#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:55:43 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179218 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/44/4314464.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_4314464
loop_
_publ_author_name
'William J. Evans'
'Elizabeth Montalvo'
'Joseph W. Ziller'
'Antonio G. DiPasquale'
'Arnold L. Rheingold'
_publ_section_title
;
 Uranium Metallocene Complexes of the
 1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidinato Ligand, (hpp)-
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              222
_journal_page_last               228
_journal_paper_doi               10.1021/ic901790t
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C54 H84 N6 Se U2'
_chemical_formula_weight         1372.29
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXTL
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.2203(6)
_cell_length_b                   16.9397(7)
_cell_length_c                   19.8735(8)
_cell_measurement_reflns_used    9403
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      30.48
_cell_measurement_theta_min      4.25
_cell_volume                     5123.9(4)
_computing_cell_refinement       'Bruker SMART APEX2/SAINT'
_computing_data_collection       'Bruker SMART APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_method       'phi and omega'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0264
_diffrn_reflns_av_sigmaI/netI    0.0279
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            70771
_diffrn_reflns_theta_full        30.48
_diffrn_reflns_theta_max         30.48
_diffrn_reflns_theta_min         4.14
_exptl_absorpt_coefficient_mu    7.065
_exptl_absorpt_correction_T_max  0.3471
_exptl_absorpt_correction_T_min  0.2108
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.779
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             2672
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.19
_refine_diff_density_max         2.149
_refine_diff_density_min         -0.695
_refine_diff_density_rms         0.103
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.098(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     588
_refine_ls_number_reflns         15440
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0226
_refine_ls_R_factor_gt           0.0199
_refine_ls_shift/su_max          0.059
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0262P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0464
_refine_ls_wR_factor_ref         0.0470
_reflns_number_gt                14532
_reflns_number_total             15440
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901790t_si_002_4.cif
_cod_data_source_block           em24
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               4314464
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
U1 U -0.017738(5) 0.505572(6) 0.085093(4) 0.01215(2) Uani 1 1 d . . .
U2 U 0.354273(5) 0.499201(6) 0.098208(4) 0.01115(2) Uani 1 1 d . . .
Se1 Se 0.168994(15) 0.510910(16) 0.077408(13) 0.01405(5) Uani 1 1 d . . .
N2 N -0.12902(14) 0.52080(14) 0.17425(11) 0.0165(5) Uani 1 1 d . . .
N1 N 0.01394(14) 0.51972(13) 0.19984(11) 0.0160(5) Uani 1 1 d . . .
N3 N -0.08724(15) 0.55064(15) 0.28705(12) 0.0193(5) Uani 1 1 d . . .
N4 N 0.30957(16) 0.39984(14) 0.17322(13) 0.0172(5) Uani 1 1 d . . .
N5 N 0.45420(16) 0.40442(14) 0.15374(13) 0.0168(5) Uani 1 1 d . . .
N6 N 0.40024(16) 0.30197(15) 0.22390(13) 0.0223(5) Uani 1 1 d . . .
C1 C 0.0206(2) 0.34665(16) 0.06440(16) 0.0177(6) Uani 1 1 d . . .
C2 C -0.0415(2) 0.34698(17) 0.11714(15) 0.0197(6) Uani 1 1 d . . .
C3 C -0.12418(19) 0.36839(17) 0.08862(16) 0.0217(6) Uani 1 1 d . . .
C4 C -0.1121(2) 0.38386(18) 0.01911(17) 0.0202(7) Uani 1 1 d . . .
C5 C -0.0217(2) 0.37193(16) 0.00457(15) 0.0176(6) Uani 1 1 d . . .
C6 C 0.11020(19) 0.30816(17) 0.06801(17) 0.0195(6) Uani 1 1 d . . .
H6A H 0.1549 0.3485 0.0766 0.029 Uiso 1 1 calc R . .
H6B H 0.1229 0.2818 0.0252 0.029 Uiso 1 1 calc R . .
H6C H 0.1108 0.2693 0.1045 0.029 Uiso 1 1 calc R . .
C7 C -0.0272(2) 0.32062(19) 0.18884(16) 0.0274(7) Uani 1 1 d . . .
H7A H -0.0531 0.2682 0.1953 0.041 Uiso 1 1 calc R . .
H7B H -0.0552 0.3583 0.2196 0.041 Uiso 1 1 calc R . .
H7C H 0.0359 0.3183 0.1982 0.041 Uiso 1 1 calc R . .
C8 C -0.2116(2) 0.3578(2) 0.12265(19) 0.0312(8) Uani 1 1 d . . .
H8A H -0.2541 0.3951 0.1036 0.047 Uiso 1 1 calc R . .
H8B H -0.2053 0.3677 0.1710 0.047 Uiso 1 1 calc R . .
H8C H -0.2325 0.3037 0.1155 0.047 Uiso 1 1 calc R . .
C9 C -0.1870(2) 0.3892(2) -0.02964(19) 0.0300(7) Uani 1 1 d . . .
H9A H -0.2224 0.3410 -0.0270 0.045 Uiso 1 1 calc R . .
H9B H -0.1639 0.3953 -0.0754 0.045 Uiso 1 1 calc R . .
H9C H -0.2237 0.4349 -0.0184 0.045 Uiso 1 1 calc R . .
C10 C 0.0185(2) 0.37412(18) -0.06437(15) 0.0234(6) Uani 1 1 d . . .
H10A H 0.0515 0.4234 -0.0699 0.035 Uiso 1 1 calc R . .
H10B H -0.0281 0.3714 -0.0984 0.035 Uiso 1 1 calc R . .
H10C H 0.0583 0.3291 -0.0698 0.035 Uiso 1 1 calc R . .
C11 C 0.0078(2) 0.66118(16) 0.04156(15) 0.0182(6) Uani 1 1 d . . .
C12 C -0.0763(2) 0.66064(16) 0.07393(14) 0.0185(5) Uani 1 1 d . . .
C13 C -0.1343(2) 0.61712(17) 0.03252(16) 0.0166(6) Uani 1 1 d . . .
C14 C -0.08719(19) 0.59167(17) -0.02547(14) 0.0188(6) Uani 1 1 d . . .
C15 C -0.0002(2) 0.61813(17) -0.01905(15) 0.0186(6) Uani 1 1 d . . .
C16 C 0.0866(2) 0.70748(18) 0.06292(18) 0.0254(7) Uani 1 1 d . . .
H16A H 0.1392 0.6746 0.0587 0.038 Uiso 1 1 calc R . .
H16B H 0.0796 0.7240 0.1099 0.038 Uiso 1 1 calc R . .
H16C H 0.0926 0.7542 0.0342 0.038 Uiso 1 1 calc R . .
C17 C -0.0988(2) 0.70511(18) 0.13699(15) 0.0241(6) Uani 1 1 d . . .
H17A H -0.1595 0.6933 0.1500 0.036 Uiso 1 1 calc R . .
H17B H -0.0928 0.7619 0.1289 0.036 Uiso 1 1 calc R . .
H17C H -0.0589 0.6891 0.1732 0.036 Uiso 1 1 calc R . .
C18 C -0.23296(19) 0.6112(2) 0.04030(17) 0.0261(7) Uani 1 1 d . . .
H18A H -0.2513 0.6396 0.0809 0.039 Uiso 1 1 calc R . .
H18B H -0.2499 0.5555 0.0442 0.039 Uiso 1 1 calc R . .
H18C H -0.2616 0.6344 0.0009 0.039 Uiso 1 1 calc R . .
C19 C -0.1259(2) 0.56136(18) -0.09022(15) 0.0253(6) Uani 1 1 d . . .
H19A H -0.1308 0.6048 -0.1225 0.038 Uiso 1 1 calc R . .
H19B H -0.1844 0.5394 -0.0815 0.038 Uiso 1 1 calc R . .
H19C H -0.0878 0.5201 -0.1088 0.038 Uiso 1 1 calc R . .
C20 C 0.0677(2) 0.61449(19) -0.07416(16) 0.0264(7) Uani 1 1 d . . .
H20A H 0.0768 0.5594 -0.0876 0.040 Uiso 1 1 calc R . .
H20B H 0.1232 0.6366 -0.0577 0.040 Uiso 1 1 calc R . .
H20C H 0.0473 0.6450 -0.1130 0.040 Uiso 1 1 calc R . .
C21 C 0.33910(18) 0.43141(17) -0.02876(14) 0.0173(5) Uani 1 1 d . . .
C22 C 0.41908(19) 0.40194(17) -0.00189(14) 0.0173(5) Uani 1 1 d . . .
C23 C 0.47989(18) 0.46482(17) -0.00018(14) 0.0166(5) Uani 1 1 d . . .
C24 C 0.43842(19) 0.53296(16) -0.02675(14) 0.0179(5) Uani 1 1 d . . .
C25 C 0.35076(16) 0.51235(17) -0.04321(12) 0.0171(5) Uani 1 1 d . . .
C26 C 0.26179(19) 0.3814(2) -0.04837(16) 0.0246(7) Uani 1 1 d . . .
H26A H 0.2073 0.4102 -0.0391 0.037 Uiso 1 1 calc R . .
H26B H 0.2625 0.3323 -0.0223 0.037 Uiso 1 1 calc R . .
H26C H 0.2651 0.3690 -0.0965 0.037 Uiso 1 1 calc R . .
C27 C 0.4355(2) 0.31587(17) 0.01244(15) 0.0238(6) Uani 1 1 d . . .
H27A H 0.4988 0.3068 0.0172 0.036 Uiso 1 1 calc R . .
H27B H 0.4128 0.2839 -0.0248 0.036 Uiso 1 1 calc R . .
H27C H 0.4056 0.3009 0.0542 0.036 Uiso 1 1 calc R . .
C28 C 0.57806(18) 0.45737(18) 0.01361(15) 0.0228(6) Uani 1 1 d . . .
H28A H 0.5943 0.4014 0.0153 0.034 Uiso 1 1 calc R . .
H28B H 0.5920 0.4823 0.0568 0.034 Uiso 1 1 calc R . .
H28C H 0.6110 0.4836 -0.0224 0.034 Uiso 1 1 calc R . .
C29 C 0.4822(2) 0.60670(18) -0.05155(16) 0.0242(6) Uani 1 1 d . . .
H29A H 0.5440 0.6067 -0.0377 0.036 Uiso 1 1 calc R . .
H29B H 0.4525 0.6529 -0.0324 0.036 Uiso 1 1 calc R . .
H29C H 0.4786 0.6088 -0.1008 0.036 Uiso 1 1 calc R . .
C30 C 0.2885(2) 0.56396(19) -0.08096(16) 0.0260(6) Uani 1 1 d . . .
H30A H 0.3081 0.5689 -0.1277 0.039 Uiso 1 1 calc R . .
H30B H 0.2868 0.6163 -0.0600 0.039 Uiso 1 1 calc R . .
H30C H 0.2296 0.5405 -0.0799 0.039 Uiso 1 1 calc R . .
C31 C 0.3192(2) 0.63328(17) 0.17700(15) 0.0174(6) Uani 1 1 d . . .
C32 C 0.36954(18) 0.58289(17) 0.21864(14) 0.0175(5) Uani 1 1 d . . .
C33 C 0.45632(19) 0.58132(17) 0.19229(15) 0.0186(6) Uani 1 1 d . . .
C34 C 0.4579(2) 0.62866(18) 0.13333(15) 0.0202(6) Uani 1 1 d . . .
C35 C 0.3725(2) 0.65977(17) 0.12353(15) 0.0190(6) Uani 1 1 d . . .
C36 C 0.2296(2) 0.66562(18) 0.19515(16) 0.0211(6) Uani 1 1 d . . .
H36A H 0.1841 0.6347 0.1723 0.032 Uiso 1 1 calc R . .
H36B H 0.2256 0.7209 0.1809 0.032 Uiso 1 1 calc R . .
H36C H 0.2212 0.6622 0.2439 0.032 Uiso 1 1 calc R . .
C37 C 0.3417(2) 0.54607(18) 0.28409(14) 0.0228(6) Uani 1 1 d . . .
H37A H 0.3628 0.5785 0.3216 0.034 Uiso 1 1 calc R . .
H37B H 0.3669 0.4930 0.2876 0.034 Uiso 1 1 calc R . .
H37C H 0.2775 0.5427 0.2857 0.034 Uiso 1 1 calc R . .
C38 C 0.5354(2) 0.54956(19) 0.22801(17) 0.0277(7) Uani 1 1 d . . .
H38A H 0.5547 0.5875 0.2622 0.041 Uiso 1 1 calc R . .
H38B H 0.5829 0.5410 0.1955 0.041 Uiso 1 1 calc R . .
H38C H 0.5205 0.4994 0.2497 0.041 Uiso 1 1 calc R . .
C39 C 0.5422(2) 0.6536(2) 0.09852(16) 0.0277(7) Uani 1 1 d . . .
H39A H 0.5288 0.6937 0.0644 0.042 Uiso 1 1 calc R . .
H39B H 0.5691 0.6077 0.0768 0.042 Uiso 1 1 calc R . .
H39C H 0.5829 0.6756 0.1318 0.042 Uiso 1 1 calc R . .
C40 C 0.3449(2) 0.71846(17) 0.07048(16) 0.0259(7) Uani 1 1 d . . .
H40A H 0.3972 0.7436 0.0513 0.039 Uiso 1 1 calc R . .
H40B H 0.3072 0.7588 0.0909 0.039 Uiso 1 1 calc R . .
H40C H 0.3125 0.6911 0.0348 0.039 Uiso 1 1 calc R . .
C41 C -0.06933(18) 0.53054(15) 0.22177(14) 0.0158(5) Uani 1 1 d . . .
C42 C 0.08209(17) 0.51873(17) 0.25073(13) 0.0188(6) Uani 1 1 d . . .
H42A H 0.1403 0.5244 0.2290 0.023 Uiso 1 1 calc R . .
H42B H 0.0810 0.4676 0.2748 0.023 Uiso 1 1 calc R . .
C43 C 0.06804(19) 0.58586(18) 0.30058(14) 0.0219(6) Uani 1 1 d . . .
H43A H 0.1158 0.5860 0.3344 0.026 Uiso 1 1 calc R . .
H43B H 0.0690 0.6371 0.2767 0.026 Uiso 1 1 calc R . .
C44 C -0.01948(19) 0.57457(19) 0.33491(14) 0.0229(6) Uani 1 1 d . . .
H44A H -0.0137 0.5338 0.3703 0.027 Uiso 1 1 calc R . .
H44B H -0.0372 0.6246 0.3568 0.027 Uiso 1 1 calc R . .
C45 C -0.17736(19) 0.5488(2) 0.31302(15) 0.0249(7) Uani 1 1 d . . .
H45A H -0.1988 0.6035 0.3194 0.030 Uiso 1 1 calc R . .
H45B H -0.1782 0.5221 0.3573 0.030 Uiso 1 1 calc R . .
C46 C -0.23700(17) 0.5059(2) 0.26520(13) 0.0258(6) Uani 1 1 d . . .
H46A H -0.2991 0.5153 0.2778 0.031 Uiso 1 1 calc R . .
H46B H -0.2256 0.4484 0.2676 0.031 Uiso 1 1 calc R . .
C47 C -0.22049(18) 0.53542(18) 0.19410(14) 0.0199(6) Uani 1 1 d . . .
H47A H -0.2605 0.5081 0.1625 0.024 Uiso 1 1 calc R . .
H47B H -0.2329 0.5927 0.1918 0.024 Uiso 1 1 calc R . .
C48 C 0.3895(2) 0.36704(18) 0.18464(15) 0.0190(6) Uani 1 1 d . . .
C49 C 0.54259(19) 0.37150(19) 0.15898(15) 0.0209(6) Uani 1 1 d . . .
H49A H 0.5862 0.4143 0.1532 0.025 Uiso 1 1 calc R . .
H49B H 0.5517 0.3326 0.1224 0.025 Uiso 1 1 calc R . .
C50 C 0.55726(19) 0.33130(18) 0.22682(15) 0.0228(6) Uani 1 1 d . . .
H50A H 0.6162 0.3067 0.2279 0.027 Uiso 1 1 calc R . .
H50B H 0.5542 0.3709 0.2634 0.027 Uiso 1 1 calc R . .
C51 C 0.4874(2) 0.26889(18) 0.23725(16) 0.0251(6) Uani 1 1 d . . .
H51A H 0.4984 0.2239 0.2066 0.030 Uiso 1 1 calc R . .
H51B H 0.4901 0.2492 0.2841 0.030 Uiso 1 1 calc R . .
C52 C 0.3252(2) 0.25807(19) 0.25107(17) 0.0278(7) Uani 1 1 d . . .
H52A H 0.3181 0.2706 0.2994 0.033 Uiso 1 1 calc R . .
H52B H 0.3364 0.2007 0.2469 0.033 Uiso 1 1 calc R . .
C54 C 0.2417(2) 0.27888(18) 0.21391(18) 0.0257(7) Uani 1 1 d . . .
H54A H 0.2431 0.2563 0.1680 0.031 Uiso 1 1 calc R . .
H54B H 0.1902 0.2568 0.2379 0.031 Uiso 1 1 calc R . .
C55 C 0.23437(19) 0.36767(18) 0.21024(16) 0.0193(6) Uani 1 1 d . . .
H55A H 0.1791 0.3825 0.1872 0.023 Uiso 1 1 calc R . .
H55B H 0.2330 0.3900 0.2563 0.023 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 '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
Cnt1 U1 Se1 104.3 . . ?
Cnt1 U1 N2 95.2 . . ?
Cnt1 U1 N1 110.2 . . ?
Cnt1 U1 C41 105.9 . . ?
Cnt2 U1 Se1 100.8 . . ?
Cnt2 U1 N2 96.3 . . ?
Cnt2 U1 N1 117.1 . . ?
Cnt2 U1 C41 106.9 . . ?
Cnt1 U1 Cnt2 129.0 . . ?
Cnt3 U2 Se1 100.6 . . ?
Cnt3 U2 N4 122.2 . . ?
Cnt3 U2 N5 95.3 . . ?
Cnt3 U2 C48 109.8 . . ?
Cnt4 U2 Se1 105.6 . . ?
Cnt4 U2 N4 106.6 . . ?
Cnt4 U2 N5 96.6 . . ?
Cnt4 U2 C48 103.8 . . ?
Cnt3 U2 Cnt4 127.2 . . ?
N1 U1 N2 55.32(7) . . ?
N1 U1 C5 130.51(8) . . ?
N2 U1 C5 119.04(8) . . ?
N1 U1 C12 92.70(8) . . ?
N2 U1 C12 74.83(8) . . ?
C5 U1 C12 135.86(8) . . ?
N1 U1 C2 84.42(8) . . ?
N2 U1 C2 81.22(8) . . ?
C5 U1 C2 48.82(9) . . ?
C12 U1 C2 152.54(9) . . ?
N1 U1 C1 101.50(8) . . ?
N2 U1 C1 110.57(8) . . ?
C5 U1 C1 29.57(8) . . ?
C12 U1 C1 165.41(9) . . ?
C2 U1 C1 29.36(9) . . ?
N1 U1 C13 115.17(8) . . ?
N2 U1 C13 76.22(8) . . ?
C5 U1 C13 108.81(9) . . ?
C12 U1 C13 29.37(8) . . ?
C2 U1 C13 130.96(9) . . ?
C1 U1 C13 137.00(9) . . ?
N1 U1 C11 100.13(8) . . ?
N2 U1 C11 102.64(8) . . ?
C5 U1 C11 126.37(9) . . ?
C12 U1 C11 29.73(8) . . ?
C2 U1 C11 175.18(9) . . ?
C1 U1 C11 146.60(8) . . ?
C13 U1 C11 48.42(9) . . ?
N1 U1 C15 128.62(8) . . ?
N2 U1 C15 121.38(8) . . ?
C5 U1 C15 97.48(9) . . ?
C12 U1 C15 48.34(8) . . ?
C2 U1 C15 146.15(9) . . ?
C1 U1 C15 121.60(9) . . ?
C13 U1 C15 47.95(9) . . ?
C11 U1 C15 29.08(9) . . ?
N1 U1 C3 100.22(9) . . ?
N2 U1 C3 71.05(8) . . ?
C5 U1 C3 48.12(9) . . ?
C12 U1 C3 126.35(9) . . ?
C2 U1 C3 29.42(9) . . ?
C1 U1 C3 48.00(8) . . ?
C13 U1 C3 101.58(9) . . ?
C11 U1 C3 149.15(9) . . ?
C15 U1 C3 128.71(9) . . ?
N1 U1 C4 128.97(9) . . ?
N2 U1 C4 93.47(9) . . ?
C5 U1 C4 29.32(9) . . ?
C12 U1 C4 119.16(9) . . ?
C2 U1 C4 48.57(9) . . ?
C1 U1 C4 48.30(9) . . ?
C13 U1 C4 89.84(8) . . ?
C11 U1 C4 127.72(9) . . ?
C15 U1 C4 101.53(9) . . ?
C3 U1 C4 28.98(9) . . ?
N1 U1 C14 140.96(8) . . ?
N2 U1 C14 104.27(8) . . ?
C5 U1 C14 87.98(8) . . ?
C12 U1 C14 48.28(8) . . ?
C2 U1 C14 128.60(9) . . ?
C1 U1 C14 117.38(9) . . ?
C13 U1 C14 29.26(8) . . ?
C11 U1 C14 47.91(8) . . ?
C15 U1 C14 28.69(8) . . ?
C3 U1 C14 103.14(9) . . ?
C4 U1 C14 80.04(9) . . ?
N1 U1 Se1 81.00(5) . . ?
N2 U1 Se1 136.15(5) . . ?
C5 U1 Se1 90.95(6) . . ?
C12 U1 Se1 106.60(6) . . ?
C2 U1 Se1 99.93(6) . . ?
C1 U1 Se1 79.26(6) . . ?
C13 U1 Se1 126.31(6) . . ?
C11 U1 Se1 79.35(6) . . ?
C15 U1 Se1 81.08(6) . . ?
C3 U1 Se1 126.73(6) . . ?
C4 U1 Se1 120.27(6) . . ?
C14 U1 Se1 108.27(6) . . ?
N1 U1 C41 27.96(7) . . ?
N2 U1 C41 27.47(7) . . ?
C5 U1 C41 131.54(8) . . ?
C12 U1 C41 81.26(8) . . ?
C2 U1 C41 83.67(8) . . ?
C1 U1 C41 109.93(8) . . ?
C13 U1 C41 94.64(8) . . ?
C11 U1 C41 101.09(8) . . ?
C15 U1 C41 128.45(8) . . ?
C3 U1 C41 86.61(8) . . ?
C4 U1 C41 114.08(9) . . ?
C14 U1 C41 123.82(8) . . ?
Se1 U1 C41 108.69(6) . . ?
N4 U2 N5 55.21(8) . . ?
N4 U2 C22 97.64(8) . . ?
N5 U2 C22 73.42(8) . . ?
N4 U2 C35 127.96(9) . . ?
N5 U2 C35 119.56(8) . . ?
C22 U2 C35 132.66(9) . . ?
N4 U2 C21 104.82(8) . . ?
N5 U2 C21 100.83(8) . . ?
C22 U2 C21 29.66(8) . . ?
C35 U2 C21 125.20(8) . . ?
N4 U2 C34 124.62(9) . . ?
N5 U2 C34 92.93(9) . . ?
C22 U2 C34 116.53(9) . . ?
C35 U2 C34 29.45(9) . . ?
C21 U2 C34 126.75(8) . . ?
N4 U2 C32 81.02(8) . . ?
N5 U2 C32 84.02(8) . . ?
C22 U2 C32 152.85(8) . . ?
C35 U2 C32 48.67(8) . . ?
C21 U2 C32 173.86(8) . . ?
C34 U2 C32 48.64(9) . . ?
N4 U2 C23 119.51(8) . . ?
N5 U2 C23 75.89(8) . . ?
C22 U2 C23 29.40(8) . . ?
C35 U2 C23 105.20(8) . . ?
C21 U2 C23 48.43(8) . . ?
C34 U2 C23 87.26(9) . . ?
C32 U2 C23 130.43(8) . . ?
N4 U2 C33 95.33(9) . . ?
N5 U2 C33 71.54(9) . . ?
C22 U2 C33 125.34(8) . . ?
C35 U2 C33 48.53(9) . . ?
C21 U2 C33 148.94(8) . . ?
C34 U2 C33 29.43(9) . . ?
C32 U2 C33 29.44(8) . . ?
C23 U2 C33 101.02(8) . . ?
N4 U2 C31 99.81(8) . . ?
N5 U2 C31 113.16(9) . . ?
C22 U2 C31 161.88(8) . . ?
C35 U2 C31 29.22(8) . . ?
C21 U2 C31 145.42(9) . . ?
C34 U2 C31 48.15(9) . . ?
C32 U2 C31 29.26(8) . . ?
C23 U2 C31 133.48(9) . . ?
C33 U2 C31 48.09(9) . . ?
N4 U2 C25 133.13(9) . . ?
N5 U2 C25 120.53(8) . . ?
C22 U2 C25 48.45(8) . . ?
C35 U2 C25 96.03(9) . . ?
C21 U2 C25 29.19(8) . . ?
C34 U2 C25 101.42(9) . . ?
C32 U2 C25 144.69(8) . . ?
C23 U2 C25 48.12(8) . . ?
C33 U2 C25 129.55(8) . . ?
C31 U2 C25 119.20(8) . . ?
N4 U2 C24 145.72(8) . . ?
N5 U2 C24 104.05(8) . . ?
C22 U2 C24 48.15(8) . . ?
C35 U2 C24 85.22(8) . . ?
C21 U2 C24 47.95(8) . . ?
C34 U2 C24 78.84(8) . . ?
C32 U2 C24 127.40(8) . . ?
C23 U2 C24 29.05(8) . . ?
C33 U2 C24 103.46(8) . . ?
C31 U2 C24 114.11(8) . . ?
C25 U2 C24 28.93(7) . . ?
N4 U2 Se1 81.70(6) . . ?
N5 U2 Se1 135.81(6) . . ?
C22 U2 Se1 106.82(6) . . ?
C35 U2 Se1 93.25(6) . . ?
C21 U2 Se1 79.37(6) . . ?
C34 U2 Se1 122.66(6) . . ?
C32 U2 Se1 99.84(6) . . ?
C23 U2 Se1 126.03(6) . . ?
C33 U2 Se1 127.55(6) . . ?
C31 U2 Se1 80.61(6) . . ?
C25 U2 Se1 80.30(5) . . ?
C24 U2 Se1 107.66(6) . . ?
N4 U2 C48 27.89(8) . . ?
N5 U2 C48 27.34(8) . . ?
C22 U2 C48 84.21(8) . . ?
C35 U2 C48 129.47(9) . . ?
C21 U2 C48 103.66(8) . . ?
C34 U2 C48 110.94(9) . . ?
C32 U2 C48 82.39(8) . . ?
C23 U2 C48 97.36(8) . . ?
C33 U2 C48 83.36(9) . . ?
C31 U2 C48 109.41(9) . . ?
C25 U2 C48 131.39(8) . . ?
C24 U2 C48 126.38(8) . . ?
Se1 U2 C48 108.97(6) . . ?
U1 Se1 U2 167.201(11) . . ?
C41 N2 C47 116.0(2) . . ?
C41 N2 U1 93.12(16) . . ?
C47 N2 U1 149.60(18) . . ?
C41 N1 C42 116.6(2) . . ?
C41 N1 U1 97.74(16) . . ?
C42 N1 U1 145.64(17) . . ?
C41 N3 C44 123.1(2) . . ?
C41 N3 C45 121.0(2) . . ?
C44 N3 C45 115.9(2) . . ?
C48 N4 C55 117.7(2) . . ?
C48 N4 U2 98.04(18) . . ?
C55 N4 U2 144.20(19) . . ?
C48 N5 C49 118.0(2) . . ?
C48 N5 U2 93.46(17) . . ?
C49 N5 U2 147.89(18) . . ?
C48 N6 C51 121.5(3) . . ?
C48 N6 C52 121.9(2) . . ?
C51 N6 C52 116.4(2) . . ?
C2 C1 C5 108.5(3) . . ?
C2 C1 C6 124.7(3) . . ?
C5 C1 C6 125.4(3) . . ?
C2 C1 U1 75.29(16) . . ?
C5 C1 U1 74.73(16) . . ?
C6 C1 U1 126.75(18) . . ?
C1 C2 C3 107.2(3) . . ?
C1 C2 C7 127.1(3) . . ?
C3 C2 C7 125.2(3) . . ?
C1 C2 U1 75.35(16) . . ?
C3 C2 U1 77.20(16) . . ?
C7 C2 U1 118.9(2) . . ?
C4 C3 C2 108.6(3) . . ?
C4 C3 C8 125.1(3) . . ?
C2 C3 C8 124.9(3) . . ?
C4 C3 U1 75.53(17) . . ?
C2 C3 U1 73.38(16) . . ?
C8 C3 U1 127.93(19) . . ?
C3 C4 C5 107.3(3) . . ?
C3 C4 C9 122.8(3) . . ?
C5 C4 C9 127.9(3) . . ?
C3 C4 U1 75.49(17) . . ?
C5 C4 U1 72.95(16) . . ?
C9 C4 U1 129.8(2) . . ?
C1 C5 C4 108.2(3) . . ?
C1 C5 C10 126.0(3) . . ?
C4 C5 C10 125.2(3) . . ?
C1 C5 U1 75.70(16) . . ?
C4 C5 U1 77.73(17) . . ?
C10 C5 U1 119.86(19) . . ?
C15 C11 C12 107.6(3) . . ?
C15 C11 C16 125.6(3) . . ?
C12 C11 C16 126.4(3) . . ?
C15 C11 U1 76.45(16) . . ?
C12 C11 U1 74.42(15) . . ?
C16 C11 U1 121.14(19) . . ?
C13 C12 C11 107.4(2) . . ?
C13 C12 C17 127.2(3) . . ?
C11 C12 C17 125.1(3) . . ?
C13 C12 U1 75.77(16) . . ?
C11 C12 U1 75.84(15) . . ?
C17 C12 U1 118.68(19) . . ?
C12 C13 C14 108.3(3) . . ?
C12 C13 C18 126.5(3) . . ?
C14 C13 C18 124.2(3) . . ?
C12 C13 U1 74.87(16) . . ?
C14 C13 U1 77.19(16) . . ?
C18 C13 U1 123.15(19) . . ?
C15 C14 C13 107.7(3) . . ?
C15 C14 C19 123.8(3) . . ?
C13 C14 C19 126.7(3) . . ?
C15 C14 U1 75.08(17) . . ?
C13 C14 U1 73.55(16) . . ?
C19 C14 U1 129.16(19) . . ?
C14 C15 C11 108.8(3) . . ?
C14 C15 C20 124.6(3) . . ?
C11 C15 C20 125.6(3) . . ?
C14 C15 U1 76.23(17) . . ?
C11 C15 U1 74.47(16) . . ?
C20 C15 U1 124.71(19) . . ?
C25 C21 C22 108.1(2) . . ?
C25 C21 C26 126.4(3) . . ?
C22 C21 C26 124.8(3) . . ?
C25 C21 U2 76.89(16) . . ?
C22 C21 U2 74.51(16) . . ?
C26 C21 U2 122.24(18) . . ?
C23 C22 C21 107.8(2) . . ?
C23 C22 C27 128.1(3) . . ?
C21 C22 C27 123.6(3) . . ?
C23 C22 U2 76.52(16) . . ?
C21 C22 U2 75.83(16) . . ?
C27 C22 U2 119.99(18) . . ?
C22 C23 C24 108.3(2) . . ?
C22 C23 C28 125.8(3) . . ?
C24 C23 C28 124.8(2) . . ?
C22 C23 U2 74.08(16) . . ?
C24 C23 U2 77.67(16) . . ?
C28 C23 U2 124.19(19) . . ?
C25 C24 C23 107.7(2) . . ?
C25 C24 C29 123.2(3) . . ?
C23 C24 C29 127.1(3) . . ?
C25 C24 U2 74.27(15) . . ?
C23 C24 U2 73.28(16) . . ?
C29 C24 U2 130.76(19) . . ?
C21 C25 C24 108.1(2) . . ?
C21 C25 C30 126.3(3) . . ?
C24 C25 C30 124.7(3) . . ?
C21 C25 U2 73.91(15) . . ?
C24 C25 U2 76.79(15) . . ?
C30 C25 U2 124.03(18) . . ?
C35 C31 C32 108.7(3) . . ?
C35 C31 C36 125.7(3) . . ?
C32 C31 C36 124.6(3) . . ?
C35 C31 U2 74.22(17) . . ?
C32 C31 U2 74.65(16) . . ?
C36 C31 U2 126.66(19) . . ?
C31 C32 C33 107.4(3) . . ?
C31 C32 C37 127.2(3) . . ?
C33 C32 C37 124.9(3) . . ?
C31 C32 U2 76.10(17) . . ?
C33 C32 U2 75.63(16) . . ?
C37 C32 U2 120.52(19) . . ?
C34 C33 C32 108.0(3) . . ?
C34 C33 C38 125.5(3) . . ?
C32 C33 C38 125.4(3) . . ?
C34 C33 U2 74.87(17) . . ?
C32 C33 U2 74.92(16) . . ?
C38 C33 U2 125.73(19) . . ?
C35 C34 C33 107.9(3) . . ?
C35 C34 C39 127.5(3) . . ?
C33 C34 C39 123.2(3) . . ?
C35 C34 U2 74.89(16) . . ?
C33 C34 U2 75.70(17) . . ?
C39 C34 U2 125.6(2) . . ?
C31 C35 C34 107.8(3) . . ?
C31 C35 C40 125.2(3) . . ?
C34 C35 C40 126.6(3) . . ?
C31 C35 U2 76.56(17) . . ?
C34 C35 U2 75.66(16) . . ?
C40 C35 U2 119.37(19) . . ?
N2 C41 N1 113.4(2) . . ?
N2 C41 N3 124.9(2) . . ?
N1 C41 N3 121.7(2) . . ?
N2 C41 U1 59.41(14) . . ?
N1 C41 U1 54.30(13) . . ?
N3 C41 U1 172.8(2) . . ?
N1 C42 C43 110.2(2) . . ?
C44 C43 C42 108.9(2) . . ?
N3 C44 C43 111.4(2) . . ?
N3 C45 C46 110.7(2) . . ?
C45 C46 C47 109.2(3) . . ?
N2 C47 C46 110.6(2) . . ?
N5 C48 N4 113.2(3) . . ?
N5 C48 N6 124.4(3) . . ?
N4 C48 N6 122.4(3) . . ?
N5 C48 U2 59.20(15) . . ?
N4 C48 U2 54.08(14) . . ?
N6 C48 U2 175.6(2) . . ?
N5 C49 C50 111.6(2) . . ?
C51 C50 C49 109.3(2) . . ?
N6 C51 C50 110.1(2) . . ?
N6 C52 C54 110.9(2) . . ?
C55 C54 C52 108.5(3) . . ?
N4 C55 C54 109.7(3) . . ?
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
U1 Cnt1 2.529 . ?
U1 Cnt2 2.538 . ?
U2 Cnt3 2.531 . ?
U2 Cnt4 2.521 . ?
U1 N1 2.343(2) . ?
U1 N2 2.465(2) . ?
U1 C5 2.773(3) . ?
U1 C12 2.783(3) . ?
U1 C2 2.785(3) . ?
U1 C1 2.785(3) . ?
U1 C13 2.795(3) . ?
U1 C11 2.801(3) . ?
U1 C15 2.827(3) . ?
U1 C3 2.834(3) . ?
U1 C4 2.834(3) . ?
U1 C14 2.841(3) . ?
U1 Se1 2.8476(3) . ?
U1 C41 2.859(3) . ?
U2 N4 2.349(2) . ?
U2 N5 2.472(2) . ?
U2 C22 2.765(3) . ?
U2 C35 2.780(3) . ?
U2 C21 2.782(3) . ?
U2 C34 2.790(3) . ?
U2 C32 2.791(3) . ?
U2 C23 2.796(3) . ?
U2 C33 2.801(3) . ?
U2 C31 2.810(3) . ?
U2 C25 2.820(2) . ?
U2 C24 2.852(3) . ?
U2 Se1 2.8570(3) . ?
U2 C48 2.872(3) . ?
N2 C41 1.321(3) . ?
N2 C47 1.468(3) . ?
N1 C41 1.353(3) . ?
N1 C42 1.449(3) . ?
N3 C41 1.369(3) . ?
N3 C44 1.460(4) . ?
N3 C45 1.466(3) . ?
N4 C48 1.357(4) . ?
N4 C55 1.466(4) . ?
N5 C48 1.322(4) . ?
N5 C49 1.460(4) . ?
N6 C48 1.360(4) . ?
N6 C51 1.465(4) . ?
N6 C52 1.466(4) . ?
C1 C2 1.411(4) . ?
C1 C5 1.418(4) . ?
C1 C6 1.513(4) . ?
C2 C3 1.428(4) . ?
C2 C7 1.509(4) . ?
C3 C4 1.418(5) . ?
C3 C8 1.503(4) . ?
C4 C5 1.420(4) . ?
C4 C9 1.499(4) . ?
C5 C10 1.501(4) . ?
C11 C15 1.413(4) . ?
C11 C12 1.433(4) . ?
C11 C16 1.495(4) . ?
C12 C13 1.414(4) . ?
C12 C17 1.502(4) . ?
C13 C14 1.424(4) . ?
C13 C18 1.513(4) . ?
C14 C15 1.404(4) . ?
C14 C19 1.506(4) . ?
C15 C20 1.507(4) . ?
C21 C25 1.412(4) . ?
C21 C22 1.420(4) . ?
C21 C26 1.502(4) . ?
C22 C23 1.412(4) . ?
C22 C27 1.506(4) . ?
C23 C24 1.418(4) . ?
C23 C28 1.524(4) . ?
C24 C25 1.417(4) . ?
C24 C29 1.499(4) . ?
C25 C30 1.492(4) . ?
C31 C35 1.410(4) . ?
C31 C32 1.415(4) . ?
C31 C36 1.512(4) . ?
C32 C33 1.421(4) . ?
C32 C37 1.503(4) . ?
C33 C34 1.420(4) . ?
C33 C38 1.498(4) . ?
C34 C35 1.416(4) . ?
C34 C39 1.517(4) . ?
C35 C40 1.509(4) . ?
C42 C43 1.523(4) . ?
C43 C44 1.509(4) . ?
C45 C46 1.502(4) . ?
C46 C47 1.520(4) . ?
C49 C50 1.527(4) . ?
C50 C51 1.513(4) . ?
C52 C54 1.512(4) . ?
C54 C55 1.510(4) . ?
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
N1 U1 Se1 U2 32.62(7) . . . . ?
N2 U1 Se1 U2 37.58(9) . . . . ?
C5 U1 Se1 U2 -98.31(8) . . . . ?
C12 U1 Se1 U2 122.76(8) . . . . ?
C2 U1 Se1 U2 -50.04(8) . . . . ?
C1 U1 Se1 U2 -71.01(8) . . . . ?
C13 U1 Se1 U2 147.33(9) . . . . ?
C11 U1 Se1 U2 134.80(8) . . . . ?
C15 U1 Se1 U2 164.26(8) . . . . ?
C3 U1 Se1 U2 -63.47(10) . . . . ?
C4 U1 Se1 U2 -97.54(9) . . . . ?
C14 U1 Se1 U2 173.50(8) . . . . ?
C41 U1 Se1 U2 36.58(8) . . . . ?
N4 U2 Se1 U1 20.64(8) . . . . ?
N5 U2 Se1 U1 32.87(10) . . . . ?
C22 U2 Se1 U1 116.17(8) . . . . ?
C35 U2 Se1 U1 -107.25(8) . . . . ?
C21 U2 Se1 U1 127.52(8) . . . . ?
C34 U2 Se1 U1 -105.41(9) . . . . ?
C32 U2 Se1 U1 -58.67(8) . . . . ?
C23 U2 Se1 U1 141.27(8) . . . . ?
C33 U2 Se1 U1 -69.71(9) . . . . ?
C31 U2 Se1 U1 -80.82(8) . . . . ?
C25 U2 Se1 U1 157.18(8) . . . . ?
C24 U2 Se1 U1 166.73(7) . . . . ?
C48 U2 Se1 U1 26.60(8) . . . . ?
N1 U1 N2 C41 3.90(15) . . . . ?
C5 U1 N2 C41 125.19(16) . . . . ?
C12 U1 N2 C41 -100.39(17) . . . . ?
C2 U1 N2 C41 93.16(17) . . . . ?
C1 U1 N2 C41 93.86(17) . . . . ?
C13 U1 N2 C41 -130.71(17) . . . . ?
C11 U1 N2 C41 -89.77(17) . . . . ?
C15 U1 N2 C41 -113.94(16) . . . . ?
C3 U1 N2 C41 121.66(17) . . . . ?
C4 U1 N2 C41 140.30(17) . . . . ?
C14 U1 N2 C41 -139.09(16) . . . . ?
Se1 U1 N2 C41 -2.1(2) . . . . ?
N1 U1 N2 C47 168.0(4) . . . . ?
C5 U1 N2 C47 -70.7(4) . . . . ?
C12 U1 N2 C47 63.8(4) . . . . ?
C2 U1 N2 C47 -102.7(4) . . . . ?
C1 U1 N2 C47 -102.0(4) . . . . ?
C13 U1 N2 C47 33.4(4) . . . . ?
C11 U1 N2 C47 74.4(4) . . . . ?
C15 U1 N2 C47 50.2(4) . . . . ?
C3 U1 N2 C47 -74.2(4) . . . . ?
C4 U1 N2 C47 -55.5(4) . . . . ?
C14 U1 N2 C47 25.1(4) . . . . ?
Se1 U1 N2 C47 162.1(3) . . . . ?
C41 U1 N2 C47 164.1(5) . . . . ?
N2 U1 N1 C41 -3.84(15) . . . . ?
C5 U1 N1 C41 -104.51(17) . . . . ?
C12 U1 N1 C41 65.60(17) . . . . ?
C2 U1 N1 C41 -87.01(17) . . . . ?
C1 U1 N1 C41 -111.01(17) . . . . ?
C13 U1 N1 C41 45.97(18) . . . . ?
C11 U1 N1 C41 94.60(17) . . . . ?
C15 U1 N1 C41 101.11(17) . . . . ?
C3 U1 N1 C41 -62.09(17) . . . . ?
C4 U1 N1 C41 -66.13(19) . . . . ?
C14 U1 N1 C41 64.0(2) . . . . ?
Se1 U1 N1 C41 171.99(16) . . . . ?
N2 U1 N1 C42 173.4(3) . . . . ?
C5 U1 N1 C42 72.7(3) . . . . ?
C12 U1 N1 C42 -117.1(3) . . . . ?
C2 U1 N1 C42 90.2(3) . . . . ?
C1 U1 N1 C42 66.3(3) . . . . ?
C13 U1 N1 C42 -136.8(3) . . . . ?
C11 U1 N1 C42 -88.1(3) . . . . ?
C15 U1 N1 C42 -81.6(3) . . . . ?
C3 U1 N1 C42 115.2(3) . . . . ?
C4 U1 N1 C42 111.1(3) . . . . ?
C14 U1 N1 C42 -118.7(3) . . . . ?
Se1 U1 N1 C42 -10.8(3) . . . . ?
C41 U1 N1 C42 177.3(4) . . . . ?
N5 U2 N4 C48 -1.75(16) . . . . ?
C22 U2 N4 C48 61.91(18) . . . . ?
C35 U2 N4 C48 -104.45(19) . . . . ?
C21 U2 N4 C48 91.28(18) . . . . ?
C34 U2 N4 C48 -67.9(2) . . . . ?
C32 U2 N4 C48 -90.68(18) . . . . ?
C23 U2 N4 C48 41.0(2) . . . . ?
C33 U2 N4 C48 -64.87(18) . . . . ?
C31 U2 N4 C48 -113.21(19) . . . . ?
C25 U2 N4 C48 99.60(19) . . . . ?
C24 U2 N4 C48 58.6(2) . . . . ?
Se1 U2 N4 C48 167.90(18) . . . . ?
N5 U2 N4 C55 174.0(4) . . . . ?
C22 U2 N4 C55 -122.4(3) . . . . ?
C35 U2 N4 C55 71.3(4) . . . . ?
C21 U2 N4 C55 -93.0(3) . . . . ?
C34 U2 N4 C55 107.8(3) . . . . ?
C32 U2 N4 C55 85.0(3) . . . . ?
C23 U2 N4 C55 -143.3(3) . . . . ?
C33 U2 N4 C55 110.9(3) . . . . ?
C31 U2 N4 C55 62.5(3) . . . . ?
C25 U2 N4 C55 -84.7(4) . . . . ?
C24 U2 N4 C55 -125.7(3) . . . . ?
Se1 U2 N4 C55 -16.4(3) . . . . ?
C48 U2 N4 C55 175.7(4) . . . . ?
N4 U2 N5 C48 1.78(17) . . . . ?
C22 U2 N5 C48 -110.29(19) . . . . ?
C35 U2 N5 C48 119.62(18) . . . . ?
C21 U2 N5 C48 -98.83(18) . . . . ?
C34 U2 N5 C48 132.87(18) . . . . ?
C32 U2 N5 C48 84.98(18) . . . . ?
C23 U2 N5 C48 -140.70(19) . . . . ?
C33 U2 N5 C48 112.34(19) . . . . ?
C31 U2 N5 C48 87.68(19) . . . . ?
C25 U2 N5 C48 -122.04(18) . . . . ?
C24 U2 N5 C48 -147.91(18) . . . . ?
Se1 U2 N5 C48 -13.0(2) . . . . ?
N4 U2 N5 C49 171.0(4) . . . . ?
C22 U2 N5 C49 58.9(4) . . . . ?
C35 U2 N5 C49 -71.2(4) . . . . ?
C21 U2 N5 C49 70.4(4) . . . . ?
C34 U2 N5 C49 -57.9(4) . . . . ?
C32 U2 N5 C49 -105.8(4) . . . . ?
C23 U2 N5 C49 28.5(4) . . . . ?
C33 U2 N5 C49 -78.5(4) . . . . ?
C31 U2 N5 C49 -103.1(4) . . . . ?
C25 U2 N5 C49 47.1(4) . . . . ?
C24 U2 N5 C49 21.3(4) . . . . ?
Se1 U2 N5 C49 156.2(3) . . . . ?
C48 U2 N5 C49 169.2(5) . . . . ?
N1 U1 C1 C2 55.65(18) . . . . ?
N2 U1 C1 C2 -1.4(2) . . . . ?
C5 U1 C1 C2 -114.3(3) . . . . ?
C12 U1 C1 C2 -110.8(4) . . . . ?
C13 U1 C1 C2 -93.1(2) . . . . ?
C11 U1 C1 C2 -174.96(17) . . . . ?
C15 U1 C1 C2 -153.54(17) . . . . ?
C3 U1 C1 C2 -37.82(17) . . . . ?
C4 U1 C1 C2 -77.07(19) . . . . ?
C14 U1 C1 C2 -120.82(18) . . . . ?
Se1 U1 C1 C2 134.05(18) . . . . ?
C41 U1 C1 C2 27.9(2) . . . . ?
N1 U1 C1 C5 169.97(17) . . . . ?
N2 U1 C1 C5 112.91(17) . . . . ?
C12 U1 C1 C5 3.5(4) . . . . ?
C2 U1 C1 C5 114.3(3) . . . . ?
C13 U1 C1 C5 21.2(2) . . . . ?
C11 U1 C1 C5 -60.6(2) . . . . ?
C15 U1 C1 C5 -39.2(2) . . . . ?
C3 U1 C1 C5 76.50(19) . . . . ?
C4 U1 C1 C5 37.25(17) . . . . ?
C14 U1 C1 C5 -6.5(2) . . . . ?
Se1 U1 C1 C5 -111.64(17) . . . . ?
C41 U1 C1 C5 142.22(17) . . . . ?
N1 U1 C1 C6 -67.0(3) . . . . ?
N2 U1 C1 C6 -124.1(3) . . . . ?
C5 U1 C1 C6 123.0(3) . . . . ?
C12 U1 C1 C6 126.6(4) . . . . ?
C2 U1 C1 C6 -122.6(3) . . . . ?
C13 U1 C1 C6 144.3(2) . . . . ?
C11 U1 C1 C6 62.4(3) . . . . ?
C15 U1 C1 C6 83.8(3) . . . . ?
C3 U1 C1 C6 -160.5(3) . . . . ?
C4 U1 C1 C6 160.3(3) . . . . ?
C14 U1 C1 C6 116.5(3) . . . . ?
Se1 U1 C1 C6 11.4(2) . . . . ?
C41 U1 C1 C6 -94.7(3) . . . . ?
C5 C1 C2 C3 3.3(3) . . . . ?
C6 C1 C2 C3 -163.9(3) . . . . ?
U1 C1 C2 C3 71.3(2) . . . . ?
C5 C1 C2 C7 176.7(3) . . . . ?
C6 C1 C2 C7 9.5(5) . . . . ?
U1 C1 C2 C7 -115.3(3) . . . . ?
C5 C1 C2 U1 -68.0(2) . . . . ?
C6 C1 C2 U1 124.8(3) . . . . ?
N1 U1 C2 C1 -125.62(18) . . . . ?
N2 U1 C2 C1 178.66(19) . . . . ?
C5 U1 C2 C1 36.69(17) . . . . ?
C12 U1 C2 C1 149.28(19) . . . . ?
C13 U1 C2 C1 115.62(18) . . . . ?
C11 U1 C2 C1 35.2(11) . . . . ?
C15 U1 C2 C1 43.0(3) . . . . ?
C3 U1 C2 C1 111.9(3) . . . . ?
C4 U1 C2 C1 76.07(19) . . . . ?
C14 U1 C2 C1 77.4(2) . . . . ?
Se1 U1 C2 C1 -45.80(18) . . . . ?
C41 U1 C2 C1 -153.73(19) . . . . ?
N1 U1 C2 C3 122.43(18) . . . . ?
N2 U1 C2 C3 66.72(18) . . . . ?
C5 U1 C2 C3 -75.26(19) . . . . ?
C12 U1 C2 C3 37.3(3) . . . . ?
C1 U1 C2 C3 -111.9(3) . . . . ?
C13 U1 C2 C3 3.7(2) . . . . ?
C11 U1 C2 C3 -76.8(10) . . . . ?
C15 U1 C2 C3 -69.0(2) . . . . ?
C4 U1 C2 C3 -35.87(17) . . . . ?
C14 U1 C2 C3 -34.6(2) . . . . ?
Se1 U1 C2 C3 -157.74(16) . . . . ?
C41 U1 C2 C3 94.33(18) . . . . ?
N1 U1 C2 C7 -1.0(2) . . . . ?
N2 U1 C2 C7 -56.7(2) . . . . ?
C5 U1 C2 C7 161.3(3) . . . . ?
C12 U1 C2 C7 -86.1(3) . . . . ?
C1 U1 C2 C7 124.7(3) . . . . ?
C13 U1 C2 C7 -119.7(2) . . . . ?
C11 U1 C2 C7 159.8(9) . . . . ?
C15 U1 C2 C7 167.6(2) . . . . ?
C3 U1 C2 C7 -123.4(3) . . . . ?
C4 U1 C2 C7 -159.3(3) . . . . ?
C14 U1 C2 C7 -158.0(2) . . . . ?
Se1 U1 C2 C7 78.9(2) . . . . ?
C41 U1 C2 C7 -29.1(2) . . . . ?
C1 C2 C3 C4 -2.1(3) . . . . ?
C7 C2 C3 C4 -175.6(3) . . . . ?
U1 C2 C3 C4 67.9(2) . . . . ?
C1 C2 C3 C8 165.0(3) . . . . ?
C7 C2 C3 C8 -8.6(5) . . . . ?
U1 C2 C3 C8 -125.0(3) . . . . ?
C1 C2 C3 U1 -69.99(19) . . . . ?
C7 C2 C3 U1 116.5(3) . . . . ?
N1 U1 C3 C4 -173.52(17) . . . . ?
N2 U1 C3 C4 138.79(19) . . . . ?
C5 U1 C3 C4 -37.06(17) . . . . ?
C12 U1 C3 C4 85.4(2) . . . . ?
C2 U1 C3 C4 -114.9(3) . . . . ?
C1 U1 C3 C4 -77.19(19) . . . . ?
C13 U1 C3 C4 67.91(18) . . . . ?
C11 U1 C3 C4 55.9(3) . . . . ?
C15 U1 C3 C4 23.3(2) . . . . ?
C14 U1 C3 C4 37.99(19) . . . . ?
Se1 U1 C3 C4 -87.18(18) . . . . ?
C41 U1 C3 C4 161.96(18) . . . . ?
N1 U1 C3 C2 -58.60(18) . . . . ?
N2 U1 C3 C2 -106.29(19) . . . . ?
C5 U1 C3 C2 77.86(19) . . . . ?
C12 U1 C3 C2 -159.68(16) . . . . ?
C1 U1 C3 C2 37.73(17) . . . . ?
C13 U1 C3 C2 -177.17(18) . . . . ?
C11 U1 C3 C2 170.83(17) . . . . ?
C15 U1 C3 C2 138.22(17) . . . . ?
C4 U1 C3 C2 114.9(3) . . . . ?
C14 U1 C3 C2 152.90(17) . . . . ?
Se1 U1 C3 C2 27.7(2) . . . . ?
C41 U1 C3 C2 -83.13(18) . . . . ?
N1 U1 C3 C8 63.0(3) . . . . ?
N2 U1 C3 C8 15.3(3) . . . . ?
C5 U1 C3 C8 -160.6(3) . . . . ?
C12 U1 C3 C8 -38.1(3) . . . . ?
C2 U1 C3 C8 121.6(4) . . . . ?
C1 U1 C3 C8 159.3(3) . . . . ?
C13 U1 C3 C8 -55.6(3) . . . . ?
C11 U1 C3 C8 -67.6(4) . . . . ?
C15 U1 C3 C8 -100.2(3) . . . . ?
C4 U1 C3 C8 -123.5(4) . . . . ?
C14 U1 C3 C8 -85.5(3) . . . . ?
Se1 U1 C3 C8 149.3(3) . . . . ?
C41 U1 C3 C8 38.5(3) . . . . ?
C2 C3 C4 C5 0.0(3) . . . . ?
C8 C3 C4 C5 -167.0(3) . . . . ?
U1 C3 C4 C5 66.5(2) . . . . ?
C2 C3 C4 C9 165.2(3) . . . . ?
C8 C3 C4 C9 -1.9(5) . . . . ?
U1 C3 C4 C9 -128.3(3) . . . . ?
C2 C3 C4 U1 -66.5(2) . . . . ?
C8 C3 C4 U1 126.5(3) . . . . ?
N1 U1 C4 C3 8.2(2) . . . . ?
N2 U1 C4 C3 -38.62(18) . . . . ?
C5 U1 C4 C3 113.6(3) . . . . ?
C12 U1 C4 C3 -113.17(18) . . . . ?
C2 U1 C4 C3 36.46(17) . . . . ?
C1 U1 C4 C3 76.05(19) . . . . ?
C13 U1 C4 C3 -114.80(18) . . . . ?
C11 U1 C4 C3 -147.53(17) . . . . ?
C15 U1 C4 C3 -161.64(18) . . . . ?
C14 U1 C4 C3 -142.52(19) . . . . ?
Se1 U1 C4 C3 112.05(17) . . . . ?
C41 U1 C4 C3 -19.8(2) . . . . ?
N1 U1 C4 C5 -105.42(19) . . . . ?
N2 U1 C4 C5 -152.26(19) . . . . ?
C12 U1 C4 C5 133.20(18) . . . . ?
C2 U1 C4 C5 -77.18(19) . . . . ?
C1 U1 C4 C5 -37.58(17) . . . . ?
C13 U1 C4 C5 131.56(19) . . . . ?
C11 U1 C4 C5 98.8(2) . . . . ?
C15 U1 C4 C5 84.7(2) . . . . ?
C3 U1 C4 C5 -113.6(3) . . . . ?
C14 U1 C4 C5 103.85(19) . . . . ?
Se1 U1 C4 C5 -1.6(2) . . . . ?
C41 U1 C4 C5 -133.43(18) . . . . ?
N1 U1 C4 C9 129.1(3) . . . . ?
N2 U1 C4 C9 82.3(3) . . . . ?
C5 U1 C4 C9 -125.5(4) . . . . ?
C12 U1 C4 C9 7.7(3) . . . . ?
C2 U1 C4 C9 157.3(3) . . . . ?
C1 U1 C4 C9 -163.1(3) . . . . ?
C13 U1 C4 C9 6.1(3) . . . . ?
C11 U1 C4 C9 -26.6(3) . . . . ?
C15 U1 C4 C9 -40.7(3) . . . . ?
C3 U1 C4 C9 120.9(4) . . . . ?
C14 U1 C4 C9 -21.6(3) . . . . ?
Se1 U1 C4 C9 -127.1(3) . . . . ?
C41 U1 C4 C9 101.1(3) . . . . ?
C2 C1 C5 C4 -3.3(3) . . . . ?
C6 C1 C5 C4 163.8(3) . . . . ?
U1 C1 C5 C4 -71.7(2) . . . . ?
C2 C1 C5 C10 -174.9(3) . . . . ?
C6 C1 C5 C10 -7.8(5) . . . . ?
U1 C1 C5 C10 116.7(3) . . . . ?
C2 C1 C5 U1 68.4(2) . . . . ?
C6 C1 C5 U1 -124.5(3) . . . . ?
C3 C4 C5 C1 2.0(3) . . . . ?
C9 C4 C5 C1 -162.1(3) . . . . ?
U1 C4 C5 C1 70.3(2) . . . . ?
C3 C4 C5 C10 173.7(3) . . . . ?
C9 C4 C5 C10 9.6(5) . . . . ?
U1 C4 C5 C10 -118.0(3) . . . . ?
C3 C4 C5 U1 -68.3(2) . . . . ?
C9 C4 C5 U1 127.6(3) . . . . ?
N1 U1 C5 C1 -13.0(2) . . . . ?
N2 U1 C5 C1 -80.55(18) . . . . ?
C12 U1 C5 C1 -178.73(16) . . . . ?
C2 U1 C5 C1 -36.41(16) . . . . ?
C13 U1 C5 C1 -164.88(17) . . . . ?
C11 U1 C5 C1 143.43(16) . . . . ?
C15 U1 C5 C1 147.10(17) . . . . ?
C3 U1 C5 C1 -76.06(19) . . . . ?
C4 U1 C5 C1 -112.7(3) . . . . ?
C14 U1 C5 C1 174.23(18) . . . . ?
Se1 U1 C5 C1 65.98(17) . . . . ?
C41 U1 C5 C1 -50.3(2) . . . . ?
N1 U1 C5 C4 99.7(2) . . . . ?
N2 U1 C5 C4 32.1(2) . . . . ?
C12 U1 C5 C4 -66.1(2) . . . . ?
C2 U1 C5 C4 76.2(2) . . . . ?
C1 U1 C5 C4 112.7(3) . . . . ?
C13 U1 C5 C4 -52.2(2) . . . . ?
C11 U1 C5 C4 -103.9(2) . . . . ?
C15 U1 C5 C4 -100.2(2) . . . . ?
C3 U1 C5 C4 36.59(18) . . . . ?
C14 U1 C5 C4 -73.12(19) . . . . ?
Se1 U1 C5 C4 178.63(18) . . . . ?
C41 U1 C5 C4 62.3(2) . . . . ?
N1 U1 C5 C10 -136.5(2) . . . . ?
N2 U1 C5 C10 155.9(2) . . . . ?
C12 U1 C5 C10 57.7(3) . . . . ?
C2 U1 C5 C10 -160.0(3) . . . . ?
C1 U1 C5 C10 -123.6(3) . . . . ?
C13 U1 C5 C10 71.5(2) . . . . ?
C11 U1 C5 C10 19.9(3) . . . . ?
C15 U1 C5 C10 23.5(2) . . . . ?
C3 U1 C5 C10 160.4(3) . . . . ?
C4 U1 C5 C10 123.8(3) . . . . ?
C14 U1 C5 C10 50.7(2) . . . . ?
Se1 U1 C5 C10 -57.6(2) . . . . ?
C41 U1 C5 C10 -173.9(2) . . . . ?
N1 U1 C11 C15 169.50(17) . . . . ?
N2 U1 C11 C15 -134.02(17) . . . . ?
C5 U1 C11 C15 7.5(2) . . . . ?
C12 U1 C11 C15 -113.0(3) . . . . ?
C2 U1 C11 C15 8.9(11) . . . . ?
C1 U1 C11 C15 39.8(3) . . . . ?
C13 U1 C11 C15 -75.71(19) . . . . ?
C3 U1 C11 C15 -59.9(3) . . . . ?
C4 U1 C11 C15 -29.4(2) . . . . ?
C14 U1 C11 C15 -36.09(16) . . . . ?
Se1 U1 C11 C15 90.76(17) . . . . ?
C41 U1 C11 C15 -162.06(17) . . . . ?
N1 U1 C11 C12 -77.50(17) . . . . ?
N2 U1 C11 C12 -21.03(18) . . . . ?
C5 U1 C11 C12 120.50(17) . . . . ?
C2 U1 C11 C12 121.9(10) . . . . ?
C1 U1 C11 C12 152.79(17) . . . . ?
C13 U1 C11 C12 37.28(16) . . . . ?
C15 U1 C11 C12 113.0(3) . . . . ?
C3 U1 C11 C12 53.1(3) . . . . ?
C4 U1 C11 C12 83.56(19) . . . . ?
C14 U1 C11 C12 76.90(18) . . . . ?
Se1 U1 C11 C12 -156.24(17) . . . . ?
C41 U1 C11 C12 -49.06(17) . . . . ?
N1 U1 C11 C16 45.9(3) . . . . ?
N2 U1 C11 C16 102.4(2) . . . . ?
C5 U1 C11 C16 -116.1(2) . . . . ?
C12 U1 C11 C16 123.4(3) . . . . ?
C2 U1 C11 C16 -114.6(10) . . . . ?
C1 U1 C11 C16 -83.8(3) . . . . ?
C13 U1 C11 C16 160.7(3) . . . . ?
C15 U1 C11 C16 -123.6(3) . . . . ?
C3 U1 C11 C16 176.5(2) . . . . ?
C4 U1 C11 C16 -153.0(2) . . . . ?
C14 U1 C11 C16 -159.7(3) . . . . ?
Se1 U1 C11 C16 -32.8(2) . . . . ?
C41 U1 C11 C16 74.4(3) . . . . ?
C15 C11 C12 C13 0.1(3) . . . . ?
C16 C11 C12 C13 172.7(3) . . . . ?
U1 C11 C12 C13 -69.82(19) . . . . ?
C15 C11 C12 C17 -174.8(3) . . . . ?
C16 C11 C12 C17 -2.2(4) . . . . ?
U1 C11 C12 C17 115.3(3) . . . . ?
C15 C11 C12 U1 69.9(2) . . . . ?
C16 C11 C12 U1 -117.5(3) . . . . ?
N1 U1 C12 C13 -141.69(17) . . . . ?
N2 U1 C12 C13 -88.77(17) . . . . ?
C5 U1 C12 C13 27.5(2) . . . . ?
C2 U1 C12 C13 -58.6(3) . . . . ?
C1 U1 C12 C13 25.0(4) . . . . ?
C11 U1 C12 C13 112.5(2) . . . . ?
C15 U1 C12 C13 75.71(18) . . . . ?
C3 U1 C12 C13 -36.9(2) . . . . ?
C4 U1 C12 C13 -3.3(2) . . . . ?
C14 U1 C12 C13 36.96(16) . . . . ?
Se1 U1 C12 C13 136.90(16) . . . . ?
C41 U1 C12 C13 -116.10(18) . . . . ?
N1 U1 C12 C11 105.81(17) . . . . ?
N2 U1 C12 C11 158.73(18) . . . . ?
C5 U1 C12 C11 -85.0(2) . . . . ?
C2 U1 C12 C11 -171.11(18) . . . . ?
C1 U1 C12 C11 -87.5(4) . . . . ?
C13 U1 C12 C11 -112.5(2) . . . . ?
C15 U1 C12 C11 -36.79(16) . . . . ?
C3 U1 C12 C11 -149.40(16) . . . . ?
C4 U1 C12 C11 -115.83(17) . . . . ?
C14 U1 C12 C11 -75.54(18) . . . . ?
Se1 U1 C12 C11 24.40(17) . . . . ?
C41 U1 C12 C11 131.41(17) . . . . ?
N1 U1 C12 C17 -16.8(2) . . . . ?
N2 U1 C12 C17 36.2(2) . . . . ?
C5 U1 C12 C17 152.4(2) . . . . ?
C2 U1 C12 C17 66.3(3) . . . . ?
C1 U1 C12 C17 150.0(3) . . . . ?
C13 U1 C12 C17 124.9(3) . . . . ?
C11 U1 C12 C17 -122.6(3) . . . . ?
C15 U1 C12 C17 -159.4(3) . . . . ?
C3 U1 C12 C17 88.0(2) . . . . ?
C4 U1 C12 C17 121.6(2) . . . . ?
C14 U1 C12 C17 161.9(3) . . . . ?
Se1 U1 C12 C17 -98.2(2) . . . . ?
C41 U1 C12 C17 8.8(2) . . . . ?
C11 C12 C13 C14 -0.8(3) . . . . ?
C17 C12 C13 C14 174.0(3) . . . . ?
U1 C12 C13 C14 -70.6(2) . . . . ?
C11 C12 C13 C18 -169.8(3) . . . . ?
C17 C12 C13 C18 4.9(5) . . . . ?
U1 C12 C13 C18 120.3(3) . . . . ?
C11 C12 C13 U1 69.88(19) . . . . ?
C17 C12 C13 U1 -115.4(3) . . . . ?
N1 U1 C13 C12 43.17(19) . . . . ?
N2 U1 C13 C12 83.48(17) . . . . ?
C5 U1 C13 C12 -160.13(17) . . . . ?
C2 U1 C13 C12 148.58(16) . . . . ?
C1 U1 C13 C12 -171.01(16) . . . . ?
C11 U1 C13 C12 -37.78(16) . . . . ?
C15 U1 C13 C12 -77.14(18) . . . . ?
C3 U1 C13 C12 150.42(17) . . . . ?
C4 U1 C13 C12 177.09(17) . . . . ?
C14 U1 C13 C12 -113.3(2) . . . . ?
Se1 U1 C13 C12 -54.35(19) . . . . ?
C41 U1 C13 C12 62.94(17) . . . . ?
N1 U1 C13 C14 156.49(16) . . . . ?
N2 U1 C13 C14 -163.20(18) . . . . ?
C5 U1 C13 C14 -46.81(18) . . . . ?
C12 U1 C13 C14 113.3(2) . . . . ?
C2 U1 C13 C14 -98.10(19) . . . . ?
C1 U1 C13 C14 -57.7(2) . . . . ?
C11 U1 C13 C14 75.54(18) . . . . ?
C15 U1 C13 C14 36.18(16) . . . . ?
C3 U1 C13 C14 -96.26(18) . . . . ?
C4 U1 C13 C14 -69.59(18) . . . . ?
Se1 U1 C13 C14 58.97(19) . . . . ?
C41 U1 C13 C14 176.26(17) . . . . ?
N1 U1 C13 C18 -80.8(3) . . . . ?
N2 U1 C13 C18 -40.5(2) . . . . ?
C5 U1 C13 C18 75.9(3) . . . . ?
C12 U1 C13 C18 -124.0(3) . . . . ?
C2 U1 C13 C18 24.6(3) . . . . ?
C1 U1 C13 C18 65.0(3) . . . . ?
C11 U1 C13 C18 -161.8(3) . . . . ?
C15 U1 C13 C18 158.9(3) . . . . ?
C3 U1 C13 C18 26.4(3) . . . . ?
C4 U1 C13 C18 53.1(2) . . . . ?
C14 U1 C13 C18 122.7(3) . . . . ?
Se1 U1 C13 C18 -178.3(2) . . . . ?
C41 U1 C13 C18 -61.0(2) . . . . ?
C12 C13 C14 C15 1.2(3) . . . . ?
C18 C13 C14 C15 170.5(3) . . . . ?
U1 C13 C14 C15 -67.9(2) . . . . ?
C12 C13 C14 C19 -164.0(3) . . . . ?
C18 C13 C14 C19 5.4(5) . . . . ?
U1 C13 C14 C19 127.0(3) . . . . ?
C12 C13 C14 U1 69.1(2) . . . . ?
C18 C13 C14 U1 -121.6(3) . . . . ?
N1 U1 C14 C15 79.1(2) . . . . ?
N2 U1 C14 C15 130.88(17) . . . . ?
C5 U1 C14 C15 -109.63(19) . . . . ?
C12 U1 C14 C15 76.94(19) . . . . ?
C2 U1 C14 C15 -139.02(17) . . . . ?
C1 U1 C14 C15 -106.42(18) . . . . ?
C13 U1 C14 C15 114.0(3) . . . . ?
C11 U1 C14 C15 36.62(17) . . . . ?
C3 U1 C14 C15 -155.66(17) . . . . ?
C4 U1 C14 C15 -138.04(19) . . . . ?
Se1 U1 C14 C15 -19.29(18) . . . . ?
C41 U1 C14 C15 109.56(18) . . . . ?
N1 U1 C14 C13 -35.0(2) . . . . ?
N2 U1 C14 C13 16.83(18) . . . . ?
C5 U1 C14 C13 136.32(18) . . . . ?
C12 U1 C14 C13 -37.11(16) . . . . ?
C2 U1 C14 C13 106.93(18) . . . . ?
C1 U1 C14 C13 139.53(17) . . . . ?
C11 U1 C14 C13 -77.43(19) . . . . ?
C15 U1 C14 C13 -114.0(3) . . . . ?
C3 U1 C14 C13 90.29(18) . . . . ?
C4 U1 C14 C13 107.91(18) . . . . ?
Se1 U1 C14 C13 -133.34(16) . . . . ?
C41 U1 C14 C13 -4.5(2) . . . . ?
N1 U1 C14 C19 -159.3(2) . . . . ?
N2 U1 C14 C19 -107.5(3) . . . . ?
C5 U1 C14 C19 12.0(3) . . . . ?
C12 U1 C14 C19 -161.4(3) . . . . ?
C2 U1 C14 C19 -17.4(3) . . . . ?
C1 U1 C14 C19 15.2(3) . . . . ?
C13 U1 C14 C19 -124.3(3) . . . . ?
C11 U1 C14 C19 158.3(3) . . . . ?
C15 U1 C14 C19 121.7(3) . . . . ?
C3 U1 C14 C19 -34.0(3) . . . . ?
C4 U1 C14 C19 -16.4(3) . . . . ?
Se1 U1 C14 C19 102.4(3) . . . . ?
C41 U1 C14 C19 -128.8(2) . . . . ?
C13 C14 C15 C11 -1.1(3) . . . . ?
C19 C14 C15 C11 164.6(3) . . . . ?
U1 C14 C15 C11 -68.0(2) . . . . ?
C13 C14 C15 C20 -170.2(3) . . . . ?
C19 C14 C15 C20 -4.6(5) . . . . ?
U1 C14 C15 C20 122.9(3) . . . . ?
C13 C14 C15 U1 66.9(2) . . . . ?
C19 C14 C15 U1 -127.4(3) . . . . ?
C12 C11 C15 C14 0.7(3) . . . . ?
C16 C11 C15 C14 -172.0(3) . . . . ?
U1 C11 C15 C14 69.2(2) . . . . ?
C12 C11 C15 C20 169.6(3) . . . . ?
C16 C11 C15 C20 -3.1(5) . . . . ?
U1 C11 C15 C20 -121.9(3) . . . . ?
C12 C11 C15 U1 -68.50(19) . . . . ?
C16 C11 C15 U1 118.8(3) . . . . ?
N1 U1 C15 C14 -127.67(17) . . . . ?
N2 U1 C15 C14 -59.1(2) . . . . ?
C5 U1 C15 C14 71.69(19) . . . . ?
C12 U1 C15 C14 -76.73(18) . . . . ?
C2 U1 C15 C14 66.9(2) . . . . ?
C1 U1 C15 C14 90.04(19) . . . . ?
C13 U1 C15 C14 -36.94(17) . . . . ?
C11 U1 C15 C14 -114.4(3) . . . . ?
C3 U1 C15 C14 31.0(2) . . . . ?
C4 U1 C15 C14 42.23(19) . . . . ?
Se1 U1 C15 C14 161.48(17) . . . . ?
C41 U1 C15 C14 -91.69(19) . . . . ?
N1 U1 C15 C11 -13.3(2) . . . . ?
N2 U1 C15 C11 55.3(2) . . . . ?
C5 U1 C15 C11 -173.91(18) . . . . ?
C12 U1 C15 C11 37.67(17) . . . . ?
C2 U1 C15 C11 -178.66(17) . . . . ?
C1 U1 C15 C11 -155.56(16) . . . . ?
C13 U1 C15 C11 77.46(19) . . . . ?
C3 U1 C15 C11 145.35(17) . . . . ?
C4 U1 C15 C11 156.63(18) . . . . ?
C14 U1 C15 C11 114.4(3) . . . . ?
Se1 U1 C15 C11 -84.12(17) . . . . ?
C41 U1 C15 C11 22.7(2) . . . . ?
N1 U1 C15 C20 109.6(2) . . . . ?
N2 U1 C15 C20 178.1(2) . . . . ?
C5 U1 C15 C20 -51.1(2) . . . . ?
C12 U1 C15 C20 160.5(3) . . . . ?
C2 U1 C15 C20 -55.8(3) . . . . ?
C1 U1 C15 C20 -32.7(3) . . . . ?
C13 U1 C15 C20 -159.7(3) . . . . ?
C11 U1 C15 C20 122.8(3) . . . . ?
C3 U1 C15 C20 -91.8(3) . . . . ?
C4 U1 C15 C20 -80.5(3) . . . . ?
C14 U1 C15 C20 -122.8(3) . . . . ?
Se1 U1 C15 C20 38.7(2) . . . . ?
C41 U1 C15 C20 145.5(2) . . . . ?
N4 U2 C21 C25 167.50(15) . . . . ?
N5 U2 C21 C25 -135.89(15) . . . . ?
C22 U2 C21 C25 -113.3(2) . . . . ?
C35 U2 C21 C25 2.67(19) . . . . ?
C34 U2 C21 C25 -33.9(2) . . . . ?
C32 U2 C21 C25 6.0(8) . . . . ?
C23 U2 C21 C25 -75.99(16) . . . . ?
C33 U2 C21 C25 -63.8(2) . . . . ?
C31 U2 C21 C25 33.5(2) . . . . ?
C24 U2 C21 C25 -36.67(15) . . . . ?
Se1 U2 C21 C25 89.12(15) . . . . ?
C48 U2 C21 C25 -163.74(15) . . . . ?
N4 U2 C21 C22 -79.24(17) . . . . ?
N5 U2 C21 C22 -22.63(17) . . . . ?
C35 U2 C21 C22 115.92(17) . . . . ?
C34 U2 C21 C22 79.36(19) . . . . ?
C32 U2 C21 C22 119.2(7) . . . . ?
C23 U2 C21 C22 37.27(15) . . . . ?
C33 U2 C21 C22 49.5(2) . . . . ?
C31 U2 C21 C22 146.78(17) . . . . ?
C25 U2 C21 C22 113.3(2) . . . . ?
C24 U2 C21 C22 76.59(17) . . . . ?
Se1 U2 C21 C22 -157.62(16) . . . . ?
C48 U2 C21 C22 -50.48(17) . . . . ?
N4 U2 C21 C26 42.5(2) . . . . ?
N5 U2 C21 C26 99.1(2) . . . . ?
C22 U2 C21 C26 121.7(3) . . . . ?
C35 U2 C21 C26 -122.4(2) . . . . ?
C34 U2 C21 C26 -158.9(2) . . . . ?
C32 U2 C21 C26 -119.1(7) . . . . ?
C23 U2 C21 C26 159.0(3) . . . . ?
C33 U2 C21 C26 171.2(2) . . . . ?
C31 U2 C21 C26 -91.5(3) . . . . ?
C25 U2 C21 C26 -125.0(3) . . . . ?
C24 U2 C21 C26 -161.7(3) . . . . ?
Se1 U2 C21 C26 -35.9(2) . . . . ?
C48 U2 C21 C26 71.2(2) . . . . ?
C25 C21 C22 C23 -0.3(3) . . . . ?
C26 C21 C22 C23 170.7(3) . . . . ?
U2 C21 C22 C23 -70.51(19) . . . . ?
C25 C21 C22 C27 -172.9(3) . . . . ?
C26 C21 C22 C27 -2.0(4) . . . . ?
U2 C21 C22 C27 116.8(3) . . . . ?
C25 C21 C22 U2 70.25(19) . . . . ?
C26 C21 C22 U2 -118.8(3) . . . . ?
N4 U2 C22 C23 -140.74(16) . . . . ?
N5 U2 C22 C23 -90.58(17) . . . . ?
C35 U2 C22 C23 24.6(2) . . . . ?
C21 U2 C22 C23 112.6(2) . . . . ?
C34 U2 C22 C23 -5.69(19) . . . . ?
C32 U2 C22 C23 -55.5(3) . . . . ?
C33 U2 C22 C23 -38.6(2) . . . . ?
C31 U2 C22 C23 23.6(4) . . . . ?
C25 U2 C22 C23 75.87(17) . . . . ?
C24 U2 C22 C23 36.77(15) . . . . ?
Se1 U2 C22 C23 135.66(15) . . . . ?
C48 U2 C22 C23 -116.24(17) . . . . ?
N4 U2 C22 C21 106.61(17) . . . . ?
N5 U2 C22 C21 156.77(18) . . . . ?
C35 U2 C22 C21 -88.04(19) . . . . ?
C34 U2 C22 C21 -118.34(17) . . . . ?
C32 U2 C22 C21 -168.19(17) . . . . ?
C23 U2 C22 C21 -112.6(2) . . . . ?
C33 U2 C22 C21 -151.27(15) . . . . ?
C31 U2 C22 C21 -89.1(3) . . . . ?
C25 U2 C22 C21 -36.78(15) . . . . ?
C24 U2 C22 C21 -75.88(17) . . . . ?
Se1 U2 C22 C21 23.02(17) . . . . ?
C48 U2 C22 C21 131.11(17) . . . . ?
N4 U2 C22 C27 -14.3(2) . . . . ?
N5 U2 C22 C27 35.9(2) . . . . ?
C35 U2 C22 C27 151.1(2) . . . . ?
C21 U2 C22 C27 -120.9(3) . . . . ?
C34 U2 C22 C27 120.8(2) . . . . ?
C32 U2 C22 C27 70.9(3) . . . . ?
C23 U2 C22 C27 126.5(3) . . . . ?
C33 U2 C22 C27 87.8(2) . . . . ?
C31 U2 C22 C27 150.1(3) . . . . ?
C25 U2 C22 C27 -157.7(3) . . . . ?
C24 U2 C22 C27 163.2(3) . . . . ?
Se1 U2 C22 C27 -97.9(2) . . . . ?
C48 U2 C22 C27 10.2(2) . . . . ?
C21 C22 C23 C24 -0.8(3) . . . . ?
C27 C22 C23 C24 171.4(3) . . . . ?
U2 C22 C23 C24 -70.9(2) . . . . ?
C21 C22 C23 C28 -169.0(3) . . . . ?
C27 C22 C23 C28 3.3(5) . . . . ?
U2 C22 C23 C28 121.0(3) . . . . ?
C21 C22 C23 U2 70.03(19) . . . . ?
C27 C22 C23 U2 -117.7(3) . . . . ?
N4 U2 C23 C22 46.11(19) . . . . ?
N5 U2 C23 C22 81.19(17) . . . . ?
C35 U2 C23 C22 -161.50(16) . . . . ?
C21 U2 C23 C22 -37.62(16) . . . . ?
C34 U2 C23 C22 174.90(17) . . . . ?
C32 U2 C23 C22 150.38(16) . . . . ?
C33 U2 C23 C22 148.76(16) . . . . ?
C31 U2 C23 C22 -170.12(15) . . . . ?
C25 U2 C23 C22 -77.09(18) . . . . ?
C24 U2 C23 C22 -113.3(2) . . . . ?
Se1 U2 C23 C22 -55.81(18) . . . . ?
C48 U2 C23 C22 64.13(17) . . . . ?
N4 U2 C23 C24 159.44(15) . . . . ?
N5 U2 C23 C24 -165.48(17) . . . . ?
C22 U2 C23 C24 113.3(2) . . . . ?
C35 U2 C23 C24 -48.17(17) . . . . ?
C21 U2 C23 C24 75.70(17) . . . . ?
C34 U2 C23 C24 -71.77(16) . . . . ?
C32 U2 C23 C24 -96.29(17) . . . . ?
C33 U2 C23 C24 -97.92(16) . . . . ?
C31 U2 C23 C24 -56.8(2) . . . . ?
C25 U2 C23 C24 36.24(15) . . . . ?
Se1 U2 C23 C24 57.51(17) . . . . ?
C48 U2 C23 C24 177.46(16) . . . . ?
N4 U2 C23 C28 -76.7(2) . . . . ?
N5 U2 C23 C28 -41.6(2) . . . . ?
C22 U2 C23 C28 -122.8(3) . . . . ?
C35 U2 C23 C28 75.7(2) . . . . ?
C21 U2 C23 C28 -160.4(3) . . . . ?
C34 U2 C23 C28 52.1(2) . . . . ?
C32 U2 C23 C28 27.6(3) . . . . ?
C33 U2 C23 C28 26.0(2) . . . . ?
C31 U2 C23 C28 67.1(3) . . . . ?
C25 U2 C23 C28 160.1(3) . . . . ?
C24 U2 C23 C28 123.9(3) . . . . ?
Se1 U2 C23 C28 -178.58(19) . . . . ?
C48 U2 C23 C28 -58.6(2) . . . . ?
C22 C23 C24 C25 1.6(3) . . . . ?
C28 C23 C24 C25 169.9(3) . . . . ?
U2 C23 C24 C25 -66.84(19) . . . . ?
C22 C23 C24 C29 -162.7(3) . . . . ?
C28 C23 C24 C29 5.6(5) . . . . ?
U2 C23 C24 C29 128.9(3) . . . . ?
C22 C23 C24 U2 68.42(19) . . . . ?
C28 C23 C24 U2 -123.3(3) . . . . ?
N4 U2 C24 C25 81.7(2) . . . . ?
N5 U2 C24 C25 129.04(16) . . . . ?
C22 U2 C24 C25 77.28(17) . . . . ?
C35 U2 C24 C25 -111.66(17) . . . . ?
C21 U2 C24 C25 37.02(16) . . . . ?
C34 U2 C24 C25 -140.72(17) . . . . ?
C32 U2 C24 C25 -137.74(16) . . . . ?
C23 U2 C24 C25 114.5(2) . . . . ?
C33 U2 C24 C25 -156.97(16) . . . . ?
C31 U2 C24 C25 -107.17(17) . . . . ?
Se1 U2 C24 C25 -19.76(17) . . . . ?
C48 U2 C24 C25 111.39(17) . . . . ?
N4 U2 C24 C23 -32.9(2) . . . . ?
N5 U2 C24 C23 14.51(17) . . . . ?
C22 U2 C24 C23 -37.24(15) . . . . ?
C35 U2 C24 C23 133.81(17) . . . . ?
C21 U2 C24 C23 -77.50(17) . . . . ?
C34 U2 C24 C23 104.76(17) . . . . ?
C32 U2 C24 C23 107.73(17) . . . . ?
C33 U2 C24 C23 88.50(16) . . . . ?
C31 U2 C24 C23 138.30(16) . . . . ?
C25 U2 C24 C23 -114.5(2) . . . . ?
Se1 U2 C24 C23 -134.29(15) . . . . ?
C48 U2 C24 C23 -3.1(2) . . . . ?
N4 U2 C24 C29 -157.8(2) . . . . ?
N5 U2 C24 C29 -110.4(3) . . . . ?
C22 U2 C24 C29 -162.2(3) . . . . ?
C35 U2 C24 C29 8.9(3) . . . . ?
C21 U2 C24 C29 157.6(3) . . . . ?
C34 U2 C24 C29 -20.2(3) . . . . ?
C32 U2 C24 C29 -17.2(3) . . . . ?
C23 U2 C24 C29 -124.9(3) . . . . ?
C33 U2 C24 C29 -36.4(3) . . . . ?
C31 U2 C24 C29 13.4(3) . . . . ?
C25 U2 C24 C29 120.5(3) . . . . ?
Se1 U2 C24 C29 100.8(3) . . . . ?
C48 U2 C24 C29 -128.1(3) . . . . ?
C22 C21 C25 C24 1.2(3) . . . . ?
C26 C21 C25 C24 -169.5(3) . . . . ?
U2 C21 C25 C24 69.86(19) . . . . ?
C22 C21 C25 C30 170.7(3) . . . . ?
C26 C21 C25 C30 -0.1(4) . . . . ?
U2 C21 C25 C30 -120.7(3) . . . . ?
C22 C21 C25 U2 -68.63(19) . . . . ?
C26 C21 C25 U2 120.6(3) . . . . ?
C23 C24 C25 C21 -1.7(3) . . . . ?
C29 C24 C25 C21 163.3(3) . . . . ?
U2 C24 C25 C21 -67.91(18) . . . . ?
C23 C24 C25 C30 -171.4(3) . . . . ?
C29 C24 C25 C30 -6.3(4) . . . . ?
U2 C24 C25 C30 122.5(3) . . . . ?
C23 C24 C25 U2 66.18(19) . . . . ?
C29 C24 C25 U2 -128.8(3) . . . . ?
N4 U2 C25 C21 -16.7(2) . . . . ?
N5 U2 C25 C21 52.53(18) . . . . ?
C22 U2 C25 C21 37.41(15) . . . . ?
C35 U2 C25 C21 -177.81(16) . . . . ?
C34 U2 C25 C21 152.88(16) . . . . ?
C32 U2 C25 C21 -178.90(16) . . . . ?
C23 U2 C25 C21 77.16(17) . . . . ?
C33 U2 C25 C21 143.11(16) . . . . ?
C31 U2 C25 C21 -158.95(15) . . . . ?
C24 U2 C25 C21 113.6(2) . . . . ?
Se1 U2 C25 C21 -85.53(15) . . . . ?
C48 U2 C25 C21 21.3(2) . . . . ?
N4 U2 C25 C24 -130.22(16) . . . . ?
N5 U2 C25 C24 -61.02(18) . . . . ?
C22 U2 C25 C24 -76.14(17) . . . . ?
C35 U2 C25 C24 68.64(17) . . . . ?
C21 U2 C25 C24 -113.6(2) . . . . ?
C34 U2 C25 C24 39.32(17) . . . . ?
C32 U2 C25 C24 67.6(2) . . . . ?
C23 U2 C25 C24 -36.39(15) . . . . ?
C33 U2 C25 C24 29.6(2) . . . . ?
C31 U2 C25 C24 87.49(17) . . . . ?
Se1 U2 C25 C24 160.92(16) . . . . ?
C48 U2 C25 C24 -92.29(18) . . . . ?
N4 U2 C25 C30 106.6(2) . . . . ?
N5 U2 C25 C30 175.8(2) . . . . ?
C22 U2 C25 C30 160.6(3) . . . . ?
C35 U2 C25 C30 -54.6(2) . . . . ?
C21 U2 C25 C30 123.2(3) . . . . ?
C34 U2 C25 C30 -83.9(2) . . . . ?
C32 U2 C25 C30 -55.7(3) . . . . ?
C23 U2 C25 C30 -159.6(3) . . . . ?
C33 U2 C25 C30 -93.7(2) . . . . ?
C31 U2 C25 C30 -35.7(3) . . . . ?
C24 U2 C25 C30 -123.2(3) . . . . ?
Se1 U2 C25 C30 37.7(2) . . . . ?
C48 U2 C25 C30 144.5(2) . . . . ?
N4 U2 C31 C35 165.77(18) . . . . ?
N5 U2 C31 C35 109.54(17) . . . . ?
C22 U2 C31 C35 1.5(4) . . . . ?
C21 U2 C31 C35 -59.1(2) . . . . ?
C34 U2 C31 C35 37.51(17) . . . . ?
C32 U2 C31 C35 115.0(3) . . . . ?
C23 U2 C31 C35 17.2(2) . . . . ?
C33 U2 C31 C35 77.41(19) . . . . ?
C25 U2 C31 C35 -41.2(2) . . . . ?
C24 U2 C31 C35 -9.2(2) . . . . ?
Se1 U2 C31 C35 -114.43(17) . . . . ?
C48 U2 C31 C35 138.65(17) . . . . ?
N4 U2 C31 C32 50.73(17) . . . . ?
N5 U2 C31 C32 -5.50(19) . . . . ?
C22 U2 C31 C32 -113.5(3) . . . . ?
C35 U2 C31 C32 -115.0(3) . . . . ?
C21 U2 C31 C32 -174.18(15) . . . . ?
C34 U2 C31 C32 -77.53(18) . . . . ?
C23 U2 C31 C32 -97.80(18) . . . . ?
C33 U2 C31 C32 -37.63(16) . . . . ?
C25 U2 C31 C32 -156.21(16) . . . . ?
C24 U2 C31 C32 -124.23(17) . . . . ?
Se1 U2 C31 C32 130.53(17) . . . . ?
C48 U2 C31 C32 23.61(19) . . . . ?
N4 U2 C31 C36 -71.2(2) . . . . ?
N5 U2 C31 C36 -127.4(2) . . . . ?
C22 U2 C31 C36 124.5(3) . . . . ?
C35 U2 C31 C36 123.0(3) . . . . ?
C21 U2 C31 C36 63.9(3) . . . . ?
C34 U2 C31 C36 160.5(3) . . . . ?
C32 U2 C31 C36 -121.9(3) . . . . ?
C23 U2 C31 C36 140.3(2) . . . . ?
C33 U2 C31 C36 -159.6(3) . . . . ?
C25 U2 C31 C36 81.8(2) . . . . ?
C24 U2 C31 C36 113.8(2) . . . . ?
Se1 U2 C31 C36 8.6(2) . . . . ?
C48 U2 C31 C36 -98.3(2) . . . . ?
C35 C31 C32 C33 2.8(3) . . . . ?
C36 C31 C32 C33 -166.0(3) . . . . ?
U2 C31 C32 C33 69.8(2) . . . . ?
C35 C31 C32 C37 175.1(3) . . . . ?
C36 C31 C32 C37 6.3(5) . . . . ?
U2 C31 C32 C37 -118.0(3) . . . . ?
C35 C31 C32 U2 -67.0(2) . . . . ?
C36 C31 C32 U2 124.2(3) . . . . ?
N4 U2 C32 C31 -129.44(17) . . . . ?
N5 U2 C32 C31 174.91(18) . . . . ?
C22 U2 C32 C31 141.32(19) . . . . ?
C35 U2 C32 C31 36.09(16) . . . . ?
C21 U2 C32 C31 32.5(8) . . . . ?
C34 U2 C32 C31 75.67(18) . . . . ?
C23 U2 C32 C31 109.20(18) . . . . ?
C33 U2 C32 C31 112.4(2) . . . . ?
C25 U2 C32 C31 37.5(2) . . . . ?
C24 U2 C32 C31 71.78(19) . . . . ?
Se1 U2 C32 C31 -49.56(17) . . . . ?
C48 U2 C32 C31 -157.59(18) . . . . ?
N4 U2 C32 C33 118.11(18) . . . . ?
N5 U2 C32 C33 62.47(17) . . . . ?
C22 U2 C32 C33 28.9(3) . . . . ?
C35 U2 C32 C33 -76.36(18) . . . . ?
C21 U2 C32 C33 -79.9(8) . . . . ?
C34 U2 C32 C33 -36.77(17) . . . . ?
C23 U2 C32 C33 -3.2(2) . . . . ?
C31 U2 C32 C33 -112.4(2) . . . . ?
C25 U2 C32 C33 -74.9(2) . . . . ?
C24 U2 C32 C33 -40.7(2) . . . . ?
Se1 U2 C32 C33 -162.01(16) . . . . ?
C48 U2 C32 C33 89.96(18) . . . . ?
N4 U2 C32 C37 -4.2(2) . . . . ?
N5 U2 C32 C37 -59.9(2) . . . . ?
C22 U2 C32 C37 -93.5(3) . . . . ?
C35 U2 C32 C37 161.3(3) . . . . ?
C21 U2 C32 C37 157.7(7) . . . . ?
C34 U2 C32 C37 -159.1(3) . . . . ?
C23 U2 C32 C37 -125.6(2) . . . . ?
C33 U2 C32 C37 -122.4(3) . . . . ?
C31 U2 C32 C37 125.2(3) . . . . ?
C25 U2 C32 C37 162.73(18) . . . . ?
C24 U2 C32 C37 -163.02(19) . . . . ?
Se1 U2 C32 C37 75.6(2) . . . . ?
C48 U2 C32 C37 -32.4(2) . . . . ?
C31 C32 C33 C34 -1.9(3) . . . . ?
C37 C32 C33 C34 -174.4(3) . . . . ?
U2 C32 C33 C34 68.2(2) . . . . ?
C31 C32 C33 C38 166.5(3) . . . . ?
C37 C32 C33 C38 -6.0(5) . . . . ?
U2 C32 C33 C38 -123.4(3) . . . . ?
C31 C32 C33 U2 -70.1(2) . . . . ?
C37 C32 C33 U2 117.4(3) . . . . ?
N4 U2 C33 C34 -174.90(18) . . . . ?
N5 U2 C33 C34 134.54(19) . . . . ?
C22 U2 C33 C34 81.8(2) . . . . ?
C35 U2 C33 C34 -37.01(17) . . . . ?
C21 U2 C33 C34 54.3(3) . . . . ?
C32 U2 C33 C34 -113.9(3) . . . . ?
C23 U2 C33 C34 63.62(19) . . . . ?
C31 U2 C33 C34 -76.49(19) . . . . ?
C25 U2 C33 C34 19.8(2) . . . . ?
C24 U2 C33 C34 33.98(19) . . . . ?
Se1 U2 C33 C34 -91.28(18) . . . . ?
C48 U2 C33 C34 159.86(19) . . . . ?
N4 U2 C33 C32 -61.04(18) . . . . ?
N5 U2 C33 C32 -111.60(18) . . . . ?
C22 U2 C33 C32 -164.33(16) . . . . ?
C35 U2 C33 C32 76.86(18) . . . . ?
C21 U2 C33 C32 168.21(16) . . . . ?
C34 U2 C33 C32 113.9(3) . . . . ?
C23 U2 C33 C32 177.48(16) . . . . ?
C31 U2 C33 C32 37.37(16) . . . . ?
C25 U2 C33 C32 133.64(16) . . . . ?
C24 U2 C33 C32 147.84(17) . . . . ?
Se1 U2 C33 C32 22.6(2) . . . . ?
C48 U2 C33 C32 -86.28(17) . . . . ?
N4 U2 C33 C38 62.0(3) . . . . ?
N5 U2 C33 C38 11.4(2) . . . . ?
C22 U2 C33 C38 -41.3(3) . . . . ?
C35 U2 C33 C38 -160.1(3) . . . . ?
C21 U2 C33 C38 -68.8(3) . . . . ?
C34 U2 C33 C38 -123.1(3) . . . . ?
C32 U2 C33 C38 123.0(3) . . . . ?
C23 U2 C33 C38 -59.5(3) . . . . ?
C31 U2 C33 C38 160.4(3) . . . . ?
C25 U2 C33 C38 -103.3(3) . . . . ?
C24 U2 C33 C38 -89.1(3) . . . . ?
Se1 U2 C33 C38 145.6(2) . . . . ?
C48 U2 C33 C38 36.8(3) . . . . ?
C32 C33 C34 C35 0.4(3) . . . . ?
C38 C33 C34 C35 -168.1(3) . . . . ?
U2 C33 C34 C35 68.6(2) . . . . ?
C32 C33 C34 C39 168.3(3) . . . . ?
C38 C33 C34 C39 -0.1(5) . . . . ?
U2 C33 C34 C39 -123.5(3) . . . . ?
C32 C33 C34 U2 -68.2(2) . . . . ?
C38 C33 C34 U2 123.4(3) . . . . ?
N4 U2 C34 C35 -107.30(18) . . . . ?
N5 U2 C34 C35 -156.08(17) . . . . ?
C22 U2 C34 C35 131.01(17) . . . . ?
C21 U2 C34 C35 98.08(18) . . . . ?
C32 U2 C34 C35 -76.68(18) . . . . ?
C23 U2 C34 C35 128.22(18) . . . . ?
C33 U2 C34 C35 -113.5(3) . . . . ?
C31 U2 C34 C35 -37.20(17) . . . . ?
C25 U2 C34 C35 81.97(18) . . . . ?
C24 U2 C34 C35 100.18(18) . . . . ?
Se1 U2 C34 C35 -3.8(2) . . . . ?
C48 U2 C34 C35 -134.95(17) . . . . ?
N4 U2 C34 C33 6.2(2) . . . . ?
N5 U2 C34 C33 -42.61(18) . . . . ?
C22 U2 C34 C33 -115.52(18) . . . . ?
C35 U2 C34 C33 113.5(3) . . . . ?
C21 U2 C34 C33 -148.45(17) . . . . ?
C32 U2 C34 C33 36.79(16) . . . . ?
C23 U2 C34 C33 -118.31(18) . . . . ?
C31 U2 C34 C33 76.27(19) . . . . ?
C25 U2 C34 C33 -164.56(17) . . . . ?
C24 U2 C34 C33 -146.35(19) . . . . ?
Se1 U2 C34 C33 109.72(17) . . . . ?
C48 U2 C34 C33 -21.5(2) . . . . ?
N4 U2 C34 C39 127.0(3) . . . . ?
N5 U2 C34 C39 78.3(3) . . . . ?
C22 U2 C34 C39 5.3(3) . . . . ?
C35 U2 C34 C39 -125.7(3) . . . . ?
C21 U2 C34 C39 -27.6(3) . . . . ?
C32 U2 C34 C39 157.7(3) . . . . ?
C23 U2 C34 C39 2.5(3) . . . . ?
C33 U2 C34 C39 120.9(4) . . . . ?
C31 U2 C34 C39 -162.9(3) . . . . ?
C25 U2 C34 C39 -43.7(3) . . . . ?
C24 U2 C34 C39 -25.5(3) . . . . ?
Se1 U2 C34 C39 -129.4(2) . . . . ?
C48 U2 C34 C39 99.4(3) . . . . ?
C32 C31 C35 C34 -2.6(3) . . . . ?
C36 C31 C35 C34 166.0(3) . . . . ?
U2 C31 C35 C34 -69.9(2) . . . . ?
C32 C31 C35 C40 -176.1(3) . . . . ?
C36 C31 C35 C40 -7.5(5) . . . . ?
U2 C31 C35 C40 116.6(3) . . . . ?
C32 C31 C35 U2 67.3(2) . . . . ?
C36 C31 C35 U2 -124.1(3) . . . . ?
C33 C34 C35 C31 1.4(3) . . . . ?
C39 C34 C35 C31 -165.9(3) . . . . ?
U2 C34 C35 C31 70.5(2) . . . . ?
C33 C34 C35 C40 174.7(3) . . . . ?
C39 C34 C35 C40 7.5(5) . . . . ?
U2 C34 C35 C40 -116.1(3) . . . . ?
C33 C34 C35 U2 -69.1(2) . . . . ?
C39 C34 C35 U2 123.6(3) . . . . ?
N4 U2 C35 C31 -17.9(2) . . . . ?
N5 U2 C35 C31 -84.97(18) . . . . ?
C22 U2 C35 C31 -179.35(16) . . . . ?
C21 U2 C35 C31 143.40(16) . . . . ?
C34 U2 C35 C31 -112.7(3) . . . . ?
C32 U2 C35 C31 -36.13(16) . . . . ?
C23 U2 C35 C31 -167.12(17) . . . . ?
C33 U2 C35 C31 -75.74(18) . . . . ?
C25 U2 C35 C31 144.70(17) . . . . ?
C24 U2 C35 C31 171.58(18) . . . . ?
Se1 U2 C35 C31 64.12(17) . . . . ?
C48 U2 C35 C31 -53.8(2) . . . . ?
N4 U2 C35 C34 94.82(19) . . . . ?
N5 U2 C35 C34 27.7(2) . . . . ?
C22 U2 C35 C34 -66.6(2) . . . . ?
C21 U2 C35 C34 -103.89(18) . . . . ?
C32 U2 C35 C34 76.58(19) . . . . ?
C23 U2 C35 C34 -54.41(19) . . . . ?
C33 U2 C35 C34 36.98(17) . . . . ?
C31 U2 C35 C34 112.7(3) . . . . ?
C25 U2 C35 C34 -102.58(18) . . . . ?
C24 U2 C35 C34 -75.70(18) . . . . ?
Se1 U2 C35 C34 176.84(17) . . . . ?
C48 U2 C35 C34 58.9(2) . . . . ?
N4 U2 C35 C40 -140.9(2) . . . . ?
N5 U2 C35 C40 152.0(2) . . . . ?
C22 U2 C35 C40 57.6(3) . . . . ?
C21 U2 C35 C40 20.4(3) . . . . ?
C34 U2 C35 C40 124.2(3) . . . . ?
C32 U2 C35 C40 -159.2(3) . . . . ?
C23 U2 C35 C40 69.8(2) . . . . ?
C33 U2 C35 C40 161.2(3) . . . . ?
C31 U2 C35 C40 -123.0(3) . . . . ?
C25 U2 C35 C40 21.7(2) . . . . ?
C24 U2 C35 C40 48.5(2) . . . . ?
Se1 U2 C35 C40 -58.9(2) . . . . ?
C48 U2 C35 C40 -176.9(2) . . . . ?
C47 N2 C41 N1 -177.2(2) . . . . ?
U1 N2 C41 N1 -6.1(2) . . . . ?
C47 N2 C41 N3 1.9(4) . . . . ?
U1 N2 C41 N3 173.1(2) . . . . ?
C47 N2 C41 U1 -171.2(3) . . . . ?
C42 N1 C41 N2 -171.8(2) . . . . ?
U1 N1 C41 N2 6.4(2) . . . . ?
C42 N1 C41 N3 9.0(4) . . . . ?
U1 N1 C41 N3 -172.8(2) . . . . ?
C42 N1 C41 U1 -178.3(3) . . . . ?
C44 N3 C41 N2 -168.7(3) . . . . ?
C45 N3 C41 N2 11.6(4) . . . . ?
C44 N3 C41 N1 10.4(4) . . . . ?
C45 N3 C41 N1 -169.3(3) . . . . ?
C44 N3 C41 U1 -44.2(17) . . . . ?
C45 N3 C41 U1 136.1(15) . . . . ?
N1 U1 C41 N2 -173.1(3) . . . . ?
C5 U1 C41 N2 -72.66(19) . . . . ?
C12 U1 C41 N2 73.83(17) . . . . ?
C2 U1 C41 N2 -83.14(17) . . . . ?
C1 U1 C41 N2 -96.48(17) . . . . ?
C13 U1 C41 N2 47.61(17) . . . . ?
C11 U1 C41 N2 96.11(17) . . . . ?
C15 U1 C41 N2 85.08(18) . . . . ?
C3 U1 C41 N2 -53.75(17) . . . . ?
C4 U1 C41 N2 -44.29(18) . . . . ?
C14 U1 C41 N2 49.81(19) . . . . ?
Se1 U1 C41 N2 178.49(14) . . . . ?
N2 U1 C41 N1 173.1(3) . . . . ?
C5 U1 C41 N1 100.49(18) . . . . ?
C12 U1 C41 N1 -113.02(17) . . . . ?
C2 U1 C41 N1 90.01(17) . . . . ?
C1 U1 C41 N1 76.67(17) . . . . ?
C13 U1 C41 N1 -139.24(17) . . . . ?
C11 U1 C41 N1 -90.74(17) . . . . ?
C15 U1 C41 N1 -101.77(17) . . . . ?
C3 U1 C41 N1 119.40(17) . . . . ?
C4 U1 C41 N1 128.86(16) . . . . ?
C14 U1 C41 N1 -137.04(16) . . . . ?
Se1 U1 C41 N1 -8.36(17) . . . . ?
N1 U1 C41 N3 58.6(15) . . . . ?
N2 U1 C41 N3 -128.2(16) . . . . ?
C5 U1 C41 N3 159.1(15) . . . . ?
C12 U1 C41 N3 -54.4(16) . . . . ?
C2 U1 C41 N3 148.6(16) . . . . ?
C1 U1 C41 N3 135.3(16) . . . . ?
C13 U1 C41 N3 -80.6(16) . . . . ?
C11 U1 C41 N3 -32.1(16) . . . . ?
C15 U1 C41 N3 -43.1(16) . . . . ?
C3 U1 C41 N3 178.0(16) . . . . ?
C4 U1 C41 N3 -172.5(15) . . . . ?
C14 U1 C41 N3 -78.4(16) . . . . ?
Se1 U1 C41 N3 50.3(16) . . . . ?
C41 N1 C42 C43 -44.7(3) . . . . ?
U1 N1 C42 C43 138.3(3) . . . . ?
N1 C42 C43 C44 61.3(3) . . . . ?
C41 N3 C44 C43 8.6(4) . . . . ?
C45 N3 C44 C43 -171.7(3) . . . . ?
C42 C43 C44 N3 -42.5(3) . . . . ?
C41 N3 C45 C46 13.0(4) . . . . ?
C44 N3 C45 C46 -166.7(3) . . . . ?
N3 C45 C46 C47 -46.8(4) . . . . ?
C41 N2 C47 C46 -37.9(4) . . . . ?
U1 N2 C47 C46 159.8(3) . . . . ?
C45 C46 C47 N2 60.4(3) . . . . ?
C49 N5 C48 N4 -176.3(2) . . . . ?
U2 N5 C48 N4 -2.8(3) . . . . ?
C49 N5 C48 N6 3.4(4) . . . . ?
U2 N5 C48 N6 176.9(3) . . . . ?
C49 N5 C48 U2 -173.5(3) . . . . ?
C55 N4 C48 N5 -174.3(3) . . . . ?
U2 N4 C48 N5 2.9(3) . . . . ?
C55 N4 C48 N6 6.0(4) . . . . ?
U2 N4 C48 N6 -176.8(2) . . . . ?
C55 N4 C48 U2 -177.2(3) . . . . ?
C51 N6 C48 N5 2.2(5) . . . . ?
C52 N6 C48 N5 -173.4(3) . . . . ?
C51 N6 C48 N4 -178.1(3) . . . . ?
C52 N6 C48 N4 6.3(5) . . . . ?
C51 N6 C48 U2 146(3) . . . . ?
C52 N6 C48 U2 -30(3) . . . . ?
N4 U2 C48 N5 -176.9(3) . . . . ?
C22 U2 C48 N5 64.63(18) . . . . ?
C35 U2 C48 N5 -78.4(2) . . . . ?
C21 U2 C48 N5 87.19(18) . . . . ?
C34 U2 C48 N5 -51.61(19) . . . . ?
C32 U2 C48 N5 -91.70(18) . . . . ?
C23 U2 C48 N5 38.27(19) . . . . ?
C33 U2 C48 N5 -62.04(18) . . . . ?
C31 U2 C48 N5 -103.09(18) . . . . ?
C25 U2 C48 N5 76.7(2) . . . . ?
C24 U2 C48 N5 39.8(2) . . . . ?
Se1 U2 C48 N5 170.45(16) . . . . ?
N5 U2 C48 N4 176.9(3) . . . . ?
C22 U2 C48 N4 -118.50(18) . . . . ?
C35 U2 C48 N4 98.47(19) . . . . ?
C21 U2 C48 N4 -95.93(18) . . . . ?
C34 U2 C48 N4 125.27(18) . . . . ?
C32 U2 C48 N4 85.17(18) . . . . ?
C23 U2 C48 N4 -144.86(18) . . . . ?
C33 U2 C48 N4 114.83(18) . . . . ?
C31 U2 C48 N4 73.78(19) . . . . ?
C25 U2 C48 N4 -106.43(18) . . . . ?
C24 U2 C48 N4 -143.33(17) . . . . ?
Se1 U2 C48 N4 -12.67(19) . . . . ?
N4 U2 C48 N6 38(3) . . . . ?
N5 U2 C48 N6 -145(3) . . . . ?
C22 U2 C48 N6 -81(3) . . . . ?
C35 U2 C48 N6 136(3) . . . . ?
C21 U2 C48 N6 -58(3) . . . . ?
C34 U2 C48 N6 163(3) . . . . ?
C32 U2 C48 N6 123(3) . . . . ?
C23 U2 C48 N6 -107(3) . . . . ?
C33 U2 C48 N6 153(3) . . . . ?
C31 U2 C48 N6 112(3) . . . . ?
C25 U2 C48 N6 -69(3) . . . . ?
C24 U2 C48 N6 -105(3) . . . . ?
Se1 U2 C48 N6 25(3) . . . . ?
C48 N5 C49 C50 -33.0(4) . . . . ?
U2 N5 C49 C50 159.2(3) . . . . ?
N5 C49 C50 C51 55.9(3) . . . . ?
C48 N6 C51 C50 22.4(4) . . . . ?
C52 N6 C51 C50 -161.8(3) . . . . ?
C49 C50 C51 N6 -49.4(3) . . . . ?
C48 N6 C52 C54 16.9(4) . . . . ?
C51 N6 C52 C54 -158.9(3) . . . . ?
N6 C52 C54 C55 -49.2(4) . . . . ?
C48 N4 C55 C54 -40.0(4) . . . . ?
U2 N4 C55 C54 144.7(3) . . . . ?
C52 C54 C55 N4 61.1(3) . . . . ?
