#------------------------------------------------------------------------------
#$Date: 2026-03-04 12:43:24 +0100 (Wed 04 de Mar de 2026) $
#$Revision: 304768 $
#$URL: svn://www.crystallography.net/cod/cif/7/72/05/7720544.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_7720544
loop_
_publ_author_name
'Costa-Villén, Ernesto'
'Puigjaner, Cristina'
'Mayans, Júlia'
'Escuer, Albert'
_publ_section_title
;
 Dodecanuclear MnII-GdIII metallomacrocycles:
 magnetic and refrigerant responses.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1298
_journal_page_last               1305
_journal_paper_doi               10.1039/d5dt02886h
_journal_volume                  55
_journal_year                    2026
_chemical_formula_moiety         'C340 H424 Gd18 Mn18 N104 O232'
_chemical_formula_sum            'C340 H424 Gd18 Mn18 N104 O232'
_chemical_formula_weight         13499.23
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2019/1
_audit_update_record
;
2025-04-29 deposited with the CCDC.	2025-12-08 downloaded from the CCDC.
;
_cell_angle_alpha                97.262(2)
_cell_angle_beta                 104.428(2)
_cell_angle_gamma                90.817(2)
_cell_formula_units_Z            1
_cell_length_a                   21.8814(10)
_cell_length_b                   22.2623(9)
_cell_length_c                   35.8239(17)
_cell_measurement_reflns_used    9752
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.20
_cell_measurement_theta_min      2.37
_cell_volume                     16745.9(13)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX4'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0910
_diffrn_reflns_av_unetI/netI     0.0483
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       51
_diffrn_reflns_limit_l_min       -51
_diffrn_reflns_number            961752
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.669
_diffrn_reflns_theta_min         1.705
_diffrn_source                   microfocus
_exptl_absorpt_coefficient_mu    2.159
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.5059
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_description       prism
_exptl_crystal_F_000             6650
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Acetonitrile/ethanol/diethylether'
_exptl_crystal_size_max          0.324
_exptl_crystal_size_mid          0.211
_exptl_crystal_size_min          0.105
_refine_diff_density_max         3.338
_refine_diff_density_min         -2.584
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3243
_refine_ls_number_reflns         103058
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0763
_refine_ls_R_factor_gt           0.0540
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0555P)²+65.1147P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1328
_refine_ls_wR_factor_ref         0.1486
_reflns_Friedel_coverage         0.000
_reflns_number_gt                78595
_reflns_number_total             103058
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt02886h2.cif
_cod_data_source_block           mo_i06acb143_0m_a_sq_s
_cod_database_code               7720544
_shelx_shelxl_version_number     2019/1
_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, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
N1 N 0.6480(5) 0.8860(6) 0.8097(3) 0.1222(15) Uani 1 1 d . . . . .
O2 O 0.6392(4) 0.9049(4) 0.7781(2) 0.1222(15) Uani 1 1 d . . . . .
N2 N 0.75231(17) 1.12129(18) 1.14175(11) 0.0311(8) Uani 1 1 d . . . . .
N3 N 0.5317(2) 0.5913(3) 0.85529(16) 0.0575(14) Uani 1 1 d . . . . .
O3 O 0.6362(4) 0.9103(4) 0.8380(2) 0.1222(15) Uani 1 1 d . . . . .
O4 O 0.6709(4) 0.8348(5) 0.8146(2) 0.1222(15) Uani 1 1 d . . . . .
N4 N 0.1711(3) 0.4102(3) 0.29683(18) 0.0608(14) Uani 1 1 d . . . . .
N5 N -0.37911(19) -0.01136(18) 0.31790(12) 0.0397(10) Uani 1 1 d D . . . .
O6 O 0.5313(3) 0.6238(2) 0.82962(15) 0.0675(13) Uani 1 1 d . . . . .
O7 O 0.5593(3) 0.6100(5) 0.88961(19) 0.127(3) Uani 1 1 d . . . . .
O8 O 0.5011(2) 0.5405(2) 0.84699(12) 0.0549(11) Uani 1 1 d . . . . .
O10 O 0.71795(15) 1.08484(18) 1.11444(10) 0.0398(8) Uani 1 1 d . . . . .
O11 O 0.76176(15) 1.11064(16) 1.17560(9) 0.0356(7) Uani 1 1 d . . . . .
O12 O 0.77577(19) 1.16786(16) 1.13365(11) 0.0415(8) Uani 1 1 d . . . . .
C12 C 1.0180(5) 0.5515(4) 0.8593(3) 0.092(3) Uani 1 1 d . . . . .
H12A H 0.973243 0.540268 0.847458 0.139 Uiso 1 1 calc R U . . .
H12B H 1.032709 0.531097 0.882383 0.139 Uiso 1 1 calc R U . . .
H12F H 1.042688 0.538999 0.840479 0.139 Uiso 1 1 calc R U . . .
O14 O 0.1493(3) 0.4327(3) 0.26596(17) 0.0867(18) Uani 1 1 d . . . . .
O15 O 0.1909(2) 0.4453(2) 0.32855(14) 0.0615(12) Uani 1 1 d . . . . .
O16 O 0.1753(3) 0.3545(2) 0.29645(16) 0.0696(14) Uani 1 1 d . . . . .
O18 O -0.3469(4) -0.0109(9) 0.2944(3) 0.078(5) Uani 0.56(2) 1 d D . P A 1
O19 O -0.3675(4) -0.0493(5) 0.3440(4) 0.077(5) Uani 0.56(2) 1 d D . P A 1
O20 O -0.4270(7) 0.0200(9) 0.3176(5) 0.053(3) Uani 0.56(2) 1 d D . P A 1
O18D O -0.3491(6) 0.0232(5) 0.3016(4) 0.058(4) Uani 0.44(2) 1 d D . P A 2
O19D O -0.3626(4) -0.0652(3) 0.3196(3) 0.043(3) Uani 0.44(2) 1 d D . P A 2
O20D O -0.4287(9) 0.0060(9) 0.3271(8) 0.069(6) Uani 0.44(2) 1 d D . P A 2
O26 O 1.0254(2) 0.6122(2) 0.86965(15) 0.0676(13) Uani 1 1 d . . . . .
Mn2A Mn 0.12616(4) 0.32599(3) 0.54935(2) 0.03509(15) Uani 1 1 d . . . . .
Gd1A Gd 0.25358(2) 0.22108(2) 0.67755(2) 0.04345(7) Uani 1 1 d . . . . .
C1A C 0.2323(3) -0.0599(2) 0.63407(17) 0.0441(12) Uani 1 1 d . . . . .
H1AA H 0.187866 -0.073043 0.622672 0.066 Uiso 1 1 calc R U . . .
H1AB H 0.246159 -0.072413 0.660012 0.066 Uiso 1 1 calc R U . . .
H1AC H 0.258199 -0.078498 0.617455 0.066 Uiso 1 1 calc R U . . .
N1A N 0.1987(2) 0.23068(16) 0.60745(11) 0.0342(8) Uani 1 1 d . . . . .
O1A O 0.23901(18) 0.00504(15) 0.63713(10) 0.0400(8) Uani 1 1 d . . . . .
Mn1A Mn -0.26890(4) -0.07170(3) 0.30479(2) 0.03711(16) Uani 1 1 d . . . . .
Gd2A Gd 0.13724(2) 0.31267(2) 0.45388(2) 0.02713(4) Uani 1 1 d . . . . .
C2A C 0.2155(2) 0.0307(2) 0.60386(15) 0.0348(10) Uani 1 1 d . . . . .
N2A N 0.1882(2) 0.28990(17) 0.59883(12) 0.0381(9) Uani 1 1 d . . . . .
O2A O 0.23212(15) 0.12260(14) 0.64624(9) 0.0318(7) Uani 1 1 d . . . . .
Gd3A Gd -0.08457(2) 0.07652(2) 0.27580(2) 0.02712(4) Uani 1 1 d . . . . .
C3A C 0.1951(3) -0.0024(2) 0.56694(15) 0.0423(12) Uani 1 1 d . . . . .
H3AA H 0.197864 -0.045236 0.563494 0.051 Uiso 1 1 calc R U . . .
N3A N 0.2132(3) 0.38934(19) 0.62442(14) 0.0576(15) Uani 1 1 d . . . . .
H3AB H 0.224956 0.417977 0.644432 0.069 Uiso 1 1 calc R U . . .
O3A O 0.2460(3) 0.31833(17) 0.66258(11) 0.0647(14) Uani 1 1 d . . . . .
O4A O 0.14325(18) 0.38284(13) 0.50818(10) 0.0352(7) Uani 1 1 d . . . . .
C4A C 0.1709(3) 0.0278(2) 0.53534(15) 0.0475(14) Uani 1 1 d . . . . .
H4AA H 0.156811 0.005459 0.510091 0.057 Uiso 1 1 calc R U . . .
N4A N 0.1914(3) 0.40364(18) 0.58768(13) 0.0469(11) Uani 1 1 d . . . . .
O5A O 0.12674(19) 0.42354(16) 0.44202(11) 0.0422(8) Uani 1 1 d . . . . .
N5A N 0.07809(16) 0.22036(17) 0.41132(10) 0.0276(7) Uani 1 1 d . . . . .
C5A C 0.1671(3) 0.0897(2) 0.54020(14) 0.0402(11) Uani 1 1 d . . . . .
H5AA H 0.149844 0.109565 0.518226 0.048 Uiso 1 1 calc R U . . .
O6A O 0.05416(18) 0.24919(15) 0.55575(10) 0.0374(7) Uani 1 1 d . . . . .
C6A C 0.1881(2) 0.12420(19) 0.57704(13) 0.0314(9) Uani 1 1 d . . . . .
N6A N 0.08652(17) 0.21020(17) 0.37377(11) 0.0289(7) Uani 1 1 d . . . . .
O7A O 0.09056(15) 0.26522(14) 0.49429(9) 0.0315(6) Uani 1 1 d . . . . .
C7A C 0.2128(2) 0.09451(19) 0.60998(13) 0.0297(8) Uani 1 1 d . . . . .
N7A N 0.1319(2) 0.2541(2) 0.33120(11) 0.0385(9) Uani 1 1 d . . . . .
H7A H 0.158698 0.280127 0.326421 0.046 Uiso 1 1 calc R U . . .
O8A O 0.13752(17) 0.30615(16) 0.38971(10) 0.0393(8) Uani 1 1 d . . . . .
C8A C 0.1821(2) 0.18972(19) 0.57796(13) 0.0315(9) Uani 1 1 d . . . . .
H8AA H 0.163686 0.203459 0.553786 0.038 Uiso 1 1 calc R U . . .
N8A N 0.10162(19) 0.20754(19) 0.30336(11) 0.0333(8) Uani 1 1 d . . . . .
O9A O 0.01029(15) 0.11683(15) 0.27026(9) 0.0319(7) Uani 1 1 d . . . . .
C9A C 0.2163(3) 0.3297(2) 0.62945(16) 0.0479(14) Uani 1 1 d . . . . .
N9A N -0.13531(18) 0.00223(17) 0.30820(11) 0.0308(8) Uani 1 1 d . . . . .
O10A O -0.06520(17) 0.06353(18) 0.20711(10) 0.0415(8) Uani 1 1 d . . . . .
C10A C 0.2027(3) 0.4581(2) 0.58219(17) 0.0468(13) Uani 1 1 d . . . . .
H10C H 0.223233 0.486311 0.604092 0.056 Uiso 1 1 calc R U . . .
N10A N -0.19660(18) -0.02036(18) 0.28795(11) 0.0337(8) Uani 1 1 d . . . . .
O11A O 0.09876(15) 0.07761(16) 0.38339(10) 0.0367(7) Uani 1 1 d . . . . .
C11A C 0.1859(3) 0.4790(2) 0.54435(17) 0.0432(12) Uani 1 1 d . . . . .
N11A N -0.2714(2) -0.0189(2) 0.22981(13) 0.0457(12) Uani 1 1 d . . . . .
H11A H -0.288498 -0.001767 0.209079 0.055 Uiso 1 1 calc R U . . .
O12A O -0.00883(14) 0.06522(14) 0.33219(9) 0.0285(6) Uani 1 1 d . . . . .
C12A C 0.2024(3) 0.5401(2) 0.5428(2) 0.0550(15) Uani 1 1 d . . . . .
H12C H 0.221246 0.565681 0.566365 0.066 Uiso 1 1 calc R U . . .
N12A N -0.3019(2) -0.0664(2) 0.24016(13) 0.0449(11) Uani 1 1 d . . . . .
O13A O -0.18085(16) 0.03605(16) 0.24006(10) 0.0391(8) Uani 1 1 d . . . . .
C13A C 0.1919(3) 0.5635(2) 0.5083(2) 0.0571(16) Uani 1 1 d . . . . .
H13A H 0.202475 0.604941 0.507970 0.069 Uiso 1 1 calc R U . . .
N13A N 0.1319(3) 0.1877(3) 0.69248(16) 0.0576(13) Uani 1 1 d . . . . .
O14A O -0.31280(19) -0.15935(18) 0.28196(10) 0.0460(9) Uani 1 1 d . . . . .
C14A C 0.1655(3) 0.5260(2) 0.47366(18) 0.0442(12) Uani 1 1 d . . . . .
H14A H 0.158090 0.541638 0.449535 0.053 Uiso 1 1 calc R U . . .
N14A N 0.2349(2) 0.2360(2) 0.49478(16) 0.0559(14) Uani 1 1 d . . . . .
O15A O -0.3640(3) -0.2637(2) 0.28302(13) 0.0789(18) Uani 1 1 d . . . . .
N15A N -0.10638(19) 0.17739(18) 0.33251(12) 0.0344(8) Uani 1 1 d . . . . .
C15A C 0.1502(2) 0.4657(2) 0.47457(16) 0.0351(10) Uani 1 1 d . . . . .
O16A O 0.1379(3) 0.2237(2) 0.66906(13) 0.0663(13) Uani 1 1 d . . . . .
C16A C 0.1587(2) 0.44121(19) 0.50983(15) 0.0334(9) Uani 1 1 d . . . . .
O17A O 0.1818(2) 0.16625(19) 0.71121(11) 0.0479(9) Uani 1 1 d . . . . .
C17A C 0.1088(3) 0.4457(3) 0.40501(17) 0.0530(15) Uani 1 1 d . . . . .
H17A H 0.086432 0.413129 0.385107 0.080 Uiso 1 1 calc R U . . .
H17B H 0.146763 0.459560 0.398068 0.080 Uiso 1 1 calc R U . . .
H17C H 0.081110 0.479624 0.406641 0.080 Uiso 1 1 calc R U . . .
O18A O 0.0804(3) 0.1733(3) 0.69673(18) 0.0895(19) Uani 1 1 d . . . . .
C18A C 0.0396(3) 0.2390(3) 0.59166(16) 0.0482(13) Uani 1 1 d . . . . .
H18A H -0.006145 0.240423 0.588601 0.072 Uiso 1 1 calc R U . . .
H18B H 0.061340 0.270497 0.612582 0.072 Uiso 1 1 calc R U . . .
H18C H 0.053576 0.199127 0.598171 0.072 Uiso 1 1 calc R U . . .
O19A O 0.3284(2) 0.2195(2) 0.63758(13) 0.0560(11) Uani 1 1 d . . . . .
H19O H 0.327581 0.246375 0.622982 0.084 Uiso 1 1 calc R U . . .
C19A C 0.0272(2) 0.20898(19) 0.52321(14) 0.0308(9) Uani 1 1 d . . . . .
O20A O 0.2445(4) 0.2849(3) 0.73605(15) 0.102(2) Uani 1 1 d . . . . .
H20O H 0.248367 0.322323 0.735523 0.153 Uiso 1 1 calc R U . . .
C20A C -0.0167(2) 0.1628(2) 0.52231(15) 0.0351(10) Uani 1 1 d . . . . .
H20A H -0.029668 0.157097 0.545089 0.042 Uiso 1 1 calc R U . . .
O21A O 0.0522(3) 0.3776(2) 0.56241(19) 0.0746(15) Uani 1 1 d D . . . .
H21D H 0.031(4) 0.381(5) 0.5395(9) 0.112 Uiso 1 1 d D U . . .
H21E H 0.029(3) 0.392(4) 0.5772(18) 0.112 Uiso 1 1 d D U . . .
C21A C -0.0414(2) 0.1252(2) 0.48775(14) 0.0339(9) Uani 1 1 d . . . . .
H21A H -0.070678 0.092762 0.486716 0.041 Uiso 1 1 calc R U . . .
O22A O 0.22400(16) 0.28560(14) 0.51251(10) 0.0366(7) Uani 1 1 d . . . . .
C22A C -0.0230(2) 0.1352(2) 0.45488(14) 0.0323(9) Uani 1 1 d . . . . .
H22A H -0.041069 0.109814 0.431165 0.039 Uiso 1 1 calc R U . . .
O23A O 0.20431(18) 0.22272(17) 0.45959(13) 0.0518(10) Uani 1 1 d . . . . .
C23A C 0.0217(2) 0.1817(2) 0.45508(13) 0.0286(8) Uani 1 1 d . . . . .
O24A O 0.2721(3) 0.2029(2) 0.51205(19) 0.105(3) Uani 1 1 d . . . . .
C24A C 0.04785(19) 0.21961(18) 0.49033(13) 0.0264(8) Uani 1 1 d . . . . .
O25A O 0.23968(17) 0.35162(18) 0.45025(10) 0.0417(8) Uani 1 1 d . . . . .
H25O H 0.244548 0.353608 0.427906 0.063 Uiso 1 1 calc R U . . .
C25A C 0.03708(19) 0.18438(19) 0.41816(13) 0.0270(8) Uani 1 1 d . . . . .
H25A H 0.014317 0.156471 0.396756 0.032 Uiso 1 1 calc R U . . .
O26A O 0.1442(3) 0.0829(3) 0.31555(18) 0.0919(17) Uani 1 1 d . . . . .
H26A H 0.164598 0.108366 0.333896 0.138 Uiso 1 1 calc R U . . .
C60A C 0.1637(4) 0.0282(5) 0.3212(3) 0.0919(17) Uani 1 1 d . . . . .
H60A H 0.134610 0.007517 0.332835 0.138 Uiso 1 1 calc R U . . .
H60B H 0.206139 0.031520 0.338826 0.138 Uiso 1 1 calc R U . . .
H60C H 0.164707 0.004937 0.296305 0.138 Uiso 1 1 calc R U . . .
C26A C 0.1184(2) 0.2577(2) 0.36668(13) 0.0325(9) Uani 1 1 d . . . . .
O27A O -0.06021(14) 0.18111(14) 0.31732(9) 0.0300(6) Uani 1 1 d . . . . .
C27A C 0.1040(2) 0.2116(2) 0.26806(14) 0.0368(10) Uani 1 1 d . . . . .
H27A H 0.130268 0.243079 0.263829 0.044 Uiso 1 1 calc R U . . .
O28A O -0.14232(16) 0.13001(15) 0.32146(10) 0.0362(7) Uani 1 1 d . . . . .
C28A C 0.0690(2) 0.1710(2) 0.23477(13) 0.0342(9) Uani 1 1 d . . . . .
O29A O -0.1158(2) 0.2176(2) 0.35662(14) 0.0606(12) Uani 1 1 d . . . . .
C29A C 0.0776(3) 0.1804(3) 0.19816(15) 0.0444(12) Uani 1 1 d . . . . .
H29A H 0.109460 0.208772 0.196705 0.053 Uiso 1 1 calc R U . . .
O30A O -0.13891(15) 0.15486(15) 0.23922(9) 0.0330(7) Uani 1 1 d . . . . .
H30D H -0.170645 0.142156 0.221142 0.049 Uiso 1 1 calc R U . . .
C30A C 0.0401(3) 0.1489(3) 0.16459(14) 0.0445(12) Uani 1 1 d . . . . .
H30A H 0.047279 0.154638 0.140162 0.053 Uiso 1 1 calc R U . . .
O31A O -0.0519(3) -0.0237(2) 0.25823(16) 0.0738(12) Uani 1 1 d . . . . .
H31O H -0.081560 -0.050230 0.253068 0.111 Uiso 1 1 calc R U . . .
C31A C -0.0082(3) 0.1088(3) 0.16612(14) 0.0413(11) Uani 1 1 d . . . . .
H31A H -0.034708 0.087752 0.142861 0.050 Uiso 1 1 calc R U . . .
C32A C -0.0172(2) 0.0997(2) 0.20196(13) 0.0343(9) Uani 1 1 d . . . . .
C33A C 0.0219(2) 0.1287(2) 0.23726(12) 0.0300(9) Uani 1 1 d . . . . .
C34A C -0.1079(3) 0.0331(3) 0.17239(16) 0.0538(16) Uani 1 1 d . . . . .
H34A H -0.126864 0.063012 0.155670 0.081 Uiso 1 1 calc R U . . .
H34B H -0.141336 0.010619 0.179443 0.081 Uiso 1 1 calc R U . . .
H34C H -0.084757 0.004768 0.158424 0.081 Uiso 1 1 calc R U . . .
C35A C 0.1588(3) 0.0877(3) 0.4116(2) 0.0576(17) Uani 1 1 d . . . . .
H35A H 0.179026 0.048936 0.414502 0.086 Uiso 1 1 calc R U . . .
H35B H 0.152283 0.105503 0.436712 0.086 Uiso 1 1 calc R U . . .
H35C H 0.185887 0.115352 0.402912 0.086 Uiso 1 1 calc R U . . .
O35A O 0.02648(18) 0.33668(19) 0.43009(13) 0.0486(9) Uani 1 1 d . . . . .
H35O H 0.018650 0.328999 0.405756 0.073 Uiso 1 1 calc R U . . .
C36A C 0.0539(2) 0.0407(2) 0.39099(14) 0.0328(9) Uani 1 1 d . . . . .
C37A C 0.0627(2) 0.0139(2) 0.42460(15) 0.0414(12) Uani 1 1 d . . . . .
H37A H 0.101650 0.020321 0.443915 0.050 Uiso 1 1 calc R U . . .
C38A C 0.0143(3) -0.0226(2) 0.42997(15) 0.0425(12) Uani 1 1 d . . . . .
H38A H 0.019607 -0.040139 0.453347 0.051 Uiso 1 1 calc R U . . .
C39A C -0.0409(2) -0.0332(2) 0.40158(14) 0.0366(10) Uani 1 1 d . . . . .
H39A H -0.073145 -0.059351 0.405061 0.044 Uiso 1 1 calc R U . . .
C40A C -0.0510(2) -0.0058(2) 0.36698(12) 0.0299(9) Uani 1 1 d . . . . .
C41A C -0.0037(2) 0.03405(18) 0.36200(12) 0.0278(8) Uani 1 1 d . . . . .
C42A C -0.1125(2) -0.02053(19) 0.33951(13) 0.0297(9) Uani 1 1 d . . . . .
H42A H -0.138495 -0.050448 0.345586 0.036 Uiso 1 1 calc R U . . .
C43A C -0.2133(2) 0.0003(2) 0.25325(15) 0.0385(11) Uani 1 1 d . . . . .
C44A C -0.3499(3) -0.0928(3) 0.21464(17) 0.0516(15) Uani 1 1 d . . . . .
H44A H -0.364276 -0.076536 0.190870 0.062 Uiso 1 1 calc R U . . .
C45A C -0.3827(3) -0.1457(3) 0.2204(2) 0.0624(19) Uani 1 1 d . . . . .
C46A C -0.4357(4) -0.1701(4) 0.1907(3) 0.102(4) Uani 1 1 d . . . . .
H46A H -0.451534 -0.148463 0.169380 0.122 Uiso 1 1 calc R U . . .
C47A C -0.4649(5) -0.2244(5) 0.1920(3) 0.122(5) Uani 1 1 d . . . . .
H47A H -0.500850 -0.239401 0.171752 0.146 Uiso 1 1 calc R U . . .
C48A C -0.4432(4) -0.2572(5) 0.2220(3) 0.111(4) Uani 1 1 d . . . . .
H48A H -0.462695 -0.295496 0.222193 0.134 Uiso 1 1 calc R U . . .
C49A C -0.3923(4) -0.2338(4) 0.2521(2) 0.073(2) Uani 1 1 d . . . . .
C50A C -0.3614(3) -0.1779(3) 0.25181(17) 0.0505(14) Uani 1 1 d . . . . .
C51A C -0.3973(5) -0.3176(5) 0.2875(3) 0.119(5) Uani 1 1 d . . . . .
H51A H -0.403569 -0.346783 0.263853 0.178 Uiso 1 1 calc R U . . .
H51B H -0.438435 -0.307018 0.292021 0.178 Uiso 1 1 calc R U . . .
H51C H -0.372493 -0.335586 0.309738 0.178 Uiso 1 1 calc R U . . .
C52A C 0.3782(6) 0.1821(4) 0.6352(4) 0.118(4) Uani 1 1 d . . . . .
H52A H 0.368151 0.156686 0.609842 0.177 Uiso 1 1 calc R U . . .
H52B H 0.384665 0.156203 0.655904 0.177 Uiso 1 1 calc R U . . .
H52C H 0.416805 0.207058 0.638180 0.177 Uiso 1 1 calc R U . . .
C53A C 0.2887(3) 0.3857(3) 0.47810(17) 0.0527(15) Uani 1 1 d . . . . .
H53A H 0.329548 0.371157 0.475121 0.079 Uiso 1 1 calc R U . . .
H53B H 0.284663 0.381205 0.504244 0.079 Uiso 1 1 calc R U . . .
H53C H 0.286244 0.428542 0.474354 0.079 Uiso 1 1 calc R U . . .
C54A C -0.0296(4) 0.3249(5) 0.4425(4) 0.108(4) Uani 1 1 d . . . . .
H54A H -0.065712 0.341799 0.425614 0.162 Uiso 1 1 calc R U . . .
H54B H -0.024101 0.343733 0.469396 0.162 Uiso 1 1 calc R U . . .
H54C H -0.037105 0.281004 0.440823 0.162 Uiso 1 1 calc R U . . .
C56A C -0.1132(2) 0.2100(2) 0.23096(15) 0.0377(10) Uani 1 1 d . . . . .
H56A H -0.102215 0.202542 0.205916 0.057 Uiso 1 1 calc R U . . .
H56B H -0.075153 0.223966 0.251530 0.057 Uiso 1 1 calc R U . . .
H56C H -0.144558 0.241140 0.229804 0.057 Uiso 1 1 calc R U . . .
C57A C -0.0027(4) -0.0475(3) 0.2635(3) 0.0738(12) Uani 1 1 d . . . . .
H57A H -0.005805 -0.084194 0.275534 0.111 Uiso 1 1 calc R U . . .
H57B H 0.030420 -0.019552 0.280658 0.111 Uiso 1 1 calc R U . . .
H57C H 0.007769 -0.058452 0.238495 0.111 Uiso 1 1 calc R U . . .
C59A C 0.2496(6) 0.2750(4) 0.7709(2) 0.102(2) Uani 1 1 d . . . . .
H59A H 0.242731 0.312402 0.786618 0.153 Uiso 1 1 calc R U . . .
H59B H 0.218026 0.243528 0.771239 0.153 Uiso 1 1 calc R U . . .
H59C H 0.292010 0.261407 0.781724 0.153 Uiso 1 1 calc R U . . .
Mn3A Mn 0.06611(3) 0.13018(3) 0.32923(2) 0.03017(13) Uani 1 1 d . . . . .
Mn1B Mn 0.38999(3) 0.57955(3) 0.68839(2) 0.02995(13) Uani 1 1 d . . . . .
Gd3B Gd 0.59575(2) 0.43373(2) 0.72504(2) 0.02815(4) Uani 1 1 d . . . . .
C1B C 0.7423(2) 0.4253(3) 0.59623(16) 0.0420(11) Uani 1 1 d . . . . .
H1BA H 0.717868 0.406166 0.570594 0.063 Uiso 1 1 calc R U . . .
H1BB H 0.776444 0.399355 0.606605 0.063 Uiso 1 1 calc R U . . .
H1BC H 0.760221 0.464795 0.593808 0.063 Uiso 1 1 calc R U . . .
N1B N 0.51992(17) 0.50483(16) 0.68944(10) 0.0270(7) Uani 1 1 d . . . . .
O1B O 0.70150(15) 0.43366(15) 0.62217(9) 0.0311(6) Uani 1 1 d . . . . .
Mn2B Mn 0.41735(3) 0.82985(3) 0.53659(2) 0.03242(14) Uani 1 1 d . . . . .
Gd1B Gd 0.40609(2) 0.72903(2) 0.66917(2) 0.03194(5) Uani 1 1 d . . . . .
C2B C 0.6503(2) 0.4686(2) 0.61207(13) 0.0294(8) Uani 1 1 d . . . . .
N2B N 0.47374(18) 0.52767(16) 0.70778(11) 0.0297(7) Uani 1 1 d . . . . .
O2B O 0.62957(14) 0.44323(14) 0.66938(9) 0.0275(6) Uani 1 1 d . . . . .
Mn3B Mn 0.29094(3) 0.61656(3) 0.32348(2) 0.02906(13) Uani 1 1 d . . . . .
Gd2B Gd 0.32055(2) 0.80705(2) 0.44315(2) 0.02872(4) Uani 1 1 d . . . . .
C3B C 0.6350(2) 0.4950(2) 0.57822(13) 0.0333(9) Uani 1 1 d . . . . .
H3BA H 0.660755 0.489851 0.560348 0.040 Uiso 1 1 calc R U . . .
N3B N 0.4417(2) 0.52851(19) 0.76450(12) 0.0380(9) Uani 1 1 d . . . . .
H3BB H 0.439072 0.511993 0.785141 0.046 Uiso 1 1 calc R U . . .
O3B O 0.52566(16) 0.47486(15) 0.75818(9) 0.0335(7) Uani 1 1 d . . . . .
O4B O 0.37620(16) 0.67172(14) 0.71149(9) 0.0320(7) Uani 1 1 d . . . . .
C4B C 0.5816(2) 0.5291(2) 0.57060(14) 0.0358(10) Uani 1 1 d . . . . .
H4BA H 0.569575 0.545888 0.546884 0.043 Uiso 1 1 calc R U . . .
N4B N 0.4047(2) 0.57527(18) 0.75235(12) 0.0354(8) Uani 1 1 d . . . . .
O5B O 0.33255(18) 0.77902(15) 0.70926(10) 0.0394(8) Uani 1 1 d . . . . .
C5B C 0.5461(2) 0.5385(2) 0.59736(13) 0.0324(9) Uani 1 1 d . . . . .
H5BA H 0.510749 0.563215 0.592372 0.039 Uiso 1 1 calc R U . . .
N5B N 0.3995(2) 0.73563(16) 0.59824(11) 0.0318(8) Uani 1 1 d . . . . .
O6B O 0.37309(16) 0.51064(13) 0.63125(9) 0.0301(6) Uani 1 1 d . . . . .
C6B C 0.5613(2) 0.51194(18) 0.63220(12) 0.0267(8) Uani 1 1 d . . . . .
N6B N 0.4013(2) 0.79472(16) 0.58800(12) 0.0349(8) Uani 1 1 d . . . . .
O7B O 0.39057(16) 0.62880(13) 0.63912(9) 0.0313(6) Uani 1 1 d . . . . .
C7B C 0.6129(2) 0.47432(18) 0.63919(12) 0.0257(8) Uani 1 1 d . . . . .
N7B N 0.3998(3) 0.89491(19) 0.61241(13) 0.0494(12) Uani 1 1 d . . . . .
H7B H 0.405983 0.924529 0.631896 0.059 Uiso 1 1 calc R U . . .
O8B O 0.40513(19) 0.82613(15) 0.65330(10) 0.0424(8) Uani 1 1 d . . . . .
C8B C 0.5197(2) 0.52699(19) 0.65791(12) 0.0283(8) Uani 1 1 d . . . . .
H8BA H 0.489343 0.556224 0.650585 0.034 Uiso 1 1 calc R U . . .
N8B N 0.3877(2) 0.90688(18) 0.57446(13) 0.0415(10) Uani 1 1 d . . . . .
O9B O 0.36250(17) 0.88171(14) 0.49509(10) 0.0371(7) Uani 1 1 d . . . . .
C9B C 0.4830(2) 0.5089(2) 0.74268(13) 0.0324(9) Uani 1 1 d . . . . .
N9B N 0.34403(16) 0.71262(16) 0.40338(11) 0.0275(7) Uani 1 1 d . . . . .
O10B O 0.3159(2) 0.91772(16) 0.42822(11) 0.0449(9) Uani 1 1 d . . . . .
C10B C 0.3788(2) 0.6045(2) 0.77701(14) 0.0348(10) Uani 1 1 d . . . . .
H10D H 0.382165 0.589870 0.801183 0.042 Uiso 1 1 calc R U . . .
N10B N 0.30413(17) 0.69880(18) 0.36569(11) 0.0300(7) Uani 1 1 d . . . . .
O11B O 0.49654(17) 0.75873(16) 0.54443(10) 0.0386(8) Uani 1 1 d . . . . .
C11B C 0.3444(2) 0.6592(2) 0.76984(14) 0.0324(9) Uani 1 1 d . . . . .
N11B N 0.2240(2) 0.7365(2) 0.32163(12) 0.0418(10) Uani 1 1 d . . . . .
H11B H 0.192201 0.760270 0.315816 0.050 Uiso 1 1 calc R U . . .
O12B O 0.40584(14) 0.76657(13) 0.48338(9) 0.0292(6) Uani 1 1 d . . . . .
C12B C 0.3116(2) 0.6831(2) 0.79736(14) 0.0346(9) Uani 1 1 d . . . . .
H12D H 0.309116 0.661337 0.818156 0.042 Uiso 1 1 calc R U . . .
N12B N 0.2347(2) 0.6906(2) 0.29469(12) 0.0384(9) Uani 1 1 d . . . . .
O13B O 0.26094(17) 0.79136(16) 0.37992(10) 0.0395(8) Uani 1 1 d . . . . .
C13B C 0.2834(2) 0.7372(2) 0.79420(15) 0.0364(10) Uani 1 1 d . . . . .
H13B H 0.260002 0.751947 0.812231 0.044 Uiso 1 1 calc R U . . .
N13B N 0.5331(2) 0.32899(19) 0.66915(13) 0.0389(9) Uani 1 1 d . . . . .
O14B O 0.30315(15) 0.60163(16) 0.26582(9) 0.0348(7) Uani 1 1 d . . . . .
C14B C 0.2885(2) 0.7712(2) 0.76475(14) 0.0333(9) Uani 1 1 d . . . . .
H14B H 0.269700 0.809296 0.763132 0.040 Uiso 1 1 calc R U . . .
N14B N 0.5377(2) 0.6881(2) 0.68172(14) 0.0468(11) Uani 1 1 d . . . . .
O15B O 0.33087(18) 0.54530(19) 0.20517(10) 0.0451(9) Uani 1 1 d . . . . .
C15B C 0.3211(2) 0.7488(2) 0.73814(13) 0.0327(9) Uani 1 1 d . . . . .
N15B N 0.2673(2) 0.73340(19) 0.49188(15) 0.0465(11) Uani 1 1 d . . . . .
O16B O 0.57230(19) 0.35646(18) 0.76264(11) 0.0453(9) Uani 1 1 d . . . . .
H16O H 0.561385 0.373314 0.782150 0.068 Uiso 1 1 calc R U . . .
N16B N 0.2738(2) 0.5162(2) 0.68781(13) 0.0435(10) Uani 1 1 d . . . . .
C16B C 0.3479(2) 0.6911(2) 0.73892(13) 0.0310(9) Uani 1 1 d . . . . .
O17B O 0.59108(16) 0.32841(16) 0.68649(10) 0.0371(7) Uani 1 1 d . . . . .
C17B C 0.3011(3) 0.8346(3) 0.7031(2) 0.0579(17) Uani 1 1 d . . . . .
H17D H 0.311063 0.850388 0.680888 0.087 Uiso 1 1 calc R U . . .
H17E H 0.315602 0.864435 0.726450 0.087 Uiso 1 1 calc R U . . .
H17F H 0.255396 0.826894 0.697901 0.087 Uiso 1 1 calc R U . . .
O18B O 0.50477(16) 0.37584(15) 0.67732(11) 0.0378(7) Uani 1 1 d . . . . .
C18B C 0.3810(2) 0.44639(19) 0.63014(14) 0.0348(10) Uani 1 1 d . . . . .
H18D H 0.344664 0.424424 0.611481 0.052 Uiso 1 1 calc R U . . .
H18E H 0.384128 0.434870 0.656037 0.052 Uiso 1 1 calc R U . . .
H18F H 0.419719 0.436142 0.622141 0.052 Uiso 1 1 calc R U . . .
O19B O 0.5067(2) 0.2867(2) 0.64554(15) 0.0623(12) Uani 1 1 d . . . . .
C19B C 0.3746(2) 0.53568(19) 0.59791(13) 0.0295(8) Uani 1 1 d . . . . .
O20B O 0.64526(19) 0.53484(18) 0.73888(12) 0.0456(9) Uani 1 1 d . . . . .
H20E H 0.624657 0.565261 0.743407 0.068 Uiso 1 1 calc R U . . .
C20B C 0.3703(3) 0.5008(2) 0.56233(13) 0.0364(10) Uani 1 1 d . . . . .
H20B H 0.364964 0.457902 0.559630 0.044 Uiso 1 1 calc R U . . .
O21B O 0.28639(19) 0.56832(17) 0.67999(11) 0.0435(8) Uani 1 1 d . . . . .
C21B C 0.3740(3) 0.5299(2) 0.53056(14) 0.0390(11) Uani 1 1 d . . . . .
H21B H 0.372275 0.506540 0.506171 0.047 Uiso 1 1 calc R U . . .
O22B O 0.3153(2) 0.48038(18) 0.69552(14) 0.0590(12) Uani 1 1 d . . . . .
C22B C 0.3800(2) 0.5916(2) 0.53437(13) 0.0349(10) Uani 1 1 d . . . . .
H22B H 0.380828 0.610629 0.512206 0.042 Uiso 1 1 calc R U . . .
O23B O 0.2195(3) 0.5010(3) 0.6863(2) 0.094(2) Uani 1 1 d . . . . .
C23B C 0.3850(2) 0.62807(19) 0.57052(13) 0.0303(9) Uani 1 1 d . . . . .
O24B O 0.5141(2) 0.7237(2) 0.65753(12) 0.0511(10) Uani 1 1 d . . . . .
C24B C 0.3836(2) 0.59971(18) 0.60341(13) 0.0280(8) Uani 1 1 d . . . . .
O25B O 0.50106(18) 0.67014(16) 0.70124(11) 0.0415(8) Uani 1 1 d . . . . .
C25B C 0.3907(2) 0.6930(2) 0.56957(13) 0.0316(9) Uani 1 1 d . . . . .
H25B H 0.387639 0.705315 0.544738 0.038 Uiso 1 1 calc R U . . .
O26B O 0.5918(2) 0.6731(3) 0.68649(15) 0.0683(13) Uani 1 1 d . . . . .
C26B C 0.4019(3) 0.8359(2) 0.61878(15) 0.0376(10) Uani 1 1 d . . . . .
O27B O 0.4711(2) 0.79180(18) 0.72607(12) 0.0534(11) Uani 1 1 d . . . . .
H27D H 0.464303 0.828873 0.726234 0.080 Uiso 1 1 calc R U . . .
C27B C 0.3707(3) 0.9609(2) 0.56802(17) 0.0434(12) Uani 1 1 d . . . . .
H27B H 0.370500 0.990012 0.589777 0.052 Uiso 1 1 calc R U . . .
O28B O 0.29604(18) 0.72685(18) 0.63122(11) 0.0429(8) Uani 1 1 d . . . . .
H28O H 0.283914 0.754226 0.617313 0.064 Uiso 1 1 calc R U . . .
C28B C 0.3521(3) 0.9793(2) 0.52999(17) 0.0425(12) Uani 1 1 d . . . . .
O29B O 0.5015(3) 0.8861(2) 0.5439(2) 0.0826(18) Uani 1 1 d D . . . .
H29O H 0.497(4) 0.9242(10) 0.544(3) 0.124 Uiso 1 1 d D U . . .
H29P H 0.536(3) 0.880(4) 0.536(3) 0.124 Uiso 1 1 d D U . . .
C29B C 0.3346(3) 1.0394(2) 0.5272(2) 0.0541(15) Uani 1 1 d . . . . .
H29B H 0.337828 1.066511 0.550418 0.065 Uiso 1 1 calc R U . . .
O30B O 0.29016(18) 0.78644(15) 0.50582(11) 0.0383(7) Uani 1 1 d . . . . .
C30B C 0.3129(3) 1.0599(2) 0.4921(2) 0.0530(15) Uani 1 1 d . . . . .
H30B H 0.301707 1.100807 0.491002 0.064 Uiso 1 1 calc R U . . .
O31B O 0.2657(2) 0.71593(16) 0.45668(12) 0.0483(10) Uani 1 1 d . . . . .
C31B C 0.3073(2) 1.0202(2) 0.45795(18) 0.0420(11) Uani 1 1 d . . . . .
H31B H 0.292949 1.034045 0.433384 0.050 Uiso 1 1 calc R U . . .
O32B O 0.2503(3) 0.7010(2) 0.51295(15) 0.0689(14) Uani 1 1 d . . . . .
C32B C 0.3227(2) 0.9613(2) 0.45994(16) 0.0354(10) Uani 1 1 d . . . . .
O33B O 0.21468(17) 0.84114(19) 0.44166(12) 0.0456(9) Uani 1 1 d . . . . .
H33D H 0.188331 0.837822 0.419904 0.068 Uiso 1 1 calc R U . . .
C33B C 0.3471(2) 0.9392(2) 0.49578(15) 0.0343(10) Uani 1 1 d . . . . .
C34B C 0.2895(5) 0.9355(3) 0.3911(2) 0.080(3) Uani 1 1 d . . . . .
H34D H 0.286266 0.900501 0.370986 0.121 Uiso 1 1 calc R U . . .
H34E H 0.316764 0.967586 0.386469 0.121 Uiso 1 1 calc R U . . .
H34F H 0.247411 0.950545 0.390172 0.121 Uiso 1 1 calc R U . . .
O34B O 0.20158(18) 0.56636(19) 0.31044(12) 0.0458(9) Uani 1 1 d D . . . .
H34J H 0.1674(19) 0.568(3) 0.2930(16) 0.069 Uiso 1 1 d D U . . .
H34K H 0.202(3) 0.5305(13) 0.3162(19) 0.069 Uiso 1 1 d D U . . .
C35B C 0.5441(3) 0.7534(3) 0.58014(18) 0.065(2) Uani 1 1 d . . . . .
H35D H 0.536246 0.715243 0.589543 0.098 Uiso 1 1 calc R U . . .
H35E H 0.542138 0.787501 0.599879 0.098 Uiso 1 1 calc R U . . .
H35F H 0.586119 0.753700 0.575057 0.098 Uiso 1 1 calc R U . . .
O35B O 0.4049(2) 0.8348(2) 0.41470(14) 0.0562(11) Uani 1 1 d . . . . .
H35J H 0.387755 0.826853 0.390785 0.084 Uiso 1 1 calc R U . . .
C36B C 0.4929(2) 0.7136(2) 0.51375(12) 0.0291(8) Uani 1 1 d . . . . .
C37B C 0.5333(2) 0.6671(2) 0.51497(13) 0.0320(9) Uani 1 1 d . . . . .
H37B H 0.565862 0.663939 0.537707 0.038 Uiso 1 1 calc R U . . .
C38B C 0.5253(2) 0.6243(2) 0.48174(13) 0.0326(9) Uani 1 1 d . . . . .
H38B H 0.552030 0.591021 0.481986 0.039 Uiso 1 1 calc R U . . .
C39B C 0.4791(2) 0.63019(19) 0.44896(13) 0.0282(8) Uani 1 1 d . . . . .
H39B H 0.475182 0.601406 0.426426 0.034 Uiso 1 1 calc R U . . .
C40B C 0.43729(19) 0.67782(18) 0.44770(12) 0.0255(8) Uani 1 1 d . . . . .
C41B C 0.44318(19) 0.72063(19) 0.48106(13) 0.0270(8) Uani 1 1 d . . . . .
C42B C 0.38976(19) 0.67732(18) 0.41101(12) 0.0253(8) Uani 1 1 d . . . . .
H42B H 0.393149 0.647289 0.390385 0.030 Uiso 1 1 calc R U . . .
C43B C 0.2648(2) 0.7436(2) 0.35758(14) 0.0347(10) Uani 1 1 d . . . . .
C44B C 0.2057(3) 0.6918(3) 0.25907(16) 0.0534(15) Uani 1 1 d . . . . .
H44B H 0.175568 0.721764 0.253079 0.064 Uiso 1 1 calc R U . . .
C45B C 0.2168(3) 0.6493(3) 0.22727(16) 0.0540(15) Uani 1 1 d . . . . .
C46B C 0.1789(4) 0.6550(4) 0.1892(2) 0.085(3) Uani 1 1 d . . . . .
H46B H 0.145581 0.682256 0.186166 0.102 Uiso 1 1 calc R U . . .
C47B C 0.1902(5) 0.6217(5) 0.1574(2) 0.096(3) Uani 1 1 d . . . . .
H47B H 0.163507 0.624497 0.132412 0.115 Uiso 1 1 calc R U . . .
C48B C 0.2406(4) 0.5836(4) 0.16129(17) 0.0655(19) Uani 1 1 d . . . . .
H48B H 0.248908 0.561280 0.138823 0.079 Uiso 1 1 calc R U . . .
C49B C 0.2783(3) 0.5781(3) 0.19751(15) 0.0462(12) Uani 1 1 d . . . . .
C50B C 0.2658(2) 0.6101(3) 0.23165(14) 0.0409(11) Uani 1 1 d . . . . .
C51B C 0.3450(3) 0.5085(3) 0.17275(16) 0.0527(15) Uani 1 1 d . . . . .
H51D H 0.310351 0.478199 0.161070 0.079 Uiso 1 1 calc R U . . .
H51E H 0.384230 0.487934 0.181721 0.079 Uiso 1 1 calc R U . . .
H51F H 0.350049 0.534187 0.153340 0.079 Uiso 1 1 calc R U . . .
C52B C 0.6040(5) 0.3030(5) 0.7720(3) 0.103(4) Uani 1 1 d . . . . .
H52D H 0.573084 0.271030 0.772415 0.154 Uiso 1 1 calc R U . . .
H52E H 0.633947 0.311483 0.797624 0.154 Uiso 1 1 calc R U . . .
H52F H 0.626965 0.289708 0.752381 0.154 Uiso 1 1 calc R U . . .
C53B C 0.7013(3) 0.5538(3) 0.7298(2) 0.071(2) Uani 1 1 d . . . . .
H53D H 0.710228 0.597153 0.738796 0.106 Uiso 1 1 calc R U . . .
H53E H 0.736587 0.530936 0.742666 0.106 Uiso 1 1 calc R U . . .
H53F H 0.695844 0.546252 0.701559 0.106 Uiso 1 1 calc R U . . .
C54B C 0.2436(4) 0.6920(4) 0.6334(3) 0.081(3) Uani 1 1 d . . . . .
H54D H 0.212305 0.718772 0.640917 0.121 Uiso 1 1 calc R U . . .
H54E H 0.256920 0.664298 0.652754 0.121 Uiso 1 1 calc R U . . .
H54F H 0.224804 0.668501 0.607907 0.121 Uiso 1 1 calc R U . . .
C55B C 0.1907(3) 0.8782(3) 0.46952(19) 0.0521(14) Uani 1 1 d . . . . .
H55D H 0.175286 0.915353 0.459029 0.078 Uiso 1 1 calc R U . . .
H55E H 0.224359 0.888822 0.493400 0.078 Uiso 1 1 calc R U . . .
H55F H 0.155854 0.856158 0.475334 0.078 Uiso 1 1 calc R U . . .
C56B C 0.5177(5) 0.7838(4) 0.7582(2) 0.101(4) Uani 1 1 d . . . . .
H56D H 0.557796 0.778597 0.750969 0.151 Uiso 1 1 calc R U . . .
H56E H 0.506930 0.747641 0.768739 0.151 Uiso 1 1 calc R U . . .
H56F H 0.521679 0.819357 0.777944 0.151 Uiso 1 1 calc R U . . .
C57B C 0.4690(5) 0.8233(6) 0.4216(4) 0.126(5) Uani 1 1 d . . . . .
H57D H 0.479061 0.808746 0.396969 0.189 Uiso 1 1 calc R U . . .
H57E H 0.478774 0.792332 0.439149 0.189 Uiso 1 1 calc R U . . .
H57F H 0.494218 0.860662 0.433657 0.189 Uiso 1 1 calc R U . . .
Mn3C Mn 0.96399(3) 0.65022(3) 0.97552(2) 0.02872(13) Uani 1 1 d . . . . .
N1C N 1.08430(16) 0.71845(17) 0.95632(11) 0.0275(7) Uani 1 1 d . . . . .
Gd2C Gd 1.19747(2) 0.70884(2) 0.95253(2) 0.02739(4) Uani 1 1 d . . . . .
O1C O 1.18923(13) 0.92067(14) 0.92961(9) 0.0280(6) Uani 1 1 d . . . . .
C1C C 1.2032(2) 0.9845(2) 0.93098(14) 0.0311(9) Uani 1 1 d . . . . .
H1CA H 1.248291 0.991316 0.932811 0.047 Uiso 1 1 calc R U . . .
H1CB H 1.192739 1.006862 0.953754 0.047 Uiso 1 1 calc R U . . .
H1CC H 1.178193 0.998678 0.907305 0.047 Uiso 1 1 calc R U . . .
Mn1C Mn 0.66806(3) 0.86120(4) 0.88874(2) 0.03697(16) Uani 1 1 d . . . . .
N2C N 1.05359(17) 0.66505(17) 0.96117(11) 0.0293(7) Uani 1 1 d . . . . .
Gd3C Gd 0.81336(2) 0.66405(2) 0.92096(2) 0.03425(5) Uani 1 1 d . . . . .
O2C O 1.17432(13) 0.80894(14) 0.94299(9) 0.0265(6) Uani 1 1 d . . . . .
C2C C 1.13128(18) 0.90456(18) 0.93485(12) 0.0240(7) Uani 1 1 d . . . . .
Mn2C Mn 0.73680(3) 1.15605(3) 1.06633(2) 0.02793(13) Uani 1 1 d . . . . .
N3C N 1.06327(19) 0.56240(18) 0.95886(12) 0.0346(8) Uani 1 1 d . . . . .
H3CB H 1.085694 0.529903 0.958904 0.042 Uiso 1 1 calc R U . . .
Gd1C Gd 0.61845(2) 0.96027(2) 0.95806(2) 0.03732(6) Uani 1 1 d . . . . .
O3C O 1.14590(16) 0.61922(15) 0.95447(10) 0.0346(7) Uani 1 1 d . . . . .
C3C C 1.0838(2) 0.9447(2) 0.93395(13) 0.0289(8) Uani 1 1 d . . . . .
H3CA H 1.090248 0.985403 0.929953 0.035 Uiso 1 1 calc R U . . .
C4C C 1.0254(2) 0.9246(2) 0.93902(13) 0.0304(9) Uani 1 1 d . . . . .
H4CA H 0.992266 0.951694 0.938940 0.036 Uiso 1 1 calc R U . . .
O4C O 0.87958(16) 0.59442(15) 0.94865(10) 0.0367(7) Uani 1 1 d . . . . .
N4C N 1.00144(19) 0.55811(18) 0.95922(11) 0.0322(8) Uani 1 1 d . . . . .
C5C C 1.01712(19) 0.8652(2) 0.94408(13) 0.0291(8) Uani 1 1 d . . . . .
H5CA H 0.977435 0.851610 0.946989 0.035 Uiso 1 1 calc R U . . .
O5C O 0.76070(17) 0.56404(18) 0.93143(12) 0.0463(9) Uani 1 1 d . . . . .
N5C N 0.77653(18) 0.77046(19) 0.92855(12) 0.0359(9) Uani 1 1 d . . . . .
C6C C 1.06538(18) 0.82375(19) 0.94513(12) 0.0249(7) Uani 1 1 d . . . . .
O6C O 1.00085(15) 0.73971(15) 1.02017(9) 0.0327(7) Uani 1 1 d . . . . .
N6C N 0.71641(17) 0.7792(2) 0.90487(13) 0.0371(9) Uani 1 1 d . . . . .
C7C C 1.12439(17) 0.84402(18) 0.94125(11) 0.0225(7) Uani 1 1 d . . . . .
O7C O 0.89561(14) 0.71998(14) 0.96631(9) 0.0303(6) Uani 1 1 d . . . . .
N7C N 0.6288(2) 0.7264(2) 0.86329(14) 0.0472(11) Uani 1 1 d . . . . .
H7C H 0.610944 0.694458 0.846969 0.057 Uiso 1 1 calc R U . . .
C8C C 1.04796(19) 0.7630(2) 0.95049(12) 0.0263(8) Uani 1 1 d . . . . .
H8CA H 1.004786 0.755171 0.949597 0.032 Uiso 1 1 calc R U . . .
O8C O 0.71074(16) 0.67359(18) 0.88903(12) 0.0460(9) Uani 1 1 d . . . . .
N8C N 0.59869(19) 0.7795(2) 0.86645(13) 0.0417(10) Uani 1 1 d . . . . .
C9C C 1.0900(2) 0.6179(2) 0.95844(13) 0.0309(9) Uani 1 1 d . . . . .
O9C O 0.58294(14) 0.89169(18) 0.90271(10) 0.0395(8) Uani 1 1 d . . . . .
N9C N 0.69795(17) 1.04675(19) 0.99012(11) 0.0324(8) Uani 1 1 d . . . . .
C10C C 0.9759(2) 0.5043(2) 0.95479(14) 0.0342(9) Uani 1 1 d . . . . .
H10E H 1.002256 0.470978 0.953535 0.041 Uiso 1 1 calc R U . . .
O10C O 0.50474(15) 0.97212(19) 0.91728(11) 0.0471(10) Uani 1 1 d . . . . .
N10C N 0.68137(17) 1.08812(19) 1.01858(12) 0.0336(8) Uani 1 1 d . . . . .
C11C C 0.9093(2) 0.4915(2) 0.95160(13) 0.0354(10) Uani 1 1 d . . . . .
O11C O 0.76714(15) 0.89404(16) 0.88365(10) 0.0382(8) Uani 1 1 d . . . . .
N11C N 0.59931(17) 1.1116(2) 1.04660(13) 0.0419(10) Uani 1 1 d . . . . .
H11C H 0.564799 1.101027 1.053043 0.050 Uiso 1 1 calc R U . . .
C12C C 0.8891(3) 0.4303(2) 0.95112(15) 0.0423(12) Uani 1 1 d . . . . .
H12E H 0.919270 0.399832 0.954187 0.051 Uiso 1 1 calc R U . . .
O12C O 0.70300(14) 0.94357(15) 0.93026(10) 0.0326(7) Uani 1 1 d . . . . .
N12C N 0.63295(17) 1.16518(19) 1.06331(12) 0.0351(8) Uani 1 1 d . . . . .
C13C C 0.8267(3) 0.4150(2) 0.94630(16) 0.0471(13) Uani 1 1 d . . . . .
H13C H 0.814174 0.374165 0.946863 0.057 Uiso 1 1 calc R U . . .
O13C O 0.58431(15) 1.03270(18) 0.99892(11) 0.0447(9) Uani 1 1 d . . . . .
N13C N 1.2419(2) 0.7790(3) 1.03128(14) 0.0529(12) Uani 1 1 d . . . . .
C14C C 0.7814(2) 0.4579(2) 0.94061(14) 0.0390(11) Uani 1 1 d . . . . .
H14C H 0.738070 0.446885 0.937262 0.047 Uiso 1 1 calc R U . . .
O14C O 0.72781(14) 1.25346(14) 1.07539(9) 0.0294(6) Uani 1 1 d . . . . .
N14C N 0.9035(2) 0.7028(2) 0.87743(14) 0.0441(10) Uani 1 1 d . . . . .
C15C C 0.8006(2) 0.5173(2) 0.93988(14) 0.0383(11) Uani 1 1 d . . . . .
O15C O 0.76069(16) 1.36821(16) 1.09276(11) 0.0374(7) Uani 1 1 d . . . . .
N15C N 0.6923(3) 0.8782(3) 1.0070(2) 0.084(2) Uani 1 1 d . . . . .
C16C C 0.8648(2) 0.5360(2) 0.94719(14) 0.0354(10) Uani 1 1 d . . . . .
O16C O 1.28096(18) 0.65325(18) 0.99104(12) 0.0462(9) Uani 1 1 d . . . . .
H16C H 1.245350 0.659428 0.995260 0.069 Uiso 1 1 calc R U . . .
N16C N 0.5486(5) 0.8658(7) 1.0042(4) 0.1372(18) Uani 1 1 d . . . . .
C17C C 0.6964(3) 0.5546(3) 0.93197(19) 0.0524(15) Uani 1 1 d . . . . .
H17G H 0.673894 0.591729 0.927193 0.079 Uiso 1 1 calc R U . . .
H17H H 0.694452 0.544089 0.957422 0.079 Uiso 1 1 calc R U . . .
H17I H 0.676529 0.521425 0.911657 0.079 Uiso 1 1 calc R U . . .
O17C O 1.27513(18) 0.78076(19) 1.00675(11) 0.0456(9) Uani 1 1 d . . . . .
C18C C 1.0629(2) 0.7509(2) 1.04675(15) 0.0379(10) Uani 1 1 d . . . . .
H18G H 1.086205 0.713679 1.046556 0.057 Uiso 1 1 calc R U . . .
H18H H 1.058507 0.763956 1.073089 0.057 Uiso 1 1 calc R U . . .
H18I H 1.086039 0.782818 1.038596 0.057 Uiso 1 1 calc R U . . .
O18C O 1.19394(19) 0.7414(2) 1.02110(11) 0.0519(10) Uani 1 1 d . . . . .
C19C C 0.9636(2) 0.7887(2) 1.01498(13) 0.0314(9) Uani 1 1 d . . . . .
O19C O 1.2550(3) 0.8126(3) 1.06181(14) 0.0881(18) Uani 1 1 d . . . . .
C20C C 0.9803(2) 0.8464(3) 1.03483(16) 0.0449(13) Uani 1 1 d . . . . .
H20C H 1.018772 0.853791 1.054433 0.054 Uiso 1 1 calc R U . . .
O20C O 1.12704(17) 0.69194(16) 0.88720(10) 0.0375(7) Uani 1 1 d . . . . .
H20D H 1.099934 0.663070 0.882626 0.056 Uiso 1 1 calc R U . B 1
C21C C 0.9403(3) 0.8936(3) 1.02594(19) 0.0532(16) Uani 1 1 d . . . . .
H21C H 0.952527 0.933730 1.038336 0.064 Uiso 1 1 calc R U . . .
O21C O 0.95348(19) 0.62634(18) 1.03050(11) 0.0442(8) Uani 1 1 d D . . . .
H21F H 0.962(3) 0.630(3) 1.0090(9) 0.066 Uiso 1 1 d D U . . .
H21G H 0.9181(17) 0.607(3) 1.0250(16) 0.066 Uiso 1 1 d D U . . .
C22C C 0.8831(2) 0.8817(3) 0.99916(17) 0.0459(13) Uani 1 1 d . . . . .
H22C H 0.855042 0.913610 0.994258 0.055 Uiso 1 1 calc R U . . .
O22C O 0.8511(2) 0.72600(18) 0.87678(12) 0.0478(9) Uani 1 1 d . . . . .
C23C C 0.8647(2) 0.8225(2) 0.97854(15) 0.0359(10) Uani 1 1 d . . . . .
O23C O 0.91653(17) 0.65854(16) 0.89696(10) 0.0379(7) Uani 1 1 d . . . . .
C24C C 0.9062(2) 0.7760(2) 0.98578(13) 0.0304(9) Uani 1 1 d . . . . .
O24C O 0.9411(3) 0.7222(2) 0.86137(17) 0.0769(16) Uani 1 1 d . . . . .
C25C C 0.8030(2) 0.8177(2) 0.95139(15) 0.0352(10) Uani 1 1 d . . . . .
H25C H 0.779631 0.853372 0.950417 0.042 Uiso 1 1 calc R U . . .
O25C O 0.7721(2) 0.6753(2) 0.97898(14) 0.0634(13) Uani 1 1 d . . . . .
C26C C 0.6881(2) 0.7259(3) 0.88691(16) 0.0413(11) Uani 1 1 d . . . . .
O26C O 0.61053(19) 1.0414(2) 0.91621(13) 0.0560(11) Uani 1 1 d . . . . .
C27C C 0.5385(2) 0.7771(3) 0.85263(15) 0.0407(11) Uani 1 1 d . . . . .
H27C H 0.518290 0.739878 0.838959 0.049 Uiso 1 1 calc R U . . .
O27C O 0.5392(4) 0.9024(5) 0.9790(3) 0.1372(18) Uani 1 1 d . . . . .
C28C C 0.5000(2) 0.8287(3) 0.85694(14) 0.0378(11) Uani 1 1 d . . . . .
O28C O 0.5070(4) 0.8228(5) 1.0070(3) 0.1372(18) Uani 1 1 d . . . . .
C29C C 0.4353(2) 0.8224(3) 0.83628(17) 0.0483(14) Uani 1 1 d . . . . .
H29C H 0.419583 0.786518 0.818981 0.058 Uiso 1 1 calc R U . . .
O29C O 0.5857(4) 0.8576(5) 1.0358(3) 0.1372(18) Uani 1 1 d . . . . .
C30C C 0.3957(2) 0.8677(3) 0.84119(19) 0.0579(17) Uani 1 1 d . . . . .
H30C H 0.352975 0.863891 0.826324 0.069 Uiso 1 1 calc R U . . .
O30C O 0.6601(3) 0.8576(3) 0.97341(17) 0.0885(11) Uani 1 1 d . . . . .
C31C C 0.4171(2) 0.9195(3) 0.86776(17) 0.0508(15) Uani 1 1 d . . . . .
H31C H 0.389122 0.950628 0.871513 0.061 Uiso 1 1 calc R U . . .
O31C O 0.6857(3) 0.9343(3) 1.01901(17) 0.0885(11) Uani 1 1 d . . . . .
C32C C 0.4793(2) 0.9248(3) 0.88842(15) 0.0421(12) Uani 1 1 d . . . . .
O32C O 0.7255(3) 0.8450(3) 1.02866(17) 0.0885(11) Uani 1 1 d . . . . .
C33C C 0.5229(2) 0.8813(3) 0.88270(14) 0.0374(10) Uani 1 1 d . . . . .
O33C O 0.7927(2) 0.5998(2) 0.85799(14) 0.0649(13) Uani 1 1 d . . . . .
H33C H 0.759351 0.605601 0.841516 0.097 Uiso 1 1 calc R U . . .
C34C C 0.4652(3) 1.0217(3) 0.9218(2) 0.0561(16) Uani 1 1 d . . . . .
H34G H 0.451653 1.038242 0.897129 0.084 Uiso 1 1 calc R U . . .
H34H H 0.488835 1.053293 0.941986 0.084 Uiso 1 1 calc R U . . .
H34I H 0.428039 1.007437 0.929393 0.084 Uiso 1 1 calc R U . . .
C35C C 0.8065(3) 0.8593(3) 0.86332(17) 0.0444(12) Uani 1 1 d . . . . .
H35G H 0.784362 0.820658 0.850724 0.067 Uiso 1 1 calc R U . . .
H35H H 0.845920 0.851658 0.881782 0.067 Uiso 1 1 calc R U . . .
H35I H 0.815989 0.882013 0.843551 0.067 Uiso 1 1 calc R U . . .
C36C C 0.7943(2) 0.9468(2) 0.90690(13) 0.0323(9) Uani 1 1 d . . . . .
C37C C 0.8523(2) 0.9724(2) 0.90686(15) 0.0377(10) Uani 1 1 d . . . . .
H37C H 0.876408 0.953325 0.890461 0.045 Uiso 1 1 calc R U . . .
C38C C 0.8749(2) 1.0259(2) 0.93078(16) 0.0406(11) Uani 1 1 d . . . . .
H38C H 0.914345 1.044029 0.930527 0.049 Uiso 1 1 calc R U . . .
C39C C 0.8401(2) 1.0529(2) 0.95508(15) 0.0363(10) Uani 1 1 d . . . . .
H39C H 0.856117 1.089441 0.971635 0.044 Uiso 1 1 calc R U . . .
C40C C 0.78120(19) 1.0273(2) 0.95572(13) 0.0315(9) Uani 1 1 d . . . . .
C41C C 0.75736(19) 0.9726(2) 0.93111(13) 0.0307(9) Uani 1 1 d . . . . .
C42C C 0.75048(19) 1.0615(2) 0.98287(13) 0.0302(9) Uani 1 1 d . . . . .
H42C H 0.771408 1.098428 0.996587 0.036 Uiso 1 1 calc R U . . .
C43C C 0.6215(2) 1.0756(3) 1.01970(14) 0.0390(11) Uani 1 1 d . . . . .
C44C C 0.6027(2) 1.2067(2) 1.07751(14) 0.0358(10) Uani 1 1 d . . . . .
H44C H 0.561046 1.196842 1.078948 0.043 Uiso 1 1 calc R U . . .
C45C C 0.6279(2) 1.2682(2) 1.09161(14) 0.0331(9) Uani 1 1 d . . . . .
C46C C 0.5872(2) 1.3103(3) 1.10428(15) 0.0416(11) Uani 1 1 d . . . . .
H46C H 0.546929 1.296510 1.106076 0.050 Uiso 1 1 calc R U . . .
C47C C 0.6048(3) 1.3704(3) 1.11398(17) 0.0456(12) Uani 1 1 d . . . . .
H47C H 0.576949 1.397713 1.122972 0.055 Uiso 1 1 calc R U . . .
C48C C 0.6630(2) 1.3923(2) 1.11088(16) 0.0393(11) Uani 1 1 d . . . . .
H48C H 0.675079 1.434247 1.117382 0.047 Uiso 1 1 calc R U . . .
C49C C 0.7026(2) 1.3514(2) 1.09809(14) 0.0334(9) Uani 1 1 d . . . . .
C50C C 0.6869(2) 1.2894(2) 1.08844(13) 0.0297(8) Uani 1 1 d . . . . .
C51C C 0.7892(3) 1.4264(3) 1.1123(2) 0.0499(14) Uani 1 1 d . . . . .
H51G H 0.831556 1.431200 1.108240 0.075 Uiso 1 1 calc R U . . .
H51H H 0.792283 1.428681 1.140235 0.075 Uiso 1 1 calc R U . . .
H51I H 0.763113 1.458723 1.101762 0.075 Uiso 1 1 calc R U . . .
C52C C 1.2903(4) 0.5890(4) 0.9867(2) 0.070(2) Uani 1 1 d . . . . .
H52G H 1.249267 0.566703 0.979957 0.105 Uiso 1 1 calc R U . . .
H52H H 1.316164 0.578062 1.011204 0.105 Uiso 1 1 calc R U . . .
H52I H 1.311866 0.578588 0.965994 0.105 Uiso 1 1 calc R U . . .
C54C C 0.8310(5) 0.5637(4) 0.8400(3) 0.106(4) Uani 1 1 d . . . . .
H54G H 0.804733 0.533181 0.820126 0.159 Uiso 1 1 calc R U . . .
H54H H 0.860207 0.543453 0.859350 0.159 Uiso 1 1 calc R U . . .
H54I H 0.855145 0.588987 0.827649 0.159 Uiso 1 1 calc R U . . .
C55C C 1.130(3) 0.7123(16) 0.8524(11) 0.094(14) Uani 0.5 1 d . . P C 1
H55A H 1.133002 0.677568 0.833402 0.140 Uiso 0.5 1 calc R U P C 1
H55B H 1.166557 0.740186 0.857014 0.140 Uiso 0.5 1 calc R U P C 1
H55C H 1.091163 0.733311 0.842425 0.140 Uiso 0.5 1 calc R U P C 1
C55D C 1.110(3) 0.7321(16) 0.8595(11) 0.094(14) Uani 0.5 1 d . . P C 2
H55G H 1.103997 0.709907 0.833366 0.140 Uiso 0.5 1 calc R U P C 2
H55H H 1.143115 0.764021 0.864087 0.140 Uiso 0.5 1 calc R U P C 2
H55I H 1.070179 0.750387 0.861816 0.140 Uiso 0.5 1 calc R U P C 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
_geom_angle_publ_flag
O3 N1 O2 127.0(14) . . ?
O3 N1 O4 111.9(11) . . ?
O2 N1 O4 121.1(12) . . ?
O11 N2 O12 121.4(4) . . ?
O11 N2 O10 119.9(4) . . ?
O12 N2 O10 118.7(4) . . ?
O6 N3 O7 119.8(7) . . ?
O6 N3 O8 120.2(5) . . ?
O7 N3 O8 119.9(7) . . ?
N1 O3 Mn1C 113.2(9) . . ?
O16 N4 O14 121.1(6) . . ?
O16 N4 O15 119.7(6) . . ?
O14 N4 O15 119.1(6) . . ?
O19D N5 O20D 121.0(8) . . ?
O18 N5 O20 124.2(7) . . ?
O19D N5 O18D 118.2(6) . . ?
O20D N5 O18D 120.2(7) . . ?
O18 N5 O19 120.1(6) . . ?
O20 N5 O19 115.6(6) . . ?
N2 O12 Mn2C 101.1(3) . . ?
O26 C12 H12A 109.5 . . ?
O26 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
O26 C12 H12F 109.5 . . ?
H12A C12 H12F 109.5 . . ?
H12B C12 H12F 109.5 . . ?
N5 O18 Mn1A 112.8(8) . . ?
N5 O19D Mn1A 107.5(6) . . ?
O21A Mn2A O4A 94.00(18) . . ?
O21A Mn2A N2A 115.4(2) . . ?
O4A Mn2A N2A 133.22(16) . . ?
O21A Mn2A O7A 109.8(2) . . ?
O4A Mn2A O7A 79.23(12) . . ?
N2A Mn2A O7A 118.85(13) . . ?
O21A Mn2A N4A 85.0(2) . . ?
O4A Mn2A N4A 76.43(15) . . ?
N2A Mn2A N4A 71.21(15) . . ?
O7A Mn2A N4A 152.34(15) . . ?
O21A Mn2A O6A 78.26(17) . . ?
O4A Mn2A O6A 141.40(13) . . ?
N2A Mn2A O6A 82.51(14) . . ?
O7A Mn2A O6A 68.50(11) . . ?
N4A Mn2A O6A 138.87(15) . . ?
O21A Mn2A Gd2A 116.29(18) . . ?
O4A Mn2A Gd2A 40.78(8) . . ?
N2A Mn2A Gd2A 128.32(12) . . ?
O7A Mn2A Gd2A 41.07(8) . . ?
N4A Mn2A Gd2A 111.64(12) . . ?
O6A Mn2A Gd2A 109.47(8) . . ?
O3A Gd1A O14A 144.02(15) . 2_556 ?
O3A Gd1A O2A 138.93(12) . . ?
O14A Gd1A O2A 73.12(12) 2_556 . ?
O3A Gd1A O19A 80.51(18) . . ?
O14A Gd1A O19A 92.53(15) 2_556 . ?
O2A Gd1A O19A 81.28(14) . . ?
O3A Gd1A O20A 73.58(17) . . ?
O14A Gd1A O20A 86.9(2) 2_556 . ?
O2A Gd1A O20A 141.27(16) . . ?
O19A Gd1A O20A 133.6(2) . . ?
O3A Gd1A O16A 84.70(19) . . ?
O14A Gd1A O16A 120.63(14) 2_556 . ?
O2A Gd1A O16A 84.94(15) . . ?
O19A Gd1A O16A 138.27(15) . . ?
O20A Gd1A O16A 77.1(2) . . ?
O3A Gd1A N1A 64.73(13) . . ?
O14A Gd1A N1A 144.50(13) 2_556 . ?
O2A Gd1A N1A 74.40(11) . . ?
O19A Gd1A N1A 68.64(15) . . ?
O20A Gd1A N1A 128.0(2) . . ?
O16A Gd1A N1A 69.74(14) . . ?
O3A Gd1A O15A 81.44(18) . 2_556 ?
O14A Gd1A O15A 63.43(14) 2_556 2_556 ?
O2A Gd1A O15A 124.14(17) . 2_556 ?
O19A Gd1A O15A 67.96(17) . 2_556 ?
O20A Gd1A O15A 70.6(3) . 2_556 ?
O16A Gd1A O15A 147.24(19) . 2_556 ?
N1A Gd1A O15A 128.19(13) . 2_556 ?
O3A Gd1A O17A 126.86(17) . . ?
O14A Gd1A O17A 70.38(13) 2_556 . ?
O2A Gd1A O17A 71.82(12) . . ?
O19A Gd1A O17A 151.25(15) . . ?
O20A Gd1A O17A 70.27(18) . . ?
O16A Gd1A O17A 50.33(14) . . ?
N1A Gd1A O17A 112.08(13) . . ?
O15A Gd1A O17A 119.62(13) 2_556 . ?
O3A Gd1A N13A 106.35(19) . . ?
O14A Gd1A N13A 95.69(15) 2_556 . ?
O2A Gd1A N13A 76.85(14) . . ?
O19A Gd1A N13A 153.22(16) . . ?
O20A Gd1A N13A 72.4(2) . . ?
O16A Gd1A N13A 24.96(14) . . ?
N1A Gd1A N13A 90.52(15) . . ?
O15A Gd1A N13A 138.02(16) 2_556 . ?
O17A Gd1A N13A 25.38(14) . . ?
O3A Gd1A Mn1A 176.44(12) . 2_556 ?
O14A Gd1A Mn1A 36.83(8) 2_556 2_556 ?
O2A Gd1A Mn1A 38.59(8) . 2_556 ?
O19A Gd1A Mn1A 96.15(11) . 2_556 ?
O20A Gd1A Mn1A 109.79(14) . 2_556 ?
O16A Gd1A Mn1A 97.09(12) . 2_556 ?
N1A Gd1A Mn1A 112.97(8) . 2_556 ?
O15A Gd1A Mn1A 98.50(13) 2_556 2_556 ?
O17A Gd1A Mn1A 56.24(10) . 2_556 ?
N13A Gd1A Mn1A 76.10(12) . 2_556 ?
O1A C1A H1AA 109.5 . . ?
O1A C1A H1AB 109.5 . . ?
H1AA C1A H1AB 109.5 . . ?
O1A C1A H1AC 109.5 . . ?
H1AA C1A H1AC 109.5 . . ?
H1AB C1A H1AC 109.5 . . ?
C8A N1A N2A 114.3(4) . . ?
C8A N1A Gd1A 129.8(3) . . ?
N2A N1A Gd1A 115.8(3) . . ?
C2A O1A C1A 117.0(4) . . ?
C2A O1A Mn1A 116.4(3) . 2_556 ?
C1A O1A Mn1A 125.6(3) . 2_556 ?
O14A Mn1A O18 103.9(5) . . ?
O14A Mn1A N10A 130.87(16) . . ?
O18 Mn1A N10A 100.7(4) . . ?
O14A Mn1A O2A 78.82(13) . 2_556 ?
O18 Mn1A O2A 130.8(2) . 2_556 ?
N10A Mn1A O2A 114.33(13) . 2_556 ?
O14A Mn1A O19D 77.3(2) . . ?
N10A Mn1A O19D 143.7(2) . . ?
O2A Mn1A O19D 91.0(3) 2_556 . ?
O14A Mn1A N12A 77.12(15) . . ?
O18 Mn1A N12A 70.8(3) . . ?
N10A Mn1A N12A 71.80(14) . . ?
O2A Mn1A N12A 151.27(16) 2_556 . ?
O19D Mn1A N12A 98.8(3) . . ?
O14A Mn1A O1A 141.21(13) . 2_556 ?
O18 Mn1A O1A 81.0(4) . 2_556 ?
N10A Mn1A O1A 84.13(14) . 2_556 ?
O2A Mn1A O1A 70.06(12) 2_556 2_556 ?
N12A Mn1A O1A 138.07(15) . 2_556 ?
O14A Mn1A Gd1A 40.27(11) . 2_556 ?
O18 Mn1A Gd1A 135.1(4) . 2_556 ?
N10A Mn1A Gd1A 123.01(12) . 2_556 ?
O2A Mn1A Gd1A 41.10(8) 2_556 2_556 ?
N12A Mn1A Gd1A 110.98(12) . 2_556 ?
O1A Mn1A Gd1A 110.92(8) 2_556 2_556 ?
O8A Gd2A O4A 141.51(12) . . ?
O8A Gd2A O7A 140.00(11) . . ?
O4A Gd2A O7A 73.94(11) . . ?
O8A Gd2A O25A 71.93(12) . . ?
O4A Gd2A O25A 89.23(12) . . ?
O7A Gd2A O25A 140.93(12) . . ?
O8A Gd2A O35A 83.70(14) . . ?
O4A Gd2A O35A 88.47(14) . . ?
O7A Gd2A O35A 78.87(12) . . ?
O25A Gd2A O35A 136.82(13) . . ?
O8A Gd2A O23A 89.05(15) . . ?
O4A Gd2A O23A 119.38(13) . . ?
O7A Gd2A O23A 81.83(14) . . ?
O25A Gd2A O23A 76.19(14) . . ?
O35A Gd2A O23A 139.77(13) . . ?
O8A Gd2A N5A 65.11(11) . . ?
O4A Gd2A N5A 145.90(12) . . ?
O7A Gd2A N5A 75.24(11) . . ?
O25A Gd2A N5A 124.32(12) . . ?
O35A Gd2A N5A 71.51(13) . . ?
O23A Gd2A N5A 69.58(11) . . ?
O8A Gd2A O5A 78.23(12) . . ?
O4A Gd2A O5A 63.92(11) . . ?
O7A Gd2A O5A 126.09(12) . . ?
O25A Gd2A O5A 72.03(14) . . ?
O35A Gd2A O5A 68.36(13) . . ?
O23A Gd2A O5A 148.05(14) . . ?
N5A Gd2A O5A 127.63(12) . . ?
O8A Gd2A O22A 129.51(13) . . ?
O4A Gd2A O22A 69.54(12) . . ?
O7A Gd2A O22A 70.56(11) . . ?
O25A Gd2A O22A 70.54(12) . . ?
O35A Gd2A O22A 146.10(13) . . ?
O23A Gd2A O22A 50.00(12) . . ?
N5A Gd2A O22A 112.88(11) . . ?
O5A Gd2A O22A 119.27(11) . . ?
O8A Gd2A N14A 110.27(16) . . ?
O4A Gd2A N14A 94.45(13) . . ?
O7A Gd2A N14A 74.29(15) . . ?
O25A Gd2A N14A 72.15(15) . . ?
O35A Gd2A N14A 150.99(14) . . ?
O23A Gd2A N14A 24.97(13) . . ?
N5A Gd2A N14A 90.97(12) . . ?
O5A Gd2A N14A 137.99(13) . . ?
O22A Gd2A N14A 25.04(12) . . ?
O8A Gd2A Mn2A 175.99(10) . . ?
O4A Gd2A Mn2A 37.56(7) . . ?
O7A Gd2A Mn2A 38.77(8) . . ?
O25A Gd2A Mn2A 111.05(8) . . ?
O35A Gd2A Mn2A 92.31(11) . . ?
O23A Gd2A Mn2A 94.26(11) . . ?
N5A Gd2A Mn2A 113.99(8) . . ?
O5A Gd2A Mn2A 99.97(8) . . ?
O22A Gd2A Mn2A 54.50(8) . . ?
N14A Gd2A Mn2A 73.48(12) . . ?
O1A C2A C3A 123.8(4) . . ?
O1A C2A C7A 114.3(4) . . ?
C3A C2A C7A 121.9(4) . . ?
C9A N2A N1A 110.1(4) . . ?
C9A N2A Mn2A 117.1(3) . . ?
N1A N2A Mn2A 132.2(3) . . ?
C7A O2A Mn1A 121.1(3) . 2_556 ?
C7A O2A Gd1A 138.0(3) . . ?
Mn1A O2A Gd1A 100.31(12) 2_556 . ?
O13A Gd3A O9A 142.66(12) . . ?
O13A Gd3A O12A 140.23(11) . . ?
O9A Gd3A O12A 72.60(11) . . ?
O13A Gd3A O31A 82.48(16) . . ?
O9A Gd3A O31A 89.60(17) . . ?
O12A Gd3A O31A 79.89(15) . . ?
O13A Gd3A O30A 72.18(11) . . ?
O9A Gd3A O30A 88.68(11) . . ?
O12A Gd3A O30A 141.47(11) . . ?
O31A Gd3A O30A 134.63(16) . . ?
O13A Gd3A O28A 86.50(13) . . ?
O9A Gd3A O28A 120.76(11) . . ?
O12A Gd3A O28A 84.20(11) . . ?
O31A Gd3A O28A 139.34(17) . . ?
O30A Gd3A O28A 76.88(11) . . ?
O13A Gd3A N9A 65.41(11) . . ?
O9A Gd3A N9A 144.90(12) . . ?
O12A Gd3A N9A 75.20(11) . . ?
O31A Gd3A N9A 71.19(18) . . ?
O30A Gd3A N9A 125.82(12) . . ?
O28A Gd3A N9A 68.63(12) . . ?
O13A Gd3A O27A 127.28(12) . . ?
O9A Gd3A O27A 70.64(11) . . ?
O12A Gd3A O27A 72.21(10) . . ?
O31A Gd3A O27A 149.47(14) . . ?
O30A Gd3A O27A 69.84(10) . . ?
O28A Gd3A O27A 50.33(10) . . ?
N9A Gd3A O27A 112.05(11) . . ?
O13A Gd3A O10A 79.91(12) . . ?
O9A Gd3A O10A 63.36(11) . . ?
O12A Gd3A O10A 124.54(11) . . ?
O31A Gd3A O10A 68.27(17) . . ?
O30A Gd3A O10A 70.61(12) . . ?
O28A Gd3A O10A 147.24(12) . . ?
N9A Gd3A O10A 129.14(12) . . ?
O27A Gd3A O10A 118.54(11) . . ?
O13A Gd3A N15A 107.67(13) . . ?
O9A Gd3A N15A 95.77(11) . . ?
O12A Gd3A N15A 76.62(11) . . ?
O31A Gd3A N15A 153.05(16) . . ?
O30A Gd3A N15A 72.04(11) . . ?
O28A Gd3A N15A 25.07(10) . . ?
N9A Gd3A N15A 90.05(12) . . ?
O27A Gd3A N15A 25.27(10) . . ?
O10A Gd3A N15A 137.16(12) . . ?
O13A Gd3A Mn3A 176.66(10) . . ?
O9A Gd3A Mn3A 36.87(8) . . ?
O12A Gd3A Mn3A 38.40(7) . . ?
O31A Gd3A Mn3A 94.18(13) . . ?
O30A Gd3A Mn3A 110.45(7) . . ?
O28A Gd3A Mn3A 96.08(8) . . ?
N9A Gd3A Mn3A 113.54(8) . . ?
O27A Gd3A Mn3A 56.03(7) . . ?
O10A Gd3A Mn3A 98.90(8) . . ?
N15A Gd3A Mn3A 75.34(8) . . ?
C4A C3A C2A 119.3(4) . . ?
C4A C3A H3AA 120.4 . . ?
C2A C3A H3AA 120.4 . . ?
C9A N3A N4A 118.5(4) . . ?
C9A N3A H3AB 120.8 . . ?
N4A N3A H3AB 120.8 . . ?
C9A O3A Gd1A 121.7(3) . . ?
C16A O4A Mn2A 134.9(3) . . ?
C16A O4A Gd2A 123.3(3) . . ?
Mn2A O4A Gd2A 101.66(12) . . ?
C5A C4A C3A 120.5(5) . . ?
C5A C4A H4AA 119.7 . . ?
C3A C4A H4AA 119.7 . . ?
C10A N4A N3A 117.2(5) . . ?
C10A N4A Mn2A 131.9(4) . . ?
N3A N4A Mn2A 110.0(3) . . ?
C15A O5A C17A 117.3(4) . . ?
C15A O5A Gd2A 115.0(3) . . ?
C17A O5A Gd2A 126.9(3) . . ?
C25A N5A N6A 115.0(4) . . ?
C25A N5A Gd2A 129.0(3) . . ?
N6A N5A Gd2A 115.6(2) . . ?
C4A C5A C6A 121.3(4) . . ?
C4A C5A H5AA 119.3 . . ?
C6A C5A H5AA 119.3 . . ?
C19A O6A C18A 117.1(4) . . ?
C19A O6A Mn2A 117.5(3) . . ?
C18A O6A Mn2A 125.2(3) . . ?
C5A C6A C7A 119.4(4) . . ?
C5A C6A C8A 115.6(4) . . ?
C7A C6A C8A 125.0(4) . . ?
C26A N6A N5A 110.3(4) . . ?
C26A N6A Mn3A 117.5(3) . . ?
N5A N6A Mn3A 131.9(3) . . ?
C24A O7A Mn2A 122.5(3) . . ?
C24A O7A Gd2A 136.9(3) . . ?
Mn2A O7A Gd2A 100.16(12) . . ?
O2A C7A C2A 118.1(4) . . ?
O2A C7A C6A 124.3(4) . . ?
C2A C7A C6A 117.6(4) . . ?
C26A N7A N8A 116.6(4) . . ?
C26A N7A H7A 121.7 . . ?
N8A N7A H7A 121.7 . . ?
C26A O8A Gd2A 120.7(3) . . ?
N1A C8A C6A 127.7(4) . . ?
N1A C8A H8AA 116.2 . . ?
C6A C8A H8AA 116.2 . . ?
C27A N8A N7A 116.1(4) . . ?
C27A N8A Mn3A 130.6(3) . . ?
N7A N8A Mn3A 112.8(3) . . ?
C33A O9A Mn3A 132.4(3) . . ?
C33A O9A Gd3A 124.8(3) . . ?
Mn3A O9A Gd3A 102.76(13) . . ?
O3A C9A N2A 127.2(5) . . ?
O3A C9A N3A 116.3(5) . . ?
N2A C9A N3A 116.5(5) . . ?
C42A N9A N10A 114.4(4) . . ?
C42A N9A Gd3A 129.7(3) . . ?
N10A N9A Gd3A 115.8(2) . . ?
C32A O10A C34A 116.6(4) . . ?
C32A O10A Gd3A 116.3(3) . . ?
C34A O10A Gd3A 125.6(3) . . ?
N4A C10A C11A 123.5(5) . . ?
N4A C10A H10C 118.2 . . ?
C11A C10A H10C 118.2 . . ?
C43A N10A N9A 110.0(4) . . ?
C43A N10A Mn1A 117.1(3) . . ?
N9A N10A Mn1A 132.4(3) . . ?
C36A O11A C35A 117.9(4) . . ?
C36A O11A Mn3A 116.7(3) . . ?
C35A O11A Mn3A 124.9(3) . . ?
C16A C11A C12A 119.3(5) . . ?
C16A C11A C10A 123.6(4) . . ?
C12A C11A C10A 117.0(5) . . ?
C43A N11A N12A 116.9(4) . . ?
C43A N11A H11A 121.6 . . ?
N12A N11A H11A 121.6 . . ?
C41A O12A Mn3A 122.1(3) . . ?
C41A O12A Gd3A 137.0(3) . . ?
Mn3A O12A Gd3A 100.82(12) . . ?
C13A C12A C11A 121.7(6) . . ?
C13A C12A H12C 119.2 . . ?
C11A C12A H12C 119.2 . . ?
C44A N12A N11A 117.3(4) . . ?
C44A N12A Mn1A 130.0(4) . . ?
N11A N12A Mn1A 111.5(3) . . ?
C43A O13A Gd3A 121.8(3) . . ?
C12A C13A C14A 119.4(5) . . ?
C12A C13A H13A 120.3 . . ?
C14A C13A H13A 120.3 . . ?
O18A N13A O16A 121.8(6) . . ?
O18A N13A O17A 121.1(6) . . ?
O16A N13A O17A 117.1(5) . . ?
O18A N13A Gd1A 176.9(5) . . ?
O16A N13A Gd1A 56.1(3) . . ?
O17A N13A Gd1A 61.0(3) . . ?
C50A O14A Mn1A 131.8(4) . . ?
C50A O14A Gd1A 125.3(4) . 2_556 ?
Mn1A O14A Gd1A 102.89(14) . 2_556 ?
C15A C14A C13A 119.6(5) . . ?
C15A C14A H14A 120.2 . . ?
C13A C14A H14A 120.2 . . ?
O24A N14A O22A 119.4(5) . . ?
O24A N14A O23A 123.4(5) . . ?
O22A N14A O23A 117.2(4) . . ?
O24A N14A Gd2A 176.3(6) . . ?
O22A N14A Gd2A 60.8(2) . . ?
O23A N14A Gd2A 56.4(2) . . ?
C49A O15A C51A 116.5(6) . . ?
C49A O15A Gd1A 115.7(3) . 2_556 ?
C51A O15A Gd1A 127.6(5) . 2_556 ?
O29A N15A O28A 121.5(4) . . ?
O29A N15A O27A 121.6(4) . . ?
O28A N15A O27A 116.9(4) . . ?
O29A N15A Gd3A 177.9(3) . . ?
O28A N15A Gd3A 56.9(2) . . ?
O27A N15A Gd3A 60.0(2) . . ?
O5A C15A C14A 124.7(5) . . ?
O5A C15A C16A 113.4(4) . . ?
C14A C15A C16A 121.9(5) . . ?
N13A O16A Gd1A 98.9(4) . . ?
O4A C16A C11A 123.8(4) . . ?
O4A C16A C15A 118.2(4) . . ?
C11A C16A C15A 118.0(4) . . ?
N13A O17A Gd1A 93.6(3) . . ?
O5A C17A H17A 109.5 . . ?
O5A C17A H17B 109.5 . . ?
H17A C17A H17B 109.5 . . ?
O5A C17A H17C 109.5 . . ?
H17A C17A H17C 109.5 . . ?
H17B C17A H17C 109.5 . . ?
O6A C18A H18A 109.5 . . ?
O6A C18A H18B 109.5 . . ?
H18A C18A H18B 109.5 . . ?
O6A C18A H18C 109.5 . . ?
H18A C18A H18C 109.5 . . ?
H18B C18A H18C 109.5 . . ?
C52A O19A Gd1A 131.2(4) . . ?
C52A O19A H19O 109.5 . . ?
Gd1A O19A H19O 119.3 . . ?
O6A C19A C20A 124.0(4) . . ?
O6A C19A C24A 113.2(4) . . ?
C20A C19A C24A 122.8(4) . . ?
C59A O20A Gd1A 133.2(6) . . ?
C59A O20A H20O 109.5 . . ?
Gd1A O20A H20O 115.1 . . ?
C21A C20A C19A 119.1(4) . . ?
C21A C20A H20A 120.5 . . ?
C19A C20A H20A 120.5 . . ?
Mn2A O21A H21D 100(6) . . ?
Mn2A O21A H21E 154(6) . . ?
H21D O21A H21E 104.7(17) . . ?
C22A C21A C20A 119.4(4) . . ?
C22A C21A H21A 120.3 . . ?
C20A C21A H21A 120.3 . . ?
N14A O22A Gd2A 94.1(3) . . ?
C21A C22A C23A 122.5(4) . . ?
C21A C22A H22A 118.7 . . ?
C23A C22A H22A 118.7 . . ?
N14A O23A Gd2A 98.7(3) . . ?
C24A C23A C22A 118.4(4) . . ?
C24A C23A C25A 126.5(4) . . ?
C22A C23A C25A 115.1(4) . . ?
O7A C24A C19A 118.2(4) . . ?
O7A C24A C23A 124.1(4) . . ?
C19A C24A C23A 117.7(4) . . ?
C53A O25A Gd2A 131.8(3) . . ?
C53A O25A H25O 109.5 . . ?
Gd2A O25A H25O 116.7 . . ?
N5A C25A C23A 127.0(4) . . ?
N5A C25A H25A 116.5 . . ?
C23A C25A H25A 116.5 . . ?
C60A O26A Mn3A 131.1(6) . . ?
C60A O26A H26A 109.5 . . ?
Mn3A O26A H26A 81.4 . . ?
O26A C60A H60A 109.5 . . ?
O26A C60A H60B 109.5 . . ?
H60A C60A H60B 109.5 . . ?
O26A C60A H60C 109.5 . . ?
H60A C60A H60C 109.5 . . ?
H60B C60A H60C 109.5 . . ?
O8A C26A N6A 126.5(4) . . ?
O8A C26A N7A 116.0(4) . . ?
N6A C26A N7A 117.5(4) . . ?
N15A O27A Gd3A 94.7(2) . . ?
N8A C27A C28A 123.5(4) . . ?
N8A C27A H27A 118.2 . . ?
C28A C27A H27A 118.2 . . ?
N15A O28A Gd3A 98.0(3) . . ?
C29A C28A C33A 120.2(4) . . ?
C29A C28A C27A 116.9(5) . . ?
C33A C28A C27A 122.4(4) . . ?
C30A C29A C28A 120.5(5) . . ?
C30A C29A H29A 119.7 . . ?
C28A C29A H29A 119.7 . . ?
C56A O30A Gd3A 129.2(3) . . ?
C56A O30A H30D 109.5 . . ?
Gd3A O30A H30D 115.0 . . ?
C29A C30A C31A 120.5(5) . . ?
C29A C30A H30A 119.8 . . ?
C31A C30A H30A 119.8 . . ?
C57A O31A Gd3A 134.8(5) . . ?
C57A O31A H31O 109.5 . . ?
Gd3A O31A H31O 113.0 . . ?
C32A C31A C30A 119.2(5) . . ?
C32A C31A H31A 120.4 . . ?
C30A C31A H31A 120.4 . . ?
O10A C32A C31A 124.5(4) . . ?
O10A C32A C33A 113.0(4) . . ?
C31A C32A C33A 122.5(5) . . ?
O9A C33A C32A 118.4(4) . . ?
O9A C33A C28A 124.5(4) . . ?
C32A C33A C28A 117.0(4) . . ?
O10A C34A H34A 109.5 . . ?
O10A C34A H34B 109.5 . . ?
H34A C34A H34B 109.5 . . ?
O10A C34A H34C 109.5 . . ?
H34A C34A H34C 109.5 . . ?
H34B C34A H34C 109.5 . . ?
O11A C35A H35A 109.5 . . ?
O11A C35A H35B 109.5 . . ?
H35A C35A H35B 109.5 . . ?
O11A C35A H35C 109.5 . . ?
H35A C35A H35C 109.5 . . ?
H35B C35A H35C 109.5 . . ?
C54A O35A Gd2A 133.1(4) . . ?
C54A O35A H35O 109.5 . . ?
Gd2A O35A H35O 105.2 . . ?
O11A C36A C37A 123.6(4) . . ?
O11A C36A C41A 114.0(4) . . ?
C37A C36A C41A 122.3(4) . . ?
C36A C37A C38A 119.7(4) . . ?
C36A C37A H37A 120.2 . . ?
C38A C37A H37A 120.2 . . ?
C39A C38A C37A 119.9(4) . . ?
C39A C38A H38A 120.0 . . ?
C37A C38A H38A 120.0 . . ?
C38A C39A C40A 121.2(4) . . ?
C38A C39A H39A 119.4 . . ?
C40A C39A H39A 119.4 . . ?
C41A C40A C39A 119.6(4) . . ?
C41A C40A C42A 125.2(4) . . ?
C39A C40A C42A 115.1(4) . . ?
O12A C41A C36A 117.5(4) . . ?
O12A C41A C40A 125.4(4) . . ?
C36A C41A C40A 117.1(4) . . ?
N9A C42A C40A 127.4(4) . . ?
N9A C42A H42A 116.3 . . ?
C40A C42A H42A 116.3 . . ?
O13A C43A N10A 126.8(4) . . ?
O13A C43A N11A 116.3(4) . . ?
N10A C43A N11A 116.9(4) . . ?
N12A C44A C45A 123.0(5) . . ?
N12A C44A H44A 118.5 . . ?
C45A C44A H44A 118.5 . . ?
C50A C45A C46A 117.9(6) . . ?
C50A C45A C44A 123.5(5) . . ?
C46A C45A C44A 118.2(6) . . ?
C47A C46A C45A 121.5(7) . . ?
C47A C46A H46A 119.2 . . ?
C45A C46A H46A 119.2 . . ?
C48A C47A C46A 121.0(7) . . ?
C48A C47A H47A 119.5 . . ?
C46A C47A H47A 119.5 . . ?
C47A C48A C49A 119.0(7) . . ?
C47A C48A H48A 120.5 . . ?
C49A C48A H48A 120.5 . . ?
O15A C49A C48A 124.6(6) . . ?
O15A C49A C50A 113.8(5) . . ?
C48A C49A C50A 121.4(7) . . ?
O14A C50A C45A 123.9(5) . . ?
O14A C50A C49A 117.0(6) . . ?
C45A C50A C49A 119.1(5) . . ?
O15A C51A H51A 109.5 . . ?
O15A C51A H51B 109.5 . . ?
H51A C51A H51B 109.5 . . ?
O15A C51A H51C 109.5 . . ?
H51A C51A H51C 109.5 . . ?
H51B C51A H51C 109.5 . . ?
O19A C52A H52A 109.5 . . ?
O19A C52A H52B 109.5 . . ?
H52A C52A H52B 109.5 . . ?
O19A C52A H52C 109.5 . . ?
H52A C52A H52C 109.5 . . ?
H52B C52A H52C 109.5 . . ?
O25A C53A H53A 109.5 . . ?
O25A C53A H53B 109.5 . . ?
H53A C53A H53B 109.5 . . ?
O25A C53A H53C 109.5 . . ?
H53A C53A H53C 109.5 . . ?
H53B C53A H53C 109.5 . . ?
O35A C54A H54A 109.5 . . ?
O35A C54A H54B 109.5 . . ?
H54A C54A H54B 109.5 . . ?
O35A C54A H54C 109.5 . . ?
H54A C54A H54C 109.5 . . ?
H54B C54A H54C 109.5 . . ?
O30A C56A H56A 109.5 . . ?
O30A C56A H56B 109.5 . . ?
H56A C56A H56B 109.5 . . ?
O30A C56A H56C 109.5 . . ?
H56A C56A H56C 109.5 . . ?
H56B C56A H56C 109.5 . . ?
O31A C57A H57A 109.5 . . ?
O31A C57A H57B 109.5 . . ?
H57A C57A H57B 109.5 . . ?
O31A C57A H57C 109.5 . . ?
H57A C57A H57C 109.5 . . ?
H57B C57A H57C 109.5 . . ?
O20A C59A H59A 109.5 . . ?
O20A C59A H59B 109.5 . . ?
H59A C59A H59B 109.5 . . ?
O20A C59A H59C 109.5 . . ?
H59A C59A H59C 109.5 . . ?
H59B C59A H59C 109.5 . . ?
O9A Mn3A O26A 93.7(2) . . ?
O9A Mn3A N6A 132.14(14) . . ?
O26A Mn3A N6A 118.3(2) . . ?
O9A Mn3A O12A 78.21(12) . . ?
O26A Mn3A O12A 110.3(2) . . ?
N6A Mn3A O12A 116.81(13) . . ?
O9A Mn3A N8A 77.13(13) . . ?
O26A Mn3A N8A 85.2(2) . . ?
N6A Mn3A N8A 71.75(14) . . ?
O12A Mn3A N8A 151.62(13) . . ?
O9A Mn3A O11A 140.85(13) . . ?
O26A Mn3A O11A 78.73(19) . . ?
N6A Mn3A O11A 83.14(13) . . ?
O12A Mn3A O11A 69.02(11) . . ?
N8A Mn3A O11A 138.95(13) . . ?
O9A Mn3A Gd3A 40.38(9) . . ?
O26A Mn3A Gd3A 116.8(2) . . ?
N6A Mn3A Gd3A 124.82(10) . . ?
O12A Mn3A Gd3A 40.78(8) . . ?
N8A Mn3A Gd3A 111.24(10) . . ?
O11A Mn3A Gd3A 109.73(8) . . ?
O4B Mn1B N2B 125.98(14) . . ?
O4B Mn1B O7B 77.89(12) . . ?
N2B Mn1B O7B 115.19(13) . . ?
O4B Mn1B O21B 83.59(13) . . ?
N2B Mn1B O21B 137.76(15) . . ?
O7B Mn1B O21B 98.82(14) . . ?
O4B Mn1B N4B 76.76(13) . . ?
N2B Mn1B N4B 71.79(14) . . ?
O7B Mn1B N4B 151.96(13) . . ?
O21B Mn1B N4B 90.10(15) . . ?
O4B Mn1B O6B 144.04(12) . . ?
N2B Mn1B O6B 83.96(13) . . ?
O7B Mn1B O6B 70.50(11) . . ?
O21B Mn1B O6B 84.71(13) . . ?
N4B Mn1B O6B 137.15(13) . . ?
O4B Mn1B Gd1B 39.65(9) . . ?
N2B Mn1B Gd1B 120.40(10) . . ?
O7B Mn1B Gd1B 40.56(8) . . ?
O21B Mn1B Gd1B 101.65(10) . . ?
N4B Mn1B Gd1B 111.66(10) . . ?
O6B Mn1B Gd1B 111.05(8) . . ?
O3B Gd3B O14B 142.43(12) . 2_666 ?
O3B Gd3B O2B 140.10(11) . . ?
O14B Gd3B O2B 72.17(11) 2_666 . ?
O3B Gd3B O20B 84.88(13) . . ?
O14B Gd3B O20B 86.70(13) 2_666 . ?
O2B Gd3B O20B 77.04(12) . . ?
O3B Gd3B O16B 73.93(13) . . ?
O14B Gd3B O16B 87.83(13) 2_666 . ?
O2B Gd3B O16B 140.65(13) . . ?
O20B Gd3B O16B 136.64(14) . . ?
O3B Gd3B O18B 88.32(12) . . ?
O14B Gd3B O18B 120.59(12) 2_666 . ?
O2B Gd3B O18B 82.77(11) . . ?
O20B Gd3B O18B 138.83(13) . . ?
O16B Gd3B O18B 78.85(13) . . ?
O3B Gd3B N1B 65.09(11) . . ?
O14B Gd3B N1B 144.11(12) 2_666 . ?
O2B Gd3B N1B 75.43(11) . . ?
O20B Gd3B N1B 71.23(13) . . ?
O16B Gd3B N1B 127.65(13) . . ?
O18B Gd3B N1B 69.11(11) . . ?
O3B Gd3B O17B 128.69(12) . . ?
O14B Gd3B O17B 70.57(11) 2_666 . ?
O2B Gd3B O17B 71.77(11) . . ?
O20B Gd3B O17B 145.69(12) . . ?
O16B Gd3B O17B 69.67(13) . . ?
O18B Gd3B O17B 50.42(11) . . ?
N1B Gd3B O17B 113.12(11) . . ?
O3B Gd3B O15B 79.91(12) . 2_666 ?
O14B Gd3B O15B 63.03(12) 2_666 2_666 ?
O2B Gd3B O15B 123.40(12) . 2_666 ?
O20B Gd3B O15B 67.97(14) . 2_666 ?
O16B Gd3B O15B 71.28(14) . 2_666 ?
O18B Gd3B O15B 149.88(12) . 2_666 ?
N1B Gd3B O15B 127.72(12) . 2_666 ?
O17B Gd3B O15B 119.06(12) . 2_666 ?
O3B Gd3B N13B 109.17(12) . . ?
O14B Gd3B N13B 95.71(12) 2_666 . ?
O2B Gd3B N13B 75.90(12) . . ?
O20B Gd3B N13B 150.62(13) . . ?
O16B Gd3B N13B 72.74(13) . . ?
O18B Gd3B N13B 25.07(11) . . ?
N1B Gd3B N13B 90.97(12) . . ?
O17B Gd3B N13B 25.34(11) . . ?
O15B Gd3B N13B 138.45(13) 2_666 . ?
O3B Gd3B Mn3B 175.08(9) . 2_666 ?
O14B Gd3B Mn3B 36.61(8) 2_666 2_666 ?
O2B Gd3B Mn3B 38.04(7) . 2_666 ?
O20B Gd3B Mn3B 90.21(10) . 2_666 ?
O16B Gd3B Mn3B 109.78(10) . 2_666 ?
O18B Gd3B Mn3B 95.53(8) . 2_666 ?
N1B Gd3B Mn3B 113.45(8) . 2_666 ?
O17B Gd3B Mn3B 56.21(8) . 2_666 ?
O15B Gd3B Mn3B 98.08(8) 2_666 2_666 ?
N13B Gd3B Mn3B 75.32(9) . 2_666 ?
O1B C1B H1BA 109.5 . . ?
O1B C1B H1BB 109.5 . . ?
H1BA C1B H1BB 109.5 . . ?
O1B C1B H1BC 109.5 . . ?
H1BA C1B H1BC 109.5 . . ?
H1BB C1B H1BC 109.5 . . ?
C8B N1B N2B 113.9(4) . . ?
C8B N1B Gd3B 129.6(3) . . ?
N2B N1B Gd3B 116.4(2) . . ?
C2B O1B C1B 117.6(4) . . ?
C2B O1B Mn3B 117.1(3) . 2_666 ?
C1B O1B Mn3B 124.8(3) . 2_666 ?
O9B Mn2B O29B 92.5(2) . . ?
O9B Mn2B O12B 79.61(12) . . ?
O29B Mn2B O12B 107.9(2) . . ?
O9B Mn2B N6B 133.47(15) . . ?
O29B Mn2B N6B 117.8(2) . . ?
O12B Mn2B N6B 117.98(13) . . ?
O9B Mn2B N8B 77.16(15) . . ?
O29B Mn2B N8B 85.0(2) . . ?
O12B Mn2B N8B 153.87(15) . . ?
N6B Mn2B N8B 71.88(15) . . ?
O9B Mn2B O11B 142.56(13) . . ?
O29B Mn2B O11B 77.96(18) . . ?
O12B Mn2B O11B 69.50(11) . . ?
N6B Mn2B O11B 81.25(14) . . ?
N8B Mn2B O11B 136.45(15) . . ?
O9B Mn2B Gd2B 41.13(9) . . ?
O29B Mn2B Gd2B 114.9(2) . . ?
O12B Mn2B Gd2B 41.45(8) . . ?
N6B Mn2B Gd2B 127.22(11) . . ?
N8B Mn2B Gd2B 112.65(12) . . ?
O11B Mn2B Gd2B 110.89(8) . . ?
O8B Gd1B O4B 141.90(12) . . ?
O8B Gd1B O7B 139.99(12) . . ?
O4B Gd1B O7B 72.50(11) . . ?
O8B Gd1B O27B 73.99(13) . . ?
O4B Gd1B O27B 87.21(14) . . ?
O7B Gd1B O27B 141.29(12) . . ?
O8B Gd1B O28B 81.72(14) . . ?
O4B Gd1B O28B 89.90(13) . . ?
O7B Gd1B O28B 78.26(12) . . ?
O27B Gd1B O28B 135.64(14) . . ?
O8B Gd1B O24B 87.05(14) . . ?
O4B Gd1B O24B 121.23(12) . . ?
O7B Gd1B O24B 85.58(13) . . ?
O27B Gd1B O24B 77.17(16) . . ?
O28B Gd1B O24B 138.56(13) . . ?
O8B Gd1B N5B 65.26(12) . . ?
O4B Gd1B N5B 144.37(12) . . ?
O7B Gd1B N5B 75.26(11) . . ?
O27B Gd1B N5B 128.08(15) . . ?
O28B Gd1B N5B 68.86(13) . . ?
O24B Gd1B N5B 70.20(13) . . ?
O8B Gd1B O25B 128.66(13) . . ?
O4B Gd1B O25B 71.12(12) . . ?
O7B Gd1B O25B 72.13(11) . . ?
O27B Gd1B O25B 70.18(13) . . ?
O28B Gd1B O25B 148.42(13) . . ?
O24B Gd1B O25B 50.20(13) . . ?
N5B Gd1B O25B 112.60(12) . . ?
O8B Gd1B O5B 78.97(12) . . ?
O4B Gd1B O5B 63.59(11) . . ?
O7B Gd1B O5B 122.95(12) . . ?
O27B Gd1B O5B 71.71(14) . . ?
O28B Gd1B O5B 67.52(12) . . ?
O24B Gd1B O5B 148.32(13) . . ?
N5B Gd1B O5B 126.38(12) . . ?
O25B Gd1B O5B 120.94(11) . . ?
O8B Gd1B N14B 108.31(15) . . ?
O4B Gd1B N14B 96.38(13) . . ?
O7B Gd1B N14B 77.77(13) . . ?
O27B Gd1B N14B 72.04(14) . . ?
O28B Gd1B N14B 152.06(13) . . ?
O24B Gd1B N14B 24.89(13) . . ?
N5B Gd1B N14B 91.23(13) . . ?
O25B Gd1B N14B 25.31(13) . . ?
O5B Gd1B N14B 139.08(12) . . ?
O8B Gd1B Mn1B 173.79(10) . . ?
O4B Gd1B Mn1B 36.88(7) . . ?
O7B Gd1B Mn1B 37.72(8) . . ?
O27B Gd1B Mn1B 110.59(10) . . ?
O28B Gd1B Mn1B 92.09(9) . . ?
O24B Gd1B Mn1B 97.98(10) . . ?
N5B Gd1B Mn1B 112.98(8) . . ?
O25B Gd1B Mn1B 57.52(9) . . ?
O5B Gd1B Mn1B 98.28(8) . . ?
N14B Gd1B Mn1B 77.44(10) . . ?
O1B C2B C3B 123.9(4) . . ?
O1B C2B C7B 113.8(4) . . ?
C3B C2B C7B 122.3(4) . . ?
C9B N2B N1B 109.7(4) . . ?
C9B N2B Mn1B 117.5(3) . . ?
N1B N2B Mn1B 132.7(3) . . ?
C7B O2B Mn3B 122.5(3) . 2_666 ?
C7B O2B Gd3B 136.4(3) . . ?
Mn3B O2B Gd3B 101.09(12) 2_666 . ?
O14B Mn3B O34B 95.96(15) . . ?
O14B Mn3B N10B 131.12(14) . . ?
O34B Mn3B N10B 117.40(16) . . ?
O14B Mn3B O2B 78.48(12) . 2_666 ?
O34B Mn3B O2B 111.88(14) . 2_666 ?
N10B Mn3B O2B 115.56(13) . 2_666 ?
O14B Mn3B N12B 77.31(14) . . ?
O34B Mn3B N12B 85.55(16) . . ?
N10B Mn3B N12B 71.33(15) . . ?
O2B Mn3B N12B 151.46(14) 2_666 . ?
O14B Mn3B O1B 140.63(13) . 2_666 ?
O34B Mn3B O1B 76.62(14) . 2_666 ?
N10B Mn3B O1B 84.33(13) . 2_666 ?
O2B Mn3B O1B 69.23(11) 2_666 2_666 ?
N12B Mn3B O1B 138.77(14) . 2_666 ?
O14B Mn3B Gd3B 40.38(9) . 2_666 ?
O34B Mn3B Gd3B 119.03(12) . 2_666 ?
N10B Mn3B Gd3B 123.54(10) . 2_666 ?
O2B Mn3B Gd3B 40.88(8) 2_666 2_666 ?
N12B Mn3B Gd3B 111.21(11) . 2_666 ?
O1B Mn3B Gd3B 109.95(8) 2_666 2_666 ?
O13B Gd2B O9B 143.36(12) . . ?
O13B Gd2B O12B 139.58(11) . . ?
O9B Gd2B O12B 73.00(11) . . ?
O13B Gd2B O35B 84.35(15) . . ?
O9B Gd2B O35B 87.78(16) . . ?
O12B Gd2B O35B 79.70(13) . . ?
O13B Gd2B O33B 71.56(13) . . ?
O9B Gd2B O33B 90.01(13) . . ?
O12B Gd2B O33B 141.25(13) . . ?
O35B Gd2B O33B 135.41(15) . . ?
O13B Gd2B O31B 89.47(14) . . ?
O9B Gd2B O31B 117.65(12) . . ?
O12B Gd2B O31B 80.54(13) . . ?
O35B Gd2B O31B 141.08(14) . . ?
O33B Gd2B O31B 77.07(14) . . ?
O13B Gd2B N9B 65.30(11) . . ?
O9B Gd2B N9B 144.72(12) . . ?
O12B Gd2B N9B 74.55(11) . . ?
O35B Gd2B N9B 73.09(15) . . ?
O33B Gd2B N9B 124.47(12) . . ?
O31B Gd2B N9B 69.46(12) . . ?
O13B Gd2B O10B 80.50(13) . . ?
O9B Gd2B O10B 63.49(12) . . ?
O12B Gd2B O10B 125.29(12) . . ?
O35B Gd2B O10B 67.56(14) . . ?
O33B Gd2B O10B 71.74(14) . . ?
O31B Gd2B O10B 148.81(13) . . ?
N9B Gd2B O10B 129.66(12) . . ?
O13B Gd2B O30B 129.14(13) . . ?
O9B Gd2B O30B 67.93(12) . . ?
O12B Gd2B O30B 71.13(11) . . ?
O35B Gd2B O30B 146.21(14) . . ?
O33B Gd2B O30B 70.23(13) . . ?
O31B Gd2B O30B 50.16(11) . . ?
N9B Gd2B O30B 113.52(11) . . ?
O10B Gd2B O30B 116.70(12) . . ?
O13B Gd2B N15B 110.50(15) . . ?
O9B Gd2B N15B 92.82(13) . . ?
O12B Gd2B N15B 73.53(13) . . ?
O35B Gd2B N15B 151.76(14) . . ?
O33B Gd2B N15B 72.83(14) . . ?
O31B Gd2B N15B 24.96(12) . . ?
N9B Gd2B N15B 90.99(12) . . ?
O10B Gd2B N15B 136.82(13) . . ?
O30B Gd2B N15B 25.23(12) . . ?
O13B Gd2B Mn2B 177.00(9) . . ?
O9B Gd2B Mn2B 37.27(8) . . ?
O12B Gd2B Mn2B 38.36(7) . . ?
O35B Gd2B Mn2B 92.86(12) . . ?
O33B Gd2B Mn2B 111.31(9) . . ?
O31B Gd2B Mn2B 92.03(10) . . ?
N9B Gd2B Mn2B 112.85(8) . . ?
O10B Gd2B Mn2B 99.47(9) . . ?
O30B Gd2B Mn2B 53.56(9) . . ?
N15B Gd2B Mn2B 71.59(11) . . ?
C2B C3B C4B 119.3(4) . . ?
C2B C3B H3BA 120.4 . . ?
C4B C3B H3BA 120.4 . . ?
N4B N3B C9B 116.5(4) . . ?
N4B N3B H3BB 121.7 . . ?
C9B N3B H3BB 121.7 . . ?
C9B O3B Gd3B 121.1(3) . . ?
C16B O4B Mn1B 129.2(3) . . ?
C16B O4B Gd1B 126.5(3) . . ?
Mn1B O4B Gd1B 103.46(13) . . ?
C5B C4B C3B 120.0(4) . . ?
C5B C4B H4BA 120.0 . . ?
C3B C4B H4BA 120.0 . . ?
C10B N4B N3B 117.2(4) . . ?
C10B N4B Mn1B 130.0(3) . . ?
N3B N4B Mn1B 112.3(3) . . ?
C15B O5B C17B 117.3(4) . . ?
C15B O5B Gd1B 116.9(3) . . ?
C17B O5B Gd1B 125.7(3) . . ?
C4B C5B C6B 121.3(4) . . ?
C4B C5B H5BA 119.4 . . ?
C6B C5B H5BA 119.4 . . ?
C25B N5B N6B 114.7(4) . . ?
C25B N5B Gd1B 129.3(3) . . ?
N6B N5B Gd1B 115.9(2) . . ?
C19B O6B C18B 116.9(3) . . ?
C19B O6B Mn1B 115.5(2) . . ?
C18B O6B Mn1B 124.6(3) . . ?
C7B C6B C5B 119.3(4) . . ?
C7B C6B C8B 126.0(4) . . ?
C5B C6B C8B 114.7(4) . . ?
C26B N6B N5B 110.1(4) . . ?
C26B N6B Mn2B 116.3(3) . . ?
N5B N6B Mn2B 132.8(3) . . ?
C24B O7B Mn1B 121.3(3) . . ?
C24B O7B Gd1B 137.0(3) . . ?
Mn1B O7B Gd1B 101.72(12) . . ?
O2B C7B C6B 125.3(4) . . ?
O2B C7B C2B 117.0(4) . . ?
C6B C7B C2B 117.7(4) . . ?
C26B N7B N8B 118.0(4) . . ?
C26B N7B H7B 121.0 . . ?
N8B N7B H7B 121.0 . . ?
C26B O8B Gd1B 121.2(3) . . ?
N1B C8B C6B 126.9(4) . . ?
N1B C8B H8BA 116.6 . . ?
C6B C8B H8BA 116.6 . . ?
C27B N8B N7B 117.0(4) . . ?
C27B N8B Mn2B 131.7(4) . . ?
N7B N8B Mn2B 110.5(3) . . ?
C33B O9B Mn2B 134.6(3) . . ?
C33B O9B Gd2B 123.5(3) . . ?
Mn2B O9B Gd2B 101.61(12) . . ?
O3B C9B N2B 127.6(4) . . ?
O3B C9B N3B 116.0(4) . . ?
N2B C9B N3B 116.4(4) . . ?
C42B N9B N10B 114.1(4) . . ?
C42B N9B Gd2B 129.8(3) . . ?
N10B N9B Gd2B 115.9(2) . . ?
C32B O10B C34B 117.1(4) . . ?
C32B O10B Gd2B 115.4(3) . . ?
C34B O10B Gd2B 124.8(4) . . ?
N4B C10B C11B 123.3(5) . . ?
N4B C10B H10D 118.4 . . ?
C11B C10B H10D 118.4 . . ?
C43B N10B N9B 110.3(4) . . ?
C43B N10B Mn3B 118.0(3) . . ?
N9B N10B Mn3B 131.4(3) . . ?
C36B O11B C35B 116.6(4) . . ?
C36B O11B Mn2B 116.9(3) . . ?
C35B O11B Mn2B 126.1(3) . . ?
C16B C11B C12B 120.1(4) . . ?
C16B C11B C10B 122.0(4) . . ?
C12B C11B C10B 117.6(4) . . ?
C43B N11B N12B 117.2(4) . . ?
C43B N11B H11B 121.4 . . ?
N12B N11B H11B 121.4 . . ?
C41B O12B Mn2B 121.9(3) . . ?
C41B O12B Gd2B 137.9(3) . . ?
Mn2B O12B Gd2B 100.19(11) . . ?
C13B C12B C11B 120.4(5) . . ?
C13B C12B H12D 119.8 . . ?
C11B C12B H12D 119.8 . . ?
C44B N12B N11B 117.2(4) . . ?
C44B N12B Mn3B 130.2(4) . . ?
N11B N12B Mn3B 111.9(3) . . ?
C43B O13B Gd2B 121.2(3) . . ?
C12B C13B C14B 120.8(4) . . ?
C12B C13B H13B 119.6 . . ?
C14B C13B H13B 119.6 . . ?
O19B N13B O18B 122.1(4) . . ?
O19B N13B O17B 121.3(4) . . ?
O18B N13B O17B 116.6(4) . . ?
O19B N13B Gd3B 178.6(4) . . ?
O18B N13B Gd3B 56.9(2) . . ?
O17B N13B Gd3B 59.7(2) . . ?
C50B O14B Mn3B 132.1(3) . . ?
C50B O14B Gd3B 124.9(3) . 2_666 ?
Mn3B O14B Gd3B 103.02(13) . 2_666 ?
C15B C14B C13B 119.3(4) . . ?
C15B C14B H14B 120.4 . . ?
C13B C14B H14B 120.4 . . ?
O26B N14B O24B 122.1(5) . . ?
O26B N14B O25B 122.3(5) . . ?
O24B N14B O25B 115.6(5) . . ?
O26B N14B Gd1B 178.0(5) . . ?
O24B N14B Gd1B 56.2(3) . . ?
O25B N14B Gd1B 59.5(3) . . ?
C49B O15B C51B 117.0(4) . . ?
C49B O15B Gd3B 116.8(3) . 2_666 ?
C51B O15B Gd3B 125.7(3) . 2_666 ?
O5B C15B C14B 125.0(4) . . ?
O5B C15B C16B 113.2(4) . . ?
C14B C15B C16B 121.8(5) . . ?
O32B N15B O31B 123.3(5) . . ?
O32B N15B O30B 119.6(5) . . ?
O31B N15B O30B 117.1(4) . . ?
O32B N15B Gd2B 174.6(4) . . ?
O31B N15B Gd2B 56.7(2) . . ?
O30B N15B Gd2B 60.6(2) . . ?
C52B O16B Gd3B 130.2(5) . . ?
C52B O16B H16O 109.5 . . ?
Gd3B O16B H16O 109.2 . . ?
O23B N16B O22B 119.6(6) . . ?
O23B N16B O21B 119.8(6) . . ?
O22B N16B O21B 120.6(5) . . ?
O4B C16B C11B 124.2(4) . . ?
O4B C16B C15B 118.2(4) . . ?
C11B C16B C15B 117.5(4) . . ?
N13B O17B Gd3B 95.0(3) . . ?
O5B C17B H17D 109.5 . . ?
O5B C17B H17E 109.5 . . ?
H17D C17B H17E 109.5 . . ?
O5B C17B H17F 109.5 . . ?
H17D C17B H17F 109.5 . . ?
H17E C17B H17F 109.5 . . ?
N13B O18B Gd3B 98.0(3) . . ?
O6B C18B H18D 109.5 . . ?
O6B C18B H18E 109.5 . . ?
H18D C18B H18E 109.5 . . ?
O6B C18B H18F 109.5 . . ?
H18D C18B H18F 109.5 . . ?
H18E C18B H18F 109.5 . . ?
C20B C19B O6B 122.8(4) . . ?
C20B C19B C24B 122.5(4) . . ?
O6B C19B C24B 114.7(4) . . ?
C53B O20B Gd3B 127.1(4) . . ?
C53B O20B H20E 109.5 . . ?
Gd3B O20B H20E 120.9 . . ?
C19B C20B C21B 118.8(4) . . ?
C19B C20B H20B 120.6 . . ?
C21B C20B H20B 120.6 . . ?
N16B O21B Mn1B 108.5(3) . . ?
C22B C21B C20B 120.3(4) . . ?
C22B C21B H21B 119.8 . . ?
C20B C21B H21B 119.8 . . ?
C21B C22B C23B 121.8(5) . . ?
C21B C22B H22B 119.1 . . ?
C23B C22B H22B 119.1 . . ?
C24B C23B C22B 119.0(4) . . ?
C24B C23B C25B 126.1(4) . . ?
C22B C23B C25B 114.9(4) . . ?
N14B O24B Gd1B 98.9(3) . . ?
O7B C24B C23B 124.6(4) . . ?
O7B C24B C19B 117.9(4) . . ?
C23B C24B C19B 117.5(4) . . ?
N14B O25B Gd1B 95.2(3) . . ?
N5B C25B C23B 127.7(4) . . ?
N5B C25B H25B 116.1 . . ?
C23B C25B H25B 116.1 . . ?
O8B C26B N6B 127.3(4) . . ?
O8B C26B N7B 116.4(4) . . ?
N6B C26B N7B 116.3(5) . . ?
C56B O27B Gd1B 137.4(4) . . ?
C56B O27B H27D 109.5 . . ?
Gd1B O27B H27D 113.1 . . ?
N8B C27B C28B 124.0(5) . . ?
N8B C27B H27B 118.0 . . ?
C28B C27B H27B 118.0 . . ?
C54B O28B Gd1B 129.8(4) . . ?
C54B O28B H28O 109.5 . . ?
Gd1B O28B H28O 119.7 . . ?
C33B C28B C29B 119.1(5) . . ?
C33B C28B C27B 122.8(4) . . ?
C29B C28B C27B 118.0(5) . . ?
Mn2B O29B H29O 117(6) . . ?
Mn2B O29B H29P 132(6) . . ?
H29O O29B H29P 103.0(16) . . ?
C30B C29B C28B 121.9(6) . . ?
C30B C29B H29B 119.1 . . ?
C28B C29B H29B 119.1 . . ?
N15B O30B Gd2B 94.2(3) . . ?
C29B C30B C31B 119.4(5) . . ?
C29B C30B H30B 120.3 . . ?
C31B C30B H30B 120.3 . . ?
N15B O31B Gd2B 98.4(3) . . ?
C32B C31B C30B 119.7(5) . . ?
C32B C31B H31B 120.1 . . ?
C30B C31B H31B 120.1 . . ?
C31B C32B O10B 124.5(5) . . ?
C31B C32B C33B 122.2(5) . . ?
O10B C32B C33B 113.4(4) . . ?
C55B O33B Gd2B 131.6(4) . . ?
C55B O33B H33D 109.5 . . ?
Gd2B O33B H33D 117.4 . . ?
O9B C33B C28B 124.0(5) . . ?
O9B C33B C32B 118.3(4) . . ?
C28B C33B C32B 117.6(4) . . ?
O10B C34B H34D 109.5 . . ?
O10B C34B H34E 109.5 . . ?
H34D C34B H34E 109.5 . . ?
O10B C34B H34F 109.5 . . ?
H34D C34B H34F 109.5 . . ?
H34E C34B H34F 109.5 . . ?
Mn3B O34B H34J 132(4) . . ?
Mn3B O34B H34K 118(4) . . ?
H34J O34B H34K 105.0(16) . . ?
O11B C35B H35D 109.5 . . ?
O11B C35B H35E 109.5 . . ?
H35D C35B H35E 109.5 . . ?
O11B C35B H35F 109.5 . . ?
H35D C35B H35F 109.5 . . ?
H35E C35B H35F 109.5 . . ?
C57B O35B Gd2B 134.2(6) . . ?
C57B O35B H35J 109.5 . . ?
Gd2B O35B H35J 102.0 . . ?
C37B C36B O11B 123.4(4) . . ?
C37B C36B C41B 123.9(4) . . ?
O11B C36B C41B 112.7(4) . . ?
C36B C37B C38B 118.1(4) . . ?
C36B C37B H37B 120.9 . . ?
C38B C37B H37B 120.9 . . ?
C39B C38B C37B 120.3(4) . . ?
C39B C38B H38B 119.9 . . ?
C37B C38B H38B 119.9 . . ?
C38B C39B C40B 121.7(4) . . ?
C38B C39B H39B 119.1 . . ?
C40B C39B H39B 119.1 . . ?
C39B C40B C41B 119.2(4) . . ?
C39B C40B C42B 115.4(4) . . ?
C41B C40B C42B 125.4(4) . . ?
O12B C41B C40B 124.4(4) . . ?
O12B C41B C36B 118.9(4) . . ?
C40B C41B C36B 116.8(4) . . ?
N9B C42B C40B 127.5(4) . . ?
N9B C42B H42B 116.2 . . ?
C40B C42B H42B 116.2 . . ?
O13B C43B N10B 127.0(4) . . ?
O13B C43B N11B 116.6(4) . . ?
N10B C43B N11B 116.5(4) . . ?
N12B C44B C45B 122.9(5) . . ?
N12B C44B H44B 118.6 . . ?
C45B C44B H44B 118.6 . . ?
C50B C45B C46B 119.8(6) . . ?
C50B C45B C44B 123.5(5) . . ?
C46B C45B C44B 116.3(6) . . ?
C47B C46B C45B 120.5(7) . . ?
C47B C46B H46B 119.7 . . ?
C45B C46B H46B 119.7 . . ?
C46B C47B C48B 120.4(6) . . ?
C46B C47B H47B 119.8 . . ?
C48B C47B H47B 119.8 . . ?
C49B C48B C47B 120.2(6) . . ?
C49B C48B H48B 119.9 . . ?
C47B C48B H48B 119.9 . . ?
O15B C49B C48B 126.1(5) . . ?
O15B C49B C50B 113.0(5) . . ?
C48B C49B C50B 120.8(6) . . ?
O14B C50B C45B 123.9(5) . . ?
O14B C50B C49B 117.8(5) . . ?
C45B C50B C49B 118.3(5) . . ?
O15B C51B H51D 109.5 . . ?
O15B C51B H51E 109.5 . . ?
H51D C51B H51E 109.5 . . ?
O15B C51B H51F 109.5 . . ?
H51D C51B H51F 109.5 . . ?
H51E C51B H51F 109.5 . . ?
O16B C52B H52D 109.5 . . ?
O16B C52B H52E 109.5 . . ?
H52D C52B H52E 109.5 . . ?
O16B C52B H52F 109.5 . . ?
H52D C52B H52F 109.5 . . ?
H52E C52B H52F 109.5 . . ?
O20B C53B H53D 109.5 . . ?
O20B C53B H53E 109.5 . . ?
H53D C53B H53E 109.5 . . ?
O20B C53B H53F 109.5 . . ?
H53D C53B H53F 109.5 . . ?
H53E C53B H53F 109.5 . . ?
O28B C54B H54D 109.5 . . ?
O28B C54B H54E 109.5 . . ?
H54D C54B H54E 109.5 . . ?
O28B C54B H54F 109.5 . . ?
H54D C54B H54F 109.5 . . ?
H54E C54B H54F 109.5 . . ?
O33B C55B H55D 109.5 . . ?
O33B C55B H55E 109.5 . . ?
H55D C55B H55E 109.5 . . ?
O33B C55B H55F 109.5 . . ?
H55D C55B H55F 109.5 . . ?
H55E C55B H55F 109.5 . . ?
O27B C56B H56D 109.5 . . ?
O27B C56B H56E 109.5 . . ?
H56D C56B H56E 109.5 . . ?
O27B C56B H56F 109.5 . . ?
H56D C56B H56F 109.5 . . ?
H56E C56B H56F 109.5 . . ?
O35B C57B H57D 109.5 . . ?
O35B C57B H57E 109.5 . . ?
H57D C57B H57E 109.5 . . ?
O35B C57B H57F 109.5 . . ?
H57D C57B H57F 109.5 . . ?
H57E C57B H57F 109.5 . . ?
O4C Mn3C O21C 86.73(14) . . ?
O4C Mn3C O7C 80.22(13) . . ?
O21C Mn3C O7C 100.17(14) . . ?
O4C Mn3C N2C 134.76(14) . . ?
O21C Mn3C N2C 125.33(15) . . ?
O7C Mn3C N2C 117.79(13) . . ?
O4C Mn3C N4C 76.52(14) . . ?
O21C Mn3C N4C 92.47(15) . . ?
O7C Mn3C N4C 152.78(13) . . ?
N2C Mn3C N4C 71.64(14) . . ?
O4C Mn3C O6C 141.52(13) . . ?
O21C Mn3C O6C 76.29(14) . . ?
O7C Mn3C O6C 69.46(11) . . ?
N2C Mn3C O6C 81.79(13) . . ?
N4C Mn3C O6C 137.45(13) . . ?
O4C Mn3C Gd3C 40.85(9) . . ?
O21C Mn3C Gd3C 105.47(11) . . ?
O7C Mn3C Gd3C 41.96(8) . . ?
N2C Mn3C Gd3C 129.16(10) . . ?
N4C Mn3C Gd3C 111.42(10) . . ?
O6C Mn3C Gd3C 111.13(8) . . ?
O4C Mn3C H21F 87(2) . . ?
O21C Mn3C H21F 7(3) . . ?
O7C Mn3C H21F 107(3) . . ?
N2C Mn3C H21F 121(3) . . ?
N4C Mn3C H21F 86(3) . . ?
O6C Mn3C H21F 80(3) . . ?
Gd3C Mn3C H21F 110(3) . . ?
C8C N1C N2C 114.1(3) . . ?
C8C N1C Gd2C 129.8(3) . . ?
N2C N1C Gd2C 115.7(3) . . ?
O3C Gd2C O14C 140.42(11) . 2_777 ?
O3C Gd2C O2C 139.25(11) . . ?
O14C Gd2C O2C 72.07(10) 2_777 . ?
O3C Gd2C O20C 79.10(12) . . ?
O14C Gd2C O20C 86.93(12) 2_777 . ?
O2C Gd2C O20C 79.87(11) . . ?
O3C Gd2C O16C 77.16(13) . . ?
O14C Gd2C O16C 88.33(12) 2_777 . ?
O2C Gd2C O16C 139.05(13) . . ?
O20C Gd2C O16C 135.94(13) . . ?
O3C Gd2C O18C 88.76(14) . . ?
O14C Gd2C O18C 123.41(14) 2_777 . ?
O2C Gd2C O18C 85.40(13) . . ?
O20C Gd2C O18C 139.96(13) . . ?
O16C Gd2C O18C 75.85(14) . . ?
O3C Gd2C N1C 65.27(12) . . ?
O14C Gd2C N1C 142.52(11) 2_777 . ?
O2C Gd2C N1C 74.87(11) . . ?
O20C Gd2C N1C 70.20(12) . . ?
O16C Gd2C N1C 128.79(13) . . ?
O18C Gd2C N1C 70.06(12) . . ?
O3C Gd2C O15C 76.06(11) . 2_777 ?
O14C Gd2C O15C 64.37(11) 2_777 2_777 ?
O2C Gd2C O15C 126.13(11) . 2_777 ?
O20C Gd2C O15C 68.05(12) . 2_777 ?
O16C Gd2C O15C 70.48(13) . 2_777 ?
O18C Gd2C O15C 145.31(13) . 2_777 ?
N1C Gd2C O15C 127.06(12) . 2_777 ?
O3C Gd2C O17C 131.10(13) . . ?
O14C Gd2C O17C 73.05(12) 2_777 . ?
O2C Gd2C O17C 71.62(12) . . ?
O20C Gd2C O17C 148.97(13) . . ?
O16C Gd2C O17C 68.32(13) . . ?
O18C Gd2C O17C 50.50(14) . . ?
N1C Gd2C O17C 112.37(12) . . ?
O15C Gd2C O17C 120.26(12) 2_777 . ?
O3C Gd2C N13C 111.45(14) . . ?
O14C Gd2C N13C 98.17(14) 2_777 . ?
O2C Gd2C N13C 75.69(13) . . ?
O20C Gd2C N13C 152.03(13) . . ?
O16C Gd2C N13C 71.92(14) . . ?
O18C Gd2C N13C 25.24(15) . . ?
N1C Gd2C N13C 90.26(13) . . ?
O15C Gd2C N13C 138.66(13) 2_777 . ?
O17C Gd2C N13C 25.37(14) . . ?
O3C Gd2C Mn2C 170.78(9) . 2_777 ?
O14C Gd2C Mn2C 36.74(8) 2_777 2_777 ?
O2C Gd2C Mn2C 37.64(7) . 2_777 ?
O20C Gd2C Mn2C 91.71(9) . 2_777 ?
O16C Gd2C Mn2C 109.57(10) . 2_777 ?
O18C Gd2C Mn2C 98.92(12) . 2_777 ?
N1C Gd2C Mn2C 112.49(8) . 2_777 ?
O15C Gd2C Mn2C 99.90(8) 2_777 2_777 ?
O17C Gd2C Mn2C 58.11(9) . 2_777 ?
N13C Gd2C Mn2C 77.13(12) . 2_777 ?
C2C O1C C1C 116.7(3) . . ?
C2C O1C Mn2C 115.8(2) . 2_777 ?
C1C O1C Mn2C 125.9(2) . 2_777 ?
O1C C1C H1CA 109.5 . . ?
O1C C1C H1CB 109.5 . . ?
H1CA C1C H1CB 109.5 . . ?
O1C C1C H1CC 109.5 . . ?
H1CA C1C H1CC 109.5 . . ?
H1CB C1C H1CC 109.5 . . ?
O9C Mn1C N6C 126.24(16) . . ?
O9C Mn1C O12C 78.31(12) . . ?
N6C Mn1C O12C 114.18(14) . . ?
O9C Mn1C O3 84.0(3) . . ?
N6C Mn1C O3 140.5(3) . . ?
O12C Mn1C O3 94.8(3) . . ?
O9C Mn1C N8C 76.24(15) . . ?
N6C Mn1C N8C 71.11(16) . . ?
O12C Mn1C N8C 150.62(14) . . ?
O3 Mn1C N8C 96.9(3) . . ?
O9C Mn1C O11C 143.43(14) . . ?
N6C Mn1C O11C 83.95(14) . . ?
O12C Mn1C O11C 69.56(12) . . ?
O3 Mn1C O11C 81.8(2) . . ?
N8C Mn1C O11C 138.84(14) . . ?
O9C Mn1C Gd1C 39.74(9) . . ?
N6C Mn1C Gd1C 120.47(12) . . ?
O12C Mn1C Gd1C 40.67(8) . . ?
O3 Mn1C Gd1C 99.0(3) . . ?
N8C Mn1C Gd1C 110.62(11) . . ?
O11C Mn1C Gd1C 110.19(9) . . ?
C9C N2C N1C 110.5(4) . . ?
C9C N2C Mn3C 118.2(3) . . ?
N1C N2C Mn3C 131.2(3) . . ?
O8C Gd3C O4C 141.15(13) . . ?
O8C Gd3C O7C 139.80(13) . . ?
O4C Gd3C O7C 74.33(12) . . ?
O8C Gd3C O33C 72.16(17) . . ?
O4C Gd3C O33C 89.91(16) . . ?
O7C Gd3C O33C 140.20(14) . . ?
O8C Gd3C O25C 83.85(17) . . ?
O4C Gd3C O25C 88.05(16) . . ?
O7C Gd3C O25C 78.57(13) . . ?
O33C Gd3C O25C 138.30(16) . . ?
O8C Gd3C O22C 91.17(14) . . ?
O4C Gd3C O22C 117.47(13) . . ?
O7C Gd3C O22C 80.86(13) . . ?
O33C Gd3C O22C 74.44(16) . . ?
O25C Gd3C O22C 141.09(15) . . ?
O8C Gd3C N5C 65.94(13) . . ?
O4C Gd3C N5C 146.19(13) . . ?
O7C Gd3C N5C 74.43(12) . . ?
O33C Gd3C N5C 122.78(17) . . ?
O25C Gd3C N5C 73.38(16) . . ?
O22C Gd3C N5C 69.43(13) . . ?
O8C Gd3C O5C 78.66(14) . . ?
O4C Gd3C O5C 63.28(12) . . ?
O7C Gd3C O5C 124.93(12) . . ?
O33C Gd3C O5C 75.01(15) . . ?
O25C Gd3C O5C 67.00(14) . . ?
O22C Gd3C O5C 149.45(14) . . ?
N5C Gd3C O5C 128.87(13) . . ?
O8C Gd3C O23C 131.73(13) . . ?
O4C Gd3C O23C 67.71(11) . . ?
O7C Gd3C O23C 69.63(11) . . ?
O33C Gd3C O23C 70.58(14) . . ?
O25C Gd3C O23C 143.96(14) . . ?
O22C Gd3C O23C 49.86(12) . . ?
N5C Gd3C O23C 112.24(12) . . ?
O5C Gd3C O23C 118.85(12) . . ?
O8C Gd3C N14C 112.35(15) . . ?
O4C Gd3C N14C 92.85(13) . . ?
O7C Gd3C N14C 73.19(13) . . ?
O33C Gd3C N14C 71.35(15) . . ?
O25C Gd3C N14C 150.35(14) . . ?
O22C Gd3C N14C 24.64(13) . . ?
N5C Gd3C N14C 90.27(13) . . ?
O5C Gd3C N14C 138.50(13) . . ?
O23C Gd3C N14C 25.24(12) . . ?
O8C Gd3C Mn3C 175.57(11) . . ?
O4C Gd3C Mn3C 38.01(8) . . ?
O7C Gd3C Mn3C 38.65(8) . . ?
O33C Gd3C Mn3C 111.33(13) . . ?
O25C Gd3C Mn3C 91.72(12) . . ?
O22C Gd3C Mn3C 92.42(10) . . ?
N5C Gd3C Mn3C 113.02(9) . . ?
O5C Gd3C Mn3C 99.43(9) . . ?
O23C Gd3C Mn3C 52.70(8) . . ?
N14C Gd3C Mn3C 71.74(10) . . ?
C7C O2C Mn2C 121.0(3) . 2_777 ?
C7C O2C Gd2C 137.1(3) . . ?
Mn2C O2C Gd2C 101.88(11) 2_777 . ?
O1C C2C C3C 122.5(4) . . ?
O1C C2C C7C 114.9(3) . . ?
C3C C2C C7C 122.6(4) . . ?
O14C Mn2C O2C 77.59(11) . 2_777 ?
O14C Mn2C N10C 128.70(14) . . ?
O2C Mn2C N10C 115.13(13) 2_777 . ?
O14C Mn2C N12C 76.77(13) . . ?
O2C Mn2C N12C 150.26(14) 2_777 . ?
N10C Mn2C N12C 71.32(14) . . ?
O14C Mn2C O12 83.89(12) . . ?
O2C Mn2C O12 93.16(12) 2_777 . ?
N10C Mn2C O12 139.29(15) . . ?
N12C Mn2C O12 98.83(14) . . ?
O14C Mn2C O1C 143.51(11) . 2_777 ?
O2C Mn2C O1C 70.05(11) 2_777 2_777 ?
N10C Mn2C O1C 81.59(13) . 2_777 ?
N12C Mn2C O1C 138.51(13) . 2_777 ?
O12 Mn2C O1C 81.54(12) . 2_777 ?
O14C Mn2C Gd2C 39.66(8) . 2_777 ?
O2C Mn2C Gd2C 40.48(8) 2_777 2_777 ?
N10C Mn2C Gd2C 121.73(11) . 2_777 ?
N12C Mn2C Gd2C 110.36(11) . 2_777 ?
O12 Mn2C Gd2C 98.88(9) . 2_777 ?
O1C Mn2C Gd2C 110.53(7) 2_777 2_777 ?
N4C N3C C9C 118.9(4) . . ?
N4C N3C H3CB 120.6 . . ?
C9C N3C H3CB 120.6 . . ?
O13C Gd1C O9C 142.21(12) . . ?
O13C Gd1C O12C 139.73(12) . . ?
O9C Gd1C O12C 72.85(11) . . ?
O13C Gd1C O31C 83.3(2) . . ?
O9C Gd1C O31C 123.80(19) . . ?
O12C Gd1C O31C 88.26(19) . . ?
O13C Gd1C O27C 77.8(3) . . ?
O9C Gd1C O27C 81.0(3) . . ?
O12C Gd1C O27C 139.6(3) . . ?
O31C Gd1C O27C 81.2(2) . . ?
O13C Gd1C O26C 83.66(15) . . ?
O9C Gd1C O26C 88.46(15) . . ?
O12C Gd1C O26C 77.35(13) . . ?
O31C Gd1C O26C 139.07(17) . . ?
O27C Gd1C O26C 132.9(2) . . ?
O13C Gd1C N9C 65.02(12) . . ?
O9C Gd1C N9C 144.18(13) . . ?
O12C Gd1C N9C 75.06(12) . . ?
O31C Gd1C N9C 70.08(17) . . ?
O27C Gd1C N9C 134.7(3) . . ?
O26C Gd1C N9C 69.23(14) . . ?
O13C Gd1C O30C 127.05(19) . . ?
O9C Gd1C O30C 72.37(16) . . ?
O12C Gd1C O30C 72.64(18) . . ?
O31C Gd1C O30C 51.4(2) . . ?
O27C Gd1C O30C 70.3(3) . . ?
O26C Gd1C O30C 147.98(19) . . ?
N9C Gd1C O30C 112.37(16) . . ?
O13C Gd1C O10C 79.44(12) . . ?
O9C Gd1C O10C 63.62(12) . . ?
O12C Gd1C O10C 122.68(12) . . ?
O31C Gd1C O10C 146.96(19) . . ?
O27C Gd1C O10C 67.8(2) . . ?
O26C Gd1C O10C 66.47(14) . . ?
N9C Gd1C O10C 125.19(13) . . ?
O30C Gd1C O10C 122.35(16) . . ?
O13C Gd1C N15C 106.7(2) . . ?
O9C Gd1C N15C 97.77(19) . . ?
O12C Gd1C N15C 77.85(19) . . ?
O31C Gd1C N15C 26.0(2) . . ?
O27C Gd1C N15C 75.8(2) . . ?
O26C Gd1C N15C 151.32(16) . . ?
N9C Gd1C N15C 90.59(16) . . ?
O30C Gd1C N15C 25.49(19) . . ?
O10C Gd1C N15C 140.87(15) . . ?
O13C Gd1C Mn1C 173.87(11) . . ?
O9C Gd1C Mn1C 36.53(8) . . ?
O12C Gd1C Mn1C 38.21(8) . . ?
O31C Gd1C Mn1C 101.77(18) . . ?
O27C Gd1C Mn1C 106.2(3) . . ?
O26C Gd1C Mn1C 90.23(11) . . ?
N9C Gd1C Mn1C 113.26(9) . . ?
O30C Gd1C Mn1C 59.06(15) . . ?
O10C Gd1C Mn1C 97.66(8) . . ?
N15C Gd1C Mn1C 78.97(18) . . ?
C9C O3C Gd2C 121.3(3) . . ?
C2C C3C C4C 119.2(4) . . ?
C2C C3C H3CA 120.4 . . ?
C4C C3C H3CA 120.4 . . ?
C5C C4C C3C 119.0(4) . . ?
C5C C4C H4CA 120.5 . . ?
C3C C4C H4CA 120.5 . . ?
C16C O4C Mn3C 133.3(3) . . ?
C16C O4C Gd3C 125.6(3) . . ?
Mn3C O4C Gd3C 101.14(13) . . ?
C10C N4C N3C 116.9(4) . . ?
C10C N4C Mn3C 130.5(3) . . ?
N3C N4C Mn3C 112.0(3) . . ?
C4C C5C C6C 122.4(4) . . ?
C4C C5C H5CA 118.8 . . ?
C6C C5C H5CA 118.8 . . ?
C15C O5C C17C 117.5(4) . . ?
C15C O5C Gd3C 116.0(3) . . ?
C17C O5C Gd3C 126.4(4) . . ?
C25C N5C N6C 114.6(4) . . ?
C25C N5C Gd3C 130.3(3) . . ?
N6C N5C Gd3C 115.1(3) . . ?
C7C C6C C5C 118.9(4) . . ?
C7C C6C C8C 126.5(4) . . ?
C5C C6C C8C 114.6(4) . . ?
C19C O6C C18C 116.8(4) . . ?
C19C O6C Mn3C 115.6(3) . . ?
C18C O6C Mn3C 126.5(3) . . ?
C26C N6C N5C 110.3(4) . . ?
C26C N6C Mn1C 117.1(3) . . ?
N5C N6C Mn1C 132.2(3) . . ?
O2C C7C C6C 124.0(4) . . ?
O2C C7C C2C 118.2(3) . . ?
C6C C7C C2C 117.8(3) . . ?
C24C O7C Mn3C 122.9(3) . . ?
C24C O7C Gd3C 137.6(3) . . ?
Mn3C O7C Gd3C 99.38(12) . . ?
C26C N7C N8C 116.1(4) . . ?
C26C N7C H7C 122.0 . . ?
N8C N7C H7C 122.0 . . ?
N1C C8C C6C 127.4(4) . . ?
N1C C8C H8CA 116.3 . . ?
C6C C8C H8CA 116.3 . . ?
C26C O8C Gd3C 120.4(3) . . ?
C27C N8C N7C 117.2(5) . . ?
C27C N8C Mn1C 130.1(4) . . ?
N7C N8C Mn1C 112.1(3) . . ?
O3C C9C N2C 126.9(4) . . ?
O3C C9C N3C 116.8(4) . . ?
N2C C9C N3C 116.3(4) . . ?
C33C O9C Mn1C 130.3(3) . . ?
C33C O9C Gd1C 125.5(3) . . ?
Mn1C O9C Gd1C 103.73(12) . . ?
C42C N9C N10C 113.5(4) . . ?
C42C N9C Gd1C 130.0(3) . . ?
N10C N9C Gd1C 116.4(2) . . ?
N4C C10C C11C 124.1(5) . . ?
N4C C10C H10E 117.9 . . ?
C11C C10C H10E 117.9 . . ?
C32C O10C C34C 116.6(4) . . ?
C32C O10C Gd1C 116.2(3) . . ?
C34C O10C Gd1C 127.1(3) . . ?
C43C N10C N9C 109.8(4) . . ?
C43C N10C Mn2C 116.0(3) . . ?
N9C N10C Mn2C 133.2(3) . . ?
C16C C11C C12C 119.5(5) . . ?
C16C C11C C10C 122.6(4) . . ?
C12C C11C C10C 117.8(5) . . ?
C36C O11C C35C 116.7(4) . . ?
C36C O11C Mn1C 117.3(3) . . ?
C35C O11C Mn1C 125.2(3) . . ?
C43C N11C N12C 117.5(4) . . ?
C43C N11C H11C 121.3 . . ?
N12C N11C H11C 121.3 . . ?
C13C C12C C11C 120.4(6) . . ?
C13C C12C H12E 119.8 . . ?
C11C C12C H12E 119.8 . . ?
C41C O12C Mn1C 121.2(3) . . ?
C41C O12C Gd1C 137.3(3) . . ?
Mn1C O12C Gd1C 101.12(12) . . ?
C44C N12C N11C 116.5(4) . . ?
C44C N12C Mn2C 132.4(3) . . ?
N11C N12C Mn2C 110.6(3) . . ?
C12C C13C C14C 121.2(5) . . ?
C12C C13C H13C 119.4 . . ?
C14C C13C H13C 119.4 . . ?
C43C O13C Gd1C 121.4(3) . . ?
O19C N13C O17C 120.8(6) . . ?
O19C N13C O18C 123.1(6) . . ?
O17C N13C O18C 116.1(5) . . ?
O19C N13C Gd2C 172.4(5) . . ?
O17C N13C Gd2C 60.5(3) . . ?
O18C N13C Gd2C 56.0(3) . . ?
C13C C14C C15C 118.6(5) . . ?
C13C C14C H14C 120.7 . . ?
C15C C14C H14C 120.7 . . ?
C50C O14C Mn2C 134.2(3) . . ?
C50C O14C Gd2C 121.6(3) . 2_777 ?
Mn2C O14C Gd2C 103.61(12) . 2_777 ?
O24C N14C O22C 122.7(5) . . ?
O24C N14C O23C 120.8(5) . . ?
O22C N14C O23C 116.5(4) . . ?
O24C N14C Gd3C 175.7(4) . . ?
O22C N14C Gd3C 55.8(2) . . ?
O23C N14C Gd3C 60.7(2) . . ?
O5C C15C C14C 125.3(5) . . ?
O5C C15C C16C 112.4(4) . . ?
C14C C15C C16C 122.3(5) . . ?
C49C O15C C51C 117.4(4) . . ?
C49C O15C Gd2C 114.3(3) . 2_777 ?
C51C O15C Gd2C 128.2(3) . 2_777 ?
O32C N15C O30C 121.7(8) . . ?
O32C N15C O31C 121.5(7) . . ?
O30C N15C O31C 116.7(7) . . ?
O32C N15C Gd1C 177.5(5) . . ?
O30C N15C Gd1C 60.6(4) . . ?
O31C N15C Gd1C 56.4(4) . . ?
O4C C16C C11C 123.5(4) . . ?
O4C C16C C15C 118.7(5) . . ?
C11C C16C C15C 117.7(4) . . ?
C52C O16C Gd2C 128.4(4) . . ?
C52C O16C H16C 109.5 . . ?
Gd2C O16C H16C 54.2 . . ?
O29C N16C O27C 141.4(13) . . ?
O29C N16C O28C 92.2(11) . . ?
O27C N16C O28C 125.6(11) . . ?
O5C C17C H17G 109.5 . . ?
O5C C17C H17H 109.5 . . ?
H17G C17C H17H 109.5 . . ?
O5C C17C H17I 109.5 . . ?
H17G C17C H17I 109.5 . . ?
H17H C17C H17I 109.5 . . ?
N13C O17C Gd2C 94.1(3) . . ?
O6C C18C H18G 109.5 . . ?
O6C C18C H18H 109.5 . . ?
H18G C18C H18H 109.5 . . ?
O6C C18C H18I 109.5 . . ?
H18G C18C H18I 109.5 . . ?
H18H C18C H18I 109.5 . . ?
N13C O18C Gd2C 98.7(3) . . ?
O6C C19C C20C 124.4(4) . . ?
O6C C19C C24C 114.0(4) . . ?
C20C C19C C24C 121.6(4) . . ?
C19C C20C C21C 119.7(5) . . ?
C19C C20C H20C 120.2 . . ?
C21C C20C H20C 120.2 . . ?
C55C O20C Gd2C 133(2) . . ?
C55D O20C Gd2C 129.9(16) . . ?
C55C O20C H20D 109.5 . . ?
Gd2C O20C H20D 116.5 . . ?
C22C C21C C20C 119.7(5) . . ?
C22C C21C H21C 120.2 . . ?
C20C C21C H21C 120.2 . . ?
Mn3C O21C H21F 11(5) . . ?
Mn3C O21C H21G 105(4) . . ?
H21F O21C H21G 106.4(17) . . ?
C21C C22C C23C 121.5(5) . . ?
C21C C22C H22C 119.2 . . ?
C23C C22C H22C 119.2 . . ?
N14C O22C Gd3C 99.5(3) . . ?
C24C C23C C22C 118.9(4) . . ?
C24C C23C C25C 126.6(4) . . ?
C22C C23C C25C 114.5(4) . . ?
N14C O23C Gd3C 94.0(3) . . ?
O7C C24C C23C 123.8(4) . . ?
O7C C24C C19C 117.8(4) . . ?
C23C C24C C19C 118.5(4) . . ?
N5C C25C C23C 126.8(5) . . ?
N5C C25C H25C 116.6 . . ?
C23C C25C H25C 116.6 . . ?
O8C C26C N6C 127.2(5) . . ?
O8C C26C N7C 115.1(5) . . ?
N6C C26C N7C 117.7(5) . . ?
N8C C27C C28C 123.0(5) . . ?
N8C C27C H27C 118.5 . . ?
C28C C27C H27C 118.5 . . ?
N16C O27C Gd1C 128.0(7) . . ?
C33C C28C C29C 119.8(5) . . ?
C33C C28C C27C 122.5(4) . . ?
C29C C28C C27C 117.5(5) . . ?
C30C C29C C28C 120.3(5) . . ?
C30C C29C H29C 119.9 . . ?
C28C C29C H29C 119.9 . . ?
C29C C30C C31C 120.7(5) . . ?
C29C C30C H30C 119.6 . . ?
C31C C30C H30C 119.6 . . ?
N15C O30C Gd1C 93.9(5) . . ?
C32C C31C C30C 118.9(5) . . ?
C32C C31C H31C 120.5 . . ?
C30C C31C H31C 120.5 . . ?
N15C O31C Gd1C 97.5(4) . . ?
C31C C32C O10C 124.0(5) . . ?
C31C C32C C33C 122.6(5) . . ?
O10C C32C C33C 113.4(4) . . ?
O9C C33C C28C 124.0(5) . . ?
O9C C33C C32C 118.4(4) . . ?
C28C C33C C32C 117.5(4) . . ?
C54C O33C Gd3C 132.5(5) . . ?
C54C O33C H33C 109.5 . . ?
Gd3C O33C H33C 116.4 . . ?
O10C C34C H34G 109.5 . . ?
O10C C34C H34H 109.5 . . ?
H34G C34C H34H 109.5 . . ?
O10C C34C H34I 109.5 . . ?
H34G C34C H34I 109.5 . . ?
H34H C34C H34I 109.5 . . ?
O11C C35C H35G 109.5 . . ?
O11C C35C H35H 109.5 . . ?
H35G C35C H35H 109.5 . . ?
O11C C35C H35I 109.5 . . ?
H35G C35C H35I 109.5 . . ?
H35H C35C H35I 109.5 . . ?
O11C C36C C37C 124.1(4) . . ?
O11C C36C C41C 113.5(4) . . ?
C37C C36C C41C 122.4(4) . . ?
C38C C37C C36C 119.7(5) . . ?
C38C C37C H37C 120.1 . . ?
C36C C37C H37C 120.1 . . ?
C37C C38C C39C 119.9(4) . . ?
C37C C38C H38C 120.1 . . ?
C39C C38C H38C 120.1 . . ?
C38C C39C C40C 121.2(5) . . ?
C38C C39C H39C 119.4 . . ?
C40C C39C H39C 119.4 . . ?
C39C C40C C41C 119.4(4) . . ?
C39C C40C C42C 114.3(4) . . ?
C41C C40C C42C 126.3(4) . . ?
O12C C41C C36C 118.3(4) . . ?
O12C C41C C40C 124.2(4) . . ?
C36C C41C C40C 117.4(4) . . ?
N9C C42C C40C 126.7(4) . . ?
N9C C42C H42C 116.7 . . ?
C40C C42C H42C 116.7 . . ?
O13C C43C N10C 126.7(5) . . ?
O13C C43C N11C 117.0(4) . . ?
N10C C43C N11C 116.3(4) . . ?
N12C C44C C45C 124.0(4) . . ?
N12C C44C H44C 118.0 . . ?
C45C C44C H44C 118.0 . . ?
C50C C45C C46C 118.8(5) . . ?
C50C C45C C44C 123.2(4) . . ?
C46C C45C C44C 117.4(4) . . ?
C47C C46C C45C 121.2(5) . . ?
C47C C46C H46C 119.4 . . ?
C45C C46C H46C 119.4 . . ?
C46C C47C C48C 120.8(5) . . ?
C46C C47C H47C 119.6 . . ?
C48C C47C H47C 119.6 . . ?
C49C C48C C47C 118.2(5) . . ?
C49C C48C H48C 120.9 . . ?
C47C C48C H48C 120.9 . . ?
C48C C49C O15C 123.3(5) . . ?
C48C C49C C50C 122.8(5) . . ?
O15C C49C C50C 113.9(4) . . ?
O14C C50C C49C 118.5(4) . . ?
O14C C50C C45C 123.2(4) . . ?
C49C C50C C45C 118.2(4) . . ?
O15C C51C H51G 109.5 . . ?
O15C C51C H51H 109.5 . . ?
H51G C51C H51H 109.5 . . ?
O15C C51C H51I 109.5 . . ?
H51G C51C H51I 109.5 . . ?
H51H C51C H51I 109.5 . . ?
O16C C52C H52G 109.5 . . ?
O16C C52C H52H 109.5 . . ?
H52G C52C H52H 109.5 . . ?
O16C C52C H52I 109.5 . . ?
H52G C52C H52I 109.5 . . ?
H52H C52C H52I 109.5 . . ?
O33C C54C H54G 109.5 . . ?
O33C C54C H54H 109.5 . . ?
H54G C54C H54H 109.5 . . ?
O33C C54C H54I 109.5 . . ?
H54G C54C H54I 109.5 . . ?
H54H C54C H54I 109.5 . . ?
O20C C55C H55A 109.5 . . ?
O20C C55C H55B 109.5 . . ?
H55A C55C H55B 109.5 . . ?
O20C C55C H55C 109.5 . . ?
H55A C55C H55C 109.5 . . ?
H55B C55C H55C 109.5 . . ?
O20C C55D H55G 109.5 . . ?
O20C C55D H55H 109.5 . . ?
H55G C55D H55H 109.5 . . ?
O20C C55D H55I 109.5 . . ?
H55G C55D H55I 109.5 . . ?
H55H C55D H55I 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
N1 O3 1.174(12) . ?
N1 O2 1.229(12) . ?
N1 O4 1.267(13) . ?
N2 O11 1.232(5) . ?
N2 O12 1.248(5) . ?
N2 O10 1.264(5) . ?
N3 O6 1.238(8) . ?
N3 O7 1.242(8) . ?
N3 O8 1.269(7) . ?
O3 Mn1C 2.208(8) . ?
N4 O16 1.244(8) . ?
N4 O14 1.260(8) . ?
N4 O15 1.269(7) . ?
N5 O18 1.225(7) . ?
N5 O19D 1.262(6) . ?
N5 O20D 1.263(7) . ?
N5 O20 1.266(7) . ?
N5 O18D 1.286(7) . ?
N5 O19 1.319(7) . ?
O12 Mn2C 2.328(4) . ?
C12 O26 1.353(10) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12F 0.9800 . ?
O18 Mn1A 2.182(12) . ?
O19D Mn1A 2.245(11) . ?
Mn2A O21A 2.109(5) . ?
Mn2A O4A 2.156(3) . ?
Mn2A N2A 2.196(4) . ?
Mn2A O7A 2.204(3) . ?
Mn2A N4A 2.294(5) . ?
Mn2A O6A 2.379(3) . ?
Mn2A Gd2A 3.4646(8) . ?
Gd1A O3A 2.294(4) . ?
Gd1A O14A 2.300(4) 2_556 ?
Gd1A O2A 2.318(3) . ?
Gd1A O19A 2.427(4) . ?
Gd1A O20A 2.431(5) . ?
Gd1A O16A 2.476(5) . ?
Gd1A N1A 2.536(4) . ?
Gd1A O15A 2.575(5) 2_556 ?
Gd1A O17A 2.583(4) . ?
Gd1A N13A 2.947(6) . ?
Gd1A Mn1A 3.4685(8) 2_556 ?
C1A O1A 1.439(6) . ?
C1A H1AA 0.9800 . ?
C1A H1AB 0.9800 . ?
C1A H1AC 0.9800 . ?
N1A C8A 1.279(6) . ?
N1A N2A 1.401(5) . ?
O1A C2A 1.373(6) . ?
O1A Mn1A 2.339(4) 2_556 ?
Mn1A O14A 2.133(4) . ?
Mn1A N10A 2.184(4) . ?
Mn1A O2A 2.199(3) 2_556 ?
Mn1A N12A 2.266(4) . ?
Gd2A O8A 2.286(3) . ?
Gd2A O4A 2.311(3) . ?
Gd2A O7A 2.313(3) . ?
Gd2A O25A 2.431(3) . ?
Gd2A O35A 2.451(4) . ?
Gd2A O23A 2.499(4) . ?
Gd2A N5A 2.524(4) . ?
Gd2A O5A 2.561(3) . ?
Gd2A O22A 2.597(3) . ?
Gd2A N14A 2.967(5) . ?
C2A C3A 1.393(7) . ?
C2A C7A 1.414(6) . ?
N2A C9A 1.330(7) . ?
O2A C7A 1.331(5) . ?
Gd3A O13A 2.280(3) . ?
Gd3A O9A 2.313(3) . ?
Gd3A O12A 2.316(3) . ?
Gd3A O31A 2.408(5) . ?
Gd3A O30A 2.456(3) . ?
Gd3A O28A 2.504(4) . ?
Gd3A N9A 2.528(4) . ?
Gd3A O27A 2.571(3) . ?
Gd3A O10A 2.581(4) . ?
Gd3A N15A 2.959(4) . ?
Gd3A Mn3A 3.4824(7) . ?
C3A C4A 1.385(7) . ?
C3A H3AA 0.9500 . ?
N3A C9A 1.363(7) . ?
N3A N4A 1.363(7) . ?
N3A H3AB 0.8800 . ?
O3A C9A 1.261(7) . ?
O4A C16A 1.328(5) . ?
C4A C5A 1.374(7) . ?
C4A H4AA 0.9500 . ?
N4A C10A 1.284(6) . ?
O5A C15A 1.383(6) . ?
O5A C17A 1.438(6) . ?
N5A C25A 1.283(5) . ?
N5A N6A 1.394(5) . ?
C5A C6A 1.405(6) . ?
C5A H5AA 0.9500 . ?
O6A C19A 1.374(6) . ?
O6A C18A 1.444(6) . ?
C6A C7A 1.418(6) . ?
C6A C8A 1.463(6) . ?
N6A C26A 1.343(6) . ?
N6A Mn3A 2.196(4) . ?
O7A C24A 1.340(5) . ?
N7A C26A 1.368(6) . ?
N7A N8A 1.377(5) . ?
N7A H7A 0.8800 . ?
O8A C26A 1.269(6) . ?
C8A H8AA 0.9500 . ?
N8A C27A 1.293(6) . ?
N8A Mn3A 2.270(4) . ?
O9A C33A 1.325(5) . ?
O9A Mn3A 2.142(3) . ?
N9A C42A 1.279(5) . ?
N9A N10A 1.408(5) . ?
O10A C32A 1.378(6) . ?
O10A C34A 1.439(6) . ?
C10A C11A 1.450(8) . ?
C10A H10C 0.9500 . ?
N10A C43A 1.346(6) . ?
O11A C36A 1.371(6) . ?
O11A C35A 1.439(6) . ?
O11A Mn3A 2.356(3) . ?
C11A C16A 1.395(7) . ?
C11A C12A 1.415(7) . ?
N11A C43A 1.365(6) . ?
N11A N12A 1.380(6) . ?
N11A H11A 0.8800 . ?
O12A C41A 1.328(5) . ?
O12A Mn3A 2.202(3) . ?
C12A C13A 1.371(9) . ?
C12A H12C 0.9500 . ?
N12A C44A 1.285(6) . ?
O13A C43A 1.269(6) . ?
C13A C14A 1.391(9) . ?
C13A H13A 0.9500 . ?
N13A O18A 1.217(8) . ?
N13A O16A 1.259(7) . ?
N13A O17A 1.266(7) . ?
O14A C50A 1.331(6) . ?
C14A C15A 1.386(6) . ?
C14A H14A 0.9500 . ?
N14A O24A 1.212(6) . ?
N14A O22A 1.259(6) . ?
N14A O23A 1.267(6) . ?
O15A C49A 1.383(9) . ?
O15A C51A 1.441(7) . ?
N15A O29A 1.221(6) . ?
N15A O28A 1.266(5) . ?
N15A O27A 1.268(5) . ?
C15A C16A 1.410(7) . ?
C17A H17A 0.9800 . ?
C17A H17B 0.9800 . ?
C17A H17C 0.9800 . ?
C18A H18A 0.9800 . ?
C18A H18B 0.9800 . ?
C18A H18C 0.9800 . ?
O19A C52A 1.394(11) . ?
O19A H19O 0.8400 . ?
C19A C20A 1.389(6) . ?
C19A C24A 1.408(6) . ?
O20A C59A 1.274(9) . ?
O20A H20O 0.8400 . ?
C20A C21A 1.385(7) . ?
C20A H20A 0.9500 . ?
O21A H21D 0.850(10) . ?
O21A H21E 0.851(10) . ?
C21A C22A 1.377(7) . ?
C21A H21A 0.9500 . ?
C22A C23A 1.412(6) . ?
C22A H22A 0.9500 . ?
C23A C24A 1.411(6) . ?
C23A C25A 1.452(6) . ?
O25A C53A 1.406(6) . ?
O25A H25O 0.8400 . ?
C25A H25A 0.9500 . ?
O26A C60A 1.318(11) . ?
O26A Mn3A 2.147(6) . ?
O26A H26A 0.8400 . ?
C60A H60A 0.9800 . ?
C60A H60B 0.9800 . ?
C60A H60C 0.9800 . ?
C27A C28A 1.443(7) . ?
C27A H27A 0.9500 . ?
C28A C29A 1.411(7) . ?
C28A C33A 1.413(7) . ?
C29A C30A 1.374(8) . ?
C29A H29A 0.9500 . ?
O30A C56A 1.438(5) . ?
O30A H30D 0.8400 . ?
C30A C31A 1.391(8) . ?
C30A H30A 0.9500 . ?
O31A C57A 1.191(8) . ?
O31A H31O 0.8400 . ?
C31A C32A 1.384(7) . ?
C31A H31A 0.9500 . ?
C32A C33A 1.408(6) . ?
C34A H34A 0.9800 . ?
C34A H34B 0.9800 . ?
C34A H34C 0.9800 . ?
C35A H35A 0.9800 . ?
C35A H35B 0.9800 . ?
C35A H35C 0.9800 . ?
O35A C54A 1.435(9) . ?
O35A H35O 0.8400 . ?
C36A C37A 1.383(7) . ?
C36A C41A 1.412(6) . ?
C37A C38A 1.391(8) . ?
C37A H37A 0.9500 . ?
C38A C39A 1.367(7) . ?
C38A H38A 0.9500 . ?
C39A C40A 1.420(6) . ?
C39A H39A 0.9500 . ?
C40A C41A 1.412(6) . ?
C40A C42A 1.460(6) . ?
C42A H42A 0.9500 . ?
C44A C45A 1.433(8) . ?
C44A H44A 0.9500 . ?
C45A C50A 1.397(9) . ?
C45A C46A 1.412(8) . ?
C46A C47A 1.369(11) . ?
C46A H46A 0.9500 . ?
C47A C48A 1.367(13) . ?
C47A H47A 0.9500 . ?
C48A C49A 1.385(9) . ?
C48A H48A 0.9500 . ?
C49A C50A 1.409(8) . ?
C51A H51A 0.9800 . ?
C51A H51B 0.9800 . ?
C51A H51C 0.9800 . ?
C52A H52A 0.9800 . ?
C52A H52B 0.9800 . ?
C52A H52C 0.9800 . ?
C53A H53A 0.9800 . ?
C53A H53B 0.9800 . ?
C53A H53C 0.9800 . ?
C54A H54A 0.9800 . ?
C54A H54B 0.9800 . ?
C54A H54C 0.9800 . ?
C56A H56A 0.9800 . ?
C56A H56B 0.9800 . ?
C56A H56C 0.9800 . ?
C57A H57A 0.9800 . ?
C57A H57B 0.9800 . ?
C57A H57C 0.9800 . ?
C59A H59A 0.9800 . ?
C59A H59B 0.9800 . ?
C59A H59C 0.9800 . ?
Mn1B O4B 2.168(3) . ?
Mn1B N2B 2.192(4) . ?
Mn1B O7B 2.195(3) . ?
Mn1B O21B 2.217(4) . ?
Mn1B N4B 2.248(4) . ?
Mn1B O6B 2.343(3) . ?
Mn1B Gd1B 3.5128(7) . ?
Gd3B O3B 2.296(3) . ?
Gd3B O14B 2.318(3) 2_666 ?
Gd3B O2B 2.325(3) . ?
Gd3B O20B 2.422(4) . ?
Gd3B O16B 2.438(4) . ?
Gd3B O18B 2.494(4) . ?
Gd3B N1B 2.533(4) . ?
Gd3B O17B 2.553(4) . ?
Gd3B O15B 2.594(4) 2_666 ?
Gd3B N13B 2.947(4) . ?
Gd3B Mn3B 3.4867(7) 2_666 ?
C1B O1B 1.438(5) . ?
C1B H1BA 0.9800 . ?
C1B H1BB 0.9800 . ?
C1B H1BC 0.9800 . ?
N1B C8B 1.288(6) . ?
N1B N2B 1.404(5) . ?
O1B C2B 1.373(5) . ?
O1B Mn3B 2.337(3) 2_666 ?
Mn2B O9B 2.138(3) . ?
Mn2B O29B 2.154(5) . ?
Mn2B O12B 2.180(3) . ?
Mn2B N6B 2.192(4) . ?
Mn2B N8B 2.255(4) . ?
Mn2B O11B 2.353(4) . ?
Mn2B Gd2B 3.4578(8) . ?
Gd1B O8B 2.303(4) . ?
Gd1B O4B 2.305(3) . ?
Gd1B O7B 2.333(3) . ?
Gd1B O27B 2.431(4) . ?
Gd1B O28B 2.449(4) . ?
Gd1B O24B 2.503(4) . ?
Gd1B N5B 2.532(4) . ?
Gd1B O25B 2.574(4) . ?
Gd1B O5B 2.586(4) . ?
Gd1B N14B 2.976(5) . ?
C2B C3B 1.382(6) . ?
C2B C7B 1.413(6) . ?
N2B C9B 1.337(6) . ?
O2B C7B 1.335(5) . ?
O2B Mn3B 2.189(3) 2_666 ?
Mn3B O14B 2.134(3) . ?
Mn3B O34B 2.154(4) . ?
Mn3B N10B 2.188(4) . ?
Mn3B N12B 2.269(4) . ?
Gd2B O13B 2.296(4) . ?
Gd2B O9B 2.322(3) . ?
Gd2B O12B 2.326(3) . ?
Gd2B O35B 2.427(4) . ?
Gd2B O33B 2.438(3) . ?
Gd2B O31B 2.502(4) . ?
Gd2B N9B 2.520(4) . ?
Gd2B O10B 2.584(3) . ?
Gd2B O30B 2.586(3) . ?
Gd2B N15B 2.962(5) . ?
C3B C4B 1.393(7) . ?
C3B H3BA 0.9500 . ?
N3B N4B 1.375(6) . ?
N3B C9B 1.378(6) . ?
N3B H3BB 0.8800 . ?
O3B C9B 1.273(6) . ?
O4B C16B 1.318(5) . ?
C4B C5B 1.375(6) . ?
C4B H4BA 0.9500 . ?
N4B C10B 1.281(6) . ?
O5B C15B 1.372(6) . ?
O5B C17B 1.439(6) . ?
C5B C6B 1.415(6) . ?
C5B H5BA 0.9500 . ?
N5B C25B 1.281(6) . ?
N5B N6B 1.412(5) . ?
O6B C19B 1.388(5) . ?
O6B C18B 1.440(5) . ?
C6B C7B 1.407(6) . ?
C6B C8B 1.461(6) . ?
N6B C26B 1.339(6) . ?
O7B C24B 1.330(5) . ?
N7B C26B 1.361(6) . ?
N7B N8B 1.380(6) . ?
N7B H7B 0.8800 . ?
O8B C26B 1.267(6) . ?
C8B H8BA 0.9500 . ?
N8B C27B 1.295(6) . ?
O9B C33B 1.327(5) . ?
N9B C42B 1.278(5) . ?
N9B N10B 1.407(5) . ?
O10B C32B 1.373(6) . ?
O10B C34B 1.419(8) . ?
C10B C11B 1.457(6) . ?
C10B H10D 0.9500 . ?
N10B C43B 1.339(6) . ?
O11B C36B 1.378(5) . ?
O11B C35B 1.454(6) . ?
C11B C16B 1.406(7) . ?
C11B C12B 1.414(6) . ?
N11B C43B 1.360(6) . ?
N11B N12B 1.378(6) . ?
N11B H11B 0.8800 . ?
O12B C41B 1.325(5) . ?
C12B C13B 1.366(7) . ?
C12B H12D 0.9500 . ?
N12B C44B 1.280(7) . ?
O13B C43B 1.265(6) . ?
C13B C14B 1.399(7) . ?
C13B H13B 0.9500 . ?
N13B O19B 1.215(6) . ?
N13B O18B 1.261(5) . ?
N13B O17B 1.266(5) . ?
O14B C50B 1.329(6) . ?
C14B C15B 1.377(6) . ?
C14B H14B 0.9500 . ?
N14B O26B 1.212(6) . ?
N14B O24B 1.268(6) . ?
N14B O25B 1.278(6) . ?
O15B C49B 1.360(7) . ?
O15B C51B 1.436(6) . ?
C15B C16B 1.421(6) . ?
N15B O32B 1.225(6) . ?
N15B O31B 1.263(6) . ?
N15B O30B 1.266(5) . ?
O16B C52B 1.420(9) . ?
O16B H16O 0.8400 . ?
N16B O23B 1.215(7) . ?
N16B O22B 1.220(7) . ?
N16B O21B 1.270(6) . ?
C17B H17D 0.9800 . ?
C17B H17E 0.9800 . ?
C17B H17F 0.9800 . ?
C18B H18D 0.9800 . ?
C18B H18E 0.9800 . ?
C18B H18F 0.9800 . ?
C19B C20B 1.387(6) . ?
C19B C24B 1.418(6) . ?
O20B C53B 1.416(7) . ?
O20B H20E 0.8400 . ?
C20B C21B 1.397(7) . ?
C20B H20B 0.9500 . ?
C21B C22B 1.365(6) . ?
C21B H21B 0.9500 . ?
C22B C23B 1.417(6) . ?
C22B H22B 0.9500 . ?
C23B C24B 1.412(6) . ?
C23B C25B 1.455(6) . ?
C25B H25B 0.9500 . ?
O27B C56B 1.367(9) . ?
O27B H27D 0.8400 . ?
C27B C28B 1.436(8) . ?
C27B H27B 0.9500 . ?
O28B C54B 1.400(9) . ?
O28B H28O 0.8400 . ?
C28B C33B 1.402(7) . ?
C28B C29B 1.405(7) . ?
O29B H29O 0.854(10) . ?
O29B H29P 0.864(10) . ?
C29B C30B 1.367(9) . ?
C29B H29B 0.9500 . ?
C30B C31B 1.394(9) . ?
C30B H30B 0.9500 . ?
C31B C32B 1.364(6) . ?
C31B H31B 0.9500 . ?
C32B C33B 1.414(7) . ?
O33B C55B 1.421(6) . ?
O33B H33D 0.8400 . ?
C34B H34D 0.9800 . ?
C34B H34E 0.9800 . ?
C34B H34F 0.9800 . ?
O34B H34J 0.851(10) . ?
O34B H34K 0.850(10) . ?
C35B H35D 0.9800 . ?
C35B H35E 0.9800 . ?
C35B H35F 0.9800 . ?
O35B C57B 1.396(11) . ?
O35B H35J 0.8400 . ?
C36B C37B 1.368(6) . ?
C36B C41B 1.413(6) . ?
C37B C38B 1.400(6) . ?
C37B H37B 0.9500 . ?
C38B C39B 1.367(6) . ?
C38B H38B 0.9500 . ?
C39B C40B 1.409(6) . ?
C39B H39B 0.9500 . ?
C40B C41B 1.409(6) . ?
C40B C42B 1.457(6) . ?
C42B H42B 0.9500 . ?
C44B C45B 1.458(8) . ?
C44B H44B 0.9500 . ?
C45B C50B 1.383(8) . ?
C45B C46B 1.431(8) . ?
C46B C47B 1.354(11) . ?
C46B H46B 0.9500 . ?
C47B C48B 1.392(11) . ?
C47B H47B 0.9500 . ?
C48B C49B 1.375(8) . ?
C48B H48B 0.9500 . ?
C49B C50B 1.425(7) . ?
C51B H51D 0.9800 . ?
C51B H51E 0.9800 . ?
C51B H51F 0.9800 . ?
C52B H52D 0.9800 . ?
C52B H52E 0.9800 . ?
C52B H52F 0.9800 . ?
C53B H53D 0.9800 . ?
C53B H53E 0.9800 . ?
C53B H53F 0.9800 . ?
C54B H54D 0.9800 . ?
C54B H54E 0.9800 . ?
C54B H54F 0.9800 . ?
C55B H55D 0.9800 . ?
C55B H55E 0.9800 . ?
C55B H55F 0.9800 . ?
C56B H56D 0.9800 . ?
C56B H56E 0.9800 . ?
C56B H56F 0.9800 . ?
C57B H57D 0.9800 . ?
C57B H57E 0.9800 . ?
C57B H57F 0.9800 . ?
Mn3C O4C 2.151(3) . ?
Mn3C O21C 2.168(4) . ?
Mn3C O7C 2.170(3) . ?
Mn3C N2C 2.178(4) . ?
Mn3C N4C 2.281(4) . ?
Mn3C O6C 2.384(3) . ?
Mn3C Gd3C 3.4278(7) . ?
Mn3C H21F 1.35(3) . ?
N1C C8C 1.285(6) . ?
N1C N2C 1.408(5) . ?
N1C Gd2C 2.524(3) . ?
Gd2C O3C 2.295(3) . ?
Gd2C O14C 2.317(3) 2_777 ?
Gd2C O2C 2.340(3) . ?
Gd2C O20C 2.441(3) . ?
Gd2C O16C 2.452(4) . ?
Gd2C O18C 2.492(4) . ?
Gd2C O15C 2.548(3) 2_777 ?
Gd2C O17C 2.591(4) . ?
Gd2C N13C 2.970(5) . ?
Gd2C Mn2C 3.5280(7) 2_777 ?
O1C C2C 1.376(5) . ?
O1C C1C 1.441(5) . ?
O1C Mn2C 2.362(3) 2_777 ?
C1C H1CA 0.9800 . ?
C1C H1CB 0.9800 . ?
C1C H1CC 0.9800 . ?
Mn1C O9C 2.143(3) . ?
Mn1C N6C 2.191(4) . ?
Mn1C O12C 2.205(3) . ?
Mn1C N8C 2.280(4) . ?
Mn1C O11C 2.335(3) . ?
Mn1C Gd1C 3.4981(8) . ?
N2C C9C 1.335(6) . ?
Gd3C O8C 2.278(4) . ?
Gd3C O4C 2.285(4) . ?
Gd3C O7C 2.323(3) . ?
Gd3C O33C 2.449(4) . ?
Gd3C O25C 2.451(4) . ?
Gd3C O22C 2.502(4) . ?
Gd3C N5C 2.517(4) . ?
Gd3C O5C 2.604(4) . ?
Gd3C O23C 2.608(4) . ?
Gd3C N14C 2.982(5) . ?
O2C C7C 1.345(5) . ?
O2C Mn2C 2.202(3) 2_777 ?
C2C C3C 1.377(6) . ?
C2C C7C 1.407(6) . ?
Mn2C O14C 2.171(3) . ?
Mn2C N10C 2.223(4) . ?
Mn2C N12C 2.261(4) . ?
N3C N4C 1.358(5) . ?
N3C C9C 1.363(6) . ?
N3C H3CB 0.8800 . ?
Gd1C O13C 2.299(4) . ?
Gd1C O9C 2.302(3) . ?
Gd1C O12C 2.323(3) . ?
Gd1C O31C 2.451(5) . ?
Gd1C O27C 2.461(9) . ?
Gd1C O26C 2.471(5) . ?
Gd1C N9C 2.530(4) . ?
Gd1C O30C 2.547(6) . ?
Gd1C O10C 2.588(4) . ?
Gd1C N15C 2.917(7) . ?
O3C C9C 1.267(5) . ?
C3C C4C 1.408(6) . ?
C3C H3CA 0.9500 . ?
C4C C5C 1.371(6) . ?
C4C H4CA 0.9500 . ?
O4C C16C 1.328(6) . ?
N4C C10C 1.288(6) . ?
C5C C6C 1.409(6) . ?
C5C H5CA 0.9500 . ?
O5C C15C 1.383(7) . ?
O5C C17C 1.426(6) . ?
N5C C25C 1.280(6) . ?
N5C N6C 1.408(5) . ?
C6C C7C 1.407(5) . ?
C6C C8C 1.449(6) . ?
O6C C19C 1.375(6) . ?
O6C C18C 1.449(5) . ?
N6C C26C 1.338(7) . ?
O7C C24C 1.336(5) . ?
N7C C26C 1.363(6) . ?
N7C N8C 1.368(7) . ?
N7C H7C 0.8800 . ?
C8C H8CA 0.9500 . ?
O8C C26C 1.276(7) . ?
N8C C27C 1.284(6) . ?
O9C C33C 1.332(5) . ?
N9C C42C 1.287(5) . ?
N9C N10C 1.406(5) . ?
C10C C11C 1.456(7) . ?
C10C H10E 0.9500 . ?
O10C C32C 1.381(6) . ?
O10C C34C 1.429(7) . ?
N10C C43C 1.347(6) . ?
C11C C16C 1.395(7) . ?
C11C C12C 1.423(7) . ?
O11C C36C 1.383(6) . ?
O11C C35C 1.434(6) . ?
N11C C43C 1.363(6) . ?
N11C N12C 1.378(6) . ?
N11C H11C 0.8800 . ?
C12C C13C 1.366(8) . ?
C12C H12E 0.9500 . ?
O12C C41C 1.337(5) . ?
N12C C44C 1.273(6) . ?
C13C C14C 1.382(9) . ?
C13C H13C 0.9500 . ?
O13C C43C 1.274(6) . ?
N13C O19C 1.211(7) . ?
N13C O17C 1.276(7) . ?
N13C O18C 1.281(7) . ?
C14C C15C 1.387(7) . ?
C14C H14C 0.9500 . ?
O14C C50C 1.340(5) . ?
N14C O24C 1.218(6) . ?
N14C O22C 1.261(6) . ?
N14C O23C 1.275(5) . ?
C15C C16C 1.410(7) . ?
O15C C49C 1.384(6) . ?
O15C C51C 1.445(6) . ?
N15C O32C 1.247(8) . ?
N15C O30C 1.258(9) . ?
N15C O31C 1.292(10) . ?
O16C C52C 1.442(9) . ?
O16C H16C 0.8400 . ?
N16C O29C 1.255(13) . ?
N16C O27C 1.272(14) . ?
N16C O28C 1.343(14) . ?
C17C H17G 0.9800 . ?
C17C H17H 0.9800 . ?
C17C H17I 0.9800 . ?
C18C H18G 0.9800 . ?
C18C H18H 0.9800 . ?
C18C H18I 0.9800 . ?
C19C C20C 1.383(7) . ?
C19C C24C 1.418(6) . ?
C20C C21C 1.393(8) . ?
C20C H20C 0.9500 . ?
O20C C55C 1.39(4) . ?
O20C C55D 1.40(5) . ?
O20C H20D 0.8400 . ?
C21C C22C 1.373(7) . ?
C21C H21C 0.9500 . ?
O21C H21F 0.847(10) . ?
O21C H21G 0.846(10) . ?
C22C C23C 1.427(7) . ?
C22C H22C 0.9500 . ?
C23C C24C 1.393(7) . ?
C23C C25C 1.448(6) . ?
C25C H25C 0.9500 . ?
C27C C28C 1.448(8) . ?
C27C H27C 0.9500 . ?
C28C C33C 1.397(7) . ?
C28C C29C 1.421(6) . ?
C29C C30C 1.361(8) . ?
C29C H29C 0.9500 . ?
C30C C31C 1.393(8) . ?
C30C H30C 0.9500 . ?
C31C C32C 1.373(7) . ?
C31C H31C 0.9500 . ?
C32C C33C 1.402(7) . ?
O33C C54C 1.386(10) . ?
O33C H33C 0.8400 . ?
C34C H34G 0.9800 . ?
C34C H34H 0.9800 . ?
C34C H34I 0.9800 . ?
C35C H35G 0.9800 . ?
C35C H35H 0.9800 . ?
C35C H35I 0.9800 . ?
C36C C37C 1.383(6) . ?
C36C C41C 1.405(6) . ?
C37C C38C 1.382(7) . ?
C37C H37C 0.9500 . ?
C38C C39C 1.383(7) . ?
C38C H38C 0.9500 . ?
C39C C40C 1.408(6) . ?
C39C H39C 0.9500 . ?
C40C C41C 1.419(7) . ?
C40C C42C 1.460(6) . ?
C42C H42C 0.9500 . ?
C44C C45C 1.448(7) . ?
C44C H44C 0.9500 . ?
C45C C50C 1.405(6) . ?
C45C C46C 1.412(6) . ?
C46C C47C 1.364(8) . ?
C46C H46C 0.9500 . ?
C47C C48C 1.392(8) . ?
C47C H47C 0.9500 . ?
C48C C49C 1.381(6) . ?
C48C H48C 0.9500 . ?
C49C C50C 1.396(7) . ?
C51C H51G 0.9800 . ?
C51C H51H 0.9800 . ?
C51C H51I 0.9800 . ?
C52C H52G 0.9800 . ?
C52C H52H 0.9800 . ?
C52C H52I 0.9800 . ?
C54C H54G 0.9800 . ?
C54C H54H 0.9800 . ?
C54C H54I 0.9800 . ?
C55C H55A 0.9800 . ?
C55C H55B 0.9800 . ?
C55C H55C 0.9800 . ?
C55D H55G 0.9800 . ?
C55D H55H 0.9800 . ?
C55D H55I 0.9800 . ?
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
_geom_torsion_publ_flag
O2 N1 O3 Mn1C -175.3(9) . . . . ?
O4 N1 O3 Mn1C 6.0(13) . . . . ?
O11 N2 O12 Mn2C -179.6(3) . . . . ?
O10 N2 O12 Mn2C 0.0(4) . . . . ?
O20 N5 O18 Mn1A -179.6(14) . . . . ?
O19 N5 O18 Mn1A -4.6(13) . . . . ?
O20D N5 O19D Mn1A -175.9(16) . . . . ?
O18D N5 O19D Mn1A 13.3(10) . . . . ?
C1A O1A C2A C3A -10.5(8) . . . . ?
Mn1A O1A C2A C3A -179.5(4) 2_556 . . . ?
C1A O1A C2A C7A 168.9(4) . . . . ?
Mn1A O1A C2A C7A -0.1(5) 2_556 . . . ?
C8A N1A N2A C9A -169.4(5) . . . . ?
Gd1A N1A N2A C9A 6.9(6) . . . . ?
C8A N1A N2A Mn2A 20.0(7) . . . . ?
Gd1A N1A N2A Mn2A -163.7(3) . . . . ?
O1A C2A C3A C4A 178.6(5) . . . . ?
C7A C2A C3A C4A -0.8(9) . . . . ?
C2A C3A C4A C5A 0.2(10) . . . . ?
C9A N3A N4A C10A -163.7(6) . . . . ?
C9A N3A N4A Mn2A 25.5(7) . . . . ?
C3A C4A C5A C6A 0.7(10) . . . . ?
C4A C5A C6A C7A -1.1(8) . . . . ?
C4A C5A C6A C8A 179.1(5) . . . . ?
C25A N5A N6A C26A 165.7(4) . . . . ?
Gd2A N5A N6A C26A -8.6(4) . . . . ?
C25A N5A N6A Mn3A -21.4(5) . . . . ?
Gd2A N5A N6A Mn3A 164.4(2) . . . . ?
Mn1A O2A C7A C2A 1.2(6) 2_556 . . . ?
Gd1A O2A C7A C2A 170.2(3) . . . . ?
Mn1A O2A C7A C6A 179.4(3) 2_556 . . . ?
Gd1A O2A C7A C6A -11.6(7) . . . . ?
O1A C2A C7A O2A -0.6(6) . . . . ?
C3A C2A C7A O2A 178.8(5) . . . . ?
O1A C2A C7A C6A -179.0(4) . . . . ?
C3A C2A C7A C6A 0.4(7) . . . . ?
C5A C6A C7A O2A -177.8(5) . . . . ?
C8A C6A C7A O2A 2.0(8) . . . . ?
C5A C6A C7A C2A 0.5(7) . . . . ?
C8A C6A C7A C2A -179.7(5) . . . . ?
N2A N1A C8A C6A 178.5(5) . . . . ?
Gd1A N1A C8A C6A 2.8(8) . . . . ?
C5A C6A C8A N1A -178.6(5) . . . . ?
C7A C6A C8A N1A 1.6(8) . . . . ?
C26A N7A N8A C27A 166.0(5) . . . . ?
C26A N7A N8A Mn3A -21.3(5) . . . . ?
Gd1A O3A C9A N2A -2.7(10) . . . . ?
Gd1A O3A C9A N3A 177.8(5) . . . . ?
N1A N2A C9A O3A -3.3(9) . . . . ?
Mn2A N2A C9A O3A 168.8(6) . . . . ?
N1A N2A C9A N3A 176.2(5) . . . . ?
Mn2A N2A C9A N3A -11.6(8) . . . . ?
N4A N3A C9A O3A 169.0(6) . . . . ?
N4A N3A C9A N2A -10.6(9) . . . . ?
N3A N4A C10A C11A 176.1(6) . . . . ?
Mn2A N4A C10A C11A -15.5(10) . . . . ?
C42A N9A N10A C43A -172.2(5) . . . . ?
Gd3A N9A N10A C43A 4.4(5) . . . . ?
C42A N9A N10A Mn1A 15.4(6) . . . . ?
Gd3A N9A N10A Mn1A -168.0(2) . . . . ?
N4A C10A C11A C16A -3.4(10) . . . . ?
N4A C10A C11A C12A -179.0(6) . . . . ?
C16A C11A C12A C13A 0.5(10) . . . . ?
C10A C11A C12A C13A 176.3(6) . . . . ?
C43A N11A N12A C44A -166.2(6) . . . . ?
C43A N11A N12A Mn1A 25.1(7) . . . . ?
C11A C12A C13A C14A -1.4(11) . . . . ?
C12A C13A C14A C15A 0.1(10) . . . . ?
C17A O5A C15A C14A -9.1(7) . . . . ?
Gd2A O5A C15A C14A 161.4(4) . . . . ?
C17A O5A C15A C16A 172.2(5) . . . . ?
Gd2A O5A C15A C16A -17.3(5) . . . . ?
C13A C14A C15A O5A -176.6(5) . . . . ?
C13A C14A C15A C16A 2.0(8) . . . . ?
O18A N13A O16A Gd1A -177.2(6) . . . . ?
O17A N13A O16A Gd1A 1.9(6) . . . . ?
Mn2A O4A C16A C11A 19.6(8) . . . . ?
Gd2A O4A C16A C11A -154.3(4) . . . . ?
Mn2A O4A C16A C15A -163.9(3) . . . . ?
Gd2A O4A C16A C15A 22.2(6) . . . . ?
C12A C11A C16A O4A 178.0(5) . . . . ?
C10A C11A C16A O4A 2.5(9) . . . . ?
C12A C11A C16A C15A 1.6(8) . . . . ?
C10A C11A C16A C15A -174.0(5) . . . . ?
O5A C15A C16A O4A -0.7(6) . . . . ?
C14A C15A C16A O4A -179.5(5) . . . . ?
O5A C15A C16A C11A 175.9(5) . . . . ?
C14A C15A C16A C11A -2.8(7) . . . . ?
O18A N13A O17A Gd1A 177.3(6) . . . . ?
O16A N13A O17A Gd1A -1.8(6) . . . . ?
C18A O6A C19A C20A 5.4(7) . . . . ?
Mn2A O6A C19A C20A -178.4(4) . . . . ?
C18A O6A C19A C24A -175.3(4) . . . . ?
Mn2A O6A C19A C24A 0.8(5) . . . . ?
O6A C19A C20A C21A 179.4(4) . . . . ?
C24A C19A C20A C21A 0.2(7) . . . . ?
C19A C20A C21A C22A -1.5(7) . . . . ?
O24A N14A O22A Gd2A -175.8(7) . . . . ?
O23A N14A O22A Gd2A 2.2(6) . . . . ?
C20A C21A C22A C23A 1.7(7) . . . . ?
O24A N14A O23A Gd2A 175.6(7) . . . . ?
O22A N14A O23A Gd2A -2.3(6) . . . . ?
C21A C22A C23A C24A -0.7(7) . . . . ?
C21A C22A C23A C25A 178.0(4) . . . . ?
Mn2A O7A C24A C19A -2.6(5) . . . . ?
Gd2A O7A C24A C19A -173.3(3) . . . . ?
Mn2A O7A C24A C23A 176.8(3) . . . . ?
Gd2A O7A C24A C23A 6.1(7) . . . . ?
O6A C19A C24A O7A 1.0(6) . . . . ?
C20A C19A C24A O7A -179.7(4) . . . . ?
O6A C19A C24A C23A -178.4(4) . . . . ?
C20A C19A C24A C23A 0.8(7) . . . . ?
C22A C23A C24A O7A -180.0(4) . . . . ?
C25A C23A C24A O7A 1.5(7) . . . . ?
C22A C23A C24A C19A -0.6(6) . . . . ?
C25A C23A C24A C19A -179.1(4) . . . . ?
N6A N5A C25A C23A 175.5(4) . . . . ?
Gd2A N5A C25A C23A -11.2(6) . . . . ?
C24A C23A C25A N5A 2.0(7) . . . . ?
C22A C23A C25A N5A -176.5(4) . . . . ?
Gd2A O8A C26A N6A 12.5(7) . . . . ?
Gd2A O8A C26A N7A -167.5(3) . . . . ?
N5A N6A C26A O8A -1.6(7) . . . . ?
Mn3A N6A C26A O8A -175.7(4) . . . . ?
N5A N6A C26A N7A 178.4(4) . . . . ?
Mn3A N6A C26A N7A 4.3(6) . . . . ?
N8A N7A C26A O8A -168.0(4) . . . . ?
N8A N7A C26A N6A 12.0(7) . . . . ?
O29A N15A O27A Gd3A 178.4(4) . . . . ?
O28A N15A O27A Gd3A -1.7(4) . . . . ?
N7A N8A C27A C28A -172.6(5) . . . . ?
Mn3A N8A C27A C28A 16.3(8) . . . . ?
O29A N15A O28A Gd3A -178.3(4) . . . . ?
O27A N15A O28A Gd3A 1.8(4) . . . . ?
N8A C27A C28A C29A -178.7(5) . . . . ?
N8A C27A C28A C33A 9.6(8) . . . . ?
C33A C28A C29A C30A 0.3(8) . . . . ?
C27A C28A C29A C30A -171.6(5) . . . . ?
C28A C29A C30A C31A 2.2(9) . . . . ?
C29A C30A C31A C32A -1.6(9) . . . . ?
C34A O10A C32A C31A 0.6(7) . . . . ?
Gd3A O10A C32A C31A -165.8(4) . . . . ?
C34A O10A C32A C33A 179.0(5) . . . . ?
Gd3A O10A C32A C33A 12.6(5) . . . . ?
C30A C31A C32A O10A 176.6(5) . . . . ?
C30A C31A C32A C33A -1.6(8) . . . . ?
Mn3A O9A C33A C32A 162.6(3) . . . . ?
Gd3A O9A C33A C32A -19.6(6) . . . . ?
Mn3A O9A C33A C28A -20.8(7) . . . . ?
Gd3A O9A C33A C28A 157.0(4) . . . . ?
O10A C32A C33A O9A 2.4(6) . . . . ?
C31A C32A C33A O9A -179.2(5) . . . . ?
O10A C32A C33A C28A -174.5(4) . . . . ?
C31A C32A C33A C28A 3.9(7) . . . . ?
C29A C28A C33A O9A -179.9(5) . . . . ?
C27A C28A C33A O9A -8.4(8) . . . . ?
C29A C28A C33A C32A -3.3(7) . . . . ?
C27A C28A C33A C32A 168.3(5) . . . . ?
C35A O11A C36A C37A 1.6(8) . . . . ?
Mn3A O11A C36A C37A -170.2(4) . . . . ?
C35A O11A C36A C41A 179.2(5) . . . . ?
Mn3A O11A C36A C41A 7.4(5) . . . . ?
O11A C36A C37A C38A 179.5(5) . . . . ?
C41A C36A C37A C38A 2.1(8) . . . . ?
C36A C37A C38A C39A 1.9(9) . . . . ?
C37A C38A C39A C40A -2.3(9) . . . . ?
C38A C39A C40A C41A -1.2(8) . . . . ?
C38A C39A C40A C42A -179.2(5) . . . . ?
Mn3A O12A C41A C36A -4.4(5) . . . . ?
Gd3A O12A C41A C36A 179.2(3) . . . . ?
Mn3A O12A C41A C40A 176.3(3) . . . . ?
Gd3A O12A C41A C40A -0.1(7) . . . . ?
O11A C36A C41A O12A -2.4(6) . . . . ?
C37A C36A C41A O12A 175.2(5) . . . . ?
O11A C36A C41A C40A 177.0(4) . . . . ?
C37A C36A C41A C40A -5.4(7) . . . . ?
C39A C40A C41A O12A -175.8(4) . . . . ?
C42A C40A C41A O12A 2.0(8) . . . . ?
C39A C40A C41A C36A 4.9(7) . . . . ?
C42A C40A C41A C36A -177.3(5) . . . . ?
N10A N9A C42A C40A -178.9(5) . . . . ?
Gd3A N9A C42A C40A 5.0(8) . . . . ?
C41A C40A C42A N9A -4.7(8) . . . . ?
C39A C40A C42A N9A 173.2(5) . . . . ?
Gd3A O13A C43A N10A -2.3(8) . . . . ?
Gd3A O13A C43A N11A 177.2(4) . . . . ?
N9A N10A C43A O13A -1.8(8) . . . . ?
Mn1A N10A C43A O13A 171.9(5) . . . . ?
N9A N10A C43A N11A 178.7(5) . . . . ?
Mn1A N10A C43A N11A -7.6(7) . . . . ?
N12A N11A C43A O13A 167.8(5) . . . . ?
N12A N11A C43A N10A -12.6(8) . . . . ?
N11A N12A C44A C45A 174.7(7) . . . . ?
Mn1A N12A C44A C45A -19.1(11) . . . . ?
N12A C44A C45A C50A -8.2(13) . . . . ?
N12A C44A C45A C46A 178.5(9) . . . . ?
C50A C45A C46A C47A -1.4(17) . . . . ?
C44A C45A C46A C47A 172.2(11) . . . . ?
C45A C46A C47A C48A -1(2) . . . . ?
C46A C47A C48A C49A 2(2) . . . . ?
C51A O15A C49A C48A -11.8(15) . . . . ?
Gd1A O15A C49A C48A 163.4(9) 2_556 . . . ?
C51A O15A C49A C50A 173.1(9) . . . . ?
Gd1A O15A C49A C50A -11.8(9) 2_556 . . . ?
C47A C48A C49A O15A -176.7(11) . . . . ?
C47A C48A C49A C50A -2.0(18) . . . . ?
Mn1A O14A C50A C45A 21.8(10) . . . . ?
Gd1A O14A C50A C45A -157.0(6) 2_556 . . . ?
Mn1A O14A C50A C49A -158.8(6) . . . . ?
Gd1A O14A C50A C49A 22.4(9) 2_556 . . . ?
C46A C45A C50A O14A -178.7(8) . . . . ?
C44A C45A C50A O14A 8.0(12) . . . . ?
C46A C45A C50A C49A 1.8(13) . . . . ?
C44A C45A C50A C49A -171.4(8) . . . . ?
O15A C49A C50A O14A -4.4(11) . . . . ?
C48A C49A C50A O14A -179.7(9) . . . . ?
O15A C49A C50A C45A 175.1(7) . . . . ?
C48A C49A C50A C45A -0.2(14) . . . . ?
C1B O1B C2B C3B 1.4(6) . . . . ?
Mn3B O1B C2B C3B -171.8(4) 2_666 . . . ?
C1B O1B C2B C7B 180.0(4) . . . . ?
Mn3B O1B C2B C7B 6.8(5) 2_666 . . . ?
C8B N1B N2B C9B -171.4(4) . . . . ?
Gd3B N1B N2B C9B 4.0(4) . . . . ?
C8B N1B N2B Mn1B 14.0(6) . . . . ?
Gd3B N1B N2B Mn1B -170.6(2) . . . . ?
O1B C2B C3B C4B 179.3(4) . . . . ?
C7B C2B C3B C4B 0.9(7) . . . . ?
C2B C3B C4B C5B 2.8(7) . . . . ?
C9B N3B N4B C10B -162.1(5) . . . . ?
C9B N3B N4B Mn1B 25.3(5) . . . . ?
C3B C4B C5B C6B -2.6(7) . . . . ?
C4B C5B C6B C7B -1.2(7) . . . . ?
C4B C5B C6B C8B 179.1(4) . . . . ?
C25B N5B N6B C26B 171.5(4) . . . . ?
Gd1B N5B N6B C26B -4.3(5) . . . . ?
C25B N5B N6B Mn2B -19.1(6) . . . . ?
Gd1B N5B N6B Mn2B 165.0(2) . . . . ?
Mn3B O2B C7B C6B 177.9(3) 2_666 . . . ?
Gd3B O2B C7B C6B -3.8(6) . . . . ?
Mn3B O2B C7B C2B -1.9(5) 2_666 . . . ?
Gd3B O2B C7B C2B 176.4(3) . . . . ?
C5B C6B C7B O2B -175.0(4) . . . . ?
C8B C6B C7B O2B 4.6(7) . . . . ?
C5B C6B C7B C2B 4.7(6) . . . . ?
C8B C6B C7B C2B -175.6(4) . . . . ?
O1B C2B C7B O2B -3.4(5) . . . . ?
C3B C2B C7B O2B 175.1(4) . . . . ?
O1B C2B C7B C6B 176.8(4) . . . . ?
C3B C2B C7B C6B -4.7(6) . . . . ?
N2B N1B C8B C6B -179.3(4) . . . . ?
Gd3B N1B C8B C6B 6.0(7) . . . . ?
C7B C6B C8B N1B -6.1(7) . . . . ?
C5B C6B C8B N1B 173.6(4) . . . . ?
C26B N7B N8B C27B 163.6(5) . . . . ?
C26B N7B N8B Mn2B -25.5(6) . . . . ?
Gd3B O3B C9B N2B -3.1(7) . . . . ?
Gd3B O3B C9B N3B 176.9(3) . . . . ?
N1B N2B C9B O3B -0.9(7) . . . . ?
Mn1B N2B C9B O3B 174.6(4) . . . . ?
N1B N2B C9B N3B 179.1(4) . . . . ?
Mn1B N2B C9B N3B -5.4(6) . . . . ?
N4B N3B C9B O3B 166.1(4) . . . . ?
N4B N3B C9B N2B -13.9(7) . . . . ?
N3B N4B C10B C11B 172.8(5) . . . . ?
Mn1B N4B C10B C11B -16.2(8) . . . . ?
C42B N9B N10B C43B -169.0(4) . . . . ?
Gd2B N9B N10B C43B 6.1(4) . . . . ?
C42B N9B N10B Mn3B 17.9(6) . . . . ?
Gd2B N9B N10B Mn3B -167.0(2) . . . . ?
N4B C10B C11B C16B -13.5(8) . . . . ?
N4B C10B C11B C12B 172.5(5) . . . . ?
C16B C11B C12B C13B -0.2(7) . . . . ?
C10B C11B C12B C13B 173.9(5) . . . . ?
C43B N11B N12B C44B -165.3(6) . . . . ?
C43B N11B N12B Mn3B 23.5(6) . . . . ?
C11B C12B C13B C14B -2.6(7) . . . . ?
C12B C13B C14B C15B 1.6(7) . . . . ?
C17B O5B C15B C14B -8.6(7) . . . . ?
Gd1B O5B C15B C14B 173.3(4) . . . . ?
C17B O5B C15B C16B 172.8(5) . . . . ?
Gd1B O5B C15B C16B -5.3(5) . . . . ?
C13B C14B C15B O5B -176.3(4) . . . . ?
C13B C14B C15B C16B 2.2(7) . . . . ?
Mn1B O4B C16B C11B 28.6(6) . . . . ?
Gd1B O4B C16B C11B -163.7(3) . . . . ?
Mn1B O4B C16B C15B -153.7(3) . . . . ?
Gd1B O4B C16B C15B 14.0(6) . . . . ?
C12B C11B C16B O4B -178.4(4) . . . . ?
C10B C11B C16B O4B 7.7(7) . . . . ?
C12B C11B C16B C15B 3.9(7) . . . . ?
C10B C11B C16B C15B -170.0(4) . . . . ?
O5B C15B C16B O4B -4.2(6) . . . . ?
C14B C15B C16B O4B 177.2(4) . . . . ?
O5B C15B C16B C11B 173.7(4) . . . . ?
C14B C15B C16B C11B -4.9(7) . . . . ?
O19B N13B O17B Gd3B 178.8(5) . . . . ?
O18B N13B O17B Gd3B -0.4(4) . . . . ?
O19B N13B O18B Gd3B -178.8(5) . . . . ?
O17B N13B O18B Gd3B 0.4(4) . . . . ?
C18B O6B C19B C20B 13.6(6) . . . . ?
Mn1B O6B C19B C20B 175.0(4) . . . . ?
C18B O6B C19B C24B -164.0(4) . . . . ?
Mn1B O6B C19B C24B -2.5(5) . . . . ?
O6B C19B C20B C21B -178.3(5) . . . . ?
C24B C19B C20B C21B -1.0(8) . . . . ?
O23B N16B O21B Mn1B 177.8(5) . . . . ?
O22B N16B O21B Mn1B -4.8(6) . . . . ?
C19B C20B C21B C22B -1.7(8) . . . . ?
C20B C21B C22B C23B 2.3(8) . . . . ?
C21B C22B C23B C24B -0.1(8) . . . . ?
C21B C22B C23B C25B -179.7(5) . . . . ?
O26B N14B O24B Gd1B -178.9(5) . . . . ?
O25B N14B O24B Gd1B -0.2(5) . . . . ?
Mn1B O7B C24B C23B -178.4(3) . . . . ?
Gd1B O7B C24B C23B 0.9(7) . . . . ?
Mn1B O7B C24B C19B 1.0(5) . . . . ?
Gd1B O7B C24B C19B -179.7(3) . . . . ?
C22B C23B C24B O7B 177.0(4) . . . . ?
C25B C23B C24B O7B -3.5(7) . . . . ?
C22B C23B C24B C19B -2.5(7) . . . . ?
C25B C23B C24B C19B 177.0(4) . . . . ?
C20B C19B C24B O7B -176.4(4) . . . . ?
O6B C19B C24B O7B 1.1(6) . . . . ?
C20B C19B C24B C23B 3.1(7) . . . . ?
O6B C19B C24B C23B -179.4(4) . . . . ?
O26B N14B O25B Gd1B 178.9(5) . . . . ?
O24B N14B O25B Gd1B 0.2(5) . . . . ?
N6B N5B C25B C23B -178.3(4) . . . . ?
Gd1B N5B C25B C23B -3.1(7) . . . . ?
C24B C23B C25B N5B 4.8(8) . . . . ?
C22B C23B C25B N5B -175.7(5) . . . . ?
Gd1B O8B C26B N6B -3.1(8) . . . . ?
Gd1B O8B C26B N7B 178.2(4) . . . . ?
N5B N6B C26B O8B 5.1(8) . . . . ?
Mn2B N6B C26B O8B -166.3(5) . . . . ?
N5B N6B C26B N7B -176.2(5) . . . . ?
Mn2B N6B C26B N7B 12.5(6) . . . . ?
N8B N7B C26B O8B -171.4(5) . . . . ?
N8B N7B C26B N6B 9.7(8) . . . . ?
N7B N8B C27B C28B -175.4(5) . . . . ?
Mn2B N8B C27B C28B 16.0(9) . . . . ?
N8B C27B C28B C33B 3.9(9) . . . . ?
N8B C27B C28B C29B 179.8(6) . . . . ?
C33B C28B C29B C30B -0.2(10) . . . . ?
C27B C28B C29B C30B -176.3(6) . . . . ?
O32B N15B O30B Gd2B 173.8(5) . . . . ?
O31B N15B O30B Gd2B -3.6(5) . . . . ?
C28B C29B C30B C31B 0.7(10) . . . . ?
O32B N15B O31B Gd2B -173.5(5) . . . . ?
O30B N15B O31B Gd2B 3.7(5) . . . . ?
C29B C30B C31B C32B 1.0(9) . . . . ?
C30B C31B C32B O10B 176.5(5) . . . . ?
C30B C31B C32B C33B -3.1(8) . . . . ?
C34B O10B C32B C31B -1.8(8) . . . . ?
Gd2B O10B C32B C31B -164.1(4) . . . . ?
C34B O10B C32B C33B 177.9(6) . . . . ?
Gd2B O10B C32B C33B 15.6(5) . . . . ?
Mn2B O9B C33B C28B -17.2(7) . . . . ?
Gd2B O9B C33B C28B 155.5(4) . . . . ?
Mn2B O9B C33B C32B 164.5(3) . . . . ?
Gd2B O9B C33B C32B -22.8(6) . . . . ?
C29B C28B C33B O9B 179.9(5) . . . . ?
C27B C28B C33B O9B -4.2(8) . . . . ?
C29B C28B C33B C32B -1.7(8) . . . . ?
C27B C28B C33B C32B 174.1(5) . . . . ?
C31B C32B C33B O9B -178.1(5) . . . . ?
O10B C32B C33B O9B 2.2(6) . . . . ?
C31B C32B C33B C28B 3.5(7) . . . . ?
O10B C32B C33B C28B -176.2(4) . . . . ?
C35B O11B C36B C37B -3.4(7) . . . . ?
Mn2B O11B C36B C37B -175.9(4) . . . . ?
C35B O11B C36B C41B 176.7(5) . . . . ?
Mn2B O11B C36B C41B 4.1(5) . . . . ?
O11B C36B C37B C38B -179.3(4) . . . . ?
C41B C36B C37B C38B 0.7(7) . . . . ?
C36B C37B C38B C39B 1.5(7) . . . . ?
C37B C38B C39B C40B -1.9(7) . . . . ?
C38B C39B C40B C41B 0.1(7) . . . . ?
C38B C39B C40B C42B -178.7(4) . . . . ?
Mn2B O12B C41B C40B 178.9(3) . . . . ?
Gd2B O12B C41B C40B -1.6(7) . . . . ?
Mn2B O12B C41B C36B -1.8(5) . . . . ?
Gd2B O12B C41B C36B 177.8(3) . . . . ?
C39B C40B C41B O12B -178.8(4) . . . . ?
C42B C40B C41B O12B -0.1(7) . . . . ?
C39B C40B C41B C36B 1.8(6) . . . . ?
C42B C40B C41B C36B -179.4(4) . . . . ?
C37B C36B C41B O12B 178.3(4) . . . . ?
O11B C36B C41B O12B -1.7(6) . . . . ?
C37B C36B C41B C40B -2.3(7) . . . . ?
O11B C36B C41B C40B 177.7(4) . . . . ?
N10B N9B C42B C40B -177.0(4) . . . . ?
Gd2B N9B C42B C40B 8.8(7) . . . . ?
C39B C40B C42B N9B 174.7(4) . . . . ?
C41B C40B C42B N9B -4.1(7) . . . . ?
Gd2B O13B C43B N10B -4.0(7) . . . . ?
Gd2B O13B C43B N11B 175.1(3) . . . . ?
N9B N10B C43B O13B -1.9(7) . . . . ?
Mn3B N10B C43B O13B 172.3(4) . . . . ?
N9B N10B C43B N11B 179.0(4) . . . . ?
Mn3B N10B C43B N11B -6.9(6) . . . . ?
N12B N11B C43B O13B 168.9(5) . . . . ?
N12B N11B C43B N10B -11.9(7) . . . . ?
N11B N12B C44B C45B 174.5(6) . . . . ?
Mn3B N12B C44B C45B -16.2(10) . . . . ?
N12B C44B C45B C50B -10.3(12) . . . . ?
N12B C44B C45B C46B 177.7(8) . . . . ?
C50B C45B C46B C47B 0.9(15) . . . . ?
C44B C45B C46B C47B 173.2(10) . . . . ?
C45B C46B C47B C48B -2.9(17) . . . . ?
C46B C47B C48B C49B 1.8(16) . . . . ?
C51B O15B C49B C48B -6.2(9) . . . . ?
Gd3B O15B C49B C48B 165.7(6) 2_666 . . . ?
C51B O15B C49B C50B 176.2(5) . . . . ?
Gd3B O15B C49B C50B -11.9(6) 2_666 . . . ?
C47B C48B C49B O15B -176.0(8) . . . . ?
C47B C48B C49B C50B 1.4(12) . . . . ?
Mn3B O14B C50B C45B 21.7(9) . . . . ?
Gd3B O14B C50B C45B -156.8(5) 2_666 . . . ?
Mn3B O14B C50B C49B -159.9(4) . . . . ?
Gd3B O14B C50B C49B 21.6(7) 2_666 . . . ?
C46B C45B C50B O14B -179.5(7) . . . . ?
C44B C45B C50B O14B 8.7(11) . . . . ?
C46B C45B C50B C49B 2.1(11) . . . . ?
C44B C45B C50B C49B -169.6(6) . . . . ?
O15B C49B C50B O14B -4.0(8) . . . . ?
C48B C49B C50B O14B 178.3(6) . . . . ?
O15B C49B C50B C45B 174.5(6) . . . . ?
C48B C49B C50B C45B -3.3(10) . . . . ?
C8C N1C N2C C9C 166.3(4) . . . . ?
Gd2C N1C N2C C9C -6.9(4) . . . . ?
C8C N1C N2C Mn3C -18.3(5) . . . . ?
Gd2C N1C N2C Mn3C 168.6(2) . . . . ?
C1C O1C C2C C3C 12.3(6) . . . . ?
Mn2C O1C C2C C3C 178.9(3) 2_777 . . . ?
C1C O1C C2C C7C -167.6(4) . . . . ?
Mn2C O1C C2C C7C -1.0(4) 2_777 . . . ?
O1C C2C C3C C4C 179.1(4) . . . . ?
C7C C2C C3C C4C -1.0(6) . . . . ?
C2C C3C C4C C5C -1.1(7) . . . . ?
C9C N3C N4C C10C 171.7(4) . . . . ?
C9C N3C N4C Mn3C -15.6(5) . . . . ?
C3C C4C C5C C6C 1.2(7) . . . . ?
C4C C5C C6C C7C 0.7(6) . . . . ?
C4C C5C C6C C8C -179.7(4) . . . . ?
C25C N5C N6C C26C -169.7(5) . . . . ?
Gd3C N5C N6C C26C 8.3(5) . . . . ?
C25C N5C N6C Mn1C 17.2(6) . . . . ?
Gd3C N5C N6C Mn1C -164.7(2) . . . . ?
Mn2C O2C C7C C6C 177.0(3) 2_777 . . . ?
Gd2C O2C C7C C6C -0.8(6) . . . . ?
Mn2C O2C C7C C2C -2.5(5) 2_777 . . . ?
Gd2C O2C C7C C2C 179.7(3) . . . . ?
C5C C6C C7C O2C 177.9(4) . . . . ?
C8C C6C C7C O2C -1.7(7) . . . . ?
C5C C6C C7C C2C -2.6(6) . . . . ?
C8C C6C C7C C2C 177.8(4) . . . . ?
O1C C2C C7C O2C 2.2(5) . . . . ?
C3C C2C C7C O2C -177.7(4) . . . . ?
O1C C2C C7C C6C -177.3(3) . . . . ?
C3C C2C C7C C6C 2.8(6) . . . . ?
N2C N1C C8C C6C 178.9(4) . . . . ?
Gd2C N1C C8C C6C -9.1(6) . . . . ?
C7C C6C C8C N1C 7.1(7) . . . . ?
C5C C6C C8C N1C -172.5(4) . . . . ?
C26C N7C N8C C27C -162.5(5) . . . . ?
C26C N7C N8C Mn1C 25.4(6) . . . . ?
Gd2C O3C C9C N2C 1.4(6) . . . . ?
Gd2C O3C C9C N3C 179.4(3) . . . . ?
N1C N2C C9C O3C 4.1(6) . . . . ?
Mn3C N2C C9C O3C -172.0(4) . . . . ?
N1C N2C C9C N3C -173.9(4) . . . . ?
Mn3C N2C C9C N3C 10.0(5) . . . . ?
N4C N3C C9C O3C -173.6(4) . . . . ?
N4C N3C C9C N2C 4.6(6) . . . . ?
N3C N4C C10C C11C -175.3(4) . . . . ?
Mn3C N4C C10C C11C 13.6(7) . . . . ?
C42C N9C N10C C43C 169.4(4) . . . . ?
Gd1C N9C N10C C43C -6.6(5) . . . . ?
C42C N9C N10C Mn2C -22.7(6) . . . . ?
Gd1C N9C N10C Mn2C 161.3(2) . . . . ?
N4C C10C C11C C16C 9.9(7) . . . . ?
N4C C10C C11C C12C -173.2(5) . . . . ?
C16C C11C C12C C13C 0.2(7) . . . . ?
C10C C11C C12C C13C -176.8(5) . . . . ?
C43C N11C N12C C44C 157.0(5) . . . . ?
C43C N11C N12C Mn2C -30.2(6) . . . . ?
C11C C12C C13C C14C 2.0(8) . . . . ?
C12C C13C C14C C15C 0.0(8) . . . . ?
C17C O5C C15C C14C 14.7(7) . . . . ?
Gd3C O5C C15C C14C -169.5(4) . . . . ?
C17C O5C C15C C16C -166.5(5) . . . . ?
Gd3C O5C C15C C16C 9.2(5) . . . . ?
C13C C14C C15C O5C 174.5(5) . . . . ?
C13C C14C C15C C16C -4.1(8) . . . . ?
Mn3C O4C C16C C11C -24.7(7) . . . . ?
Gd3C O4C C16C C11C 156.3(4) . . . . ?
Mn3C O4C C16C C15C 156.8(3) . . . . ?
Gd3C O4C C16C C15C -22.1(6) . . . . ?
C12C C11C C16C O4C 177.5(4) . . . . ?
C10C C11C C16C O4C -5.6(7) . . . . ?
C12C C11C C16C C15C -4.0(7) . . . . ?
C10C C11C C16C C15C 172.8(4) . . . . ?
O5C C15C C16C O4C 5.8(6) . . . . ?
C14C C15C C16C O4C -175.4(4) . . . . ?
O5C C15C C16C C11C -172.7(4) . . . . ?
C14C C15C C16C C11C 6.1(7) . . . . ?
O19C N13C O17C Gd2C -171.3(5) . . . . ?
O18C N13C O17C Gd2C 6.9(5) . . . . ?
O19C N13C O18C Gd2C 170.9(6) . . . . ?
O17C N13C O18C Gd2C -7.3(5) . . . . ?
C18C O6C C19C C20C -3.5(7) . . . . ?
Mn3C O6C C19C C20C -172.3(4) . . . . ?
C18C O6C C19C C24C 174.0(4) . . . . ?
Mn3C O6C C19C C24C 5.2(5) . . . . ?
O6C C19C C20C C21C 176.8(5) . . . . ?
C24C C19C C20C C21C -0.5(9) . . . . ?
C19C C20C C21C C22C 3.7(10) . . . . ?
C20C C21C C22C C23C -3.4(10) . . . . ?
O24C N14C O22C Gd3C -175.2(5) . . . . ?
O23C N14C O22C Gd3C 2.8(5) . . . . ?
C21C C22C C23C C24C -0.3(9) . . . . ?
C21C C22C C23C C25C -180.0(6) . . . . ?
O24C N14C O23C Gd3C 175.3(5) . . . . ?
O22C N14C O23C Gd3C -2.6(5) . . . . ?
Mn3C O7C C24C C23C 175.7(4) . . . . ?
Gd3C O7C C24C C23C -8.4(7) . . . . ?
Mn3C O7C C24C C19C -3.2(5) . . . . ?
Gd3C O7C C24C C19C 172.8(3) . . . . ?
C22C C23C C24C O7C -175.4(5) . . . . ?
C25C C23C C24C O7C 4.3(8) . . . . ?
C22C C23C C24C C19C 3.4(7) . . . . ?
C25C C23C C24C C19C -176.9(5) . . . . ?
O6C C19C C24C O7C -1.8(6) . . . . ?
C20C C19C C24C O7C 175.8(5) . . . . ?
O6C C19C C24C C23C 179.3(4) . . . . ?
C20C C19C C24C C23C -3.1(7) . . . . ?
N6C N5C C25C C23C -179.2(5) . . . . ?
Gd3C N5C C25C C23C 3.1(8) . . . . ?
C24C C23C C25C N5C -2.1(9) . . . . ?
C22C C23C C25C N5C 177.5(5) . . . . ?
Gd3C O8C C26C N6C -6.9(8) . . . . ?
Gd3C O8C C26C N7C 172.5(4) . . . . ?
N5C N6C C26C O8C -1.7(8) . . . . ?
Mn1C N6C C26C O8C 172.5(5) . . . . ?
N5C N6C C26C N7C 178.9(5) . . . . ?
Mn1C N6C C26C N7C -6.9(7) . . . . ?
N8C N7C C26C O8C 167.3(5) . . . . ?
N8C N7C C26C N6C -13.2(8) . . . . ?
N7C N8C C27C C28C 174.6(5) . . . . ?
Mn1C N8C C27C C28C -15.0(8) . . . . ?
O29C N16C O27C Gd1C 34(3) . . . . ?
O28C N16C O27C Gd1C -159.7(9) . . . . ?
N8C C27C C28C C33C -12.9(9) . . . . ?
N8C C27C C28C C29C 172.4(6) . . . . ?
C33C C28C C29C C30C 0.7(9) . . . . ?
C27C C28C C29C C30C 175.5(6) . . . . ?
C28C C29C C30C C31C -3.0(11) . . . . ?
O32C N15C O30C Gd1C -178.7(7) . . . . ?
O31C N15C O30C Gd1C 6.3(7) . . . . ?
C29C C30C C31C C32C 1.3(11) . . . . ?
O32C N15C O31C Gd1C 178.4(7) . . . . ?
O30C N15C O31C Gd1C -6.6(8) . . . . ?
C30C C31C C32C O10C -175.6(6) . . . . ?
C30C C31C C32C C33C 2.7(10) . . . . ?
C34C O10C C32C C31C -8.5(9) . . . . ?
Gd1C O10C C32C C31C 170.6(5) . . . . ?
C34C O10C C32C C33C 173.1(5) . . . . ?
Gd1C O10C C32C C33C -7.9(6) . . . . ?
Mn1C O9C C33C C28C 29.6(8) . . . . ?
Gd1C O9C C33C C28C -160.0(4) . . . . ?
Mn1C O9C C33C C32C -152.2(4) . . . . ?
Gd1C O9C C33C C32C 18.2(7) . . . . ?
C29C C28C C33C O9C -178.6(5) . . . . ?
C27C C28C C33C O9C 6.8(8) . . . . ?
C29C C28C C33C C32C 3.1(8) . . . . ?
C27C C28C C33C C32C -171.4(5) . . . . ?
C31C C32C C33C O9C 176.7(6) . . . . ?
O10C C32C C33C O9C -4.8(8) . . . . ?
C31C C32C C33C C28C -4.9(9) . . . . ?
O10C C32C C33C C28C 173.6(5) . . . . ?
C35C O11C C36C C37C 10.6(7) . . . . ?
Mn1C O11C C36C C37C -179.2(4) . . . . ?
C35C O11C C36C C41C -169.2(4) . . . . ?
Mn1C O11C C36C C41C 1.0(5) . . . . ?
O11C C36C C37C C38C 179.0(5) . . . . ?
C41C C36C C37C C38C -1.2(8) . . . . ?
C36C C37C C38C C39C 1.1(8) . . . . ?
C37C C38C C39C C40C -0.6(8) . . . . ?
C38C C39C C40C C41C 0.3(8) . . . . ?
C38C C39C C40C C42C -179.8(5) . . . . ?
Mn1C O12C C41C C36C -4.8(6) . . . . ?
Gd1C O12C C41C C36C -175.8(3) . . . . ?
Mn1C O12C C41C C40C 176.9(3) . . . . ?
Gd1C O12C C41C C40C 5.8(7) . . . . ?
O11C C36C C41C O12C 2.2(6) . . . . ?
C37C C36C C41C O12C -177.6(5) . . . . ?
O11C C36C C41C C40C -179.3(4) . . . . ?
C37C C36C C41C C40C 0.8(7) . . . . ?
C39C C40C C41C O12C 178.0(5) . . . . ?
C42C C40C C41C O12C -1.9(8) . . . . ?
C39C C40C C41C C36C -0.4(7) . . . . ?
C42C C40C C41C C36C 179.8(5) . . . . ?
N10C N9C C42C C40C 178.3(4) . . . . ?
Gd1C N9C C42C C40C -6.5(7) . . . . ?
C39C C40C C42C N9C -177.1(5) . . . . ?
C41C C40C C42C N9C 2.8(8) . . . . ?
Gd1C O13C C43C N10C 6.4(8) . . . . ?
Gd1C O13C C43C N11C -171.7(4) . . . . ?
N9C N10C C43C O13C 0.7(8) . . . . ?
Mn2C N10C C43C O13C -169.5(5) . . . . ?
N9C N10C C43C N11C 178.9(5) . . . . ?
Mn2C N10C C43C N11C 8.7(6) . . . . ?
N12C N11C C43C O13C -166.5(5) . . . . ?
N12C N11C C43C N10C 15.2(7) . . . . ?
N11C N12C C44C C45C -171.7(5) . . . . ?
Mn2C N12C C44C C45C 17.4(8) . . . . ?
N12C C44C C45C C50C 4.8(8) . . . . ?
N12C C44C C45C C46C 176.1(5) . . . . ?
C50C C45C C46C C47C -1.1(8) . . . . ?
C44C C45C C46C C47C -172.8(5) . . . . ?
C45C C46C C47C C48C 1.4(9) . . . . ?
C46C C47C C48C C49C -0.6(8) . . . . ?
C47C C48C C49C O15C 178.0(5) . . . . ?
C47C C48C C49C C50C -0.4(8) . . . . ?
C51C O15C C49C C48C 19.5(7) . . . . ?
Gd2C O15C C49C C48C -159.2(4) 2_777 . . . ?
C51C O15C C49C C50C -162.0(5) . . . . ?
Gd2C O15C C49C C50C 19.3(5) 2_777 . . . ?
Mn2C O14C C50C C49C 167.0(3) . . . . ?
Gd2C O14C C50C C49C -22.7(5) 2_777 . . . ?
Mn2C O14C C50C C45C -15.4(7) . . . . ?
Gd2C O14C C50C C45C 155.0(3) 2_777 . . . ?
C48C C49C C50C O14C 178.4(4) . . . . ?
O15C C49C C50C O14C -0.1(6) . . . . ?
C48C C49C C50C C45C 0.6(7) . . . . ?
O15C C49C C50C C45C -177.9(4) . . . . ?
C46C C45C C50C O14C -177.6(4) . . . . ?
C44C C45C C50C O14C -6.4(7) . . . . ?
C46C C45C C50C C49C 0.1(7) . . . . ?
C44C C45C C50C C49C 171.3(5) . . . . ?
