#------------------------------------------------------------------------------
#$Date: 2021-03-23 11:03:09 +0200 (Tue, 23 Mar 2021) $
#$Revision: 263248 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/12/1561204.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_1561204
loop_
_publ_author_name
'Zhu, Yuanyuan'
'Xia, Tifeng'
'Zhang, Qi'
'Cui, Yuanjing'
'Yang, Yu'
'Qian, Guodong'
_publ_section_title
;
 A Eu/Tb mixed lanthanide coordination polymer with rare 2D thick layers:
 Synthesis, characterization and ratiometric temperature sensing
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              98
_journal_page_last               103
_journal_paper_doi               10.1016/j.jssc.2018.01.009
_journal_volume                  259
_journal_year                    2018
_chemical_formula_sum            'C252 H148 N42 O57 Tb7'
_chemical_formula_weight         5788.56
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_atom_sites_solution_hydrogens   mixed
_cell_angle_alpha                90
_cell_angle_beta                 103.147(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.6264(11)
_cell_length_b                   39.0611(18)
_cell_length_c                   48.407(2)
_cell_measurement_reflns_used    9784
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.6775
_cell_measurement_theta_min      2.503
_cell_volume                     47185(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0789
_diffrn_reflns_av_unetI/netI     0.0693
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       47
_diffrn_reflns_limit_k_min       -45
_diffrn_reflns_limit_l_max       59
_diffrn_reflns_limit_l_min       -59
_diffrn_reflns_number            254608
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.043
_diffrn_reflns_theta_min         0.968
_exptl_absorpt_coefficient_mu    2.161
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.630
_exptl_crystal_description       needle
_exptl_crystal_F_000             22920
_refine_diff_density_max         5.020
_refine_diff_density_min         -3.792
_refine_diff_density_rms         0.191
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3215
_refine_ls_number_reflns         46023
_refine_ls_number_restraints     73
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.1696
_refine_ls_R_factor_gt           0.0823
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
; 
 w=1/[σ²(Fo²)+(0.0974P)²+1384.3171P] 
 where P=(Fo²+2Fc²)/3 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2033
_refine_ls_wR_factor_ref         0.2659
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                22854
_reflns_number_total             46023
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            JSSC-2019-259-98.cif
_cod_data_source_block           q_sq_sq_sq
_cod_original_sg_symbol_H-M      'I 2/a'
_cod_database_code               1561204
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C36E C 0.0971(8) 0.4609(6) -0.0402(3) 0.137(6) Uani 1 1 d DG U . . .
C48 C 0.0761(7) 0.4906(5) -0.0543(4) 0.150(6) Uani 1 1 d G U . . .
H48 H 0.0613 0.5074 -0.0448 0.180 Uiso 1 1 calc R U . . .
C28 C 0.0774(7) 0.4953(4) -0.0826(4) 0.149(7) Uani 1 1 d G U . . .
H28 H 0.0634 0.5152 -0.0920 0.179 Uiso 1 1 calc R U . . .
C26K C 0.0996(8) 0.4703(5) -0.0969(3) 0.140(7) Uani 1 1 d G U . . .
C27H C 0.1205(8) 0.4405(4) -0.0828(5) 0.191(8) Uani 1 1 d G U . . .
H27H H 0.1353 0.4238 -0.0923 0.229 Uiso 1 1 calc R U . . .
C23X C 0.1192(7) 0.4359(4) -0.0545(5) 0.159(7) Uani 1 1 d G U . . .
H23X H 0.1332 0.4160 -0.0451 0.191 Uiso 1 1 calc R U . . .
Tb1 Tb 0.37933(3) 0.81997(2) 0.46383(2) 0.03181(15) Uani 1 1 d . . . . .
Tb2 Tb 0.38179(2) 0.67282(2) 0.46354(2) 0.02959(15) Uani 1 1 d . . . . .
Tb3 Tb 0.42459(2) 0.25713(2) -0.03826(2) 0.03548(15) Uani 1 1 d . . . . .
Tb4 Tb 0.08331(3) 0.38051(2) -0.46144(2) 0.04605(19) Uani 1 1 d . . . . .
Tb5 Tb 0.10812(3) 0.53470(2) 0.03506(2) 0.0502(2) Uani 1 1 d . . . . .
O5K O 0.0855(9) 0.4851(5) 0.0039(4) 0.157(8) Uani 1 1 d D . . . .
Tb6 Tb 0.08575(3) 0.39448(2) 0.03653(2) 0.0559(2) Uani 1 1 d . . . . .
Tb7 Tb 0.39633(4) 0.52597(2) 0.46333(2) 0.0661(3) Uani 1 1 d . . . . .
O1 O 0.4354(4) 0.7758(2) 0.45157(18) 0.043(2) Uani 1 1 d . . . . .
O2 O 0.4805(3) 0.3016(2) -0.04869(16) 0.037(2) Uani 1 1 d . . . . .
O3 O 0.4789(4) 0.1596(2) -0.04935(18) 0.040(2) Uani 1 1 d . . . . .
O4 O 0.3390(4) 0.8210(2) 0.41421(18) 0.040(2) Uani 1 1 d . . . . .
O5 O 0.4191(3) 0.7211(2) 0.44516(16) 0.039(2) Uani 1 1 d . . . . .
O7 O 0.3140(3) 0.7796(2) 0.43829(18) 0.039(2) Uani 1 1 d . . . . .
O8 O 0.3431(3) 0.6710(2) 0.41401(18) 0.036(2) Uani 1 1 d . . . . .
O9 O 0.4407(3) 0.6320(2) 0.45113(16) 0.0345(19) Uani 1 1 d . . . . .
O10 O 0.4442(4) 0.9195(2) 0.45194(17) 0.044(2) Uani 1 1 d . . . . .
O12 O 0.3868(4) 0.7277(2) -0.00181(18) 0.041(2) Uani 1 1 d . . . . .
O13 O 0.5122(3) 0.2540(2) -0.00423(17) 0.0359(19) Uani 1 1 d . . . . .
O14 O 0.4705(4) 0.2155(2) -0.05703(17) 0.041(2) Uani 1 1 d . . . . .
O16 O 0.4741(6) 0.5408(3) 0.4987(2) 0.093(5) Uani 1 1 d . . . . .
O19 O 0.0203(8) 0.5314(3) 0.0029(3) 0.145(8) Uani 1 1 d . . . . .
O20F O 0.1440(7) 0.5233(4) 0.4929(3) 0.113(5) Uani 1 1 d . . . . .
O20O O 0.4225(5) 0.3474(3) -0.0046(2) 0.078(4) Uani 1 1 d . . . . .
O20R O 0.4654(4) 0.3570(2) -0.05714(18) 0.048(2) Uani 1 1 d . . . . .
O21I O 0.0924(9) 0.4174(6) -0.4981(4) 0.188(9) Uani 1 1 d . U . . .
O23 O 0.4237(4) 0.8641(2) 0.44543(18) 0.042(2) Uani 1 1 d . . . . .
O27 O 0.3168(4) 0.6313(2) 0.43906(18) 0.042(2) Uani 1 1 d . . . . .
O30 O 0.3873(4) 0.2597(3) -0.08862(19) 0.053(3) Uani 1 1 d . . . . .
O31 O 0.0351(4) 0.4418(2) 0.04745(18) 0.054(3) Uani 1 1 d . . . . .
O27X O 0.0964(6) 0.4281(3) -0.0014(2) 0.085(4) Uani 1 1 d . . . . .
O33V O 0.1768(4) 0.5731(2) 0.06131(18) 0.053(3) Uani 1 1 d . . . . .
O41 O 0.4576(4) 0.8302(2) 0.4994(2) 0.054(3) Uani 1 1 d . . . . .
O44 O 0.1199(4) 0.3767(2) -0.41139(19) 0.053(3) Uani 1 1 d . . . . .
O54 O 0.3933(4) 0.8732(2) -0.00143(17) 0.048(2) Uani 1 1 d . . . . .
O56 O -0.0052(4) 0.3944(2) 0.00473(18) 0.050(2) Uani 1 1 d . . . . .
O64 O 0.3582(4) 0.2992(2) -0.0639(2) 0.050(2) Uani 1 1 d . . . . .
O65 O -0.0014(4) 0.3904(3) -0.4957(2) 0.058(3) Uani 1 1 d . . . . .
O74 O 0.3151(4) 0.8643(2) 0.4611(2) 0.059(3) Uani 1 1 d . . . . .
O76 O 0.4581(4) 0.6867(2) 0.49887(19) 0.045(2) Uani 1 1 d . . . . .
O80 O 0.1443(4) 0.3360(3) -0.4366(2) 0.064(3) Uani 1 1 d . . . . .
O90 O 0.0570(5) 0.4960(3) 0.05590(19) 0.080(4) Uani 1 1 d . . . . .
O91 O 0.3134(4) 0.7141(2) 0.46057(18) 0.046(2) Uani 1 1 d . . . . .
O101 O 0.0413(5) 0.4854(3) -0.4508(2) 0.073(4) Uani 1 1 d . . . . .
O118 O 0.0933(4) 0.4815(2) 0.50106(19) 0.047(2) Uani 1 1 d D U . . .
O122 O 0.1558(5) 0.4338(2) 0.0627(2) 0.065(3) Uani 1 1 d . . . . .
O126 O 0.3415(4) 0.8325(2) 0.00596(19) 0.049(3) Uani 1 1 d . . . . .
O139 O 0.3367(4) 0.6842(2) 0.0056(2) 0.052(3) Uani 1 1 d . . . . .
O146 O 0.4112(4) 0.1535(3) -0.0011(2) 0.064(3) Uani 1 1 d . . . . .
O151 O 0.4091(4) 0.2891(3) -0.0014(2) 0.054(3) Uani 1 1 d . . . . .
O152 O 0.1467(4) 0.5338(2) 0.08473(18) 0.053(3) Uani 1 1 d . . . . .
O162 O 0.1407(5) 0.5221(3) -0.4138(2) 0.069(3) Uani 1 1 d . . . . .
O166 O 0.3205(6) 0.5664(3) 0.4607(3) 0.087(4) Uani 1 1 d . . . . .
O167 O 0.3403(5) 0.5418(3) 0.0046(2) 0.068(3) Uani 1 1 d . . . . .
O175 O 0.1667(6) 0.3619(4) 0.0446(3) 0.097(4) Uani 1 1 d . . . . .
O182 O 0.4304(4) 0.5750(2) 0.44646(19) 0.049(2) Uani 1 1 d . . . . .
O210 O 0.1228(4) 0.3944(3) 0.0867(2) 0.064(3) Uani 1 1 d . . . . .
O222 O 0.1684(7) 0.4838(3) -0.4398(2) 0.116(6) Uani 1 1 d . . . . .
O224 O 0.1795(5) 0.4938(3) 0.0413(3) 0.090(4) Uani 1 1 d . . . . .
O234 O 0.3968(5) 0.5803(3) -0.0004(2) 0.079(4) Uani 1 1 d . . . . .
O245 O 0.0493(6) 0.4292(3) -0.4451(2) 0.080(4) Uani 1 1 d . . . . .
O261 O 0.3378(5) 0.2297(3) -0.0453(2) 0.075(3) Uani 1 1 d . . . . .
O265 O 0.4253(5) 0.2123(3) -0.0045(2) 0.072(3) Uani 1 1 d . . . . .
O278 O 0.1677(7) 0.4089(6) -0.4557(4) 0.151(8) Uani 1 1 d . . . . .
N15 N 0.4674(4) 0.1627(3) -0.1823(2) 0.036(2) Uani 1 1 d . . . . .
N15A N 0.4309(5) 0.2048(3) 0.1266(2) 0.055(3) Uani 1 1 d . . . . .
N16 N 0.4016(4) 0.7470(2) 0.2988(2) 0.035(2) Uani 1 1 d . . . . .
N16H N 0.4241(6) 0.3416(3) 0.1258(3) 0.058(3) Uani 1 1 d . . . . .
N17 N 0.2635(5) 0.2872(3) -0.3121(3) 0.053(3) Uani 1 1 d . . . . .
C21 C 0.0942(13) 0.4562(7) -0.0094(5) 0.158(7) Uani 1 1 d D U . . .
N18 N 0.2991(5) 0.2624(3) -0.3148(2) 0.052(3) Uani 1 1 d . . . . .
N19 N 0.2924(4) 0.5078(3) 0.1882(2) 0.044(3) Uani 1 1 d . . . . .
N22 N 0.0935(7) 0.4781(4) -0.1262(3) 0.090(6) Uani 1 1 d . . . . .
N24 N 0.4245(4) 0.7703(3) 0.3196(2) 0.035(2) Uani 1 1 d . . . . .
N26 N 0.4060(4) 0.8957(2) 0.2992(2) 0.036(2) Uani 1 1 d . . . . .
N29 N 0.4641(4) 0.3012(3) -0.1817(2) 0.042(3) Uani 1 1 d . . . . .
N32 N 0.2874(4) 0.8082(3) 0.1873(2) 0.036(2) Uani 1 1 d . . . . .
N35 N 0.2440(4) 0.5679(3) 0.3137(2) 0.043(3) Uani 1 1 d . . . . .
N42 N 0.3713(4) 0.7418(3) 0.14547(19) 0.034(2) Uani 1 1 d . . . . .
N46 N 0.3893(4) 0.9125(3) 0.1258(2) 0.037(2) Uani 1 1 d . U . . .
N47 N 0.2626(4) 0.4797(3) 0.1900(2) 0.044(3) Uani 1 1 d . . . . .
N53 N 0.2573(4) 0.7800(3) 0.1883(2) 0.036(2) Uani 1 1 d . . . . .
N57 N 0.3876(4) 0.6175(3) 0.1259(2) 0.039(3) Uani 1 1 d . . . . .
N59 N 0.4320(4) 0.9168(2) 0.32019(19) 0.034(2) Uani 1 1 d . . . . .
N61 N 0.2617(5) 0.4227(3) -0.3150(3) 0.056(3) Uani 1 1 d . . . . .
N63 N 0.4109(4) 0.5979(3) 0.2994(2) 0.040(3) Uani 1 1 d . . . . .
N66 N 0.3769(4) 0.8923(3) 0.1464(2) 0.035(2) Uani 1 1 d . . . . .
N71 N 0.3808(4) 0.7641(3) 0.1252(2) 0.035(2) Uani 1 1 d . . . . .
N72 N 0.2098(4) 0.5413(3) 0.3150(2) 0.041(3) Uani 1 1 d . . . . .
N75 N 0.4394(5) 0.1836(3) -0.2027(2) 0.043(3) Uani 1 1 d . . . . .
N81 N 0.2904(4) 0.6556(3) 0.1879(2) 0.043(3) Uani 1 1 d . . . . .
N87 N 0.0780(5) 0.4623(3) 0.2009(2) 0.053(3) Uani 1 1 d . . . . .
N89 N 0.2604(4) 0.6268(3) 0.1892(2) 0.037(2) Uani 1 1 d . . . . .
N104 N 0.4332(5) 0.6220(3) 0.3195(2) 0.042(3) Uani 1 1 d . . . . .
N108 N 0.4375(5) 0.3221(3) -0.2027(2) 0.042(3) Uani 1 1 d . . . . .
N110 N 0.0510(5) 0.4416(3) 0.1797(2) 0.050(3) Uani 1 1 d . . . . .
N112 N 0.2977(5) 0.3986(3) -0.3167(3) 0.055(3) Uani 1 1 d . . . . .
N113 N 0.0470(5) 0.4773(3) -0.3189(2) 0.050(3) Uani 1 1 d . . . . .
N124 N 0.2025(5) 0.3694(3) -0.1869(2) 0.047(3) Uani 1 1 d . . . . .
N195 N 0.3778(4) 0.5945(3) 0.1457(2) 0.039(3) Uani 1 1 d . . . . .
N202 N 0.0722(5) 0.4549(3) -0.2987(2) 0.051(3) Uani 1 1 d . . . . .
N214 N 0.0887(7) 0.4419(4) 0.3731(3) 0.072(4) Uani 1 1 d . . . . .
N221 N 0.4126(6) 0.1818(3) 0.1439(3) 0.067(4) Uani 1 1 d . . . . .
N223 N 0.4087(6) 0.3185(3) 0.1436(2) 0.060(4) Uani 1 1 d . . . . .
N263 N 0.2359(5) 0.3439(3) -0.1896(3) 0.051(3) Uani 1 1 d . . . . .
N264 N 0.1044(7) 0.4545(3) -0.1445(3) 0.078(5) Uani 1 1 d . . . . .
N271 N 0.1073(7) 0.4624(3) 0.3541(3) 0.080(5) Uani 1 1 d . . . . .
C2F C 0.1390(10) 0.4809(5) 0.4106(4) 0.099(8) Uani 1 1 d . . . . .
H2F H 0.1603 0.4878 0.3984 0.119 Uiso 1 1 calc R U . . .
C6 C 0.2282(6) 0.6066(3) 0.1127(3) 0.040(3) Uani 1 1 d . . . . .
H6 H 0.2335 0.6161 0.0959 0.048 Uiso 1 1 calc R U . . .
C10W C 0.3205(6) 0.2520(4) -0.2888(3) 0.052(4) Uani 1 1 d . . . . .
C11 C 0.4266(4) 0.7498(3) 0.4362(2) 0.027(2) Uani 1 1 d . . . . .
C13X C 0.1787(6) 0.4215(4) 0.1394(3) 0.057(4) Uani 1 1 d . . . . .
H13X H 0.1561 0.4029 0.1396 0.068 Uiso 1 1 calc R U . . .
C16D C 0.2329(5) 0.3041(4) -0.3367(3) 0.043(3) Uani 1 1 d . . . . .
C16R C 0.4191(7) 0.1855(4) 0.0079(4) 0.062(4) Uani 1 1 d . . . . .
C17 C 0.4263(7) 0.1886(4) 0.0409(4) 0.061(4) Uani 1 1 d . . . . .
C17C C 0.3244(5) 0.2996(3) -0.1143(3) 0.043(3) Uani 1 1 d . . . . .
C17F C 0.4425(7) 0.9407(4) 0.2814(3) 0.059(4) Uani 1 1 d . . . . .
H17F H 0.4523 0.9556 0.2685 0.071 Uiso 1 1 calc R U . . .
C17J C 0.1739(7) 0.3462(4) -0.3599(3) 0.060(4) Uani 1 1 d . . . . .
H17J H 0.1526 0.3652 -0.3586 0.072 Uiso 1 1 calc R U . . .
C17L C 0.2996(5) 0.7884(3) 0.3619(2) 0.032(3) Uani 1 1 d . . . . .
H17L H 0.3155 0.8098 0.3618 0.038 Uiso 1 1 calc R U . . .
C17O C 0.4062(4) 0.7289(3) 0.3852(2) 0.029(3) Uani 1 1 d . . . . .
H17O H 0.3932 0.7085 0.3910 0.035 Uiso 1 1 calc R U . . .
C17V C 0.4479(6) 0.2282(4) 0.1680(3) 0.059(4) Uani 1 1 d . . . . .
H17V H 0.4599 0.2431 0.1831 0.071 Uiso 1 1 calc R U . . .
C17X C 0.3608(6) 0.2250(4) -0.2848(3) 0.048(3) Uani 1 1 d . . . . .
C18I C 0.2835(5) 0.7709(3) 0.3367(3) 0.036(3) Uani 1 1 d . . . . .
H18I H 0.2882 0.7803 0.3197 0.043 Uiso 1 1 calc R U . . .
C18O C 0.2484(5) 0.6228(4) 0.1382(3) 0.045(3) Uani 1 1 d . . . . .
H18O H 0.2675 0.6431 0.1385 0.054 Uiso 1 1 calc R U . . .
C18S C 0.2625(6) 0.4726(4) 0.2176(3) 0.057(4) Uani 1 1 d . . . . .
H18S H 0.2438 0.4551 0.2241 0.069 Uiso 1 1 calc R U . . .
C18Z C 0.0465(8) 0.4591(4) -0.4351(3) 0.066(5) Uani 1 1 d . . . . .
C19 C 0.2910(7) 0.4034(4) -0.2718(4) 0.067(5) Uani 1 1 d . . . . .
H19 H 0.2965 0.3996 -0.2524 0.081 Uiso 1 1 calc R U . . .
C19F C 0.2795(6) 0.7991(4) 0.2323(3) 0.048(4) Uani 1 1 d . . . . .
H19F H 0.2829 0.8017 0.2517 0.058 Uiso 1 1 calc R U . . .
C19H C 0.2206(7) 0.4616(4) 0.1140(3) 0.073(5) Uani 1 1 d . . . . .
H19H H 0.2266 0.4703 0.0971 0.088 Uiso 1 1 calc R U . . .
C19M C 0.3725(6) 0.2101(4) -0.3086(3) 0.047(3) Uani 1 1 d . . . . .
H19M H 0.3560 0.2182 -0.3265 0.056 Uiso 1 1 calc R U . . .
C19P C 0.2527(5) 0.7250(3) 0.3622(3) 0.039(3) Uani 1 1 d . . . . .
H19P H 0.2363 0.7038 0.3622 0.047 Uiso 1 1 calc R U . . .
C19T C 0.1853(6) 0.4335(3) 0.1135(3) 0.048(3) Uani 1 1 d . . . . .
C20 C 0.4764(8) 0.2786(5) -0.2208(3) 0.083(7) Uani 1 1 d . . . . .
H20 H 0.4866 0.2643 -0.2340 0.100 Uiso 1 1 calc R U . . .
C20A C 0.4009(7) 0.6237(4) 0.0784(3) 0.055(4) Uani 1 1 d . . . . .
H20A H 0.4212 0.6432 0.0841 0.065 Uiso 1 1 calc R U . . .
C20B C 0.2211(6) 0.5483(4) 0.2706(3) 0.051(4) Uani 1 1 d . . . . .
H20B H 0.2177 0.5449 0.2512 0.062 Uiso 1 1 calc R U . . .
C20C C 0.2926(5) 0.7748(3) 0.3876(3) 0.032(3) Uani 1 1 d . . . . .
C20E C 0.4531(6) 0.9438(4) 0.3093(3) 0.054(4) Uani 1 1 d . . . . .
H20E H 0.4719 0.9617 0.3197 0.065 Uiso 1 1 calc R U . . .
C20F C 0.3698(5) 0.8750(3) 0.0428(2) 0.036(3) Uani 1 1 d . . . . .
C20L C 0.2701(5) 0.7428(4) 0.3870(3) 0.045(3) Uani 1 1 d . . . . .
H20L H 0.2665 0.7330 0.4039 0.055 Uiso 1 1 calc R U . . .
C20M C 0.2550(5) 0.5743(4) 0.3647(3) 0.047(3) Uani 1 1 d . . . . .
H20M H 0.2389 0.5531 0.3653 0.057 Uiso 1 1 calc R U . . .
C20T C 0.2584(6) 0.6203(3) 0.2162(3) 0.045(3) Uani 1 1 d . . . . .
H20T H 0.2412 0.6018 0.2224 0.055 Uiso 1 1 calc R U . . .
C21E C 0.3609(5) 0.7123(3) 0.0139(3) 0.036(3) Uani 1 1 d . . . . .
C21F C 0.0471(7) 0.4668(4) 0.0637(3) 0.058(4) Uani 1 1 d . . . . .
C21S C 0.4423(8) 0.2194(5) 0.0531(4) 0.090(6) Uani 1 1 d . . . . .
H21S H 0.4509 0.2374 0.0424 0.108 Uiso 1 1 calc R U . . .
C21V C 0.4892(7) 0.2755(5) -0.1924(3) 0.079(6) Uani 1 1 d . . . . .
H21V H 0.5112 0.2589 -0.1819 0.095 Uiso 1 1 calc R U . . .
C22D C 0.4516(6) 0.2326(5) 0.1413(3) 0.064(4) Uani 1 1 d . . . . .
H22D H 0.4659 0.2516 0.1341 0.077 Uiso 1 1 calc R U . . .
C22F C 0.2609(7) 0.2920(4) -0.2846(3) 0.068(5) Uani 1 1 d . . . . .
H22F H 0.2384 0.3070 -0.2780 0.082 Uiso 1 1 calc R U . . .
C22K C 0.0405(8) 0.4185(5) 0.2194(3) 0.079(6) Uani 1 1 d . . . . .
H22K H 0.0309 0.4038 0.2326 0.094 Uiso 1 1 calc R U . . .
C22S C 0.4455(5) 0.7849(3) 0.3964(2) 0.032(3) Uani 1 1 d . . . . .
H22S H 0.4592 0.8018 0.4097 0.038 Uiso 1 1 calc R U . . .
C22U C 0.4453(9) 0.2229(7) 0.0810(4) 0.118(9) Uani 1 1 d . . . . .
H22U H 0.4589 0.2434 0.0894 0.141 Uiso 1 1 calc R U . . .
C23 C 0.0655(7) 0.4139(5) 0.3611(3) 0.066(5) Uani 1 1 d . . . . .
H23 H 0.0514 0.3965 0.3703 0.080 Uiso 1 1 calc R U . . .
C23E C 0.2369(7) 0.3375(5) -0.2166(3) 0.067(5) Uani 1 1 d . . . . .
H23E H 0.2568 0.3208 -0.2234 0.080 Uiso 1 1 calc R U . . .
C23F C 0.3015(7) 0.3022(5) -0.1654(4) 0.078(6) Uani 1 1 d . . . . .
H23F H 0.3066 0.2942 -0.1827 0.094 Uiso 1 1 calc R U . . .
C23Q C 0.4301(8) 0.1992(5) 0.0977(4) 0.069(5) Uani 1 1 d . . . . .
C24H C 0.4366(10) 0.3551(5) 0.0522(4) 0.098(7) Uani 1 1 d . . . . .
H24H H 0.4455 0.3723 0.0407 0.118 Uiso 1 1 calc R U . . .
C24M C 0.3979(6) 0.9039(3) 0.0508(3) 0.054(4) Uani 1 1 d . . . . .
H24M H 0.4120 0.9159 0.0376 0.065 Uiso 1 1 calc R U . . .
C24P C 0.0949(9) 0.4537(5) 0.4015(3) 0.079(6) Uani 1 1 d . . . . .
C24R C 0.0233(7) 0.5023(4) -0.3068(3) 0.071(5) Uani 1 1 d . . . . .
H24R H 0.0037 0.5205 -0.3163 0.085 Uiso 1 1 calc R U . . .
C24X C 0.2559(7) 0.4261(4) -0.2880(4) 0.071(5) Uani 1 1 d . . . . .
H24X H 0.2326 0.4409 -0.2816 0.086 Uiso 1 1 calc R U . . .
C25E C 0.0783(7) 0.4541(6) 0.4487(4) 0.087(6) Uani 1 1 d . . . . .
H25E H 0.0618 0.4450 0.4623 0.105 Uiso 1 1 calc DR U . . .
C25G C 0.3843(5) 0.7603(3) 0.1697(2) 0.032(3) Uani 1 1 d . . . . .
C25P C 0.4402(9) 0.3612(5) 0.0809(4) 0.092(6) Uani 1 1 d . . . . .
H25P H 0.4546 0.3815 0.0894 0.110 Uiso 1 1 calc R U . . .
C25R C 0.2440(9) 0.4303(5) -0.3657(4) 0.095(7) Uani 1 1 d . . . . .
H25R H 0.2645 0.4109 -0.3667 0.114 Uiso 1 1 calc R U . . .
C25S C 0.0455(7) 0.4630(3) -0.4047(3) 0.056(4) Uani 1 1 d . . . . .
C26 C 0.0293(7) 0.4988(4) -0.3671(3) 0.063(5) Uani 1 1 d . . . . .
H26 H 0.0170 0.5193 -0.3610 0.076 Uiso 1 1 calc R U . . .
C26D C 0.0265(7) 0.4155(4) 0.1903(3) 0.068(5) Uani 1 1 d . . . . .
H26D H 0.0046 0.3988 0.1799 0.082 Uiso 1 1 calc R U . . .
C26H C 0.4205(8) 0.3347(4) 0.0973(3) 0.063(5) Uani 1 1 d . . . . .
C26U C 0.3430(7) 0.5643(4) 0.0618(3) 0.065(5) Uani 1 1 d . . . . .
H26U H 0.3237 0.5443 0.0563 0.077 Uiso 1 1 calc R U . . .
C27 C 0.4119(8) 0.1700(5) 0.0874(4) 0.083(6) Uani 1 1 d . . . . .
H27 H 0.3998 0.1536 0.0983 0.099 Uiso 1 1 calc R U . . .
C27E C 0.0701(9) 0.4375(9) 0.4188(4) 0.139(12) Uani 1 1 d . . . . .
H27E H 0.0496 0.4179 0.4136 0.166 Uiso 1 1 calc R U . . .
C27M C 0.4455(7) 0.3645(4) 0.1671(3) 0.061(4) Uani 1 1 d . . . . .
H27M H 0.4603 0.3788 0.1822 0.073 Uiso 1 1 calc R U . . .
C27Y C 0.2519(6) 0.7743(4) 0.2152(3) 0.050(4) Uani 1 1 d . . . . .
H27Y H 0.2328 0.7565 0.2209 0.059 Uiso 1 1 calc R U . . .
C28F C 0.4163(8) 0.3192(5) 0.0088(4) 0.078(6) Uani 1 1 d . . . . .
C28X C 0.3155(5) 0.7927(3) 0.4147(3) 0.034(3) Uani 1 1 d . . . . .
C29 C 0.1170(10) 0.4948(5) 0.4852(4) 0.087(6) Uani 1 1 d . . . . .
C29D C 0.3305(7) 0.2878(5) -0.1399(3) 0.075(6) Uani 1 1 d . . . . .
H29D H 0.3542 0.2700 -0.1405 0.090 Uiso 1 1 calc R U . . .
C29K C 0.2211(9) 0.4474(5) -0.3903(4) 0.107(8) Uani 1 1 d . . . . .
H29K H 0.2262 0.4395 -0.4076 0.128 Uiso 1 1 calc R U . . .
C29U C 0.2662(6) 0.3278(4) -0.1646(3) 0.049(4) Uani 1 1 d . . . . .
C30 C 0.4038(10) 0.3066(6) 0.0847(5) 0.113(8) Uani 1 1 d . U . . .
H30 H 0.3927 0.2894 0.0953 0.135 Uiso 1 1 calc R U . . .
C30F C 0.4009(12) 0.2999(5) 0.0532(5) 0.126(11) Uani 1 1 d . . . . .
H30F H 0.3865 0.2800 0.0438 0.151 Uiso 1 1 calc R U . . .
C30M C 0.1462(11) 0.4950(5) 0.4381(4) 0.108(8) Uani 1 1 d . . . . .
H30M H 0.1721 0.5114 0.4451 0.130 Uiso 1 1 calc R U . . .
C30S C 0.0202(7) 0.4274(4) 0.1300(3) 0.062(5) Uani 1 1 d . . . . .
H30S H 0.0011 0.4089 0.1347 0.075 Uiso 1 1 calc R U . . .
C30Y C 0.2029(7) 0.3312(4) -0.3353(3) 0.065(5) Uani 1 1 d . . . . .
H30Y H 0.2013 0.3401 -0.3177 0.078 Uiso 1 1 calc R U . . .
C32T C 0.0750(9) 0.5073(5) -0.1397(4) 0.086(6) Uani 1 1 d . . . . .
H32T H 0.0654 0.5270 -0.1313 0.103 Uiso 1 1 calc R U . . .
C34D C 0.2374(11) 0.2920(6) -0.3628(4) 0.143(13) Uani 1 1 d . . . . .
H34D H 0.2604 0.2739 -0.3639 0.171 Uiso 1 1 calc R U . . .
C35 C 0.2076(11) 0.3069(7) -0.3875(4) 0.141(12) Uani 1 1 d . . . . .
H35 H 0.2098 0.2983 -0.4051 0.169 Uiso 1 1 calc R U . . .
C36P C 0.4742(5) 0.1799(3) -0.0959(3) 0.034(3) Uani 1 1 d . . . . .
C37 C 0.4257(4) 0.7541(3) 0.4054(2) 0.028(2) Uani 1 1 d . . . . .
C37O C 0.0728(7) 0.5032(4) -0.1678(3) 0.067(5) Uani 1 1 d . . . . .
H37O H 0.0606 0.5187 -0.1824 0.080 Uiso 1 1 calc R U . . .
C37R C 0.2040(6) 0.4358(4) 0.1645(3) 0.052(4) Uani 1 1 d . . . . .
H37R H 0.1987 0.4272 0.1816 0.063 Uiso 1 1 calc R U . . .
C38F C 0.3117(5) 0.5174(3) 0.2147(3) 0.037(3) Uani 1 1 d . . . . .
C39 C 0.4516(5) 0.2040(3) -0.1164(2) 0.034(3) Uani 1 1 d . . . . .
H39 H 0.4381 0.2244 -0.1109 0.041 Uiso 1 1 calc R U . . .
C40 C 0.4967(5) 0.2919(3) -0.1038(2) 0.035(3) Uani 1 1 d . . . . .
H40 H 0.5144 0.2767 -0.0900 0.042 Uiso 1 1 calc R U . . .
H40I H 0.082(5) 0.4583(13) 0.5029(6) 0.07(5) Uiso 1 1 d D . . . .
C40W C 0.4062(7) 0.9163(3) 0.0787(3) 0.057(4) Uani 1 1 d . . . . .
H40W H 0.4284 0.9351 0.0843 0.069 Uiso 1 1 calc R U . . .
C42G C 0.4112(8) 0.1636(4) 0.0548(4) 0.078(6) Uani 1 1 d . . . . .
H42G H 0.4003 0.1428 0.0461 0.093 Uiso 1 1 calc R U . . .
C43 C 0.4087(5) 0.8811(3) 0.3566(3) 0.032(3) Uani 1 1 d . . . . .
H43 H 0.3923 0.8656 0.3428 0.038 Uiso 1 1 calc R U . . .
C44T C 0.2874(8) 0.3248(5) -0.1146(4) 0.076(5) Uani 1 1 d . . . . .
H44T H 0.2823 0.3328 -0.0973 0.091 Uiso 1 1 calc R U . . .
C48X C 0.3973(5) 0.7591(3) 0.2228(2) 0.036(3) Uani 1 1 d . . . . .
H48X H 0.4170 0.7792 0.2243 0.043 Uiso 1 1 calc R U . . .
C49 C 0.3192(5) 0.6433(3) 0.4153(3) 0.032(3) Uani 1 1 d . . . . .
C50K C 0.4444(5) 0.7900(3) 0.3685(3) 0.038(3) Uani 1 1 d . . . . .
H50K H 0.4573 0.8104 0.3627 0.046 Uiso 1 1 calc R U . . .
C51 C 0.3905(5) 0.8937(3) 0.2474(3) 0.033(3) Uani 1 1 d . . . . .
C52 C 0.4685(5) 0.3082(3) -0.1527(3) 0.038(3) Uani 1 1 d . . . . .
C55 C 0.4088(5) 0.8745(3) 0.3845(3) 0.032(3) Uani 1 1 d . . . . .
H55 H 0.3926 0.8548 0.3895 0.039 Uiso 1 1 calc R U . . .
C55D C 0.4204(7) 0.3246(4) 0.0412(4) 0.064(5) Uani 1 1 d . . . . .
C58 C 0.4319(5) 0.9097(3) 0.3488(2) 0.027(2) Uani 1 1 d . . . . .
C59T C 0.0656(7) 0.4146(4) 0.3325(3) 0.060(4) Uani 1 1 d . . . . .
H59T H 0.0516 0.3986 0.3186 0.072 Uiso 1 1 calc R U . . .
C60 C 0.4174(5) 0.5821(3) 0.3860(3) 0.037(3) Uani 1 1 d . . . . .
H60 H 0.4057 0.5615 0.3921 0.044 Uiso 1 1 calc R U . . .
C61D C 0.2977(7) 0.2706(5) -0.2689(3) 0.069(5) Uani 1 1 d . . . . .
H61D H 0.3063 0.2684 -0.2493 0.083 Uiso 1 1 calc R U . . .
C62 C 0.0484(6) 0.4487(3) 0.1511(3) 0.043(3) Uani 1 1 d . . . . .
C67 C 0.3468(5) 0.5483(3) 0.2190(3) 0.035(3) Uani 1 1 d . . . . .
C68 C 0.2971(5) 0.6242(3) 0.3886(2) 0.034(3) Uani 1 1 d . . . . .
C69 C 0.4241(5) 0.7647(3) 0.3484(2) 0.032(3) Uani 1 1 d . . . . .
C73 C 0.3894(5) 0.9100(3) 0.1702(2) 0.032(3) Uani 1 1 d . . . . .
C73F C 0.0294(7) 0.4943(4) -0.3953(3) 0.065(5) Uani 1 1 d . . . . .
H73F H 0.0186 0.5120 -0.4082 0.078 Uiso 1 1 calc R U . . .
C75E C 0.1099(9) 0.4819(4) 0.4545(4) 0.082(6) Uani 1 1 d . . . . .
C77 C 0.3915(5) 0.6117(3) 0.1702(3) 0.039(3) Uani 1 1 d . . . . .
C78 C 0.2629(5) 0.5878(3) 0.3388(2) 0.032(3) Uani 1 1 d . . . . .
C78D C 0.2020(7) 0.3611(5) -0.2324(4) 0.075(5) Uani 1 1 d . . . . .
H78D H 0.1938 0.3634 -0.2521 0.090 Uiso 1 1 calc R U . . .
C79 C 0.4010(5) 0.9088(3) 0.2229(2) 0.031(3) Uani 1 1 d . . . . .
H79 H 0.4225 0.9283 0.2245 0.037 Uiso 1 1 calc R U . . .
C82 C 0.3713(4) 0.7516(3) 0.0968(2) 0.030(3) Uani 1 1 d . . . . .
C83 C 0.4092(5) 0.7606(3) 0.2750(2) 0.036(3) Uani 1 1 d . . . . .
C84 C 0.4726(5) 0.3268(3) -0.0652(3) 0.035(3) Uani 1 1 d . . . . .
C85 C 0.4124(5) 0.9093(3) 0.2752(2) 0.034(3) Uani 1 1 d . . . . .
C86 C 0.3364(5) 0.8506(3) 0.2183(2) 0.033(3) Uani 1 1 d . . . . .
C91A C 0.4456(7) 0.3701(5) 0.1401(4) 0.070(5) Uani 1 1 d . . . . .
H91A H 0.4579 0.3895 0.1324 0.084 Uiso 1 1 calc R U . . .
C92 C 0.3869(5) 0.7579(3) 0.0504(3) 0.039(3) Uani 1 1 d . . . . .
H92 H 0.4002 0.7701 0.0370 0.046 Uiso 1 1 calc R U . . .
C93 C 0.4340(5) 0.8982(3) 0.4056(2) 0.031(3) Uani 1 1 d . . . . .
C94 C 0.4442(5) 0.3081(3) -0.2263(3) 0.040(3) Uani 1 1 d . . . . .
C95 C 0.0718(6) 0.4478(4) 0.2250(3) 0.050(4) Uani 1 1 d . . . . .
C96 C 0.4719(5) 0.3209(3) -0.0958(2) 0.036(3) Uani 1 1 d . . . . .
C97 C 0.0934(6) 0.4700(4) -0.1697(3) 0.057(4) Uani 1 1 d . . . . .
C97E C 0.2574(8) 0.3389(5) -0.1388(4) 0.081(6) Uani 1 1 d . . . . .
H97E H 0.2318 0.3556 -0.1381 0.097 Uiso 1 1 calc R U . . .
C98 C 0.3687(5) 0.8596(3) 0.0148(3) 0.037(3) Uani 1 1 d . . . . .
C99 C 0.1962(6) 0.5292(3) 0.2884(3) 0.047(3) Uani 1 1 d . . . . .
C99L C 0.2862(6) 0.6457(4) 0.2331(3) 0.049(4) Uani 1 1 d . . . . .
H99L H 0.2910 0.6483 0.2526 0.059 Uiso 1 1 calc R U . . .
C102 C 0.1545(7) 0.4199(4) 0.0859(3) 0.058(4) Uani 1 1 d . . . . .
C103 C 0.3999(5) 0.7943(3) 0.1369(3) 0.041(3) Uani 1 1 d . . . . .
H103 H 0.4099 0.8128 0.1272 0.050 Uiso 1 1 calc R U . . .
C106 C 0.1905(7) 0.4764(4) -0.3894(3) 0.064(5) Uani 1 1 d . . . . .
C107 C 0.3811(5) 0.3483(3) -0.2579(3) 0.041(3) Uani 1 1 d . . . . .
H107 H 0.3716 0.3577 -0.2421 0.050 Uiso 1 1 calc R U . . .
C109 C 0.3939(5) 0.7710(3) 0.0775(3) 0.038(3) Uani 1 1 d . . . . .
H109 H 0.4124 0.7913 0.0828 0.045 Uiso 1 1 calc R U . . .
C111 C 0.4489(5) 0.1980(3) -0.1448(3) 0.039(3) Uani 1 1 d . . . . .
H111 H 0.4335 0.2143 -0.1582 0.047 Uiso 1 1 calc R U . . .
C114 C 0.3398(5) 0.7096(3) 0.0619(3) 0.045(3) Uani 1 1 d . . . . .
H114 H 0.3218 0.6891 0.0566 0.054 Uiso 1 1 calc R U . . .
C115 C 0.3038(5) 0.6369(3) 0.3629(3) 0.041(3) Uani 1 1 d . . . . .
H115 H 0.3200 0.6582 0.3625 0.049 Uiso 1 1 calc R U . . .
C116 C 0.3603(5) 0.7125(3) 0.2456(3) 0.038(3) Uani 1 1 d . . . . .
H116 H 0.3566 0.7015 0.2620 0.045 Uiso 1 1 calc R U . . .
C117 C 0.2719(5) 0.5936(3) 0.3891(3) 0.039(3) Uani 1 1 d . . . . .
H117 H 0.2659 0.5854 0.4062 0.047 Uiso 1 1 calc R U . . .
C119 C 0.4057(4) 0.7337(3) 0.3574(2) 0.027(2) Uani 1 1 d . . . . .
H119 H 0.3933 0.7165 0.3443 0.033 Uiso 1 1 calc R U . . .
C120 C 0.4687(5) 0.1686(3) -0.1532(3) 0.033(3) Uani 1 1 d . . . . .
C123 C 0.3550(5) 0.5651(3) 0.1949(3) 0.042(3) Uani 1 1 d . . . . .
H123 H 0.3401 0.5559 0.1772 0.050 Uiso 1 1 calc R U . . .
C125 C 0.3687(5) 0.5630(3) 0.2455(3) 0.039(3) Uani 1 1 d . . . . .
H125 H 0.3643 0.5521 0.2619 0.046 Uiso 1 1 calc R U . . .
C127 C 0.0822(6) 0.4474(3) 0.2771(3) 0.049(4) Uani 1 1 d . . . . .
H127 H 0.0571 0.4298 0.2752 0.059 Uiso 1 1 calc R U . . .
C128 C 0.4520(5) 0.6390(3) 0.3961(3) 0.038(3) Uani 1 1 d . . . . .
H128 H 0.4636 0.6566 0.4090 0.046 Uiso 1 1 calc R U . . .
C130 C 0.2375(6) 0.4409(4) -0.3396(3) 0.052(4) Uani 1 1 d . . . . .
C131 C 0.0861(5) 0.4502(3) -0.2463(3) 0.041(3) Uani 1 1 d . . . . .
C132 C 0.3783(5) 0.6065(3) 0.0976(2) 0.040(3) Uani 1 1 d . . . . .
C133 C 0.3055(5) 0.6666(3) 0.2144(3) 0.036(3) Uani 1 1 d . . . . .
C134 C 0.4745(5) 0.1857(3) -0.0653(3) 0.034(3) Uani 1 1 d . . . . .
C135 C 0.4224(6) 0.1967(4) 0.1690(3) 0.046(3) Uani 1 1 d . . . . .
C136 C 0.4340(5) 0.8930(3) 0.4366(3) 0.035(3) Uani 1 1 d . . . . .
C137 C 0.4949(5) 0.2857(3) -0.1322(2) 0.036(3) Uani 1 1 d . . . . .
H137 H 0.5115 0.2664 -0.1375 0.043 Uiso 1 1 calc R U . . .
C138 C 0.4358(5) 0.6038(3) 0.4363(2) 0.033(3) Uani 1 1 d . . . . .
C140 C 0.4353(6) 0.7923(4) 0.2798(3) 0.061(5) Uani 1 1 d . . . . .
H140 H 0.4444 0.8066 0.2664 0.074 Uiso 1 1 calc R U . . .
C141 C 0.3612(5) 0.7275(3) 0.0427(3) 0.036(3) Uani 1 1 d . . . . .
C142 C 0.3016(5) 0.8201(3) 0.2140(3) 0.031(3) Uani 1 1 d . . . . .
C143 C 0.4215(5) 0.1863(4) -0.2547(3) 0.046(3) Uani 1 1 d . . . . .
C144 C 0.1464(5) 0.3496(4) -0.4122(3) 0.047(3) Uani 1 1 d . . . . .
C145 C 0.4329(6) 0.3089(3) -0.2785(3) 0.044(3) Uani 1 1 d . . . . .
H145 H 0.4588 0.2918 -0.2760 0.052 Uiso 1 1 calc R U . . .
C147 C 0.2404(5) 0.6092(3) 0.1635(3) 0.038(3) Uani 1 1 d . . . . .
C148 C 0.1815(5) 0.3806(3) -0.2133(3) 0.044(3) Uani 1 1 d . . . . .
C149 C 0.4572(5) 0.9272(3) 0.3978(3) 0.038(3) Uani 1 1 d . . . . .
H149 H 0.4730 0.9430 0.4115 0.046 Uiso 1 1 calc R U . . .
C150 C 0.3564(5) 0.3598(3) -0.2854(3) 0.043(3) Uani 1 1 d . . . . .
C154 C 0.4930(6) 0.1503(3) -0.1050(3) 0.044(3) Uani 1 1 d . . . . .
H154 H 0.5068 0.1335 -0.0918 0.052 Uiso 1 1 calc R U . . .
C156 C 0.3576(5) 0.8650(3) 0.2444(2) 0.031(3) Uani 1 1 d . . . . .
H156 H 0.3498 0.8552 0.2605 0.037 Uiso 1 1 calc R U . . .
C157 C 0.4427(6) 0.3373(3) -0.1449(3) 0.045(3) Uani 1 1 d . . . . .
H157 H 0.4242 0.3522 -0.1587 0.054 Uiso 1 1 calc R U . . .
C158 C 0.3380(5) 0.6980(3) 0.2189(3) 0.038(3) Uani 1 1 d . . . . .
C160 C 0.3478(5) 0.7142(3) 0.1943(2) 0.037(3) Uani 1 1 d . . . . .
H160 H 0.3344 0.7045 0.1766 0.045 Uiso 1 1 calc R U . . .
C163 C 0.4332(5) 0.6175(3) 0.3483(2) 0.032(3) Uani 1 1 d . . . . .
C164 C 0.4467(6) 0.1714(4) -0.2274(3) 0.044(3) Uani 1 1 d . . . . .
C165 C 0.3969(5) 0.5935(3) 0.2475(2) 0.037(3) Uani 1 1 d . . . . .
C169 C 0.4021(5) 0.7932(4) 0.1652(3) 0.044(3) Uani 1 1 d . . . . .
H169 H 0.4130 0.8104 0.1786 0.053 Uiso 1 1 calc R U . . .
C170 C 0.0966(6) 0.4621(4) 0.2532(3) 0.050(4) Uani 1 1 d . . . . .
C171 C 0.3878(5) 0.7431(4) 0.2473(3) 0.040(3) Uani 1 1 d . . . . .
C173 C 0.3812(6) 0.9005(3) 0.0978(2) 0.038(3) Uani 1 1 d . . . . .
C176 C 0.0917(7) 0.4450(4) 0.3298(3) 0.053(4) Uani 1 1 d . . . . .
C177 C 0.1743(6) 0.5598(3) 0.0847(3) 0.040(3) Uani 1 1 d . . . . .
C179 C 0.3467(5) 0.8665(3) 0.1940(3) 0.034(3) Uani 1 1 d . . . . .
H179 H 0.3312 0.8577 0.1762 0.040 Uiso 1 1 calc R U . . .
C180 C 0.2872(5) 0.6188(3) 0.3378(3) 0.043(3) Uani 1 1 d . . . . .
H180 H 0.2924 0.6275 0.3208 0.051 Uiso 1 1 calc R U . . .
C181 C 0.4066(6) 0.6474(4) 0.1377(3) 0.050(4) Uani 1 1 d . . . . .
H181 H 0.4163 0.6664 0.1283 0.060 Uiso 1 1 calc R U . . .
C183 C 0.2948(6) 0.4959(3) 0.2337(3) 0.051(4) Uani 1 1 d . . . . .
H183 H 0.3037 0.4973 0.2534 0.061 Uiso 1 1 calc R U . . .
C184 C 0.0204(7) 0.4335(3) 0.1024(3) 0.057(4) Uani 1 1 d . . . . .
H184 H 0.0021 0.4185 0.0886 0.068 Uiso 1 1 calc R U . . .
C185 C 0.0480(6) 0.4722(3) -0.3475(3) 0.047(4) Uani 1 1 d . . . . .
C186 C 0.1189(5) 0.4214(4) -0.2441(3) 0.046(3) Uani 1 1 d . . . . .
H186 H 0.1243 0.4108 -0.2604 0.055 Uiso 1 1 calc R U . . .
C187 C 0.1437(6) 0.4864(3) 0.3068(3) 0.053(4) Uani 1 1 d . . . . .
H187 H 0.1595 0.4946 0.3248 0.064 Uiso 1 1 calc R U . . .
C188 C 0.4199(5) 0.3228(3) -0.2547(3) 0.040(3) Uani 1 1 d . . . . .
C189 C 0.3687(6) 0.5672(4) 0.0143(3) 0.051(4) Uani 1 1 d . . . . .
C190 C 0.3798(5) 0.8951(3) 0.1962(2) 0.033(3) Uani 1 1 d . . . . .
C191 C 0.4331(5) 0.1713(4) -0.2789(3) 0.044(3) Uani 1 1 d . . . . .
H191 H 0.4573 0.1533 -0.2769 0.053 Uiso 1 1 calc R U . . .
C192 C 0.4453(6) 0.3434(3) -0.1167(3) 0.049(4) Uani 1 1 d . . . . .
H192 H 0.4291 0.3628 -0.1114 0.059 Uiso 1 1 calc R U . . .
C194 C 0.3161(6) 0.3876(4) -0.2902(3) 0.049(4) Uani 1 1 d . . . . .
C196 C 0.3856(5) 0.2132(4) -0.2578(3) 0.043(3) Uani 1 1 d . . . . .
H196 H 0.3779 0.2235 -0.2418 0.051 Uiso 1 1 calc R U . . .
C197 C 0.3943(6) 0.6125(3) 0.0508(3) 0.048(4) Uani 1 1 d . . . . .
H197 H 0.4081 0.6252 0.0378 0.057 Uiso 1 1 calc R U . . .
C198 C 0.1850(6) 0.4884(4) -0.3632(3) 0.056(4) Uani 1 1 d . . . . .
H198 H 0.1659 0.5084 -0.3622 0.067 Uiso 1 1 calc R U . . .
C199 C 0.3705(6) 0.3454(3) -0.3094(3) 0.047(3) Uani 1 1 d . . . . .
H199 H 0.3544 0.3533 -0.3275 0.057 Uiso 1 1 calc R U . . .
C203 C 0.4105(7) 0.9425(3) 0.1368(3) 0.062(5) Uani 1 1 d . . . . .
H203 H 0.4219 0.9603 0.1269 0.075 Uiso 1 1 calc R U . . .
C204 C 0.1575(6) 0.5008(3) 0.2831(3) 0.043(3) Uani 1 1 d . . . . .
C205 C 0.1005(6) 0.4530(4) -0.1955(3) 0.049(3) Uani 1 1 d . . . . .
C206 C 0.4446(6) 0.7976(4) 0.3084(3) 0.058(4) Uani 1 1 d . . . . .
H206 H 0.4616 0.8164 0.3183 0.069 Uiso 1 1 calc R U . . .
C207 C 0.4572(5) 0.9329(3) 0.3694(3) 0.041(3) Uani 1 1 d . . . . .
H207 H 0.4740 0.9522 0.3642 0.049 Uiso 1 1 calc R U . . .
C208 C 0.3577(5) 0.2857(4) -0.0874(3) 0.042(3) Uani 1 1 d . . . . .
C209 C 0.1940(6) 0.5619(3) 0.1374(3) 0.045(3) Uani 1 1 d . . . . .
H209 H 0.1764 0.5411 0.1373 0.054 Uiso 1 1 calc R U . . .
C212 C 0.2457(7) 0.4758(4) 0.1390(3) 0.064(5) Uani 1 1 d . . . . .
H212 H 0.2686 0.4943 0.1391 0.077 Uiso 1 1 calc R U . . .
C213 C 0.4064(5) 0.6087(3) 0.2230(3) 0.041(3) Uani 1 1 d . . . . .
H213 H 0.4274 0.6283 0.2244 0.050 Uiso 1 1 calc R U . . .
C215 C 0.4930(7) 0.1377(4) -0.1928(3) 0.071(5) Uani 1 1 d . . . . .
H215 H 0.5143 0.1205 -0.1828 0.085 Uiso 1 1 calc R U . . .
C216 C 0.4198(6) 0.3340(3) 0.1690(3) 0.041(3) Uani 1 1 d . . . . .
C219 C 0.3442(6) 0.8587(4) 0.0624(3) 0.049(4) Uani 1 1 d . . . . .
H219 H 0.3236 0.8392 0.0570 0.059 Uiso 1 1 calc R U . . .
C220 C 0.1760(6) 0.3337(4) -0.3859(3) 0.052(4) Uani 1 1 d . . . . .
C225 C 0.3770(5) 0.7443(3) 0.1963(3) 0.038(3) Uani 1 1 d . . . . .
C226 C 0.1667(8) 0.4954(4) -0.4159(3) 0.079(6) Uani 1 1 d . . . . .
C227 C 0.3453(6) 0.7223(4) 0.0896(3) 0.049(4) Uani 1 1 d . . . . .
H227 H 0.3310 0.7103 0.1027 0.059 Uiso 1 1 calc R U . . .
C228 C 0.1335(6) 0.4247(4) -0.1933(3) 0.049(4) Uani 1 1 d . . . . .
H228 H 0.1492 0.4162 -0.1754 0.059 Uiso 1 1 calc R U . . .
C229 C 0.0640(6) 0.4664(4) -0.2743(3) 0.052(4) Uani 1 1 d . . . . .
C230 C 0.4122(7) 0.9419(3) 0.1657(3) 0.056(4) Uani 1 1 d . . . . .
H230 H 0.4253 0.9587 0.1791 0.067 Uiso 1 1 calc R U . . .
C231 C 0.1331(6) 0.4889(3) 0.2561(3) 0.048(3) Uani 1 1 d . . . . .
H231 H 0.1411 0.4989 0.2401 0.058 Uiso 1 1 calc R U . . .
C232 C 0.3669(5) 0.5822(3) 0.0424(3) 0.040(3) Uani 1 1 d . . . . .
C236 C 0.1999(5) 0.5761(3) 0.1120(3) 0.037(3) Uani 1 1 d . . . . .
C237 C 0.2601(5) 0.7389(3) 0.3371(3) 0.036(3) Uani 1 1 d . . . . .
C238 C 0.4089(6) 0.1807(3) 0.1942(3) 0.046(3) Uani 1 1 d . . . . .
C239 C 0.4462(8) 0.6420(4) 0.2800(3) 0.073(6) Uani 1 1 d . . . . .
H239 H 0.4567 0.6558 0.2666 0.088 Uiso 1 1 calc R U . . .
C240 C 0.4186(6) 0.6103(3) 0.2747(3) 0.041(3) Uani 1 1 d . . . . .
C241 C 0.2084(6) 0.4701(4) -0.3379(3) 0.054(4) Uani 1 1 d . . . . .
H241 H 0.2040 0.4779 -0.3205 0.065 Uiso 1 1 calc R U . . .
C242 C 0.1073(6) 0.4604(3) 0.3040(3) 0.051(4) Uani 1 1 d . . . . .
C243 C 0.2377(5) 0.4633(4) 0.1640(3) 0.043(3) Uani 1 1 d . . . . .
C244 C 0.3497(5) 0.8716(4) 0.0892(3) 0.045(3) Uani 1 1 d . . . . .
H244 H 0.3324 0.8609 0.1018 0.053 Uiso 1 1 calc R U . . .
C246 C 0.2140(5) 0.5785(3) 0.1628(3) 0.043(3) Uani 1 1 d . . . . .
H246 H 0.2094 0.5688 0.1796 0.052 Uiso 1 1 calc R U . . .
C247 C 0.0760(6) 0.4769(3) 0.1435(3) 0.046(3) Uani 1 1 d . U . . .
H247 H 0.0956 0.4911 0.1575 0.055 Uiso 1 1 calc R U . . .
C249 C 0.0639(6) 0.4417(3) -0.3562(3) 0.050(4) Uani 1 1 d . . . . .
H249 H 0.0748 0.4242 -0.3432 0.060 Uiso 1 1 calc R U . . .
C250 C 0.4090(6) 0.6447(4) 0.1661(3) 0.051(4) Uani 1 1 d . . . . .
H250 H 0.4200 0.6614 0.1798 0.062 Uiso 1 1 calc R U . . .
C251 C 0.1440(6) 0.4083(4) -0.2172(3) 0.051(4) Uani 1 1 d . . . . .
C254 C 0.4515(5) 0.6438(3) 0.3675(2) 0.037(3) Uani 1 1 d . . . . .
H254 H 0.4633 0.6644 0.3614 0.044 Uiso 1 1 calc R U . . .
C255 C 0.0782(6) 0.4653(4) -0.2216(3) 0.049(3) Uani 1 1 d . . . . .
H255 H 0.0567 0.4847 -0.2231 0.058 Uiso 1 1 calc R U . . .
C257 C 0.4924(6) 0.1442(3) -0.1332(3) 0.049(4) Uani 1 1 d . . . . .
H257 H 0.5073 0.1244 -0.1387 0.059 Uiso 1 1 calc R U . . .
C258 C 0.4543(7) 0.6484(4) 0.3074(3) 0.067(5) Uani 1 1 d . . . . .
H258 H 0.4714 0.6675 0.3167 0.080 Uiso 1 1 calc R U . . .
C259 C 0.3844(5) 0.5947(3) 0.1964(2) 0.037(3) Uani 1 1 d . . . . .
C260 C 0.4356(5) 0.6083(3) 0.4055(3) 0.038(3) Uani 1 1 d . . . . .
C262 C 0.0739(7) 0.4833(3) 0.1151(3) 0.058(4) Uani 1 1 d . . . . .
H262 H 0.0908 0.5026 0.1100 0.069 Uiso 1 1 calc R U . . .
C266 C 0.0328(8) 0.4965(4) -0.2788(3) 0.080(6) Uani 1 1 d . . . . .
H266 H 0.0213 0.5095 -0.2653 0.096 Uiso 1 1 calc R U . . .
C267 C 0.4809(8) 0.1430(5) -0.2220(3) 0.081(6) Uani 1 1 d . . . . .
H267 H 0.4932 0.1301 -0.2354 0.097 Uiso 1 1 calc R U . . .
C272 C 0.3490(7) 0.5770(4) 0.0893(3) 0.061(4) Uani 1 1 d . . . . .
H272 H 0.3331 0.5656 0.1021 0.074 Uiso 1 1 calc R U . . .
C274 C 0.4166(6) 0.5866(3) 0.3579(3) 0.043(3) Uani 1 1 d . . . . .
H274 H 0.4050 0.5689 0.3451 0.052 Uiso 1 1 calc R U . . .
C275 C 0.2512(6) 0.5726(4) 0.2869(3) 0.052(4) Uani 1 1 d . . . . .
H275 H 0.2724 0.5891 0.2810 0.063 Uiso 1 1 calc R U . . .
C276 C 0.0469(7) 0.4612(3) 0.0941(3) 0.060(4) Uani 1 1 d . . . . .
C279 C 0.4085(6) 0.1833(3) -0.3061(3) 0.046(3) Uani 1 1 d . . . . .
C280 C 0.0641(7) 0.4367(3) -0.3850(3) 0.054(4) Uani 1 1 d . . . . .
H280 H 0.0763 0.4162 -0.3910 0.064 Uiso 1 1 calc R U . . .
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'
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'
Tb Tb -0.1723 4.1537 '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
C48 C36E C23X 120.0 . .
C48 C36E C21 119(2) . .
C23X C36E C21 121(2) . .
C28 C48 C36E 120.0 . .
C28 C48 H48 120.0 . .
C36E C48 H48 120.0 . .
C26K C28 C48 120.0 . .
C26K C28 H28 120.0 . .
C48 C28 H28 120.0 . .
C28 C26K C27H 120.0 . .
C28 C26K N22 112.2(18) . .
C27H C26K N22 127.6(18) . .
C23X C27H C26K 120.0 . .
C23X C27H H27H 120.0 . .
C26K C27H H27H 120.0 . .
C27H C23X C36E 120.0 . .
C27H C23X H23X 120.0 . .
C36E C23X H23X 120.0 . .
O23 Tb1 O41 75.4(3) . .
O23 Tb1 O74 80.3(3) . .
O41 Tb1 O74 112.4(4) . .
O23 Tb1 O4 75.1(3) . .
O41 Tb1 O4 146.2(3) . .
O74 Tb1 O4 78.1(3) . .
O23 Tb1 O1 93.7(3) . .
O41 Tb1 O1 81.1(3) . .
O74 Tb1 O1 162.9(3) . .
O4 Tb1 O1 84.9(3) . .
O23 Tb1 O7 128.5(3) . .
O41 Tb1 O7 148.8(3) . .
O74 Tb1 O7 93.3(3) . .
O4 Tb1 O7 53.7(3) . .
O1 Tb1 O7 77.8(3) . .
O23 Tb1 O12 146.8(3) . 8_565
O41 Tb1 O12 73.4(3) . 8_565
O74 Tb1 O12 122.3(3) . 8_565
O4 Tb1 O12 129.7(3) . 8_565
O1 Tb1 O12 70.5(3) . 8_565
O7 Tb1 O12 78.0(3) . 8_565
O23 Tb1 O139 133.6(3) . 8_565
O41 Tb1 O139 82.9(4) . 8_565
O74 Tb1 O139 70.7(3) . 8_565
O4 Tb1 O139 129.9(3) . 8_565
O1 Tb1 O139 123.1(3) . 8_565
O7 Tb1 O139 89.6(3) . 8_565
O12 Tb1 O139 52.6(3) 8_565 8_565
O23 Tb1 C28X 101.4(3) . .
O41 Tb1 C28X 158.1(4) . .
O74 Tb1 C28X 88.0(4) . .
O4 Tb1 C28X 27.0(3) . .
O1 Tb1 C28X 77.4(3) . .
O7 Tb1 C28X 27.0(3) . .
O12 Tb1 C28X 103.2(3) 8_565 .
O139 Tb1 C28X 112.7(4) 8_565 .
O23 Tb1 C21E 146.2(3) . 8_565
O41 Tb1 C21E 74.6(3) . 8_565
O74 Tb1 C21E 97.1(3) . 8_565
O4 Tb1 C21E 137.8(3) . 8_565
O1 Tb1 C21E 96.7(3) . 8_565
O7 Tb1 C21E 85.3(3) . 8_565
O12 Tb1 C21E 26.2(3) 8_565 8_565
O139 Tb1 C21E 26.5(3) 8_565 8_565
C28X Tb1 C21E 112.2(4) . 8_565
O76 Tb2 O91 111.7(3) . .
O76 Tb2 O9 82.4(3) . .
O91 Tb2 O9 162.3(3) . .
O76 Tb2 O5 75.5(3) . .
O91 Tb2 O5 78.0(3) . .
O9 Tb2 O5 96.1(3) . .
O76 Tb2 O8 145.9(3) . .
O91 Tb2 O8 80.0(3) . .
O9 Tb2 O8 82.4(3) . .
O5 Tb2 O8 76.0(3) . .
O76 Tb2 O27 150.8(3) . .
O91 Tb2 O27 90.5(3) . .
O9 Tb2 O27 80.4(3) . .
O5 Tb2 O27 129.5(3) . .
O8 Tb2 O27 53.6(3) . .
O76 Tb2 O54 73.5(3) . 8_565
O91 Tb2 O54 121.0(3) . 8_565
O9 Tb2 O54 72.4(3) . 8_565
O5 Tb2 O54 148.1(3) . 8_565
O8 Tb2 O54 129.4(3) . 8_565
O27 Tb2 O54 79.0(3) . 8_565
O76 Tb2 O126 81.5(3) . 8_565
O91 Tb2 O126 70.6(3) . 8_565
O9 Tb2 O126 123.9(3) . 8_565
O5 Tb2 O126 130.4(3) . 8_565
O8 Tb2 O126 131.9(3) . 8_565
O27 Tb2 O126 88.8(3) . 8_565
O54 Tb2 O126 51.5(3) 8_565 8_565
O76 Tb2 C49 159.6(3) . .
O91 Tb2 C49 87.3(3) . .
O9 Tb2 C49 77.6(3) . .
O5 Tb2 C49 102.8(3) . .
O8 Tb2 C49 26.9(3) . .
O27 Tb2 C49 27.0(3) . .
O54 Tb2 C49 103.5(3) 8_565 .
O126 Tb2 C49 112.8(3) 8_565 .
O76 Tb2 C98 73.4(3) . 8_565
O91 Tb2 C98 97.1(3) . 8_565
O9 Tb2 C98 97.4(3) . 8_565
O5 Tb2 C98 144.0(3) . 8_565
O8 Tb2 C98 138.9(3) . 8_565
O27 Tb2 C98 85.7(3) . 8_565
O54 Tb2 C98 25.2(3) 8_565 8_565
O126 Tb2 C98 26.6(3) 8_565 8_565
C49 Tb2 C98 112.7(3) . 8_565
O151 Tb3 O14 152.4(3) . .
O151 Tb3 O2 89.2(3) . .
O14 Tb3 O2 92.6(3) . .
O151 Tb3 O265 81.0(4) . .
O14 Tb3 O265 80.1(4) . .
O2 Tb3 O265 140.2(3) . .
O151 Tb3 O30 131.8(3) . .
O14 Tb3 O30 75.7(3) . .
O2 Tb3 O30 82.8(3) . .
O265 Tb3 O30 131.4(4) . .
O151 Tb3 O261 92.0(4) . .
O14 Tb3 O261 99.6(4) . .
O2 Tb3 O261 150.7(3) . .
O265 Tb3 O261 68.6(4) . .
O30 Tb3 O261 74.7(4) . .
O151 Tb3 O13 78.4(3) . .
O14 Tb3 O13 76.2(3) . .
O2 Tb3 O13 71.2(3) . .
O265 Tb3 O13 69.1(3) . .
O30 Tb3 O13 140.3(3) . .
O261 Tb3 O13 137.6(3) . .
O151 Tb3 O64 78.9(3) . .
O14 Tb3 O64 128.4(3) . .
O2 Tb3 O64 77.7(3) . .
O265 Tb3 O64 136.4(4) . .
O30 Tb3 O64 53.0(3) . .
O261 Tb3 O64 73.8(4) . .
O13 Tb3 O64 141.4(3) . .
O151 Tb3 C208 105.1(4) . .
O14 Tb3 C208 102.3(3) . .
O2 Tb3 C208 79.2(3) . .
O265 Tb3 C208 140.6(4) . .
O30 Tb3 C208 26.8(3) . .
O261 Tb3 C208 72.2(4) . .
O13 Tb3 C208 150.1(3) . .
O64 Tb3 C208 26.2(3) . .
O146 Tb4 O245 148.3(4) 7_554 .
O146 Tb4 O21I 73.7(7) 7_554 .
O245 Tb4 O21I 82.2(7) . .
O146 Tb4 O3 87.5(4) 7_554 7_554
O245 Tb4 O3 98.3(4) . 7_554
O21I Tb4 O3 139.5(6) . 7_554
O146 Tb4 O278 98.4(5) 7_554 .
O245 Tb4 O278 88.8(6) . .
O21I Tb4 O278 63.9(7) . .
O3 Tb4 O278 156.2(5) 7_554 .
O146 Tb4 O44 133.5(3) 7_554 .
O245 Tb4 O44 78.2(3) . .
O21I Tb4 O44 136.2(6) . .
O3 Tb4 O44 82.2(3) 7_554 .
O278 Tb4 O44 77.0(5) . .
O146 Tb4 O65 76.0(3) 7_554 .
O245 Tb4 O65 75.8(4) . .
O21I Tb4 O65 67.3(6) . .
O3 Tb4 O65 73.5(3) 7_554 .
O278 Tb4 O65 130.3(6) . .
O44 Tb4 O65 141.1(3) . .
O146 Tb4 O80 80.3(3) 7_554 .
O245 Tb4 O80 131.4(3) . .
O21I Tb4 O80 130.2(7) . .
O3 Tb4 O80 79.0(3) 7_554 .
O278 Tb4 O80 79.3(6) . .
O44 Tb4 O80 53.3(3) . .
O65 Tb4 O80 144.2(4) . .
O146 Tb4 C144 107.2(4) 7_554 .
O245 Tb4 C144 104.5(4) . .
O21I Tb4 C144 140.0(6) . .
O3 Tb4 C144 79.5(4) 7_554 .
O278 Tb4 C144 76.7(6) . .
O44 Tb4 C144 26.4(3) . .
O65 Tb4 C144 152.7(4) . .
O80 Tb4 C144 26.9(3) . .
O90 Tb5 O152 72.7(3) . .
O90 Tb5 O224 90.1(4) . .
O152 Tb5 O224 74.5(4) . .
O90 Tb5 O10 88.2(4) . 7_565
O152 Tb5 O10 82.8(3) . 7_565
O224 Tb5 O10 156.8(4) . 7_565
O90 Tb5 O234 144.5(4) . 2
O152 Tb5 O234 130.7(4) . 2
O224 Tb5 O234 119.5(4) . 2
O10 Tb5 O234 72.0(3) 7_565 2
O90 Tb5 O19 73.6(4) . .
O152 Tb5 O19 139.2(5) . .
O224 Tb5 O19 127.9(5) . .
O10 Tb5 O19 73.6(5) 7_565 .
O234 Tb5 O19 72.7(4) 2 .
O90 Tb5 O33V 125.0(3) . .
O152 Tb5 O33V 53.1(3) . .
O224 Tb5 O33V 84.6(4) . .
O10 Tb5 O33V 77.6(3) 7_565 .
O234 Tb5 O33V 80.0(4) 2 .
O19 Tb5 O33V 145.0(4) . .
O90 Tb5 O5K 71.4(5) . .
O152 Tb5 O5K 126.6(5) . .
O224 Tb5 O5K 67.4(7) . .
O10 Tb5 O5K 133.1(6) 7_565 .
O234 Tb5 O5K 100.8(5) 2 .
O19 Tb5 O5K 60.5(7) . .
O33V Tb5 O5K 148.4(6) . .
O90 Tb5 O167 144.2(4) . 2
O152 Tb5 O167 125.9(4) . 2
O224 Tb5 O167 70.1(4) . 2
O10 Tb5 O167 121.7(3) 7_565 2
O234 Tb5 O167 50.4(4) 2 2
O19 Tb5 O167 94.9(5) . 2
O33V Tb5 O167 83.7(3) . 2
O5K Tb5 O167 73.5(5) . 2
O90 Tb5 C177 98.2(3) . .
O152 Tb5 C177 26.2(3) . .
O224 Tb5 C177 80.1(4) . .
O10 Tb5 C177 77.2(3) 7_565 .
O234 Tb5 C177 105.3(4) 2 .
O19 Tb5 C177 149.8(5) . .
O33V Tb5 C177 27.0(3) . .
O5K Tb5 C177 145.5(6) . .
O167 Tb5 C177 106.9(4) 2 .
O90 Tb5 C189 150.6(4) . 2
O152 Tb5 C189 136.5(4) . 2
O224 Tb5 C189 95.9(4) . 2
O10 Tb5 C189 97.0(4) 7_565 2
O234 Tb5 C189 24.9(4) 2 2
O19 Tb5 C189 80.1(5) . 2
O33V Tb5 C189 84.3(4) . 2
O5K Tb5 C189 84.5(5) . 2
O167 Tb5 C189 25.9(4) 2 2
C177 Tb5 C189 111.1(4) . 2
C21 O5K Tb5 157(2) . .
O27X Tb6 O20R 150.5(4) . 2
O27X Tb6 O20O 86.1(4) . 2
O20R Tb6 O20O 79.5(4) 2 2
O27X Tb6 O31 84.5(4) . .
O20R Tb6 O31 90.3(3) 2 .
O20O Tb6 O31 140.3(4) 2 .
O27X Tb6 O175 100.2(5) . .
O20R Tb6 O175 98.4(4) 2 .
O20O Tb6 O175 68.9(4) 2 .
O31 Tb6 O175 150.8(4) . .
O27X Tb6 O210 135.2(4) . .
O20R Tb6 O210 72.5(3) 2 .
O20O Tb6 O210 127.8(4) 2 .
O31 Tb6 O210 83.5(4) . .
O175 Tb6 O210 72.8(4) . .
O27X Tb6 O122 81.5(4) . .
O20R Tb6 O122 125.5(3) 2 .
O20O Tb6 O122 139.2(4) 2 .
O31 Tb6 O122 77.0(4) . .
O175 Tb6 O122 75.3(4) . .
O210 Tb6 O122 53.7(3) . .
O27X Tb6 O56 76.9(4) . .
O20R Tb6 O56 74.1(3) 2 .
O20O Tb6 O56 70.4(4) 2 .
O31 Tb6 O56 69.9(3) . .
O175 Tb6 O56 139.3(4) . .
O210 Tb6 O56 136.7(3) . .
O122 Tb6 O56 141.8(3) . .
O27X Tb6 C102 108.0(4) . .
O20R Tb6 C102 99.3(4) 2 .
O20O Tb6 C102 140.5(5) 2 .
O31 Tb6 C102 78.7(4) . .
O175 Tb6 C102 72.3(5) . .
O210 Tb6 C102 27.2(3) . .
O122 Tb6 C102 26.5(3) . .
O56 Tb6 C102 147.8(4) . .
O182 Tb7 O162 78.1(3) . 2
O182 Tb7 O16 74.5(3) . .
O162 Tb7 O16 144.8(4) 2 .
O182 Tb7 O118 148.4(3) . 2_556
O162 Tb7 O118 128.9(3) 2 2_556
O16 Tb7 O118 74.0(3) . 2_556
O182 Tb7 O101 97.4(3) . 2
O162 Tb7 O101 80.8(4) 2 2
O16 Tb7 O101 81.2(4) . 2
O118 Tb7 O101 74.8(3) 2_556 2
O182 Tb7 O222 131.6(3) . 2
O162 Tb7 O222 53.9(3) 2 2
O16 Tb7 O222 150.6(4) . 2
O118 Tb7 O222 78.4(4) 2_556 2
O101 Tb7 O222 81.9(5) 2 2
O182 Tb7 O166 79.1(4) . .
O162 Tb7 O166 82.0(4) 2 .
O16 Tb7 O166 113.5(5) . .
O118 Tb7 O166 116.8(3) 2_556 .
O101 Tb7 O166 162.8(4) 2 .
O222 Tb7 O166 88.0(5) 2 .
O182 Tb7 O20F 125.3(4) . 2_556
O162 Tb7 O20F 133.5(5) 2 2_556
O16 Tb7 O20F 81.1(5) . 2_556
O118 Tb7 O20F 51.8(4) 2_556 2_556
O101 Tb7 O20F 126.5(4) 2 2_556
O222 Tb7 O20F 89.9(5) 2 2_556
O166 Tb7 O20F 67.0(4) . 2_556
O182 Tb7 C226 105.0(4) . 2
O162 Tb7 C226 26.9(4) 2 2
O16 Tb7 C226 159.6(6) . 2
O118 Tb7 C226 103.4(4) 2_556 2
O101 Tb7 C226 78.7(5) 2 2
O222 Tb7 C226 27.0(4) 2 2
O166 Tb7 C226 86.0(6) . 2
O20F Tb7 C226 113.6(6) 2_556 2
O182 Tb7 C29 141.6(4) . 2_556
O162 Tb7 C29 138.8(5) 2 2_556
O16 Tb7 C29 74.0(5) . 2_556
O118 Tb7 C29 24.5(5) 2_556 2_556
O101 Tb7 C29 99.0(5) 2 2_556
O222 Tb7 C29 85.1(5) 2 2_556
O166 Tb7 C29 93.9(5) . 2_556
O20F Tb7 C29 27.4(5) 2_556 2_556
C226 Tb7 C29 112.2(5) 2 2_556
C11 O1 Tb1 133.9(8) . .
C84 O2 Tb3 133.7(8) . .
C134 O3 Tb4 133.9(8) . 7_554
C28X O4 Tb1 93.7(7) . .
C11 O5 Tb2 164.0(8) . .
C28X O7 Tb1 92.0(7) . .
C49 O8 Tb2 94.1(7) . .
C138 O9 Tb2 136.2(8) . .
C136 O10 Tb5 135.2(9) . 7_565
C21E O12 Tb1 94.2(7) . 8_564
C134 O14 Tb3 150.8(9) . .
C29 O20F Tb7 89.0(12) . 2_556
C28F O20O Tb6 166.1(14) . 2
C84 O20R Tb6 148.3(9) . 2
C136 O23 Tb1 161.0(9) . .
C49 O27 Tb2 91.5(7) . .
C208 O30 Tb3 95.1(8) . .
C21F O31 Tb6 132.7(11) . .
C21 O27X Tb6 142.5(14) . .
C177 O33V Tb5 92.0(8) . .
C144 O44 Tb4 96.2(8) . .
C98 O54 Tb2 97.4(8) . 8_564
C208 O64 Tb3 92.2(7) . .
C144 O80 Tb4 92.6(8) . .
C21F O90 Tb5 152.1(13) . .
C18Z O101 Tb7 134.0(12) . 2
C29 O118 Tb7 98.9(10) . 2_556
C29 O118 H40I 132(6) . .
Tb7 O118 H40I 127(3) 2_556 .
C102 O122 Tb6 91.6(8) . .
C98 O126 Tb2 92.8(7) . 8_564
C21E O139 Tb1 92.3(7) . 8_564
C16R O146 Tb4 141.2(10) . 7_554
C28F O151 Tb3 140.6(10) . .
C177 O152 Tb5 95.4(8) . .
C226 O162 Tb7 94.0(9) . 2
C189 O167 Tb5 90.7(8) . 2
C138 O182 Tb7 164.5(9) . .
C102 O210 Tb6 94.5(9) . .
C226 O222 Tb7 91.3(9) . 2
C189 O234 Tb5 98.6(10) . 2
C18Z O245 Tb4 161.1(14) . .
C16R O265 Tb3 166.2(12) . .
C215 N15 N75 112.8(11) . .
C215 N15 C120 126.4(11) . .
N75 N15 C120 120.8(10) . .
C22D N15A N221 110.8(12) . .
C22D N15A C23Q 124.5(14) . .
N221 N15A C23Q 124.6(14) . .
C83 N16 N24 104.3(9) . .
C91A N16H N223 111.3(12) . .
C91A N16H C26H 126.4(14) . .
N223 N16H C26H 122.2(14) . .
N18 N17 C22F 112.1(12) . .
N18 N17 C16D 120.3(12) . .
C22F N17 C16D 127.6(12) . .
O27X C21 O5K 129(2) . .
O27X C21 C36E 116(2) . .
O5K C21 C36E 115(2) . .
C10W N18 N17 105.6(12) . .
C38F N19 N47 105.0(11) . .
C32T N22 N264 111.3(13) . .
C32T N22 C26K 127.7(18) . .
N264 N22 C26K 121.0(17) . .
C206 N24 N16 111.3(10) . .
C206 N24 C69 127.5(11) . .
N16 N24 C69 121.2(9) . .
C85 N26 N59 106.0(9) . .
C21V N29 N108 111.1(11) . .
C21V N29 C52 125.9(11) . .
N108 N29 C52 122.8(10) . .
C142 N32 N53 106.2(9) . .
C275 N35 N72 111.7(11) . .
C275 N35 C78 129.9(11) . .
N72 N35 C78 118.2(10) . .
C25G N42 N71 103.4(9) . .
C203 N46 N66 110.7(9) . .
C203 N46 C173 129.1(10) . .
N66 N46 C173 120.2(10) . .
N19 N47 C18S 110.8(11) . .
N19 N47 C243 117.0(10) . .
C18S N47 C243 132.2(12) . .
N32 N53 C27Y 110.6(10) . .
N32 N53 C237 117.6(10) . 7_565
C27Y N53 C237 131.8(11) . 7_565
C181 N57 N195 112.2(10) . .
C181 N57 C132 130.3(11) . .
N195 N57 C132 117.5(11) . .
C20E N59 N26 110.9(9) . .
C20E N59 C58 128.9(10) . .
N26 N59 C58 120.2(9) . .
N112 N61 C24X 111.0(13) . .
N112 N61 C130 119.0(13) . .
C24X N61 C130 130.0(14) . .
C240 N63 N104 105.1(10) . .
C73 N66 N46 106.3(10) . .
C103 N71 N42 111.1(10) . .
C103 N71 C82 132.1(11) . .
N42 N71 C82 116.8(9) . .
C99 N72 N35 104.9(11) . .
C164 N75 N15 106.0(11) . .
C133 N81 N89 105.3(10) . .
C95 N87 N110 105.3(11) . .
C20T N89 N81 110.3(10) . .
C20T N89 C147 132.6(11) . .
N81 N89 C147 117.0(10) . .
C258 N104 N63 110.7(10) . .
C258 N104 C163 127.9(11) . .
N63 N104 C163 121.4(10) . .
C94 N108 N29 105.0(10) . .
C26D N110 N87 111.1(10) . .
C26D N110 C62 127.0(11) . .
N87 N110 C62 121.8(10) . .
N61 N112 C194 105.5(12) . .
C24R N113 N202 109.8(11) . .
C24R N113 C185 129.8(12) . .
N202 N113 C185 120.4(12) . .
C148 N124 N263 106.0(12) . .
C77 N195 N57 103.6(10) . .
C229 N202 N113 106.1(11) . .
C23 N214 N271 112.3(12) . .
C23 N214 C24P 129.4(16) . .
N271 N214 C24P 118.2(15) . .
C135 N221 N15A 104.4(12) . .
C216 N223 N16H 104.3(12) . .
C23E N263 N124 112.8(12) . .
C23E N263 C29U 128.3(14) . .
N124 N263 C29U 118.8(12) . .
C97 N264 N22 104.9(14) . .
C176 N271 N214 102.0(13) . .
C30M C2F C24P 118.0(18) . .
C30M C2F H2F 121.0 . .
C24P C2F H2F 121.0 . .
C18O C6 C236 120.2(12) . .
C18O C6 H6 119.9 . .
C236 C6 H6 119.9 . .
N18 C10W C61D 110.1(13) . .
N18 C10W C17X 118.4(13) . .
C61D C10W C17X 131.6(14) . .
O5 C11 O1 123.6(10) . .
O5 C11 C37 118.8(10) . .
O1 C11 C37 117.6(10) . .
C37R C13X C19T 122.6(13) . .
C37R C13X H13X 118.7 . .
C19T C13X H13X 118.7 . .
C30Y C16D C34D 119.5(15) . .
C30Y C16D N17 123.0(13) . .
C34D C16D N17 117.4(13) . .
O265 C16R O146 131.8(16) . .
O265 C16R C17 115.6(15) . .
O146 C16R C17 112.5(12) . .
C42G C17 C21S 122.7(18) . .
C42G C17 C16R 119.3(15) . .
C21S C17 C16R 117.5(15) . .
C29D C17C C44T 117.3(14) . .
C29D C17C C208 120.8(12) . .
C44T C17C C208 121.9(13) . .
C20E C17F C85 105.5(11) . .
C20E C17F H17F 127.3 . .
C85 C17F H17F 127.3 . .
C220 C17J C30Y 120.9(14) . .
C220 C17J H17J 119.5 . .
C30Y C17J H17J 119.5 . .
C18I C17L C20C 121.7(11) . .
C18I C17L H17L 119.2 . .
C20C C17L H17L 119.2 . .
C119 C17O C37 121.2(10) . .
C119 C17O H17O 119.4 . .
C37 C17O H17O 119.4 . .
C22D C17V C135 106.4(14) . .
C22D C17V H17V 126.8 . .
C135 C17V H17V 126.8 . .
C19M C17X C196 120.3(13) . .
C19M C17X C10W 118.4(13) . .
C196 C17X C10W 121.2(13) . .
C17L C18I C237 118.4(11) . .
C17L C18I H18I 120.8 . .
C237 C18I H18I 120.8 . .
C6 C18O C147 120.8(13) . .
C6 C18O H18O 119.6 . .
C147 C18O H18O 119.6 . .
C183 C18S N47 106.8(12) . .
C183 C18S H18S 126.6 . .
N47 C18S H18S 126.6 . .
O101 C18Z O245 121.6(13) . .
O101 C18Z C25S 119.2(12) . .
O245 C18Z C25S 119.0(13) . .
C194 C19 C24X 105.5(15) . .
C194 C19 H19 127.2 . .
C24X C19 H19 127.3 . .
C27Y C19F C142 104.9(11) . .
C27Y C19F H19F 127.5 . .
C142 C19F H19F 127.5 . .
C212 C19H C19T 120.1(15) . .
C212 C19H H19H 120.0 . .
C19T C19H H19H 120.0 . .
C279 C19M C17X 120.8(13) . .
C279 C19M H19M 119.6 . .
C17X C19M H19M 119.6 . .
C20L C19P C237 119.1(11) . .
C20L C19P H19P 120.4 . .
C237 C19P H19P 120.4 . .
C13X C19T C19H 117.2(13) . .
C13X C19T C102 122.9(12) . .
C19H C19T C102 119.8(13) . .
C21V C20 C94 105.1(13) . .
C21V C20 H20 127.5 . .
C94 C20 H20 127.5 . .
C197 C20A C132 121.6(14) . .
C197 C20A H20A 119.2 . .
C132 C20A H20A 119.2 . .
C275 C20B C99 107.0(12) . .
C275 C20B H20B 126.5 . .
C99 C20B H20B 126.5 . .
C20L C20C C17L 117.7(12) . .
C20L C20C C28X 121.7(12) . .
C17L C20C C28X 120.1(11) . .
C17F C20E N59 108.6(12) . .
C17F C20E H20E 125.7 . .
N59 C20E H20E 125.7 . .
C24M C20F C219 118.7(12) . .
C24M C20F C98 120.2(11) . .
C219 C20F C98 121.0(12) . .
C19P C20L C20C 122.0(12) . .
C19P C20L H20L 119.0 . .
C20C C20L H20L 119.0 . .
C117 C20M C78 118.3(12) . .
C117 C20M H20M 120.9 . .
C78 C20M H20M 120.9 . .
N89 C20T C99L 108.2(11) . .
N89 C20T H20T 125.9 . .
C99L C20T H20T 125.9 . .
O12 C21E O139 120.1(11) . .
O12 C21E C141 118.1(11) . .
O139 C21E C141 121.7(11) . .
O12 C21E Tb1 59.5(6) . 8_564
O139 C21E Tb1 61.2(6) . 8_564
C141 C21E Tb1 170.0(9) . 8_564
O90 C21F O31 124.3(13) . .
O90 C21F C276 118.7(12) . .
O31 C21F C276 117.0(11) . .
C22U C21S C17 117.9(19) . .
C22U C21S H21S 121.1 . .
C17 C21S H21S 121.1 . .
C20 C21V N29 107.4(13) . .
C20 C21V H21V 126.3 . .
N29 C21V H21V 126.3 . .
C17V C22D N15A 107.7(15) . .
C17V C22D H22D 126.1 . .
N15A C22D H22D 126.1 . .
C61D C22F N17 106.3(14) . .
C61D C22F H22F 126.8 . .
N17 C22F H22F 126.8 . .
C26D C22K C95 106.0(13) . .
C26D C22K H22K 127.0 . .
C95 C22K H22K 127.0 . .
C50K C22S C37 120.1(11) . .
C50K C22S H22S 119.9 . .
C37 C22S H22S 119.9 . .
C21S C22U C23Q 125(2) . .
C21S C22U H22U 117.4 . .
C23Q C22U H22U 117.4 . .
N214 C23 C59T 108.7(15) . .
N214 C23 H23 125.7 . .
C59T C23 H23 125.7 . .
N263 C23E C78D 105.2(15) . .
N263 C23E H23E 127.4 . .
C78D C23E H23E 127.4 . .
C29U C23F C29D 119.6(16) . .
C29U C23F H23F 120.2 . .
C29D C23F H23F 120.2 . .
C27 C23Q C22U 120.3(19) . .
C27 C23Q N15A 116.4(17) . .
C22U C23Q N15A 123.3(19) . .
C55D C24H C25P 119.8(19) . .
C55D C24H H24H 120.1 . .
C25P C24H H24H 120.1 . .
C20F C24M C40W 121.4(12) . .
C20F C24M H24M 119.3 . .
C40W C24M H24M 119.3 . .
C27E C24P N214 119(2) . .
C27E C24P C2F 125.1(17) . .
N214 C24P C2F 114.5(17) . .
C266 C24R N113 108.7(13) . .
C266 C24R H24R 125.6 . .
N113 C24R H24R 125.6 . .
N61 C24X C19 106.4(15) . .
N61 C24X H24X 126.8 . .
C19 C24X H24X 126.8 . .
C75E C25E C27E 119(2) . .
C75E C25E H25E 120.7 . .
C27E C25E H25E 120.7 . .
N42 C25G C169 112.5(10) . .
N42 C25G C225 118.3(11) . .
C169 C25G C225 129.2(11) . .
C24H C25P C26H 117.7(18) . .
C24H C25P H25P 121.1 . .
C26H C25P H25P 121.1 . .
C29K C25R C130 122.2(16) . .
C29K C25R H25R 118.9 . .
C130 C25R H25R 118.9 . .
C73F C25S C280 119.8(12) . .
C73F C25S C18Z 118.8(12) . .
C280 C25S C18Z 121.2(12) . .
C73F C26 C185 119.5(14) . .
C73F C26 H26 120.3 . .
C185 C26 H26 120.3 . .
N110 C26D C22K 106.7(12) . .
N110 C26D H26D 126.6 . .
C22K C26D H26D 126.6 . .
C30 C26H N16H 125.5(19) . .
C30 C26H C25P 118.0(17) . .
N16H C26H C25P 116.4(15) . .
C272 C26U C232 119.0(14) . .
C272 C26U H26U 120.5 . .
C232 C26U H26U 120.5 . .
C23Q C27 C42G 116.4(15) . .
C23Q C27 H27 121.8 . .
C42G C27 H27 121.8 . .
C24P C27E C25E 114(3) . .
C24P C27E H27E 123.0 . .
C25E C27E H27E 123.0 . .
C91A C27M C216 108.4(15) . .
C91A C27M H27M 125.8 . .
C216 C27M H27M 125.8 . .
N53 C27Y C19F 108.3(11) . .
N53 C27Y H27Y 125.8 . .
C19F C27Y H27Y 125.8 . .
O151 C28F O20O 127.6(16) . .
O151 C28F C55D 119.1(14) . .
O20O C28F C55D 113.2(17) . .
O7 C28X O4 119.3(11) . .
O7 C28X C20C 121.4(10) . .
O4 C28X C20C 119.3(11) . .
O7 C28X Tb1 61.0(6) . .
O4 C28X Tb1 59.3(6) . .
C20C C28X Tb1 167.3(8) . .
O118 C29 O20F 119.7(15) . .
O118 C29 C75E 120.6(18) . .
O20F C29 C75E 119.2(18) . .
O118 C29 Tb7 56.6(8) . 2_556
O20F C29 Tb7 63.5(10) . 2_556
C75E C29 Tb7 165.4(15) . 2_556
C17C C29D C23F 121.0(14) . .
C17C C29D H29D 119.5 . .
C23F C29D H29D 119.5 . .
C25R C29K C106 120.4(17) . .
C25R C29K H29K 119.8 . .
C106 C29K H29K 119.8 . .
C23F C29U C97E 120.1(14) . .
C23F C29U N263 122.7(15) . .
C97E C29U N263 117.2(14) . .
C26H C30 C30F 124(2) . .
C26H C30 H30 118.1 . .
C30F C30 H30 118.1 . .
C55D C30F C30 113(2) . .
C55D C30F H30F 123.7 . .
C30 C30F H30F 123.7 . .
C2F C30M C75E 115(2) . .
C2F C30M H30M 122.7 . .
C75E C30M H30M 122.7 . .
C184 C30S C62 120.1(13) . .
C184 C30S H30S 119.9 . .
C62 C30S H30S 119.9 . .
C16D C30Y C17J 120.2(15) . .
C16D C30Y H30Y 119.9 . .
C17J C30Y H30Y 119.9 . .
N22 C32T C37O 108.3(16) . .
N22 C32T H32T 125.8 . .
C37O C32T H32T 125.8 . .
C16D C34D C35 120.1(18) . .
C16D C34D H34D 120.0 . .
C35 C34D H34D 120.0 . .
C220 C35 C34D 119.9(19) . .
C220 C35 H35 120.1 . .
C34D C35 H35 120.1 . .
C154 C36P C39 117.5(12) . .
C154 C36P C134 121.8(11) . .
C39 C36P C134 120.6(10) . .
C17O C37 C22S 118.8(10) . .
C17O C37 C11 122.8(10) . .
C22S C37 C11 118.4(9) . .
C32T C37O C97 104.1(15) . .
C32T C37O H37O 128.0 . .
C97 C37O H37O 128.0 . .
C13X C37R C243 118.5(13) . .
C13X C37R H37R 120.8 . .
C243 C37R H37R 120.8 . .
N19 C38F C183 111.6(12) . .
N19 C38F C67 116.6(11) . .
C183 C38F C67 131.8(12) . .
C111 C39 C36P 120.8(11) . .
C111 C39 H39 119.6 . .
C36P C39 H39 119.6 . .
C137 C40 C96 120.1(11) . .
C137 C40 H40 120.0 . .
C96 C40 H40 120.0 . .
C173 C40W C24M 119.7(13) . .
C173 C40W H40W 120.2 . .
C24M C40W H40W 120.2 . .
C17 C42G C27 117.3(17) . .
C17 C42G H42G 121.3 . .
C27 C42G H42G 121.3 . .
C58 C43 C55 121.7(11) . .
C58 C43 H43 119.1 . .
C55 C43 H43 119.1 . .
C97E C44T C17C 123.5(16) . .
C97E C44T H44T 118.2 . .
C17C C44T H44T 118.2 . .
C225 C48X C171 119.3(12) . .
C225 C48X H48X 120.3 . .
C171 C48X H48X 120.3 . .
O8 C49 O27 119.7(11) . .
O8 C49 C68 118.6(10) . .
O27 C49 C68 121.5(10) . .
O8 C49 Tb2 59.1(6) . .
O27 C49 Tb2 61.5(6) . .
C68 C49 Tb2 167.1(8) . .
C22S C50K C69 120.5(11) . .
C22S C50K H50K 119.7 . .
C69 C50K H50K 119.7 . .
C156 C51 C79 118.5(11) . .
C156 C51 C85 121.8(10) . .
C79 C51 C85 119.7(11) . .
C137 C52 C157 120.4(11) . .
C137 C52 N29 120.3(11) . .
C157 C52 N29 119.1(11) . .
C43 C55 C93 118.9(10) . .
C43 C55 H55 120.6 . .
C93 C55 H55 120.6 . .
C30F C55D C24H 127.6(19) . .
C30F C55D C28F 113.9(17) . .
C24H C55D C28F 117.9(17) . .
C43 C58 C207 119.8(10) . .
C43 C58 N59 122.3(10) . .
C207 C58 N59 117.9(10) . .
C176 C59T C23 102.9(14) . .
C176 C59T H59T 128.6 . .
C23 C59T H59T 128.6 . .
C274 C60 C260 120.3(11) . .
C274 C60 H60 119.8 . .
C260 C60 H60 119.8 . .
C22F C61D C10W 105.9(15) . .
C22F C61D H61D 127.1 . .
C10W C61D H61D 127.1 . .
C30S C62 C247 119.3(12) . .
C30S C62 N110 120.6(12) . .
C247 C62 N110 120.1(11) . .
C123 C67 C125 117.8(11) . .
C123 C67 C38F 117.6(11) . .
C125 C67 C38F 124.4(11) . .
C117 C68 C115 119.3(11) . .
C117 C68 C49 120.5(10) . .
C115 C68 C49 120.2(11) . .
C50K C69 C119 119.3(10) . .
C50K C69 N24 119.4(10) . .
C119 C69 N24 121.2(11) . .
N66 C73 C230 111.0(11) . .
N66 C73 C190 119.2(11) . .
C230 C73 C190 129.9(12) . .
C26 C73F C25S 120.1(13) . .
C26 C73F H73F 119.9 . .
C25S C73F H73F 119.9 . .
C25E C75E C30M 127.1(17) . .
C25E C75E C29 113.4(17) . .
C30M C75E C29 117.6(19) . .
N195 C77 C250 111.6(11) . .
N195 C77 C259 118.3(12) . .
C250 C77 C259 130.1(12) . .
C180 C78 C20M 121.3(12) . .
C180 C78 N35 121.4(11) . .
C20M C78 N35 117.4(11) . .
C23E C78D C148 106.9(15) . .
C23E C78D H78D 126.5 . .
C148 C78D H78D 126.5 . .
C190 C79 C51 120.9(11) . .
C190 C79 H79 119.6 . .
C51 C79 H79 119.6 . .
C227 C82 C109 122.7(11) . .
C227 C82 N71 120.9(11) . .
C109 C82 N71 116.3(10) . .
N16 C83 C140 111.6(11) . .
N16 C83 C171 120.0(11) . .
C140 C83 C171 128.2(11) . .
O2 C84 O20R 123.0(11) . .
O2 C84 C96 118.4(10) . .
O20R C84 C96 118.6(11) . .
N26 C85 C17F 109.1(11) . .
N26 C85 C51 122.8(10) . .
C17F C85 C51 128.1(11) . .
C156 C86 C179 118.6(11) . .
C156 C86 C142 124.0(10) . .
C179 C86 C142 117.4(11) . .
C27M C91A N16H 106.0(14) . .
C27M C91A H91A 127.0 . .
N16H C91A H91A 127.0 . .
C141 C92 C109 122.0(11) . .
C141 C92 H92 119.0 . .
C109 C92 H92 119.0 . .
C149 C93 C55 119.6(10) . .
C149 C93 C136 118.8(10) . .
C55 C93 C136 121.5(10) . .
N108 C94 C20 111.3(12) . .
N108 C94 C188 122.3(11) . .
C20 C94 C188 126.3(12) . .
N87 C95 C22K 110.7(13) . .
N87 C95 C170 122.4(12) . .
C22K C95 C170 126.9(14) . .
C192 C96 C40 119.3(11) . .
C192 C96 C84 121.0(11) . .
C40 C96 C84 119.7(10) . .
N264 C97 C37O 111.3(14) . .
N264 C97 C205 122.2(15) . .
C37O C97 C205 126.5(14) . .
C44T C97E C29U 118.3(16) . .
C44T C97E H97E 120.9 . .
C29U C97E H97E 120.9 . .
O54 C98 O126 117.2(11) . .
O54 C98 C20F 120.2(12) . .
O126 C98 C20F 122.5(11) . .
O54 C98 Tb2 57.4(6) . 8_564
O126 C98 Tb2 60.7(6) . 8_564
C20F C98 Tb2 172.2(9) . 8_564
N72 C99 C20B 110.3(12) . .
N72 C99 C204 116.8(13) . .
C20B C99 C204 132.8(13) . .
C20T C99L C133 104.4(12) . .
C20T C99L H99L 127.8 . .
C133 C99L H99L 127.8 . .
O122 C102 O210 120.2(14) . .
O122 C102 C19T 122.3(13) . .
O210 C102 C19T 117.4(13) . .
O122 C102 Tb6 61.9(8) . .
O210 C102 Tb6 58.2(7) . .
C19T C102 Tb6 173.4(12) . .
N71 C103 C169 109.0(11) . .
N71 C103 H103 125.5 . .
C169 C103 H103 125.5 . .
C29K C106 C198 118.5(15) . .
C29K C106 C226 120.6(15) . .
C198 C106 C226 120.8(13) . .
C188 C107 C150 119.1(12) . .
C188 C107 H107 120.4 . .
C150 C107 H107 120.4 . .
C92 C109 C82 116.2(11) . .
C92 C109 H109 121.9 . .
C82 C109 H109 121.9 . .
C120 C111 C39 120.3(11) . .
C120 C111 H111 119.8 . .
C39 C111 H111 119.8 . .
C141 C114 C227 119.7(12) . .
C141 C114 H114 120.2 . .
C227 C114 H114 120.2 . .
C68 C115 C180 121.8(12) . .
C68 C115 H115 119.1 . .
C180 C115 H115 119.1 . .
C171 C116 C158 119.9(11) . .
C171 C116 H116 120.1 . .
C158 C116 H116 120.0 . .
C68 C117 C20M 121.1(12) . .
C68 C117 H117 119.5 . .
C20M C117 H117 119.5 . .
C17O C119 C69 120.0(10) . .
C17O C119 H119 120.0 . .
C69 C119 H119 120.0 . .
C111 C120 C257 120.3(11) . .
C111 C120 N15 120.7(11) . .
C257 C120 N15 119.0(11) . .
C259 C123 C67 122.5(12) . .
C259 C123 H123 118.7 . .
C67 C123 H123 118.7 . .
C165 C125 C67 120.9(11) . .
C165 C125 H125 119.6 . .
C67 C125 H125 119.6 . .
C242 C127 C170 117.5(13) . .
C242 C127 H127 121.3 . .
C170 C127 H127 121.3 . .
C260 C128 C254 120.8(11) . .
C260 C128 H128 119.6 . .
C254 C128 H128 119.6 . .
C241 C130 C25R 118.9(14) . .
C241 C130 N61 120.9(15) . .
C25R C130 N61 120.2(13) . .
C255 C131 C186 118.6(12) . .
C255 C131 C229 120.4(13) . .
C186 C131 C229 120.7(13) . .
C20A C132 C272 119.4(12) . .
C20A C132 N57 120.5(13) . .
C272 C132 N57 120.0(11) . .
N81 C133 C99L 111.7(11) . .
N81 C133 C158 116.4(11) . .
C99L C133 C158 131.8(12) . .
O14 C134 O3 123.8(11) . .
O14 C134 C36P 118.7(10) . .
O3 C134 C36P 117.5(11) . .
N221 C135 C17V 110.6(13) . .
N221 C135 C238 122.6(14) . .
C17V C135 C238 126.8(13) . .
O23 C136 O10 124.4(11) . .
O23 C136 C93 120.3(11) . .
O10 C136 C93 115.3(10) . .
C52 C137 C40 120.0(11) . .
C52 C137 H137 120.0 . .
C40 C137 H137 120.0 . .
O182 C138 O9 123.5(11) . .
O182 C138 C260 121.5(11) . .
O9 C138 C260 115.0(10) . .
C206 C140 C83 105.7(12) . .
C206 C140 H140 127.1 . .
C83 C140 H140 127.1 . .
C92 C141 C114 120.1(12) . .
C92 C141 C21E 119.4(11) . .
C114 C141 C21E 120.2(11) . .
N32 C142 C19F 110.0(10) . .
N32 C142 C86 116.0(10) . .
C19F C142 C86 134.0(11) . .
C196 C143 C191 119.4(13) . .
C196 C143 C164 123.2(13) . .
C191 C143 C164 117.3(13) . .
O44 C144 O80 117.9(13) . .
O44 C144 C220 120.2(12) . .
O80 C144 C220 121.8(13) . .
O44 C144 Tb4 57.4(7) . .
O80 C144 Tb4 60.5(7) . .
C220 C144 Tb4 176.2(10) . .
C188 C145 C238 122.8(13) . 8_554
C188 C145 H145 118.6 . .
C238 C145 H145 118.6 8_554 .
C246 C147 C18O 118.8(12) . .
C246 C147 N89 121.7(12) . .
C18O C147 N89 119.5(11) . .
N124 C148 C78D 109.0(13) . .
N124 C148 C251 118.9(14) . .
C78D C148 C251 132.1(14) . .
C93 C149 C207 120.3(11) . .
C93 C149 H149 119.9 . .
C207 C149 H149 119.9 . .
C107 C150 C199 120.5(12) . .
C107 C150 C194 121.9(13) . .
C199 C150 C194 117.5(13) . .
C36P C154 C257 122.8(12) . .
C36P C154 H154 118.6 . .
C257 C154 H154 118.6 . .
C86 C156 C51 121.9(10) . .
C86 C156 H156 119.1 . .
C51 C156 H156 119.1 . .
C192 C157 C52 119.1(12) . .
C192 C157 H157 120.5 . .
C52 C157 H157 120.5 . .
C116 C158 C160 118.6(11) . .
C116 C158 C133 124.7(11) . .
C160 C158 C133 116.6(11) . .
C225 C160 C158 120.9(11) . .
C225 C160 H160 119.5 . .
C158 C160 H160 119.5 . .
C274 C163 C254 119.9(10) . .
C274 C163 N104 120.5(10) . .
C254 C163 N104 119.5(10) . .
N75 C164 C267 109.0(12) . .
N75 C164 C143 123.1(13) . .
C267 C164 C143 127.9(13) . .
C125 C165 C213 119.6(11) . .
C125 C165 C240 122.4(11) . .
C213 C165 C240 118.1(11) . .
C103 C169 C25G 104.0(11) . .
C103 C169 H169 128.0 . .
C25G C169 H169 128.0 . .
C231 C170 C127 121.2(12) . .
C231 C170 C95 120.9(13) . .
C127 C170 C95 117.9(13) . .
C116 C171 C48X 121.2(12) . .
C116 C171 C83 122.0(11) . .
C48X C171 C83 116.9(11) . .
C40W C173 C244 119.0(11) . .
C40W C173 N46 120.4(12) . .
C244 C173 N46 120.5(11) . .
N271 C176 C59T 114.1(13) . .
N271 C176 C242 116.0(14) . .
C59T C176 C242 129.8(13) . .
O152 C177 O33V 119.0(12) . .
O152 C177 C236 119.5(12) . .
O33V C177 C236 121.3(12) . .
O152 C177 Tb5 58.4(7) . .
O33V C177 Tb5 61.0(7) . .
C236 C177 Tb5 169.1(9) . .
C190 C179 C86 121.0(11) . .
C190 C179 H179 119.5 . .
C86 C179 H179 119.5 . .
C78 C180 C115 118.2(12) . .
C78 C180 H180 120.9 . .
C115 C180 H180 120.9 . .
N57 C181 C250 106.8(12) . .
N57 C181 H181 126.6 . .
C250 C181 H181 126.6 . .
C18S C183 C38F 105.6(12) . .
C18S C183 H183 127.2 . .
C38F C183 H183 127.2 . .
C30S C184 C276 122.2(13) . .
C30S C184 H184 118.9 . .
C276 C184 H184 118.9 . .
C249 C185 N113 120.2(11) . .
C249 C185 C26 121.2(12) . .
N113 C185 C26 118.5(12) . .
C131 C186 C251 120.2(13) . .
C131 C186 H186 119.9 . .
C251 C186 H186 119.9 . .
C242 C187 C204 121.0(13) . .
C242 C187 H187 119.5 . .
C204 C187 H187 119.5 . .
C145 C188 C107 119.5(12) . .
C145 C188 C94 119.3(12) . .
C107 C188 C94 120.9(12) . .
O234 C189 O167 118.5(13) . .
O234 C189 C232 120.4(14) . .
O167 C189 C232 121.0(13) . .
O234 C189 Tb5 56.5(7) . 2
O167 C189 Tb5 63.5(7) . 2
C232 C189 Tb5 169.5(10) . 2
C79 C190 C179 119.1(11) . .
C79 C190 C73 122.7(11) . .
C179 C190 C73 118.3(11) . .
C143 C191 C279 120.6(13) . .
C143 C191 H191 119.7 . .
C279 C191 H191 119.7 . .
C157 C192 C96 121.2(12) . .
C157 C192 H192 119.4 . .
C96 C192 H192 119.4 . .
N112 C194 C19 111.6(13) . .
N112 C194 C150 118.0(13) . .
C19 C194 C150 130.3(14) . .
C143 C196 C17X 120.0(13) . .
C143 C196 H196 120.0 . .
C17X C196 H196 120.0 . .
C20A C197 C232 119.7(12) . .
C20A C197 H197 120.1 . .
C232 C197 H197 120.1 . .
C106 C198 C241 120.4(13) . .
C106 C198 H198 119.8 . .
C241 C198 H198 119.8 . .
C238 C199 C150 119.5(13) 8_554 .
C238 C199 H199 120.3 8_554 .
C150 C199 H199 120.3 . .
N46 C203 C230 107.6(11) . .
N46 C203 H203 126.2 . .
C230 C203 H203 126.2 . .
C187 C204 C231 119.6(13) . .
C187 C204 C99 116.8(12) . .
C231 C204 C99 123.6(13) . .
C255 C205 C228 118.4(13) . .
C255 C205 C97 121.9(14) . .
C228 C205 C97 119.6(14) . .
N24 C206 C140 107.0(12) . .
N24 C206 H206 126.5 . .
C140 C206 H206 126.5 . .
C149 C207 C58 119.7(10) . .
C149 C207 H207 120.1 . .
C58 C207 H207 120.1 . .
O64 C208 O30 119.7(12) . .
O64 C208 C17C 121.9(12) . .
O30 C208 C17C 118.4(12) . .
O64 C208 Tb3 61.6(7) . .
O30 C208 Tb3 58.1(6) . .
C17C C208 Tb3 176.4(9) . .
C246 C209 C236 120.6(12) . .
C246 C209 H209 119.7 . .
C236 C209 H209 119.7 . .
C19H C212 C243 120.9(14) . .
C19H C212 H212 119.5 . .
C243 C212 H212 119.5 . .
C259 C213 C165 120.3(12) . .
C259 C213 H213 119.9 . .
C165 C213 H213 119.9 . .
N15 C215 C267 105.2(13) . .
N15 C215 H215 127.4 . .
C267 C215 H215 127.4 . .
N223 C216 C27M 109.5(13) . .
N223 C216 C279 120.2(12) . 8
C27M C216 C279 130.0(13) . 8
C244 C219 C20F 120.3(14) . .
C244 C219 H219 119.8 . .
C20F C219 H219 119.8 . .
C35 C220 C17J 119.2(15) . .
C35 C220 C144 118.8(14) . .
C17J C220 C144 121.9(13) . .
C160 C225 C48X 119.9(11) . .
C160 C225 C25G 118.0(11) . .
C48X C225 C25G 122.1(11) . .
O162 C226 O222 120.5(13) . .
O162 C226 C106 117.9(14) . .
O222 C226 C106 121.4(14) . .
O162 C226 Tb7 59.1(7) . 2
O222 C226 Tb7 61.6(8) . 2
C106 C226 Tb7 168.8(15) . 2
C82 C227 C114 119.3(12) . .
C82 C227 H227 120.4 . .
C114 C227 H227 120.4 . .
C205 C228 C251 122.2(13) . .
C205 C228 H228 118.9 . .
C251 C228 H228 118.9 . .
N202 C229 C266 110.2(13) . .
N202 C229 C131 124.4(13) . .
C266 C229 C131 125.4(13) . .
C203 C230 C73 104.4(12) . .
C203 C230 H230 127.8 . .
C73 C230 H230 127.8 . .
C170 C231 C204 119.4(13) . .
C170 C231 H231 120.3 . .
C204 C231 H231 120.3 . .
C197 C232 C26U 119.5(12) . .
C197 C232 C189 118.9(12) . .
C26U C232 C189 121.2(13) . .
C209 C236 C6 118.7(12) . .
C209 C236 C177 120.2(12) . .
C6 C236 C177 121.0(11) . .
C19P C237 C18I 121.0(11) . .
C19P C237 N53 118.5(11) . 7_565
C18I C237 N53 120.4(11) . 7_565
C145 C238 C199 118.6(13) 8 8
C145 C238 C135 121.7(13) 8 .
C199 C238 C135 119.7(13) 8 .
C258 C239 C240 107.5(12) . .
C258 C239 H239 126.2 . .
C240 C239 H239 126.2 . .
N63 C240 C239 108.9(11) . .
N63 C240 C165 122.4(11) . .
C239 C240 C165 128.6(12) . .
C130 C241 C198 119.5(14) . .
C130 C241 H241 120.2 . .
C198 C241 H241 120.2 . .
C187 C242 C127 121.2(14) . .
C187 C242 C176 121.0(13) . .
C127 C242 C176 117.8(13) . .
C212 C243 C37R 120.8(13) . .
C212 C243 N47 119.7(12) . .
C37R C243 N47 119.4(12) . .
C219 C244 C173 120.6(12) . .
C219 C244 H244 119.7 . .
C173 C244 H244 119.7 . .
C147 C246 C209 120.8(13) . .
C147 C246 H246 119.6 . .
C209 C246 H246 119.6 . .
C262 C247 C62 119.6(12) . .
C262 C247 H247 120.2 . .
C62 C247 H247 120.2 . .
C185 C249 C280 119.8(12) . .
C185 C249 H249 120.1 . .
C280 C249 H249 120.1 . .
C181 C250 C77 105.9(12) . .
C181 C250 H250 127.1 . .
C77 C250 H250 127.1 . .
C228 C251 C186 117.7(14) . .
C228 C251 C148 119.1(13) . .
C186 C251 C148 123.1(14) . .
C128 C254 C163 119.2(10) . .
C128 C254 H254 120.4 . .
C163 C254 H254 120.4 . .
C205 C255 C131 122.8(14) . .
C205 C255 H255 118.6 . .
C131 C255 H255 118.6 . .
C154 C257 C120 118.2(11) . .
C154 C257 H257 120.9 . .
C120 C257 H257 120.9 . .
C239 C258 N104 107.9(13) . .
C239 C258 H258 126.1 . .
N104 C258 H258 126.1 . .
C123 C259 C213 118.9(12) . .
C123 C259 C77 120.4(11) . .
C213 C259 C77 120.7(12) . .
C128 C260 C60 119.3(11) . .
C128 C260 C138 119.9(11) . .
C60 C260 C138 120.7(11) . .
C247 C262 C276 120.7(13) . .
C247 C262 H262 119.6 . .
C276 C262 H262 119.6 . .
C24R C266 C229 105.2(14) . .
C24R C266 H266 127.4 . .
C229 C266 H266 127.4 . .
C215 C267 C164 106.9(12) . .
C215 C267 H267 126.6 . .
C164 C267 H267 126.6 . .
C132 C272 C26U 120.5(13) . .
C132 C272 H272 119.7 . .
C26U C272 H272 119.7 . .
C60 C274 C163 120.4(11) . .
C60 C274 H274 119.8 . .
C163 C274 H274 119.8 . .
C20B C275 N35 106.2(13) . .
C20B C275 H275 126.9 . .
N35 C275 H275 126.9 . .
C184 C276 C262 118.0(13) . .
C184 C276 C21F 120.8(12) . .
C262 C276 C21F 121.2(12) . .
C19M C279 C191 118.8(13) . .
C19M C279 C216 122.0(13) . 8_554
C191 C279 C216 119.1(12) . 8_554
C25S C280 C249 119.6(13) . .
C25S C280 H280 120.2 . .
C249 C280 H280 120.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C36E C48 1.3900 .
C36E C23X 1.3900 .
C36E C21 1.522(18) .
C48 C28 1.3900 .
C48 H48 0.9300 .
C28 C26K 1.3900 .
C28 H28 0.9300 .
C26K C27H 1.3900 .
C26K N22 1.429(18) .
C27H C23X 1.3900 .
C27H H27H 0.9300 .
C23X H23X 0.9300 .
Tb1 O23 2.349(8) .
Tb1 O41 2.361(10) .
Tb1 O74 2.371(10) .
Tb1 O4 2.390(9) .
Tb1 O1 2.405(9) .
Tb1 O7 2.426(8) .
Tb1 O12 2.474(9) 8_565
Tb1 O139 2.511(9) 8_565
Tb1 C28X 2.773(12) .
Tb1 C21E 2.863(12) 8_565
Tb2 O76 2.351(9) .
Tb2 O91 2.363(9) .
Tb2 O9 2.365(8) .
Tb2 O5 2.376(8) .
Tb2 O8 2.378(8) .
Tb2 O27 2.431(8) .
Tb2 O54 2.443(8) 8_565
Tb2 O126 2.508(8) 8_565
Tb2 C49 2.765(12) .
Tb2 C98 2.874(12) 8_565
Tb3 O151 2.285(9) .
Tb3 O14 2.311(8) .
Tb3 O2 2.378(9) .
Tb3 O265 2.392(10) .
Tb3 O30 2.409(9) .
Tb3 O261 2.424(11) .
Tb3 O13 2.466(8) .
Tb3 O64 2.486(9) .
Tb3 C208 2.825(12) .
Tb4 O146 2.279(10) 7_554
Tb4 O245 2.306(10) .
Tb4 O21I 2.338(18) .
Tb4 O3 2.376(9) 7_554
Tb4 O278 2.389(15) .
Tb4 O44 2.396(9) .
Tb4 O65 2.444(10) .
Tb4 O80 2.462(10) .
Tb4 C144 2.827(14) .
Tb5 O90 2.369(10) .
Tb5 O152 2.383(9) .
Tb5 O224 2.394(12) .
Tb5 O10 2.402(9) 7_565
Tb5 O234 2.432(10) 2
Tb5 O19 2.432(15) .
Tb5 O33V 2.438(10) .
Tb5 O5K 2.443(18) .
Tb5 O167 2.580(10) 2
Tb5 C177 2.786(13) .
Tb5 C189 2.883(13) 2
O5K C21 1.344(18) .
Tb6 O27X 2.322(10) .
Tb6 O20R 2.335(9) 2
Tb6 O20O 2.383(10) 2
Tb6 O31 2.385(10) .
Tb6 O175 2.389(15) .
Tb6 O210 2.396(10) .
Tb6 O122 2.479(9) .
Tb6 O56 2.484(10) .
Tb6 C102 2.809(15) .
Tb7 O182 2.330(9) .
Tb7 O162 2.374(9) 2
Tb7 O16 2.384(11) .
Tb7 O118 2.419(9) 2_556
Tb7 O101 2.424(13) 2
Tb7 O222 2.429(11) 2
Tb7 O166 2.484(14) .
Tb7 O20F 2.562(15) 2_556
Tb7 C226 2.759(14) 2
Tb7 C29 2.861(17) 2_556
O1 C11 1.247(13) .
O2 C84 1.254(14) .
O3 C134 1.270(13) .
O3 Tb4 2.377(9) 7_554
O4 C28X 1.261(13) .
O5 C11 1.233(13) .
O7 C28X 1.260(14) .
O8 C49 1.253(13) .
O9 C138 1.306(13) .
O10 C136 1.267(14) .
O10 Tb5 2.402(9) 7_565
O12 C21E 1.269(14) .
O12 Tb1 2.474(9) 8_564
O14 C134 1.242(14) .
O20F C29 1.32(2) .
O20F Tb7 2.562(15) 2_556
O20O C28F 1.305(19) .
O20O Tb6 2.383(10) 2
O20R C84 1.271(14) .
O20R Tb6 2.334(9) 2
O23 C136 1.258(14) .
O27 C49 1.254(13) .
O30 C208 1.277(14) .
O31 C21F 1.249(15) .
O27X C21 1.16(3) .
O33V C177 1.264(15) .
O44 C144 1.263(15) .
O54 C98 1.234(14) .
O54 Tb2 2.442(8) 8_564
O64 C208 1.249(15) .
O80 C144 1.282(16) .
O90 C21F 1.248(15) .
O101 C18Z 1.268(17) .
O101 Tb7 2.424(13) 2
O118 C29 1.20(2) .
O118 Tb7 2.419(9) 2_556
O118 H40I 0.96(2) .
O122 C102 1.255(16) .
O126 C98 1.287(15) .
O126 Tb2 2.508(8) 8_564
O139 C21E 1.279(15) .
O139 Tb1 2.511(9) 8_564
O146 C16R 1.323(18) .
O146 Tb4 2.279(9) 7_554
O151 C28F 1.27(2) .
O152 C177 1.237(15) .
O162 C226 1.252(17) .
O162 Tb7 2.374(9) 2
O167 C189 1.258(18) .
O167 Tb5 2.580(9) 2
O182 C138 1.244(14) .
O210 C102 1.289(16) .
O222 C226 1.255(18) .
O222 Tb7 2.429(11) 2
O234 C189 1.229(17) .
O234 Tb5 2.432(10) 2
O245 C18Z 1.272(16) .
O265 C16R 1.238(17) .
N15 C215 1.339(17) .
N15 N75 1.355(14) .
N15 C120 1.423(15) .
N15A C22D 1.340(19) .
N15A N221 1.380(17) .
N15A C23Q 1.413(19) .
N16 C83 1.324(14) .
N16 N24 1.386(13) .
N16H C91A 1.36(2) .
N16H N223 1.368(16) .
N16H C26H 1.389(17) .
N17 N18 1.358(15) .
N17 C22F 1.361(19) .
N17 C16D 1.428(16) .
N18 C10W 1.318(17) .
N19 C38F 1.321(15) .
N19 N47 1.350(14) .
N22 C32T 1.35(2) .
N22 N264 1.350(19) .
N24 C206 1.350(16) .
N24 C69 1.411(14) .
N26 C85 1.321(14) .
N26 N59 1.358(13) .
N29 C21V 1.355(17) .
N29 N108 1.358(13) .
N29 C52 1.411(15) .
N32 C142 1.345(14) .
N32 N53 1.352(13) .
N35 C275 1.364(17) .
N35 N72 1.366(14) .
N35 C78 1.431(15) .
N42 C25G 1.352(14) .
N42 N71 1.374(13) .
N46 C203 1.349(17) .
N46 N66 1.365(13) .
N46 C173 1.404(14) .
N47 C18S 1.365(17) .
N47 C243 1.423(16) .
N53 C27Y 1.356(15) .
N53 C237 1.420(15) 7_565
N57 C181 1.342(16) .
N57 N195 1.381(13) .
N57 C132 1.401(15) .
N59 C20E 1.345(14) .
N59 C58 1.412(13) .
N61 N112 1.331(16) .
N61 C24X 1.356(19) .
N61 C130 1.405(17) .
N63 C240 1.342(15) .
N63 N104 1.383(14) .
N66 C73 1.319(15) .
N71 C103 1.350(15) .
N71 C82 1.428(14) .
N72 C99 1.341(16) .
N75 C164 1.337(16) .
N81 C133 1.325(16) .
N81 N89 1.371(14) .
N87 C95 1.340(17) .
N87 N110 1.365(14) .
N89 C20T 1.343(15) .
N89 C147 1.413(15) .
N104 C258 1.357(16) .
N104 C163 1.404(14) .
N108 C94 1.311(15) .
N110 C26D 1.359(17) .
N110 C62 1.401(16) .
N112 C194 1.333(17) .
N113 C24R 1.351(18) .
N113 N202 1.360(14) .
N113 C185 1.406(16) .
N124 C148 1.341(16) .
N124 N263 1.342(16) .
N195 C77 1.337(16) .
N202 C229 1.322(17) .
N214 C23 1.31(2) .
N214 N271 1.382(18) .
N214 C24P 1.427(17) .
N221 C135 1.320(18) .
N223 C216 1.343(16) .
N263 C23E 1.340(19) .
N263 C29U 1.424(17) .
N264 C97 1.332(18) .
N271 C176 1.338(17) .
C2F C30M 1.41(2) .
C2F C24P 1.54(3) .
C2F H2F 0.9300 .
C6 C18O 1.379(17) .
C6 C236 1.393(17) .
C6 H6 0.9300 .
C10W C61D 1.43(2) .
C10W C17X 1.460(19) .
C11 C37 1.496(15) .
C13X C37R 1.361(18) .
C13X C19T 1.383(19) .
C13X H13X 0.9300 .
C16D C30Y 1.318(19) .
C16D C34D 1.38(2) .
C16R C17 1.57(2) .
C17 C42G 1.29(2) .
C17 C21S 1.36(2) .
C17C C29D 1.36(2) .
C17C C44T 1.37(2) .
C17C C208 1.490(17) .
C17F C20E 1.322(18) .
C17F C85 1.442(17) .
C17F H17F 0.9300 .
C17J C220 1.365(19) .
C17J C30Y 1.384(19) .
C17J H17J 0.9300 .
C17L C18I 1.378(16) .
C17L C20C 1.400(16) .
C17L H17L 0.9300 .
C17O C119 1.358(15) .
C17O C37 1.396(15) .
C17O H17O 0.9300 .
C17V C22D 1.328(19) .
C17V C135 1.40(2) .
C17V H17V 0.9300 .
C17X C19M 1.384(18) .
C17X C196 1.394(18) .
C18I C237 1.387(17) .
C18I H18I 0.9300 .
C18O C147 1.391(18) .
C18O H18O 0.9300 .
C18S C183 1.352(19) .
C18S H18S 0.9300 .
C18Z C25S 1.485(19) .
C19 C194 1.36(2) .
C19 C24X 1.38(2) .
C19 H19 0.9300 .
C19F C27Y 1.364(18) .
C19F C142 1.415(17) .
C19F H19F 0.9300 .
C19H C212 1.35(2) .
C19H C19T 1.42(2) .
C19H H19H 0.9300 .
C19M C279 1.380(18) .
C19M H19M 0.9300 .
C19P C20L 1.373(17) .
C19P C237 1.378(17) .
C19P H19P 0.9300 .
C19T C102 1.485(19) .
C20 C21V 1.35(2) .
C20 C94 1.408(18) .
C20 H20 0.9300 .
C20A C197 1.378(18) .
C20A C132 1.377(17) .
C20A H20A 0.9300 .
C20B C275 1.357(18) .
C20B C99 1.397(19) .
C20B H20B 0.9300 .
C20C C20L 1.373(16) .
C20C C28X 1.488(16) .
C20E H20E 0.9300 .
C20F C24M 1.348(18) .
C20F C219 1.421(17) .
C20F C98 1.475(16) .
C20L H20L 0.9300 .
C20M C117 1.384(17) .
C20M C78 1.416(17) .
C20M H20M 0.9300 .
C20T C99L 1.377(18) .
C20T H20T 0.9300 .
C21E C141 1.517(16) .
C21E Tb1 2.863(12) 8_564
C21F C276 1.490(19) .
C21S C22U 1.34(2) .
C21S H21S 0.9300 .
C21V H21V 0.9300 .
C22D H22D 0.9300 .
C22F C61D 1.36(2) .
C22F H22F 0.9300 .
C22K C26D 1.38(2) .
C22K C95 1.392(19) .
C22K H22K 0.9300 .
C22S C50K 1.363(16) .
C22S C37 1.413(15) .
C22S H22S 0.9300 .
C22U C23Q 1.35(3) .
C22U H22U 0.9300 .
C23 C59T 1.38(2) .
C23 H23 0.9300 .
C23E C78D 1.39(2) .
C23E H23E 0.9300 .
C23F C29U 1.36(2) .
C23F C29D 1.40(2) .
C23F H23F 0.9300 .
C23Q C27 1.29(2) .
C24H C55D 1.33(2) .
C24H C25P 1.39(2) .
C24H H24H 0.9300 .
C24M C40W 1.405(18) .
C24M H24M 0.9300 .
C24P C27E 1.33(3) .
C24R C266 1.34(2) .
C24R H24R 0.9300 .
C24X H24X 0.9300 .
C25E C75E 1.35(3) .
C25E C27E 1.55(3) .
C25E H25E 0.9300 .
C25G C169 1.399(17) .
C25G C225 1.480(15) .
C25P C26H 1.46(2) .
C25P H25P 0.9300 .
C25R C29K 1.37(2) .
C25R C130 1.38(2) .
C25R H25R 0.9300 .
C25S C73F 1.399(19) .
C25S C280 1.405(17) .
C26 C73F 1.378(19) .
C26 C185 1.414(18) .
C26 H26 0.9300 .
C26D H26D 0.9300 .
C26H C30 1.28(3) .
C26U C272 1.397(17) .
C26U C232 1.417(18) .
C26U H26U 0.9300 .
C27 C42G 1.59(2) .
C27 H27 0.9300 .
C27E H27E 0.9300 .
C27M C91A 1.33(2) .
C27M C216 1.375(19) .
C27M H27M 0.9300 .
C27Y H27Y 0.9300 .
C28F C55D 1.56(2) .
C29 C75E 1.54(2) .
C29 Tb7 2.861(17) 2_556
C29D H29D 0.9300 .
C29K C106 1.38(2) .
C29K H29K 0.9300 .
C29U C97E 1.39(2) .
C30 C30F 1.53(3) .
C30 H30 0.9300 .
C30F C55D 1.29(2) .
C30F H30F 0.9300 .
C30M C75E 1.45(3) .
C30M H30M 0.9300 .
C30S C184 1.355(18) .
C30S C62 1.385(17) .
C30S H30S 0.9300 .
C30Y H30Y 0.9300 .
C32T C37O 1.36(2) .
C32T H32T 0.9300 .
C34D C35 1.39(3) .
C34D H34D 0.9300 .
C35 C220 1.34(2) .
C35 H35 0.9300 .
C36P C154 1.365(16) .
C36P C39 1.396(15) .
C36P C134 1.494(17) .
C37O C97 1.41(2) .
C37O H37O 0.9300 .
C37R C243 1.385(18) .
C37R H37R 0.9300 .
C38F C183 1.384(17) .
C38F C67 1.491(17) .
C39 C111 1.382(16) .
C39 H39 0.9300 .
C40 C137 1.390(15) .
C40 C96 1.396(16) .
C40 H40 0.9300 .
C40W C173 1.386(17) .
C40W H40W 0.9300 .
C42G H42G 0.9300 .
C43 C58 1.360(15) .
C43 C55 1.374(16) .
C43 H43 0.9300 .
C44T C97E 1.36(2) .
C44T H44T 0.9300 .
C48X C225 1.395(16) .
C48X C171 1.410(16) .
C48X H48X 0.9300 .
C49 C68 1.490(16) .
C50K C69 1.400(17) .
C50K H50K 0.9300 .
C51 C156 1.392(16) .
C51 C79 1.408(15) .
C51 C85 1.467(16) .
C52 C137 1.380(16) .
C52 C157 1.407(17) .
C55 C93 1.420(15) .
C55 H55 0.9300 .
C58 C207 1.395(15) .
C59T C176 1.38(2) .
C59T H59T 0.9300 .
C60 C274 1.367(16) .
C60 C260 1.402(16) .
C60 H60 0.9300 .
C61D H61D 0.9300 .
C62 C247 1.400(17) .
C67 C123 1.398(16) .
C67 C125 1.398(16) .
C68 C117 1.366(16) .
C68 C115 1.381(16) .
C69 C119 1.405(15) .
C73 C230 1.412(17) .
C73 C190 1.462(16) .
C73F H73F 0.9300 .
C77 C250 1.394(18) .
C77 C259 1.481(16) .
C78 C180 1.365(17) .
C78D C148 1.39(2) .
C78D H78D 0.9300 .
C79 C190 1.388(16) .
C79 H79 0.9300 .
C82 C227 1.330(17) .
C82 C109 1.425(16) .
C83 C140 1.399(18) .
C83 C171 1.495(17) .
C84 C96 1.493(16) .
C86 C156 1.376(15) .
C86 C179 1.409(16) .
C86 C142 1.475(16) .
C91A H91A 0.9300 .
C92 C141 1.367(17) .
C92 C109 1.381(16) .
C92 H92 0.9300 .
C93 C149 1.372(15) .
C93 C136 1.513(16) .
C94 C188 1.492(17) .
C95 C170 1.475(18) .
C96 C192 1.394(17) .
C97 C205 1.46(2) .
C97E H97E 0.9300 .
C98 Tb2 2.874(12) 8_564
C99 C204 1.471(18) .
C99L C133 1.391(18) .
C99L H99L 0.9300 .
C103 C169 1.359(17) .
C103 H103 0.9300 .
C106 C198 1.39(2) .
C106 C226 1.486(19) .
C107 C188 1.392(17) .
C107 C150 1.410(17) .
C107 H107 0.9300 .
C109 H109 0.9300 .
C111 C120 1.354(16) .
C111 H111 0.9300 .
C114 C141 1.373(17) .
C114 C227 1.407(18) .
C114 H114 0.9300 .
C115 C180 1.388(16) .
C115 H115 0.9300 .
C116 C171 1.378(17) .
C116 C158 1.405(17) .
C116 H116 0.9300 .
C117 H117 0.9300 .
C119 H119 0.9300 .
C120 C257 1.397(17) .
C123 C259 1.370(17) .
C123 H123 0.9300 .
C125 C165 1.386(17) .
C125 H125 0.9300 .
C127 C242 1.409(18) .
C127 C170 1.415(19) .
C127 H127 0.9300 .
C128 C260 1.382(16) .
C128 C254 1.392(16) .
C128 H128 0.9300 .
C130 C241 1.376(19) .
C131 C255 1.391(18) .
C131 C186 1.393(18) .
C131 C229 1.486(18) .
C132 C272 1.384(19) .
C133 C158 1.472(17) .
C135 C238 1.481(18) .
C137 H137 0.9300 .
C138 C260 1.501(16) .
C140 C206 1.366(18) .
C140 H140 0.9300 .
C143 C196 1.384(18) .
C143 C191 1.398(18) .
C143 C164 1.456(18) .
C144 C220 1.466(19) .
C145 C188 1.378(17) .
C145 C238 1.388(18) 8_554
C145 H145 0.9300 .
C147 C246 1.373(17) .
C148 C251 1.432(19) .
C149 C207 1.392(16) .
C149 H149 0.9300 .
C150 C199 1.411(18) .
C150 C194 1.481(18) .
C154 C257 1.378(17) .
C154 H154 0.9300 .
C156 H156 0.9300 .
C157 C192 1.374(17) .
C157 H157 0.9300 .
C158 C160 1.421(16) .
C160 C225 1.385(17) .
C160 H160 0.9300 .
C163 C274 1.393(16) .
C163 C254 1.397(15) .
C164 C267 1.40(2) .
C165 C213 1.400(16) .
C165 C240 1.463(16) .
C169 H169 0.9300 .
C170 C231 1.392(18) .
C173 C244 1.396(18) .
C176 C242 1.519(19) .
C177 C236 1.477(17) .
C179 C190 1.391(16) .
C179 H179 0.9300 .
C180 H180 0.9300 .
C181 C250 1.366(18) .
C181 H181 0.9300 .
C183 H183 0.9300 .
C184 C276 1.386(18) .
C184 H184 0.9300 .
C185 C249 1.359(18) .
C186 C251 1.412(18) .
C186 H186 0.9300 .
C187 C242 1.366(19) .
C187 C204 1.392(19) .
C187 H187 0.9300 .
C189 C232 1.493(17) .
C189 Tb5 2.883(13) 2
C191 C279 1.406(18) .
C191 H191 0.9300 .
C192 H192 0.9300 .
C196 H196 0.9300 .
C197 C232 1.388(18) .
C197 H197 0.9300 .
C198 C241 1.426(19) .
C198 H198 0.9300 .
C199 C238 1.400(19) 8_554
C199 H199 0.9300 .
C203 C230 1.387(18) .
C203 H203 0.9300 .
C204 C231 1.397(17) .
C205 C255 1.353(18) .
C205 C228 1.38(2) .
C206 H206 0.9300 .
C207 H207 0.9300 .
C209 C246 1.382(17) .
C209 C236 1.388(17) .
C209 H209 0.9300 .
C212 C243 1.363(19) .
C212 H212 0.9300 .
C213 C259 1.394(16) .
C213 H213 0.9300 .
C215 C267 1.39(2) .
C215 H215 0.9300 .
C216 C279 1.466(18) 8
C219 C244 1.368(18) .
C219 H219 0.9300 .
C226 Tb7 2.759(14) 2
C227 H227 0.9300 .
C228 C251 1.40(2) .
C228 H228 0.9300 .
C229 C266 1.41(2) .
C230 H230 0.9300 .
C231 H231 0.9300 .
C237 N53 1.419(15) 7_565
C238 C145 1.388(18) 8
C238 C199 1.400(19) 8
C239 C258 1.318(19) .
C239 C240 1.423(18) .
C239 H239 0.9300 .
C241 H241 0.9300 .
C244 H244 0.9300 .
C246 H246 0.9300 .
C247 C262 1.387(18) .
C247 H247 0.9300 .
C249 C280 1.407(17) .
C249 H249 0.9300 .
C250 H250 0.9300 .
C254 H254 0.9300 .
C255 H255 0.9300 .
C257 H257 0.9300 .
C258 H258 0.9300 .
C262 C276 1.390(17) .
C262 H262 0.9300 .
C266 H266 0.9300 .
C267 H267 0.9300 .
C272 H272 0.9300 .
C274 H274 0.9300 .
C275 H275 0.9300 .
C279 C216 1.466(18) 8_554
C280 H280 0.9300 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C23X C36E C48 C28 0.0 . . . .
C21 C36E C48 C28 -179(2) . . . .
C36E C48 C28 C26K 0.0 . . . .
C48 C28 C26K C27H 0.0 . . . .
C48 C28 C26K N22 175.2(14) . . . .
C28 C26K C27H C23X 0.0 . . . .
N22 C26K C27H C23X -174.4(16) . . . .
C26K C27H C23X C36E 0.0 . . . .
C48 C36E C23X C27H 0.0 . . . .
C21 C36E C23X C27H 179(2) . . . .
Tb6 O27X C21 O5K 4(6) . . . .
Tb6 O27X C21 C36E -169.9(14) . . . .
Tb5 O5K C21 O27X 85(6) . . . .
Tb5 O5K C21 C36E -101(4) . . . .
C48 C36E C21 O27X 157(2) . . . .
C23X C36E C21 O27X -22(4) . . . .
C48 C36E C21 O5K -18(3) . . . .
C23X C36E C21 O5K 163(2) . . . .
C22F N17 N18 C10W -1.8(18) . . . .
C16D N17 N18 C10W 180.0(13) . . . .
C28 C26K N22 C32T 8(2) . . . .
C27H C26K N22 C32T -177.4(17) . . . .
C28 C26K N22 N264 -169.0(14) . . . .
C27H C26K N22 N264 6(2) . . . .
C83 N16 N24 C206 0.9(15) . . . .
C83 N16 N24 C69 179.7(11) . . . .
C38F N19 N47 C18S 1.5(16) . . . .
C38F N19 N47 C243 -178.5(11) . . . .
C142 N32 N53 C27Y 0.5(15) . . . .
C142 N32 N53 C237 -175.9(11) . . . 7_565
C85 N26 N59 C20E 1.9(15) . . . .
C85 N26 N59 C58 178.8(11) . . . .
C203 N46 N66 C73 1.3(15) . . . .
C173 N46 N66 C73 178.9(11) . . . .
C25G N42 N71 C103 1.3(13) . . . .
C25G N42 N71 C82 179.2(10) . . . .
C275 N35 N72 C99 0.8(15) . . . .
C78 N35 N72 C99 175.7(11) . . . .
C215 N15 N75 C164 0.8(17) . . . .
C120 N15 N75 C164 179.4(11) . . . .
C133 N81 N89 C20T -1.2(15) . . . .
C133 N81 N89 C147 -178.2(11) . . . .
C240 N63 N104 C258 -0.4(16) . . . .
C240 N63 N104 C163 -179.4(12) . . . .
C21V N29 N108 C94 3.0(18) . . . .
C52 N29 N108 C94 177.3(13) . . . .
C95 N87 N110 C26D 2.6(18) . . . .
C95 N87 N110 C62 179.9(13) . . . .
C24X N61 N112 C194 -2.2(18) . . . .
C130 N61 N112 C194 175.9(13) . . . .
C181 N57 N195 C77 0.1(15) . . . .
C132 N57 N195 C77 178.4(11) . . . .
C24R N113 N202 C229 -0.3(18) . . . .
C185 N113 N202 C229 -179.8(13) . . . .
C22D N15A N221 C135 0.6(18) . . . .
C23Q N15A N221 C135 178.1(14) . . . .
C91A N16H N223 C216 1.9(18) . . . .
C26H N16H N223 C216 178.1(14) . . . .
C148 N124 N263 C23E -1.0(17) . . . .
C148 N124 N263 C29U 177.2(12) . . . .
C32T N22 N264 C97 1(2) . . . .
C26K N22 N264 C97 178.7(16) . . . .
C23 N214 N271 C176 2(2) . . . .
C24P N214 N271 C176 -175.7(15) . . . .
N17 N18 C10W C61D 0.3(18) . . . .
N17 N18 C10W C17X 179.9(13) . . . .
Tb2 O5 C11 O1 71(3) . . . .
Tb2 O5 C11 C37 -110(3) . . . .
Tb1 O1 C11 O5 -93.2(14) . . . .
Tb1 O1 C11 C37 87.5(12) . . . .
N18 N17 C16D C30Y -171.2(15) . . . .
C22F N17 C16D C30Y 11(3) . . . .
N18 N17 C16D C34D 6(2) . . . .
C22F N17 C16D C34D -172(2) . . . .
Tb3 O265 C16R O146 28(6) . . . .
Tb3 O265 C16R C17 -158(4) . . . .
Tb4 O146 C16R O265 14(3) 7_554 . . .
Tb4 O146 C16R C17 -159.8(11) 7_554 . . .
O265 C16R C17 C42G 167.5(16) . . . .
O146 C16R C17 C42G -17(2) . . . .
O265 C16R C17 C21S -5(2) . . . .
O146 C16R C17 C21S 170.7(16) . . . .
N18 C10W C17X C19M -4(2) . . . .
C61D C10W C17X C19M 175.8(17) . . . .
N18 C10W C17X C196 179.0(14) . . . .
C61D C10W C17X C196 -2(3) . . . .
C20C C17L C18I C237 -0.4(18) . . . .
C236 C6 C18O C147 -1(2) . . . .
N19 N47 C18S C183 -2.3(18) . . . .
C243 N47 C18S C183 177.6(14) . . . .
Tb7 O101 C18Z O245 -94(2) 2 . . .
Tb7 O101 C18Z C25S 90.3(19) 2 . . .
Tb4 O245 C18Z O101 83(3) . . . .
Tb4 O245 C18Z C25S -102(3) . . . .
C196 C17X C19M C279 0(2) . . . .
C10W C17X C19M C279 -177.0(14) . . . .
C37R C13X C19T C19H 1(3) . . . .
C37R C13X C19T C102 -174.8(16) . . . .
C212 C19H C19T C13X -1(3) . . . .
C212 C19H C19T C102 174.9(17) . . . .
C18I C17L C20C C20L 1.4(18) . . . .
C18I C17L C20C C28X 173.7(11) . . . .
C85 C17F C20E N59 0.3(19) . . . .
N26 N59 C20E C17F -1.4(18) . . . .
C58 N59 C20E C17F -178.0(14) . . . .
C237 C19P C20L C20C 3(2) . . . .
C17L C20C C20L C19P -3(2) . . . .
C28X C20C C20L C19P -174.8(12) . . . .
N81 N89 C20T C99L 1.8(16) . . . .
C147 N89 C20T C99L 178.1(13) . . . .
Tb1 O12 C21E O139 -9.2(13) 8_564 . . .
Tb1 O12 C21E C141 168.8(10) 8_564 . . .
Tb1 O139 C21E O12 9.1(13) 8_564 . . .
Tb1 O139 C21E C141 -168.9(11) 8_564 . . .
Tb5 O90 C21F O31 -61(3) . . . .
Tb5 O90 C21F C276 121.8(19) . . . .
Tb6 O31 C21F O90 99.5(19) . . . .
Tb6 O31 C21F C276 -83.2(18) . . . .
C42G C17 C21S C22U 4(3) . . . .
C16R C17 C21S C22U 175.8(19) . . . .
C94 C20 C21V N29 2(2) . . . .
N108 N29 C21V C20 -3(2) . . . .
C52 N29 C21V C20 -177.4(16) . . . .
C135 C17V C22D N15A -1.8(19) . . . .
N221 N15A C22D C17V 0.8(19) . . . .
C23Q N15A C22D C17V -176.7(15) . . . .
N18 N17 C22F C61D 3(2) . . . .
C16D N17 C22F C61D -179.4(15) . . . .
C17 C21S C22U C23Q -5(4) . . . .
N271 N214 C23 C59T -2(2) . . . .
C24P N214 C23 C59T 175.4(17) . . . .
N124 N263 C23E C78D 1(2) . . . .
C29U N263 C23E C78D -177.3(15) . . . .
C21S C22U C23Q C27 1(4) . . . .
C21S C22U C23Q N15A -176(2) . . . .
C22D N15A C23Q C27 175.6(18) . . . .
N221 N15A C23Q C27 -2(3) . . . .
C22D N15A C23Q C22U -7(3) . . . .
N221 N15A C23Q C22U 175.9(18) . . . .
C219 C20F C24M C40W 6(2) . . . .
C98 C20F C24M C40W -170.3(14) . . . .
C23 N214 C24P C27E -8(3) . . . .
N271 N214 C24P C27E 169.2(19) . . . .
C23 N214 C24P C2F 161.2(19) . . . .
N271 N214 C24P C2F -22(2) . . . .
C30M C2F C24P C27E -14(3) . . . .
C30M C2F C24P N214 177.4(19) . . . .
N202 N113 C24R C266 0(2) . . . .
C185 N113 C24R C266 179.5(16) . . . .
N112 N61 C24X C19 1(2) . . . .
C130 N61 C24X C19 -176.5(16) . . . .
C194 C19 C24X N61 0(2) . . . .
N71 N42 C25G C169 -0.5(14) . . . .
N71 N42 C25G C225 178.0(10) . . . .
C55D C24H C25P C26H -6(3) . . . .
O101 C18Z C25S C73F 11(3) . . . .
O245 C18Z C25S C73F -164.3(17) . . . .
O101 C18Z C25S C280 -164.1(17) . . . .
O245 C18Z C25S C280 20(3) . . . .
N87 N110 C26D C22K -3(2) . . . .
C62 N110 C26D C22K 179.8(16) . . . .
C95 C22K C26D N110 2(2) . . . .
C91A N16H C26H C30 175(2) . . . .
N223 N16H C26H C30 -1(3) . . . .
C91A N16H C26H C25P -2(3) . . . .
N223 N16H C26H C25P -177.9(16) . . . .
C24H C25P C26H C30 4(3) . . . .
C24H C25P C26H N16H -179.3(19) . . . .
C22U C23Q C27 C42G 3(3) . . . .
N15A C23Q C27 C42G -179.7(14) . . . .
N214 C24P C27E C25E -177.4(16) . . . .
C2F C24P C27E C25E 15(3) . . . .
C75E C25E C27E C24P -2(3) . . . .
N32 N53 C27Y C19F -0.3(17) . . . .
C237 N53 C27Y C19F 175.4(13) 7_565 . . .
C142 C19F C27Y N53 0.0(17) . . . .
Tb3 O151 C28F O20O 24(3) . . . .
Tb3 O151 C28F C55D -153.8(12) . . . .
Tb6 O20O C28F O151 53(6) 2 . . .
Tb6 O20O C28F C55D -129(4) 2 . . .
Tb1 O7 C28X O4 -11.3(12) . . . .
Tb1 O7 C28X C20C 165.5(10) . . . .
Tb1 O4 C28X O7 11.5(12) . . . .
Tb1 O4 C28X C20C -165.4(10) . . . .
C20L C20C C28X O7 -1.6(19) . . . .
C17L C20C C28X O7 -173.5(11) . . . .
C20L C20C C28X O4 175.3(12) . . . .
C17L C20C C28X O4 3.3(18) . . . .
C20L C20C C28X Tb1 95(4) . . . .
C17L C20C C28X Tb1 -77(4) . . . .
Tb7 O118 C29 O20F 8(2) 2_556 . . .
Tb7 O118 C29 C75E -163.1(17) 2_556 . . .
Tb7 O20F C29 O118 -8(2) 2_556 . . .
Tb7 O20F C29 C75E 163.8(18) 2_556 . . .
C44T C17C C29D C23F 3(3) . . . .
C208 C17C C29D C23F -176.1(17) . . . .
C29U C23F C29D C17C -1(3) . . . .
C130 C25R C29K C106 0(4) . . . .
C29D C23F C29U C97E -2(3) . . . .
C29D C23F C29U N263 179.3(16) . . . .
C23E N263 C29U C23F -1(3) . . . .
N124 N263 C29U C23F -178.8(15) . . . .
C23E N263 C29U C97E -179.5(17) . . . .
N124 N263 C29U C97E 3(2) . . . .
N16H C26H C30 C30F -179(2) . . . .
C25P C26H C30 C30F -3(4) . . . .
C26H C30 C30F C55D 4(4) . . . .
C24P C2F C30M C75E 0(3) . . . .
C34D C16D C30Y C17J 4(3) . . . .
N17 C16D C30Y C17J -179.5(15) . . . .
C220 C17J C30Y C16D -1(3) . . . .
N264 N22 C32T C37O 1(2) . . . .
C26K N22 C32T C37O -176.4(17) . . . .
C30Y C16D C34D C35 -4(4) . . . .
N17 C16D C34D C35 178(2) . . . .
C16D C34D C35 C220 2(5) . . . .
C119 C17O C37 C22S -0.2(17) . . . .
C119 C17O C37 C11 179.6(11) . . . .
C50K C22S C37 C17O 1.1(18) . . . .
C50K C22S C37 C11 -178.7(11) . . . .
O5 C11 C37 C17O 13.6(17) . . . .
O1 C11 C37 C17O -167.1(11) . . . .
O5 C11 C37 C22S -166.6(11) . . . .
O1 C11 C37 C22S 12.8(16) . . . .
N22 C32T C37O C97 -2(2) . . . .
C19T C13X C37R C243 0(3) . . . .
N47 N19 C38F C183 -0.1(16) . . . .
N47 N19 C38F C67 -179.9(11) . . . .
C154 C36P C39 C111 -1(2) . . . .
C134 C36P C39 C111 -176.9(12) . . . .
C20F C24M C40W C173 -6(2) . . . .
C21S C17 C42G C27 0(3) . . . .
C16R C17 C42G C27 -171.8(15) . . . .
C23Q C27 C42G C17 -3(3) . . . .
C29D C17C C44T C97E -1(3) . . . .
C208 C17C C44T C97E 177.8(18) . . . .
Tb2 O8 C49 O27 10.8(12) . . . .
Tb2 O8 C49 C68 -165.4(10) . . . .
Tb2 O27 C49 O8 -10.5(12) . . . .
Tb2 O27 C49 C68 165.6(10) . . . .
C37 C22S C50K C69 -0.4(19) . . . .
C21V N29 C52 C137 -8(2) . . . .
N108 N29 C52 C137 178.4(12) . . . .
C21V N29 C52 C157 175.7(16) . . . .
N108 N29 C52 C157 2(2) . . . .
C58 C43 C55 C93 -0.2(19) . . . .
C30 C30F C55D C24H -7(4) . . . .
C30 C30F C55D C28F -177.9(18) . . . .
C25P C24H C55D C30F 9(4) . . . .
C25P C24H C55D C28F 179.1(19) . . . .
O151 C28F C55D C30F -19(3) . . . .
O20O C28F C55D C30F 163(2) . . . .
O151 C28F C55D C24H 169.2(19) . . . .
O20O C28F C55D C24H -9(3) . . . .
C55 C43 C58 C207 0.7(19) . . . .
C55 C43 C58 N59 -180.0(11) . . . .
C20E N59 C58 C43 179.8(14) . . . .
N26 N59 C58 C43 3.5(18) . . . .
C20E N59 C58 C207 -1(2) . . . .
N26 N59 C58 C207 -177.2(11) . . . .
N214 C23 C59T C176 1(2) . . . .
N17 C22F C61D C10W -2(2) . . . .
N18 C10W C61D C22F 1(2) . . . .
C17X C10W C61D C22F -178.3(17) . . . .
C184 C30S C62 C247 1(3) . . . .
C184 C30S C62 N110 -176.4(16) . . . .
C26D N110 C62 C30S -2(3) . . . .
N87 N110 C62 C30S -179.3(15) . . . .
C26D N110 C62 C247 179.8(16) . . . .
N87 N110 C62 C247 3(2) . . . .
N19 C38F C67 C123 1.8(18) . . . .
C183 C38F C67 C123 -178.1(14) . . . .
N19 C38F C67 C125 177.0(12) . . . .
C183 C38F C67 C125 -3(2) . . . .
O8 C49 C68 C117 178.4(12) . . . .
O27 C49 C68 C117 2.3(19) . . . .
Tb2 C49 C68 C117 102(4) . . . .
O8 C49 C68 C115 0.9(19) . . . .
O27 C49 C68 C115 -175.3(12) . . . .
Tb2 C49 C68 C115 -75(4) . . . .
C22S C50K C69 C119 -1.2(18) . . . .
C22S C50K C69 N24 -178.7(11) . . . .
C206 N24 C69 C50K 3(2) . . . .
N16 N24 C69 C50K -175.7(11) . . . .
C206 N24 C69 C119 -174.6(13) . . . .
N16 N24 C69 C119 6.9(17) . . . .
N46 N66 C73 C230 -2.1(15) . . . .
N46 N66 C73 C190 179.0(10) . . . .
C185 C26 C73F C25S 3(3) . . . .
C280 C25S C73F C26 -3(3) . . . .
C18Z C25S C73F C26 -178.4(17) . . . .
C27E C25E C75E C30M -13(4) . . . .
C27E C25E C75E C29 -177.1(18) . . . .
C2F C30M C75E C25E 14(4) . . . .
C2F C30M C75E C29 177.1(19) . . . .
O118 C29 C75E C25E -4(3) . . . .
O20F C29 C75E C25E -175(2) . . . .
Tb7 C29 C75E C25E -79(6) 2_556 . . .
O118 C29 C75E C30M -169.6(19) . . . .
O20F C29 C75E C30M 19(3) . . . .
Tb7 C29 C75E C30M 116(6) 2_556 . . .
N57 N195 C77 C250 0.6(15) . . . .
N57 N195 C77 C259 178.2(11) . . . .
C117 C20M C78 C180 1(2) . . . .
C117 C20M C78 N35 -178.6(12) . . . .
C275 N35 C78 C180 8(2) . . . .
N72 N35 C78 C180 -165.5(12) . . . .
C275 N35 C78 C20M -172.0(14) . . . .
N72 N35 C78 C20M 14.1(17) . . . .
N263 C23E C78D C148 0(2) . . . .
C156 C51 C79 C190 -1.0(18) . . . .
C85 C51 C79 C190 -178.5(11) . . . .
C103 N71 C82 C227 -170.8(14) . . . .
N42 N71 C82 C227 11.8(17) . . . .
C103 N71 C82 C109 13.1(19) . . . .
N42 N71 C82 C109 -164.3(10) . . . .
N24 N16 C83 C140 -1.1(15) . . . .
N24 N16 C83 C171 -177.8(11) . . . .
Tb3 O2 C84 O20R 99.4(15) . . . .
Tb3 O2 C84 C96 -80.7(14) . . . .
Tb6 O20R C84 O2 -60(2) 2 . . .
Tb6 O20R C84 C96 120.1(14) 2 . . .
N59 N26 C85 C17F -1.6(15) . . . .
N59 N26 C85 C51 179.3(11) . . . .
C20E C17F C85 N26 0.8(18) . . . .
C20E C17F C85 C51 179.8(14) . . . .
C156 C51 C85 N26 5(2) . . . .
C79 C51 C85 N26 -177.1(12) . . . .
C156 C51 C85 C17F -173.5(14) . . . .
C79 C51 C85 C17F 4(2) . . . .
C216 C27M C91A N16H -5(2) . . . .
N223 N16H C91A C27M 2(2) . . . .
C26H N16H C91A C27M -174.0(16) . . . .
C43 C55 C93 C149 0.6(18) . . . .
C43 C55 C93 C136 177.9(11) . . . .
N29 N108 C94 C20 -1.6(18) . . . .
N29 N108 C94 C188 178.6(13) . . . .
C21V C20 C94 N108 0(2) . . . .
C21V C20 C94 C188 179.5(16) . . . .
N110 N87 C95 C22K -1.0(19) . . . .
N110 N87 C95 C170 178.3(14) . . . .
C26D C22K C95 N87 -1(2) . . . .
C26D C22K C95 C170 179.9(16) . . . .
C137 C40 C96 C192 0(2) . . . .
C137 C40 C96 C84 178.2(12) . . . .
O2 C84 C96 C192 156.6(13) . . . .
O20R C84 C96 C192 -23(2) . . . .
O2 C84 C96 C40 -21.3(19) . . . .
O20R C84 C96 C40 158.6(12) . . . .
N22 N264 C97 C37O -3(2) . . . .
N22 N264 C97 C205 179.4(15) . . . .
C32T C37O C97 N264 3(2) . . . .
C32T C37O C97 C205 -179.1(16) . . . .
C17C C44T C97E C29U -2(3) . . . .
C23F C29U C97E C44T 4(3) . . . .
N263 C29U C97E C44T -177.6(17) . . . .
Tb2 O54 C98 O126 -10.8(13) 8_564 . . .
Tb2 O54 C98 C20F 171.2(10) 8_564 . . .
Tb2 O126 C98 O54 10.5(13) 8_564 . . .
Tb2 O126 C98 C20F -171.6(11) 8_564 . . .
C24M C20F C98 O54 0(2) . . . .
C219 C20F C98 O54 -176.5(12) . . . .
C24M C20F C98 O126 -178.3(14) . . . .
C219 C20F C98 O126 6(2) . . . .
N35 N72 C99 C20B -0.8(15) . . . .
N35 N72 C99 C204 -177.8(11) . . . .
C275 C20B C99 N72 0.6(18) . . . .
C275 C20B C99 C204 176.9(15) . . . .
N89 C20T C99L C133 -1.6(16) . . . .
Tb6 O122 C102 O210 1.1(17) . . . .
Tb6 O122 C102 C19T -174.1(15) . . . .
Tb6 O210 C102 O122 -1.1(18) . . . .
Tb6 O210 C102 C19T 174.3(13) . . . .
C13X C19T C102 O122 171.0(16) . . . .
C19H C19T C102 O122 -5(3) . . . .
C13X C19T C102 O210 -4(2) . . . .
C19H C19T C102 O210 -179.9(16) . . . .
N42 N71 C103 C169 -1.7(15) . . . .
C82 N71 C103 C169 -179.1(12) . . . .
C25R C29K C106 C198 2(4) . . . .
C25R C29K C106 C226 179(2) . . . .
C141 C92 C109 C82 -1.8(19) . . . .
C227 C82 C109 C92 0.8(19) . . . .
N71 C82 C109 C92 176.8(11) . . . .
C36P C39 C111 C120 0(2) . . . .
C117 C68 C115 C180 -2(2) . . . .
C49 C68 C115 C180 175.5(12) . . . .
C115 C68 C117 C20M 3(2) . . . .
C49 C68 C117 C20M -174.8(12) . . . .
C78 C20M C117 C68 -2(2) . . . .
C37 C17O C119 C69 -1.4(18) . . . .
C50K C69 C119 C17O 2.1(17) . . . .
N24 C69 C119 C17O 179.5(11) . . . .
C39 C111 C120 C257 -1(2) . . . .
C39 C111 C120 N15 -178.3(12) . . . .
C215 N15 C120 C111 168.4(15) . . . .
N75 N15 C120 C111 -10.1(18) . . . .
C215 N15 C120 C257 -9(2) . . . .
N75 N15 C120 C257 172.2(12) . . . .
C125 C67 C123 C259 1(2) . . . .
C38F C67 C123 C259 176.9(12) . . . .
C123 C67 C125 C165 1(2) . . . .
C38F C67 C125 C165 -174.2(12) . . . .
C29K C25R C130 C241 -2(3) . . . .
C29K C25R C130 N61 -180(2) . . . .
N112 N61 C130 C241 -167.3(14) . . . .
C24X N61 C130 C241 10(3) . . . .
N112 N61 C130 C25R 11(2) . . . .
C24X N61 C130 C25R -171.6(19) . . . .
C197 C20A C132 C272 1(2) . . . .
C197 C20A C132 N57 177.1(13) . . . .
C181 N57 C132 C20A 17(2) . . . .
N195 N57 C132 C20A -161.4(12) . . . .
C181 N57 C132 C272 -167.6(15) . . . .
N195 N57 C132 C272 14.5(18) . . . .
N89 N81 C133 C99L 0.1(15) . . . .
N89 N81 C133 C158 -179.1(11) . . . .
C20T C99L C133 N81 0.9(17) . . . .
C20T C99L C133 C158 -180.0(14) . . . .
Tb3 O14 C134 O3 -64(2) . . . .
Tb3 O14 C134 C36P 116.0(15) . . . .
Tb4 O3 C134 O14 94.9(15) 7_554 . . .
Tb4 O3 C134 C36P -85.1(14) 7_554 . . .
C154 C36P C134 O14 161.4(13) . . . .
C39 C36P C134 O14 -22.5(19) . . . .
C154 C36P C134 O3 -18.6(19) . . . .
C39 C36P C134 O3 157.5(12) . . . .
N15A N221 C135 C17V -1.7(18) . . . .
N15A N221 C135 C238 180.0(13) . . . .
C22D C17V C135 N221 2(2) . . . .
C22D C17V C135 C238 -179.5(15) . . . .
Tb1 O23 C136 O10 67(3) . . . .
Tb1 O23 C136 C93 -112(2) . . . .
Tb5 O10 C136 O23 -90.6(16) 7_565 . . .
Tb5 O10 C136 C93 88.6(13) 7_565 . . .
C149 C93 C136 O23 -164.9(12) . . . .
C55 C93 C136 O23 17.8(18) . . . .
C149 C93 C136 O10 15.9(18) . . . .
C55 C93 C136 O10 -161.4(12) . . . .
C157 C52 C137 C40 -1(2) . . . .
N29 C52 C137 C40 -176.7(12) . . . .
C96 C40 C137 C52 -0.2(19) . . . .
Tb7 O182 C138 O9 82(3) . . . .
Tb7 O182 C138 C260 -96(3) . . . .
Tb2 O9 C138 O182 -87.6(15) . . . .
Tb2 O9 C138 C260 90.9(12) . . . .
N16 C83 C140 C206 1.0(19) . . . .
C171 C83 C140 C206 177.2(14) . . . .
C109 C92 C141 C114 2(2) . . . .
C109 C92 C141 C21E -172.3(12) . . . .
C227 C114 C141 C92 -1(2) . . . .
C227 C114 C141 C21E 173.2(13) . . . .
O12 C21E C141 C92 2.9(18) . . . .
O139 C21E C141 C92 -179.1(12) . . . .
Tb1 C21E C141 C92 77(5) 8_564 . . .
O12 C21E C141 C114 -171.4(12) . . . .
O139 C21E C141 C114 7(2) . . . .
Tb1 C21E C141 C114 -98(5) 8_564 . . .
N53 N32 C142 C19F -0.5(14) . . . .
N53 N32 C142 C86 178.5(10) . . . .
C27Y C19F C142 N32 0.3(16) . . . .
C27Y C19F C142 C86 -178.4(14) . . . .
C156 C86 C142 N32 -175.6(12) . . . .
C179 C86 C142 N32 6.5(17) . . . .
C156 C86 C142 C19F 3(2) . . . .
C179 C86 C142 C19F -174.8(14) . . . .
Tb4 O44 C144 O80 0.2(15) . . . .
Tb4 O44 C144 C220 -176.5(12) . . . .
Tb4 O80 C144 O44 -0.2(14) . . . .
Tb4 O80 C144 C220 176.5(13) . . . .
C6 C18O C147 C246 3(2) . . . .
C6 C18O C147 N89 -178.4(12) . . . .
C20T N89 C147 C246 -2(2) . . . .
N81 N89 C147 C246 174.3(12) . . . .
C20T N89 C147 C18O 179.2(14) . . . .
N81 N89 C147 C18O -4.7(18) . . . .
N263 N124 C148 C78D 0.9(17) . . . .
N263 N124 C148 C251 -179.7(12) . . . .
C23E C78D C148 N124 0(2) . . . .
C23E C78D C148 C251 -179.8(16) . . . .
C55 C93 C149 C207 -2(2) . . . .
C136 C93 C149 C207 -179.0(12) . . . .
C188 C107 C150 C199 0(2) . . . .
C188 C107 C150 C194 -178.0(13) . . . .
C39 C36P C154 C257 3(2) . . . .
C134 C36P C154 C257 179.0(13) . . . .
C179 C86 C156 C51 -2.5(18) . . . .
C142 C86 C156 C51 179.6(11) . . . .
C79 C51 C156 C86 1.5(19) . . . .
C85 C51 C156 C86 179.0(12) . . . .
C137 C52 C157 C192 2(2) . . . .
N29 C52 C157 C192 177.6(13) . . . .
C171 C116 C158 C160 4.5(19) . . . .
C171 C116 C158 C133 -176.5(12) . . . .
N81 C133 C158 C116 -176.1(12) . . . .
C99L C133 C158 C116 5(2) . . . .
N81 C133 C158 C160 2.9(18) . . . .
C99L C133 C158 C160 -176.2(14) . . . .
C116 C158 C160 C225 -2(2) . . . .
C133 C158 C160 C225 178.6(12) . . . .
C258 N104 C163 C274 -170.8(15) . . . .
N63 N104 C163 C274 8.0(19) . . . .
C258 N104 C163 C254 7(2) . . . .
N63 N104 C163 C254 -174.0(12) . . . .
N15 N75 C164 C267 -1.6(17) . . . .
N15 N75 C164 C143 178.1(13) . . . .
C196 C143 C164 N75 -4(2) . . . .
C191 C143 C164 N75 179.1(13) . . . .
C196 C143 C164 C267 175.9(17) . . . .
C191 C143 C164 C267 -1(2) . . . .
C67 C125 C165 C213 -4(2) . . . .
C67 C125 C165 C240 177.5(13) . . . .
N71 C103 C169 C25G 1.2(15) . . . .
N42 C25G C169 C103 -0.4(16) . . . .
C225 C25G C169 C103 -178.7(13) . . . .
C242 C127 C170 C231 -2(2) . . . .
C242 C127 C170 C95 178.0(14) . . . .
N87 C95 C170 C231 -8(2) . . . .
C22K C95 C170 C231 171.0(17) . . . .
N87 C95 C170 C127 172.2(14) . . . .
C22K C95 C170 C127 -9(3) . . . .
C158 C116 C171 C48X -5(2) . . . .
C158 C116 C171 C83 176.0(12) . . . .
C225 C48X C171 C116 2(2) . . . .
C225 C48X C171 C83 -178.3(12) . . . .
N16 C83 C171 C116 -1(2) . . . .
C140 C83 C171 C116 -176.6(15) . . . .
N16 C83 C171 C48X 179.9(12) . . . .
C140 C83 C171 C48X 4(2) . . . .
C24M C40W C173 C244 2(2) . . . .
C24M C40W C173 N46 179.9(14) . . . .
C203 N46 C173 C40W 14(2) . . . .
N66 N46 C173 C40W -162.7(13) . . . .
C203 N46 C173 C244 -168.1(15) . . . .
N66 N46 C173 C244 14.8(19) . . . .
N214 N271 C176 C59T -1(2) . . . .
N214 N271 C176 C242 -178.5(13) . . . .
C23 C59T C176 N271 0(2) . . . .
C23 C59T C176 C242 177.0(16) . . . .
Tb5 O152 C177 O33V -7.6(14) . . . .
Tb5 O152 C177 C236 167.6(10) . . . .
Tb5 O33V C177 O152 7.4(13) . . . .
Tb5 O33V C177 C236 -167.7(11) . . . .
C156 C86 C179 C190 3.1(18) . . . .
C142 C86 C179 C190 -178.9(11) . . . .
C20M C78 C180 C115 0(2) . . . .
N35 C78 C180 C115 179.2(12) . . . .
C68 C115 C180 C78 1(2) . . . .
N195 N57 C181 C250 -0.8(17) . . . .
C132 N57 C181 C250 -178.8(13) . . . .
N47 C18S C183 C38F 2.2(17) . . . .
N19 C38F C183 C18S -1.3(17) . . . .
C67 C38F C183 C18S 178.5(14) . . . .
C62 C30S C184 C276 -2(3) . . . .
C24R N113 C185 C249 -165.6(17) . . . .
N202 N113 C185 C249 14(2) . . . .
C24R N113 C185 C26 11(3) . . . .
N202 N113 C185 C26 -169.5(14) . . . .
C73F C26 C185 C249 -3(3) . . . .
C73F C26 C185 N113 -179.3(15) . . . .
C255 C131 C186 C251 -1(2) . . . .
C229 C131 C186 C251 173.7(13) . . . .
C238 C145 C188 C107 0(2) 8_554 . . .
C238 C145 C188 C94 174.9(14) 8_554 . . .
C150 C107 C188 C145 -1(2) . . . .
C150 C107 C188 C94 -175.5(13) . . . .
N108 C94 C188 C145 173.4(14) . . . .
C20 C94 C188 C145 -6(2) . . . .
N108 C94 C188 C107 -12(2) . . . .
C20 C94 C188 C107 168.3(17) . . . .
Tb5 O234 C189 O167 -14.1(17) 2 . . .
Tb5 O234 C189 C232 168.1(11) 2 . . .
Tb5 O167 C189 O234 13.1(16) 2 . . .
Tb5 O167 C189 C232 -169.1(12) 2 . . .
C51 C79 C190 C179 1.6(18) . . . .
C51 C79 C190 C73 179.7(11) . . . .
C86 C179 C190 C79 -2.6(18) . . . .
C86 C179 C190 C73 179.2(11) . . . .
N66 C73 C190 C79 167.1(12) . . . .
C230 C73 C190 C79 -11(2) . . . .
N66 C73 C190 C179 -14.8(17) . . . .
C230 C73 C190 C179 166.6(14) . . . .
C196 C143 C191 C279 0(2) . . . .
C164 C143 C191 C279 177.1(13) . . . .
C52 C157 C192 C96 -1(2) . . . .
C40 C96 C192 C157 1(2) . . . .
C84 C96 C192 C157 -177.3(13) . . . .
N61 N112 C194 C19 2.3(18) . . . .
N61 N112 C194 C150 178.6(12) . . . .
C24X C19 C194 N112 -1(2) . . . .
C24X C19 C194 C150 -177.2(16) . . . .
C107 C150 C194 N112 175.0(13) . . . .
C199 C150 C194 N112 -3(2) . . . .
C107 C150 C194 C19 -9(3) . . . .
C199 C150 C194 C19 172.2(17) . . . .
C191 C143 C196 C17X 1(2) . . . .
C164 C143 C196 C17X -176.4(14) . . . .
C19M C17X C196 C143 -1(2) . . . .
C10W C17X C196 C143 176.5(14) . . . .
C132 C20A C197 C232 -4(2) . . . .
C29K C106 C198 C241 -3(3) . . . .
C226 C106 C198 C241 -179.5(17) . . . .
C107 C150 C199 C238 1(2) . . . 8_554
C194 C150 C199 C238 179.2(13) . . . 8_554
N66 N46 C203 C230 0.1(18) . . . .
C173 N46 C203 C230 -177.3(14) . . . .
C242 C187 C204 C231 1(2) . . . .
C242 C187 C204 C99 178.7(13) . . . .
N72 C99 C204 C187 -7.8(19) . . . .
C20B C99 C204 C187 176.1(15) . . . .
N72 C99 C204 C231 169.7(13) . . . .
C20B C99 C204 C231 -6(3) . . . .
N264 C97 C205 C255 164.4(16) . . . .
C37O C97 C205 C255 -13(3) . . . .
N264 C97 C205 C228 -20(2) . . . .
C37O C97 C205 C228 163.1(16) . . . .
N16 N24 C206 C140 -0.4(18) . . . .
C69 N24 C206 C140 -179.0(13) . . . .
C83 C140 C206 N24 -0.3(19) . . . .
C93 C149 C207 C58 2(2) . . . .
C43 C58 C207 C149 -2(2) . . . .
N59 C58 C207 C149 179.0(12) . . . .
Tb3 O64 C208 O30 -0.3(14) . . . .
Tb3 O64 C208 C17C -178.8(12) . . . .
Tb3 O30 C208 O64 0.3(14) . . . .
Tb3 O30 C208 C17C 178.9(11) . . . .
C29D C17C C208 O64 170.0(16) . . . .
C44T C17C C208 O64 -9(2) . . . .
C29D C17C C208 O30 -9(2) . . . .
C44T C17C C208 O30 172.5(15) . . . .
C19T C19H C212 C243 0(3) . . . .
C125 C165 C213 C259 5(2) . . . .
C240 C165 C213 C259 -176.9(13) . . . .
N75 N15 C215 C267 0(2) . . . .
C120 N15 C215 C267 -178.2(14) . . . .
N16H N223 C216 C27M -5.0(17) . . . .
N16H N223 C216 C279 -179.9(13) . . . 8
C91A C27M C216 N223 7(2) . . . .
C91A C27M C216 C279 -179.2(16) . . . 8
C24M C20F C219 C244 -2(2) . . . .
C98 C20F C219 C244 173.8(12) . . . .
C34D C35 C220 C17J 1(4) . . . .
C34D C35 C220 C144 178(2) . . . .
C30Y C17J C220 C35 -2(3) . . . .
C30Y C17J C220 C144 -178.8(16) . . . .
O44 C144 C220 C35 -174(2) . . . .
O80 C144 C220 C35 10(3) . . . .
O44 C144 C220 C17J 3(2) . . . .
O80 C144 C220 C17J -173.1(16) . . . .
C158 C160 C225 C48X 0(2) . . . .
C158 C160 C225 C25G -178.3(12) . . . .
C171 C48X C225 C160 0.0(19) . . . .
C171 C48X C225 C25G 178.3(12) . . . .
N42 C25G C225 C160 -12.4(18) . . . .
C169 C25G C225 C160 165.9(13) . . . .
N42 C25G C225 C48X 169.3(12) . . . .
C169 C25G C225 C48X -12(2) . . . .
Tb7 O162 C226 O222 6(2) 2 . . .
Tb7 O162 C226 C106 -167.6(17) 2 . . .
Tb7 O222 C226 O162 -6(2) 2 . . .
Tb7 O222 C226 C106 167.5(19) 2 . . .
C29K C106 C226 O162 -178(2) . . . .
C198 C106 C226 O162 -1(3) . . . .
C29K C106 C226 O222 8(3) . . . .
C198 C106 C226 O222 -175(2) . . . .
C29K C106 C226 Tb7 111(6) . . . 2
C198 C106 C226 Tb7 -73(6) . . . 2
C109 C82 C227 C114 0(2) . . . .
N71 C82 C227 C114 -175.7(12) . . . .
C141 C114 C227 C82 0(2) . . . .
C255 C205 C228 C251 -1(2) . . . .
C97 C205 C228 C251 -176.8(13) . . . .
N113 N202 C229 C266 0.4(19) . . . .
N113 N202 C229 C131 -178.0(13) . . . .
C255 C131 C229 N202 175.9(15) . . . .
C186 C131 C229 N202 2(2) . . . .
C255 C131 C229 C266 -2(2) . . . .
C186 C131 C229 C266 -176.6(16) . . . .
N46 C203 C230 C73 -1.3(18) . . . .
N66 C73 C230 C203 2.1(17) . . . .
C190 C73 C230 C203 -179.2(14) . . . .
C127 C170 C231 C204 2(2) . . . .
C95 C170 C231 C204 -177.3(14) . . . .
C187 C204 C231 C170 -2(2) . . . .
C99 C204 C231 C170 -179.5(14) . . . .
C20A C197 C232 C26U 4(2) . . . .
C20A C197 C232 C189 -168.9(14) . . . .
C272 C26U C232 C197 -2(2) . . . .
C272 C26U C232 C189 171.0(15) . . . .
O234 C189 C232 C197 5(2) . . . .
O167 C189 C232 C197 -172.9(14) . . . .
Tb5 C189 C232 C197 75(6) 2 . . .
O234 C189 C232 C26U -168.2(16) . . . .
O167 C189 C232 C26U 14(2) . . . .
Tb5 C189 C232 C26U -98(6) 2 . . .
C246 C209 C236 C6 2(2) . . . .
C246 C209 C236 C177 -174.5(12) . . . .
C18O C6 C236 C209 -2(2) . . . .
C18O C6 C236 C177 175.0(12) . . . .
O152 C177 C236 C209 1(2) . . . .
O33V C177 C236 C209 176.3(13) . . . .
Tb5 C177 C236 C209 77(5) . . . .
O152 C177 C236 C6 -175.6(13) . . . .
O33V C177 C236 C6 -1(2) . . . .
Tb5 C177 C236 C6 -100(5) . . . .
C20L C19P C237 C18I -1(2) . . . .
C20L C19P C237 N53 179.0(12) . . . 7_565
C17L C18I C237 C19P 0.4(19) . . . .
C17L C18I C237 N53 179.9(11) . . . 7_565
N221 C135 C238 C145 160.4(15) . . . 8
C17V C135 C238 C145 -18(2) . . . 8
N221 C135 C238 C199 -20(2) . . . 8
C17V C135 C238 C199 161.6(15) . . . 8
N104 N63 C240 C239 0.6(17) . . . .
N104 N63 C240 C165 -175.2(13) . . . .
C258 C239 C240 N63 -1(2) . . . .
C258 C239 C240 C165 174.8(16) . . . .
C125 C165 C240 N63 -2(2) . . . .
C213 C165 C240 N63 179.1(13) . . . .
C125 C165 C240 C239 -177.2(16) . . . .
C213 C165 C240 C239 4(2) . . . .
C25R C130 C241 C198 1(3) . . . .
N61 C130 C241 C198 179.0(14) . . . .
C106 C198 C241 C130 1(2) . . . .
C204 C187 C242 C127 0(2) . . . .
C204 C187 C242 C176 -179.2(14) . . . .
C170 C127 C242 C187 1(2) . . . .
C170 C127 C242 C176 179.5(13) . . . .
N271 C176 C242 C187 12(2) . . . .
C59T C176 C242 C187 -164.3(17) . . . .
N271 C176 C242 C127 -166.4(15) . . . .
C59T C176 C242 C127 17(3) . . . .
C19H C212 C243 C37R 0(3) . . . .
C19H C212 C243 N47 -177.1(16) . . . .
C13X C37R C243 C212 0(2) . . . .
C13X C37R C243 N47 177.1(14) . . . .
N19 N47 C243 C212 1(2) . . . .
C18S N47 C243 C212 -178.6(16) . . . .
N19 N47 C243 C37R -176.0(13) . . . .
C18S N47 C243 C37R 4(2) . . . .
C20F C219 C244 C173 -1(2) . . . .
C40W C173 C244 C219 1(2) . . . .
N46 C173 C244 C219 -176.5(13) . . . .
C18O C147 C246 C209 -2(2) . . . .
N89 C147 C246 C209 179.0(12) . . . .
C236 C209 C246 C147 -1(2) . . . .
C30S C62 C247 C262 1(2) . . . .
N110 C62 C247 C262 178.8(14) . . . .
N113 C185 C249 C280 179.1(14) . . . .
C26 C185 C249 C280 3(2) . . . .
N57 C181 C250 C77 1.1(17) . . . .
N195 C77 C250 C181 -1.1(17) . . . .
C259 C77 C250 C181 -178.3(14) . . . .
C205 C228 C251 C186 -1(2) . . . .
C205 C228 C251 C148 175.6(13) . . . .
C131 C186 C251 C228 2(2) . . . .
C131 C186 C251 C148 -174.8(13) . . . .
N124 C148 C251 C228 5(2) . . . .
C78D C148 C251 C228 -175.8(16) . . . .
N124 C148 C251 C186 -178.7(13) . . . .
C78D C148 C251 C186 1(3) . . . .
C260 C128 C254 C163 1(2) . . . .
C274 C163 C254 C128 -1(2) . . . .
N104 C163 C254 C128 -179.2(12) . . . .
C228 C205 C255 C131 1(2) . . . .
C97 C205 C255 C131 177.6(14) . . . .
C186 C131 C255 C205 -1(2) . . . .
C229 C131 C255 C205 -175.3(14) . . . .
C36P C154 C257 C120 -4(2) . . . .
C111 C120 C257 C154 3(2) . . . .
N15 C120 C257 C154 -179.6(13) . . . .
C240 C239 C258 N104 0(2) . . . .
N63 N104 C258 C239 0(2) . . . .
C163 N104 C258 C239 179.0(15) . . . .
C67 C123 C259 C213 -1(2) . . . .
C67 C123 C259 C77 -179.4(12) . . . .
C165 C213 C259 C123 -2(2) . . . .
C165 C213 C259 C77 176.4(12) . . . .
N195 C77 C259 C123 -12.6(19) . . . .
C250 C77 C259 C123 164.5(15) . . . .
N195 C77 C259 C213 168.8(12) . . . .
C250 C77 C259 C213 -14(2) . . . .
C254 C128 C260 C60 -1(2) . . . .
C254 C128 C260 C138 -179.2(12) . . . .
C274 C60 C260 C128 1(2) . . . .
C274 C60 C260 C138 179.0(12) . . . .
O182 C138 C260 C128 -167.3(13) . . . .
O9 C138 C260 C128 14.2(18) . . . .
O182 C138 C260 C60 14.8(19) . . . .
O9 C138 C260 C60 -163.7(12) . . . .
C62 C247 C262 C276 -3(2) . . . .
N113 C24R C266 C229 0(2) . . . .
N202 C229 C266 C24R 0(2) . . . .
C131 C229 C266 C24R 178.0(16) . . . .
N15 C215 C267 C164 -1(2) . . . .
N75 C164 C267 C215 2(2) . . . .
C143 C164 C267 C215 -177.8(16) . . . .
C20A C132 C272 C26U 1(2) . . . .
N57 C132 C272 C26U -174.8(14) . . . .
C232 C26U C272 C132 -1(3) . . . .
C260 C60 C274 C163 -1(2) . . . .
C254 C163 C274 C60 1(2) . . . .
N104 C163 C274 C60 179.1(13) . . . .
C99 C20B C275 N35 -0.1(17) . . . .
N72 N35 C275 C20B -0.4(17) . . . .
C78 N35 C275 C20B -174.6(13) . . . .
C30S C184 C276 C262 0(3) . . . .
C30S C184 C276 C21F 178.9(17) . . . .
C247 C262 C276 C184 2(3) . . . .
C247 C262 C276 C21F -176.4(16) . . . .
O90 C21F C276 C184 159.5(17) . . . .
O31 C21F C276 C184 -18(3) . . . .
O90 C21F C276 C262 -22(3) . . . .
O31 C21F C276 C262 160.9(16) . . . .
C17X C19M C279 C191 0(2) . . . .
C17X C19M C279 C216 177.0(14) . . . 8_554
C143 C191 C279 C19M 0(2) . . . .
C143 C191 C279 C216 -177.2(13) . . . 8_554
C73F C25S C280 C249 3(3) . . . .
C18Z C25S C280 C249 178.2(16) . . . .
C185 C249 C280 C25S -3(2) . . . .
