_567
Pb23 Mn2 Pb4B 114.8(2) . 3_567
Pb24 Mn2 Pb4B 173.4(3) . 3_567
Pb24 Mn2 Pb4B 6.6(3) 3_567 3_567
Pb3B Mn2 Pb4B 108.6(3) . 3_567
Pb3B Mn2 Pb4B 71.4(3) 3_567 3_567
Pb2B Mn2 Pb4B 116.34(17) 3_567 3_567
Pb2B Mn2 Pb4B 63.66(17) . 3_567
Pb22 Mn2 Pb4B 63.29(17) . 3_567
Pb22 Mn2 Pb4B 116.71(17) 3_567 3_567
Pb26 Mn2 Pb4B 111.0(3) 3_567 3_567
Pb26 Mn2 Pb4B 69.0(3) . 3_567
Pb5B Mn2 Pb4B 123.2(2) . 3_567
Pb5B Mn2 Pb4B 56.8(2) 3_567 3_567
Pb4B Mn2 Pb4B 180.000(2) . 3_567
Pb23 Mn2 Pb1B 64.54(17) 3_567 3_567
Pb23 Mn2 Pb1B 115.46(17) . 3_567
Pb24 Mn2 Pb1B 117.59(17) . 3_567
Pb24 Mn2 Pb1B 62.41(18) 3_567 3_567
Pb3B Mn2 Pb1B 114.81(19) . 3_567
Pb3B Mn2 Pb1B 65.19(19) 3_567 3_567
Pb2B Mn2 Pb1B 60.58(17) 3_567 3_567
Pb2B Mn2 Pb1B 119.42(17) . 3_567
Pb22 Mn2 Pb1B 113.8(2) . 3_567
Pb22 Mn2 Pb1B 66.2(2) 3_567 3_567
Pb26 Mn2 Pb1B 59.61(15) 3_567 3_567
Pb26 Mn2 Pb1B 120.39(15) . 3_567
Pb5B Mn2 Pb1B 120.0(2) . 3_567
Pb5B Mn2 Pb1B 60.0(2) 3_567 3_567
Pb4B Mn2 Pb1B 119.8(2) . 3_567
Pb4B Mn2 Pb1B 60.2(2) 3_567 3_567
Pb23 Mn2 Pb1B 115.46(17) 3_567 .
Pb23 Mn2 Pb1B 64.54(17) . .
Pb24 Mn2 Pb1B 62.41(18) . .
Pb24 Mn2 Pb1B 117.59(17) 3_567 .
Pb3B Mn2 Pb1B 65.19(19) . .
Pb3B Mn2 Pb1B 114.81(19) 3_567 .
Pb2B Mn2 Pb1B 119.42(17) 3_567 .
Pb2B Mn2 Pb1B 60.58(17) . .
Pb22 Mn2 Pb1B 66.2(2) . .
Pb22 Mn2 Pb1B 113.8(2) 3_567 .
Pb26 Mn2 Pb1B 120.39(15) 3_567 .
Pb26 Mn2 Pb1B 59.61(15) . .
Pb5B Mn2 Pb1B 60.0(2) . .
Pb5B Mn2 Pb1B 120.0(2) 3_567 .
Pb4B Mn2 Pb1B 60.2(2) . .
Pb4B Mn2 Pb1B 119.8(2) 3_567 .
Pb1B Mn2 Pb1B 180.000(2) 3_567 .
Pb23 Mn2 Pb6B 62.62(15) 3_567 .
Pb23 Mn2 Pb6B 117.38(15) . .
Pb24 Mn2 Pb6B 108.35(18) . .
Pb24 Mn2 Pb6B 71.65(18) 3_567 .
Pb3B Mn2 Pb6B 114.92(14) . .
Pb3B Mn2 Pb6B 65.08(14) 3_567 .
Pb2B Mn2 Pb6B 118.17(11) 3_567 .
Pb2B Mn2 Pb6B 61.83(11) . .
Pb22 Mn2 Pb6B 72.67(10) . .
Pb22 Mn2 Pb6B 107.33(10) 3_567 .
Pb26 Mn2 Pb6B 168.58(7) 3_567 .
Pb26 Mn2 Pb6B 11.42(7) . .
Pb5B Mn2 Pb6B 54.6(2) . .
Pb5B Mn2 Pb6B 125.4(2) 3_567 .
Pb4B Mn2 Pb6B 102.8(3) . .
Pb4B Mn2 Pb6B 77.2(3) 3_567 .
Pb1B Mn2 Pb6B 122.05(15) 3_567 .
Pb1B Mn2 Pb6B 57.95(14) . .
Pb23 Mn2 Pb6B 117.38(15) 3_567 3_567
Pb23 Mn2 Pb6B 62.62(15) . 3_567
Pb24 Mn2 Pb6B 71.65(18) . 3_567
Pb24 Mn2 Pb6B 108.35(18) 3_567 3_567
Pb3B Mn2 Pb6B 65.08(14) . 3_567
Pb3B Mn2 Pb6B 114.92(14) 3_567 3_567
Pb2B Mn2 Pb6B 61.83(11) 3_567 3_567
Pb2B Mn2 Pb6B 118.17(11) . 3_567
Pb22 Mn2 Pb6B 107.33(10) . 3_567
Pb22 Mn2 Pb6B 72.67(10) 3_567 3_567
Pb26 Mn2 Pb6B 11.42(7) 3_567 3_567
Pb26 Mn2 Pb6B 168.58(7) . 3_567
Pb5B Mn2 Pb6B 125.4(2) . 3_567
Pb5B Mn2 Pb6B 54.6(2) 3_567 3_567
Pb4B Mn2 Pb6B 77.2(3) . 3_567
Pb4B Mn2 Pb6B 102.8(3) 3_567 3_567
Pb1B Mn2 Pb6B 57.95(14) 3_567 3_567
Pb1B Mn2 Pb6B 122.05(15) . 3_567
Pb6B Mn2 Pb6B 180.0(3) . 3_567
Pb23 Mn2 Pb25 68.29(16) 3_567 .
Pb23 Mn2 Pb25 111.71(16) . .
Pb24 Mn2 Pb25 62.93(15) . .
Pb24 Mn2 Pb25 117.07(15) 3_567 .
Pb3B Mn2 Pb25 115.70(18) . .
Pb3B Mn2 Pb25 64.30(18) 3_567 .
Pb2B Mn2 Pb25 73.48(18) 3_567 .
Pb2B Mn2 Pb25 106.52(18) . .
Pb22 Mn2 Pb25 116.31(18) . .
Pb22 Mn2 Pb25 63.69(18) 3_567 .
Pb26 Mn2 Pb25 115.20(19) 3_567 .
Pb26 Mn2 Pb25 64.80(19) . .
Pb5B Mn2 Pb25 2.2(3) . .
Pb5B Mn2 Pb25 177.8(3) 3_567 .
Pb4B Mn2 Pb25 56.4(2) . .
Pb4B Mn2 Pb25 123.6(2) 3_567 .
Pb1B Mn2 Pb25 122.16(17) 3_567 .
Pb1B Mn2 Pb25 57.84(17) . .
Pb6B Mn2 Pb25 53.67(16) . .
Pb6B Mn2 Pb25 126.33(16) 3_567 .
Pb23 Mn2 Pb25 111.71(16) 3_567 3_567
Pb23 Mn2 Pb25 68.29(16) . 3_567
Pb24 Mn2 Pb25 117.07(15) . 3_567
Pb24 Mn2 Pb25 62.93(15) 3_567 3_567
Pb3B Mn2 Pb25 64.30(18) . 3_567
Pb3B Mn2 Pb25 115.70(18) 3_567 3_567
Pb2B Mn2 Pb25 106.52(18) 3_567 3_567
Pb2B Mn2 Pb25 73.48(18) . 3_567
Pb22 Mn2 Pb25 63.69(18) . 3_567
Pb22 Mn2 Pb25 116.31(18) 3_567 3_567
Pb26 Mn2 Pb25 64.80(19) 3_567 3_567
Pb26 Mn2 Pb25 115.20(19) . 3_567
Pb5B Mn2 Pb25 177.8(3) . 3_567
Pb5B Mn2 Pb25 2.2(3) 3_567 3_567
Pb4B Mn2 Pb25 123.6(2) . 3_567
Pb4B Mn2 Pb25 56.4(2) 3_567 3_567
Pb1B Mn2 Pb25 57.84(17) 3_567 3_567
Pb1B Mn2 Pb25 122.16(17) . 3_567
Pb6B Mn2 Pb25 126.33(16) . 3_567
Pb6B Mn2 Pb25 53.67(16) 3_567 3_567
Pb25 Mn2 Pb25 180.000(2) . 3_567
Pb23 Mn2 Pb21 65.73(13) 3_567 3_567
Pb23 Mn2 Pb21 114.27(13) . 3_567
Pb24 Mn2 Pb21 117.53(13) . 3_567
Pb24 Mn2 Pb21 62.47(13) 3_567 3_567
Pb3B Mn2 Pb21 113.57(15) . 3_567
Pb3B Mn2 Pb21 66.43(15) 3_567 3_567
Pb2B Mn2 Pb21 61.20(13) 3_567 3_567
Pb2B Mn2 Pb21 118.80(13) . 3_567
Pb22 Mn2 Pb21 113.03(15) . 3_567
Pb22 Mn2 Pb21 66.97(15) 3_567 3_567
Pb26 Mn2 Pb21 58.96(11) 3_567 3_567
Pb26 Mn2 Pb21 121.04(11) . 3_567
Pb5B Mn2 Pb21 121.14(18) . 3_567
Pb5B Mn2 Pb21 58.86(18) 3_567 3_567
Pb4B Mn2 Pb21 119.86(19) . 3_567
Pb4B Mn2 Pb21 60.14(19) 3_567 3_567
Pb1B Mn2 Pb21 1.26(19) 3_567 3_567
Pb1B Mn2 Pb21 178.74(19) . 3_567
Pb6B Mn2 Pb21 122.92(8) . 3_567
Pb6B Mn2 Pb21 57.08(8) 3_567 3_567
Pb25 Mn2 Pb21 123.36(12) . 3_567
Pb25 Mn2 Pb21 56.64(12) 3_567 3_567
Pb23 Mn2 Pb21 114.27(13) 3_567 .
Pb23 Mn2 Pb21 65.73(13) . .
Pb24 Mn2 Pb21 62.47(13) . .
Pb24 Mn2 Pb21 117.53(13) 3_567 .
Pb3B Mn2 Pb21 66.43(15) . .
Pb3B Mn2 Pb21 113.57(15) 3_567 .
Pb2B Mn2 Pb21 118.80(13) 3_567 .
Pb2B Mn2 Pb21 61.20(13) . .
Pb22 Mn2 Pb21 66.97(15) . .
Pb22 Mn2 Pb21 113.03(15) 3_567 .
Pb26 Mn2 Pb21 121.04(11) 3_567 .
Pb26 Mn2 Pb21 58.96(11) . .
Pb5B Mn2 Pb21 58.86(18) . .
Pb5B Mn2 Pb21 121.14(18) 3_567 .
Pb4B Mn2 Pb21 60.14(19) . .
Pb4B Mn2 Pb21 119.86(19) 3_567 .
Pb1B Mn2 Pb21 178.74(19) 3_567 .
Pb1B Mn2 Pb21 1.26(19) . .
Pb6B Mn2 Pb21 57.08(8) . .
Pb6B Mn2 Pb21 122.92(8) 3_567 .
Pb25 Mn2 Pb21 56.64(12) . .
Pb25 Mn2 Pb21 123.36(12) 3_567 .
Pb21 Mn2 Pb21 180.000(1) 3_567 .
Pb25 Pb21 Pb26 65.91(18) . .
Pb25 Pb21 Pb24 61.43(17) . .
Pb26 Pb21 Pb24 104.69(18) . .
Pb25 Pb21 Mn2 61.64(14) . .
Pb26 Pb21 Mn2 56.49(13) . .
Pb24 Pb21 Mn2 52.58(12) . .
Pb25 Pb21 Pb23 103.46(18) . .
Pb26 Pb21 Pb23 98.3(2) . .
Pb24 Pb21 Pb23 51.5(2) . .
Mn2 Pb21 Pb23 50.75(10) . .
Pb25 Pb21 Pb22 108.39(18) . .
Pb26 Pb21 Pb22 56.22(15) . .
Pb24 Pb21 Pb22 95.5(2) . .
Mn2 Pb21 Pb22 52.97(11) . .
Pb23 Pb21 Pb22 53.37(14) . .
Mn2 Pb22 Pb23 55.55(13) . .
Mn2 Pb22 Pb26 59.02(11) . .
Pb23 Pb22 Pb26 104.17(19) . .
Mn2 Pb22 Pb24 55.04(15) . 3_567
Pb23 Pb22 Pb24 104.6(2) . 3_567
Pb26 Pb22 Pb24 59.5(3) . 3_567
Mn2 Pb22 Pb25 61.90(14) . 3_567
Pb23 Pb22 Pb25 65.1(2) . 3_567
Pb26 Pb22 Pb25 111.15(18) . 3_567
Pb24 Pb22 Pb25 59.31(18) 3_567 3_567
Mn2 Pb22 Pb21 60.06(13) . .
Pb23 Pb22 Pb21 60.93(17) . .
Pb26 Pb22 Pb21 55.88(10) . .
Pb24 Pb22 Pb21 104.1(3) 3_567 .
Pb25 Pb22 Pb21 115.79(16) 3_567 .
Mn2 Pb23 Pb24 60.76(16) . .
Mn2 Pb23 Pb22 61.41(12) . .
Pb24 Pb23 Pb22 113.9(3) . .
Mn2 Pb23 Pb26 59.17(12) . 3_567
Pb24 Pb23 Pb26 61.4(2) . 3_567
Pb22 Pb23 Pb26 110.07(18) . 3_567
Mn2 Pb23 Pb21 63.52(12) . .
Pb24 Pb23 Pb21 61.90(18) . .
Pb22 Pb23 Pb21 65.70(19) . .
Pb26 Pb23 Pb21 112.82(18) 3_567 .
Mn2 Pb23 Pb25 61.92(13) . 3_567
Pb24 Pb23 Pb25 112.6(2) . 3_567
Pb22 Pb23 Pb25 61.1(2) . 3_567
Pb26 Pb23 Pb25 60.57(18) 3_567 3_567
Pb21 Pb23 Pb25 116.39(16) . 3_567
Pb23 Pb24 Mn2 59.42(16) . .
Pb23 Pb24 Pb26 65.7(3) . 3_567
Mn2 Pb24 Pb26 60.35(13) . 3_567
Pb23 Pb24 Pb22 111.4(3) . 3_567
Mn2 Pb24 Pb22 59.44(14) . 3_567
Pb26 Pb24 Pb22 59.19(14) 3_567 3_567
Pb23 Pb24 Pb21 66.59(19) . .
Mn2 Pb24 Pb21 64.94(15) . .
Pb26 Pb24 Pb21 119.9(3) 3_567 .
Pb22 Pb24 Pb21 110.4(2) 3_567 .
Pb23 Pb24 Pb25 112.8(2) . .
Mn2 Pb24 Pb25 64.63(15) . .
Pb26 Pb24 Pb25 113.6(2) 3_567 .
Pb22 Pb24 Pb25 62.5(2) 3_567 .
Pb21 Pb24 Pb25 57.76(16) . .
Pb21 Pb25 Pb24 60.81(16) . .
Pb21 Pb25 Mn2 61.71(12) . .
Pb24 Pb25 Mn2 52.44(14) . .
Pb21 Pb25 Pb22 109.35(19) . 3_567
Pb24 Pb25 Pb22 58.22(16) . 3_567
Mn2 Pb25 Pb22 54.41(12) . 3_567
Pb21 Pb25 Pb26 57.07(13) . .
Pb24 Pb25 Pb26 98.3(3) . .
Mn2 Pb25 Pb26 54.04(17) . .
Pb22 Pb25 Pb26 100.95(19) 3_567 .
Pb21 Pb25 Pb23 103.09(19) . 3_567
Pb24 Pb25 Pb23 95.6(2) . 3_567
Mn2 Pb25 Pb23 49.79(12) . 3_567
Pb22 Pb25 Pb23 53.73(14) 3_567 3_567
Pb26 Pb25 Pb23 56.82(17) . 3_567
Mn2 Pb26 Pb21 64.54(10) . .
Mn2 Pb26 Pb22 58.78(14) . .
Pb21 Pb26 Pb22 67.89(18) . .
Mn2 Pb26 Pb24 55.60(14) . 3_567
Pb21 Pb26 Pb24 115.0(2) . 3_567
Pb22 Pb26 Pb24 61.3(2) . 3_567
Mn2 Pb26 Pb23 53.55(10) . 3_567
Pb21 Pb26 Pb23 107.78(14) . 3_567
Pb22 Pb26 Pb23 103.07(19) . 3_567
Pb24 Pb26 Pb23 52.94(17) 3_567 3_567
Mn2 Pb26 Pb25 61.16(11) . .
Pb21 Pb26 Pb25 57.02(15) . .
Pb22 Pb26 Pb25 110.53(15) . .
Pb24 Pb26 Pb25 107.29(17) 3_567 .
Pb23 Pb26 Pb25 62.61(15) 3_567 .
Pb2B Pb1B Pb6B 61.30(16) . .
Pb2B Pb1B Pb5B 102.5(3) . .
Pb6B Pb1B Pb5B 55.0(3) . .
Pb2B Pb1B Pb4B 110.7(4) . .
Pb6B Pb1B Pb4B 104.6(3) . .
Pb5B Pb1B Pb4B 55.9(3) . .
Pb2B Pb1B Mn2 55.34(17) . .
Pb6B Pb1B Mn2 61.22(16) . .
Pb5B Pb1B Mn2 58.0(2) . .
Pb4B Pb1B Mn2 59.4(2) . .
Pb2B Pb1B Pb3B 58.1(2) . .
Pb6B Pb1B Pb3B 107.4(3) . .
Pb5B Pb1B Pb3B 105.2(3) . .
Pb4B Pb1B Pb3B 66.3(4) . .
Mn2 Pb1B Pb3B 53.23(17) . .
Mn2 Pb2B Pb1B 64.08(17) . .
Mn2 Pb2B Pb3B 57.59(16) . .
Pb1B Pb2B Pb3B 64.2(2) . .
Mn2 Pb2B Pb6B 63.53(11) . .
Pb1B Pb2B Pb6B 59.46(18) . .
Pb3B Pb2B Pb6B 110.8(2) . .
Mn2 Pb2B Pb4B 61.81(16) . 3_567
Pb1B Pb2B Pb4B 121.3(3) . 3_567
Pb3B Pb2B Pb4B 102.5(3) . 3_567
Pb6B Pb2B Pb4B 77.2(3) . 3_567
Mn2 Pb2B Pb5B 56.1(2) . 3_567
Pb1B Pb2B Pb5B 110.4(3) . 3_567
Pb3B Pb2B Pb5B 55.6(3) . 3_567
Pb6B Pb2B Pb5B 113.5(2) . 3_567
Pb4B Pb2B Pb5B 52.2(3) 3_567 3_567
Mn2 Pb3B Pb5B 61.23(19) . 3_567
Mn2 Pb3B Pb2B 57.95(15) . .
Pb5B Pb3B Pb2B 68.7(2) 3_567 .
Mn2 Pb3B Pb1B 61.57(19) . .
Pb5B Pb3B Pb1B 115.7(3) 3_567 .
Pb2B Pb3B Pb1B 57.6(2) . .
Mn2 Pb3B Pb6B 61.81(13) . 3_567
Pb5B Pb3B Pb6B 53.3(2) 3_567 3_567
Pb2B Pb3B Pb6B 110.2(2) . 3_567
Pb1B Pb3B Pb6B 116.2(2) . 3_567
Mn2 Pb3B Pb4B 57.59(19) . .
Pb5B Pb3B Pb4B 110.7(3) 3_567 .
Pb2B Pb3B Pb4B 101.6(3) . .
Pb1B Pb3B Pb4B 55.4(3) . .
Pb6B Pb3B Pb4B 70.8(2) 3_567 .
Pb5B Pb4B Mn2 60.0(2) . .
Pb5B Pb4B Pb1B 61.1(3) . .
Mn2 Pb4B Pb1B 60.39(19) . .
Pb5B Pb4B Pb2B 69.0(3) . 3_567
Mn2 Pb4B Pb2B 54.53(16) . 3_567
Pb1B Pb4B Pb2B 111.2(3) . 3_567
Pb5B Pb4B Pb3B 102.9(3) . .
Mn2 Pb4B Pb3B 50.98(18) . .
Pb1B Pb4B Pb3B 58.3(3) . .
Pb2B Pb4B Pb3B 93.5(3) 3_567 .
Pb5B Pb4B Pb6B 106.0(3) . 3_567
Mn2 Pb4B Pb6B 51.90(19) . 3_567
Pb1B Pb4B Pb6B 102.3(3) . 3_567
Pb2B Pb4B Pb6B 50.8(2) 3_567 3_567
Pb3B Pb4B Pb6B 51.6(2) . 3_567
Pb6B Pb5B Pb4B 116.7(4) . .
Pb6B Pb5B Mn2 65.2(3) . .
Pb4B Pb5B Mn2 63.2(3) . .
Pb6B Pb5B Pb3B 66.8(3) . 3_567
Pb4B Pb5B Pb3B 108.6(4) . 3_567
Mn2 Pb5B Pb3B 56.2(2) . 3_567
Pb6B Pb5B Pb1B 61.9(2) . .
Pb4B Pb5B Pb1B 63.0(2) . .
Mn2 Pb5B Pb1B 62.0(2) . .
Pb3B Pb5B Pb1B 111.1(4) 3_567 .
Pb6B Pb5B Pb2B 110.5(3) . 3_567
Pb4B Pb5B Pb2B 58.9(2) . 3_567
Mn2 Pb5B Pb2B 52.25(14) . 3_567
Pb3B Pb5B Pb2B 55.7(2) 3_567 3_567
Pb1B Pb5B Pb2B 105.3(3) . 3_567
Pb5B Pb6B Pb1B 63.1(2) . .
Pb5B Pb6B Pb2B 107.1(2) . .
Pb1B Pb6B Pb2B 59.2(2) . .
Pb5B Pb6B Mn2 60.26(19) . .
Pb1B Pb6B Mn2 60.83(17) . .
Pb2B Pb6B Mn2 54.64(12) . .
Pb5B Pb6B Pb3B 59.9(2) . 3_567
Pb1B Pb6B Pb3B 107.0(2) . 3_567
Pb2B Pb6B Pb3B 99.60(19) . 3_567
Mn2 Pb6B Pb3B 53.11(13) . 3_567
Pb34 Mn3 Pb34 180.000(1) 3_677 .
Pb34 Mn3 Pb32 65.79(6) 3_677 .
Pb34 Mn3 Pb32 114.21(6) . .
Pb34 Mn3 Pb32 114.21(6) 3_677 3_677
Pb34 Mn3 Pb32 65.79(6) . 3_677
Pb32 Mn3 Pb32 180.000(1) . 3_677
Pb34 Mn3 Pb3C 56.9(5) 3_677 3_677
Pb34 Mn3 Pb3C 123.1(5) . 3_677
Pb32 Mn3 Pb3C 112.7(3) . 3_677
Pb32 Mn3 Pb3C 67.3(3) 3_677 3_677
Pb34 Mn3 Pb3C 123.1(5) 3_677 .
Pb34 Mn3 Pb3C 56.9(5) . .
Pb32 Mn3 Pb3C 67.3(3) . .
Pb32 Mn3 Pb3C 112.7(3) 3_677 .
Pb3C Mn3 Pb3C 180.000(10) 3_677 .
Pb34 Mn3 Pb2C 111.7(2) 3_677 3_677
Pb34 Mn3 Pb2C 68.3(2) . 3_677
Pb32 Mn3 Pb2C 172.9(4) . 3_677
Pb32 Mn3 Pb2C 7.1(4) 3_677 3_677
Pb3C Mn3 Pb2C 61.8(3) 3_677 3_677
Pb3C Mn3 Pb2C 118.2(3) . 3_677
Pb34 Mn3 Pb2C 68.3(2) 3_677 .
Pb34 Mn3 Pb2C 111.7(2) . .
Pb32 Mn3 Pb2C 7.1(4) . .
Pb32 Mn3 Pb2C 172.9(4) 3_677 .
Pb3C Mn3 Pb2C 118.2(3) 3_677 .
Pb3C Mn3 Pb2C 61.8(3) . .
Pb2C Mn3 Pb2C 180.000(7) 3_677 .
Pb34 Mn3 Pb4C 10.4(5) 3_677 3_677
Pb34 Mn3 Pb4C 169.6(6) . 3_677
Pb32 Mn3 Pb4C 64.5(2) . 3_677
Pb32 Mn3 Pb4C 115.5(2) 3_677 3_677
Pb3C Mn3 Pb4C 64.7(3) 3_677 3_677
Pb3C Mn3 Pb4C 115.3(3) . 3_677
Pb2C Mn3 Pb4C 114.3(3) 3_677 3_677
Pb2C Mn3 Pb4C 65.7(3) . 3_677
Pb34 Mn3 Pb4C 169.6(6) 3_677 .
Pb34 Mn3 Pb4C 10.4(5) . .
Pb32 Mn3 Pb4C 115.5(2) . .
Pb32 Mn3 Pb4C 64.5(2) 3_677 .
Pb3C Mn3 Pb4C 115.3(3) 3_677 .
Pb3C Mn3 Pb4C 64.7(3) . .
Pb2C Mn3 Pb4C 65.7(3) 3_677 .
Pb2C Mn3 Pb4C 114.3(3) . .
Pb4C Mn3 Pb4C 180.000(5) 3_677 .
Pb34 Mn3 Pb33 115.19(5) 3_677 .
Pb34 Mn3 Pb33 64.81(5) . .
Pb32 Mn3 Pb33 64.54(7) . .
Pb32 Mn3 Pb33 115.46(7) 3_677 .
Pb3C Mn3 Pb33 170.7(5) 3_677 .
Pb3C Mn3 Pb33 9.3(5) . .
Pb2C Mn3 Pb33 121.7(3) 3_677 .
Pb2C Mn3 Pb33 58.3(3) . .
Pb4C Mn3 Pb33 106.8(5) 3_677 .
Pb4C Mn3 Pb33 73.2(5) . .
Pb34 Mn3 Pb33 64.81(5) 3_677 3_677
Pb34 Mn3 Pb33 115.19(5) . 3_677
Pb32 Mn3 Pb33 115.46(7) . 3_677
Pb32 Mn3 Pb33 64.54(7) 3_677 3_677
Pb3C Mn3 Pb33 9.3(5) 3_677 3_677
Pb3C Mn3 Pb33 170.7(5) . 3_677
Pb2C Mn3 Pb33 58.3(3) 3_677 3_677
Pb2C Mn3 Pb33 121.7(3) . 3_677
Pb4C Mn3 Pb33 73.2(5) 3_677 3_677
Pb4C Mn3 Pb33 106.8(5) . 3_677
Pb33 Mn3 Pb33 180.000(1) . 3_677
Pb34 Mn3 Pb6C 119.1(4) 3_677 3_677
Pb34 Mn3 Pb6C 60.9(4) . 3_677
Pb32 Mn3 Pb6C 121.7(3) . 3_677
Pb32 Mn3 Pb6C 58.3(3) 3_677 3_677
Pb3C Mn3 Pb6C 115.5(3) 3_677 3_677
Pb3C Mn3 Pb6C 64.5(3) . 3_677
Pb2C Mn3 Pb6C 65.3(3) 3_677 3_677
Pb2C Mn3 Pb6C 114.7(3) . 3_677
Pb4C Mn3 Pb6C 110.3(3) 3_677 3_677
Pb4C Mn3 Pb6C 69.7(3) . 3_677
Pb33 Mn3 Pb6C 62.6(2) . 3_677
Pb33 Mn3 Pb6C 117.4(2) 3_677 3_677
Pb34 Mn3 Pb6C 60.9(4) 3_677 .
Pb34 Mn3 Pb6C 119.1(4) . .
Pb32 Mn3 Pb6C 58.3(3) . .
Pb32 Mn3 Pb6C 121.7(3) 3_677 .
Pb3C Mn3 Pb6C 64.5(3) 3_677 .
Pb3C Mn3 Pb6C 115.5(3) . .
Pb2C Mn3 Pb6C 114.7(3) 3_677 .
Pb2C Mn3 Pb6C 65.3(3) . .
Pb4C Mn3 Pb6C 69.7(3) 3_677 .
Pb4C Mn3 Pb6C 110.3(3) . .
Pb33 Mn3 Pb6C 117.4(2) . .
Pb33 Mn3 Pb6C 62.6(2) 3_677 .
Pb6C Mn3 Pb6C 180.0(4) 3_677 .
Pb34 Mn3 Pb1C 63.5(3) 3_677 3_677
Pb34 Mn3 Pb1C 116.5(3) . 3_677
Pb32 Mn3 Pb1C 116.8(3) . 3_677
Pb32 Mn3 Pb1C 63.2(3) 3_677 3_677
Pb3C Mn3 Pb1C 65.1(5) 3_677 3_677
Pb3C Mn3 Pb1C 114.9(5) . 3_677
Pb2C Mn3 Pb1C 65.8(4) 3_677 3_677
Pb2C Mn3 Pb1C 114.2(4) . 3_677
Pb4C Mn3 Pb1C 58.7(4) 3_677 3_677
Pb4C Mn3 Pb1C 121.3(4) . 3_677
Pb33 Mn3 Pb1C 107.6(3) . 3_677
Pb33 Mn3 Pb1C 72.4(3) 3_677 3_677
Pb6C Mn3 Pb1C 61.2(4) 3_677 3_677
Pb6C Mn3 Pb1C 118.8(4) . 3_677
Pb34 Mn3 Pb1C 116.5(3) 3_677 .
Pb34 Mn3 Pb1C 63.5(3) . .
Pb32 Mn3 Pb1C 63.2(3) . .
Pb32 Mn3 Pb1C 116.8(3) 3_677 .
Pb3C Mn3 Pb1C 114.9(5) 3_677 .
Pb3C Mn3 Pb1C 65.1(5) . .
Pb2C Mn3 Pb1C 114.2(4) 3_677 .
Pb2C Mn3 Pb1C 65.8(4) . .
Pb4C Mn3 Pb1C 121.3(4) 3_677 .
Pb4C Mn3 Pb1C 58.7(4) . .
Pb33 Mn3 Pb1C 72.4(3) . .
Pb33 Mn3 Pb1C 107.6(3) 3_677 .
Pb6C Mn3 Pb1C 118.8(4) 3_677 .
Pb6C Mn3 Pb1C 61.2(4) . .
Pb1C Mn3 Pb1C 180.0(6) 3_677 .
Pb34 Mn3 Pb5C 71.2(5) 3_677 3_677
Pb34 Mn3 Pb5C 108.8(5) . 3_677
Pb32 Mn3 Pb5C 70.5(3) . 3_677
Pb32 Mn3 Pb5C 109.5(3) 3_677 3_677
Pb3C Mn3 Pb5C 116.0(3) 3_677 3_677
Pb3C Mn3 Pb5C 64.0(3) . 3_677
Pb2C Mn3 Pb5C 115.5(4) 3_677 3_677
Pb2C Mn3 Pb5C 64.5(4) . 3_677
Pb4C Mn3 Pb5C 60.9(3) 3_677 3_677
Pb4C Mn3 Pb5C 119.1(3) . 3_677
Pb33 Mn3 Pb5C 54.8(4) . 3_677
Pb33 Mn3 Pb5C 125.2(4) 3_677 3_677
Pb6C Mn3 Pb5C 60.1(3) 3_677 3_677
Pb6C Mn3 Pb5C 119.9(3) . 3_677
Pb1C Mn3 Pb5C 59.4(4) 3_677 3_677
Pb1C Mn3 Pb5C 120.6(4) . 3_677
Pb34 Mn3 Pb5C 108.8(5) 3_677 .
Pb34 Mn3 Pb5C 71.2(5) . .
Pb32 Mn3 Pb5C 109.5(3) . .
Pb32 Mn3 Pb5C 70.5(3) 3_677 .
Pb3C Mn3 Pb5C 64.0(3) 3_677 .
Pb3C Mn3 Pb5C 116.0(3) . .
Pb2C Mn3 Pb5C 64.5(4) 3_677 .
Pb2C Mn3 Pb5C 115.5(4) . .
Pb4C Mn3 Pb5C 119.1(3) 3_677 .
Pb4C Mn3 Pb5C 60.9(3) . .
Pb33 Mn3 Pb5C 125.2(4) . .
Pb33 Mn3 Pb5C 54.8(4) 3_677 .
Pb6C Mn3 Pb5C 119.9(3) 3_677 .
Pb6C Mn3 Pb5C 60.1(3) . .
Pb1C Mn3 Pb5C 120.6(4) 3_677 .
Pb1C Mn3 Pb5C 59.4(4) . .
Pb5C Mn3 Pb5C 180.000(3) 3_677 .
Pb34 Mn3 Pb31 63.30(7) 3_677 3_677
Pb34 Mn3 Pb31 116.70(7) . 3_677
Pb32 Mn3 Pb31 116.89(6) . 3_677
Pb32 Mn3 Pb31 63.11(6) 3_677 3_677
Pb3C Mn3 Pb31 64.6(4) 3_677 3_677
Pb3C Mn3 Pb31 115.4(4) . 3_677
Pb2C Mn3 Pb31 65.7(3) 3_677 3_677
Pb2C Mn3 Pb31 114.3(3) . 3_677
Pb4C Mn3 Pb31 58.6(3) 3_677 3_677
Pb4C Mn3 Pb31 121.4(3) . 3_677
Pb33 Mn3 Pb31 108.07(7) . 3_677
Pb33 Mn3 Pb31 71.93(7) 3_677 3_677
Pb6C Mn3 Pb31 61.6(3) 3_677 3_677
Pb6C Mn3 Pb31 118.4(3) . 3_677
Pb1C Mn3 Pb31 0.4(3) 3_677 3_677
Pb1C Mn3 Pb31 179.6(3) . 3_677
Pb5C Mn3 Pb31 59.8(3) 3_677 3_677
Pb5C Mn3 Pb31 120.2(3) . 3_677
Pb34 Mn3 Pb31 116.70(7) 3_677 .
Pb34 Mn3 Pb31 63.30(7) . .
Pb32 Mn3 Pb31 63.11(6) . .
Pb32 Mn3 Pb31 116.89(6) 3_677 .
Pb3C Mn3 Pb31 115.4(4) 3_677 .
Pb3C Mn3 Pb31 64.6(4) . .
Pb2C Mn3 Pb31 114.3(3) 3_677 .
Pb2C Mn3 Pb31 65.7(3) . .
Pb4C Mn3 Pb31 121.4(3) 3_677 .
Pb4C Mn3 Pb31 58.6(3) . .
Pb33 Mn3 Pb31 71.93(7) . .
Pb33 Mn3 Pb31 108.07(7) 3_677 .
Pb6C Mn3 Pb31 118.4(3) 3_677 .
Pb6C Mn3 Pb31 61.6(3) . .
Pb1C Mn3 Pb31 179.6(3) 3_677 .
Pb1C Mn3 Pb31 0.4(3) . .
Pb5C Mn3 Pb31 120.2(3) 3_677 .
Pb5C Mn3 Pb31 59.8(3) . .
Pb31 Mn3 Pb31 180.000(1) 3_677 .
Pb34 Mn3 Pb36 111.79(5) 3_677 3_677
Pb34 Mn3 Pb36 68.21(5) . 3_677
Pb32 Mn3 Pb36 115.67(7) . 3_677
Pb32 Mn3 Pb36 64.33(6) 3_677 3_677
Pb3C Mn3 Pb36 116.1(3) 3_677 3_677
Pb3C Mn3 Pb36 63.9(3) . 3_677
Pb2C Mn3 Pb36 71.4(4) 3_677 3_677
Pb2C Mn3 Pb36 108.6(4) . 3_677
Pb4C Mn3 Pb36 102.6(5) 3_677 3_677
Pb4C Mn3 Pb36 77.4(5) . 3_677
Pb33 Mn3 Pb36 60.42(6) . 3_677
Pb33 Mn3 Pb36 119.58(6) 3_677 3_677
Pb6C Mn3 Pb36 8.5(5) 3_677 3_677
Pb6C Mn3 Pb36 171.5(5) . 3_677
Pb1C Mn3 Pb36 57.2(3) 3_677 3_677
Pb1C Mn3 Pb36 122.8(3) . 3_677
Pb5C Mn3 Pb36 51.8(4) 3_677 3_677
Pb5C Mn3 Pb36 128.2(4) . 3_677
Pb31 Mn3 Pb36 57.54(7) 3_677 3_677
Pb31 Mn3 Pb36 122.46(7) . 3_677
Pb34 Mn3 Pb36 68.21(5) 3_677 .
Pb34 Mn3 Pb36 111.79(5) . .
Pb32 Mn3 Pb36 64.33(6) . .
Pb32 Mn3 Pb36 115.67(7) 3_677 .
Pb3C Mn3 Pb36 63.9(3) 3_677 .
Pb3C Mn3 Pb36 116.1(3) . .
Pb2C Mn3 Pb36 108.6(4) 3_677 .
Pb2C Mn3 Pb36 71.4(4) . .
Pb4C Mn3 Pb36 77.4(5) 3_677 .
Pb4C Mn3 Pb36 102.6(5) . .
Pb33 Mn3 Pb36 119.58(6) . .
Pb33 Mn3 Pb36 60.42(6) 3_677 .
Pb6C Mn3 Pb36 171.5(5) 3_677 .
Pb6C Mn3 Pb36 8.5(5) . .
Pb1C Mn3 Pb36 122.8(3) 3_677 .
Pb1C Mn3 Pb36 57.2(3) . .
Pb5C Mn3 Pb36 128.2(4) 3_677 .
Pb5C Mn3 Pb36 51.8(4) . .
Pb31 Mn3 Pb36 122.46(7) 3_677 .
Pb31 Mn3 Pb36 57.54(7) . .
Pb36 Mn3 Pb36 180.000(1) 3_677 .
Pb34 Mn3 Pb35 115.42(5) 3_677 .
Pb34 Mn3 Pb35 64.58(5) . .
Pb32 Mn3 Pb35 111.13(6) . .
Pb32 Mn3 Pb35 68.87(6) 3_677 .
Pb3C Mn3 Pb35 69.7(5) 3_677 .
Pb3C Mn3 Pb35 110.3(5) . .
Pb2C Mn3 Pb35 63.4(4) 3_677 .
Pb2C Mn3 Pb35 116.6(4) . .
Pb4C Mn3 Pb35 125.8(6) 3_677 .
Pb4C Mn3 Pb35 54.2(6) . .
Pb33 Mn3 Pb35 119.59(6) . .
Pb33 Mn3 Pb35 60.41(6) 3_677 .
Pb6C Mn3 Pb35 114.9(5) 3_677 .
Pb6C Mn3 Pb35 65.1(5) . .
Pb1C Mn3 Pb35 123.2(3) 3_677 .
Pb1C Mn3 Pb35 56.8(3) . .
Pb5C Mn3 Pb35 173.3(5) 3_677 .
Pb5C Mn3 Pb35 6.7(5) . .
Pb31 Mn3 Pb35 122.86(6) 3_677 .
Pb31 Mn3 Pb35 57.14(6) . .
Pb36 Mn3 Pb35 123.33(5) 3_677 .
Pb36 Mn3 Pb35 56.67(5) . .
Pb34 Mn3 Pb35 64.58(5) 3_677 3_677
Pb34 Mn3 Pb35 115.42(5) . 3_677
Pb32 Mn3 Pb35 68.87(6) . 3_677
Pb32 Mn3 Pb35 111.13(6) 3_677 3_677
Pb3C Mn3 Pb35 110.3(5) 3_677 3_677
Pb3C Mn3 Pb35 69.7(5) . 3_677
Pb2C Mn3 Pb35 116.6(4) 3_677 3_677
Pb2C Mn3 Pb35 63.4(4) . 3_677
Pb4C Mn3 Pb35 54.2(6) 3_677 3_677
Pb4C Mn3 Pb35 125.8(6) . 3_677
Pb33 Mn3 Pb35 60.41(6) . 3_677
Pb33 Mn3 Pb35 119.59(6) 3_677 3_677
Pb6C Mn3 Pb35 65.1(5) 3_677 3_677
Pb6C Mn3 Pb35 114.9(5) . 3_677
Pb1C Mn3 Pb35 56.8(3) 3_677 3_677
Pb1C Mn3 Pb35 123.2(3) . 3_677
Pb5C Mn3 Pb35 6.7(5) 3_677 3_677
Pb5C Mn3 Pb35 173.3(5) . 3_677
Pb31 Mn3 Pb35 57.14(6) 3_677 3_677
Pb31 Mn3 Pb35 122.86(6) . 3_677
Pb36 Mn3 Pb35 56.67(5) 3_677 3_677
Pb36 Mn3 Pb35 123.33(5) . 3_677
Pb35 Mn3 Pb35 180.0 . 3_677
Pb35 Pb31 Pb36 59.69(9) . .
Pb35 Pb31 Pb32 107.19(14) . .
Pb36 Pb31 Pb32 62.38(9) . .
Pb35 Pb31 Pb34 63.03(8) . .
Pb36 Pb31 Pb34 106.54(13) . .
Pb32 Pb31 Pb34 97.57(11) . .
Pb35 Pb31 Mn3 62.39(9) . .
Pb36 Pb31 Mn3 61.56(9) . .
Pb32 Pb31 Mn3 53.15(7) . .
Pb34 Pb31 Mn3 53.06(7) . .
Pb35 Pb31 Pb33 106.48(12) . .
Pb36 Pb31 Pb33 105.49(12) . .
Pb32 Pb31 Pb33 53.97(7) . .
Pb34 Pb31 Pb33 54.13(7) . .
Mn3 Pb31 Pb33 51.31(7) . .
Mn3 Pb32 Pb34 57.09(5) . 3_677
Mn3 Pb32 Pb33 59.76(5) . .
Pb34 Pb32 Pb33 104.87(8) 3_677 .
Mn3 Pb32 Pb31 63.74(8) . .
Pb34 Pb32 Pb31 110.31(10) 3_677 .
Pb33 Pb32 Pb31 70.48(8) . .
Mn3 Pb32 Pb36 63.29(6) . .
Pb34 Pb32 Pb36 65.11(7) 3_677 .
Pb33 Pb32 Pb36 114.74(8) . .
Pb31 Pb32 Pb36 57.42(8) . .
Mn3 Pb32 Pb35 61.07(5) . 3_677
Pb34 Pb32 Pb35 59.61(6) 3_677 3_677
Pb33 Pb32 Pb35 56.78(7) . 3_677
Pb31 Pb32 Pb35 116.85(8) . 3_677
Pb36 Pb32 Pb35 116.02(8) . 3_677
Mn3 Pb33 Pb32 55.69(6) . .
Mn3 Pb33 Pb36 63.50(7) . 3_677
Pb32 Pb33 Pb36 110.86(10) . 3_677
Mn3 Pb33 Pb34 55.55(5) . .
Pb32 Pb33 Pb34 100.11(8) . .
Pb36 Pb33 Pb34 66.20(6) 3_677 .
Mn3 Pb33 Pb35 64.08(6) . 3_677
Pb32 Pb33 Pb35 67.25(7) . 3_677
Pb36 Pb33 Pb35 58.64(7) 3_677 3_677
Pb34 Pb33 Pb35 110.82(8) . 3_677
Mn3 Pb33 Pb31 56.76(8) . .
Pb32 Pb33 Pb31 55.55(8) . .
Pb36 Pb33 Pb31 112.32(9) 3_677 .
Pb34 Pb33 Pb31 55.63(6) . .
Pb35 Pb33 Pb31 113.17(10) 3_677 .
Mn3 Pb34 Pb32 57.12(4) . 3_677
Mn3 Pb34 Pb33 59.64(6) . .
Pb32 Pb34 Pb33 104.85(7) 3_677 .
Mn3 Pb34 Pb31 63.64(8) . .
Pb32 Pb34 Pb31 110.30(10) 3_677 .
Pb33 Pb34 Pb31 70.24(7) . .
Mn3 Pb34 Pb35 63.69(5) . .
Pb32 Pb34 Pb35 65.84(7) 3_677 .
Pb33 Pb34 Pb35 114.59(7) . .
Pb31 Pb34 Pb35 56.98(7) . .
Mn3 Pb34 Pb36 60.99(6) . 3_677
Pb32 Pb34 Pb36 59.54(7) 3_677 3_677
Pb33 Pb34 Pb36 56.87(6) . 3_677
Pb31 Pb34 Pb36 116.69(9) . 3_677
Pb35 Pb34 Pb36 116.58(8) . 3_677
Pb36 Pb35 Pb31 60.17(8) . .
Pb36 Pb35 Pb33 60.33(6) . 3_677
Pb31 Pb35 Pb33 106.76(9) . 3_677
Pb36 Pb35 Mn3 61.03(5) . .
Pb31 Pb35 Mn3 60.47(8) . .
Pb33 Pb35 Mn3 55.51(5) 3_677 .
Pb36 Pb35 Pb34 104.62(7) . .
Pb31 Pb35 Pb34 59.99(8) . .
Pb33 Pb35 Pb34 100.05(8) 3_677 .
Mn3 Pb35 Pb34 51.73(4) . .
Pb36 Pb35 Pb32 103.44(7) . 3_677
Pb31 Pb35 Pb32 103.60(9) . 3_677
Pb33 Pb35 Pb32 55.97(7) 3_677 3_677
Mn3 Pb35 Pb32 50.07(4) . 3_677
Pb34 Pb35 Pb32 54.54(7) . 3_677
Pb35 Pb36 Pb31 60.14(8) . .
Pb35 Pb36 Pb33 61.02(7) . 3_677
Pb31 Pb36 Pb33 107.27(11) . 3_677
Pb35 Pb36 Mn3 62.30(6) . .
Pb31 Pb36 Mn3 60.90(8) . .
Pb33 Pb36 Mn3 56.09(6) 3_677 .
Pb35 Pb36 Pb32 105.87(8) . .
Pb31 Pb36 Pb32 60.20(7) . .
Pb33 Pb36 Pb32 101.49(7) 3_677 .
Mn3 Pb36 Pb32 52.38(5) . .
Pb35 Pb36 Pb34 105.44(8) . 3_677
Pb31 Pb36 Pb34 104.67(9) . 3_677
Pb33 Pb36 Pb34 56.93(5) 3_677 3_677
Mn3 Pb36 Pb34 50.81(4) . 3_677
Pb32 Pb36 Pb34 55.35(6) . 3_677
Pb4C Pb1C Mn3 58.8(5) . .
Pb4C Pb1C Pb6C 108.3(6) . .
Mn3 Pb1C Pb6C 58.8(4) . .
Pb4C Pb1C Pb5C 62.1(4) . .
Mn3 Pb1C Pb5C 62.6(4) . .
Pb6C Pb1C Pb5C 60.5(4) . .
Pb4C Pb1C Pb3C 61.0(5) . .
Mn3 Pb1C Pb3C 55.0(4) . .
Pb6C Pb1C Pb3C 105.1(5) . .
Pb5C Pb1C Pb3C 110.2(6) . .
Pb4C Pb1C Pb2C 105.4(7) . .
Mn3 Pb1C Pb2C 55.0(4) . .
Pb6C Pb1C Pb2C 60.6(4) . .
Pb5C Pb1C Pb2C 109.2(6) . .
Pb3C Pb1C Pb2C 55.1(4) . .
Mn3 Pb2C Pb3C 58.7(3) . .
Mn3 Pb2C Pb4C 57.7(3) . 3_677
Pb3C Pb2C Pb4C 106.3(4) . 3_677
Mn3 Pb2C Pb6C 58.8(3) . .
Pb3C Pb2C Pb6C 107.6(5) . .
Pb4C Pb2C Pb6C 64.5(3) 3_677 .
Mn3 Pb2C Pb1C 59.1(4) . .
Pb3C Pb2C Pb1C 61.6(7) . .
Pb4C Pb2C Pb1C 109.0(5) 3_677 .
Pb6C Pb2C Pb1C 57.3(4) . .
Mn3 Pb2C Pb5C 61.9(3) . 3_677
Pb3C Pb2C Pb5C 62.1(4) . 3_677
Pb4C Pb2C Pb5C 57.8(3) 3_677 3_677
Pb6C Pb2C Pb5C 112.3(4) . 3_677
Pb1C Pb2C Pb5C 112.9(6) . 3_677
Mn3 Pb3C Pb2C 59.5(3) . .
Mn3 Pb3C Pb4C 58.5(3) . .
Pb2C Pb3C Pb4C 107.5(5) . .
Mn3 Pb3C Pb6C 59.6(3) . 3_677
Pb2C Pb3C Pb6C 108.8(5) . 3_677
Pb4C Pb3C Pb6C 65.7(3) . 3_677
Mn3 Pb3C Pb1C 59.9(4) . .
Pb2C Pb3C Pb1C 63.2(5) . .
Pb4C Pb3C Pb1C 55.5(3) . .
Pb6C Pb3C Pb1C 110.5(4) 3_677 .
Mn3 Pb3C Pb5C 62.6(3) . 3_677
Pb2C Pb3C Pb5C 63.3(5) . 3_677
Pb4C Pb3C Pb5C 112.8(4) . 3_677
Pb6C Pb3C Pb5C 58.4(3) 3_677 3_677
Pb1C Pb3C Pb5C 115.1(5) . 3_677
Pb1C Pb4C Mn3 62.4(4) . .
Pb1C Pb4C Pb5C 61.4(4) . .
Mn3 Pb4C Pb5C 63.5(3) . .
Pb1C Pb4C Pb3C 63.5(6) . .
Mn3 Pb4C Pb3C 56.8(3) . .
Pb5C Pb4C Pb3C 111.6(5) . .
Pb1C Pb4C Pb2C 109.8(5) . 3_677
Mn3 Pb4C Pb2C 56.7(3) . 3_677
Pb5C Pb4C Pb2C 62.6(4) . 3_677
Pb3C Pb4C Pb2C 104.4(4) . 3_677
Pb1C Pb4C Pb6C 110.4(6) . 3_677
Mn3 Pb4C Pb6C 56.1(3) . 3_677
Pb5C Pb4C Pb6C 110.9(5) . 3_677
Pb3C Pb4C Pb6C 57.5(3) . 3_677
Pb2C Pb4C Pb6C 58.1(3) 3_677 3_677
Pb1C Pb5C Pb6C 59.6(4) . .
Pb1C Pb5C Pb4C 56.5(4) . .
Pb6C Pb5C Pb4C 103.4(4) . .
Pb1C Pb5C Mn3 58.0(4) . .
Pb6C Pb5C Mn3 57.0(3) . .
Pb4C Pb5C Mn3 55.6(4) . .
Pb1C Pb5C Pb3C 104.6(5) . 3_677
Pb6C Pb5C Pb3C 59.5(3) . 3_677
Pb4C Pb5C Pb3C 101.7(5) . 3_677
Mn3 Pb5C Pb3C 53.4(3) . 3_677
Pb1C Pb5C Pb2C 103.7(5) . 3_677
Pb6C Pb5C Pb2C 102.8(4) . 3_677
Pb4C Pb5C Pb2C 59.6(4) . 3_677
Mn3 Pb5C Pb2C 53.6(3) . 3_677
Pb3C Pb5C Pb2C 54.6(3) 3_677 3_677
Mn3 Pb6C Pb1C 60.0(4) . .
Mn3 Pb6C Pb5C 62.8(3) . .
Pb1C Pb6C Pb5C 59.9(4) . .
Mn3 Pb6C Pb3C 55.8(2) . 3_677
Pb1C Pb6C Pb3C 106.8(4) . 3_677
Pb5C Pb6C Pb3C 62.1(4) . 3_677
Mn3 Pb6C Pb2C 55.8(3) . .
Pb1C Pb6C Pb2C 62.1(4) . .
Pb5C Pb6C Pb2C 109.9(5) . .
Pb3C Pb6C Pb2C 103.2(4) 3_677 .
Mn3 Pb6C Pb4C 54.2(3) . 3_677
Pb1C Pb6C Pb4C 107.1(4) . 3_677
Pb5C Pb6C Pb4C 108.6(4) . 3_677
Pb3C Pb6C Pb4C 56.8(3) 3_677 3_677
Pb2C Pb6C Pb4C 57.4(3) . 3_677
O11 K1 O14 122.5(3) . .
O11 K1 O13 98.7(3) . .
O14 K1 O13 61.2(4) . .
O11 K1 O15 98.9(3) . .
O14 K1 O15 133.2(3) . .
O13 K1 O15 94.4(3) . .
O11 K1 O16 137.8(3) . .
O14 K1 O16 95.1(3) . .
O13 K1 O16 117.3(3) . .
O15 K1 O16 59.3(3) . .
O11 K1 O12 60.0(3) . .
O14 K1 O12 98.5(3) . .
O13 K1 O12 138.5(3) . .
O15 K1 O12 122.3(3) . .
O16 K1 O12 99.2(3) . .
O11 K1 N11 60.7(3) . .
O14 K1 N11 119.4(4) . .
O13 K1 N11 58.9(4) . .
O15 K1 N11 60.8(3) . .
O16 K1 N11 119.4(3) . .
O12 K1 N11 120.2(4) . .
O11 K1 N12 120.3(4) . .
O14 K1 N12 60.1(4) . .
O13 K1 N12 120.5(4) . .
O15 K1 N12 118.7(3) . .
O16 K1 N12 60.1(3) . .
O12 K1 N12 60.8(3) . .
N11 K1 N12 179.0(4) . .
C107 N11 C101 109.8(15) . .
C107 N11 C113 110.2(13) . .
C101 N11 C113 109.5(15) . .
C107 N11 K1 111.3(10) . .
C101 N11 K1 108.3(9) . .
C113 N11 K1 107.8(8) . .
C118 N12 C112 110.5(14) . .
C118 N12 C106 108.8(14) . .
C112 N12 C106 111.2(13) . .
C118 N12 K1 110.0(9) . .
C112 N12 K1 108.0(9) . .
C106 N12 K1 108.3(9) . .
C103 O11 C102 110.1(13) . .
C103 O11 K1 118.7(10) . .
C102 O11 K1 118.6(9) . .
C105 O12 C104 109.4(12) . .
C105 O12 K1 117.4(10) . .
C104 O12 K1 111.2(10) . .
C109 O13 C108 109.6(14) . .
C109 O13 K1 113.9(10) . .
C108 O13 K1 116.5(11) . .
C110 O14 C111 112.0(14) . .
C110 O14 K1 113.0(10) . .
C111 O14 K1 117.6(10) . .
C115 O15 C114 111.9(11) . .
C115 O15 K1 112.7(7) . .
C114 O15 K1 116.8(8) . .
C117 O16 C116 110.5(11) . .
C117 O16 K1 111.9(8) . .
C116 O16 K1 115.0(8) . .
N11 C101 C102 113.9(15) . .
N11 C101 H10A 108.8 . .
C102 C101 H10A 108.8 . .
N11 C101 H10B 108.8 . .
C102 C101 H10B 108.8 . .
H10A C101 H10B 107.7 . .
O11 C102 C101 108.1(15) . .
O11 C102 H10C 110.1 . .
C101 C102 H10C 110.1 . .
O11 C102 H10D 110.1 . .
C101 C102 H10D 110.1 . .
H10C C102 H10D 108.4 . .
O11 C103 C104 107.8(15) . .
O11 C103 H10E 110.1 . .
C104 C103 H10E 110.1 . .
O11 C103 H10F 110.1 . .
C104 C103 H10F 110.1 . .
H10E C103 H10F 108.5 . .
O12 C104 C103 109.1(14) . .
O12 C104 H10G 109.9 . .
C103 C104 H10G 109.9 . .
O12 C104 H10H 109.9 . .
C103 C104 H10H 109.9 . .
H10G C104 H10H 108.3 . .
O12 C105 C106 106.5(12) . .
O12 C105 H10I 110.4 . .
C106 C105 H10I 110.4 . .
O12 C105 H10J 110.4 . .
C106 C105 H10J 110.4 . .
H10I C105 H10J 108.6 . .
N12 C106 C105 115.7(13) . .
N12 C106 H10K 108.4 . .
C105 C106 H10K 108.4 . .
N12 C106 H10L 108.4 . .
C105 C106 H10L 108.4 . .
H10K C106 H10L 107.4 . .
N11 C107 C108 111.6(14) . .
N11 C107 H10M 109.3 . .
C108 C107 H10M 109.3 . .
N11 C107 H10N 109.3 . .
C108 C107 H10N 109.3 . .
H10M C107 H10N 108.0 . .
O13 C108 C107 108.6(13) . .
O13 C108 H10O 110.0 . .
C107 C108 H10O 110.0 . .
O13 C108 H10P 110.0 . .
C107 C108 H10P 110.0 . .
H10O C108 H10P 108.3 . .
O13 C109 C110 109.4(15) . .
O13 C109 H10Q 109.8 . .
C110 C109 H10Q 109.8 . .
O13 C109 H10R 109.8 . .
C110 C109 H10R 109.8 . .
H10Q C109 H10R 108.2 . .
O14 C110 C109 112.5(18) . .
O14 C110 H11Q 109.1 . .
C109 C110 H11Q 109.1 . .
O14 C110 H11R 109.1 . .
C109 C110 H11R 109.1 . .
H11Q C110 H11R 107.8 . .
O14 C111 C112 109.1(13) . .
O14 C111 H11A 109.9 . .
C112 C111 H11A 109.9 . .
O14 C111 H11B 109.9 . .
C112 C111 H11B 109.9 . .
H11A C111 H11B 108.3 . .
N12 C112 C111 114.8(13) . .
N12 C112 H11C 108.6 . .
C111 C112 H11C 108.6 . .
N12 C112 H11D 108.6 . .
C111 C112 H11D 108.6 . .
H11C C112 H11D 107.5 . .
C114 C113 N11 113.3(12) . .
C114 C113 H11E 108.9 . .
N11 C113 H11E 108.9 . .
C114 C113 H11F 108.9 . .
N11 C113 H11F 108.9 . .
H11E C113 H11F 107.7 . .
O15 C114 C113 109.8(12) . .
O15 C114 H11G 109.7 . .
C113 C114 H11G 109.7 . .
O15 C114 H11H 109.7 . .
C113 C114 H11H 109.7 . .
H11G C114 H11H 108.2 . .
O15 C115 C116 108.5(12) . .
O15 C115 H11I 110.0 . .
C116 C115 H11I 110.0 . .
O15 C115 H11J 110.0 . .
C116 C115 H11J 110.0 . .
H11I C115 H11J 108.4 . .
O16 C116 C115 106.0(12) . .
O16 C116 H11K 110.5 . .
C115 C116 H11K 110.5 . .
O16 C116 H11L 110.5 . .
C115 C116 H11L 110.5 . .
H11K C116 H11L 108.7 . .
O16 C117 C118 111.1(15) . .
O16 C117 H11M 109.4 . .
C118 C117 H11M 109.4 . .
O16 C117 H11N 109.4 . .
C118 C117 H11N 109.4 . .
H11M C117 H11N 108.0 . .
N12 C118 C117 111.0(14) . .
N12 C118 H11O 109.4 . .
C117 C118 H11O 109.4 . .
N12 C118 H11P 109.4 . .
C117 C118 H11P 109.4 . .
H11O C118 H11P 108.0 . .
O22 K2 O21 60.5(3) . .
O22 K2 O26 97.7(4) . .
O21 K2 O26 137.1(3) . .
O22 K2 O25 122.0(3) . .
O21 K2 O25 97.5(3) . .
O26 K2 O25 61.4(4) . .
O22 K2 O23 138.9(3) . .
O21 K2 O23 99.7(3) . .
O26 K2 O23 117.7(4) . .
O25 K2 O23 94.5(3) . .
O22 K2 O24 99.2(3) . .
O21 K2 O24 123.5(3) . .
O26 K2 O24 94.5(3) . .
O25 K2 O24 133.2(4) . .
O23 K2 O24 60.0(3) . .
O22 K2 N22 60.2(3) . .
O21 K2 N22 120.1(4) . .
O26 K2 N22 59.2(4) . .
O25 K2 N22 119.9(4) . .
O23 K2 N22 119.8(3) . .
O24 K2 N22 60.5(3) . .
O22 K2 N21 120.4(4) . .
O21 K2 N21 60.4(4) . .
O26 K2 N21 120.6(4) . .
O25 K2 N21 60.0(4) . .
O23 K2 N21 59.7(3) . .
O24 K2 N21 119.0(3) . .
N22 K2 N21 179.4(4) . .
C207 N21 C201 111.1(14) . .
C207 N21 C213 108.9(14) . .
C201 N21 C213 112.0(14) . .
C207 N21 K2 109.4(9) . .
C201 N21 K2 108.3(10) . .
C213 N21 K2 107.0(9) . .
C218 N22 C212 108.2(14) . .
C218 N22 C206 110.5(15) . .
C212 N22 C206 109.0(15) . .
C218 N22 K2 111.2(10) . .
C212 N22 K2 110.4(10) . .
C206 N22 K2 107.6(10) . .
C203 O21 C202 108.6(13) . .
C203 O21 K2 112.6(10) . .
C202 O21 K2 117.1(10) . .
C205 O22 C204 111.2(15) . .
C205 O22 K2 120.4(10) . .
C204 O22 K2 116.6(10) . .
C208 O23 C209 112.7(12) . .
C208 O23 K2 114.1(8) . .
C209 O23 K2 112.7(8) . .
C211 O24 C210 113.4(13) . .
C211 O24 K2 116.7(9) . .
C210 O24 K2 111.9(9) . .
C214 O25 C215 112.4(13) . .
C214 O25 K2 118.8(10) . .
C215 O25 K2 113.0(10) . .
C217 O26 C216 111.3(14) . .
C217 O26 K2 118.7(11) . .
C216 O26 K2 111.6(10) . .
N21 C201 C202 113.6(14) . .
N21 C201 H20A 108.8 . .
C202 C201 H20A 108.8 . .
N21 C201 H20B 108.8 . .
C202 C201 H20B 108.8 . .
H20A C201 H20B 107.7 . .
O21 C202 C201 108.5(13) . .
O21 C202 H20C 110.0 . .
C201 C202 H20C 110.0 . .
O21 C202 H20D 110.0 . .
C201 C202 H20D 110.0 . .
H20C C202 H20D 108.4 . .
O21 C203 C204 107.8(16) . .
O21 C203 H20E 110.1 . .
C204 C203 H20E 110.1 . .
O21 C203 H20F 110.1 . .
C204 C203 H20F 110.1 . .
H20E C203 H20F 108.5 . .
O22 C204 C203 111.9(16) . .
O22 C204 H20G 109.2 . .
C203 C204 H20G 109.2 . .
O22 C204 H20H 109.2 . .
C203 C204 H20H 109.2 . .
H20G C204 H20H 107.9 . .
O22 C205 C206 107.9(18) . .
O22 C205 H20I 110.1 . .
C206 C205 H20I 110.1 . .
O22 C205 H20J 110.1 . .
C206 C205 H20J 110.1 . .
H20I C205 H20J 108.4 . .
N22 C206 C205 113.8(15) . .
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 . .
N21 C207 C208 111.3(13) . .
N21 C207 H20M 109.4 . .
C208 C207 H20M 109.4 . .
N21 C207 H20N 109.4 . .
C208 C207 H20N 109.4 . .
H20M C207 H20N 108.0 . .
O23 C208 C207 109.2(14) . .
O23 C208 H20Q 109.8 . .
C207 C208 H20Q 109.8 . .
O23 C208 H20R 109.8 . .
C207 C208 H20R 109.8 . .
H20Q C208 H20R 108.3 . .
C210 C209 O23 109.7(13) . .
C210 C209 H20O 109.7 . .
O23 C209 H20O 109.7 . .
C210 C209 H20P 109.7 . .
O23 C209 H20P 109.7 . .
H20O C209 H20P 108.2 . .
O24 C210 C209 109.4(14) . .
O24 C210 H21A 109.8 . .
C209 C210 H21A 109.8 . .
O24 C210 H21B 109.8 . .
C209 C210 H21B 109.8 . .
H21A C210 H21B 108.2 . .
O24 C211 C212 111.8(14) . .
O24 C211 H21C 109.3 . .
C212 C211 H21C 109.3 . .
O24 C211 H21D 109.3 . .
C212 C211 H21D 109.3 . .
H21C C211 H21D 107.9 . .
N22 C212 C211 111.5(14) . .
N22 C212 H21E 109.3 . .
C211 C212 H21E 109.3 . .
N22 C212 H21F 109.3 . .
C211 C212 H21F 109.3 . .
H21E C212 H21F 108.0 . .
C214 C213 N21 114.6(14) . .
C214 C213 H21Q 108.6 . .
N21 C213 H21Q 108.6 . .
C214 C213 H21R 108.6 . .
N21 C213 H21R 108.6 . .
H21Q C213 H21R 107.6 . .
O25 C214 C213 107.9(13) . .
O25 C214 H21G 110.1 . .
C213 C214 H21G 110.1 . .
O25 C214 H21H 110.1 . .
C213 C214 H21H 110.1 . .
H21G C214 H21H 108.4 . .
C216 C215 O25 111.5(17) . .
C216 C215 H21I 109.3 . .
O25 C215 H21I 109.3 . .
C216 C215 H21J 109.3 . .
O25 C215 H21J 109.3 . .
H21I C215 H21J 108.0 . .
C215 C216 O26 113.2(16) . .
C215 C216 H21K 108.9 . .
O26 C216 H21K 108.9 . .
C215 C216 H21L 108.9 . .
O26 C216 H21L 108.9 . .
H21K C216 H21L 107.8 . .
O26 C217 C218 107.8(13) . .
O26 C217 H21M 110.1 . .
C218 C217 H21M 110.1 . .
O26 C217 H21N 110.1 . .
C218 C217 H21N 110.1 . .
H21M C217 H21N 108.5 . .
N22 C218 C217 112.5(13) . .
N22 C218 H21O 109.1 . .
C217 C218 H21O 109.1 . .
N22 C218 H21P 109.1 . .
C217 C218 H21P 109.1 . .
H21O C218 H21P 107.8 . .
O33 K3 O35 98.8(4) . .
O33 K3 O32 131.8(4) . .
O35 K3 O32 123.1(4) . .
O33 K3 O36 120.8(4) . .
O35 K3 O36 60.2(5) . .
O32 K3 O36 101.6(4) . .
O33 K3 O31 91.7(4) . .
O35 K3 O31 100.1(4) . .
O32 K3 O31 60.8(3) . .
O36 K3 O31 142.8(4) . .
O33 K3 O34 60.2(3) . .
O35 K3 O34 137.8(3) . .
O32 K3 O34 94.9(3) . .
O36 K3 O34 97.5(4) . .
O31 K3 O34 115.5(4) . .
O33 K3 N31 61.2(4) . .
O35 K3 N31 59.2(5) . .
O32 K3 N31 118.6(4) . .
O36 K3 N31 118.6(5) . .
O31 K3 N31 59.0(4) . .
O34 K3 N31 120.9(4) . .
O33 K3 N32 120.7(4) . .
O35 K3 N32 119.2(5) . .
O32 K3 N32 60.9(4) . .
O36 K3 N32 60.2(4) . .
O31 K3 N32 120.8(4) . .
O34 K3 N32 61.1(4) . .
N31 K3 N32 178.0(4) . .
C307 N31 C313 109.0(15) . .
C307 N31 C301 107.8(15) . .
C313 N31 C301 113.0(16) . .
C307 N31 K3 105.9(10) . .
C313 N31 K3 110.1(12) . .
C301 N31 K3 110.8(10) . .
C318 N32 C306 112.3(14) . .
C318 N32 C312 107.9(15) . .
C306 N32 C312 109.6(15) . .
C318 N32 K3 109.9(11) . .
C306 N32 K3 107.4(10) . .
C312 N32 K3 109.6(10) . .
C302 O31 C303 110.2(16) . .
C302 O31 K3 117.9(10) . .
C303 O31 K3 114.0(11) . .
C305 O32 C304 111.2(13) . .
C305 O32 K3 117.0(9) . .
C304 O32 K3 112.6(10) . .
C308 O33 C309 114.0(14) . .
C308 O33 K3 120.8(9) . .
C309 O33 K3 115.4(9) . .
C311 O34 C310 111.6(12) . .
C311 O34 K3 115.3(9) . .
C310 O34 K3 112.0(9) . .
C314 O35 C315 107.3(17) . .
C314 O35 K3 122.3(12) . .
C315 O35 K3 112.6(12) . .
C316 O36 C317 111.6(18) . .
C316 O36 K3 113.6(14) . .
C317 O36 K3 113.8(12) . .
C302 C301 N31 110.9(17) . .
C302 C301 H30A 109.5 . .
N31 C301 H30A 109.5 . .
C302 C301 H30B 109.5 . .
N31 C301 H30B 109.5 . .
H30A C301 H30B 108.0 . .
O31 C302 C301 106.6(17) . .
O31 C302 H30C 110.4 . .
C301 C302 H30C 110.4 . .
O31 C302 H30D 110.4 . .
C301 C302 H30D 110.4 . .
H30C C302 H30D 108.6 . .
C304 C303 O31 109.8(18) . .
C304 C303 H30E 109.7 . .
O31 C303 H30E 109.7 . .
C304 C303 H30F 109.7 . .
O31 C303 H30F 109.7 . .
H30E C303 H30F 108.2 . .
C303 C304 O32 110.7(17) . .
C303 C304 H30G 109.5 . .
O32 C304 H30G 109.5 . .
C303 C304 H30H 109.5 . .
O32 C304 H30H 109.5 . .
H30G C304 H30H 108.1 . .
O32 C305 C306 108.7(16) . .
O32 C305 H30I 109.9 . .
C306 C305 H30I 109.9 . .
O32 C305 H30J 109.9 . .
C306 C305 H30J 109.9 . .
H30I C305 H30J 108.3 . .
N32 C306 C305 114.3(14) . .
N32 C306 H30K 108.7 . .
C305 C306 H30K 108.7 . .
N32 C306 H30L 108.7 . .
C305 C306 H30L 108.7 . .
H30K C306 H30L 107.6 . .
N31 C307 C308 115.2(14) . .
N31 C307 H30M 108.5 . .
C308 C307 H30M 108.5 . .
N31 C307 H30N 108.5 . .
C308 C307 H30N 108.5 . .
H30M C307 H30N 107.5 . .
O33 C308 C307 109.0(13) . .
O33 C308 H30O 109.9 . .
C307 C308 H30O 109.9 . .
O33 C308 H30P 109.9 . .
C307 C308 H30P 109.9 . .
H30O C308 H30P 108.3 . .
O33 C309 C310 114.3(17) . .
O33 C309 H30Q 108.7 . .
C310 C309 H30Q 108.7 . .
O33 C309 H30R 108.7 . .
C310 C309 H30R 108.7 . .
H30Q C309 H30R 107.6 . .
C309 C310 O34 107.1(15) . .
C309 C310 H31A 110.3 . .
O34 C310 H31A 110.3 . .
C309 C310 H31B 110.3 . .
O34 C310 H31B 110.3 . .
H31A C310 H31B 108.5 . .
O34 C311 C312 109.0(15) . .
O34 C311 H31C 109.9 . .
C312 C311 H31C 109.9 . .
O34 C311 H31D 109.9 . .
C312 C311 H31D 109.9 . .
H31C C311 H31D 108.3 . .
C311 C312 N32 112.4(15) . .
C311 C312 H31E 109.1 . .
N32 C312 H31E 109.1 . .
C311 C312 H31F 109.1 . .
N32 C312 H31F 109.1 . .
H31E C312 H31F 107.9 . .
N31 C313 C314 112.3(17) . .
N31 C313 H31G 109.1 . .
C314 C313 H31G 109.1 . .
N31 C313 H31H 109.1 . .
C314 C313 H31H 109.1 . .
H31G C313 H31H 107.9 . .
O35 C314 C313 105.1(16) . .
O35 C314 H31I 110.7 . .
C313 C314 H31I 110.7 . .
O35 C314 H31J 110.7 . .
C313 C314 H31J 110.7 . .
H31I C314 H31J 108.8 . .
O35 C315 C316 111(2) . .
O35 C315 H31Q 109.4 . .
C316 C315 H31Q 109.4 . .
O35 C315 H31R 109.4 . .
C316 C315 H31R 109.4 . .
H31Q C315 H31R 108.0 . .
O36 C316 C315 109.0(19) . .
O36 C316 H31K 109.9 . .
C315 C316 H31K 109.9 . .
O36 C316 H31L 109.9 . .
C315 C316 H31L 109.9 . .
H31K C316 H31L 108.3 . .
O36 C317 C318 110.3(15) . .
O36 C317 H31M 109.6 . .
C318 C317 H31M 109.6 . .
O36 C317 H31N 109.6 . .
C318 C317 H31N 109.6 . .
H31M C317 H31N 108.1 . .
N32 C318 C317 115.3(17) . .
N32 C318 H31O 108.4 . .
C317 C318 H31O 108.4 . .
N32 C318 H31P 108.4 . .
C317 C318 H31P 108.4 . .
H31O C318 H31P 107.5 . .
O42 K4 O45 133.3(4) . .
O42 K4 O43 127.8(4) . .
O45 K4 O43 94.0(3) . .
O42 K4 O44 101.3(4) . .
O45 K4 O44 119.0(3) . .
O43 K4 O44 60.5(3) . .
O42 K4 O46 97.1(3) . .
O45 K4 O46 59.5(3) . .
O43 K4 O46 130.4(3) . .
O44 K4 O46 94.4(3) . .
O42 K4 O41 59.0(3) . .
O45 K4 O41 98.7(3) . .
O43 K4 O41 99.7(3) . .
O44 K4 O41 137.1(3) . .
O46 K4 O41 123.7(3) . .
O42 K4 N42 60.5(4) . .
O45 K4 N42 118.9(3) . .
O43 K4 N42 121.0(4) . .
O44 K4 N42 60.8(4) . .
O46 K4 N42 59.7(3) . .
O41 K4 N42 119.3(4) . .
O42 K4 N41 118.6(4) . .
O45 K4 N41 60.8(3) . .
O43 K4 N41 60.3(3) . .
O44 K4 N41 120.5(4) . .
O46 K4 N41 119.8(3) . .
O41 K4 N41 59.8(3) . .
N42 K4 N41 178.7(4) . .
C407 N41 C413 109.0(14) . .
C407 N41 C401 109.0(12) . .
C413 N41 C401 111.1(14) . .
C407 N41 K4 110.0(10) . .
C413 N41 K4 108.4(8) . .
C401 N41 K4 109.4(9) . .
C418 N42 C412 109.2(13) . .
C418 N42 C406 113.8(16) . .
C412 N42 C406 106.0(14) . .
C418 N42 K4 111.3(9) . .
C412 N42 K4 109.5(10) . .
C406 N42 K4 106.8(10) . .
C402 O41 C403 110.6(11) . .
C402 O41 K4 114.2(9) . .
C403 O41 K4 108.6(9) . .
C404 O42 C405 112.3(14) . .
C404 O42 K4 119.7(10) . .
C405 O42 K4 117.8(9) . .
C409 O43 C408 110.1(13) . .
C409 O43 K4 116.2(9) . .
C408 O43 K4 116.6(10) . .
C411 O44 C410 110.6(13) . .
C411 O44 K4 113.4(11) . .
C410 O44 K4 113.0(9) . .
C415 O45 C414 109.7(11) . .
C415 O45 K4 116.3(8) . .
C414 O45 K4 117.0(9) . .
C416 O46 C417 112.2(10) . .
C416 O46 K4 110.4(7) . .
C417 O46 K4 112.8(8) . .
N41 C401 C402 113.0(14) . .
N41 C401 H40A 109.0 . .
C402 C401 H40A 109.0 . .
N41 C401 H40B 109.0 . .
C402 C401 H40B 109.0 . .
H40A C401 H40B 107.8 . .
O41 C402 C401 108.3(11) . .
O41 C402 H40C 110.0 . .
C401 C402 H40C 110.0 . .
O41 C402 H40D 110.0 . .
C401 C402 H40D 110.0 . .
H40C C402 H40D 108.4 . .
C404 C403 O41 108.8(12) . .
C404 C403 H40E 109.9 . .
O41 C403 H40E 109.9 . .
C404 C403 H40F 109.9 . .
O41 C403 H40F 109.9 . .
H40E C403 H40F 108.3 . .
O42 C404 C403 107.2(15) . .
O42 C404 H40G 110.3 . .
C403 C404 H40G 110.3 . .
O42 C404 H40H 110.3 . .
C403 C404 H40H 110.3 . .
H40G C404 H40H 108.5 . .
O42 C405 C406 104.5(18) . .
O42 C405 H40I 110.9 . .
C406 C405 H40I 110.9 . .
O42 C405 H40J 110.9 . .
C406 C405 H40J 110.9 . .
H40I C405 H40J 108.9 . .
N42 C406 C405 111.3(14) . .
N42 C406 H40K 109.4 . .
C405 C406 H40K 109.4 . .
N42 C406 H40L 109.4 . .
C405 C406 H40L 109.4 . .
H40K C406 H40L 108.0 . .
N41 C407 C408 111.5(13) . .
N41 C407 H40M 109.3 . .
C408 C407 H40M 109.3 . .
N41 C407 H40N 109.3 . .
C408 C407 H40N 109.3 . .
H40M C407 H40N 108.0 . .
O43 C408 C407 105.6(15) . .
O43 C408 H40O 110.6 . .
C407 C408 H40O 110.6 . .
O43 C408 H40P 110.6 . .
C407 C408 H40P 110.6 . .
H40O C408 H40P 108.8 . .
O43 C409 C410 110.0(13) . .
O43 C409 H40Q 109.7 . .
C410 C409 H40Q 109.7 . .
O43 C409 H40R 109.7 . .
C410 C409 H40R 109.7 . .
H40Q C409 H40R 108.2 . .
O44 C410 C409 107.4(14) . .
O44 C410 H41A 110.2 . .
C409 C410 H41A 110.2 . .
O44 C410 H41B 110.2 . .
C409 C410 H41B 110.2 . .
H41A C410 H41B 108.5 . .
O44 C411 C412 107.3(15) . .
O44 C411 H41C 110.3 . .
C412 C411 H41C 110.3 . .
O44 C411 H41D 110.3 . .
C412 C411 H41D 110.3 . .
H41C C411 H41D 108.5 . .
N42 C412 C411 114.7(15) . .
N42 C412 H41E 108.6 . .
C411 C412 H41E 108.6 . .
N42 C412 H41F 108.6 . .
C411 C412 H41F 108.6 . .
H41E C412 H41F 107.6 . .
N41 C413 C414 114.4(14) . .
N41 C413 H41G 108.7 . .
C414 C413 H41G 108.7 . .
N41 C413 H41H 108.7 . .
C414 C413 H41H 108.7 . .
H41G C413 H41H 107.6 . .
O45 C414 C413 106.4(13) . .
O45 C414 H41I 110.5 . .
C413 C414 H41I 110.5 . .
O45 C414 H41J 110.5 . .
C413 C414 H41J 110.5 . .
H41I C414 H41J 108.6 . .
O45 C415 C416 108.3(12) . .
O45 C415 H41K 110.0 . .
C416 C415 H41K 110.0 . .
O45 C415 H41L 110.0 . .
C416 C415 H41L 110.0 . .
H41K C415 H41L 108.4 . .
O46 C416 C415 108.3(11) . .
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 109.2(12) . .
O46 C417 H41O 109.8 . .
C418 C417 H41O 109.8 . .
O46 C417 H41P 109.8 . .
C418 C417 H41P 109.8 . .
H41O C417 H41P 108.3 . .
N42 C418 C417 111.9(12) . .
N42 C418 H41Q 109.2 . .
C417 C418 H41Q 109.2 . .
N42 C418 H41R 109.2 . .
C417 C418 H41R 109.2 . .
H41Q C418 H41R 107.9 . .
O53 K5 O56 120.3(4) . .
O53 K5 O52 134.8(4) . .
O56 K5 O52 100.2(3) . .
O53 K5 O55 98.7(4) . .
O56 K5 O55 58.1(4) . .
O52 K5 O55 120.8(4) . .
O53 K5 O54 59.9(4) . .
O56 K5 O54 99.0(4) . .
O52 K5 O54 97.0(4) . .
O55 K5 O54 137.3(4) . .
O53 K5 O51 97.9(4) . .
O56 K5 O51 136.6(3) . .
O52 K5 O51 57.4(3) . .
O55 K5 O51 99.2(3) . .
O54 K5 O51 118.8(4) . .
O53 K5 N51 62.5(4) . .
O56 K5 N51 118.1(4) . .
O52 K5 N51 116.9(4) . .
O55 K5 N51 60.5(4) . .
O54 K5 N51 121.5(4) . .
O51 K5 N51 60.4(4) . .
O53 K5 N52 120.5(4) . .
O56 K5 N52 60.3(4) . .
O52 K5 N52 61.7(4) . .
O55 K5 N52 117.5(4) . .
O54 K5 N52 61.5(4) . .
O51 K5 N52 118.7(4) . .
N51 K5 N52 177.0(4) . .
C513 N51 C501 110.2(14) . .
C513 N51 C507 111.0(15) . .
C501 N51 C507 106.8(15) . .
C513 N51 K5 111.7(10) . .
C501 N51 K5 111.2(10) . .
C507 N51 K5 105.7(10) . .
C512 N52 C506 102.6(19) . .
C512 N52 C518 112.9(15) . .
C506 N52 C518 114.7(17) . .
C512 N52 K5 108.3(10) . .
C506 N52 K5 108.6(10) . .
C518 N52 K5 109.4(12) . .
C503 O51 C502 112.2(13) . .
C503 O51 K5 112.7(8) . .
C502 O51 K5 110.5(9) . .
C504 O52 C505 112.2(15) . .
C504 O52 K5 117.3(9) . .
C505 O52 K5 116.4(10) . .
C508 O53 C509 111.8(14) . .
C508 O53 K5 116.6(11) . .
C509 O53 K5 118.3(10) . .
C510 O54 C511 113.3(16) . .
C510 O54 K5 116.1(13) . .
C511 O54 K5 113.5(9) . .
C514 O55 C515 109.7(14) . .
C514 O55 K5 114.7(10) . .
C515 O55 K5 115.1(12) . .
C517 O56 C516 111.5(15) . .
C517 O56 K5 117.7(11) . .
C516 O56 K5 117.3(10) . .
N51 C501 C502 111.5(15) . .
N51 C501 H50A 109.3 . .
C502 C501 H50A 109.3 . .
N51 C501 H50B 109.3 . .
C502 C501 H50B 109.3 . .
H50A C501 H50B 108.0 . .
O51 C502 C501 108.4(13) . .
O51 C502 H50C 110.0 . .
C501 C502 H50C 110.0 . .
O51 C502 H50D 110.0 . .
C501 C502 H50D 110.0 . .
H50C C502 H50D 108.4 . .
O51 C503 C504 107.4(13) . .
O51 C503 H50E 110.2 . .
C504 C503 H50E 110.2 . .
O51 C503 H50F 110.2 . .
C504 C503 H50F 110.2 . .
H50E C503 H50F 108.5 . .
O52 C504 C503 109.6(16) . .
O52 C504 H50G 109.7 . .
C503 C504 H50G 109.7 . .
O52 C504 H50H 109.7 . .
C503 C504 H50H 109.7 . .
H50G C504 H50H 108.2 . .
O52 C505 C506 107.7(19) . .
O52 C505 H50I 110.2 . .
C506 C505 H50I 110.2 . .
O52 C505 H50J 110.2 . .
C506 C505 H50J 110.2 . .
H50I C505 H50J 108.5 . .
N52 C506 C505 120.8(18) . .
N52 C506 H50K 107.1 . .
C505 C506 H50K 107.1 . .
N52 C506 H50L 107.1 . .
C505 C506 H50L 107.1 . .
H50K C506 H50L 106.8 . .
N51 C507 C508 117.0(15) . .
N51 C507 H50M 108.1 . .
C508 C507 H50M 108.1 . .
N51 C507 H50N 108.1 . .
C508 C507 H50N 108.1 . .
H50M C507 H50N 107.3 . .
O53 C508 C507 109.5(14) . .
O53 C508 H50O 109.8 . .
C507 C508 H50O 109.8 . .
O53 C508 H50P 109.8 . .
C507 C508 H50P 109.8 . .
H50O C508 H50P 108.2 . .
O53 C509 C510 111.4(15) . .
O53 C509 H50Q 109.3 . .
C510 C509 H50Q 109.3 . .
O53 C509 H50R 109.3 . .
C510 C509 H50R 109.3 . .
H50Q C509 H50R 108.0 . .
O54 C510 C509 109.9(17) . .
O54 C510 H51A 109.7 . .
C509 C510 H51A 109.7 . .
O54 C510 H51B 109.7 . .
C509 C510 H51B 109.7 . .
H51A C510 H51B 108.2 . .
O54 C511 C512 111.6(12) . .
O54 C511 H51C 109.3 . .
C512 C511 H51C 109.3 . .
O54 C511 H51D 109.3 . .
C512 C511 H51D 109.3 . .
H51C C511 H51D 108.0 . .
N52 C512 C511 117.9(15) . .
N52 C512 H51E 107.8 . .
C511 C512 H51E 107.8 . .
N52 C512 H51F 107.8 . .
C511 C512 H51F 107.8 . .
H51E C512 H51F 107.2 . .
N51 C513 C514 113.8(14) . .
N51 C513 H51G 108.8 . .
C514 C513 H51G 108.8 . .
N51 C513 H51H 108.8 . .
C514 C513 H51H 108.8 . .
H51G C513 H51H 107.7 . .
O55 C514 C513 109.8(15) . .
O55 C514 H51I 109.7 . .
C513 C514 H51I 109.7 . .
O55 C514 H51J 109.7 . .
C513 C514 H51J 109.7 . .
H51I C514 H51J 108.2 . .
C516 C515 O55 106.1(16) . .
C516 C515 H51K 110.5 . .
O55 C515 H51K 110.5 . .
C516 C515 H51L 110.5 . .
O55 C515 H51L 110.5 . .
H51K C515 H51L 108.7 . .
C515 C516 O56 109.4(16) . .
C515 C516 H51M 109.8 . .
O56 C516 H51M 109.8 . .
C515 C516 H51N 109.8 . .
O56 C516 H51N 109.8 . .
H51M C516 H51N 108.2 . .
O56 C517 C518 109.3(16) . .
O56 C517 H51O 109.8 . .
C518 C517 H51O 109.8 . .
O56 C517 H51P 109.8 . .
C518 C517 H51P 109.8 . .
H51O C517 H51P 108.3 . .
N52 C518 C517 115.7(14) . .
N52 C518 H51Q 108.4 . .
C517 C518 H51Q 108.4 . .
N52 C518 H51R 108.4 . .
C517 C518 H51R 108.4 . .
H51Q C518 H51R 107.4 . .
O65 K6 O62 134.0(5) . .
O65 K6 O64 118.5(5) . .
O62 K6 O64 101.8(5) . .
O65 K6 O63 99.0(5) . .
O62 K6 O63 120.8(4) . .
O64 K6 O63 60.5(5) . .
O65 K6 O66 59.9(5) . .
O62 K6 O66 94.8(4) . .
O64 K6 O66 98.6(6) . .
O63 K6 O66 140.6(5) . .
O65 K6 N62 118.4(5) . .
O62 K6 N62 60.9(4) . .
O64 K6 N62 62.4(5) . .
O63 K6 N62 121.6(5) . .
O66 K6 N62 59.4(6) . .
O65 K6 O61 100.2(4) . .
O62 K6 O61 57.0(3) . .
O64 K6 O61 136.1(4) . .
O63 K6 O61 95.6(4) . .
O66 K6 O61 119.5(6) . .
N62 K6 O61 117.6(4) . .
O65 K6 N61 62.7(5) . .
O62 K6 N61 116.0(4) . .
O64 K6 N61 120.1(5) . .
O63 K6 N61 60.5(4) . .
O66 K6 N61 121.0(6) . .
N62 K6 N61 176.8(4) . .
O61 K6 N61 59.3(3) . .
C601 N61 C607 108.3(17) . .
C601 N61 C613 107.5(15) . .
C607 N61 C613 112.8(14) . .
C601 N61 K6 111.6(11) . .
C607 N61 K6 110.9(10) . .
C613 N61 K6 105.8(12) . .
C606 N62 C612 118(2) . .
C606 N62 C618 111.8(19) . .
C612 N62 C618 99(2) . .
C606 N62 K6 111.1(10) . .
C612 N62 K6 105.3(15) . .
C618 N62 K6 110.4(16) . .
C603 O61 C602 109.6(13) . .
C603 O61 K6 108.6(10) . .
C602 O61 K6 113.2(9) . .
C604 O62 C605 116.0(14) . .
C604 O62 K6 122.5(10) . .
C605 O62 K6 118.3(10) . .
C609 O63 C608 111.4(17) . .
C609 O63 K6 112.4(13) . .
C608 O63 K6 115.7(12) . .
C610 O64 C611 109.7(19) . .
C610 O64 K6 114.0(13) . .
C611 O64 K6 116.0(16) . .
C614 O65 C615 110.0(16) . .
C614 O65 K6 113.6(10) . .
C615 O65 K6 113.2(13) . .
C616 O66 C617 107(3) . .
C616 O66 K6 112.2(17) . .
C617 O66 K6 113.1(16) . .
N61 C601 C602 112.8(15) . .
N61 C601 H60A 109.0 . .
C602 C601 H60A 109.0 . .
N61 C601 H60B 109.0 . .
C602 C601 H60B 109.0 . .
H60A C601 H60B 107.8 . .
O61 C602 C601 108.6(15) . .
O61 C602 H60C 110.0 . .
C601 C602 H60C 110.0 . .
O61 C602 H60D 110.0 . .
C601 C602 H60D 110.0 . .
H60C C602 H60D 108.3 . .
O61 C603 C604 106.3(14) . .
O61 C603 H60E 110.5 . .
C604 C603 H60E 110.5 . .
O61 C603 H60F 110.5 . .
C604 C603 H60F 110.5 . .
H60E C603 H60F 108.7 . .
O62 C604 C603 111.6(15) . .
O62 C604 H60G 109.3 . .
C603 C604 H60G 109.3 . .
O62 C604 H60H 109.3 . .
C603 C604 H60H 109.3 . .
H60G C604 H60H 108.0 . .
O62 C605 C606 114.1(13) . .
O62 C605 H60I 108.7 . .
C606 C605 H60I 108.7 . .
O62 C605 H60J 108.7 . .
C606 C605 H60J 108.7 . .
H60I C605 H60J 107.6 . .
N62 C606 C605 115.0(13) . .
N62 C606 H60K 108.5 . .
C605 C606 H60K 108.5 . .
N62 C606 H60L 108.5 . .
C605 C606 H60L 108.5 . .
H60K C606 H60L 107.5 . .
N61 C607 C608 111.5(17) . .
N61 C607 H60M 109.3 . .
C608 C607 H60M 109.3 . .
N61 C607 H60N 109.3 . .
C608 C607 H60N 109.3 . .
H60M C607 H60N 108.0 . .
O63 C608 C607 109.5(15) . .
O63 C608 H60O 109.8 . .
C607 C608 H60O 109.8 . .
O63 C608 H60P 109.8 . .
C607 C608 H60P 109.8 . .
H60O C608 H60P 108.2 . .
O63 C609 C610 109(2) . .
O63 C609 H60Q 109.8 . .
C610 C609 H60Q 109.8 . .
O63 C609 H60R 109.8 . .
C610 C609 H60R 109.8 . .
H60Q C609 H60R 108.2 . .
O64 C610 C609 107(2) . .
O64 C610 H61A 110.2 . .
C609 C610 H61A 110.2 . .
O64 C610 H61B 110.2 . .
C609 C610 H61B 110.2 . .
H61A C610 H61B 108.5 . .
O64 C611 C612 102(2) . .
O64 C611 H61C 111.3 . .
C612 C611 H61C 111.3 . .
O64 C611 H61D 111.3 . .
C612 C611 H61D 111.3 . .
H61C C611 H61D 109.2 . .
N62 C612 C611 111(2) . .
N62 C612 H61O 109.3 . .
C611 C612 H61O 109.3 . .
N62 C612 H61P 109.3 . .
C611 C612 H61P 109.3 . .
H61O C612 H61P 108.0 . .
C614 C613 N61 115.1(15) . .
C614 C613 H61E 108.5 . .
N61 C613 H61E 108.5 . .
C614 C613 H61F 108.5 . .
N61 C613 H61F 108.5 . .
H61E C613 H61F 107.5 . .
O65 C614 C613 111.2(16) . .
O65 C614 H61G 109.4 . .
C613 C614 H61G 109.4 . .
O65 C614 H61H 109.4 . .
C613 C614 H61H 109.4 . .
H61G C614 H61H 108.0 . .
C616 C615 O65 112(2) . .
C616 C615 H61Q 109.2 . .
O65 C615 H61Q 109.2 . .
C616 C615 H61R 109.2 . .
O65 C615 H61R 109.2 . .
H61Q C615 H61R 107.9 . .
C615 C616 O66 108(3) . .
C615 C616 H61I 110.1 . .
O66 C616 H61I 110.1 . .
C615 C616 H61J 110.1 . .
O66 C616 H61J 110.1 . .
H61I C616 H61J 108.5 . .
O66 C617 C618 102(3) . .
O66 C617 H61K 111.3 . .
C618 C617 H61K 111.3 . .
O66 C617 H61L 111.3 . .
C618 C617 H61L 111.3 . .
H61K C617 H61L 109.2 . .
C617 C618 N62 115(2) . .
C617 C618 H61M 108.4 . .
N62 C618 H61M 108.4 . .
C617 C618 H61N 108.4 . .
N62 C618 H61N 108.4 . .
H61M C618 H61N 107.5 . .
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 113(3) . .
C2E C1E H1E4 109.1 . .
N1E C1E H1E4 109.1 . .
C2E C1E H1E5 109.1 . .
N1E C1E H1E5 109.1 . .
H1E4 C1E H1E5 107.8 . .
C1E C2E N2E 113(3) . .
C1E C2E H2E1 109.1 . .
N2E C2E H2E1 109.1 . .
C1E C2E H2E2 109.1 . .
N2E C2E H2E2 109.1 . .
H2E1 C2E H2E2 107.8 . .
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 112(2) . .
C2S C1S H1S4 109.2 . .
N1S C1S H1S4 109.2 . .
C2S C1S H1S5 109.2 . .
N1S C1S H1S5 109.2 . .
H1S4 C1S H1S5 107.9 . .
C1S C2S N2S 112.1(19) . .
C1S C2S H2S1 109.2 . .
N2S C2S H2S1 109.2 . .
C1S C2S H2S2 109.2 . .
N2S C2S H2S2 109.2 . .
H2S1 C2S H2S2 107.9 . .
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 . .
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 114(2) . .
N2R C2R H2R1 108.7 . .
C1R C2R H2R1 108.7 . .
N2R C2R H2R2 108.7 . .
C1R C2R H2R2 108.7 . .
H2R1 C2R H2R2 107.6 . .
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 . .
C1T N1T H1T1 109.5 . .
C1T N1T H1T2 109.5 . .
H1T1 N1T H1T2 109.5 . .
C1T N1T H1T3 109.5 . .
H1T1 N1T H1T3 109.5 . .
H1T2 N1T H1T3 109.5 . .
N1T C1T C2T 118(2) . .
N1T C1T H1T4 107.7 . .
C2T C1T H1T4 107.7 . .
N1T C1T H1T5 107.7 . .
C2T C1T H1T5 107.7 . .
H1T4 C1T H1T5 107.1 . .
C1T C2T N2T 115(2) . .
C1T C2T H2T1 108.5 . .
N2T C2T H2T1 108.5 . .
C1T C2T H2T2 108.5 . .
N2T C2T H2T2 108.5 . .
H2T1 C2T H2T2 107.5 . .
C2T N2T H2T4 109.5 . .
C2T N2T H2T5 109.5 . .
H2T4 N2T H2T5 109.5 . .
C2T N2T H2T6 109.5 . .
H2T4 N2T H2T6 109.5 . .
H2T5 N2T H2T6 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 Pb10 2.8761(19) .
Mn1 Pb12 2.877(2) .
Mn1 Pb11 2.8860(19) .
Mn1 Pb9 2.891(2) .
Mn1 Pb5 3.0753(19) .
Mn1 Pb8 3.0824(19) .
Mn1 Pb6 3.091(2) .
Mn1 Pb7 3.098(2) .
Mn1 Pb4 3.270(2) .
Mn1 Pb2 3.2705(18) .
Mn1 Pb1 3.273(2) .
Mn1 Pb3 3.2734(18) .
Pb1 Pb5 3.1062(11) .
Pb1 Pb6 3.1211(11) .
Pb1 Pb2 3.1261(9) .
Pb1 Pb9 3.3677(13) .
Pb1 Pb10 3.3858(10) .
Pb2 Pb6 3.1060(11) .
Pb2 Pb5 3.1134(11) .
Pb2 Pb11 3.3783(16) .
Pb2 Pb12 3.4206(10) .
Pb3 Pb8 3.1155(12) .
Pb3 Pb7 3.1175(11) .
Pb3 Pb4 3.1430(10) .
Pb3 Pb9 3.3736(10) .
Pb3 Pb10 3.3815(16) .
Pb4 Pb8 3.1116(11) .
Pb4 Pb7 3.1200(11) .
Pb4 Pb11 3.3582(10) .
Pb4 Pb12 3.3728(13) .
Pb5 Pb9 3.1510(10) .
Pb5 Pb11 3.1840(10) .
Pb5 Pb7 3.6264(15) .
Pb6 Pb12 3.1757(12) .
Pb6 Pb10 3.1882(11) .
Pb6 Pb8 3.7095(14) .
Pb7 Pb9 3.1702(12) .
Pb7 Pb11 3.1923(12) .
Pb8 Pb12 3.1447(10) .
Pb8 Pb10 3.1812(11) .
Pb9 Pb10 3.1271(10) .
Pb11 Pb12 3.1293(10) .
Mn2 Pb23 2.850(4) 3_567
Mn2 Pb23 2.850(4) .
Mn2 Pb24 2.889(5) .
Mn2 Pb24 2.889(5) 3_567
Mn2 Pb3B 2.904(7) .
Mn2 Pb3B 2.904(7) 3_567
Mn2 Pb2B 2.916(5) 3_567
Mn2 Pb2B 2.916(5) .
Mn2 Pb22 3.035(5) .
Mn2 Pb22 3.035(5) 3_567
Mn2 Pb26 3.043(5) 3_567
Mn2 Pb26 3.043(5) .
Mn2 Pb5B 3.062(9) .
Mn2 Pb5B 3.062(9) 3_567
Mn2 Pb4B 3.156(8) .
Mn2 Pb4B 3.156(8) 3_567
Mn2 Pb1B 3.188(8) 3_567
Mn2 Pb1B 3.188(8) .
Mn2 Pb6B 3.200(4) .
Mn2 Pb6B 3.200(4) 3_567
Mn2 Pb25 3.293(6) .
Mn2 Pb25 3.293(6) 3_567
Mn2 Pb21 3.295(5) 3_567
Mn2 Pb21 3.295(5) .
Pb21 Pb25 3.125(7) .
Pb21 Pb26 3.127(6) .
Pb21 Pb24 3.225(7) .
Pb21 Pb23 3.355(7) .
Pb21 Pb22 3.499(9) .
Pb22 Pb23 3.081(6) .
Pb22 Pb26 3.139(4) .
Pb22 Pb24 3.207(8) 3_567
Pb22 Pb25 3.346(8) 3_567
Pb23 Pb24 2.862(11) .
Pb23 Pb26 3.268(6) 3_567
Pb23 Pb25 3.467(9) 3_567
Pb24 Pb26 3.148(12) 3_567
Pb24 Pb22 3.207(8) 3_567
Pb24 Pb25 3.245(8) .
Pb25 Pb22 3.346(8) 3_567
Pb25 Pb26 3.401(9) .
Pb25 Pb23 3.467(9) 3_567
Pb26 Pb24 3.148(11) 3_567
Pb26 Pb23 3.268(6) 3_567
Pb1B Pb2B 3.088(10) .
Pb1B Pb6B 3.095(8) .
Pb1B Pb5B 3.129(11) .
Pb1B Pb4B 3.183(11) .
Pb1B Pb3B 3.291(10) .
Pb2B Pb3B 3.104(8) .
Pb2B Pb6B 3.152(5) .
Pb2B Pb4B 3.209(10) 3_567
Pb2B Pb5B 3.499(10) 3_567
Pb3B Pb5B 3.099(13) 3_567
Pb3B Pb6B 3.293(7) 3_567
Pb3B Pb4B 3.543(15) .
Pb4B Pb5B 2.961(13) .
Pb4B Pb2B 3.209(10) 3_567
Pb4B Pb6B 3.966(15) 3_567
Pb5B Pb6B 2.874(12) .
Pb5B Pb3B 3.099(13) 3_567
Pb5B Pb2B 3.499(10) 3_567
Pb6B Pb3B 3.293(7) 3_567
Mn3 Pb34 2.8756(17) 3_677
Mn3 Pb34 2.8756(17) .
Mn3 Pb32 2.8767(18) .
Mn3 Pb32 2.8767(18) 3_677
Mn3 Pb3C 2.908(10) 3_677
Mn3 Pb3C 2.908(10) .
Mn3 Pb2C 2.933(11) 3_677
Mn3 Pb2C 2.933(11) .
Mn3 Pb4C 2.965(15) 3_677
Mn3 Pb4C 2.965(15) .
Mn3 Pb33 3.009(3) .
Mn3 Pb33 3.009(3) 3_677
Mn3 Pb6C 3.032(11) 3_677
Mn3 Pb6C 3.032(11) .
Mn3 Pb1C 3.072(19) 3_677
Mn3 Pb1C 3.072(19) .
Mn3 Pb5C 3.217(13) 3_677
Mn3 Pb5C 3.217(13) .
Mn3 Pb31 3.224(4) 3_677
Mn3 Pb31 3.224(4) .
Mn3 Pb36 3.245(2) 3_677
Mn3 Pb36 3.245(2) .
Mn3 Pb35 3.283(2) .
Mn3 Pb35 3.283(2) 3_677
Pb31 Pb35 3.113(4) .
Pb31 Pb36 3.114(5) .
Pb31 Pb32 3.206(4) .
Pb31 Pb34 3.214(4) .
Pb31 Pb33 3.665(4) .
Pb32 Pb34 3.124(3) 3_677
Pb32 Pb33 3.144(4) .
Pb32 Pb36 3.274(3) .
Pb32 Pb35 3.499(3) 3_677
Pb33 Pb36 3.153(3) 3_677
Pb33 Pb34 3.155(2) .
Pb33 Pb35 3.174(3) 3_677
Pb34 Pb32 3.124(3) 3_677
Pb34 Pb35 3.308(3) .
Pb34 Pb36 3.445(2) 3_677
Pb35 Pb36 3.099(3) .
Pb35 Pb33 3.174(3) 3_677
Pb35 Pb32 3.499(3) 3_677
Pb36 Pb33 3.153(3) 3_677
Pb36 Pb34 3.445(2) 3_677
Pb1C Pb4C 2.96(2) .
Pb1C Pb6C 3.11(2) .
Pb1C Pb5C 3.118(19) .
Pb1C Pb3C 3.22(3) .
Pb1C Pb2C 3.27(2) .
Pb2C Pb3C 3.001(14) .
Pb2C Pb4C 3.198(16) 3_677
Pb2C Pb6C 3.221(14) .
Pb2C Pb5C 3.290(19) 3_677
Pb3C Pb4C 3.145(15) .
Pb3C Pb6C 3.173(14) 3_677
Pb3C Pb5C 3.256(16) 3_677
Pb4C Pb5C 3.139(16) .
Pb4C Pb2C 3.198(16) 3_677
Pb4C Pb6C 3.427(13) 3_677
Pb5C Pb6C 3.136(16) .
Pb5C Pb3C 3.256(16) 3_677
Pb5C Pb2C 3.290(19) 3_677
Pb6C Pb3C 3.173(14) 3_677
Pb6C Pb4C 3.427(13) 3_677
K1 O11 2.775(10) .
K1 O14 2.816(10) .
K1 O13 2.833(10) .
K1 O15 2.835(9) .
K1 O16 2.848(10) .
K1 O12 2.849(10) .
K1 N11 3.017(13) .
K1 N12 3.027(12) .
N11 C107 1.46(2) .
N11 C101 1.47(2) .
N11 C113 1.49(2) .
N12 C118 1.452(19) .
N12 C112 1.46(2) .
N12 C106 1.47(2) .
O11 C103 1.419(19) .
O11 C102 1.43(2) .
O12 C105 1.451(18) .
O12 C104 1.45(2) .
O13 C109 1.40(2) .
O13 C108 1.42(2) .
O14 C110 1.40(2) .
O14 C111 1.41(2) .
O15 C115 1.399(17) .
O15 C114 1.437(16) .
O16 C117 1.396(18) .
O16 C116 1.399(17) .
C101 C102 1.52(3) .
C101 H10A 0.9900 .
C101 H10B 0.9900 .
C102 H10C 0.9900 .
C102 H10D 0.9900 .
C103 C104 1.50(3) .
C103 H10E 0.9900 .
C103 H10F 0.9900 .
C104 H10G 0.9900 .
C104 H10H 0.9900 .
C105 C106 1.53(2) .
C105 H10I 0.9900 .
C105 H10J 0.9900 .
C106 H10K 0.9900 .
C106 H10L 0.9900 .
C107 C108 1.48(3) .
C107 H10M 0.9900 .
C107 H10N 0.9900 .
C108 H10O 0.9900 .
C108 H10P 0.9900 .
C109 C110 1.51(3) .
C109 H10Q 0.9900 .
C109 H10R 0.9900 .
C110 H11Q 0.9900 .
C110 H11R 0.9900 .
C111 C112 1.48(3) .
C111 H11A 0.9900 .
C111 H11B 0.9900 .
C112 H11C 0.9900 .
C112 H11D 0.9900 .
C113 C114 1.49(2) .
C113 H11E 0.9900 .
C113 H11F 0.9900 .
C114 H11G 0.9900 .
C114 H11H 0.9900 .
C115 C116 1.52(2) .
C115 H11I 0.9900 .
C115 H11J 0.9900 .
C116 H11K 0.9900 .
C116 H11L 0.9900 .
C117 C118 1.50(2) .
C117 H11M 0.9900 .
C117 H11N 0.9900 .
C118 H11O 0.9900 .
C118 H11P 0.9900 .
K2 O22 2.763(10) .
K2 O21 2.814(11) .
K2 O26 2.822(11) .
K2 O25 2.822(11) .
K2 O23 2.842(10) .
K2 O24 2.850(10) .
K2 N22 3.016(13) .
K2 N21 3.055(12) .
N21 C207 1.44(2) .
N21 C201 1.47(2) .
N21 C213 1.52(2) .
N22 C218 1.46(2) .
N22 C212 1.46(2) .
N22 C206 1.49(2) .
O21 C203 1.43(2) .
O21 C202 1.457(18) .
O22 C205 1.37(2) .
O22 C204 1.40(2) .
O23 C208 1.400(17) .
O23 C209 1.443(17) .
O24 C211 1.412(19) .
O24 C210 1.413(18) .
O25 C214 1.43(2) .
O25 C215 1.44(2) .
O26 C217 1.42(2) .
O26 C216 1.43(2) .
C201 C202 1.51(2) .
C201 H20A 0.9900 .
C201 H20B 0.9900 .
C202 H20C 0.9900 .
C202 H20D 0.9900 .
C203 C204 1.48(3) .
C203 H20E 0.9900 .
C203 H20F 0.9900 .
C204 H20G 0.9900 .
C204 H20H 0.9900 .
C205 C206 1.52(3) .
C205 H20I 0.9900 .
C205 H20J 0.9900 .
C206 H20K 0.9900 .
C206 H20L 0.9900 .
C207 C208 1.53(2) .
C207 H20M 0.9900 .
C207 H20N 0.9900 .
C208 H20Q 0.9900 .
C208 H20R 0.9900 .
C209 C210 1.43(2) .
C209 H20O 0.9900 .
C209 H20P 0.9900 .
C210 H21A 0.9900 .
C210 H21B 0.9900 .
C211 C212 1.54(2) .
C211 H21C 0.9900 .
C211 H21D 0.9900 .
C212 H21E 0.9900 .
C212 H21F 0.9900 .
C213 C214 1.46(3) .
C213 H21Q 0.9900 .
C213 H21R 0.9900 .
C214 H21G 0.9900 .
C214 H21H 0.9900 .
C215 C216 1.42(3) .
C215 H21I 0.9900 .
C215 H21J 0.9900 .
C216 H21K 0.9900 .
C216 H21L 0.9900 .
C217 C218 1.52(3) .
C217 H21M 0.9900 .
C217 H21N 0.9900 .
C218 H21O 0.9900 .
C218 H21P 0.9900 .
K3 O33 2.739(11) .
K3 O35 2.785(12) .
K3 O32 2.791(11) .
K3 O36 2.844(13) .
K3 O31 2.859(12) .
K3 O34 2.864(11) .
K3 N31 2.970(15) .
K3 N32 2.989(14) .
N31 C307 1.47(2) .
N31 C313 1.50(3) .
N31 C301 1.52(2) .
N32 C318 1.41(2) .
N32 C306 1.46(2) .
N32 C312 1.55(2) .
O31 C302 1.39(2) .
O31 C303 1.474(19) .
O32 C305 1.41(2) .
O32 C304 1.51(2) .
O33 C308 1.382(18) .
O33 C309 1.40(2) .
O34 C311 1.43(2) .
O34 C310 1.462(18) .
O35 C314 1.38(2) .
O35 C315 1.44(2) .
O36 C316 1.37(2) .
O36 C317 1.44(3) .
C301 C302 1.50(3) .
C301 H30A 0.9900 .
C301 H30B 0.9900 .
C302 H30C 0.9900 .
C302 H30D 0.9900 .
C303 C304 1.40(3) .
C303 H30E 0.9900 .
C303 H30F 0.9900 .
C304 H30G 0.9900 .
C304 H30H 0.9900 .
C305 C306 1.49(3) .
C305 H30I 0.9900 .
C305 H30J 0.9900 .
C306 H30K 0.9900 .
C306 H30L 0.9900 .
C307 C308 1.49(2) .
C307 H30M 0.9900 .
C307 H30N 0.9900 .
C308 H30O 0.9900 .
C308 H30P 0.9900 .
C309 C310 1.41(3) .
C309 H30Q 0.9900 .
C309 H30R 0.9900 .
C310 H31A 0.9900 .
C310 H31B 0.9900 .
C311 C312 1.50(2) .
C311 H31C 0.9900 .
C311 H31D 0.9900 .
C312 H31E 0.9900 .
C312 H31F 0.9900 .
C313 C314 1.54(3) .
C313 H31G 0.9900 .
C313 H31H 0.9900 .
C314 H31I 0.9900 .
C314 H31J 0.9900 .
C315 C316 1.45(3) .
C315 H31Q 0.9900 .
C315 H31R 0.9900 .
C316 H31K 0.9900 .
C316 H31L 0.9900 .
C317 C318 1.45(3) .
C317 H31M 0.9900 .
C317 H31N 0.9900 .
C318 H31O 0.9900 .
C318 H31P 0.9900 .
K4 O42 2.778(12) .
K4 O45 2.787(10) .
K4 O43 2.792(13) .
K4 O44 2.834(12) .
K4 O46 2.888(9) .
K4 O41 2.893(11) .
K4 N42 3.021(13) .
K4 N41 3.044(13) .
N41 C407 1.43(2) .
N41 C413 1.47(2) .
N41 C401 1.49(2) .
N42 C418 1.45(2) .
N42 C412 1.49(2) .
N42 C406 1.49(2) .
O41 C402 1.419(18) .
O41 C403 1.454(18) .
O42 C404 1.428(19) .
O42 C405 1.43(2) .
O43 C409 1.353(19) .
O43 C408 1.51(2) .
O44 C411 1.46(2) .
O44 C410 1.47(2) .
O45 C415 1.427(16) .
O45 C414 1.456(18) .
O46 C416 1.422(16) .
O46 C417 1.435(17) .
C401 C402 1.50(2) .
C401 H40A 0.9900 .
C401 H40B 0.9900 .
C402 H40C 0.9900 .
C402 H40D 0.9900 .
C403 C404 1.45(2) .
C403 H40E 0.9900 .
C403 H40F 0.9900 .
C404 H40G 0.9900 .
C404 H40H 0.9900 .
C405 C406 1.54(3) .
C405 H40I 0.9900 .
C405 H40J 0.9900 .
C406 H40K 0.9900 .
C406 H40L 0.9900 .
C407 C408 1.55(2) .
C407 H40M 0.9900 .
C407 H40N 0.9900 .
C408 H40O 0.9900 .
C408 H40P 0.9900 .
C409 C410 1.53(2) .
C409 H40Q 0.9900 .
C409 H40R 0.9900 .
C410 H41A 0.9900 .
C410 H41B 0.9900 .
C411 C412 1.52(2) .
C411 H41C 0.9900 .
C411 H41D 0.9900 .
C412 H41E 0.9900 .
C412 H41F 0.9900 .
C413 C414 1.54(2) .
C413 H41G 0.9900 .
C413 H41H 0.9900 .
C414 H41I 0.9900 .
C414 H41J 0.9900 .
C415 C416 1.46(2) .
C415 H41K 0.9900 .
C415 H41L 0.9900 .
C416 H41M 0.9900 .
C416 H41N 0.9900 .
C417 C418 1.51(2) .
C417 H41O 0.9900 .
C417 H41P 0.9900 .
C418 H41Q 0.9900 .
C418 H41R 0.9900 .
K5 O53 2.741(11) .
K5 O56 2.829(11) .
K5 O52 2.834(11) .
K5 O55 2.858(13) .
K5 O54 2.877(12) .
K5 O51 2.961(10) .
K5 N51 2.963(13) .
K5 N52 2.974(14) .
N51 C513 1.40(2) .
N51 C501 1.46(2) .
N51 C507 1.46(2) .
N52 C512 1.401(16) .
N52 C506 1.40(2) .
N52 C518 1.43(2) .
O51 C503 1.398(19) .
O51 C502 1.456(19) .
O52 C504 1.409(16) .
O52 C505 1.46(3) .
O53 C508 1.39(2) .
O53 C509 1.47(2) .
O54 C510 1.34(3) .
O54 C511 1.458(15) .
O55 C514 1.42(2) .
O55 C515 1.46(2) .
O56 C517 1.38(2) .
O56 C516 1.45(2) .
C501 C502 1.51(3) .
C501 H50A 0.9900 .
C501 H50B 0.9900 .
C502 H50C 0.9900 .
C502 H50D 0.9900 .
C503 C504 1.46(3) .
C503 H50E 0.9900 .
C503 H50F 0.9900 .
C504 H50G 0.9900 .
C504 H50H 0.9900 .
C505 C506 1.52(3) .
C505 H50I 0.9900 .
C505 H50J 0.9900 .
C506 H50K 0.9900 .
C506 H50L 0.9900 .
C507 C508 1.49(3) .
C507 H50M 0.9900 .
C507 H50N 0.9900 .
C508 H50O 0.9900 .
C508 H50P 0.9900 .
C509 C510 1.53(3) .
C509 H50Q 0.9900 .
C509 H50R 0.9900 .
C510 H51A 0.9900 .
C510 H51B 0.9900 .
C511 C512 1.462(15) .
C511 H51C 0.9900 .
C511 H51D 0.9900 .
C512 H51E 0.9900 .
C512 H51F 0.9900 .
C513 C514 1.53(2) .
C513 H51G 0.9900 .
C513 H51H 0.9900 .
C514 H51I 0.9900 .
C514 H51J 0.9900 .
C515 C516 1.44(3) .
C515 H51K 0.9900 .
C515 H51L 0.9900 .
C516 H51M 0.9900 .
C516 H51N 0.9900 .
C517 C518 1.51(3) .
C517 H51O 0.9900 .
C517 H51P 0.9900 .
C518 H51Q 0.9900 .
C518 H51R 0.9900 .
K6 O65 2.763(12) .
K6 O62 2.771(13) .
K6 O64 2.778(14) .
K6 O63 2.810(13) .
K6 O66 2.914(17) .
K6 N62 2.931(19) .
K6 O61 2.948(12) .
K6 N61 3.000(15) .
N61 C601 1.44(2) .
N61 C607 1.47(2) .
N61 C613 1.49(2) .
N62 C606 1.446(16) .
N62 C612 1.47(3) .
N62 C618 1.51(3) .
O61 C603 1.424(18) .
O61 C602 1.44(2) .
O62 C604 1.35(2) .
O62 C605 1.412(14) .
O63 C609 1.42(3) .
O63 C608 1.43(3) .
O64 C610 1.41(3) .
O64 C611 1.50(3) .
O65 C614 1.39(2) .
O65 C615 1.51(3) .
O66 C616 1.43(3) .
O66 C617 1.45(4) .
C601 C602 1.49(2) .
C601 H60A 0.9900 .
C601 H60B 0.9900 .
C602 H60C 0.9900 .
C602 H60D 0.9900 .
C603 C604 1.47(3) .
C603 H60E 0.9900 .
C603 H60F 0.9900 .
C604 H60G 0.9900 .
C604 H60H 0.9900 .
C605 C606 1.449(15) .
C605 H60I 0.9900 .
C605 H60J 0.9900 .
C606 H60K 0.9900 .
C606 H60L 0.9900 .
C607 C608 1.53(3) .
C607 H60M 0.9900 .
C607 H60N 0.9900 .
C608 H60O 0.9900 .
C608 H60P 0.9900 .
C609 C610 1.48(4) .
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 H61O 0.9900 .
C612 H61P 0.9900 .
C613 C614 1.49(3) .
C613 H61E 0.9900 .
C613 H61F 0.9900 .
C614 H61G 0.9900 .
C614 H61H 0.9900 .
C615 C616 1.37(4) .
C615 H61Q 0.9900 .
C615 H61R 0.9900 .
C616 H61I 0.9900 .
C616 H61J 0.9900 .
C617 C618 1.45(4) .
C617 H61K 0.9900 .
C617 H61L 0.9900 .
C618 H61M 0.9900 .
C618 H61N 0.9900 .
N1E C1E 1.51(3) .
N1E H1E1 0.9100 .
N1E H1E2 0.9100 .
N1E H1E3 0.9100 .
C1E C2E 1.31(3) .
C1E H1E4 0.9900 .
C1E H1E5 0.9900 .
C2E N2E 1.53(3) .
C2E H2E1 0.9900 .
C2E H2E2 0.9900 .
N2E H2E3 0.9100 .
N2E H2E4 0.9100 .
N2E H2E5 0.9100 .
N1S C1S 1.52(3) .
N1S H1S1 0.9100 .
N1S H1S2 0.9100 .
N1S H1S3 0.9100 .
C1S C2S 1.40(3) .
C1S H1S4 0.9900 .
C1S H1S5 0.9900 .
C2S N2S 1.49(3) .
C2S H2S1 0.9900 .
C2S H2S2 0.9900 .
N2S H2S3 0.9100 .
N2S H2S4 0.9100 .
N2S H2S5 0.9100 .
N1R C1R 1.45(2) .
N1R H1R1 0.9100 .
N1R H1R2 0.9100 .
N1R H1R3 0.9100 .
C1R C2R 1.468(19) .
C1R H1R4 0.9900 .
C1R H1R5 0.9900 .
C2R N2R 1.42(2) .
C2R H2R1 0.9900 .
C2R H2R2 0.9900 .
N2R H2R3 0.9100 .
N2R H2R4 0.9100 .
N2R H2R5 0.9100 .
N1T C1T 1.428(19) .
N1T H1T1 0.9100 .
N1T H1T2 0.9100 .
N1T H1T3 0.9100 .
C1T C2T 1.43(2) .
C1T H1T4 0.9900 .
C1T H1T5 0.9900 .
C2T N2T 1.453(19) .
C2T H2T1 0.9900 .
C2T H2T2 0.9900 .
N2T H2T4 0.9100 .
N2T H2T5 0.9100 .
N2T H2T6 0.9100 .
