#------------------------------------------------------------------------------
#$Date: 2022-02-23 01:36:23 +0200 (Wed, 23 Feb 2022) $
#$Revision: 273115 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/44/7244468.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_7244468
loop_
_publ_author_name
'Li, Yu-Guang'
'Hu, Jun-Jie'
'Zhang, Jia-Li'
'Liu, Sui-Jun'
'Peng, Yan'
'Wen, He-Rui'
_publ_section_title
;
 Lanthanide-based metal-organic framework materials as bifunctional
 fluorescence sensors toward acetylacetone and aspartic acid
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D2CE00174H
_journal_year                    2022
_chemical_formula_sum            'C466 H323.76 Gd10 N12 O88'
_chemical_formula_weight         9071.61
_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-2017/1
_audit_update_record
;
2021-12-09 deposited with the CCDC.	2022-02-22 downloaded from the CCDC.
;
_cell_angle_alpha                100.2280(10)
_cell_angle_beta                 112.3330(10)
_cell_angle_gamma                90.3010(10)
_cell_formula_units_Z            1
_cell_length_a                   22.0708(2)
_cell_length_b                   22.5278(2)
_cell_length_c                   27.0547(3)
_cell_measurement_reflns_used    69773
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      31.8200
_cell_measurement_theta_min      1.8830
_cell_volume                     12205.9(2)
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0499
_diffrn_reflns_av_unetI/netI     0.0434
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            167973
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.010
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_min         1.654
_exptl_absorpt_coefficient_mu    1.406
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.234
_exptl_crystal_description       block
_exptl_crystal_F_000             4548
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.057
_refine_diff_density_min         -1.069
_refine_diff_density_rms         0.194
_refine_ls_extinction_coef       0.00010(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref   1.131
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2581
_refine_ls_number_reflns         42994
_refine_ls_number_restraints     78
_refine_ls_restrained_S_all      1.132
_refine_ls_R_factor_all          0.0850
_refine_ls_R_factor_gt           0.0669
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0969P)²+96.3237P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1937
_refine_ls_wR_factor_ref         0.2109
_reflns_Friedel_coverage         0.000
_reflns_number_gt                34462
_reflns_number_total             42994
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2ce00174h2.cif
_cod_data_source_block           GdMOF1
_cod_database_code               7244468
_shelx_shelxl_version_number     2017/1
_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
O298 O 1.3468(3) 0.4117(4) 0.4906(4) 0.076(3) Uani 1 1 d . . . . .
O285 O 1.3477(3) 0.4632(3) 0.4294(3) 0.0418(14) Uani 1 1 d . . . . .
C231 C 1.3190(4) 0.4416(4) 0.4555(4) 0.043(2) Uani 1 1 d . . . . .
C233 C 1.2486(4) 0.4542(4) 0.4444(4) 0.0383(19) Uani 1 1 d . . . . .
C235 C 1.2142(4) 0.4855(4) 0.4044(4) 0.044(2) Uani 1 1 d . . . . .
H235 H 1.234467 0.499343 0.383559 0.053 Uiso 1 1 calc R U . . .
O17 O 0.3802(3) 0.2837(3) 0.0941(3) 0.0466(15) Uani 1 1 d . . . . .
O9 O 0.3935(3) 0.2987(3) 0.1807(3) 0.0459(15) Uani 1 1 d . . . . .
C307 C 0.4150(4) 0.2966(4) 0.1432(4) 0.0366(18) Uani 1 1 d . . . . .
O60 O 0.6516(3) -0.1520(2) 0.9521(3) 0.0475(16) Uani 1 1 d . . . . .
O61 O 0.7558(3) -0.1299(2) 1.0035(2) 0.0395(13) Uani 1 1 d . . . . .
C48 C 0.6981(4) -0.1138(3) 0.9790(4) 0.0346(18) Uani 1 1 d . . . . .
C49 C 0.6894(4) -0.0475(4) 0.9803(4) 0.0373(18) Uani 1 1 d . . . . .
O16 O 0.3064(3) 0.2492(3) 0.9707(2) 0.0443(14) Uani 1 1 d . . . . .
C114 C 0.3351(4) 0.2801(4) 0.9492(4) 0.042(2) Uani 1 1 d . . . . .
C115 C 0.4035(4) 0.2668(4) 0.9549(4) 0.0381(19) Uani 1 1 d . . . . .
O10 O 0.7467(3) 0.6379(3) 0.8772(3) 0.0496(16) Uani 1 1 d . . . . .
O267 O 0.7520(3) 0.6611(3) 0.9618(3) 0.0532(17) Uani 1 1 d . . . . .
C266 C 0.7542(4) 0.6252(3) 0.9222(4) 0.0367(19) Uani 1 1 d . . . . .
C268 C 0.7662(4) 0.5600(4) 0.9293(4) 0.0375(18) Uani 1 1 d . . . . .
O141 O 0.6119(3) -0.3456(3) 0.7045(3) 0.0489(15) Uani 1 1 d . . . . .
O142 O 0.5977(4) -0.3565(3) 0.6186(3) 0.0546(17) Uani 1 1 d . . . . .
C138 C 0.5983(4) -0.3236(4) 0.6613(4) 0.042(2) Uani 1 1 d . . . . .
C137 C 0.5822(4) -0.2599(4) 0.6614(4) 0.041(2) Uani 1 1 d . . . . .
C270 C 0.5716(6) -0.2373(4) 0.6154(4) 0.057(3) Uani 1 1 d . . . . .
H270 H 0.572657 -0.262170 0.584464 0.068 Uiso 1 1 calc R U . . .
C271 C 0.5592(6) -0.1763(4) 0.6152(4) 0.061(3) Uani 1 1 d . . . . .
H271 H 0.551316 -0.161385 0.583548 0.073 Uiso 1 1 calc R U . . .
C166 C 0.5585(4) -0.1377(4) 0.6611(4) 0.041(2) Uani 1 1 d . . . . .
O57 O 1.0322(3) 0.1676(3) 0.7253(2) 0.0483(16) Uani 1 1 d . . . . .
O58 O 1.0982(3) 0.1728(3) 0.8106(2) 0.0411(13) Uani 1 1 d . . . . .
C54 C 1.0408(4) 0.1695(3) 0.7741(3) 0.0334(17) Uani 1 1 d . . . . .
C56 C 0.9810(4) 0.1651(4) 0.7878(3) 0.0341(17) Uani 1 1 d . . . . .
C95 C 0.9836(4) 0.1412(4) 0.8318(4) 0.046(2) Uani 1 1 d . . . . .
H95 H 1.023829 0.133509 0.856926 0.055 Uiso 1 1 calc R U . . .
C96 C 0.9257(4) 0.1287(4) 0.8386(4) 0.045(2) Uani 1 1 d . . . . .
H96 H 0.927425 0.110382 0.867310 0.054 Uiso 1 1 calc R U . . .
C123 C 0.8659(4) 0.1428(3) 0.8036(4) 0.0350(18) Uani 1 1 d . . . . .
O278 O 0.7200(3) -0.2168(3) 0.8783(3) 0.0461(15) Uani 1 1 d . . . . .
O11 O 0.7234(3) -0.2528(2) 0.7989(3) 0.0490(16) Uani 1 1 d . . . . .
C132 C 0.7228(3) -0.2098(3) 0.8352(4) 0.0333(18) Uani 1 1 d . . . . .
C133 C 0.7248(4) -0.1457(3) 0.8259(4) 0.0351(18) Uani 1 1 d . . . . .
C277 C 0.7106(6) -0.0406(4) 0.8529(5) 0.061(3) Uani 1 1 d . . . . .
H277 H 0.698922 -0.010902 0.875587 0.074 Uiso 1 1 calc R U . . .
C275 C 0.7403(5) -0.1311(4) 0.7848(4) 0.054(2) Uani 1 1 d . . . . .
H275 H 0.748510 -0.161598 0.760622 0.064 Uiso 1 1 calc R U . . .
Gd01 Gd 1.27360(2) 0.23625(2) 1.03842(2) 0.02799(10) Uani 1 1 d . . . . .
O1 O 0.8385(3) 0.0329(3) 0.3915(3) 0.0586(19) Uani 1 1 d . . . . .
C1 C 0.6492(4) 0.3540(4) 0.6279(4) 0.0403(19) Uani 1 1 d . . . . .
Gd02 Gd 0.14624(2) 0.15730(2) 0.73598(2) 0.02694(10) Uani 1 1 d . . . . .
C2 C 0.7330(4) 0.2764(4) 0.2346(4) 0.046(2) Uani 1 1 d . . . . .
H2 H 0.690940 0.259572 0.226200 0.055 Uiso 1 1 calc R U . . .
Gd03 Gd 0.62473(2) 0.54464(2) 0.64467(2) 0.02862(10) Uani 1 1 d . . . . .
C3 C 0.3388(4) 0.0468(4) 0.7085(4) 0.043(2) Uani 1 1 d . . . . .
H3 H 0.325461 0.042844 0.736565 0.052 Uiso 1 1 calc R U . . .
Gd04 Gd 0.91358(2) -0.04968(2) 0.41031(2) 0.02985(11) Uani 1 1 d . . . . .
Gd05 Gd 0.67893(2) 0.64930(2) 0.79225(2) 0.03078(11) Uani 1 1 d . . . . .
O15 O 0.2212(3) 0.1021(3) 0.7048(3) 0.0569(18) Uani 1 1 d . . . . .
O14 O 0.2423(3) 0.1726(3) 0.8129(2) 0.0416(14) Uani 1 1 d . . . . .
O13 O 0.9104(3) -0.0440(2) 0.3227(3) 0.0434(14) Uani 1 1 d . . . . .
O12 O 0.6928(3) 0.4569(2) 0.6571(3) 0.0400(13) Uani 1 1 d . . . . .
C19 C 0.9042(4) 0.2279(4) 0.2688(4) 0.045(2) Uani 1 1 d . . . . .
C20 C 0.8514(5) 0.1204(4) 0.2278(5) 0.056(3) Uani 1 1 d . . . . .
H20 H 0.822879 0.133855 0.197349 0.068 Uiso 1 1 calc R U . . .
C21 C 0.7843(4) 0.2415(4) 0.2476(4) 0.049(2) Uani 1 1 d . . . . .
H21 H 0.776481 0.201442 0.249342 0.059 Uiso 1 1 calc R U . . .
C23 C 0.8167(4) 0.1878(3) 0.9476(4) 0.0356(18) Uani 1 1 d . . . . .
H23 H 0.852579 0.170643 0.942490 0.043 Uiso 1 1 calc R U . . .
C24 C 0.7706(4) 0.1516(3) 0.9517(4) 0.0372(19) Uani 1 1 d . . . . .
H24 H 0.775450 0.110320 0.948927 0.045 Uiso 1 1 calc R U . . .
C25 C 0.7144(4) 0.1751(3) 0.9603(3) 0.0307(16) Uani 1 1 d . . . . .
C26 C 0.7047(4) 0.2376(3) 0.9582(3) 0.0304(16) Uani 1 1 d . . . . .
C53 C 0.7543(3) 0.2759(3) 0.9536(3) 0.0285(16) Uani 1 1 d . . . . .
C28 C 0.8122(4) 0.2510(3) 0.9509(3) 0.0309(16) Uani 1 1 d . . . . .
C29 C 0.6677(4) 0.1398(3) 0.9681(3) 0.0331(17) Uani 1 1 d . . . . .
C30 C 0.6464(4) 0.2628(3) 0.9612(3) 0.0314(16) Uani 1 1 d . . . . .
C31 C 0.6397(4) 0.3257(4) 0.9607(4) 0.041(2) Uani 1 1 d . . . . .
H31 H 0.602724 0.342591 0.963899 0.050 Uiso 1 1 calc R U . . .
C32 C 0.8498(4) 0.2634(3) 0.2587(4) 0.0367(18) Uani 1 1 d . . . . .
C33 C 0.8612(4) 0.3265(4) 0.2596(3) 0.0339(17) Uani 1 1 d . . . . .
C34 C 0.9608(4) 0.3466(4) 0.4121(4) 0.040(2) Uani 1 1 d . . . . .
H34 H 0.968654 0.305988 0.411177 0.048 Uiso 1 1 calc R U . . .
C35 C 0.8986(4) 0.3655(4) 0.4122(4) 0.0372(18) Uani 1 1 d . . . . .
C36 C 0.8858(4) 0.4272(3) 0.4098(3) 0.0308(16) Uani 1 1 d . . . . .
C37 C 0.9358(4) 0.4689(3) 0.4100(3) 0.0326(17) Uani 1 1 d . . . . .
C38 C 0.9989(4) 0.4490(3) 0.4144(3) 0.0322(17) Uani 1 1 d . . . . .
C39 C 0.8243(4) 0.4472(3) 0.4052(4) 0.0351(18) Uani 1 1 d . . . . .
C40 C 0.9220(4) 0.5295(3) 0.4055(3) 0.0317(17) Uani 1 1 d . . . . .
C41 C 0.8578(4) 0.5476(4) 0.3983(4) 0.040(2) Uani 1 1 d . . . . .
H41 H 0.847496 0.586600 0.393135 0.048 Uiso 1 1 calc R U . . .
C42 C 0.6937(4) 0.1403(3) 0.8066(3) 0.0283(15) Uani 1 1 d . . . . .
C43 C 0.7546(4) 0.1635(3) 0.8074(3) 0.0317(16) Uani 1 1 d . . . . .
C44 C 0.7640(4) 0.2270(3) 0.8113(3) 0.0330(17) Uani 1 1 d . . . . .
H44 H 0.804704 0.243022 0.814727 0.040 Uiso 1 1 calc R U . . .
C45 C 0.6433(3) 0.1809(3) 0.8065(3) 0.0266(15) Uani 1 1 d . . . . .
C46 C 0.6530(4) 0.2422(3) 0.8049(3) 0.0294(16) Uani 1 1 d . . . . .
C47 C 0.5820(4) 0.1575(3) 0.8059(3) 0.0294(16) Uani 1 1 d . . . . .
C50 C 0.6303(4) -0.0292(4) 0.9461(4) 0.045(2) Uani 1 1 d . . . . .
H50 H 0.595130 -0.057713 0.925325 0.054 Uiso 1 1 calc R U . . .
C59 C 0.9224(4) 0.1806(4) 0.7536(4) 0.041(2) Uani 1 1 d . . . . .
H59 H 0.920901 0.198150 0.724593 0.050 Uiso 1 1 calc R U . . .
C64 C 1.0480(4) 0.4913(4) 0.4163(4) 0.0357(18) Uani 1 1 d . . . . .
C65 C 1.0321(4) 0.5504(4) 0.4109(4) 0.043(2) Uani 1 1 d . . . . .
H65 H 1.063938 0.577528 0.410681 0.052 Uiso 1 1 calc R U . . .
C66 C 0.9714(4) 0.5706(4) 0.4059(4) 0.0383(19) Uani 1 1 d . . . . .
C67 C 0.8116(4) 0.5076(4) 0.3992(4) 0.045(2) Uani 1 1 d . . . . .
H67 H 0.770399 0.520518 0.395620 0.054 Uiso 1 1 calc R U . . .
C68 C 0.8074(4) 0.3641(3) 0.2487(3) 0.0342(17) Uani 1 1 d . . . . .
C69 C 0.8191(4) 0.4273(3) 0.2500(4) 0.0346(18) Uani 1 1 d . . . . .
C70 C 0.8862(4) 0.4521(4) 0.2678(4) 0.044(2) Uani 1 1 d . . . . .
H70 H 0.895290 0.493759 0.273731 0.053 Uiso 1 1 calc R U . . .
C71 C 0.9364(4) 0.4150(4) 0.2760(4) 0.040(2) Uani 1 1 d . . . . .
H71 H 0.978884 0.431808 0.285884 0.048 Uiso 1 1 calc R U . . .
C72 C 0.6855(4) 0.3615(3) 0.9556(4) 0.040(2) Uani 1 1 d . . . . .
H72 H 0.678991 0.402132 0.955092 0.048 Uiso 1 1 calc R U . . .
C73 C 0.7434(4) 0.3383(3) 0.9511(3) 0.0326(17) Uani 1 1 d . . . . .
C74 C 0.7922(4) 0.3743(4) 0.9454(4) 0.0371(18) Uani 1 1 d . . . . .
C75 C 0.8489(4) 0.3499(4) 0.9441(4) 0.040(2) Uani 1 1 d . . . . .
H75 H 0.880271 0.374472 0.940368 0.048 Uiso 1 1 calc R U . . .
C76 C 0.8612(4) 0.2894(3) 0.9483(4) 0.0335(17) Uani 1 1 d . . . . .
C77 C 0.5982(4) 0.2246(3) 0.9662(3) 0.0337(17) Uani 1 1 d . . . . .
C79 C 0.6113(4) 0.1647(4) 0.9704(4) 0.0372(18) Uani 1 1 d . . . . .
H79 H 0.580520 0.140226 0.975009 0.045 Uiso 1 1 calc R U . . .
O80 O 0.9093(3) -0.0252(3) 0.4946(3) 0.0479(15) Uani 1 1 d . . . . .
C81 C 0.5330(4) 0.2437(4) 0.9647(4) 0.0376(18) Uani 1 1 d . . . . .
C82 C 0.6760(4) 0.0750(3) 0.9735(4) 0.0351(18) Uani 1 1 d . . . . .
C83 C 0.6004(4) 0.2804(3) 0.8001(3) 0.0315(17) Uani 1 1 d . . . . .
C85 C 0.5324(4) 0.1977(3) 0.8054(3) 0.0318(16) Uani 1 1 d . . . . .
C86 C 0.5728(4) 0.0940(3) 0.8026(4) 0.0364(18) Uani 1 1 d . . . . .
H86 H 0.532746 0.077890 0.800365 0.044 Uiso 1 1 calc R U . . .
C87 C 0.6198(4) 0.0568(3) 0.8027(4) 0.0384(19) Uani 1 1 d . . . . .
H87 H 0.611180 0.015651 0.800206 0.046 Uiso 1 1 calc R U . . .
C88 C 0.6832(4) 0.0781(3) 0.8066(3) 0.0337(17) Uani 1 1 d . . . . .
C89 C 0.7347(4) 0.0392(3) 0.8090(4) 0.0367(18) Uani 1 1 d . . . . .
C90 C 0.4703(4) 0.1796(3) 0.8099(4) 0.0354(18) Uani 1 1 d . . . . .
C91 C 0.4691(4) 0.1440(4) 0.8463(4) 0.0397(19) Uani 1 1 d . . . . .
H91 H 0.507192 0.127281 0.865829 0.048 Uiso 1 1 calc R U . . .
C92 C 0.4113(4) 0.1327(4) 0.8542(4) 0.0394(19) Uani 1 1 d . . . . .
H92 H 0.411678 0.109036 0.879220 0.047 Uiso 1 1 calc R U . . .
C55 C 0.3531(4) 0.1567(4) 0.8250(4) 0.0388(19) Uani 1 1 d . . . . .
C94 C 0.4111(4) 0.2016(4) 0.7799(4) 0.041(2) Uani 1 1 d . . . . .
H94 H 0.410328 0.223822 0.753884 0.049 Uiso 1 1 calc R U . . .
C97 C 0.7766(4) 0.4070(4) 0.4071(4) 0.043(2) Uani 1 1 d . . . . .
C98 C 0.9596(4) 0.6349(3) 0.4032(4) 0.0367(18) Uani 1 1 d . . . . .
C99 C 0.7425(4) 0.3381(4) 0.2335(4) 0.0371(18) Uani 1 1 d . . . . .
C100 C 0.7173(4) 0.2645(3) 0.8101(4) 0.0355(18) Uani 1 1 d . . . . .
H100 H 0.726035 0.305623 0.812741 0.043 Uiso 1 1 calc R U . . .
C101 C 0.8035(4) 0.1233(4) 0.8071(4) 0.0357(18) Uani 1 1 d . . . . .
C102 C 0.7922(4) 0.0628(3) 0.8085(4) 0.0380(19) Uani 1 1 d . . . . .
H102 H 0.825160 0.037055 0.809245 0.046 Uiso 1 1 calc R U . . .
C103 C 0.5437(4) 0.2576(3) 0.8016(4) 0.0356(18) Uani 1 1 d . . . . .
H103 H 0.510655 0.283484 0.799977 0.043 Uiso 1 1 calc R U . . .
C104 C 0.5847(4) 0.0274(3) 0.6533(3) 0.0333(17) Uani 1 1 d . . . . .
C105 C 0.5297(4) 0.0516(3) 0.6623(3) 0.0324(17) Uani 1 1 d . . . . .
C106 C 0.5242(4) 0.1158(4) 0.6681(4) 0.0396(19) Uani 1 1 d . . . . .
H106 H 0.489730 0.132210 0.676184 0.047 Uiso 1 1 calc R U . . .
C107 C 0.5687(4) 0.1529(4) 0.6618(4) 0.043(2) Uani 1 1 d . . . . .
H107 H 0.565397 0.194514 0.667654 0.051 Uiso 1 1 calc R U . . .
C108 C 0.6206(4) 0.1290(3) 0.6462(4) 0.0364(18) Uani 1 1 d . . . . .
C109 C 0.6291(4) 0.0661(3) 0.6436(4) 0.0351(18) Uani 1 1 d . . . . .
C110 C 0.6812(4) 0.0405(4) 0.6306(4) 0.0399(19) Uani 1 1 d . . . . .
C111 C 0.4837(4) 0.0127(4) 0.6684(4) 0.0372(18) Uani 1 1 d . . . . .
C112 C 0.4963(4) -0.0472(4) 0.6698(4) 0.043(2) Uani 1 1 d . . . . .
H112 H 0.468060 -0.071851 0.677118 0.052 Uiso 1 1 calc R U . . .
C113 C 0.4206(4) 0.0341(4) 0.6700(4) 0.0377(18) Uani 1 1 d . . . . .
O116 O 0.3077(3) 0.3179(4) 0.9218(4) 0.069(2) Uani 1 1 d . . . . .
C117 C 0.6070(4) 0.3443(3) 0.7935(4) 0.0341(17) Uani 1 1 d . . . . .
C118 C 0.6309(5) 0.3585(4) 0.7555(4) 0.043(2) Uani 1 1 d . . . . .
H118 H 0.642542 0.327485 0.733941 0.052 Uiso 1 1 calc R U . . .
C119 C 0.6376(5) 0.4171(4) 0.7493(4) 0.043(2) Uani 1 1 d . . . . .
H119 H 0.655509 0.425503 0.724964 0.052 Uiso 1 1 calc R U . . .
C120 C 0.6178(4) 0.4637(3) 0.7792(3) 0.0346(18) Uani 1 1 d . . . . .
C121 C 0.6242(4) 0.0316(4) 0.9430(4) 0.042(2) Uani 1 1 d . . . . .
H121 H 0.584657 0.043377 0.920104 0.050 Uiso 1 1 calc R U . . .
C122 C 0.8653(4) 0.1705(4) 0.7617(4) 0.042(2) Uani 1 1 d . . . . .
H122 H 0.825932 0.182391 0.738620 0.051 Uiso 1 1 calc R U . . .
C124 C 0.8511(4) 0.3263(4) 0.4143(4) 0.043(2) Uani 1 1 d . . . . .
C125 C 0.7097(4) 0.4244(4) 0.4030(4) 0.043(2) Uani 1 1 d . . . . .
C126 C 0.8592(4) 0.2612(4) 0.4162(4) 0.043(2) Uani 1 1 d . . . . .
C127 C 1.0079(4) 0.3858(4) 0.4135(4) 0.041(2) Uani 1 1 d . . . . .
H127 H 1.047500 0.371520 0.413802 0.049 Uiso 1 1 calc R U . . .
C128 C 0.9401(4) 0.6704(4) 0.4418(4) 0.042(2) Uani 1 1 d . . . . .
H128 H 0.933253 0.653177 0.468257 0.051 Uiso 1 1 calc R U . . .
C129 C 0.9309(5) 0.7308(4) 0.4407(4) 0.0408(19) Uani 1 1 d . . . . .
H129 H 0.919754 0.754323 0.467349 0.049 Uiso 1 1 calc R U . . .
C130 C 0.9382(4) 0.7566(3) 0.4005(3) 0.0349(18) Uani 1 1 d . . . . .
C131 C 0.9682(5) 0.6616(4) 0.3641(4) 0.044(2) Uani 1 1 d . . . . .
H131 H 0.981978 0.638852 0.338633 0.053 Uiso 1 1 calc R U . . .
C135 C 0.5782(5) -0.2228(4) 0.7067(4) 0.044(2) Uani 1 1 d . . . . .
H135 H 0.583624 -0.238541 0.737535 0.053 Uiso 1 1 calc R U . . .
C136 C 0.5662(5) -0.1625(4) 0.7062(4) 0.048(2) Uani 1 1 d . . . . .
H136 H 0.563354 -0.138266 0.736779 0.058 Uiso 1 1 calc R U . . .
C143 C 0.8849(4) -0.0273(4) 0.2774(4) 0.0378(19) Uani 1 1 d . . . . .
C144 C 0.8908(4) 0.0388(4) 0.2757(4) 0.0400(19) Uani 1 1 d . . . . .
O147 O 0.9451(3) 0.0588(3) 0.4325(3) 0.0489(16) Uani 1 1 d . . . . .
C148 C 0.5056(4) 0.2235(4) 0.9973(4) 0.043(2) Uani 1 1 d . . . . .
H148 H 0.530792 0.202211 1.023493 0.051 Uiso 1 1 calc R U . . .
C149 C 0.4415(4) 0.2337(4) 0.9926(4) 0.045(2) Uani 1 1 d . . . . .
H149 H 0.424351 0.218389 1.014723 0.054 Uiso 1 1 calc R U . . .
C150 C 0.4311(4) 0.2883(4) 0.9219(4) 0.0390(19) Uani 1 1 d . . . . .
H150 H 0.406541 0.310538 0.896366 0.047 Uiso 1 1 calc R U . . .
C151 C 0.4941(4) 0.2768(4) 0.9267(4) 0.0395(19) Uani 1 1 d . . . . .
H151 H 0.511141 0.291411 0.904236 0.047 Uiso 1 1 calc R U . . .
C152 C 0.7333(4) 0.0563(3) 1.0085(4) 0.0388(19) Uani 1 1 d . . . . .
H152 H 0.767971 0.084901 1.030215 0.047 Uiso 1 1 calc R U . . .
C153 C 0.9282(4) 0.2705(3) 0.9547(4) 0.0348(18) Uani 1 1 d . . . . .
C154 C 0.9623(4) 0.2402(4) 0.9966(4) 0.045(2) Uani 1 1 d . . . . .
H154 H 0.941642 0.228686 1.018077 0.054 Uiso 1 1 calc R U . . .
C155 C 0.9254(4) 0.3512(3) 0.2698(4) 0.0347(18) Uani 1 1 d . . . . .
C156 C 0.9763(4) 0.3126(4) 0.2765(4) 0.0407(19) Uani 1 1 d . . . . .
C157 C 0.6906(4) 0.3753(4) 0.2183(4) 0.043(2) Uani 1 1 d . . . . .
C158 C 0.6201(4) 0.3523(4) 0.1989(4) 0.041(2) Uani 1 1 d D . . . .
C5 C 0.5788(10) 0.3820(12) 0.2205(11) 0.058(8) Uani 0.434(16) 1 d . . P A 1
H5 H 0.595951 0.416117 0.247968 0.069 Uiso 0.434(16) 1 calc R U P A 1
C6 C 0.5144(9) 0.3640(12) 0.2037(10) 0.053(8) Uani 0.434(16) 1 d . . P A 1
H6 H 0.488696 0.384994 0.220144 0.064 Uiso 0.434(16) 1 calc R U P A 1
C8 C 0.5234(8) 0.2814(10) 0.1324(8) 0.048(6) Uani 0.434(16) 1 d D U P A 1
H8A H 0.502163 0.284260 0.094331 0.058 Uiso 0.434(16) 1 calc R U P A 1
H8B H 0.520065 0.238990 0.134445 0.058 Uiso 0.434(16) 1 calc R U P A 1
C7 C 0.5937(8) 0.3018(9) 0.1515(7) 0.049(6) Uani 0.434(16) 1 d D U P A 1
H7A H 0.619135 0.267458 0.160496 0.058 Uiso 0.434(16) 1 calc R U P A 1
H7B H 0.601102 0.313738 0.121412 0.058 Uiso 0.434(16) 1 calc R U P A 1
C291 C 0.4868(4) 0.3148(4) 0.1624(4) 0.042(2) Uani 1 1 d D . . . .
C5A C 0.5936(9) 0.3321(12) 0.2325(8) 0.066(6) Uani 0.566(16) 1 d . . P A 2
H5A H 0.621243 0.330332 0.267969 0.079 Uiso 0.566(16) 1 calc R U P A 2
C6A C 0.5276(8) 0.3146(10) 0.2151(8) 0.057(5) Uani 0.566(16) 1 d . . P A 2
H6A H 0.511090 0.302773 0.239001 0.068 Uiso 0.566(16) 1 calc R U P A 2
C7A C 0.5798(10) 0.3426(12) 0.1442(9) 0.071(6) Uani 0.566(16) 1 d . U P A 2
H7AA H 0.596890 0.348444 0.118735 0.085 Uiso 0.566(16) 1 calc R U P A 2
C8A C 0.5137(9) 0.3242(10) 0.1275(8) 0.059(5) Uani 0.566(16) 1 d . U P A 2
H8AA H 0.487169 0.318162 0.090636 0.070 Uiso 0.566(16) 1 calc R U P A 2
C159 C 0.7288(4) -0.0253(3) 0.8130(4) 0.0362(18) Uani 1 1 d . . . . .
C161 C 0.9273(4) 0.8219(3) 0.4010(3) 0.0314(17) Uani 1 1 d . . . . .
O164 O 0.9311(3) 0.8559(2) 0.4445(2) 0.0425(14) Uani 1 1 d . . . . .
O165 O 0.9164(3) 0.8439(2) 0.3581(2) 0.0314(11) Uani 1 1 d . . . . .
C167 C 0.3539(4) 0.1916(4) 0.7876(4) 0.0387(19) Uani 1 1 d . . . . .
H167 H 0.315860 0.208108 0.767703 0.046 Uiso 1 1 calc R U . . .
C168 C 0.3805(4) 0.0624(5) 0.6280(4) 0.049(2) Uani 1 1 d . . . . .
H168 H 0.394803 0.068544 0.600982 0.059 Uiso 1 1 calc R U . . .
C169 C 0.3205(5) 0.0812(5) 0.6261(4) 0.051(2) Uani 1 1 d . . . . .
H169 H 0.294354 0.099269 0.597718 0.061 Uiso 1 1 calc R U . . .
C170 C 0.2995(4) 0.0728(4) 0.6666(4) 0.0401(19) Uani 1 1 d . . . . .
C172 C 0.3988(4) 0.0262(4) 0.7094(4) 0.044(2) Uani 1 1 d . . . . .
H172 H 0.424044 0.006924 0.737176 0.053 Uiso 1 1 calc R U . . .
C174 C 0.5947(4) -0.0349(4) 0.6520(4) 0.0368(18) Uani 1 1 d . . . . .
C175 C 0.5494(4) -0.0722(4) 0.6607(4) 0.040(2) Uani 1 1 d . . . . .
C176 C 0.6508(5) -0.0580(4) 0.6425(4) 0.048(2) Uani 1 1 d . . . . .
H176 H 0.659558 -0.098076 0.644184 0.058 Uiso 1 1 calc R U . . .
C177 C 0.6908(4) -0.0218(4) 0.6312(4) 0.047(2) Uani 1 1 d . . . . .
H177 H 0.725582 -0.038175 0.623502 0.057 Uiso 1 1 calc R U . . .
C178 C 0.7438(5) -0.0712(4) 0.7790(4) 0.048(2) Uani 1 1 d . . . . .
H178 H 0.756452 -0.061774 0.752014 0.057 Uiso 1 1 calc R U . . .
C179 C 0.7138(5) 0.1395(4) 0.6214(4) 0.050(2) Uani 1 1 d . . . . .
H179 H 0.742156 0.164041 0.614063 0.060 Uiso 1 1 calc R U . . .
C180 C 0.6640(4) 0.1651(4) 0.6347(4) 0.043(2) Uani 1 1 d . . . . .
C181 C 0.6580(5) 0.2310(4) 0.6340(4) 0.045(2) Uani 1 1 d . . . . .
C182 C 0.7123(5) 0.2725(4) 0.6614(5) 0.051(2) Uani 1 1 d . . . . .
H182 H 0.752072 0.258958 0.681881 0.061 Uiso 1 1 calc R U . . .
C183 C 0.7091(4) 0.3336(4) 0.6591(4) 0.048(2) Uani 1 1 d . . . . .
H183 H 0.746075 0.360553 0.678016 0.058 Uiso 1 1 calc R U . . .
C185 C 0.5949(5) 0.3132(4) 0.6004(4) 0.053(2) Uani 1 1 d . . . . .
H185 H 0.555223 0.326784 0.579735 0.063 Uiso 1 1 calc R U . . .
C186 C 0.5983(5) 0.2527(4) 0.6029(4) 0.052(2) Uani 1 1 d . . . . .
H186 H 0.561032 0.226051 0.584093 0.062 Uiso 1 1 calc R U . . .
C187 C 0.5936(5) 0.4510(4) 0.8169(4) 0.048(2) Uani 1 1 d . . . . .
H187 H 0.581659 0.482244 0.838135 0.058 Uiso 1 1 calc R U . . .
C188 C 0.5871(5) 0.3917(4) 0.8230(4) 0.045(2) Uani 1 1 d . . . . .
H188 H 0.569124 0.383466 0.847240 0.054 Uiso 1 1 calc R U . . .
C190 C 0.6895(5) 0.4246(5) 0.4463(4) 0.052(2) Uani 1 1 d . . . . .
H190 H 0.719101 0.416281 0.478946 0.062 Uiso 1 1 calc R U . . .
C191 C 0.6265(5) 0.4369(4) 0.4411(5) 0.053(2) Uani 1 1 d . . . . .
H191 H 0.613941 0.437028 0.470306 0.064 Uiso 1 1 calc R U . . .
C192 C 0.5821(4) 0.4490(4) 0.3929(4) 0.046(2) Uani 1 1 d . . . . .
C193 C 0.7914(4) 0.3482(4) 0.4123(4) 0.048(2) Uani 1 1 d . . . . .
H193 H 0.760227 0.322189 0.414683 0.057 Uiso 1 1 calc R U . . .
C194 C 0.9132(5) 0.2423(4) 0.4544(4) 0.050(2) Uani 1 1 d . . . . .
H194 H 0.944550 0.270857 0.481045 0.060 Uiso 1 1 calc R U . . .
C195 C 0.9214(5) 0.1809(4) 0.4536(4) 0.049(2) Uani 1 1 d . . . . .
H195 H 0.958846 0.168997 0.479034 0.058 Uiso 1 1 calc R U . . .
C196 C 0.8748(4) 0.1377(4) 0.4156(4) 0.045(2) Uani 1 1 d . . . . .
C197 C 0.8191(5) 0.1566(4) 0.3779(5) 0.056(3) Uani 1 1 d . . . . .
H197 H 0.786746 0.127889 0.352501 0.068 Uiso 1 1 calc R U . . .
C198 C 0.8115(4) 0.2164(4) 0.3778(4) 0.049(2) Uani 1 1 d . . . . .
H198 H 0.774276 0.227990 0.351868 0.059 Uiso 1 1 calc R U . . .
C199 C 0.8870(5) 0.0725(4) 0.4129(4) 0.048(2) Uani 1 1 d . . . . .
C201 C 0.9229(4) 0.0149(4) 0.5364(4) 0.0382(19) Uani 1 1 d . . . . .
C202 C 0.8719(4) 0.0272(4) 0.5595(4) 0.043(2) Uani 1 1 d . . . . .
C203 C 0.8087(5) 0.0004(5) 0.5317(5) 0.063(3) Uani 1 1 d . . . . .
H203 H 0.798504 -0.027661 0.499401 0.075 Uiso 1 1 calc R U . . .
C205 C 0.9649(4) 0.2525(4) 0.2771(4) 0.046(2) Uani 1 1 d . . . . .
H205 H 0.999658 0.227887 0.283502 0.055 Uiso 1 1 calc R U . . .
C206 C 0.8976(4) 0.1623(4) 0.2708(4) 0.041(2) Uani 1 1 d . . . . .
C207 C 0.9414(4) 0.1404(4) 0.3149(4) 0.046(2) Uani 1 1 d . . . . .
H207 H 0.973400 0.167009 0.343105 0.055 Uiso 1 1 calc R U . . .
C208 C 0.9381(5) 0.0795(4) 0.3175(4) 0.049(2) Uani 1 1 d . . . . .
H208 H 0.967692 0.065847 0.347402 0.058 Uiso 1 1 calc R U . . .
C209 C 1.0406(4) 0.3345(4) 0.2783(4) 0.040(2) Uani 1 1 d . . . . .
C210 C 1.0425(4) 0.3594(5) 0.2353(4) 0.051(2) Uani 1 1 d . . . . .
H210 H 1.003336 0.365466 0.207829 0.061 Uiso 1 1 calc R U . . .
C211 C 1.1029(4) 0.3756(4) 0.2327(4) 0.048(2) Uani 1 1 d . . . . .
H211 H 1.104023 0.391472 0.203540 0.057 Uiso 1 1 calc R U . . .
C212 C 1.1601(4) 0.3674(4) 0.2742(4) 0.043(2) Uani 1 1 d . . . . .
C213 C 1.1595(4) 0.3449(5) 0.3180(4) 0.054(2) Uani 1 1 d . . . . .
H213 H 1.198839 0.341283 0.346266 0.064 Uiso 1 1 calc R U . . .
C214 C 1.1001(5) 0.3274(4) 0.3201(4) 0.052(2) Uani 1 1 d . . . . .
H214 H 1.099923 0.311044 0.349216 0.062 Uiso 1 1 calc R U . . .
C215 C 0.7655(4) 0.4637(4) 0.2370(4) 0.0405(19) Uani 1 1 d . . . . .
C216 C 0.7030(4) 0.4367(4) 0.2207(4) 0.044(2) Uani 1 1 d . . . . .
H216 H 0.667634 0.460521 0.210905 0.053 Uiso 1 1 calc R U . . .
C217 C 0.7755(3) 0.52993(16) 0.2394(3) 0.043(2) Uani 1 1 d G . . . .
C218 C 0.8111(3) 0.5504(2) 0.2121(3) 0.055(3) Uani 1 1 d G . . . .
H218 H 0.826896 0.522828 0.190914 0.066 Uiso 1 1 calc R U . . .
C219 C 0.8231(3) 0.6122(2) 0.2165(3) 0.049(2) Uani 1 1 d G . . . .
H219 H 0.846896 0.625886 0.198302 0.059 Uiso 1 1 calc R U . . .
C252 C 0.7994(3) 0.65343(16) 0.2482(3) 0.042(2) Uani 1 1 d G . . . .
C12 C 0.7638(3) 0.6329(2) 0.2754(3) 0.050(2) Uani 1 1 d G . . . .
H12 H 0.747988 0.660531 0.296640 0.060 Uiso 1 1 calc R U . . .
C221 C 0.7518(3) 0.5712(2) 0.2710(3) 0.055(3) Uani 1 1 d G . . . .
H221 H 0.727988 0.557473 0.289253 0.066 Uiso 1 1 calc R U . . .
C222 C 0.9564(4) 0.7223(4) 0.3619(4) 0.0403(19) Uani 1 1 d . . . . .
H222 H 0.960995 0.739309 0.334484 0.048 Uiso 1 1 calc R U . . .
C223 C 1.1166(4) 0.4759(4) 0.4245(4) 0.0371(18) Uani 1 1 d . . . . .
C224 C 1.1528(4) 0.4447(4) 0.4650(4) 0.047(2) Uani 1 1 d . . . . .
H224 H 1.132835 0.430945 0.486029 0.056 Uiso 1 1 calc R U . . .
C225 C 1.1490(4) 0.4965(4) 0.3951(4) 0.047(2) Uani 1 1 d . . . . .
H225 H 1.126643 0.518391 0.368458 0.056 Uiso 1 1 calc R U . . .
C226 C 1.2165(4) 0.4338(4) 0.4747(4) 0.046(2) Uani 1 1 d . . . . .
H226 H 1.238991 0.412592 0.501827 0.056 Uiso 1 1 calc R U . . .
C227 C 0.9588(4) 0.2841(4) 0.9219(4) 0.046(2) Uani 1 1 d . . . . .
H227 H 0.936285 0.302619 0.892665 0.055 Uiso 1 1 calc R U . . .
C228 C 1.0244(4) 0.2701(4) 0.9323(4) 0.047(2) Uani 1 1 d . . . . .
H228 H 1.044716 0.279447 0.909801 0.057 Uiso 1 1 calc R U . . .
C229 C 1.0262(4) 0.2272(4) 1.0064(4) 0.044(2) Uani 1 1 d . . . . .
H229 H 1.048302 0.207356 1.034755 0.053 Uiso 1 1 calc R U . . .
O237 O 0.6543(3) 0.5400(2) 0.7424(2) 0.0361(13) Uani 1 1 d . . . . .
C238 C 0.2923(4) 0.1439(4) 0.8343(4) 0.043(2) Uani 1 1 d . . . . .
O239 O 0.2933(3) 0.1062(4) 0.8636(4) 0.070(2) Uani 1 1 d . . . . .
C241 C 0.7841(4) 0.4399(3) 0.9409(4) 0.0381(19) Uani 1 1 d . . . . .
C242 C 0.7808(5) 0.4577(4) 0.8941(4) 0.051(2) Uani 1 1 d . . . . .
H242 H 0.784689 0.429366 0.866079 0.061 Uiso 1 1 calc R U . . .
C243 C 0.7788(5) 0.4821(4) 0.9818(4) 0.053(2) Uani 1 1 d . . . . .
H243 H 0.780782 0.470524 1.013696 0.064 Uiso 1 1 calc R U . . .
C244 C 0.5121(4) 0.4599(4) 0.3850(4) 0.046(2) Uani 1 1 d . . . . .
O246 O 0.8567(4) -0.0634(3) 0.2339(3) 0.0513(16) Uani 1 1 d . . . . .
O247 O 1.2251(3) 0.3722(3) 0.2234(3) 0.0583(18) Uani 1 1 d . . . . .
O248 O 1.2728(3) 0.4000(3) 0.3128(3) 0.0604(19) Uani 1 1 d . . . . .
C249 C 1.2248(4) 0.3816(4) 0.2698(4) 0.044(2) Uani 1 1 d . . . . .
C250 C 0.7719(5) 0.5170(4) 0.8878(4) 0.049(2) Uani 1 1 d . . . . .
H250 H 0.769588 0.528184 0.855698 0.058 Uiso 1 1 calc R U . . .
C251 C 0.7702(5) 0.5422(4) 0.9763(4) 0.052(2) Uani 1 1 d . . . . .
H251 H 0.767277 0.570487 1.004706 0.062 Uiso 1 1 calc R U . . .
C253 C 0.8167(4) 0.7193(3) 0.2557(4) 0.0359(18) Uani 1 1 d . . . . .
O254 O 0.8539(3) 0.7359(2) 0.2331(3) 0.0440(14) Uani 1 1 d . . . . .
C255 C 0.8866(5) 0.0650(6) 0.6081(5) 0.070(3) Uani 1 1 d . . . . .
H255 H 0.929309 0.082233 0.627756 0.084 Uiso 1 1 calc R U . . .
C256 C 0.8395(6) 0.0780(6) 0.6285(5) 0.077(4) Uani 1 1 d . . . . .
H256 H 0.850970 0.102842 0.662575 0.093 Uiso 1 1 calc R U . . .
C257 C 0.7607(5) 0.0152(5) 0.5517(5) 0.066(3) Uani 1 1 d . . . . .
H257 H 0.718002 -0.002314 0.532316 0.079 Uiso 1 1 calc R U . . .
C258 C 0.6442(4) 0.4207(4) 0.6287(4) 0.0361(18) Uani 1 1 d . . . . .
O259 O 0.5891(3) 0.4384(3) 0.6034(3) 0.0496(16) Uani 1 1 d . . . . .
C269 C 0.6298(4) 0.5280(3) 0.7754(4) 0.0354(18) Uani 1 1 d . . . . .
O274 O 0.6160(3) 0.5701(2) 0.8058(3) 0.0526(17) Uani 1 1 d . . . . .
C276 C 0.7098(6) -0.1010(4) 0.8592(5) 0.057(3) Uani 1 1 d . . . . .
H276 H 0.698631 -0.110758 0.886843 0.068 Uiso 1 1 calc R U . . .
C279 C 0.6029(5) 0.4513(5) 0.3516(5) 0.060(3) Uani 1 1 d . . . . .
H279 H 0.573582 0.460624 0.319272 0.073 Uiso 1 1 calc R U . . .
C280 C 0.6666(4) 0.4401(5) 0.3568(5) 0.057(3) Uani 1 1 d . . . . .
H280 H 0.679934 0.443412 0.328604 0.068 Uiso 1 1 calc R U . . .
C282 C 0.8476(5) 0.0599(4) 0.2298(4) 0.057(3) Uani 1 1 d . . . . .
H282 H 0.816711 0.033022 0.200996 0.068 Uiso 1 1 calc R U . . .
O283 O 0.4734(3) 0.4668(3) 0.3388(3) 0.0519(17) Uani 1 1 d . . . . .
O284 O 0.4942(3) 0.4611(3) 0.4237(3) 0.0489(16) Uani 1 1 d . . . . .
C286 C 0.2337(4) 0.0922(4) 0.6630(4) 0.042(2) Uani 1 1 d . . . . .
O287 O 0.1924(3) 0.0965(3) 0.6159(3) 0.0514(17) Uani 1 1 d . . . . .
C289 C 0.7747(5) 0.0550(4) 0.5994(4) 0.047(2) Uani 1 1 d . . . . .
O295 O 0.7972(3) 0.7583(2) 0.2848(3) 0.0399(13) Uani 1 1 d . . . . .
C296 C 1.0582(4) 0.2432(4) 0.9749(4) 0.0370(18) Uani 1 1 d . . . . .
C297 C 1.1308(4) 0.2336(4) 0.9912(4) 0.0375(19) Uani 1 1 d . . . . .
O300 O 0.9763(3) 0.0469(3) 0.5601(3) 0.0476(15) Uani 1 1 d . . . . .
C302 C 0.7230(4) 0.0780(4) 0.6188(4) 0.044(2) Uani 1 1 d . . . . .
O303 O 1.1578(3) 0.2312(3) 0.9582(3) 0.0424(14) Uani 1 1 d . . . . .
O305 O 1.1632(3) 0.2298(3) 1.0401(3) 0.0421(14) Uani 1 1 d . . . . .
C308 C 0.7403(4) -0.0033(4) 1.0118(4) 0.043(2) Uani 1 1 d . . . . .
H308 H 0.779572 -0.014520 1.035534 0.051 Uiso 1 1 calc R U . . .
N20 N 0.900(3) -0.033(2) 0.9492(14) 0.42(2) Uiso 1 1 d D U . . .
H20A H 0.860206 -0.042603 0.923289 0.505 Uiso 1 1 calc R U . . .
H20B H 0.929251 -0.042412 0.933969 0.505 Uiso 1 1 calc R U . . .
C15 C 0.909(3) -0.0703(19) 0.991(2) 0.43(2) Uiso 1 1 d D U . . .
H15A H 0.892842 -0.040356 1.011534 0.648 Uiso 1 1 d R U . . .
H15B H 0.954114 -0.075776 1.012534 0.648 Uiso 1 1 d R U . . .
H15C H 0.883154 -0.107926 0.981114 0.648 Uiso 1 1 d R U . . .
C14 C 0.909(3) 0.0327(19) 0.972(2) 0.42(2) Uiso 1 1 d D U . . .
H14A H 0.866215 0.048165 0.959275 0.627 Uiso 1 1 d R U . . .
H14B H 0.933246 0.043055 0.951955 0.627 Uiso 1 1 d R U . . .
H14C H 0.931766 0.050125 1.010175 0.627 Uiso 1 1 d R U . . .
C17 C 0.8212(17) 0.4699(15) 0.7632(14) 0.111(10) Uiso 0.5 1 d D . P . .
H17A H 0.779858 0.449220 0.756554 0.166 Uiso 0.5 1 d R U P . .
H17B H 0.818478 0.484710 0.731354 0.166 Uiso 0.5 1 d R U P . .
H17C H 0.831358 0.503220 0.793354 0.166 Uiso 0.5 1 d R U P . .
C16 C 0.855(3) 0.3731(19) 0.794(2) 0.19(2) Uiso 0.5 1 d D . P . .
H16A H 0.843910 0.386536 0.825228 0.287 Uiso 0.5 1 d R U P . .
H16B H 0.894970 0.352736 0.805488 0.287 Uiso 0.5 1 d R U P . .
H16C H 0.820340 0.345684 0.766998 0.287 Uiso 0.5 1 d R U P . .
N46 N 0.872(2) 0.429(3) 0.781(4) 0.44(6) Uiso 0.5 1 d D . P . .
H46A H 0.905384 0.449500 0.809821 0.522 Uiso 0.5 1 calc R U P . .
H46B H 0.887539 0.419260 0.754410 0.522 Uiso 0.5 1 calc R U P . .
N N 0.532(3) 0.5251(17) 0.938(2) 0.21(2) Uiso 0.5 1 d D . P . .
HA H 0.527166 0.500015 0.906880 0.252 Uiso 0.5 1 calc R U P . .
HB H 0.541412 0.503128 0.963607 0.252 Uiso 0.5 1 calc R U P . .
C18 C 0.588(2) 0.568(2) 0.952(2) 0.20(2) Uiso 0.5 1 d D . P . .
H18A H 0.572339 0.607234 0.959619 0.293 Uiso 0.5 1 d R U P . .
H18B H 0.608369 0.569324 0.926199 0.293 Uiso 0.5 1 d R U P . .
H18C H 0.619469 0.559104 0.984769 0.293 Uiso 0.5 1 d R U P . .
C22 C 0.469(2) 0.549(4) 0.931(4) 0.41(7) Uiso 0.5 1 d D . P . .
H22A H 0.463698 0.588965 0.921919 0.621 Uiso 0.5 1 d R U P . .
H22B H 0.461898 0.549565 0.963689 0.621 Uiso 0.5 1 d R U P . .
H22C H 0.437807 0.520535 0.901629 0.621 Uiso 0.5 1 d R U P . .
N35 N 0.910(2) -0.084(2) 0.7315(18) 0.205(19) Uiso 0.5 1 d D . P . .
H35A H 0.890870 -0.081785 0.755592 0.246 Uiso 0.5 1 calc R U P . .
H35B H 0.943975 -0.106358 0.742525 0.246 Uiso 0.5 1 calc R U P . .
C52 C 0.934(3) -0.024(2) 0.732(2) 0.22(3) Uiso 0.5 1 d D . P . .
H52A H 0.931106 -0.009386 0.700364 0.334 Uiso 0.5 1 d R U P . .
H52B H 0.978746 -0.025596 0.755303 0.334 Uiso 0.5 1 d R U P . .
H52C H 0.912856 0.002794 0.751693 0.334 Uiso 0.5 1 d R U P . .
C4 C 0.862(4) -0.117(3) 0.679(3) 0.35(5) Uiso 0.5 1 d D . P . .
H4A H 0.826296 -0.145893 0.671919 0.524 Uiso 0.5 1 d R U P . .
H4B H 0.894236 -0.137363 0.667079 0.524 Uiso 0.5 1 d R U P . .
H4C H 0.846536 -0.085324 0.659159 0.524 Uiso 0.5 1 d R U P . .
C6W C 0.4377(10) 0.2771(9) 0.5153(8) 0.050(4) Uiso 0.5 1 d D . P . .
H6WA H 0.439048 0.272699 0.479790 0.075 Uiso 0.5 1 d R U P . .
H6WB H 0.474808 0.259549 0.538580 0.075 Uiso 0.5 1 d R U P . .
H6WC H 0.439328 0.319269 0.530360 0.075 Uiso 0.5 1 d R U P . .
C9 C 0.375(3) 0.1904(19) 0.522(2) 0.21(3) Uiso 0.5 1 d D . P . .
H9A H 0.380947 0.157142 0.497752 0.319 Uiso 0.5 1 d DR U P . .
H9B H 0.335087 0.181662 0.527722 0.319 Uiso 0.5 1 d DR U P . .
H9C H 0.411377 0.196312 0.556772 0.319 Uiso 0.5 1 d DR U P . .
N29 N 0.3743(15) 0.249(2) 0.506(2) 0.27(3) Uiso 0.5 1 d D . P . .
H29A H 0.349623 0.244471 0.470326 0.328 Uiso 0.5 1 calc DR U P . .
H29B H 0.355220 0.274845 0.523371 0.328 Uiso 0.5 1 calc DR U P . .
C60 C 1.036(3) 0.357(3) 0.820(2) 0.33(5) Uiso 0.5 1 d D . P . .
H60A H 0.996544 0.378165 0.806498 0.492 Uiso 0.5 1 d R U P . .
H60B H 1.024834 0.319505 0.827278 0.492 Uiso 0.5 1 d R U P . .
H60C H 1.054744 0.350275 0.793098 0.492 Uiso 0.5 1 d R U P . .
N31 N 1.0871(13) 0.3924(12) 0.8713(10) 0.098(7) Uiso 0.5 1 d D . P . .
H31A H 1.077041 0.388075 0.899393 0.117 Uiso 0.5 1 calc R U P . .
H31B H 1.125635 0.377200 0.876068 0.117 Uiso 0.5 1 calc R U P . .
C61 C 1.093(6) 0.4572(18) 0.870(4) 0.56(10) Uiso 0.5 1 d D . P . .
H61A H 1.108462 0.482052 0.905832 0.834 Uiso 0.5 1 d R U P . .
H61B H 1.051652 0.469982 0.847842 0.834 Uiso 0.5 1 d R U P . .
H61C H 1.124392 0.461112 0.853962 0.834 Uiso 0.5 1 d R U P . .
C63 C 0.652(4) 0.132(3) 0.296(3) 0.31(5) Uiso 0.5 1 d D . P B 1
H63A H 0.684880 0.111473 0.287179 0.468 Uiso 0.5 1 d R U P B 1
H63B H 0.614230 0.104633 0.287259 0.468 Uiso 0.5 1 d R U P B 1
H63C H 0.668690 0.149413 0.334459 0.468 Uiso 0.5 1 d R U P B 1
N23 N 0.615(4) 0.186(3) 0.2855(19) 0.42(5) Uiso 0.5 1 d D . P B 1
H23A H 0.574701 0.173663 0.261781 0.502 Uiso 0.5 1 calc R U P B 1
H23B H 0.634044 0.207216 0.269531 0.502 Uiso 0.5 1 calc R U P B 1
C62 C 0.611(2) 0.2266(18) 0.3327(18) 0.134(14) Uiso 0.5 1 d D . P B 1
H62A H 0.645225 0.258924 0.345261 0.202 Uiso 0.5 1 d R U P B 1
H62B H 0.604905 0.215894 0.363301 0.202 Uiso 0.5 1 d R U P B 1
H62C H 0.571065 0.239434 0.308791 0.202 Uiso 0.5 1 d R U P B 1
N12 N 0.4081(11) 0.3639(12) 0.6496(10) 0.106(8) Uiso 0.5 1 d D . P . .
C58 C 0.3466(13) 0.3807(17) 0.6137(14) 0.121(12) Uiso 0.5 1 d D . P . .
H58 H 0.347649 0.398848 0.585701 0.145 Uiso 0.5 1 calc R U P . .
O78 O 0.2943(16) 0.3736(17) 0.6162(16) 0.191(14) Uiso 0.5 1 d D . P . .
C51 C 0.410(2) 0.354(3) 0.7008(15) 0.25(3) Uiso 0.5 1 d D . P . .
H51A H 0.367857 0.341481 0.700362 0.377 Uiso 0.5 1 d R U P . .
H51B H 0.422487 0.394941 0.719982 0.377 Uiso 0.5 1 d R U P . .
H51C H 0.442017 0.328051 0.718732 0.377 Uiso 0.5 1 d R U P . .
C80 C 0.4645(12) 0.3858(14) 0.6433(12) 0.095(9) Uiso 0.5 1 d D . P . .
H80A H 0.448496 0.394866 0.607349 0.143 Uiso 0.5 1 d R U P . .
H80B H 0.496056 0.356086 0.645999 0.143 Uiso 0.5 1 d R U P . .
H80C H 0.485086 0.422045 0.669589 0.143 Uiso 0.5 1 d R U P . .
C78 C 0.643(2) 0.1465(17) 0.3445(18) 0.140(14) Uiso 0.5 1 d D . P C 2
H78A H 0.617925 0.110886 0.343624 0.209 Uiso 0.5 1 d R U P C 2
H78B H 0.688025 0.145076 0.367074 0.209 Uiso 0.5 1 d R U P C 2
H78C H 0.638495 0.148516 0.308214 0.209 Uiso 0.5 1 d R U P C 2
N34 N 0.642(5) 0.180(3) 0.396(2) 0.43(6) Uiso 0.5 1 d D . P C 2
H34A H 0.657658 0.165386 0.424813 0.513 Uiso 0.5 1 calc R U P C 2
C84 C 0.615(3) 0.238(2) 0.396(2) 0.19(2) Uiso 0.5 1 d D . P C 2
H84A H 0.649481 0.267999 0.402186 0.292 Uiso 0.5 1 d R U P C 2
H84B H 0.580421 0.258119 0.404706 0.292 Uiso 0.5 1 d R U P C 2
H84C H 0.597621 0.217669 0.359086 0.292 Uiso 0.5 1 d R U P C 2
O4 O 1.1792(4) 0.1065(4) 0.8820(3) 0.068(2) Uiso 1 1 d G . . . .
H4D H 1.196020 0.112268 0.916537 0.102 Uiso 1 1 d G U . . .
H4E H 1.176084 0.068833 0.868937 0.102 Uiso 1 1 d G U . . .
O2 O 0.4751(4) 0.4052(4) 0.5031(4) 0.075(2) Uiso 1 1 d G . . . .
H2A H 0.499273 0.438217 0.516066 0.112 Uiso 1 1 d G U . . .
H2B H 0.477268 0.392897 0.472337 0.112 Uiso 1 1 d G U . . .
O3 O 1.1766(4) 0.2934(4) 0.8836(4) 0.074(2) Uiso 1 1 d G . . . .
H3A H 1.146876 0.317716 0.881827 0.111 Uiso 1 1 d G U . . .
H3B H 1.158380 0.264648 0.856506 0.111 Uiso 1 1 d G U . . .
C10 C 0.781(2) 0.3564(16) 1.100(2) 0.163(18) Uiso 0.5 1 d D . P . .
H10A H 0.756345 0.356780 1.062401 0.244 Uiso 0.5 1 d R U P . .
H10B H 0.807235 0.394080 1.117391 0.244 Uiso 0.5 1 d R U P . .
H10C H 0.751245 0.351220 1.117661 0.244 Uiso 0.5 1 d R U P . .
N11 N 0.8231(16) 0.3044(16) 1.1073(16) 0.153(13) Uiso 0.5 1 d D . P . .
H11A H 0.838236 0.297604 1.080778 0.184 Uiso 0.5 1 calc R U P . .
H11B H 0.857385 0.313611 1.138904 0.184 Uiso 0.5 1 calc R U P . .
C116 C 0.786(3) 0.2486(17) 1.106(3) 0.22(3) Uiso 0.5 1 d D . P . .
H11C H 0.760323 0.231463 1.068418 0.336 Uiso 0.5 1 d R U P . .
H11D H 0.757033 0.255463 1.125328 0.336 Uiso 0.5 1 d R U P . .
H11E H 0.817353 0.221283 1.121738 0.336 Uiso 0.5 1 d R U P . .
N1 N 0.8267(14) 0.2477(13) 0.5631(11) 0.160(14) Uiso 0.5 1 d D . P . .
C11 C 0.8084(18) 0.1886(15) 0.5293(15) 0.146(15) Uiso 0.5 1 d D . P . .
H11 H 0.841142 0.161766 0.536605 0.176 Uiso 0.5 1 calc R U P . .
O20 O 0.7567(18) 0.1684(15) 0.4927(14) 0.207(16) Uiso 0.5 1 d D . P . .
C27 C 0.791(2) 0.2980(15) 0.5457(19) 0.20(2) Uiso 0.5 1 d D . P . .
H27A H 0.807606 0.313812 0.522514 0.299 Uiso 0.5 1 d R U P . .
H27B H 0.794976 0.329022 0.576454 0.299 Uiso 0.5 1 d R U P . .
H27C H 0.744946 0.284502 0.525714 0.299 Uiso 0.5 1 d R U P . .
C13 C 0.884(2) 0.258(2) 0.6123(16) 0.24(3) Uiso 0.5 1 d D . P . .
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'
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
C231 O285 Gd03 150.5(6) . 2_766 ?
O298 C231 O285 122.6(8) . . ?
O298 C231 C233 118.6(8) . . ?
O285 C231 C233 118.8(8) . . ?
C235 C233 C226 118.5(8) . . ?
C235 C233 C231 121.3(8) . . ?
C226 C233 C231 120.2(8) . . ?
C233 C235 C225 119.9(8) . . ?
C233 C235 H235 120.1 . . ?
C225 C235 H235 120.1 . . ?
C307 O17 Gd01 137.1(5) . 1_454 ?
C307 O9 Gd05 137.2(6) . 2_666 ?
O17 C307 O9 124.2(7) . . ?
O17 C307 C291 120.8(8) . . ?
O9 C307 C291 114.9(8) . . ?
C48 O60 Gd01 91.9(5) . 2_757 ?
C48 O61 Gd01 94.2(5) . 2_757 ?
O60 C48 O61 120.6(7) . . ?
O60 C48 C49 120.8(7) . . ?
O61 C48 C49 118.4(7) . . ?
O60 C48 Gd01 62.3(4) . 2_757 ?
O61 C48 Gd01 58.9(4) . 2_757 ?
C49 C48 Gd01 168.6(6) . 2_757 ?
C308 C49 C50 118.3(7) . . ?
C308 C49 C48 122.0(7) . . ?
C50 C49 C48 119.5(8) . . ?
C114 O16 Gd01 152.5(6) . 1_455 ?
O116 C114 O16 123.0(8) . . ?
O116 C114 C115 118.9(8) . . ?
O16 C114 C115 118.0(8) . . ?
C149 C115 C150 118.1(7) . . ?
C149 C115 C114 121.9(8) . . ?
C150 C115 C114 120.0(8) . . ?
C266 O10 Gd05 149.7(6) . . ?
C266 O267 Gd01 124.7(6) . 2_767 ?
O267 C266 O10 125.5(8) . . ?
O267 C266 C268 116.6(8) . . ?
O10 C266 C268 117.9(8) . . ?
C251 C268 C250 118.5(8) . . ?
C251 C268 C266 120.6(8) . . ?
C250 C268 C266 120.8(8) . . ?
C138 O141 Gd05 151.6(6) . 1_545 ?
C138 O141 Gd03 87.6(5) . 1_545 ?
Gd05 O141 Gd03 103.2(2) 1_545 1_545 ?
C138 O142 Gd03 103.7(5) . 1_545 ?
O142 C138 O141 119.8(8) . . ?
O142 C138 C137 119.8(8) . . ?
O141 C138 C137 120.4(8) . . ?
O142 C138 Gd03 52.5(4) . 1_545 ?
O141 C138 Gd03 67.3(4) . 1_545 ?
C137 C138 Gd03 172.2(7) . 1_545 ?
C270 C137 C135 119.6(8) . . ?
C270 C137 C138 118.5(9) . . ?
C135 C137 C138 121.9(8) . . ?
C137 C270 C271 119.7(10) . . ?
C137 C270 H270 120.2 . . ?
C271 C270 H270 120.2 . . ?
C166 C271 C270 121.5(9) . . ?
C166 C271 H271 119.2 . . ?
C270 C271 H271 119.2 . . ?
C136 C166 C271 117.5(8) . . ?
C136 C166 C175 122.2(8) . . ?
C271 C166 C175 120.3(8) . . ?
C54 O57 Gd02 97.2(5) . 1_655 ?
C54 O58 Gd02 89.8(5) . 1_655 ?
O57 C54 O58 120.9(7) . . ?
O57 C54 C56 118.1(7) . . ?
O58 C54 C56 120.9(7) . . ?
O57 C54 Gd02 57.2(4) . 1_655 ?
O58 C54 Gd02 64.1(4) . 1_655 ?
C56 C54 Gd02 169.9(6) . 1_655 ?
C59 C56 C95 119.6(7) . . ?
C59 C56 C54 119.4(7) . . ?
C95 C56 C54 120.8(7) . . ?
C56 C95 C96 119.7(8) . . ?
C56 C95 H95 120.2 . . ?
C96 C95 H95 120.2 . . ?
C123 C96 C95 121.2(8) . . ?
C123 C96 H96 119.4 . . ?
C95 C96 H96 119.4 . . ?
C96 C123 C122 117.9(7) . . ?
C96 C123 C101 121.1(7) . . ?
C122 C123 C101 120.7(8) . . ?
C132 O278 Gd01 172.9(6) . 2_757 ?
C132 O11 Gd05 120.8(5) . 1_545 ?
O278 C132 O11 123.5(7) . . ?
O278 C132 C133 117.4(8) . . ?
O11 C132 C133 119.1(8) . . ?
C276 C133 C275 118.9(8) . . ?
C276 C133 C132 118.5(7) . . ?
C275 C133 C132 122.6(8) . . ?
C159 C277 C276 119.8(9) . . ?
C159 C277 H277 120.1 . . ?
C276 C277 H277 120.1 . . ?
C133 C275 C178 120.6(9) . . ?
C133 C275 H275 119.7 . . ?
C178 C275 H275 119.7 . . ?
O16 Gd01 O278 159.2(2) 1_655 2_757 ?
O16 Gd01 O17 82.1(2) 1_655 1_656 ?
O278 Gd01 O17 81.1(2) 2_757 1_656 ?
O16 Gd01 O267 83.3(2) 1_655 2_767 ?
O278 Gd01 O267 106.3(2) 2_757 2_767 ?
O17 Gd01 O267 81.7(2) 1_656 2_767 ?
O16 Gd01 O61 89.4(2) 1_655 2_757 ?
O278 Gd01 O61 91.1(2) 2_757 2_757 ?
O17 Gd01 O61 127.5(2) 1_656 2_757 ?
O267 Gd01 O61 148.7(2) 2_767 2_757 ?
O16 Gd01 O305 130.7(2) 1_655 . ?
O278 Gd01 O305 69.9(2) 2_757 . ?
O17 Gd01 O305 139.1(2) 1_656 . ?
O267 Gd01 O305 79.6(2) 2_767 . ?
O61 Gd01 O305 82.3(2) 2_757 . ?
O16 Gd01 O60 83.7(2) 1_655 2_757 ?
O278 Gd01 O60 80.1(2) 2_757 2_757 ?
O17 Gd01 O60 75.0(2) 1_656 2_757 ?
O267 Gd01 O60 154.6(2) 2_767 2_757 ?
O61 Gd01 O60 52.60(19) 2_757 2_757 ?
O305 Gd01 O60 125.0(2) . 2_757 ?
O16 Gd01 O303 80.5(2) 1_655 . ?
O278 Gd01 O303 119.61(19) 2_757 . ?
O17 Gd01 O303 152.1(2) 1_656 . ?
O267 Gd01 O303 74.9(2) 2_767 . ?
O61 Gd01 O303 73.87(19) 2_757 . ?
O305 Gd01 O303 50.52(19) . . ?
O60 Gd01 O303 124.1(2) 2_757 . ?
O16 Gd01 C48 88.2(2) 1_655 2_757 ?
O278 Gd01 C48 83.0(2) 2_757 2_757 ?
O17 Gd01 C48 100.9(2) 1_656 2_757 ?
O267 Gd01 C48 170.7(2) 2_767 2_757 ?
O61 Gd01 C48 26.9(2) 2_757 2_757 ?
O305 Gd01 C48 103.4(2) . 2_757 ?
O60 Gd01 C48 25.9(2) 2_757 2_757 ?
O303 Gd01 C48 100.1(2) . 2_757 ?
O16 Gd01 C297 105.3(2) 1_655 . ?
O278 Gd01 C297 95.2(2) 2_757 . ?
O17 Gd01 C297 153.2(2) 1_656 . ?
O267 Gd01 C297 73.9(2) 2_767 . ?
O61 Gd01 C297 78.8(2) 2_757 . ?
O305 Gd01 C297 25.4(2) . . ?
O60 Gd01 C297 130.8(2) 2_757 . ?
O303 Gd01 C297 25.2(2) . . ?
C48 Gd01 C297 105.0(2) 2_757 . ?
C199 O1 Gd04 90.9(5) . . ?
C185 C1 C183 119.3(8) . . ?
C185 C1 C258 121.3(8) . . ?
C183 C1 C258 119.2(8) . . ?
O14 Gd02 O165 153.41(19) . 2_666 ?
O14 Gd02 O15 77.2(2) . . ?
O165 Gd02 O15 85.2(2) 2_666 . ?
O14 Gd02 O254 80.4(2) . 2_666 ?
O165 Gd02 O254 96.4(2) 2_666 2_666 ?
O15 Gd02 O254 130.2(2) . 2_666 ?
O14 Gd02 O246 79.9(2) . 2_656 ?
O165 Gd02 O246 116.1(2) 2_666 2_656 ?
O15 Gd02 O246 78.1(2) . 2_656 ?
O254 Gd02 O246 139.9(2) 2_666 2_656 ?
O14 Gd02 O57 131.1(2) . 1_455 ?
O165 Gd02 O57 72.69(19) 2_666 1_455 ?
O15 Gd02 O57 146.9(2) . 1_455 ?
O254 Gd02 O57 77.7(2) 2_666 1_455 ?
O246 Gd02 O57 89.6(2) 2_656 1_455 ?
O14 Gd02 O295 81.0(2) . 2_666 ?
O165 Gd02 O295 76.24(19) 2_666 2_666 ?
O15 Gd02 O295 79.7(2) . 2_666 ?
O254 Gd02 O295 53.11(19) 2_666 2_666 ?
O246 Gd02 O295 153.3(2) 2_656 2_666 ?
O57 Gd02 O295 117.0(2) 1_455 2_666 ?
O14 Gd02 O58 80.10(19) . 1_455 ?
O165 Gd02 O58 124.23(18) 2_666 1_455 ?
O15 Gd02 O58 144.2(2) . 1_455 ?
O254 Gd02 O58 71.5(2) 2_666 1_455 ?
O246 Gd02 O58 70.8(2) 2_656 1_455 ?
O57 Gd02 O58 51.61(19) 1_455 1_455 ?
O295 Gd02 O58 123.61(19) 2_666 1_455 ?
O14 Gd02 O13 123.3(2) . 2_656 ?
O165 Gd02 O13 66.58(17) 2_666 2_656 ?
O15 Gd02 O13 69.3(2) . 2_656 ?
O254 Gd02 O13 154.7(2) 2_666 2_656 ?
O246 Gd02 O13 49.7(2) 2_656 2_656 ?
O57 Gd02 O13 79.2(2) 1_455 2_656 ?
O295 Gd02 O13 132.65(18) 2_666 2_656 ?
O58 Gd02 O13 101.72(18) 1_455 2_656 ?
O14 Gd02 C253 78.9(2) . 2_666 ?
O165 Gd02 C253 86.6(2) 2_666 2_666 ?
O15 Gd02 C253 104.8(2) . 2_666 ?
O254 Gd02 C253 26.7(2) 2_666 2_666 ?
O246 Gd02 C253 157.3(2) 2_656 2_666 ?
O57 Gd02 C253 98.3(2) 1_455 2_666 ?
O295 Gd02 C253 26.5(2) 2_666 2_666 ?
O58 Gd02 C253 97.6(2) 1_455 2_666 ?
O13 Gd02 C253 152.7(2) 2_656 2_666 ?
O14 Gd02 C54 106.2(2) . 1_455 ?
O165 Gd02 C54 98.3(2) 2_666 1_455 ?
O15 Gd02 C54 154.5(2) . 1_455 ?
O254 Gd02 C54 74.8(2) 2_666 1_455 ?
O246 Gd02 C54 77.7(2) 2_656 1_455 ?
O57 Gd02 C54 25.6(2) 1_455 1_455 ?
O295 Gd02 C54 125.8(2) 2_666 1_455 ?
O58 Gd02 C54 26.1(2) 1_455 1_455 ?
O13 Gd02 C54 88.8(2) 2_656 1_455 ?
C253 Gd02 C54 100.7(2) 2_666 1_455 ?
O14 Gd02 C143 100.6(2) . 2_656 ?
O165 Gd02 C143 92.0(2) 2_666 2_656 ?
O15 Gd02 C143 70.7(2) . 2_656 ?
O254 Gd02 C143 158.0(2) 2_666 2_656 ?
O246 Gd02 C143 24.3(2) 2_656 2_656 ?
O57 Gd02 C143 85.5(2) 1_455 2_656 ?
O295 Gd02 C143 148.9(2) 2_666 2_656 ?
O58 Gd02 C143 86.9(2) 1_455 2_656 ?
O13 Gd02 C143 25.5(2) 2_656 2_656 ?
C253 Gd02 C143 175.4(2) 2_666 2_656 ?
C54 Gd02 C143 83.9(2) 1_455 2_656 ?
C21 C2 C99 121.0(8) . . ?
C21 C2 H2 119.5 . . ?
C99 C2 H2 119.5 . . ?
O285 Gd03 O248 81.6(3) 2_766 2_766 ?
O285 Gd03 O283 137.0(2) 2_766 2_666 ?
O248 Gd03 O283 138.1(3) 2_766 2_666 ?
O285 Gd03 O259 80.1(2) 2_766 . ?
O248 Gd03 O259 134.1(2) 2_766 . ?
O283 Gd03 O259 78.7(2) 2_666 . ?
O285 Gd03 O142 78.4(2) 2_766 1_565 ?
O248 Gd03 O142 78.4(2) 2_766 1_565 ?
O283 Gd03 O142 92.5(2) 2_666 1_565 ?
O259 Gd03 O142 137.0(2) . 1_565 ?
O285 Gd03 O12 80.2(2) 2_766 . ?
O248 Gd03 O12 82.9(2) 2_766 . ?
O283 Gd03 O12 114.1(2) 2_666 . ?
O259 Gd03 O12 52.7(2) . . ?
O142 Gd03 O12 153.3(2) 1_565 . ?
O285 Gd03 O237 150.39(19) 2_766 . ?
O248 Gd03 O237 77.5(2) 2_766 . ?
O283 Gd03 O237 70.5(2) 2_666 . ?
O259 Gd03 O237 99.8(2) . . ?
O142 Gd03 O237 116.9(2) 1_565 . ?
O12 Gd03 O237 76.68(19) . . ?
O285 Gd03 O284 85.5(2) 2_766 2_666 ?
O248 Gd03 O284 147.2(2) 2_766 2_666 ?
O283 Gd03 O284 52.4(2) 2_666 2_666 ?
O259 Gd03 O284 72.0(2) . 2_666 ?
O142 Gd03 O284 69.5(2) 1_565 2_666 ?
O12 Gd03 O284 124.4(2) . 2_666 ?
O237 Gd03 O284 122.92(18) . 2_666 ?
O285 Gd03 O141 123.6(2) 2_766 1_565 ?
O248 Gd03 O141 70.7(2) 2_766 1_565 ?
O283 Gd03 O141 72.7(2) 2_666 1_565 ?
O259 Gd03 O141 151.2(2) . 1_565 ?
O142 Gd03 O141 48.9(2) 1_565 1_565 ?
O12 Gd03 O141 139.55(19) . 1_565 ?
O237 Gd03 O141 68.18(17) . 1_565 ?
O284 Gd03 O141 92.2(2) 2_666 1_565 ?
O285 Gd03 C258 80.6(2) 2_766 . ?
O248 Gd03 C258 108.9(2) 2_766 . ?
O283 Gd03 C258 95.7(2) 2_666 . ?
O259 Gd03 C258 26.5(2) . . ?
O142 Gd03 C258 156.5(2) 1_565 . ?
O12 Gd03 C258 26.3(2) . . ?
O237 Gd03 C258 86.6(2) . . ?
O284 Gd03 C258 98.5(2) 2_666 . ?
O141 Gd03 C258 154.4(2) 1_565 . ?
O285 Gd03 C244 111.9(3) 2_766 2_666 ?
O248 Gd03 C244 149.2(3) 2_766 2_666 ?
O283 Gd03 C244 26.4(3) 2_666 2_666 ?
O259 Gd03 C244 76.5(2) . 2_666 ?
O142 Gd03 C244 77.6(3) 1_565 2_666 ?
O12 Gd03 C244 125.7(2) . 2_666 ?
O237 Gd03 C244 96.7(2) . 2_666 ?
O284 Gd03 C244 26.4(2) 2_666 2_666 ?
O141 Gd03 C244 79.0(2) 1_565 2_666 ?
C258 Gd03 C244 100.8(3) . 2_666 ?
O285 Gd03 C138 100.6(2) 2_766 1_565 ?
O248 Gd03 C138 73.3(2) 2_766 1_565 ?
O283 Gd03 C138 82.1(2) 2_666 1_565 ?
O259 Gd03 C138 151.6(2) . 1_565 ?
O142 Gd03 C138 23.8(2) 1_565 1_565 ?
O12 Gd03 C138 155.7(2) . 1_565 ?
O237 Gd03 C138 93.2(2) . 1_565 ?
O284 Gd03 C138 79.7(2) 2_666 1_565 ?
O141 Gd03 C138 25.1(2) 1_565 1_565 ?
C258 Gd03 C138 177.7(2) . 1_565 ?
C244 Gd03 C138 77.0(2) 2_666 1_565 ?
C170 C3 C172 120.5(8) . . ?
C170 C3 H3 119.7 . . ?
C172 C3 H3 119.7 . . ?
O300 Gd04 O80 96.2(2) 2_756 . ?
O300 Gd04 O287 154.7(2) 2_756 2_656 ?
O80 Gd04 O287 84.4(2) . 2_656 ?
O300 Gd04 O13 88.3(2) 2_756 . ?
O80 Gd04 O13 162.5(2) . . ?
O287 Gd04 O13 98.7(2) 2_656 . ?
O300 Gd04 O164 80.7(2) 2_756 1_545 ?
O80 Gd04 O164 75.8(2) . 1_545 ?
O287 Gd04 O164 74.9(2) 2_656 1_545 ?
O13 Gd04 O164 121.65(19) . 1_545 ?
O300 Gd04 O147 77.7(2) 2_756 . ?
O80 Gd04 O147 79.5(2) . . ?
O287 Gd04 O147 127.0(2) 2_656 . ?
O13 Gd04 O147 85.1(2) . . ?
O164 Gd04 O147 144.9(2) 1_545 . ?
O300 Gd04 O1 130.4(2) 2_756 . ?
O80 Gd04 O1 82.5(3) . . ?
O287 Gd04 O1 74.8(2) 2_656 . ?
O13 Gd04 O1 81.7(2) . . ?
O164 Gd04 O1 144.2(2) 1_545 . ?
O147 Gd04 O1 53.2(2) . . ?
O300 Gd04 O165 84.60(19) 2_756 1_545 ?
O80 Gd04 O165 127.10(19) . 1_545 ?
O287 Gd04 O165 75.2(2) 2_656 1_545 ?
O13 Gd04 O165 70.06(17) . 1_545 ?
O164 Gd04 O165 52.01(18) 1_545 1_545 ?
O147 Gd04 O165 149.8(2) . 1_545 ?
O1 Gd04 O165 134.6(2) . 1_545 ?
O300 Gd04 C199 103.8(3) 2_756 . ?
O80 Gd04 C199 80.0(3) . . ?
O287 Gd04 C199 101.2(2) 2_656 . ?
O13 Gd04 C199 82.6(2) . . ?
O164 Gd04 C199 155.7(2) 1_545 . ?
O147 Gd04 C199 26.4(2) . . ?
O1 Gd04 C199 26.9(2) . . ?
O165 Gd04 C199 151.2(2) 1_545 . ?
O300 Gd04 C161 81.6(2) 2_756 1_545 ?
O80 Gd04 C161 101.1(2) . 1_545 ?
O287 Gd04 C161 73.5(2) 2_656 1_545 ?
O13 Gd04 C161 96.2(2) . 1_545 ?
O164 Gd04 C161 25.6(2) 1_545 1_545 ?
O147 Gd04 C161 159.2(2) . 1_545 ?
O1 Gd04 C161 147.5(2) . 1_545 ?
O165 Gd04 C161 26.38(19) 1_545 1_545 ?
C199 Gd04 C161 174.3(3) . 1_545 ?
O300 Gd04 Gd02 103.25(16) 2_756 2_656 ?
O80 Gd04 Gd02 149.65(15) . 2_656 ?
O287 Gd04 Gd02 68.09(18) 2_656 2_656 ?
O13 Gd04 Gd02 42.75(14) . 2_656 ?
O164 Gd04 Gd02 84.54(14) 1_545 2_656 ?
O147 Gd04 Gd02 127.14(17) . 2_656 ?
O1 Gd04 Gd02 101.48(18) . 2_656 ?
O165 Gd04 Gd02 34.93(11) 1_545 2_656 ?
C199 Gd04 Gd02 116.8(2) . 2_656 ?
C161 Gd04 Gd02 59.80(16) 1_545 2_656 ?
O9 Gd05 O10 95.4(2) 2_666 . ?
O9 Gd05 O141 87.6(2) 2_666 1_565 ?
O10 Gd05 O141 176.2(2) . 1_565 ?
O9 Gd05 O247 160.2(2) 2_666 2_766 ?
O10 Gd05 O247 80.4(3) . 2_766 ?
O141 Gd05 O247 97.6(3) 1_565 2_766 ?
O9 Gd05 O11 82.7(2) 2_666 1_565 ?
O10 Gd05 O11 95.9(2) . 1_565 ?
O141 Gd05 O11 86.8(2) 1_565 1_565 ?
O247 Gd05 O11 78.5(2) 2_766 1_565 ?
O9 Gd05 O274 77.7(2) 2_666 . ?
O10 Gd05 O274 79.7(2) . . ?
O141 Gd05 O274 98.7(2) 1_565 . ?
O247 Gd05 O274 120.0(2) 2_766 . ?
O11 Gd05 O274 159.4(2) 1_565 . ?
O9 Gd05 O237 122.73(19) 2_666 . ?
O10 Gd05 O237 100.8(2) . . ?
O141 Gd05 O237 75.6(2) 1_565 . ?
O247 Gd05 O237 77.1(2) 2_766 . ?
O11 Gd05 O237 147.5(2) 1_565 . ?
O274 Gd05 O237 52.51(19) . . ?
O9 Gd05 C269 102.1(2) 2_666 . ?
O10 Gd05 C269 86.9(2) . . ?
O141 Gd05 C269 90.2(2) 1_565 . ?
O247 Gd05 C269 97.0(2) 2_766 . ?
O11 Gd05 C269 174.2(2) 1_565 . ?
O274 Gd05 C269 26.3(2) . . ?
O237 Gd05 C269 26.7(2) . . ?
O9 Gd05 Gd03 121.83(16) 2_666 . ?
O10 Gd05 Gd03 133.46(17) . . ?
O141 Gd05 Gd03 42.78(15) 1_565 . ?
O247 Gd05 Gd03 72.49(18) 2_766 . ?
O11 Gd05 Gd03 114.22(17) 1_565 . ?
O274 Gd05 Gd03 82.10(17) . . ?
O237 Gd05 Gd03 37.11(13) . . ?
C269 Gd05 Gd03 60.58(18) . . ?
C286 O15 Gd02 137.9(6) . . ?
C238 O14 Gd02 138.1(6) . . ?
C143 O13 Gd04 151.7(6) . . ?
C143 O13 Gd02 84.8(5) . 2_656 ?
Gd04 O13 Gd02 101.60(19) . 2_656 ?
C258 O12 Gd03 91.7(5) . . ?
C205 C19 C32 120.8(8) . . ?
C205 C19 C206 117.8(8) . . ?
C32 C19 C206 121.4(7) . . ?
C282 C20 C206 121.5(9) . . ?
C282 C20 H20 119.2 . . ?
C206 C20 H20 119.2 . . ?
C2 C21 C32 122.7(8) . . ?
C2 C21 H21 118.6 . . ?
C32 C21 H21 118.6 . . ?
C24 C23 C28 122.3(7) . . ?
C24 C23 H23 118.9 . . ?
C28 C23 H23 118.9 . . ?
C23 C24 C25 121.7(7) . . ?
C23 C24 H24 119.1 . . ?
C25 C24 H24 119.1 . . ?
C29 C25 C26 118.9(7) . . ?
C29 C25 C24 123.5(7) . . ?
C26 C25 C24 117.6(7) . . ?
C25 C26 C30 120.6(7) . . ?
C25 C26 C53 119.8(6) . . ?
C30 C26 C53 119.6(6) . . ?
C28 C53 C73 121.4(7) . . ?
C28 C53 C26 119.5(6) . . ?
C73 C53 C26 119.0(6) . . ?
C76 C28 C23 122.6(7) . . ?
C76 C28 C53 118.9(7) . . ?
C23 C28 C53 118.4(7) . . ?
C79 C29 C25 119.6(7) . . ?
C79 C29 C82 118.2(7) . . ?
C25 C29 C82 122.1(7) . . ?
C77 C30 C31 122.5(7) . . ?
C77 C30 C26 118.9(7) . . ?
C31 C30 C26 118.6(7) . . ?
C72 C31 C30 122.1(7) . . ?
C72 C31 H31 119.0 . . ?
C30 C31 H31 119.0 . . ?
C19 C32 C21 125.0(7) . . ?
C19 C32 C33 117.6(7) . . ?
C21 C32 C33 117.4(7) . . ?
C155 C33 C68 120.2(7) . . ?
C155 C33 C32 120.2(7) . . ?
C68 C33 C32 119.6(7) . . ?
C127 C34 C35 122.1(7) . . ?
C127 C34 H34 118.9 . . ?
C35 C34 H34 118.9 . . ?
C124 C35 C36 119.3(7) . . ?
C124 C35 C34 122.8(7) . . ?
C36 C35 C34 117.9(7) . . ?
C39 C36 C35 120.6(7) . . ?
C39 C36 C37 119.6(7) . . ?
C35 C36 C37 119.8(7) . . ?
C40 C37 C38 120.2(7) . . ?
C40 C37 C36 119.6(7) . . ?
C38 C37 C36 120.2(7) . . ?
C64 C38 C37 119.2(7) . . ?
C64 C38 C127 123.1(7) . . ?
C37 C38 C127 117.6(7) . . ?
C36 C39 C97 119.4(7) . . ?
C36 C39 C67 119.3(7) . . ?
C97 C39 C67 121.3(7) . . ?
C37 C40 C66 119.6(7) . . ?
C37 C40 C41 119.4(7) . . ?
C66 C40 C41 121.0(7) . . ?
C67 C41 C40 120.0(7) . . ?
C67 C41 H41 120.0 . . ?
C40 C41 H41 120.0 . . ?
C88 C42 C43 120.3(7) . . ?
C88 C42 C45 120.2(6) . . ?
C43 C42 C45 119.4(6) . . ?
C101 C43 C44 123.3(7) . . ?
C101 C43 C42 118.9(7) . . ?
C44 C43 C42 117.7(7) . . ?
C100 C44 C43 123.0(7) . . ?
C100 C44 H44 118.5 . . ?
C43 C44 H44 118.5 . . ?
C46 C45 C42 120.1(6) . . ?
C46 C45 C47 120.4(6) . . ?
C42 C45 C47 119.4(6) . . ?
C45 C46 C83 119.2(6) . . ?
C45 C46 C100 118.2(7) . . ?
C83 C46 C100 122.6(7) . . ?
C85 C47 C86 123.1(7) . . ?
C85 C47 C45 119.1(6) . . ?
C86 C47 C45 117.7(7) . . ?
C121 C50 C49 119.9(8) . . ?
C121 C50 H50 120.1 . . ?
C49 C50 H50 120.1 . . ?
C56 C59 C122 120.7(8) . . ?
C56 C59 H59 119.6 . . ?
C122 C59 H59 119.6 . . ?
C65 C64 C38 118.8(7) . . ?
C65 C64 C223 118.2(7) . . ?
C38 C64 C223 123.0(7) . . ?
C66 C65 C64 123.1(7) . . ?
C66 C65 H65 118.4 . . ?
C64 C65 H65 118.4 . . ?
C65 C66 C40 119.1(7) . . ?
C65 C66 C98 119.8(7) . . ?
C40 C66 C98 121.0(7) . . ?
C41 C67 C39 122.1(7) . . ?
C41 C67 H67 119.0 . . ?
C39 C67 H67 119.0 . . ?
C99 C68 C33 120.0(7) . . ?
C99 C68 C69 120.5(7) . . ?
C33 C68 C69 119.4(7) . . ?
C215 C69 C68 119.3(7) . . ?
C215 C69 C70 122.2(7) . . ?
C68 C69 C70 118.4(7) . . ?
C71 C70 C69 120.6(7) . . ?
C71 C70 H70 119.7 . . ?
C69 C70 H70 119.7 . . ?
C70 C71 C155 121.9(7) . . ?
C70 C71 H71 119.1 . . ?
C155 C71 H71 119.1 . . ?
C31 C72 C73 121.5(7) . . ?
C31 C72 H72 119.3 . . ?
C73 C72 H72 119.3 . . ?
C74 C73 C72 123.0(7) . . ?
C74 C73 C53 117.7(7) . . ?
C72 C73 C53 119.2(7) . . ?
C75 C74 C73 120.3(7) . . ?
C75 C74 C241 118.3(7) . . ?
C73 C74 C241 121.4(7) . . ?
C74 C75 C76 122.6(7) . . ?
C74 C75 H75 118.7 . . ?
C76 C75 H75 118.7 . . ?
C75 C76 C28 119.0(7) . . ?
C75 C76 C153 117.7(7) . . ?
C28 C76 C153 123.1(7) . . ?
C79 C77 C30 118.3(7) . . ?
C79 C77 C81 117.5(7) . . ?
C30 C77 C81 124.2(7) . . ?
C29 C79 C77 123.5(7) . . ?
C29 C79 H79 118.3 . . ?
C77 C79 H79 118.3 . . ?
C201 O80 Gd04 145.4(6) . . ?
C148 C81 C151 116.9(7) . . ?
C148 C81 C77 120.5(8) . . ?
C151 C81 C77 122.2(7) . . ?
C152 C82 C121 117.9(7) . . ?
C152 C82 C29 122.6(7) . . ?
C121 C82 C29 119.5(7) . . ?
C103 C83 C46 119.0(7) . . ?
C103 C83 C117 120.4(7) . . ?
C46 C83 C117 120.7(7) . . ?
C103 C85 C47 117.9(7) . . ?
C103 C85 C90 118.8(7) . . ?
C47 C85 C90 123.3(7) . . ?
C87 C86 C47 122.3(7) . . ?
C87 C86 H86 118.8 . . ?
C47 C86 H86 118.8 . . ?
C86 C87 C88 122.3(7) . . ?
C86 C87 H87 118.9 . . ?
C88 C87 H87 118.9 . . ?
C42 C88 C89 119.3(7) . . ?
C42 C88 C87 117.8(7) . . ?
C89 C88 C87 122.9(7) . . ?
C102 C89 C88 118.7(7) . . ?
C102 C89 C159 119.2(7) . . ?
C88 C89 C159 122.1(7) . . ?
C91 C90 C94 117.3(7) . . ?
C91 C90 C85 121.8(7) . . ?
C94 C90 C85 120.8(7) . . ?
C90 C91 C92 121.1(7) . . ?
C90 C91 H91 119.5 . . ?
C92 C91 H91 119.5 . . ?
C91 C92 C55 120.6(8) . . ?
C91 C92 H92 119.7 . . ?
C55 C92 H92 119.7 . . ?
C167 C55 C92 118.4(7) . . ?
C167 C55 C238 122.2(7) . . ?
C92 C55 C238 119.4(8) . . ?
C167 C94 C90 122.5(8) . . ?
C167 C94 H94 118.7 . . ?
C90 C94 H94 118.7 . . ?
C193 C97 C39 118.8(7) . . ?
C193 C97 C125 117.9(7) . . ?
C39 C97 C125 123.2(7) . . ?
C131 C98 C128 118.3(7) . . ?
C131 C98 C66 121.8(8) . . ?
C128 C98 C66 119.8(8) . . ?
C157 C99 C2 122.8(7) . . ?
C157 C99 C68 118.2(7) . . ?
C2 C99 C68 119.0(7) . . ?
C44 C100 C46 121.0(7) . . ?
C44 C100 H100 119.5 . . ?
C46 C100 H100 119.5 . . ?
C102 C101 C43 119.2(7) . . ?
C102 C101 C123 118.6(7) . . ?
C43 C101 C123 122.1(7) . . ?
C89 C102 C101 123.4(7) . . ?
C89 C102 H102 118.3 . . ?
C101 C102 H102 118.3 . . ?
C83 C103 C85 124.1(7) . . ?
C83 C103 H103 117.9 . . ?
C85 C103 H103 117.9 . . ?
C174 C104 C105 120.5(7) . . ?
C174 C104 C109 120.1(7) . . ?
C105 C104 C109 119.3(7) . . ?
C111 C105 C104 119.5(7) . . ?
C111 C105 C106 121.4(7) . . ?
C104 C105 C106 119.0(7) . . ?
C107 C106 C105 121.0(7) . . ?
C107 C106 H106 119.5 . . ?
C105 C106 H106 119.5 . . ?
C106 C107 C108 121.2(7) . . ?
C106 C107 H107 119.4 . . ?
C108 C107 H107 119.4 . . ?
C180 C108 C109 118.7(7) . . ?
C180 C108 C107 123.1(7) . . ?
C109 C108 C107 118.2(7) . . ?
C108 C109 C110 120.5(7) . . ?
C108 C109 C104 120.6(7) . . ?
C110 C109 C104 118.9(7) . . ?
C302 C110 C109 118.9(7) . . ?
C302 C110 C177 121.8(7) . . ?
C109 C110 C177 119.3(7) . . ?
C112 C111 C105 118.7(7) . . ?
C112 C111 C113 119.9(7) . . ?
C105 C111 C113 121.3(7) . . ?
C111 C112 C175 122.7(8) . . ?
C111 C112 H112 118.6 . . ?
C175 C112 H112 118.6 . . ?
C172 C113 C168 118.1(8) . . ?
C172 C113 C111 123.3(8) . . ?
C168 C113 C111 118.6(7) . . ?
C188 C117 C118 117.2(7) . . ?
C188 C117 C83 121.6(7) . . ?
C118 C117 C83 121.1(7) . . ?
C119 C118 C117 121.7(8) . . ?
C119 C118 H118 119.2 . . ?
C117 C118 H118 119.2 . . ?
C118 C119 C120 120.0(8) . . ?
C118 C119 H119 120.0 . . ?
C120 C119 H119 120.0 . . ?
C119 C120 C187 119.6(7) . . ?
C119 C120 C269 119.9(7) . . ?
C187 C120 C269 120.1(8) . . ?
C82 C121 C50 121.2(8) . . ?
C82 C121 H121 119.4 . . ?
C50 C121 H121 119.4 . . ?
C123 C122 C59 120.8(8) . . ?
C123 C122 H122 119.6 . . ?
C59 C122 H122 119.6 . . ?
C35 C124 C193 118.8(7) . . ?
C35 C124 C126 123.6(7) . . ?
C193 C124 C126 117.6(7) . . ?
C280 C125 C190 118.2(8) . . ?
C280 C125 C97 120.6(9) . . ?
C190 C125 C97 121.3(8) . . ?
C194 C126 C198 117.7(8) . . ?
C194 C126 C124 121.9(8) . . ?
C198 C126 C124 120.4(8) . . ?
C34 C127 C38 122.0(7) . . ?
C34 C127 H127 119.0 . . ?
C38 C127 H127 119.0 . . ?
C129 C128 C98 120.2(8) . . ?
C129 C128 H128 119.9 . . ?
C98 C128 H128 119.9 . . ?
C130 C129 C128 120.9(8) . . ?
C130 C129 H129 119.6 . . ?
C128 C129 H129 119.6 . . ?
C222 C130 C129 119.7(7) . . ?
C222 C130 C161 121.6(7) . . ?
C129 C130 C161 118.7(7) . . ?
C98 C131 C222 121.2(8) . . ?
C98 C131 H131 119.4 . . ?
C222 C131 H131 119.4 . . ?
C136 C135 C137 120.3(8) . . ?
C136 C135 H135 119.8 . . ?
C137 C135 H135 119.8 . . ?
C166 C136 C135 121.2(9) . . ?
C166 C136 H136 119.4 . . ?
C135 C136 H136 119.4 . . ?
O246 C143 O13 122.7(7) . . ?
O246 C143 C144 118.3(8) . . ?
O13 C143 C144 118.9(8) . . ?
O246 C143 Gd02 53.4(4) . 2_656 ?
O13 C143 Gd02 69.7(4) . 2_656 ?
C144 C143 Gd02 170.5(6) . 2_656 ?
C208 C144 C282 119.0(8) . . ?
C208 C144 C143 122.1(8) . . ?
C282 C144 C143 118.8(8) . . ?
C199 O147 Gd04 93.5(5) . . ?
C81 C148 C149 122.6(8) . . ?
C81 C148 H148 118.7 . . ?
C149 C148 H148 118.7 . . ?
C115 C149 C148 119.9(8) . . ?
C115 C149 H149 120.1 . . ?
C148 C149 H149 120.1 . . ?
C151 C150 C115 120.9(8) . . ?
C151 C150 H150 119.5 . . ?
C115 C150 H150 119.5 . . ?
C150 C151 C81 121.5(8) . . ?
C150 C151 H151 119.2 . . ?
C81 C151 H151 119.2 . . ?
C308 C152 C82 121.6(8) . . ?
C308 C152 H152 119.2 . . ?
C82 C152 H152 119.2 . . ?
C227 C153 C154 118.4(7) . . ?
C227 C153 C76 122.1(8) . . ?
C154 C153 C76 119.4(7) . . ?
C229 C154 C153 120.5(8) . . ?
C229 C154 H154 119.7 . . ?
C153 C154 H154 119.7 . . ?
C156 C155 C71 122.2(7) . . ?
C156 C155 C33 119.1(7) . . ?
C71 C155 C33 118.6(7) . . ?
C205 C156 C155 119.7(7) . . ?
C205 C156 C209 119.6(7) . . ?
C155 C156 C209 120.4(7) . . ?
C216 C157 C99 120.4(8) . . ?
C216 C157 C158 116.7(7) . . ?
C99 C157 C158 122.9(7) . . ?
C7A C158 C5A 115.8(13) . . ?
C5 C158 C7 120.4(12) . . ?
C5 C158 C157 120.6(11) . . ?
C7A C158 C157 120.7(11) . . ?
C5A C158 C157 122.9(11) . . ?
C7 C158 C157 118.6(9) . . ?
C6 C5 C158 123.0(19) . . ?
C6 C5 H5 118.5 . . ?
C158 C5 H5 118.5 . . ?
C5 C6 C291 120.4(18) . . ?
C5 C6 H6 119.8 . . ?
C291 C6 H6 119.8 . . ?
C291 C8 C7 115.7(14) . . ?
C291 C8 H8A 108.3 . . ?
C7 C8 H8A 108.3 . . ?
C291 C8 H8B 108.3 . . ?
C7 C8 H8B 108.3 . . ?
H8A C8 H8B 107.4 . . ?
C158 C7 C8 117.2(14) . . ?
C158 C7 H7A 108.0 . . ?
C8 C7 H7A 108.0 . . ?
C158 C7 H7B 108.0 . . ?
C8 C7 H7B 108.0 . . ?
H7A C7 H7B 107.2 . . ?
C8A C291 C6A 118.2(12) . . ?
C6 C291 C8 122.9(12) . . ?
C8A C291 C307 121.2(11) . . ?
C6A C291 C307 120.1(10) . . ?
C6 C291 C307 119.7(10) . . ?
C8 C291 C307 117.3(9) . . ?
C6A C5A C158 122.3(17) . . ?
C6A C5A H5A 118.9 . . ?
C158 C5A H5A 118.9 . . ?
C291 C6A C5A 119.6(17) . . ?
C291 C6A H6A 120.2 . . ?
C5A C6A H6A 120.2 . . ?
C158 C7A C8A 119.7(17) . . ?
C158 C7A H7AA 120.1 . . ?
C8A C7A H7AA 120.1 . . ?
C291 C8A C7A 122.6(17) . . ?
C291 C8A H8AA 118.7 . . ?
C7A C8A H8AA 118.7 . . ?
C277 C159 C178 118.3(7) . . ?
C277 C159 C89 120.0(8) . . ?
C178 C159 C89 121.6(7) . . ?
O164 C161 O165 120.0(7) . . ?
O164 C161 C130 119.3(7) . . ?
O165 C161 C130 120.6(7) . . ?
O164 C161 Gd04 57.0(4) . 1_565 ?
O165 C161 Gd04 63.0(4) . 1_565 ?
C130 C161 Gd04 175.6(6) . 1_565 ?
C161 O164 Gd04 97.3(5) . 1_565 ?
C161 O165 Gd02 150.1(5) . 2_666 ?
C161 O165 Gd04 90.7(4) . 1_565 ?
Gd02 O165 Gd04 106.94(18) 2_666 1_565 ?
C94 C167 C55 120.1(8) . . ?
C94 C167 H167 120.0 . . ?
C55 C167 H167 120.0 . . ?
C169 C168 C113 121.4(9) . . ?
C169 C168 H168 119.3 . . ?
C113 C168 H168 119.3 . . ?
C168 C169 C170 119.4(9) . . ?
C168 C169 H169 120.3 . . ?
C170 C169 H169 120.3 . . ?
C3 C170 C169 119.8(8) . . ?
C3 C170 C286 121.7(8) . . ?
C169 C170 C286 118.5(9) . . ?
C113 C172 C3 120.7(8) . . ?
C113 C172 H172 119.7 . . ?
C3 C172 H172 119.7 . . ?
C175 C174 C104 118.8(7) . . ?
C175 C174 C176 122.2(7) . . ?
C104 C174 C176 119.0(7) . . ?
C112 C175 C174 119.6(7) . . ?
C112 C175 C166 119.5(8) . . ?
C174 C175 C166 120.9(7) . . ?
C177 C176 C174 120.5(8) . . ?
C177 C176 H176 119.7 . . ?
C174 C176 H176 119.7 . . ?
C176 C177 C110 121.9(8) . . ?
C176 C177 H177 119.0 . . ?
C110 C177 H177 119.0 . . ?
C159 C178 C275 120.8(8) . . ?
C159 C178 H178 119.6 . . ?
C275 C178 H178 119.6 . . ?
C180 C179 C302 121.8(8) . . ?
C180 C179 H179 119.1 . . ?
C302 C179 H179 119.1 . . ?
C179 C180 C108 120.2(8) . . ?
C179 C180 C181 116.4(7) . . ?
C108 C180 C181 123.3(7) . . ?
C182 C181 C186 117.7(8) . . ?
C182 C181 C180 120.9(8) . . ?
C186 C181 C180 121.4(8) . . ?
C181 C182 C183 122.2(9) . . ?
C181 C182 H182 118.9 . . ?
C183 C182 H182 118.9 . . ?
C182 C183 C1 119.1(8) . . ?
C182 C183 H183 120.5 . . ?
C1 C183 H183 120.5 . . ?
C186 C185 C1 121.3(9) . . ?
C186 C185 H185 119.3 . . ?
C1 C185 H185 119.3 . . ?
C185 C186 C181 120.4(9) . . ?
C185 C186 H186 119.8 . . ?
C181 C186 H186 119.8 . . ?
C120 C187 C188 119.8(8) . . ?
C120 C187 H187 120.1 . . ?
C188 C187 H187 120.1 . . ?
C187 C188 C117 121.5(8) . . ?
C187 C188 H188 119.3 . . ?
C117 C188 H188 119.3 . . ?
C191 C190 C125 121.1(9) . . ?
C191 C190 H190 119.5 . . ?
C125 C190 H190 119.5 . . ?
C192 C191 C190 120.1(10) . . ?
C192 C191 H191 120.0 . . ?
C190 C191 H191 120.0 . . ?
C279 C192 C191 118.6(8) . . ?
C279 C192 C244 119.8(9) . . ?
C191 C192 C244 121.6(9) . . ?
C97 C193 C124 122.9(8) . . ?
C97 C193 H193 118.5 . . ?
C124 C193 H193 118.5 . . ?
C126 C194 C195 120.8(9) . . ?
C126 C194 H194 119.6 . . ?
C195 C194 H194 119.6 . . ?
C196 C195 C194 120.8(9) . . ?
C196 C195 H195 119.6 . . ?
C194 C195 H195 119.6 . . ?
C195 C196 C197 118.6(8) . . ?
C195 C196 C199 119.8(8) . . ?
C197 C196 C199 121.4(9) . . ?
C198 C197 C196 120.8(9) . . ?
C198 C197 H197 119.6 . . ?
C196 C197 H197 119.6 . . ?
C197 C198 C126 121.2(9) . . ?
C197 C198 H198 119.4 . . ?
C126 C198 H198 119.4 . . ?
O147 C199 O1 122.3(8) . . ?
O147 C199 C196 118.3(8) . . ?
O1 C199 C196 119.3(8) . . ?
O147 C199 Gd04 60.1(4) . . ?
O1 C199 Gd04 62.2(5) . . ?
C196 C199 Gd04 178.3(8) . . ?
O80 C201 O300 124.8(8) . . ?
O80 C201 C202 118.4(7) . . ?
O300 C201 C202 116.8(8) . . ?
C255 C202 C203 119.0(8) . . ?
C255 C202 C201 120.6(8) . . ?
C203 C202 C201 120.4(8) . . ?
C257 C203 C202 119.9(9) . . ?
C257 C203 H203 120.0 . . ?
C202 C203 H203 120.0 . . ?
C19 C205 C156 122.4(8) . . ?
C19 C205 H205 118.8 . . ?
C156 C205 H205 118.8 . . ?
C207 C206 C20 117.9(8) . . ?
C207 C206 C19 119.5(8) . . ?
C20 C206 C19 122.5(8) . . ?
C208 C207 C206 121.2(9) . . ?
C208 C207 H207 119.4 . . ?
C206 C207 H207 119.4 . . ?
C207 C208 C144 120.5(9) . . ?
C207 C208 H208 119.8 . . ?
C144 C208 H208 119.8 . . ?
C210 C209 C214 118.6(8) . . ?
C210 C209 C156 119.0(8) . . ?
C214 C209 C156 122.3(8) . . ?
C209 C210 C211 120.9(9) . . ?
C209 C210 H210 119.5 . . ?
C211 C210 H210 119.5 . . ?
C212 C211 C210 118.5(9) . . ?
C212 C211 H211 120.8 . . ?
C210 C211 H211 120.8 . . ?
C213 C212 C211 121.6(8) . . ?
C213 C212 C249 120.0(8) . . ?
C211 C212 C249 118.3(9) . . ?
C212 C213 C214 120.1(9) . . ?
C212 C213 H213 119.9 . . ?
C214 C213 H213 119.9 . . ?
C213 C214 C209 120.2(9) . . ?
C213 C214 H214 119.9 . . ?
C209 C214 H214 119.9 . . ?
C216 C215 C69 118.7(7) . . ?
C216 C215 C217 120.1(7) . . ?
C69 C215 C217 121.2(7) . . ?
C215 C216 C157 122.8(8) . . ?
C215 C216 H216 118.6 . . ?
C157 C216 H216 118.6 . . ?
C218 C217 C221 120.0 . . ?
C218 C217 C215 120.1(5) . . ?
C221 C217 C215 119.9(5) . . ?
C219 C218 C217 120.0 . . ?
C219 C218 H218 120.0 . . ?
C217 C218 H218 120.0 . . ?
C252 C219 C218 120.0 . . ?
C252 C219 H219 120.0 . . ?
C218 C219 H219 120.0 . . ?
C219 C252 C12 120.0 . . ?
C219 C252 C253 119.3(5) . . ?
C12 C252 C253 120.6(5) . . ?
C252 C12 C221 120.0 . . ?
C252 C12 H12 120.0 . . ?
C221 C12 H12 120.0 . . ?
C12 C221 C217 120.0 . . ?
C12 C221 H221 120.0 . . ?
C217 C221 H221 120.0 . . ?
C130 C222 C131 119.6(8) . . ?
C130 C222 H222 120.2 . . ?
C131 C222 H222 120.2 . . ?
C225 C223 C224 116.8(7) . . ?
C225 C223 C64 121.1(7) . . ?
C224 C223 C64 121.9(7) . . ?
C226 C224 C223 121.9(8) . . ?
C226 C224 H224 119.0 . . ?
C223 C224 H224 119.0 . . ?
C223 C225 C235 122.0(8) . . ?
C223 C225 H225 119.0 . . ?
C235 C225 H225 119.0 . . ?
C224 C226 C233 120.9(8) . . ?
C224 C226 H226 119.6 . . ?
C233 C226 H226 119.6 . . ?
C153 C227 C228 120.3(8) . . ?
C153 C227 H227 119.9 . . ?
C228 C227 H227 119.8 . . ?
C296 C228 C227 120.6(8) . . ?
C296 C228 H228 119.7 . . ?
C227 C228 H228 119.7 . . ?
C154 C229 C296 121.2(8) . . ?
C154 C229 H229 119.4 . . ?
C296 C229 H229 119.4 . . ?
C269 O237 Gd03 142.2(5) . . ?
C269 O237 Gd05 89.6(5) . . ?
Gd03 O237 Gd05 105.06(18) . . ?
O239 C238 O14 123.4(8) . . ?
O239 C238 C55 118.3(8) . . ?
O14 C238 C55 118.2(8) . . ?
C243 C241 C242 118.8(8) . . ?
C243 C241 C74 122.0(8) . . ?
C242 C241 C74 119.1(8) . . ?
C241 C242 C250 121.0(9) . . ?
C241 C242 H242 119.5 . . ?
C250 C242 H242 119.5 . . ?
C241 C243 C251 120.9(9) . . ?
C241 C243 H243 119.6 . . ?
C251 C243 H243 119.6 . . ?
O284 C244 O283 122.3(8) . . ?
O284 C244 C192 119.7(9) . . ?
O283 C244 C192 118.0(9) . . ?
O284 C244 Gd03 65.5(5) . 2_666 ?
O283 C244 Gd03 57.9(4) . 2_666 ?
C192 C244 Gd03 167.5(7) . 2_666 ?
C143 O246 Gd02 102.3(5) . 2_656 ?
C249 O247 Gd05 122.0(6) . 2_766 ?
C249 O248 Gd03 147.1(7) . 2_766 ?
O247 C249 O248 125.9(8) . . ?
O247 C249 C212 116.7(8) . . ?
O248 C249 C212 117.3(9) . . ?
C242 C250 C268 120.3(9) . . ?
C242 C250 H250 119.8 . . ?
C268 C250 H250 119.8 . . ?
C268 C251 C243 120.4(9) . . ?
C268 C251 H251 119.8 . . ?
C243 C251 H251 119.8 . . ?
O295 C253 O254 120.1(7) . . ?
O295 C253 C252 121.4(7) . . ?
O254 C253 C252 118.5(7) . . ?
O295 C253 Gd02 62.8(4) . 2_666 ?
O254 C253 Gd02 57.4(4) . 2_666 ?
C252 C253 Gd02 175.8(5) . 2_666 ?
C253 O254 Gd02 96.0(5) . 2_666 ?
C202 C255 C256 120.7(10) . . ?
C202 C255 H255 119.6 . . ?
C256 C255 H255 119.6 . . ?
C255 C256 C289 121.3(10) . . ?
C255 C256 H256 119.4 . . ?
C289 C256 H256 119.4 . . ?
C289 C257 C203 121.0(9) . . ?
C289 C257 H257 119.5 . . ?
C203 C257 H257 119.5 . . ?
O12 C258 O259 121.9(7) . . ?
O12 C258 C1 119.8(7) . . ?
O259 C258 C1 118.1(8) . . ?
O12 C258 Gd03 62.1(4) . . ?
O259 C258 Gd03 60.2(4) . . ?
C1 C258 Gd03 169.4(6) . . ?
C258 O259 Gd03 93.3(5) . . ?
O274 C269 O237 120.3(6) . . ?
O274 C269 C120 119.3(7) . . ?
O237 C269 C120 120.4(7) . . ?
O274 C269 Gd05 58.3(4) . . ?
O237 C269 Gd05 63.7(4) . . ?
C120 C269 Gd05 166.0(6) . . ?
C269 O274 Gd05 95.5(5) . . ?
C133 C276 C277 121.6(9) . . ?
C133 C276 H276 119.2 . . ?
C277 C276 H276 119.2 . . ?
C192 C279 C280 121.6(10) . . ?
C192 C279 H279 119.2 . . ?
C280 C279 H279 119.2 . . ?
C125 C280 C279 120.3(10) . . ?
C125 C280 H280 119.9 . . ?
C279 C280 H280 119.9 . . ?
C20 C282 C144 119.8(9) . . ?
C20 C282 H282 120.1 . . ?
C144 C282 H282 120.1 . . ?
C244 O283 Gd03 95.8(5) . 2_666 ?
C244 O284 Gd03 88.2(5) . 2_666 ?
O15 C286 O287 123.5(8) . . ?
O15 C286 C170 119.7(9) . . ?
O287 C286 C170 116.8(8) . . ?
C286 O287 Gd04 116.2(5) . 2_656 ?
C257 C289 C256 117.8(9) . . ?
C257 C289 C302 122.4(9) . . ?
C256 C289 C302 119.6(9) . . ?
C253 O295 Gd02 90.7(4) . 2_666 ?
C228 C296 C229 118.8(8) . . ?
C228 C296 C297 122.1(8) . . ?
C229 C296 C297 118.9(8) . . ?
O303 C297 O305 121.1(7) . . ?
O303 C297 C296 121.6(8) . . ?
O305 C297 C296 117.2(7) . . ?
O303 C297 Gd01 64.9(4) . . ?
O305 C297 Gd01 56.8(4) . . ?
C296 C297 Gd01 168.8(6) . . ?
C201 O300 Gd04 146.6(6) . 2_756 ?
C179 C302 C110 119.8(8) . . ?
C179 C302 C289 116.5(8) . . ?
C110 C302 C289 123.5(8) . . ?
C297 O303 Gd01 89.9(5) . . ?
C297 O305 Gd01 97.8(5) . . ?
C152 C308 C49 121.0(8) . . ?
C152 C308 H308 119.5 . . ?
C49 C308 H308 119.5 . . ?
C15 N20 C14 112(2) . . ?
C15 N20 H20A 109.2 . . ?
C14 N20 H20A 109.2 . . ?
C15 N20 H20B 109.2 . . ?
C14 N20 H20B 109.2 . . ?
H20A N20 H20B 107.9 . . ?
N20 C15 H15A 92.2 . . ?
N20 C15 H15B 115.5 . . ?
H15A C15 H15B 109.5 . . ?
N20 C15 H15C 119.1 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N20 C14 H14A 107.6 . . ?
N20 C14 H14B 95.2 . . ?
H14A C14 H14B 109.5 . . ?
N20 C14 H14C 124.3 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.6 . . ?
N46 C17 H17A 108.5 . . ?
N46 C17 H17B 114.2 . . ?
H17A C17 H17B 109.5 . . ?
N46 C17 H17C 105.5 . . ?
H17A C17 H17C 109.6 . . ?
H17B C17 H17C 109.4 . . ?
N46 C16 H16A 104.1 . . ?
N46 C16 H16B 105.6 . . ?
H16A C16 H16B 109.5 . . ?
N46 C16 H16C 118.3 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C17 N46 C16 118(2) . . ?
C17 N46 H46A 107.9 . . ?
C16 N46 H46A 107.9 . . ?
C17 N46 H46B 107.9 . . ?
C16 N46 H46B 107.9 . . ?
H46A N46 H46B 107.2 . . ?
C22 N C18 117(2) . . ?
C22 N HA 108.0 . . ?
C18 N HA 108.0 . . ?
C22 N HB 108.0 . . ?
C18 N HB 108.0 . . ?
HA N HB 107.3 . . ?
N C18 H18A 104.7 . . ?
N C18 H18B 119.6 . . ?
H18A C18 H18B 109.4 . . ?
N C18 H18C 103.7 . . ?
H18A C18 H18C 109.4 . . ?
H18B C18 H18C 109.5 . . ?
N C22 H22A 116.5 . . ?
N C22 H22B 107.8 . . ?
H22A C22 H22B 109.5 . . ?
N C22 H22C 103.9 . . ?
H22A C22 H22C 109.4 . . ?
H22B C22 H22C 109.5 . . ?
C52 N35 C4 116(2) . . ?
C52 N35 H35A 108.3 . . ?
C4 N35 H35A 108.3 . . ?
C52 N35 H35B 108.3 . . ?
C4 N35 H35B 108.3 . . ?
H35A N35 H35B 107.4 . . ?
N35 C52 H52A 124.1 . . ?
N35 C52 H52B 98.2 . . ?
H52A C52 H52B 109.5 . . ?
N35 C52 H52C 105.0 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
N35 C4 H4A 128.4 . . ?
N35 C4 H4B 96.2 . . ?
H4A C4 H4B 109.4 . . ?
N35 C4 H4C 102.4 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.4 . . ?
N29 C6W H6WA 104.7 . . ?
N29 C6W H6WB 115.5 . . ?
H6WA C6W H6WB 109.4 . . ?
N29 C6W H6WC 108.2 . . ?
H6WA C6W H6WC 109.4 . . ?
H6WB C6W H6WC 109.5 . . ?
N29 C9 H9A 113.9 . . ?
N29 C9 H9B 111.2 . . ?
H9A C9 H9B 109.5 . . ?
N29 C9 H9C 103.0 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6W N29 C9 116(2) . . ?
C6W N29 H29A 108.3 . . ?
C9 N29 H29A 108.3 . . ?
C6W N29 H29B 108.3 . . ?
C9 N29 H29B 108.3 . . ?
H29A N29 H29B 107.4 . . ?
N31 C60 H60A 113.3 . . ?
N31 C60 H60B 107.8 . . ?
H60A C60 H60B 109.5 . . ?
N31 C60 H60C 107.3 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C61 N31 C60 112(2) . . ?
C61 N31 H31A 109.2 . . ?
C60 N31 H31A 109.2 . . ?
C61 N31 H31B 109.2 . . ?
C60 N31 H31B 109.2 . . ?
H31A N31 H31B 107.9 . . ?
N31 C61 H61A 112.3 . . ?
N31 C61 H61B 110.9 . . ?
H61A C61 H61B 109.5 . . ?
N31 C61 H61C 105.2 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
N23 C63 H63A 139.1 . . ?
N23 C63 H63B 96.9 . . ?
H63A C63 H63B 109.4 . . ?
N23 C63 H63C 89.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.4 . . ?
C63 N23 C62 117(2) . . ?
C63 N23 H23A 108.1 . . ?
C62 N23 H23A 108.1 . . ?
C63 N23 H23B 108.1 . . ?
C62 N23 H23B 108.1 . . ?
H23A N23 H23B 107.3 . . ?
N23 C62 H62A 109.0 . . ?
N23 C62 H62B 128.0 . . ?
H62A C62 H62B 109.5 . . ?
N23 C62 H62C 88.9 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C80 N12 C51 122(2) . . ?
C80 N12 C58 115.3(18) . . ?
C51 N12 C58 115.7(19) . . ?
O78 C58 N12 126(3) . . ?
O78 C58 H58 116.8 . . ?
N12 C58 H58 116.8 . . ?
N12 C51 H51A 114.4 . . ?
N12 C51 H51B 96.6 . . ?
H51A C51 H51B 109.5 . . ?
N12 C51 H51C 116.6 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
N12 C80 H80A 105.0 . . ?
N12 C80 H80B 112.0 . . ?
H80A C80 H80B 109.5 . . ?
N12 C80 H80C 111.3 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
N34 C78 H78A 95.9 . . ?
N34 C78 H78B 81.6 . . ?
H78A C78 H78B 109.5 . . ?
N34 C78 H78C 145.9 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C84 N34 C78 119(2) . . ?
C84 N34 H34A 120.5 . . ?
C78 N34 H34A 120.5 . . ?
C84 N34 H84C 38.1 . . ?
C78 N34 H84C 82.7 . . ?
H34A N34 H84C 154.2 . . ?
N34 C84 H84A 107.0 . . ?
N34 C84 H84B 139.4 . . ?
H84A C84 H84B 109.5 . . ?
N34 C84 H84C 73.4 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
H4D O4 H4E 109.5 . . ?
H2A O2 H2B 104.5 . . ?
H3A O3 H3B 104.5 . . ?
N11 C10 H10A 111.5 . . ?
N11 C10 H10B 110.6 . . ?
H10A C10 H10B 109.5 . . ?
N11 C10 H10C 106.3 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C116 N11 C10 111.3(19) . . ?
C116 N11 H11A 109.4 . . ?
C10 N11 H11A 109.4 . . ?
C116 N11 H11B 109.4 . . ?
C10 N11 H11B 109.4 . . ?
H11A N11 H11B 108.0 . . ?
N11 C116 H11C 107.2 . . ?
N11 C116 H11D 114.0 . . ?
H11C C116 H11D 109.5 . . ?
N11 C116 H11E 107.1 . . ?
H11C C116 H11E 109.5 . . ?
H11D C116 H11E 109.5 . . ?
C13 N1 C11 119.9(17) . . ?
C13 N1 C27 120(2) . . ?
C11 N1 C27 120.3(16) . . ?
O20 C11 N1 130(3) . . ?
O20 C11 H11 115.2 . . ?
N1 C11 H11 115.2 . . ?
N1 C27 H27A 108.2 . . ?
N1 C27 H27B 110.7 . . ?
H27A C27 H27B 109.5 . . ?
N1 C27 H27C 109.4 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 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
O298 C231 1.235(11) . ?
O285 C231 1.261(10) . ?
O285 Gd03 2.285(6) 2_766 ?
C231 C233 1.506(12) . ?
C233 C235 1.377(12) . ?
C233 C226 1.399(12) . ?
C235 C225 1.396(12) . ?
C235 H235 0.9300 . ?
O17 C307 1.234(10) . ?
O17 Gd01 2.379(6) 1_454 ?
O9 C307 1.267(10) . ?
O9 Gd05 2.251(6) 2_666 ?
C307 C291 1.497(11) . ?
O60 C48 1.235(10) . ?
O60 Gd01 2.505(5) 2_757 ?
O61 C48 1.282(10) . ?
O61 Gd01 2.430(5) 2_757 ?
C48 C49 1.503(10) . ?
C48 Gd01 2.829(7) 2_757 ?
C49 C308 1.391(12) . ?
C49 C50 1.397(12) . ?
O16 C114 1.282(11) . ?
O16 Gd01 2.272(6) 1_455 ?
C114 O116 1.237(11) . ?
C114 C115 1.496(11) . ?
C115 C149 1.388(12) . ?
C115 C150 1.403(11) . ?
O10 C266 1.249(11) . ?
O10 Gd05 2.277(6) . ?
O267 C266 1.239(11) . ?
O267 Gd01 2.384(5) 2_767 ?
C266 C268 1.528(10) . ?
C268 C251 1.372(13) . ?
C268 C250 1.390(13) . ?
O141 C138 1.281(11) . ?
O141 Gd05 2.295(6) 1_545 ?
O141 Gd03 2.784(6) 1_545 ?
O142 C138 1.251(11) . ?
O142 Gd03 2.463(6) 1_545 ?
C138 C137 1.481(11) . ?
C138 Gd03 3.016(8) 1_545 ?
C137 C270 1.365(13) . ?
C137 C135 1.389(13) . ?
C270 C271 1.402(13) . ?
C270 H270 0.9300 . ?
C271 C166 1.390(14) . ?
C271 H271 0.9300 . ?
C166 C136 1.385(13) . ?
C166 C175 1.492(11) . ?
O57 C54 1.253(10) . ?
O57 Gd02 2.439(5) 1_655 ?
O58 C54 1.268(10) . ?
O58 Gd02 2.589(6) 1_655 ?
C54 C56 1.508(10) . ?
C54 Gd02 2.878(7) 1_655 ?
C56 C59 1.364(12) . ?
C56 C95 1.373(12) . ?
C95 C96 1.393(12) . ?
C95 H95 0.9300 . ?
C96 C123 1.380(12) . ?
C96 H96 0.9300 . ?
C123 C122 1.383(12) . ?
C123 C101 1.487(11) . ?
O278 C132 1.226(10) . ?
O278 Gd01 2.325(6) 2_757 ?
O11 C132 1.255(10) . ?
O11 Gd05 2.359(5) 1_545 ?
C132 C133 1.513(10) . ?
C133 C276 1.357(12) . ?
C133 C275 1.369(12) . ?
C277 C159 1.380(12) . ?
C277 C276 1.403(12) . ?
C277 H277 0.9300 . ?
C275 C178 1.393(12) . ?
C275 H275 0.9300 . ?
Gd01 O305 2.459(5) . ?
Gd01 O303 2.636(6) . ?
Gd01 C297 2.911(8) . ?
O1 C199 1.271(11) . ?
O1 Gd04 2.489(6) . ?
C1 C185 1.380(13) . ?
C1 C183 1.402(12) . ?
C1 C258 1.504(11) . ?
Gd02 O14 2.308(6) . ?
Gd02 O165 2.385(5) 2_666 ?
Gd02 O15 2.389(6) . ?
Gd02 O254 2.404(6) 2_666 ?
Gd02 O246 2.407(6) 2_656 ?
Gd02 O295 2.526(5) 2_666 ?
Gd02 O13 2.761(6) 2_656 ?
Gd02 C253 2.839(7) 2_666 ?
Gd02 C143 2.931(8) 2_656 ?
C2 C21 1.352(12) . ?
C2 C99 1.411(12) . ?
C2 H2 0.9300 . ?
Gd03 O248 2.341(6) 2_766 ?
Gd03 O283 2.394(6) 2_666 ?
Gd03 O259 2.440(6) . ?
Gd03 O12 2.483(5) . ?
Gd03 O237 2.494(6) . ?
Gd03 O284 2.559(6) 2_666 ?
Gd03 C258 2.809(8) . ?
Gd03 C244 2.811(9) 2_666 ?
C3 C170 1.368(13) . ?
C3 C172 1.399(12) . ?
C3 H3 0.9300 . ?
Gd04 O300 2.248(6) 2_756 ?
Gd04 O80 2.286(6) . ?
Gd04 O287 2.353(6) 2_656 ?
Gd04 O13 2.371(6) . ?
Gd04 O164 2.442(5) 1_545 ?
Gd04 O147 2.442(6) . ?
Gd04 O165 2.572(5) 1_545 ?
Gd04 C199 2.812(9) . ?
Gd04 C161 2.887(7) 1_545 ?
Gd05 O247 2.349(6) 2_766 ?
Gd05 O274 2.416(6) . ?
Gd05 O237 2.535(5) . ?
Gd05 C269 2.828(7) . ?
O15 C286 1.246(12) . ?
O14 C238 1.274(10) . ?
O13 C143 1.266(10) . ?
O12 C258 1.244(10) . ?
C19 C205 1.368(12) . ?
C19 C32 1.413(12) . ?
C19 C206 1.496(11) . ?
C20 C282 1.376(13) . ?
C20 C206 1.407(13) . ?
C20 H20 0.9300 . ?
C21 C32 1.426(12) . ?
C21 H21 0.9300 . ?
C23 C24 1.348(11) . ?
C23 C28 1.418(10) . ?
C23 H23 0.9300 . ?
C24 C25 1.433(10) . ?
C24 H24 0.9300 . ?
C25 C29 1.400(11) . ?
C25 C26 1.432(10) . ?
C26 C30 1.433(10) . ?
C26 C53 1.447(10) . ?
C53 C28 1.419(10) . ?
C53 C73 1.436(10) . ?
C28 C76 1.410(10) . ?
C29 C79 1.387(11) . ?
C29 C82 1.496(10) . ?
C30 C77 1.424(11) . ?
C30 C31 1.429(11) . ?
C31 C72 1.350(12) . ?
C31 H31 0.9300 . ?
C32 C33 1.437(10) . ?
C33 C155 1.428(10) . ?
C33 C68 1.429(11) . ?
C34 C127 1.347(12) . ?
C34 C35 1.440(11) . ?
C34 H34 0.9300 . ?
C35 C124 1.392(11) . ?
C35 C36 1.426(10) . ?
C36 C39 1.400(11) . ?
C36 C37 1.443(11) . ?
C37 C40 1.417(10) . ?
C37 C38 1.433(10) . ?
C38 C64 1.420(11) . ?
C38 C127 1.435(10) . ?
C39 C97 1.406(11) . ?
C39 C67 1.418(11) . ?
C40 C66 1.423(11) . ?
C40 C41 1.428(11) . ?
C41 C67 1.367(12) . ?
C41 H41 0.9300 . ?
C42 C88 1.420(10) . ?
C42 C43 1.432(10) . ?
C42 C45 1.442(10) . ?
C43 C101 1.414(11) . ?
C43 C44 1.423(11) . ?
C44 C100 1.332(11) . ?
C44 H44 0.9300 . ?
C45 C46 1.408(10) . ?
C45 C47 1.442(10) . ?
C46 C83 1.429(10) . ?
C46 C100 1.449(10) . ?
C47 C85 1.422(10) . ?
C47 C86 1.427(10) . ?
C50 C121 1.392(11) . ?
C50 H50 0.9300 . ?
C59 C122 1.384(11) . ?
C59 H59 0.9300 . ?
C64 C65 1.397(11) . ?
C64 C223 1.496(11) . ?
C65 C66 1.381(12) . ?
C65 H65 0.9300 . ?
C66 C98 1.483(10) . ?
C67 H67 0.9300 . ?
C68 C99 1.421(11) . ?
C68 C69 1.439(11) . ?
C69 C215 1.410(11) . ?
C69 C70 1.447(11) . ?
C70 C71 1.365(12) . ?
C70 H70 0.9300 . ?
C71 C155 1.425(11) . ?
C71 H71 0.9300 . ?
C72 C73 1.423(11) . ?
C72 H72 0.9300 . ?
C73 C74 1.415(11) . ?
C74 C75 1.379(11) . ?
C74 C241 1.511(10) . ?
C75 C76 1.407(11) . ?
C75 H75 0.9300 . ?
C76 C153 1.496(10) . ?
C77 C79 1.397(11) . ?
C77 C81 1.492(11) . ?
C79 H79 0.9300 . ?
O80 C201 1.251(10) . ?
C81 C148 1.377(12) . ?
C81 C151 1.400(12) . ?
C82 C152 1.383(11) . ?
C82 C121 1.390(12) . ?
C83 C103 1.368(11) . ?
C83 C117 1.495(10) . ?
C85 C103 1.400(10) . ?
C85 C90 1.482(10) . ?
C86 C87 1.337(11) . ?
C86 H86 0.9300 . ?
C87 C88 1.436(11) . ?
C87 H87 0.9300 . ?
C88 C89 1.429(11) . ?
C89 C102 1.377(11) . ?
C89 C159 1.485(10) . ?
C90 C91 1.385(11) . ?
C90 C94 1.397(12) . ?
C91 C92 1.399(11) . ?
C91 H91 0.9300 . ?
C92 C55 1.400(12) . ?
C92 H92 0.9300 . ?
C55 C167 1.391(12) . ?
C55 C238 1.493(11) . ?
C94 C167 1.378(11) . ?
C94 H94 0.9300 . ?
C97 C193 1.385(12) . ?
C97 C125 1.498(11) . ?
C98 C131 1.376(12) . ?
C98 C128 1.401(12) . ?
C99 C157 1.399(12) . ?
C100 H100 0.9300 . ?
C101 C102 1.393(11) . ?
C102 H102 0.9300 . ?
C103 H103 0.9300 . ?
C104 C174 1.418(11) . ?
C104 C105 1.420(11) . ?
C104 C109 1.434(11) . ?
C105 C111 1.413(11) . ?
C105 C106 1.437(11) . ?
C106 C107 1.365(12) . ?
C106 H106 0.9300 . ?
C107 C108 1.440(11) . ?
C107 H107 0.9300 . ?
C108 C180 1.409(11) . ?
C108 C109 1.422(10) . ?
C109 C110 1.424(11) . ?
C110 C302 1.404(12) . ?
C110 C177 1.424(11) . ?
C111 C112 1.386(11) . ?
C111 C113 1.489(11) . ?
C112 C175 1.388(12) . ?
C112 H112 0.9300 . ?
C113 C172 1.362(12) . ?
C113 C168 1.407(12) . ?
C117 C188 1.392(12) . ?
C117 C118 1.402(12) . ?
C118 C119 1.374(11) . ?
C118 H118 0.9300 . ?
C119 C120 1.387(12) . ?
C119 H119 0.9300 . ?
C120 C187 1.387(12) . ?
C120 C269 1.501(10) . ?
C121 H121 0.9300 . ?
C122 H122 0.9300 . ?
C124 C193 1.393(11) . ?
C124 C126 1.487(11) . ?
C125 C280 1.360(14) . ?
C125 C190 1.399(14) . ?
C126 C194 1.376(13) . ?
C126 C198 1.411(13) . ?
C127 H127 0.9300 . ?
C128 C129 1.380(11) . ?
C128 H128 0.9300 . ?
C129 C130 1.378(12) . ?
C129 H129 0.9300 . ?
C130 C222 1.374(12) . ?
C130 C161 1.491(10) . ?
C131 C222 1.401(11) . ?
C131 H131 0.9300 . ?
C135 C136 1.388(12) . ?
C135 H135 0.9300 . ?
C136 H136 0.9300 . ?
C143 O246 1.237(11) . ?
C143 C144 1.505(10) . ?
C144 C208 1.389(13) . ?
C144 C282 1.411(13) . ?
O147 C199 1.251(11) . ?
C148 C149 1.395(12) . ?
C148 H148 0.9300 . ?
C149 H149 0.9300 . ?
C150 C151 1.374(11) . ?
C150 H150 0.9300 . ?
C151 H151 0.9300 . ?
C152 C308 1.368(11) . ?
C152 H152 0.9300 . ?
C153 C227 1.375(12) . ?
C153 C154 1.397(12) . ?
C154 C229 1.375(12) . ?
C154 H154 0.9300 . ?
C155 C156 1.401(11) . ?
C156 C205 1.381(12) . ?
C156 C209 1.478(11) . ?
C157 C216 1.395(11) . ?
C157 C158 1.497(11) . ?
C158 C5 1.38(2) . ?
C158 C7A 1.38(2) . ?
C158 C5A 1.38(2) . ?
C158 C7 1.478(9) . ?
C5 C6 1.35(3) . ?
C5 H5 0.9300 . ?
C6 C291 1.37(2) . ?
C6 H6 0.9300 . ?
C8 C291 1.473(9) . ?
C8 C7 1.479(10) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C291 C8A 1.34(2) . ?
C291 C6A 1.37(2) . ?
C5A C6A 1.38(2) . ?
C5A H5A 0.9300 . ?
C6A H6A 0.9300 . ?
C7A C8A 1.39(3) . ?
C7A H7AA 0.9300 . ?
C8A H8AA 0.9300 . ?
C159 C178 1.387(12) . ?
C161 O164 1.259(10) . ?
C161 O165 1.283(9) . ?
C167 H167 0.9300 . ?
C168 C169 1.376(12) . ?
C168 H168 0.9300 . ?
C169 C170 1.383(13) . ?
C169 H169 0.9300 . ?
C170 C286 1.490(11) . ?
C172 H172 0.9300 . ?
C174 C175 1.412(12) . ?
C174 C176 1.439(11) . ?
C176 C177 1.351(12) . ?
C176 H176 0.9300 . ?
C177 H177 0.9300 . ?
C178 H178 0.9300 . ?
C179 C180 1.380(12) . ?
C179 C302 1.396(12) . ?
C179 H179 0.9300 . ?
C180 C181 1.494(11) . ?
C181 C182 1.387(13) . ?
C181 C186 1.413(13) . ?
C182 C183 1.390(12) . ?
C182 H182 0.9300 . ?
C183 H183 0.9300 . ?
C185 C186 1.377(12) . ?
C185 H185 0.9300 . ?
C186 H186 0.9300 . ?
C187 C188 1.387(11) . ?
C187 H187 0.9300 . ?
C188 H188 0.9300 . ?
C190 C191 1.380(13) . ?
C190 H190 0.9300 . ?
C191 C192 1.376(14) . ?
C191 H191 0.9300 . ?
C192 C279 1.367(15) . ?
C192 C244 1.505(12) . ?
C193 H193 0.9300 . ?
C194 C195 1.393(12) . ?
C194 H194 0.9300 . ?
C195 C196 1.375(13) . ?
C195 H195 0.9300 . ?
C196 C197 1.392(14) . ?
C196 C199 1.488(12) . ?
C197 C198 1.360(13) . ?
C197 H197 0.9300 . ?
C198 H198 0.9300 . ?
C201 O300 1.254(10) . ?
C201 C202 1.488(11) . ?
C202 C255 1.353(14) . ?
C202 C203 1.382(12) . ?
C203 C257 1.381(13) . ?
C203 H203 0.9300 . ?
C205 H205 0.9300 . ?
C206 C207 1.392(13) . ?
C207 C208 1.389(12) . ?
C207 H207 0.9300 . ?
C208 H208 0.9300 . ?
C209 C210 1.393(13) . ?
C209 C214 1.403(13) . ?
C210 C211 1.411(12) . ?
C210 H210 0.9300 . ?
C211 C212 1.374(13) . ?
C211 H211 0.9300 . ?
C212 C213 1.372(14) . ?
C212 C249 1.515(11) . ?
C213 C214 1.390(13) . ?
C213 H213 0.9300 . ?
C214 H214 0.9300 . ?
C215 C216 1.379(12) . ?
C215 C217 1.493(9) . ?
C216 H216 0.9300 . ?
C217 C218 1.3900 . ?
C217 C221 1.3900 . ?
C218 C219 1.3900 . ?
C218 H218 0.9300 . ?
C219 C252 1.3900 . ?
C219 H219 0.9300 . ?
C252 C12 1.3900 . ?
C252 C253 1.489(8) . ?
C12 C221 1.3900 . ?
C12 H12 0.9300 . ?
C221 H221 0.9300 . ?
C222 H222 0.9300 . ?
C223 C225 1.386(12) . ?
C223 C224 1.396(12) . ?
C224 C226 1.360(12) . ?
C224 H224 0.9300 . ?
C225 H225 0.9300 . ?
C226 H226 0.9300 . ?
C227 C228 1.415(12) . ?
C227 H227 0.9300 . ?
C228 C296 1.362(12) . ?
C228 H228 0.9300 . ?
C229 C296 1.385(12) . ?
C229 H229 0.9300 . ?
O237 C269 1.271(10) . ?
C238 O239 1.254(11) . ?
C241 C243 1.366(13) . ?
C241 C242 1.373(13) . ?
C242 C250 1.382(12) . ?
C242 H242 0.9300 . ?
C243 C251 1.396(12) . ?
C243 H243 0.9300 . ?
C244 O284 1.249(11) . ?
C244 O283 1.254(11) . ?
O247 C249 1.239(12) . ?
O248 C249 1.239(12) . ?
C250 H250 0.9300 . ?
C251 H251 0.9300 . ?
C253 O295 1.265(10) . ?
C253 O254 1.282(10) . ?
C255 C256 1.360(14) . ?
C255 H255 0.9300 . ?
C256 C289 1.387(15) . ?
C256 H256 0.9300 . ?
C257 C289 1.359(14) . ?
C257 H257 0.9300 . ?
C258 O259 1.256(10) . ?
C269 O274 1.258(10) . ?
C276 H276 0.9300 . ?
C279 C280 1.389(13) . ?
C279 H279 0.9300 . ?
C280 H280 0.9300 . ?
C282 H282 0.9300 . ?
C286 O287 1.275(12) . ?
C289 C302 1.488(12) . ?
C296 C297 1.521(11) . ?
C297 O303 1.242(10) . ?
C297 O305 1.261(11) . ?
C308 H308 0.9300 . ?
N20 C15 1.47(2) . ?
N20 C14 1.49(2) . ?
N20 H20A 0.8900 . ?
N20 H20B 0.8900 . ?
C15 H15A 0.9599 . ?
C15 H15B 0.9601 . ?
C15 H15C 0.9601 . ?
C14 H14A 0.9598 . ?
C14 H14B 0.9597 . ?
C14 H14C 0.9593 . ?
C17 N46 1.45(2) . ?
C17 H17A 0.9594 . ?
C17 H17B 0.9603 . ?
C17 H17C 0.9599 . ?
C16 N46 1.46(2) . ?
C16 H16A 0.9597 . ?
C16 H16B 0.9602 . ?
C16 H16C 0.9597 . ?
N46 H46A 0.8900 . ?
N46 H46B 0.8900 . ?
N C22 1.45(2) . ?
N C18 1.46(2) . ?
N HA 0.8900 . ?
N HB 0.8900 . ?
C18 H18A 0.9605 . ?
C18 H18B 0.9602 . ?
C18 H18C 0.9600 . ?
C22 H22A 0.9598 . ?
C22 H22B 0.9597 . ?
C22 H22C 0.9602 . ?
N35 C52 1.45(2) . ?
N35 C4 1.47(2) . ?
N35 H35A 0.8900 . ?
N35 H35B 0.8900 . ?
C52 H52A 0.9595 . ?
C52 H52B 0.9598 . ?
C52 H52C 0.9603 . ?
C4 H4A 0.9598 . ?
C4 H4B 0.9605 . ?
C4 H4C 0.9606 . ?
C6W N29 1.44(2) . ?
C6W H6WA 0.9599 . ?
C6W H6WB 0.9603 . ?
C6W H6WC 0.9599 . ?
C9 N29 1.48(2) . ?
C9 H9A 0.9601 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
N29 H29A 0.8900 . ?
N29 H29B 0.8900 . ?
C60 N31 1.50(2) . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9601 . ?
C60 H60C 0.9601 . ?
N31 C61 1.47(2) . ?
N31 H31A 0.8900 . ?
N31 H31B 0.8900 . ?
C61 H61A 0.9599 . ?
C61 H61B 0.9602 . ?
C61 H61C 0.9598 . ?
C63 N23 1.46(2) . ?
C63 H63A 0.9595 . ?
C63 H63B 0.9599 . ?
C63 H63C 0.9601 . ?
N23 C62 1.47(2) . ?
N23 H23A 0.8900 . ?
N23 H23B 0.8900 . ?
C62 H62A 0.9598 . ?
C62 H62B 0.9607 . ?
C62 H62C 0.9599 . ?
N12 C80 1.418(18) . ?
N12 C51 1.430(18) . ?
N12 C58 1.435(19) . ?
C58 O78 1.193(19) . ?
C58 H58 0.9300 . ?
C51 H51A 0.9599 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9601 . ?
C80 H80A 0.9600 . ?
C80 H80B 0.9603 . ?
C80 H80C 0.9603 . ?
C78 N34 1.46(2) . ?
C78 H78A 0.9598 . ?
C78 H78B 0.9600 . ?
C78 H78C 0.9603 . ?
N34 C84 1.45(2) . ?
N34 H34A 0.8600 . ?
N34 H84C 1.4918 . ?
C84 H84A 0.9601 . ?
C84 H84B 0.9601 . ?
C84 H84C 0.9600 . ?
O4 H4D 0.8487 . ?
O4 H4E 0.8510 . ?
O2 H2A 0.8503 . ?
O2 H2B 0.8496 . ?
O3 H3A 0.8505 . ?
O3 H3B 0.8496 . ?
C10 N11 1.494(19) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9598 . ?
C10 H10C 0.9598 . ?
N11 C116 1.487(19) . ?
N11 H11A 0.8900 . ?
N11 H11B 0.8900 . ?
C116 H11C 0.9600 . ?
C116 H11D 0.9602 . ?
C116 H11E 0.9599 . ?
N1 C13 1.430(19) . ?
N1 C11 1.432(19) . ?
N1 C27 1.433(19) . ?
C11 O20 1.212(18) . ?
C11 H11 0.9300 . ?
C27 H27A 0.9599 . ?
C27 H27B 0.9596 . ?
C27 H27C 0.9599 . ?
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
Gd03 O285 C231 O298 92.5(14) 2_766 . . . ?
Gd03 O285 C231 C233 -89.0(13) 2_766 . . . ?
O298 C231 C233 C235 -177.7(10) . . . . ?
O285 C231 C233 C235 3.7(13) . . . . ?
O298 C231 C233 C226 2.1(14) . . . . ?
O285 C231 C233 C226 -176.5(9) . . . . ?
C226 C233 C235 C225 0.3(14) . . . . ?
C231 C233 C235 C225 -179.9(9) . . . . ?
Gd01 O17 C307 O9 -17.7(14) 1_454 . . . ?
Gd01 O17 C307 C291 166.2(6) 1_454 . . . ?
Gd05 O9 C307 O17 -59.9(12) 2_666 . . . ?
Gd05 O9 C307 C291 116.4(8) 2_666 . . . ?
Gd01 O60 C48 O61 -8.4(8) 2_757 . . . ?
Gd01 O60 C48 C49 167.4(7) 2_757 . . . ?
Gd01 O61 C48 O60 8.7(9) 2_757 . . . ?
Gd01 O61 C48 C49 -167.2(7) 2_757 . . . ?
O60 C48 C49 C308 177.5(9) . . . . ?
O61 C48 C49 C308 -6.6(13) . . . . ?
Gd01 C48 C49 C308 -80(3) 2_757 . . . ?
O60 C48 C49 C50 -7.5(13) . . . . ?
O61 C48 C49 C50 168.4(8) . . . . ?
Gd01 C48 C49 C50 95(3) 2_757 . . . ?
Gd01 O16 C114 O116 -85.1(15) 1_455 . . . ?
Gd01 O16 C114 C115 98.5(13) 1_455 . . . ?
O116 C114 C115 C149 168.0(10) . . . . ?
O16 C114 C115 C149 -15.5(13) . . . . ?
O116 C114 C115 C150 -11.7(14) . . . . ?
O16 C114 C115 C150 164.8(8) . . . . ?
Gd01 O267 C266 O10 3.8(12) 2_767 . . . ?
Gd01 O267 C266 C268 -175.4(5) 2_767 . . . ?
Gd05 O10 C266 O267 -85.9(14) . . . . ?
Gd05 O10 C266 C268 93.3(12) . . . . ?
O267 C266 C268 C251 3.9(12) . . . . ?
O10 C266 C268 C251 -175.4(8) . . . . ?
O267 C266 C268 C250 -177.7(8) . . . . ?
O10 C266 C268 C250 3.1(12) . . . . ?
Gd03 O142 C138 O141 0.7(10) 1_545 . . . ?
Gd03 O142 C138 C137 -178.3(6) 1_545 . . . ?
Gd05 O141 C138 O142 113.2(12) 1_545 . . . ?
Gd03 O141 C138 O142 -0.6(8) 1_545 . . . ?
Gd05 O141 C138 C137 -67.8(16) 1_545 . . . ?
Gd03 O141 C138 C137 178.4(7) 1_545 . . . ?
Gd05 O141 C138 Gd03 113.7(12) 1_545 . . 1_545 ?
O142 C138 C137 C270 -4.7(13) . . . . ?
O141 C138 C137 C270 176.3(9) . . . . ?
O142 C138 C137 C135 175.9(9) . . . . ?
O141 C138 C137 C135 -3.1(13) . . . . ?
C135 C137 C270 C271 2.3(16) . . . . ?
C138 C137 C270 C271 -177.1(10) . . . . ?
C137 C270 C271 C166 1.1(18) . . . . ?
C270 C271 C166 C136 -4.1(16) . . . . ?
C270 C271 C166 C175 176.1(10) . . . . ?
Gd02 O57 C54 O58 7.9(8) 1_655 . . . ?
Gd02 O57 C54 C56 -169.6(6) 1_655 . . . ?
Gd02 O58 C54 O57 -7.4(8) 1_655 . . . ?
Gd02 O58 C54 C56 170.1(6) 1_655 . . . ?
O57 C54 C56 C59 -23.1(12) . . . . ?
O58 C54 C56 C59 159.4(8) . . . . ?
Gd02 C54 C56 C59 -83(3) 1_655 . . . ?
O57 C54 C56 C95 151.7(9) . . . . ?
O58 C54 C56 C95 -25.9(12) . . . . ?
Gd02 C54 C56 C95 92(3) 1_655 . . . ?
C59 C56 C95 C96 5.1(14) . . . . ?
C54 C56 C95 C96 -169.7(8) . . . . ?
C56 C95 C96 C123 -3.6(15) . . . . ?
C95 C96 C123 C122 -0.5(14) . . . . ?
C95 C96 C123 C101 173.1(9) . . . . ?
Gd05 O11 C132 O278 24.2(10) 1_545 . . . ?
Gd05 O11 C132 C133 -155.2(5) 1_545 . . . ?
O278 C132 C133 C276 -13.6(12) . . . . ?
O11 C132 C133 C276 165.8(9) . . . . ?
O278 C132 C133 C275 167.3(9) . . . . ?
O11 C132 C133 C275 -13.2(12) . . . . ?
C276 C133 C275 C178 3.3(16) . . . . ?
C132 C133 C275 C178 -177.7(9) . . . . ?
C99 C2 C21 C32 -2.6(16) . . . . ?
C28 C23 C24 C25 -0.7(14) . . . . ?
C23 C24 C25 C29 -175.8(9) . . . . ?
C23 C24 C25 C26 6.9(13) . . . . ?
C29 C25 C26 C30 -3.3(12) . . . . ?
C24 C25 C26 C30 174.1(8) . . . . ?
C29 C25 C26 C53 176.1(8) . . . . ?
C24 C25 C26 C53 -6.5(12) . . . . ?
C25 C26 C53 C28 0.2(12) . . . . ?
C30 C26 C53 C28 179.6(8) . . . . ?
C25 C26 C53 C73 179.4(8) . . . . ?
C30 C26 C53 C73 -1.2(12) . . . . ?
C24 C23 C28 C76 178.1(9) . . . . ?
C24 C23 C28 C53 -5.9(13) . . . . ?
C73 C53 C28 C76 3.0(12) . . . . ?
C26 C53 C28 C76 -177.8(8) . . . . ?
C73 C53 C28 C23 -173.2(8) . . . . ?
C26 C53 C28 C23 6.0(12) . . . . ?
C26 C25 C29 C79 3.9(12) . . . . ?
C24 C25 C29 C79 -173.3(8) . . . . ?
C26 C25 C29 C82 -176.9(8) . . . . ?
C24 C25 C29 C82 5.8(13) . . . . ?
C25 C26 C30 C77 -0.2(12) . . . . ?
C53 C26 C30 C77 -179.6(8) . . . . ?
C25 C26 C30 C31 178.1(8) . . . . ?
C53 C26 C30 C31 -1.3(12) . . . . ?
C77 C30 C31 C72 -179.5(9) . . . . ?
C26 C30 C31 C72 2.2(14) . . . . ?
C205 C19 C32 C21 177.6(10) . . . . ?
C206 C19 C32 C21 -2.6(15) . . . . ?
C205 C19 C32 C33 -2.3(14) . . . . ?
C206 C19 C32 C33 177.5(8) . . . . ?
C2 C21 C32 C19 -175.4(10) . . . . ?
C2 C21 C32 C33 4.5(15) . . . . ?
C19 C32 C33 C155 0.8(13) . . . . ?
C21 C32 C33 C155 -179.1(9) . . . . ?
C19 C32 C33 C68 178.9(8) . . . . ?
C21 C32 C33 C68 -1.1(13) . . . . ?
C127 C34 C35 C124 -175.8(10) . . . . ?
C127 C34 C35 C36 4.2(14) . . . . ?
C124 C35 C36 C39 -5.2(13) . . . . ?
C34 C35 C36 C39 174.7(8) . . . . ?
C124 C35 C36 C37 177.3(8) . . . . ?
C34 C35 C36 C37 -2.8(13) . . . . ?
C39 C36 C37 C40 -0.1(12) . . . . ?
C35 C36 C37 C40 177.4(8) . . . . ?
C39 C36 C37 C38 -179.6(8) . . . . ?
C35 C36 C37 C38 -2.1(12) . . . . ?
C40 C37 C38 C64 2.5(12) . . . . ?
C36 C37 C38 C64 -178.0(8) . . . . ?
C40 C37 C38 C127 -174.0(8) . . . . ?
C36 C37 C38 C127 5.5(12) . . . . ?
C35 C36 C39 C97 4.9(13) . . . . ?
C37 C36 C39 C97 -177.6(8) . . . . ?
C35 C36 C39 C67 -175.6(8) . . . . ?
C37 C36 C39 C67 1.9(13) . . . . ?
C38 C37 C40 C66 -0.7(12) . . . . ?
C36 C37 C40 C66 179.8(8) . . . . ?
C38 C37 C40 C41 176.8(8) . . . . ?
C36 C37 C40 C41 -2.8(12) . . . . ?
C37 C40 C41 C67 3.9(13) . . . . ?
C66 C40 C41 C67 -178.8(9) . . . . ?
C88 C42 C43 C101 1.1(12) . . . . ?
C45 C42 C43 C101 -179.5(7) . . . . ?
C88 C42 C43 C44 -175.8(8) . . . . ?
C45 C42 C43 C44 3.6(11) . . . . ?
C101 C43 C44 C100 178.2(8) . . . . ?
C42 C43 C44 C100 -5.0(13) . . . . ?
C88 C42 C45 C46 -178.0(7) . . . . ?
C43 C42 C45 C46 2.6(11) . . . . ?
C88 C42 C45 C47 -0.5(11) . . . . ?
C43 C42 C45 C47 -179.8(7) . . . . ?
C42 C45 C46 C83 174.8(7) . . . . ?
C47 C45 C46 C83 -2.8(12) . . . . ?
C42 C45 C46 C100 -7.5(11) . . . . ?
C47 C45 C46 C100 175.0(7) . . . . ?
C46 C45 C47 C85 -2.1(12) . . . . ?
C42 C45 C47 C85 -179.7(7) . . . . ?
C46 C45 C47 C86 174.5(7) . . . . ?
C42 C45 C47 C86 -3.1(11) . . . . ?
C308 C49 C50 C121 1.8(14) . . . . ?
C48 C49 C50 C121 -173.4(8) . . . . ?
C95 C56 C59 C122 -2.4(14) . . . . ?
C54 C56 C59 C122 172.5(8) . . . . ?
C37 C38 C64 C65 -3.4(13) . . . . ?
C127 C38 C64 C65 172.9(9) . . . . ?
C37 C38 C64 C223 175.8(8) . . . . ?
C127 C38 C64 C223 -7.9(14) . . . . ?
C38 C64 C65 C66 2.6(15) . . . . ?
C223 C64 C65 C66 -176.7(9) . . . . ?
C64 C65 C66 C40 -0.7(15) . . . . ?
C64 C65 C66 C98 176.8(9) . . . . ?
C37 C40 C66 C65 -0.3(13) . . . . ?
C41 C40 C66 C65 -177.6(9) . . . . ?
C37 C40 C66 C98 -177.8(8) . . . . ?
C41 C40 C66 C98 4.8(13) . . . . ?
C40 C41 C67 C39 -2.1(15) . . . . ?
C36 C39 C67 C41 -0.8(14) . . . . ?
C97 C39 C67 C41 178.7(9) . . . . ?
C155 C33 C68 C99 173.9(8) . . . . ?
C32 C33 C68 C99 -4.1(13) . . . . ?
C155 C33 C68 C69 -2.3(13) . . . . ?
C32 C33 C68 C69 179.7(8) . . . . ?
C99 C68 C69 C215 1.3(13) . . . . ?
C33 C68 C69 C215 177.4(8) . . . . ?
C99 C68 C69 C70 177.6(8) . . . . ?
C33 C68 C69 C70 -6.3(13) . . . . ?
C215 C69 C70 C71 -174.9(9) . . . . ?
C68 C69 C70 C71 8.9(14) . . . . ?
C69 C70 C71 C155 -2.8(15) . . . . ?
C30 C31 C72 C73 -0.6(15) . . . . ?
C31 C72 C73 C74 179.6(9) . . . . ?
C31 C72 C73 C53 -1.9(13) . . . . ?
C28 C53 C73 C74 0.5(12) . . . . ?
C26 C53 C73 C74 -178.7(8) . . . . ?
C28 C53 C73 C72 -178.0(8) . . . . ?
C26 C53 C73 C72 2.8(12) . . . . ?
C72 C73 C74 C75 176.5(9) . . . . ?
C53 C73 C74 C75 -2.0(13) . . . . ?
C72 C73 C74 C241 -3.1(13) . . . . ?
C53 C73 C74 C241 178.5(8) . . . . ?
C73 C74 C75 C76 0.0(14) . . . . ?
C241 C74 C75 C76 179.6(8) . . . . ?
C74 C75 C76 C28 3.5(14) . . . . ?
C74 C75 C76 C153 -171.2(8) . . . . ?
C23 C28 C76 C75 171.1(8) . . . . ?
C53 C28 C76 C75 -4.9(12) . . . . ?
C23 C28 C76 C153 -14.5(13) . . . . ?
C53 C28 C76 C153 169.5(8) . . . . ?
C31 C30 C77 C79 -175.3(8) . . . . ?
C26 C30 C77 C79 2.9(12) . . . . ?
C31 C30 C77 C81 7.4(14) . . . . ?
C26 C30 C77 C81 -174.3(8) . . . . ?
C25 C29 C79 C77 -1.1(14) . . . . ?
C82 C29 C79 C77 179.7(8) . . . . ?
C30 C77 C79 C29 -2.4(13) . . . . ?
C81 C77 C79 C29 175.1(8) . . . . ?
C79 C77 C81 C148 39.4(12) . . . . ?
C30 C77 C81 C148 -143.3(9) . . . . ?
C79 C77 C81 C151 -133.5(9) . . . . ?
C30 C77 C81 C151 43.7(13) . . . . ?
C79 C29 C82 C152 -131.5(9) . . . . ?
C25 C29 C82 C152 49.4(12) . . . . ?
C79 C29 C82 C121 47.5(12) . . . . ?
C25 C29 C82 C121 -131.7(9) . . . . ?
C45 C46 C83 C103 5.1(12) . . . . ?
C100 C46 C83 C103 -172.6(8) . . . . ?
C45 C46 C83 C117 -174.7(7) . . . . ?
C100 C46 C83 C117 7.6(12) . . . . ?
C86 C47 C85 C103 -171.8(8) . . . . ?
C45 C47 C85 C103 4.6(12) . . . . ?
C86 C47 C85 C90 9.4(13) . . . . ?
C45 C47 C85 C90 -174.2(8) . . . . ?
C85 C47 C86 C87 179.5(8) . . . . ?
C45 C47 C86 C87 3.1(13) . . . . ?
C47 C86 C87 C88 0.5(14) . . . . ?
C43 C42 C88 C89 1.9(12) . . . . ?
C45 C42 C88 C89 -177.4(8) . . . . ?
C43 C42 C88 C87 -176.6(8) . . . . ?
C45 C42 C88 C87 4.0(12) . . . . ?
C86 C87 C88 C42 -4.2(13) . . . . ?
C86 C87 C88 C89 177.3(9) . . . . ?
C42 C88 C89 C102 -3.2(13) . . . . ?
C87 C88 C89 C102 175.3(9) . . . . ?
C42 C88 C89 C159 175.5(8) . . . . ?
C87 C88 C89 C159 -6.0(14) . . . . ?
C103 C85 C90 C91 -136.3(9) . . . . ?
C47 C85 C90 C91 42.5(12) . . . . ?
C103 C85 C90 C94 39.1(12) . . . . ?
C47 C85 C90 C94 -142.2(9) . . . . ?
C94 C90 C91 C92 -2.5(13) . . . . ?
C85 C90 C91 C92 173.0(8) . . . . ?
C90 C91 C92 C55 0.7(14) . . . . ?
C91 C92 C55 C167 0.5(13) . . . . ?
C91 C92 C55 C238 180.0(8) . . . . ?
C91 C90 C94 C167 3.3(13) . . . . ?
C85 C90 C94 C167 -172.3(8) . . . . ?
C36 C39 C97 C193 -1.3(14) . . . . ?
C67 C39 C97 C193 179.2(9) . . . . ?
C36 C39 C97 C125 179.4(9) . . . . ?
C67 C39 C97 C125 -0.1(15) . . . . ?
C65 C66 C98 C131 57.0(13) . . . . ?
C40 C66 C98 C131 -125.4(10) . . . . ?
C65 C66 C98 C128 -121.9(10) . . . . ?
C40 C66 C98 C128 55.7(12) . . . . ?
C21 C2 C99 C157 177.5(10) . . . . ?
C21 C2 C99 C68 -2.8(15) . . . . ?
C33 C68 C99 C157 -174.2(8) . . . . ?
C69 C68 C99 C157 1.9(13) . . . . ?
C33 C68 C99 C2 6.1(13) . . . . ?
C69 C68 C99 C2 -177.8(8) . . . . ?
C43 C44 C100 C46 0.1(13) . . . . ?
C45 C46 C100 C44 6.3(12) . . . . ?
C83 C46 C100 C44 -176.0(8) . . . . ?
C44 C43 C101 C102 173.8(8) . . . . ?
C42 C43 C101 C102 -2.9(12) . . . . ?
C44 C43 C101 C123 -8.1(13) . . . . ?
C42 C43 C101 C123 175.2(8) . . . . ?
C96 C123 C101 C102 -50.0(12) . . . . ?
C122 C123 C101 C102 123.4(9) . . . . ?
C96 C123 C101 C43 131.9(9) . . . . ?
C122 C123 C101 C43 -54.7(12) . . . . ?
C88 C89 C102 C101 1.5(14) . . . . ?
C159 C89 C102 C101 -177.3(9) . . . . ?
C43 C101 C102 C89 1.6(14) . . . . ?
C123 C101 C102 C89 -176.6(9) . . . . ?
C46 C83 C103 C85 -2.6(13) . . . . ?
C117 C83 C103 C85 177.3(8) . . . . ?
C47 C85 C103 C83 -2.3(13) . . . . ?
C90 C85 C103 C83 176.5(8) . . . . ?
C174 C104 C105 C111 -1.9(13) . . . . ?
C109 C104 C105 C111 176.0(8) . . . . ?
C174 C104 C105 C106 174.6(8) . . . . ?
C109 C104 C105 C106 -7.5(12) . . . . ?
C111 C105 C106 C107 -179.6(9) . . . . ?
C104 C105 C106 C107 3.9(13) . . . . ?
C105 C106 C107 C108 3.5(15) . . . . ?
C106 C107 C108 C180 174.3(10) . . . . ?
C106 C107 C108 C109 -7.1(14) . . . . ?
C180 C108 C109 C110 1.2(14) . . . . ?
C107 C108 C109 C110 -177.5(9) . . . . ?
C180 C108 C109 C104 -177.9(9) . . . . ?
C107 C108 C109 C104 3.4(13) . . . . ?
C174 C104 C109 C108 -178.3(8) . . . . ?
C105 C104 C109 C108 3.8(13) . . . . ?
C174 C104 C109 C110 2.6(13) . . . . ?
C105 C104 C109 C110 -175.3(8) . . . . ?
C108 C109 C110 C302 -1.9(14) . . . . ?
C104 C109 C110 C302 177.3(9) . . . . ?
C108 C109 C110 C177 176.6(9) . . . . ?
C104 C109 C110 C177 -4.3(13) . . . . ?
C104 C105 C111 C112 5.1(13) . . . . ?
C106 C105 C111 C112 -171.3(9) . . . . ?
C104 C105 C111 C113 -171.2(8) . . . . ?
C106 C105 C111 C113 12.4(13) . . . . ?
C105 C111 C112 C175 -5.8(15) . . . . ?
C113 C111 C112 C175 170.6(9) . . . . ?
C112 C111 C113 C172 53.8(13) . . . . ?
C105 C111 C113 C172 -130.0(10) . . . . ?
C112 C111 C113 C168 -124.3(10) . . . . ?
C105 C111 C113 C168 51.9(12) . . . . ?
C103 C83 C117 C188 44.8(12) . . . . ?
C46 C83 C117 C188 -135.3(9) . . . . ?
C103 C83 C117 C118 -132.4(9) . . . . ?
C46 C83 C117 C118 47.4(12) . . . . ?
C188 C117 C118 C119 3.1(14) . . . . ?
C83 C117 C118 C119 -179.5(9) . . . . ?
C117 C118 C119 C120 -3.0(15) . . . . ?
C118 C119 C120 C187 2.5(14) . . . . ?
C118 C119 C120 C269 175.5(8) . . . . ?
C152 C82 C121 C50 -2.2(13) . . . . ?
C29 C82 C121 C50 178.8(8) . . . . ?
C49 C50 C121 C82 0.1(14) . . . . ?
C96 C123 C122 C59 3.3(13) . . . . ?
C101 C123 C122 C59 -170.3(8) . . . . ?
C56 C59 C122 C123 -1.9(14) . . . . ?
C36 C35 C124 C193 2.0(14) . . . . ?
C34 C35 C124 C193 -178.0(9) . . . . ?
C36 C35 C124 C126 179.4(9) . . . . ?
C34 C35 C124 C126 -0.6(15) . . . . ?
C193 C97 C125 C280 -115.4(11) . . . . ?
C39 C97 C125 C280 64.0(13) . . . . ?
C193 C97 C125 C190 64.3(13) . . . . ?
C39 C97 C125 C190 -116.4(11) . . . . ?
C35 C124 C126 C194 52.8(15) . . . . ?
C193 C124 C126 C194 -129.8(11) . . . . ?
C35 C124 C126 C198 -126.0(11) . . . . ?
C193 C124 C126 C198 51.4(14) . . . . ?
C35 C34 C127 C38 -0.7(15) . . . . ?
C64 C38 C127 C34 179.4(9) . . . . ?
C37 C38 C127 C34 -4.2(14) . . . . ?
C131 C98 C128 C129 -1.0(13) . . . . ?
C66 C98 C128 C129 177.9(8) . . . . ?
C98 C128 C129 C130 2.6(14) . . . . ?
C128 C129 C130 C222 -1.7(14) . . . . ?
C128 C129 C130 C161 179.6(8) . . . . ?
C128 C98 C131 C222 -1.4(14) . . . . ?
C66 C98 C131 C222 179.7(8) . . . . ?
C270 C137 C135 C136 -2.6(14) . . . . ?
C138 C137 C135 C136 176.8(9) . . . . ?
C271 C166 C136 C135 3.8(15) . . . . ?
C175 C166 C136 C135 -176.4(9) . . . . ?
C137 C135 C136 C166 -0.5(15) . . . . ?
Gd04 O13 C143 O246 -111.1(12) . . . . ?
Gd02 O13 C143 O246 -6.2(8) 2_656 . . . ?
Gd04 O13 C143 C144 70.7(14) . . . . ?
Gd02 O13 C143 C144 175.6(7) 2_656 . . . ?
Gd04 O13 C143 Gd02 -104.9(11) . . . 2_656 ?
O246 C143 C144 C208 -158.8(9) . . . . ?
O13 C143 C144 C208 19.5(13) . . . . ?
O246 C143 C144 C282 20.0(13) . . . . ?
O13 C143 C144 C282 -161.7(9) . . . . ?
C151 C81 C148 C149 1.5(14) . . . . ?
C77 C81 C148 C149 -171.8(9) . . . . ?
C150 C115 C149 C148 1.0(14) . . . . ?
C114 C115 C149 C148 -178.8(9) . . . . ?
C81 C148 C149 C115 -1.8(15) . . . . ?
C149 C115 C150 C151 0.0(13) . . . . ?
C114 C115 C150 C151 179.7(8) . . . . ?
C115 C150 C151 C81 -0.2(14) . . . . ?
C148 C81 C151 C150 -0.5(13) . . . . ?
C77 C81 C151 C150 172.7(8) . . . . ?
C121 C82 C152 C308 2.4(13) . . . . ?
C29 C82 C152 C308 -178.6(8) . . . . ?
C75 C76 C153 C227 -48.1(12) . . . . ?
C28 C76 C153 C227 137.4(9) . . . . ?
C75 C76 C153 C154 129.3(9) . . . . ?
C28 C76 C153 C154 -45.2(12) . . . . ?
C227 C153 C154 C229 3.4(14) . . . . ?
C76 C153 C154 C229 -174.1(8) . . . . ?
C70 C71 C155 C156 178.0(9) . . . . ?
C70 C71 C155 C33 -5.9(14) . . . . ?
C68 C33 C155 C156 -175.4(8) . . . . ?
C32 C33 C155 C156 2.6(13) . . . . ?
C68 C33 C155 C71 8.3(13) . . . . ?
C32 C33 C155 C71 -173.6(8) . . . . ?
C71 C155 C156 C205 171.5(9) . . . . ?
C33 C155 C156 C205 -4.6(14) . . . . ?
C71 C155 C156 C209 -13.6(14) . . . . ?
C33 C155 C156 C209 170.3(8) . . . . ?
C2 C99 C157 C216 176.6(9) . . . . ?
C68 C99 C157 C216 -3.1(14) . . . . ?
C2 C99 C157 C158 -3.4(15) . . . . ?
C68 C99 C157 C158 176.9(8) . . . . ?
C216 C157 C158 C5 -49(2) . . . . ?
C99 C157 C158 C5 131.1(18) . . . . ?
C216 C157 C158 C7A 76.2(16) . . . . ?
C99 C157 C158 C7A -103.8(16) . . . . ?
C216 C157 C158 C5A -112.3(16) . . . . ?
C99 C157 C158 C5A 67.7(18) . . . . ?
C216 C157 C158 C7 123.4(14) . . . . ?
C99 C157 C158 C7 -56.6(17) . . . . ?
C7 C158 C5 C6 6(4) . . . . ?
C157 C158 C5 C6 178(2) . . . . ?
C158 C5 C6 C291 -2(5) . . . . ?
C5 C158 C7 C8 -6(3) . . . . ?
C157 C158 C7 C8 -178.2(17) . . . . ?
C291 C8 C7 C158 1(3) . . . . ?
C5 C6 C291 C8 -3(4) . . . . ?
C5 C6 C291 C307 -178(2) . . . . ?
C7 C8 C291 C6 3(3) . . . . ?
C7 C8 C291 C307 178.3(16) . . . . ?
O17 C307 C291 C8A 7.5(17) . . . . ?
O9 C307 C291 C8A -169.0(13) . . . . ?
O17 C307 C291 C6A -164.0(13) . . . . ?
O9 C307 C291 C6A 19.5(15) . . . . ?
O17 C307 C291 C6 134.5(17) . . . . ?
O9 C307 C291 C6 -41.9(18) . . . . ?
O17 C307 C291 C8 -40.6(16) . . . . ?
O9 C307 C291 C8 143.0(14) . . . . ?
C7A C158 C5A C6A -12(3) . . . . ?
C157 C158 C5A C6A 175.8(17) . . . . ?
C8A C291 C6A C5A 9(3) . . . . ?
C307 C291 C6A C5A -179.4(17) . . . . ?
C158 C5A C6A C291 2(3) . . . . ?
C5A C158 C7A C8A 11(3) . . . . ?
C157 C158 C7A C8A -176.7(17) . . . . ?
C6A C291 C8A C7A -10(3) . . . . ?
C307 C291 C8A C7A 178.4(18) . . . . ?
C158 C7A C8A C291 0(3) . . . . ?
C276 C277 C159 C178 2.0(17) . . . . ?
C276 C277 C159 C89 -175.2(10) . . . . ?
C102 C89 C159 C277 126.8(10) . . . . ?
C88 C89 C159 C277 -51.9(14) . . . . ?
C102 C89 C159 C178 -50.3(13) . . . . ?
C88 C89 C159 C178 131.0(10) . . . . ?
C222 C130 C161 O164 -157.9(8) . . . . ?
C129 C130 C161 O164 20.7(12) . . . . ?
C222 C130 C161 O165 19.8(12) . . . . ?
C129 C130 C161 O165 -161.6(8) . . . . ?
O165 C161 O164 Gd04 -0.6(8) . . . 1_565 ?
C130 C161 O164 Gd04 177.1(6) . . . 1_565 ?
O164 C161 O165 Gd02 -126.6(9) . . . 2_666 ?
C130 C161 O165 Gd02 55.7(13) . . . 2_666 ?
Gd04 C161 O165 Gd02 -127.2(9) 1_565 . . 2_666 ?
O164 C161 O165 Gd04 0.6(7) . . . 1_565 ?
C130 C161 O165 Gd04 -177.1(6) . . . 1_565 ?
C90 C94 C167 C55 -2.2(14) . . . . ?
C92 C55 C167 C94 0.2(13) . . . . ?
C238 C55 C167 C94 -179.3(9) . . . . ?
C172 C113 C168 C169 -0.6(15) . . . . ?
C111 C113 C168 C169 177.6(9) . . . . ?
C113 C168 C169 C170 0.9(16) . . . . ?
C172 C3 C170 C169 -2.8(14) . . . . ?
C172 C3 C170 C286 176.6(8) . . . . ?
C168 C169 C170 C3 0.8(15) . . . . ?
C168 C169 C170 C286 -178.6(9) . . . . ?
C168 C113 C172 C3 -1.3(14) . . . . ?
C111 C113 C172 C3 -179.4(8) . . . . ?
C170 C3 C172 C113 3.0(14) . . . . ?
C105 C104 C174 C175 -0.9(13) . . . . ?
C109 C104 C174 C175 -178.8(8) . . . . ?
C105 C104 C174 C176 179.7(8) . . . . ?
C109 C104 C174 C176 1.8(13) . . . . ?
C111 C112 C175 C174 3.0(15) . . . . ?
C111 C112 C175 C166 -178.0(9) . . . . ?
C104 C174 C175 C112 0.4(14) . . . . ?
C176 C174 C175 C112 179.9(9) . . . . ?
C104 C174 C175 C166 -178.6(8) . . . . ?
C176 C174 C175 C166 0.9(14) . . . . ?
C136 C166 C175 C112 -59.5(13) . . . . ?
C271 C166 C175 C112 120.4(11) . . . . ?
C136 C166 C175 C174 119.5(10) . . . . ?
C271 C166 C175 C174 -60.7(13) . . . . ?
C175 C174 C176 C177 176.0(10) . . . . ?
C104 C174 C176 C177 -4.6(15) . . . . ?
C174 C176 C177 C110 2.9(16) . . . . ?
C302 C110 C177 C176 180.0(10) . . . . ?
C109 C110 C177 C176 1.6(16) . . . . ?
C277 C159 C178 C275 0.4(15) . . . . ?
C89 C159 C178 C275 177.5(9) . . . . ?
C133 C275 C178 C159 -3.1(16) . . . . ?
C302 C179 C180 C108 0.3(16) . . . . ?
C302 C179 C180 C181 -177.8(10) . . . . ?
C109 C108 C180 C179 -0.4(15) . . . . ?
C107 C108 C180 C179 178.2(10) . . . . ?
C109 C108 C180 C181 177.5(9) . . . . ?
C107 C108 C180 C181 -3.9(15) . . . . ?
C179 C180 C181 C182 -50.3(14) . . . . ?
C108 C180 C181 C182 131.7(10) . . . . ?
C179 C180 C181 C186 125.7(11) . . . . ?
C108 C180 C181 C186 -52.3(15) . . . . ?
C186 C181 C182 C183 0.3(15) . . . . ?
C180 C181 C182 C183 176.5(9) . . . . ?
C181 C182 C183 C1 -0.5(16) . . . . ?
C185 C1 C183 C182 0.3(15) . . . . ?
C258 C1 C183 C182 175.4(9) . . . . ?
C183 C1 C185 C186 -0.1(16) . . . . ?
C258 C1 C185 C186 -175.0(9) . . . . ?
C1 C185 C186 C181 0.0(17) . . . . ?
C182 C181 C186 C185 -0.1(15) . . . . ?
C180 C181 C186 C185 -176.2(10) . . . . ?
C119 C120 C187 C188 -2.4(14) . . . . ?
C269 C120 C187 C188 -175.3(9) . . . . ?
C120 C187 C188 C117 2.7(15) . . . . ?
C118 C117 C188 C187 -3.0(14) . . . . ?
C83 C117 C188 C187 179.7(9) . . . . ?
C280 C125 C190 C191 3.7(15) . . . . ?
C97 C125 C190 C191 -175.9(9) . . . . ?
C125 C190 C191 C192 0.3(15) . . . . ?
C190 C191 C192 C279 -3.0(15) . . . . ?
C190 C191 C192 C244 177.2(9) . . . . ?
C39 C97 C193 C124 -1.9(16) . . . . ?
C125 C97 C193 C124 177.4(10) . . . . ?
C35 C124 C193 C97 1.6(16) . . . . ?
C126 C124 C193 C97 -175.9(10) . . . . ?
C198 C126 C194 C195 2.3(15) . . . . ?
C124 C126 C194 C195 -176.5(9) . . . . ?
C126 C194 C195 C196 -1.9(16) . . . . ?
C194 C195 C196 C197 0.0(15) . . . . ?
C194 C195 C196 C199 175.4(9) . . . . ?
C195 C196 C197 C198 1.5(16) . . . . ?
C199 C196 C197 C198 -173.9(10) . . . . ?
C196 C197 C198 C126 -1.0(17) . . . . ?
C194 C126 C198 C197 -0.9(15) . . . . ?
C124 C126 C198 C197 178.0(10) . . . . ?
Gd04 O147 C199 O1 0.2(11) . . . . ?
Gd04 O147 C199 C196 179.2(8) . . . . ?
Gd04 O1 C199 O147 -0.2(10) . . . . ?
Gd04 O1 C199 C196 -179.2(8) . . . . ?
C195 C196 C199 O147 -21.5(14) . . . . ?
C197 C196 C199 O147 153.8(10) . . . . ?
C195 C196 C199 O1 157.5(10) . . . . ?
C197 C196 C199 O1 -27.2(15) . . . . ?
Gd04 O80 C201 O300 -44.4(16) . . . . ?
Gd04 O80 C201 C202 134.1(9) . . . . ?
O80 C201 C202 C255 172.2(10) . . . . ?
O300 C201 C202 C255 -9.2(15) . . . . ?
O80 C201 C202 C203 -8.0(14) . . . . ?
O300 C201 C202 C203 170.6(10) . . . . ?
C255 C202 C203 C257 4.1(18) . . . . ?
C201 C202 C203 C257 -175.7(11) . . . . ?
C32 C19 C205 C156 0.3(16) . . . . ?
C206 C19 C205 C156 -179.5(9) . . . . ?
C155 C156 C205 C19 3.3(16) . . . . ?
C209 C156 C205 C19 -171.7(9) . . . . ?
C282 C20 C206 C207 2.5(16) . . . . ?
C282 C20 C206 C19 177.9(10) . . . . ?
C205 C19 C206 C207 50.2(13) . . . . ?
C32 C19 C206 C207 -129.7(10) . . . . ?
C205 C19 C206 C20 -125.2(11) . . . . ?
C32 C19 C206 C20 55.0(14) . . . . ?
C20 C206 C207 C208 -2.5(14) . . . . ?
C19 C206 C207 C208 -178.1(9) . . . . ?
C206 C207 C208 C144 0.3(15) . . . . ?
C282 C144 C208 C207 2.1(14) . . . . ?
C143 C144 C208 C207 -179.1(8) . . . . ?
C205 C156 C209 C210 119.6(10) . . . . ?
C155 C156 C209 C210 -55.3(13) . . . . ?
C205 C156 C209 C214 -56.0(13) . . . . ?
C155 C156 C209 C214 129.1(10) . . . . ?
C214 C209 C210 C211 1.8(15) . . . . ?
C156 C209 C210 C211 -173.9(9) . . . . ?
C209 C210 C211 C212 -1.3(15) . . . . ?
C210 C211 C212 C213 -1.0(15) . . . . ?
C210 C211 C212 C249 176.7(9) . . . . ?
C211 C212 C213 C214 2.6(15) . . . . ?
C249 C212 C213 C214 -175.1(9) . . . . ?
C212 C213 C214 C209 -2.0(15) . . . . ?
C210 C209 C214 C213 -0.2(14) . . . . ?
C156 C209 C214 C213 175.4(9) . . . . ?
C68 C69 C215 C216 -3.3(14) . . . . ?
C70 C69 C215 C216 -179.5(9) . . . . ?
C68 C69 C215 C217 178.1(8) . . . . ?
C70 C69 C215 C217 2.0(14) . . . . ?
C69 C215 C216 C157 2.3(15) . . . . ?
C217 C215 C216 C157 -179.2(9) . . . . ?
C99 C157 C216 C215 1.0(15) . . . . ?
C158 C157 C216 C215 -179.0(9) . . . . ?
C216 C215 C217 C218 -126.4(8) . . . . ?
C69 C215 C217 C218 52.1(10) . . . . ?
C216 C215 C217 C221 56.8(10) . . . . ?
C69 C215 C217 C221 -124.7(8) . . . . ?
C221 C217 C218 C219 0.0 . . . . ?
C215 C217 C218 C219 -176.8(7) . . . . ?
C217 C218 C219 C252 0.0 . . . . ?
C218 C219 C252 C12 0.0 . . . . ?
C218 C219 C252 C253 175.7(7) . . . . ?
C219 C252 C12 C221 0.0 . . . . ?
C253 C252 C12 C221 -175.6(7) . . . . ?
C252 C12 C221 C217 0.0 . . . . ?
C218 C217 C221 C12 0.0 . . . . ?
C215 C217 C221 C12 176.8(7) . . . . ?
C129 C130 C222 C131 -0.7(13) . . . . ?
C161 C130 C222 C131 178.0(8) . . . . ?
C98 C131 C222 C130 2.2(14) . . . . ?
C65 C64 C223 C225 -42.0(13) . . . . ?
C38 C64 C223 C225 138.8(9) . . . . ?
C65 C64 C223 C224 132.3(10) . . . . ?
C38 C64 C223 C224 -46.9(13) . . . . ?
C225 C223 C224 C226 -1.4(14) . . . . ?
C64 C223 C224 C226 -175.9(9) . . . . ?
C224 C223 C225 C235 1.6(14) . . . . ?
C64 C223 C225 C235 176.3(9) . . . . ?
C233 C235 C225 C223 -1.2(15) . . . . ?
C223 C224 C226 C233 0.6(15) . . . . ?
C235 C233 C226 C224 0.0(15) . . . . ?
C231 C233 C226 C224 -179.8(9) . . . . ?
C154 C153 C227 C228 -3.0(14) . . . . ?
C76 C153 C227 C228 174.4(9) . . . . ?
C153 C227 C228 C296 -0.1(15) . . . . ?
C153 C154 C229 C296 -0.7(15) . . . . ?
Gd02 O14 C238 O239 -84.1(13) . . . . ?
Gd02 O14 C238 C55 97.2(9) . . . . ?
C167 C55 C238 O239 171.4(9) . . . . ?
C92 C55 C238 O239 -8.1(14) . . . . ?
C167 C55 C238 O14 -9.8(13) . . . . ?
C92 C55 C238 O14 170.7(8) . . . . ?
C75 C74 C241 C243 -117.7(10) . . . . ?
C73 C74 C241 C243 61.8(12) . . . . ?
C75 C74 C241 C242 63.6(12) . . . . ?
C73 C74 C241 C242 -116.9(10) . . . . ?
C243 C241 C242 C250 -0.4(15) . . . . ?
C74 C241 C242 C250 178.4(9) . . . . ?
C242 C241 C243 C251 -0.2(15) . . . . ?
C74 C241 C243 C251 -178.9(9) . . . . ?
C279 C192 C244 O284 -176.1(9) . . . . ?
C191 C192 C244 O284 3.7(14) . . . . ?
C279 C192 C244 O283 4.8(14) . . . . ?
C191 C192 C244 O283 -175.4(9) . . . . ?
C279 C192 C244 Gd03 72(3) . . . 2_666 ?
C191 C192 C244 Gd03 -108(3) . . . 2_666 ?
O13 C143 O246 Gd02 7.3(10) . . . 2_656 ?
C144 C143 O246 Gd02 -174.5(6) . . . 2_656 ?
Gd05 O247 C249 O248 24.5(13) 2_766 . . . ?
Gd05 O247 C249 C212 -153.5(6) 2_766 . . . ?
Gd03 O248 C249 O247 27.1(18) 2_766 . . . ?
Gd03 O248 C249 C212 -155.0(9) 2_766 . . . ?
C213 C212 C249 O247 144.8(9) . . . . ?
C211 C212 C249 O247 -32.9(12) . . . . ?
C213 C212 C249 O248 -33.3(12) . . . . ?
C211 C212 C249 O248 148.9(9) . . . . ?
C241 C242 C250 C268 0.2(15) . . . . ?
C251 C268 C250 C242 0.5(14) . . . . ?
C266 C268 C250 C242 -178.1(8) . . . . ?
C250 C268 C251 C243 -1.0(15) . . . . ?
C266 C268 C251 C243 177.5(9) . . . . ?
C241 C243 C251 C268 0.9(16) . . . . ?
C219 C252 C253 O295 -178.9(6) . . . . ?
C12 C252 C253 O295 -3.2(10) . . . . ?
C219 C252 C253 O254 -1.0(10) . . . . ?
C12 C252 C253 O254 174.7(6) . . . . ?
O295 C253 O254 Gd02 -2.9(9) . . . 2_666 ?
C252 C253 O254 Gd02 179.2(6) . . . 2_666 ?
C203 C202 C255 C256 -2(2) . . . . ?
C201 C202 C255 C256 177.7(12) . . . . ?
C202 C255 C256 C289 -3(2) . . . . ?
C202 C203 C257 C289 -1(2) . . . . ?
Gd03 O12 C258 O259 6.8(9) . . . . ?
Gd03 O12 C258 C1 -168.1(7) . . . . ?
C185 C1 C258 O12 174.7(9) . . . . ?
C183 C1 C258 O12 -0.3(13) . . . . ?
C185 C1 C258 O259 -0.4(13) . . . . ?
C183 C1 C258 O259 -175.3(9) . . . . ?
C185 C1 C258 Gd03 77(4) . . . . ?
C183 C1 C258 Gd03 -98(3) . . . . ?
O12 C258 O259 Gd03 -6.9(9) . . . . ?
C1 C258 O259 Gd03 168.0(7) . . . . ?
Gd03 O237 C269 O274 -100.2(10) . . . . ?
Gd05 O237 C269 O274 14.4(8) . . . . ?
Gd03 O237 C269 C120 80.7(10) . . . . ?
Gd05 O237 C269 C120 -164.7(7) . . . . ?
Gd03 O237 C269 Gd05 -114.5(7) . . . . ?
C119 C120 C269 O274 -174.8(8) . . . . ?
C187 C120 C269 O274 -1.8(13) . . . . ?
C119 C120 C269 O237 4.3(12) . . . . ?
C187 C120 C269 O237 177.3(8) . . . . ?
C119 C120 C269 Gd05 -99(3) . . . . ?
C187 C120 C269 Gd05 74(3) . . . . ?
O237 C269 O274 Gd05 -15.1(9) . . . . ?
C120 C269 O274 Gd05 164.0(6) . . . . ?
C275 C133 C276 C277 -0.9(17) . . . . ?
C132 C133 C276 C277 -179.9(10) . . . . ?
C159 C277 C276 C133 -1.8(19) . . . . ?
C191 C192 C279 C280 1.8(16) . . . . ?
C244 C192 C279 C280 -178.4(10) . . . . ?
C190 C125 C280 C279 -5.0(15) . . . . ?
C97 C125 C280 C279 174.7(9) . . . . ?
C192 C279 C280 C125 2.3(17) . . . . ?
C206 C20 C282 C144 -0.2(17) . . . . ?
C208 C144 C282 C20 -2.1(15) . . . . ?
C143 C144 C282 C20 179.0(9) . . . . ?
O284 C244 O283 Gd03 -12.7(10) . . . 2_666 ?
C192 C244 O283 Gd03 166.4(7) . . . 2_666 ?
O283 C244 O284 Gd03 11.8(9) . . . 2_666 ?
C192 C244 O284 Gd03 -167.3(8) . . . 2_666 ?
Gd02 O15 C286 O287 -23.2(14) . . . . ?
Gd02 O15 C286 C170 158.3(6) . . . . ?
C3 C170 C286 O15 21.6(12) . . . . ?
C169 C170 C286 O15 -159.0(9) . . . . ?
C3 C170 C286 O287 -157.1(8) . . . . ?
C169 C170 C286 O287 22.3(12) . . . . ?
O15 C286 O287 Gd04 -47.0(10) . . . 2_656 ?
C170 C286 O287 Gd04 131.5(6) . . . 2_656 ?
C203 C257 C289 C256 -3.0(19) . . . . ?
C203 C257 C289 C302 172.2(11) . . . . ?
C255 C256 C289 C257 5(2) . . . . ?
C255 C256 C289 C302 -170.3(12) . . . . ?
O254 C253 O295 Gd02 2.8(8) . . . 2_666 ?
C252 C253 O295 Gd02 -179.4(7) . . . 2_666 ?
C227 C228 C296 C229 2.9(14) . . . . ?
C227 C228 C296 C297 -173.3(9) . . . . ?
C154 C229 C296 C228 -2.5(14) . . . . ?
C154 C229 C296 C297 173.8(8) . . . . ?
C228 C296 C297 O303 -23.6(13) . . . . ?
C229 C296 C297 O303 160.3(8) . . . . ?
C228 C296 C297 O305 154.5(9) . . . . ?
C229 C296 C297 O305 -21.7(11) . . . . ?
C228 C296 C297 Gd01 99(3) . . . . ?
C229 C296 C297 Gd01 -77(3) . . . . ?
O80 C201 O300 Gd04 -42.3(17) . . . 2_756 ?
C202 C201 O300 Gd04 139.2(9) . . . 2_756 ?
C180 C179 C302 C110 -0.9(16) . . . . ?
C180 C179 C302 C289 174.9(10) . . . . ?
C109 C110 C302 C179 1.7(15) . . . . ?
C177 C110 C302 C179 -176.7(10) . . . . ?
C109 C110 C302 C289 -173.8(9) . . . . ?
C177 C110 C302 C289 7.8(16) . . . . ?
C257 C289 C302 C179 -113.9(12) . . . . ?
C256 C289 C302 C179 61.2(15) . . . . ?
C257 C289 C302 C110 61.8(15) . . . . ?
C256 C289 C302 C110 -123.1(12) . . . . ?
O305 C297 O303 Gd01 -8.3(8) . . . . ?
C296 C297 O303 Gd01 169.7(7) . . . . ?
O303 C297 O305 Gd01 9.0(9) . . . . ?
C296 C297 O305 Gd01 -169.1(6) . . . . ?
C82 C152 C308 C49 -0.6(14) . . . . ?
C50 C49 C308 C152 -1.5(14) . . . . ?
C48 C49 C308 C152 173.5(8) . . . . ?
C80 N12 C58 O78 -170(4) . . . . ?
C51 N12 C58 O78 -19(6) . . . . ?
C13 N1 C11 O20 164(4) . . . . ?
C27 N1 C11 O20 -20(5) . . . . ?
