#------------------------------------------------------------------------------
#$Date: 2017-05-06 00:46:02 +0300 (Sat, 06 May 2017) $
#$Revision: 196334 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/55/1545552.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_1545552
loop_
_publ_author_name
'Arnold, Polly L.'
'Stevens, Charlotte J.'
'Bell, Nicola L.'
'Lord, Rianne M.'
'Goldberg, Jonathan M.'
'Nichol, Gary S.'
'Love, Jason B.'
_publ_section_title
;
 Multi-electron reduction of sulfur and carbon disulfide using binuclear
 uranium(iii) borohydride complexes
;
_journal_issue                   5
_journal_name_full               'Chem. Sci.'
_journal_page_first              3609
_journal_paper_doi               10.1039/C7SC00382J
_journal_volume                  8
_journal_year                    2017
_chemical_formula_moiety         'C102 H122 B K N8 O4 U2, C4 H8 O'
_chemical_formula_sum            'C106 H130 B K N8 O5 U2'
_chemical_formula_weight         2122.15
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-05-16 deposited with the CCDC.
2017-03-02 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.6933(4)
_cell_length_b                   29.9161(4)
_cell_length_c                   10.86560(10)
_cell_measurement_reflns_used    34282
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      75.7560
_cell_measurement_theta_min      4.1610
_cell_volume                     9652.0(2)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    ORTEP
_computing_publication_material  MERCURY
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL-97, direct methods'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 10.3147
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0673
_diffrn_reflns_av_sigmaI/netI    0.0231
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            159878
_diffrn_reflns_theta_full        76.93
_diffrn_reflns_theta_max         76.93
_diffrn_reflns_theta_min         3.32
_exptl_absorpt_coefficient_mu    10.193
_exptl_absorpt_correction_T_max  0.952
_exptl_absorpt_correction_T_min  0.789
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Numerical absorption correction based on gaussian integration over
            a multifaceted crystal model
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.460
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4280
_exptl_crystal_size_max          0.1356
_exptl_crystal_size_mid          0.0959
_exptl_crystal_size_min          0.0304
_refine_diff_density_max         2.445
_refine_diff_density_min         -2.112
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    RIDING
_refine_ls_matrix_type           full
_refine_ls_number_parameters     575
_refine_ls_number_reflns         10302
_refine_ls_number_restraints     130
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0626
_refine_ls_R_factor_gt           0.0470
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0541P)²+53.4926P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1173
_refine_ls_wR_factor_ref         0.1305
_reflns_number_gt                8057
_reflns_number_total             10302
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c7sc00382j2.cif
_cod_data_source_block           po4001_refinalized_2-K
_cod_depositor_comments
'Adding full bibliography for 1545549--1545553.cif.'
_cod_database_code               1545552
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.1310(3) 0.1792(2) 0.1604(7) 0.0512(17) Uani 1 1 d . . .
H1 H 0.1352 0.1918 0.2398 0.061 Uiso 1 1 calc R . .
C2 C 0.1680(3) 0.1774(2) 0.0801(7) 0.0517(17) Uani 1 1 d . . .
C3 C 0.2124(3) 0.1908(3) 0.0957(9) 0.075(3) Uani 1 1 d . . .
H3 H 0.2249 0.2046 0.1666 0.090 Uiso 1 1 calc R . .
C4 C 0.2346(3) 0.1802(3) -0.0110(10) 0.072(3) Uani 1 1 d . . .
H4 H 0.2657 0.1851 -0.0269 0.086 Uiso 1 1 calc R . .
C5 C 0.2039(2) 0.1612(2) -0.0917(8) 0.0519(17) Uani 1 1 d . . .
C6 C 0.2110(2) 0.1418(3) -0.2193(8) 0.0555(19) Uani 1 1 d . . .
C7 C 0.2595(3) 0.1524(3) -0.2647(10) 0.074(2) Uani 1 1 d U . .
H7A H 0.2813 0.1373 -0.2097 0.088 Uiso 1 1 calc R . .
H7B H 0.2634 0.1398 -0.3483 0.088 Uiso 1 1 calc R . .
C8 C 0.2702(5) 0.2021(5) -0.2684(19) 0.153(7) Uani 1 1 d U . .
H8A H 0.2612 0.2144 -0.3482 0.229 Uiso 1 1 calc R . .
H8B H 0.3027 0.2065 -0.2566 0.229 Uiso 1 1 calc R . .
H8C H 0.2537 0.2174 -0.2026 0.229 Uiso 1 1 calc R . .
C9 C 0.2056(3) 0.0903(3) -0.2158(10) 0.076(3) Uani 1 1 d U . .
H9A H 0.1751 0.0828 -0.1854 0.091 Uiso 1 1 calc R . .
H9B H 0.2084 0.0784 -0.3004 0.091 Uiso 1 1 calc R . .
C10 C 0.2409(7) 0.0679(6) -0.1327(18) 0.183(9) Uani 1 1 d U . .
H10A H 0.2712 0.0764 -0.1600 0.274 Uiso 1 1 calc R . .
H10B H 0.2376 0.0353 -0.1376 0.274 Uiso 1 1 calc R . .
H10C H 0.2364 0.0776 -0.0474 0.274 Uiso 1 1 calc R . .
C11 C 0.1762(3) 0.1607(3) -0.3074(8) 0.059(2) Uani 1 1 d . . .
C12 C 0.1823(3) 0.1791(6) -0.4244(9) 0.114(5) Uani 1 1 d . . .
H12 H 0.2103 0.1832 -0.4650 0.137 Uiso 1 1 calc R . .
C13 C 0.1408(3) 0.1902(6) -0.4704(8) 0.132(7) Uani 1 1 d . . .
H13 H 0.1346 0.2036 -0.5479 0.158 Uiso 1 1 calc R . .
C14 C 0.1094(3) 0.1779(4) -0.3809(7) 0.070(3) Uani 1 1 d . . .
C15 C 0.0617(3) 0.1795(4) -0.3851(6) 0.065(2) Uani 1 1 d . . .
H15 H 0.0476 0.1922 -0.4553 0.079 Uiso 1 1 calc R . .
C16 C -0.0110(3) 0.1664(3) -0.3155(6) 0.061(2) Uani 1 1 d . . .
C17 C -0.0346(3) 0.1277(4) -0.3242(7) 0.070(3) Uani 1 1 d . . .
H17 H -0.0193 0.1000 -0.3159 0.084 Uiso 1 1 calc R . .
C18 C -0.0815(3) 0.1278(5) -0.3452(8) 0.089(4) Uani 1 1 d . . .
H18 H -0.0973 0.1004 -0.3511 0.107 Uiso 1 1 calc R . .
C19 C -0.1045(3) 0.1679(5) -0.3574(9) 0.086(4) Uani 1 1 d . . .
H19 H -0.1359 0.1676 -0.3733 0.104 Uiso 1 1 calc R . .
C20 C -0.0816(3) 0.2092(4) -0.3465(7) 0.074(3) Uani 1 1 d . . .
C21 C -0.0337(2) 0.2087(3) -0.3250(6) 0.062(2) Uani 1 1 d . . .
C22 C -0.0115(3) 0.2500 -0.3134(9) 0.057(3) Uani 1 2 d S . .
H22 H 0.0200 0.2500 -0.2969 0.069 Uiso 1 2 calc SR . .
C23 C -0.1039(4) 0.2500 -0.3576(11) 0.081(5) Uani 1 2 d S . .
H23 H -0.1354 0.2500 -0.3732 0.098 Uiso 1 2 calc SR . .
C24 C 0.0558(2) 0.1666(2) 0.2186(5) 0.0431(14) Uani 1 1 d . . .
C25 C -0.0011(4) 0.1287(3) 0.3387(7) 0.067(2) Uani 1 1 d . . .
H25 H -0.0131 0.1013 0.3678 0.080 Uiso 1 1 calc R . .
C26 C 0.0372(3) 0.1283(2) 0.2610(7) 0.059(2) Uani 1 1 d . . .
H26 H 0.0501 0.1005 0.2380 0.071 Uiso 1 1 calc R . .
C27 C -0.0205(3) 0.1674(3) 0.3720(6) 0.059(2) Uani 1 1 d . . .
H27 H -0.0466 0.1670 0.4227 0.071 Uiso 1 1 calc R . .
C28 C -0.0024(2) 0.2092(2) 0.3318(5) 0.0453(15) Uani 1 1 d . . .
C29 C 0.0375(2) 0.2092(2) 0.2552(5) 0.0390(13) Uani 1 1 d . . .
C30 C 0.0557(3) 0.2500 0.2163(7) 0.0345(17) Uani 1 2 d S . .
H30 H 0.0808 0.2500 0.1623 0.041 Uiso 1 2 calc SR . .
C31 C -0.0208(3) 0.2500 0.3670(8) 0.048(2) Uani 1 2 d S . .
H31 H -0.0470 0.2500 0.4172 0.058 Uiso 1 2 calc SR . .
C32 C 0.1113(3) 0.0253(3) -0.1235(10) 0.070(3) Uani 1 1 d . . .
C33 C 0.1358(3) 0.0043(2) -0.0285(11) 0.071(3) Uani 1 1 d . . .
C34 C 0.1647(4) -0.0306(3) -0.0603(14) 0.097(4) Uani 1 1 d . . .
H34 H 0.1832 -0.0430 0.0024 0.117 Uiso 1 1 calc R . .
C35 C 0.1681(4) -0.0479(3) -0.1767(17) 0.125(7) Uani 1 1 d D A .
C36 C 0.1399(6) -0.0304(4) -0.2635(14) 0.121(6) Uani 1 1 d . . .
H36 H 0.1412 -0.0428 -0.3439 0.145 Uiso 1 1 calc R . .
C37 C 0.1086(4) 0.0050(3) -0.2426(11) 0.086(3) Uani 1 1 d . . .
C38 C 0.1306(3) 0.0176(2) 0.1071(10) 0.069(2) Uani 1 1 d . . .
C39 C 0.1554(4) -0.0141(3) 0.1965(12) 0.093(4) Uani 1 1 d . . .
H39A H 0.1505 -0.0041 0.2813 0.139 Uiso 1 1 calc R . .
H39B H 0.1877 -0.0137 0.1783 0.139 Uiso 1 1 calc R . .
H39C H 0.1438 -0.0445 0.1866 0.139 Uiso 1 1 calc R . .
C40 C 0.0814(3) 0.0151(3) 0.1427(9) 0.064(2) Uani 1 1 d . . .
H40A H 0.0779 0.0243 0.2288 0.097 Uiso 1 1 calc R . .
H40B H 0.0706 -0.0156 0.1328 0.097 Uiso 1 1 calc R . .
H40C H 0.0639 0.0351 0.0897 0.097 Uiso 1 1 calc R . .
C41 C 0.1493(3) 0.0643(3) 0.1335(9) 0.068(2) Uani 1 1 d . . .
H41A H 0.1319 0.0866 0.0878 0.102 Uiso 1 1 calc R . .
H41B H 0.1809 0.0657 0.1078 0.102 Uiso 1 1 calc R . .
H41C H 0.1472 0.0705 0.2219 0.102 Uiso 1 1 calc R . .
C42 C 0.0743(5) 0.0177(4) -0.3397(11) 0.104(5) Uani 1 1 d . . .
C43 C 0.0272(4) 0.0155(4) -0.2840(10) 0.102(4) Uani 1 1 d . . .
H43A H 0.0210 -0.0151 -0.2562 0.153 Uiso 1 1 calc R . .
H43B H 0.0049 0.0242 -0.3461 0.153 Uiso 1 1 calc R . .
H43C H 0.0253 0.0360 -0.2138 0.153 Uiso 1 1 calc R . .
C44 C 0.0845(5) 0.0645(4) -0.3932(9) 0.103(4) Uani 1 1 d . . .
H44A H 0.0820 0.0870 -0.3278 0.155 Uiso 1 1 calc R . .
H44B H 0.0629 0.0713 -0.4587 0.155 Uiso 1 1 calc R . .
H44C H 0.1151 0.0649 -0.4269 0.155 Uiso 1 1 calc R . .
C45 C 0.0744(6) -0.0143(5) -0.4525(12) 0.145(7) Uani 1 1 d . . .
H45A H 0.1037 -0.0128 -0.4936 0.217 Uiso 1 1 calc R . .
H45B H 0.0507 -0.0052 -0.5103 0.217 Uiso 1 1 calc R . .
H45C H 0.0687 -0.0449 -0.4248 0.217 Uiso 1 1 calc R . .
C46 C 0.2009(5) -0.0843(3) -0.2129(15) 0.158(6) Uani 1 1 d DU . .
C47A C 0.1706(8) -0.1228(8) -0.275(3) 0.156(7) Uani 0.420(17) 1 d PDU A 1
H47A H 0.1429 -0.1268 -0.2268 0.234 Uiso 0.420(17) 1 calc PR A 1
H47B H 0.1875 -0.1510 -0.2760 0.234 Uiso 0.420(17) 1 calc PR A 1
H47C H 0.1628 -0.1142 -0.3591 0.234 Uiso 0.420(17) 1 calc PR A 1
C48A C 0.2256(10) -0.0689(9) -0.332(2) 0.156(7) Uani 0.420(17) 1 d PDU A 1
H48A H 0.2059 -0.0489 -0.3793 0.234 Uiso 0.420(17) 1 calc PR A 1
H48B H 0.2331 -0.0951 -0.3825 0.234 Uiso 0.420(17) 1 calc PR A 1
H48C H 0.2533 -0.0530 -0.3101 0.234 Uiso 0.420(17) 1 calc PR A 1
C49A C 0.2312(9) -0.1028(9) -0.128(2) 0.156(7) Uani 0.420(17) 1 d PDU A 1
H49A H 0.2146 -0.1195 -0.0655 0.234 Uiso 0.420(17) 1 calc PR A 1
H49B H 0.2485 -0.0788 -0.0892 0.234 Uiso 0.420(17) 1 calc PR A 1
H49C H 0.2518 -0.1230 -0.1715 0.234 Uiso 0.420(17) 1 calc PR A 1
C47B C 0.2105(8) -0.0970(7) -0.3358(18) 0.152(6) Uani 0.580(17) 1 d PDU A 2
H47D H 0.2159 -0.0702 -0.3855 0.228 Uiso 0.580(17) 1 calc PR A 2
H47E H 0.1848 -0.1135 -0.3698 0.228 Uiso 0.580(17) 1 calc PR A 2
H47F H 0.2373 -0.1161 -0.3372 0.228 Uiso 0.580(17) 1 calc PR A 2
C48B C 0.1943(9) -0.1250(6) -0.122(2) 0.152(6) Uani 0.580(17) 1 d PDU A 2
H48D H 0.1857 -0.1138 -0.0403 0.228 Uiso 0.580(17) 1 calc PR A 2
H48E H 0.2225 -0.1418 -0.1152 0.228 Uiso 0.580(17) 1 calc PR A 2
H48F H 0.1706 -0.1447 -0.1531 0.228 Uiso 0.580(17) 1 calc PR A 2
C49B C 0.2494(6) -0.0701(6) -0.158(2) 0.152(6) Uani 0.580(17) 1 d PDU A 2
H49D H 0.2476 -0.0682 -0.0684 0.228 Uiso 0.580(17) 1 calc PR A 2
H49E H 0.2581 -0.0410 -0.1920 0.228 Uiso 0.580(17) 1 calc PR A 2
H49F H 0.2719 -0.0926 -0.1814 0.228 Uiso 0.580(17) 1 calc PR A 2
C50 C -0.0210(3) 0.0934(3) -0.0045(8) 0.0589(19) Uani 1 1 d . . .
H50A H -0.0039 0.0754 0.0562 0.071 Uiso 1 1 calc R . .
H50B H -0.0237 0.0760 -0.0816 0.071 Uiso 1 1 calc R . .
C51 C -0.0663(3) 0.1045(3) 0.0443(12) 0.083(3) Uani 1 1 d . . .
H51A H -0.0891 0.0836 0.0112 0.100 Uiso 1 1 calc R . .
H51B H -0.0665 0.1025 0.1353 0.100 Uiso 1 1 calc R . .
C52 C -0.0758(3) 0.1498(4) 0.0051(13) 0.086(3) Uani 1 1 d . . .
H52A H -0.0952 0.1652 0.0657 0.103 Uiso 1 1 calc R . .
H52B H -0.0911 0.1499 -0.0759 0.103 Uiso 1 1 calc R . .
C53 C -0.0301(2) 0.1722(3) -0.0031(7) 0.0517(17) Uani 1 1 d . . .
H53A H -0.0296 0.1944 -0.0706 0.062 Uiso 1 1 calc R . .
H53B H -0.0227 0.1874 0.0751 0.062 Uiso 1 1 calc R . .
C54 C 0.8460(8) 0.2500 0.073(2) 0.134(6) Uani 1 2 d SDU . .
H54A H 0.8530 0.2769 0.0235 0.160 Uiso 0.50 1 calc PR . .
H54B H 0.8530 0.2231 0.0235 0.160 Uiso 0.50 1 calc PR . .
C55 C 0.7997(8) 0.2500 0.109(2) 0.169(8) Uani 1 2 d SDU . .
H55A H 0.7846 0.2768 0.0751 0.203 Uiso 0.50 1 calc PR . .
H55B H 0.7846 0.2232 0.0751 0.203 Uiso 0.50 1 calc PR . .
C56 C 0.7961(9) 0.2500 0.235(2) 0.156(8) Uani 1 2 d SDU . .
H56A H 0.7790 0.2232 0.2613 0.188 Uiso 0.50 1 calc PR . .
H56B H 0.7790 0.2768 0.2613 0.188 Uiso 0.50 1 calc PR . .
C57 C 0.8385(10) 0.2500 0.292(2) 0.189(9) Uani 1 2 d SDU . .
H57A H 0.8421 0.2231 0.3447 0.227 Uiso 0.50 1 calc PR . .
H57B H 0.8421 0.2769 0.3447 0.227 Uiso 0.50 1 calc PR . .
B1 B 0.0727(3) 0.2500 -0.0901(10) 0.043(2) Uani 1 2 d S . .
K1 K 0.16942(7) 0.2500 -0.1807(2) 0.0526(5) Uani 1 2 d S . .
N1 N 0.09151(19) 0.16433(17) 0.1309(5) 0.0414(12) Uani 1 1 d . . .
N2 N 0.1625(2) 0.15943(18) -0.0370(5) 0.0450(12) Uani 1 1 d . . .
N3 N 0.13155(19) 0.1600(2) -0.2804(5) 0.0488(14) Uani 1 1 d . . .
N4 N 0.0368(2) 0.1645(2) -0.2973(5) 0.0528(15) Uani 1 1 d . . .
O1 O 0.08882(17) 0.06550(16) -0.1045(5) 0.0532(12) Uani 1 1 d . . .
O2 O 0.00182(17) 0.13583(15) -0.0277(4) 0.0476(11) Uani 1 1 d . . .
O3 O 0.8725(6) 0.2500 0.191(2) 0.178(6) Uani 1 2 d SDU . .
U1 U 0.083520(7) 0.139890(7) -0.100389(19) 0.04000(8) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -4.3638 13.4090 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.3868 1.0657 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 '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
N1 C1 C2 122.9(7) . .
N1 C1 H1 118.6 . .
C2 C1 H1 118.6 . .
C3 C2 N2 109.7(7) . .
C3 C2 C1 131.0(7) . .
N2 C2 C1 119.3(7) . .
C4 C3 C2 106.7(7) . .
C4 C3 H3 126.7 . .
C2 C3 H3 126.7 . .
C3 C4 C5 108.2(8) . .
C3 C4 K1 92.4(6) . .
C5 C4 K1 62.2(5) . .
C3 C4 H4 125.9 . .
C5 C4 H4 125.9 . .
K1 C4 H4 111.2 . .
N2 C5 C4 109.4(7) . .
N2 C5 C6 120.4(6) . .
C4 C5 C6 130.1(7) . .
N2 C5 K1 82.4(4) . .
C4 C5 K1 93.7(5) . .
C6 C5 K1 95.2(5) . .
C5 C6 C11 110.0(6) . .
C5 C6 C9 110.1(7) . .
C11 C6 C9 108.3(7) . .
C5 C6 C7 109.9(7) . .
C11 C6 C7 110.8(7) . .
C9 C6 C7 107.8(7) . .
C5 C6 K1 59.2(4) . .
C11 C6 K1 59.4(4) . .
C9 C6 K1 152.0(5) . .
C7 C6 K1 100.2(5) . .
C8 C7 C6 113.6(9) . .
C8 C7 H7A 108.8 . .
C6 C7 H7A 108.8 . .
C8 C7 H7B 108.8 . .
C6 C7 H7B 108.8 . .
H7A C7 H7B 107.7 . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C10 C9 C6 112.2(11) . .
C10 C9 H9A 109.2 . .
C6 C9 H9A 109.2 . .
C10 C9 H9B 109.2 . .
C6 C9 H9B 109.2 . .
H9A C9 H9B 107.9 . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
N3 C11 C12 109.2(8) . .
N3 C11 C6 121.4(8) . .
C12 C11 C6 129.3(8) . .
N3 C11 K1 81.4(4) . .
C12 C11 K1 94.3(8) . .
C6 C11 K1 95.0(4) . .
C13 C12 C11 108.1(8) . .
C13 C12 K1 91.9(9) . .
C11 C12 K1 61.6(6) . .
C13 C12 H12 125.9 . .
C11 C12 H12 125.9 . .
K1 C12 H12 112.2 . .
C12 C13 C14 106.4(10) . .
C12 C13 H13 126.8 . .
C14 C13 H13 126.8 . .
N3 C14 C13 109.5(8) . .
N3 C14 C15 121.0(7) . .
C13 C14 C15 129.4(9) . .
N4 C15 C14 122.6(8) . .
N4 C15 H15 118.7 . .
C14 C15 H15 118.7 . .
C17 C16 N4 119.1(9) . .
C17 C16 C21 120.4(8) . .
N4 C16 C21 120.5(8) . .
C16 C17 C18 121.2(11) . .
C16 C17 H17 119.4 . .
C18 C17 H17 119.4 . .
C19 C18 C17 120.3(11) . .
C19 C18 H18 119.8 . .
C17 C18 H18 119.8 . .
C18 C19 C20 120.7(9) . .
C18 C19 H19 119.7 . .
C20 C19 H19 119.7 . .
C23 C20 C19 121.9(8) . .
C23 C20 C21 119.4(10) . .
C19 C20 C21 118.7(11) . .
C22 C21 C16 123.2(7) . .
C22 C21 C20 118.1(10) . .
C16 C21 C20 118.8(9) . .
C21 C22 C21 122.9(10) . 7_565
C21 C22 H22 118.6 . .
C21 C22 H22 118.6 7_565 .
C20 C23 C20 122.2(11) 7_565 .
C20 C23 H23 118.9 7_565 .
C20 C23 H23 118.9 . .
C26 C24 N1 119.3(6) . .
C26 C24 C29 120.1(7) . .
N1 C24 C29 120.5(6) . .
C27 C25 C26 120.9(7) . .
C27 C25 H25 119.6 . .
C26 C25 H25 119.6 . .
C24 C26 C25 121.5(8) . .
C24 C26 H26 119.2 . .
C25 C26 H26 119.2 . .
C25 C27 C28 120.6(8) . .
C25 C27 H27 119.7 . .
C28 C27 H27 119.7 . .
C31 C28 C27 122.5(7) . .
C31 C28 C29 118.5(7) . .
C27 C28 C29 119.0(7) . .
C30 C29 C24 122.9(6) . .
C30 C29 C28 119.3(6) . .
C24 C29 C28 117.8(6) . .
C29 C30 C29 121.3(8) 7_565 .
C29 C30 H30 119.3 7_565 .
C29 C30 H30 119.3 . .
C28 C31 C28 122.8(9) 7_565 .
C28 C31 H31 118.6 7_565 .
C28 C31 H31 118.6 . .
O1 C32 C33 121.6(8) . .
O1 C32 C37 118.2(10) . .
C33 C32 C37 120.2(9) . .
C34 C33 C32 117.9(11) . .
C34 C33 C38 119.5(10) . .
C32 C33 C38 122.5(7) . .
C35 C34 C33 123.7(14) . .
C35 C34 H34 118.1 . .
C33 C34 H34 118.1 . .
C36 C35 C34 116.7(10) . .
C36 C35 C46 119.4(14) . .
C34 C35 C46 123.9(15) . .
C35 C36 C37 125.0(13) . .
C35 C36 H36 117.5 . .
C37 C36 H36 117.5 . .
C36 C37 C32 114.9(13) . .
C36 C37 C42 120.9(11) . .
C32 C37 C42 124.2(9) . .
C40 C38 C41 110.3(7) . .
C40 C38 C33 109.2(8) . .
C41 C38 C33 112.3(8) . .
C40 C38 C39 105.6(8) . .
C41 C38 C39 105.6(8) . .
C33 C38 C39 113.4(8) . .
C38 C39 H39A 109.5 . .
C38 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C38 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C38 C40 H40A 109.5 . .
C38 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C38 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
C38 C41 H41A 109.5 . .
C38 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
C38 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
C37 C42 C43 109.2(10) . .
C37 C42 C44 110.9(10) . .
C43 C42 C44 111.6(12) . .
C37 C42 C45 113.2(12) . .
C43 C42 C45 106.7(10) . .
C44 C42 C45 105.1(10) . .
C42 C43 H43A 109.5 . .
C42 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
C42 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
C42 C44 H44A 109.5 . .
C42 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C42 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C42 C45 H45A 109.5 . .
C42 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
C42 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
C49A C46 C47B 112.5(16) . .
C49A C46 C35 121.9(15) . .
C47B C46 C35 124.5(14) . .
C49A C46 C48A 111.0(16) . .
C47B C46 C48A 37.0(12) . .
C35 C46 C48A 107.7(13) . .
C49A C46 C48B 50.6(14) . .
C47B C46 C48B 114.1(13) . .
C35 C46 C48B 108.2(11) . .
C48A C46 C48B 143.8(14) . .
C49A C46 C47A 110.6(15) . .
C47B C46 C47A 61.8(15) . .
C35 C46 C47A 105.3(12) . .
C48A C46 C47A 97.3(15) . .
C48B C46 C47A 69.0(15) . .
C49A C46 C49B 44.6(15) . .
C47B C46 C49B 103.7(13) . .
C35 C46 C49B 106.8(10) . .
C48A C46 C49B 79.0(15) . .
C48B C46 C49B 94.7(14) . .
C47A C46 C49B 147.2(13) . .
C46 C47A H47A 109.5 . .
C46 C47A H47B 109.5 . .
H47A C47A H47B 109.5 . .
C46 C47A H47C 109.5 . .
H47A C47A H47C 109.5 . .
H47B C47A H47C 109.5 . .
C46 C48A H48A 109.5 . .
C46 C48A H48B 109.5 . .
H48A C48A H48B 109.5 . .
C46 C48A H48C 109.5 . .
H48A C48A H48C 109.5 . .
H48B C48A H48C 109.5 . .
C46 C49A H49A 109.5 . .
C46 C49A H49B 109.5 . .
H49A C49A H49B 109.5 . .
C46 C49A H49C 109.5 . .
H49A C49A H49C 109.5 . .
H49B C49A H49C 109.5 . .
C46 C47B H47D 109.5 . .
C46 C47B H47E 109.5 . .
H47D C47B H47E 109.5 . .
C46 C47B H47F 109.5 . .
H47D C47B H47F 109.5 . .
H47E C47B H47F 109.5 . .
C46 C48B H48D 109.5 . .
C46 C48B H48E 109.5 . .
H48D C48B H48E 109.5 . .
C46 C48B H48F 109.5 . .
H48D C48B H48F 109.5 . .
H48E C48B H48F 109.5 . .
C46 C49B H49D 109.5 . .
C46 C49B H49E 109.5 . .
H49D C49B H49E 109.5 . .
C46 C49B H49F 109.5 . .
H49D C49B H49F 109.5 . .
H49E C49B H49F 109.5 . .
O2 C50 C51 106.6(7) . .
O2 C50 H50A 110.4 . .
C51 C50 H50A 110.4 . .
O2 C50 H50B 110.4 . .
C51 C50 H50B 110.4 . .
H50A C50 H50B 108.6 . .
C52 C51 C50 106.4(8) . .
C52 C51 H51A 110.5 . .
C50 C51 H51A 110.5 . .
C52 C51 H51B 110.5 . .
C50 C51 H51B 110.5 . .
H51A C51 H51B 108.6 . .
C51 C52 C53 104.8(8) . .
C51 C52 H52A 110.8 . .
C53 C52 H52A 110.8 . .
C51 C52 H52B 110.8 . .
C53 C52 H52B 110.8 . .
H52A C52 H52B 108.9 . .
O2 C53 C52 105.2(6) . .
O2 C53 H53A 110.7 . .
C52 C53 H53A 110.7 . .
O2 C53 H53B 110.7 . .
C52 C53 H53B 110.7 . .
H53A C53 H53B 108.8 . .
C55 C54 O3 105.6(19) . .
C55 C54 H54A 110.6 . .
O3 C54 H54A 110.6 . .
C55 C54 H54B 110.6 . .
O3 C54 H54B 110.6 . .
H54A C54 H54B 108.7 . .
C56 C55 C54 110(2) . .
C56 C55 H55A 109.6 . .
C54 C55 H55A 109.6 . .
C56 C55 H55B 109.6 . .
C54 C55 H55B 109.6 . .
H55A C55 H55B 108.1 . .
C55 C56 C57 112(2) . .
C55 C56 H56A 109.2 . .
C57 C56 H56A 109.2 . .
C55 C56 H56B 109.2 . .
C57 C56 H56B 109.2 . .
H56A C56 H56B 107.9 . .
C56 C57 O3 106(2) . .
C56 C57 H57A 110.5 . .
O3 C57 H57A 110.5 . .
C56 C57 H57B 110.5 . .
O3 C57 H57B 110.5 . .
H57A C57 H57B 108.7 . .
C5 K1 C5 124.1(3) 7_565 .
C5 K1 C11 48.8(2) 7_565 7_565
C5 K1 C11 155.2(2) . 7_565
C5 K1 C11 155.2(2) 7_565 .
C5 K1 C11 48.8(2) . .
C11 K1 C11 124.9(4) 7_565 .
C5 K1 B1 102.60(18) 7_565 .
C5 K1 B1 102.60(18) . .
C11 K1 B1 102.21(18) 7_565 .
C11 K1 B1 102.21(18) . .
C5 K1 N3 58.05(18) 7_565 7_565
C5 K1 N3 177.8(2) . 7_565
C11 K1 N3 25.55(17) 7_565 7_565
C11 K1 N3 129.2(2) . 7_565
B1 K1 N3 76.77(14) . 7_565
C5 K1 N3 177.8(2) 7_565 .
C5 K1 N3 58.05(18) . .
C11 K1 N3 129.2(2) 7_565 .
C11 K1 N3 25.55(17) . .
B1 K1 N3 76.77(14) . .
N3 K1 N3 119.8(2) 7_565 .
C5 K1 N2 25.62(18) 7_565 7_565
C5 K1 N2 128.8(2) . 7_565
C11 K1 N2 57.7(2) 7_565 7_565
C11 K1 N2 177.3(2) . 7_565
B1 K1 N2 77.09(15) . 7_565
N3 K1 N2 53.26(16) 7_565 7_565
N3 K1 N2 153.86(17) . 7_565
C5 K1 N2 128.8(2) 7_565 .
C5 K1 N2 25.62(18) . .
C11 K1 N2 177.3(2) 7_565 .
C11 K1 N2 57.7(2) . .
B1 K1 N2 77.09(15) . .
N3 K1 N2 153.86(17) 7_565 .
N3 K1 N2 53.26(16) . .
N2 K1 N2 119.7(2) 7_565 .
C5 K1 C4 24.07(19) 7_565 7_565
C5 K1 C4 100.0(2) . 7_565
C11 K1 C4 70.4(2) 7_565 7_565
C11 K1 C4 139.1(2) . 7_565
B1 K1 C4 111.3(2) . 7_565
N3 K1 C4 82.12(18) 7_565 7_565
N3 K1 C4 158.09(19) . 7_565
N2 K1 C4 40.05(19) 7_565 7_565
N2 K1 C4 107.39(19) . 7_565
C5 K1 C4 100.0(2) 7_565 .
C5 K1 C4 24.07(19) . .
C11 K1 C4 139.1(2) 7_565 .
C11 K1 C4 70.4(2) . .
B1 K1 C4 111.3(2) . .
N3 K1 C4 158.09(19) 7_565 .
N3 K1 C4 82.12(18) . .
N2 K1 C4 107.39(19) 7_565 .
N2 K1 C4 40.05(19) . .
C4 K1 C4 76.0(3) 7_565 .
C5 K1 C12 70.3(3) 7_565 7_565
C5 K1 C12 139.5(3) . 7_565
C11 K1 C12 24.1(3) 7_565 7_565
C11 K1 C12 100.9(3) . 7_565
B1 K1 C12 110.9(2) . 7_565
N3 K1 C12 39.9(2) 7_565 7_565
N3 K1 C12 107.9(3) . 7_565
N2 K1 C12 81.8(3) 7_565 7_565
N2 K1 C12 158.6(3) . 7_565
C4 K1 C12 88.6(3) 7_565 7_565
C4 K1 C12 137.7(3) . 7_565
C1 N1 C24 119.4(6) . .
C1 N1 U1 114.4(5) . .
C24 N1 U1 125.8(4) . .
C5 N2 C2 106.0(6) . .
C5 N2 U1 136.8(5) . .
C2 N2 U1 116.8(5) . .
C5 N2 K1 72.0(4) . .
C2 N2 K1 96.5(4) . .
U1 N2 K1 97.22(18) . .
C11 N3 C14 106.7(7) . .
C11 N3 U1 137.0(5) . .
C14 N3 U1 116.1(5) . .
C11 N3 K1 73.0(4) . .
C14 N3 K1 96.4(5) . .
U1 N3 K1 98.14(18) . .
C15 N4 C16 117.0(7) . .
C15 N4 U1 113.1(5) . .
C16 N4 U1 129.8(4) . .
C32 O1 U1 154.0(5) . .
C50 O2 C53 108.2(6) . .
C50 O2 U1 122.3(4) . .
C53 O2 U1 129.4(4) . .
C57 O3 C54 106.1(18) . .
O1 U1 N3 100.60(19) . .
O1 U1 N2 99.89(18) . .
N3 U1 N2 68.00(19) . .
O1 U1 O2 91.47(17) . .
N3 U1 O2 142.86(18) . .
N2 U1 O2 144.34(17) . .
O1 U1 N1 106.88(17) . .
N3 U1 N1 129.15(18) . .
N2 U1 N1 65.72(18) . .
O2 U1 N1 78.65(16) . .
O1 U1 N4 107.3(2) . .
N3 U1 N4 66.44(19) . .
N2 U1 N4 130.11(19) . .
O2 U1 N4 76.45(16) . .
N1 U1 N4 137.77(18) . .
O1 U1 K1 136.51(13) . .
N3 U1 K1 46.40(13) . .
N2 U1 K1 46.92(13) . .
O2 U1 K1 132.01(10) . .
N1 U1 K1 85.78(12) . .
N4 U1 K1 86.17(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.295(9) .
C1 C2 1.404(11) .
C1 H1 0.9500 .
C2 C3 1.386(11) .
C2 N2 1.391(9) .
C3 C4 1.372(13) .
C3 H3 0.9500 .
C4 C5 1.386(11) .
C4 K1 3.392(10) .
C4 H4 0.9500 .
C5 N2 1.367(9) .
C5 C6 1.517(11) .
C5 K1 3.007(7) .
C6 C11 1.517(12) .
C6 C9 1.550(11) .
C6 C7 1.555(11) .
C6 K1 3.488(7) .
C7 C8 1.522(17) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 C10 1.539(19) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 N3 1.358(9) .
C11 C12 1.397(14) .
C11 K1 3.012(8) .
C12 C13 1.370(15) .
C12 K1 3.414(13) .
C12 H12 0.9500 .
C13 C14 1.397(12) .
C13 H13 0.9500 .
C14 N3 1.383(11) .
C14 C15 1.417(12) .
C15 N4 1.288(10) .
C15 H15 0.9500 .
C16 C17 1.357(12) .
C16 N4 1.434(9) .
C16 C21 1.437(13) .
C17 C18 1.410(13) .
C17 H17 0.9500 .
C18 C19 1.385(18) .
C18 H18 0.9500 .
C19 C20 1.415(16) .
C19 H19 0.9500 .
C20 C23 1.395(12) .
C20 C21 1.440(10) .
C21 C22 1.405(10) .
C22 C21 1.405(10) 7_565
C22 H22 0.9500 .
C23 C20 1.395(12) 7_565
C23 H23 0.9500 .
C24 C26 1.354(10) .
C24 N1 1.428(9) .
C24 C29 1.440(9) .
C25 C27 1.344(13) .
C25 C26 1.415(13) .
C25 H25 0.9500 .
C26 H26 0.9500 .
C27 C28 1.428(10) .
C27 H27 0.9500 .
C28 C31 1.390(9) .
C28 C29 1.449(9) .
C29 C30 1.399(7) .
C30 C29 1.399(7) 7_565
C30 H30 0.9500 .
C31 C28 1.390(9) 7_565
C31 H31 0.9500 .
C32 O1 1.391(9) .
C32 C33 1.409(15) .
C32 C37 1.432(14) .
C33 C34 1.396(12) .
C33 C38 1.534(14) .
C34 C35 1.37(2) .
C34 H34 0.9500 .
C35 C36 1.36(2) .
C35 C46 1.514(12) .
C36 C37 1.428(17) .
C36 H36 0.9500 .
C37 C42 1.515(19) .
C38 C40 1.513(12) .
C38 C41 1.531(11) .
C38 C39 1.544(13) .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
C42 C43 1.525(16) .
C42 C44 1.545(17) .
C42 C45 1.555(13) .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C45 H45A 0.9800 .
C45 H45B 0.9800 .
C45 H45C 0.9800 .
C46 C49A 1.400(16) .
C46 C47B 1.418(15) .
C46 C48A 1.560(16) .
C46 C48B 1.582(15) .
C46 C47A 1.609(16) .
C46 C49B 1.614(16) .
C47A H47A 0.9800 .
C47A H47B 0.9800 .
C47A H47C 0.9800 .
C48A H48A 0.9800 .
C48A H48B 0.9800 .
C48A H48C 0.9800 .
C49A H49A 0.9800 .
C49A H49B 0.9800 .
C49A H49C 0.9800 .
C47B H47D 0.9800 .
C47B H47E 0.9800 .
C47B H47F 0.9800 .
C48B H48D 0.9800 .
C48B H48E 0.9800 .
C48B H48F 0.9800 .
C49B H49D 0.9800 .
C49B H49E 0.9800 .
C49B H49F 0.9800 .
C50 O2 1.461(9) .
C50 C51 1.484(12) .
C50 H50A 0.9900 .
C50 H50B 0.9900 .
C51 C52 1.448(14) .
C51 H51A 0.9900 .
C51 H51B 0.9900 .
C52 C53 1.515(12) .
C52 H52A 0.9900 .
C52 H52B 0.9900 .
C53 O2 1.467(8) .
C53 H53A 0.9900 .
C53 H53B 0.9900 .
C54 C55 1.429(17) .
C54 O3 1.502(17) .
C54 H54A 0.9900 .
C54 H54B 0.9900 .
C55 C56 1.373(17) .
C55 H55A 0.9900 .
C55 H55B 0.9900 .
C56 C57 1.406(18) .
C56 H56A 0.9900 .
C56 H56B 0.9900 .
C57 O3 1.496(17) .
C57 H57A 0.9900 .
C57 H57B 0.9900 .
B1 K1 3.036(11) .
K1 C5 3.007(7) 7_565
K1 C11 3.012(8) 7_565
K1 N3 3.114(6) 7_565
K1 N3 3.114(6) .
K1 N2 3.134(6) 7_565
K1 N2 3.134(6) .
K1 C4 3.392(10) 7_565
K1 C12 3.414(13) 7_565
N1 U1 2.628(5) .
N2 U1 2.513(6) .
N3 U1 2.494(6) .
N4 U1 2.655(6) .
O1 U1 2.231(5) .
O2 U1 2.554(5) .
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_4
N1 C1 C2 C3 -178.8(8) . .
N1 C1 C2 N2 0.6(11) . .
N2 C2 C3 C4 -1.2(11) . .
C1 C2 C3 C4 178.3(8) . .
C2 C3 C4 C5 0.9(11) . .
C2 C3 C4 K1 62.4(7) . .
C3 C4 C5 N2 -0.3(11) . .
K1 C4 C5 N2 -83.2(5) . .
C3 C4 C5 C6 -177.1(8) . .
K1 C4 C5 C6 99.9(9) . .
C3 C4 C5 K1 83.0(8) . .
N2 C5 C6 C11 52.2(9) . .
C4 C5 C6 C11 -131.2(9) . .
K1 C5 C6 C11 -31.9(6) . .
N2 C5 C6 C9 -67.0(9) . .
C4 C5 C6 C9 109.5(10) . .
K1 C5 C6 C9 -151.2(6) . .
N2 C5 C6 C7 174.4(7) . .
C4 C5 C6 C7 -9.0(12) . .
K1 C5 C6 C7 90.2(6) . .
N2 C5 C6 K1 84.2(6) . .
C4 C5 C6 K1 -99.3(9) . .
C5 C6 C7 C8 -58.0(13) . .
C11 C6 C7 C8 63.7(12) . .
C9 C6 C7 C8 -178.0(11) . .
K1 C6 C7 C8 2.7(12) . .
C5 C6 C9 C10 -62.2(12) . .
C11 C6 C9 C10 177.5(10) . .
C7 C6 C9 C10 57.6(13) . .
K1 C6 C9 C10 -123.8(14) . .
C5 C6 C11 N3 -51.1(10) . .
C9 C6 C11 N3 69.3(9) . .
C7 C6 C11 N3 -172.8(7) . .
K1 C6 C11 N3 -83.0(7) . .
C5 C6 C11 C12 131.6(11) . .
C9 C6 C11 C12 -108.1(12) . .
C7 C6 C11 C12 9.9(14) . .
K1 C6 C11 C12 99.7(12) . .
C5 C6 C11 K1 31.9(6) . .
C9 C6 C11 K1 152.2(5) . .
C7 C6 C11 K1 -89.8(6) . .
N3 C11 C12 C13 0.3(16) . .
C6 C11 C12 C13 177.9(11) . .
K1 C11 C12 C13 -82.1(13) . .
N3 C11 C12 K1 82.4(6) . .
C6 C11 C12 K1 -100.0(10) . .
C11 C12 C13 C14 -0.7(18) . .
K1 C12 C13 C14 -61.3(12) . .
C12 C13 C14 N3 0.8(17) . .
C12 C13 C14 C15 -175.8(12) . .
N3 C14 C15 N4 -0.3(15) . .
C13 C14 C15 N4 175.9(13) . .
N4 C16 C17 C18 -178.3(7) . .
C21 C16 C17 C18 1.4(11) . .
C16 C17 C18 C19 -0.1(13) . .
C17 C18 C19 C20 -1.3(14) . .
C18 C19 C20 C23 -179.6(10) . .
C18 C19 C20 C21 1.3(13) . .
C17 C16 C21 C22 178.1(8) . .
N4 C16 C21 C22 -2.1(11) . .
C17 C16 C21 C20 -1.3(10) . .
N4 C16 C21 C20 178.4(6) . .
C23 C20 C21 C22 1.4(12) . .
C19 C20 C21 C22 -179.5(8) . .
C23 C20 C21 C16 -179.2(8) . .
C19 C20 C21 C16 0.0(11) . .
C16 C21 C22 C21 178.8(6) . 7_565
C20 C21 C22 C21 -1.7(14) . 7_565
C19 C20 C23 C20 179.8(8) . 7_565
C21 C20 C23 C20 -1.1(17) . 7_565
N1 C24 C26 C25 -173.9(7) . .
C29 C24 C26 C25 1.7(11) . .
C27 C25 C26 C24 0.8(12) . .
C26 C25 C27 C28 -1.4(12) . .
C25 C27 C28 C31 -178.1(8) . .
C25 C27 C28 C29 -0.4(10) . .
C26 C24 C29 C30 178.9(7) . .
N1 C24 C29 C30 -5.6(10) . .
C26 C24 C29 C28 -3.5(9) . .
N1 C24 C29 C28 172.1(6) . .
C31 C28 C29 C30 -1.7(10) . .
C27 C28 C29 C30 -179.5(6) . .
C31 C28 C29 C24 -179.4(6) . .
C27 C28 C29 C24 2.8(9) . .
C24 C29 C30 C29 -179.0(5) . 7_565
C28 C29 C30 C29 3.5(12) . 7_565
C27 C28 C31 C28 177.7(6) . 7_565
C29 C28 C31 C28 0.0(13) . 7_565
O1 C32 C33 C34 -167.2(8) . .
C37 C32 C33 C34 13.9(13) . .
O1 C32 C33 C38 14.5(12) . .
C37 C32 C33 C38 -164.3(8) . .
C32 C33 C34 C35 -5.4(15) . .
C38 C33 C34 C35 172.9(10) . .
C33 C34 C35 C36 -2.4(17) . .
C33 C34 C35 C46 177.2(10) . .
C34 C35 C36 C37 2(2) . .
C46 C35 C36 C37 -177.7(10) . .
C35 C36 C37 C32 6.2(17) . .
C35 C36 C37 C42 -171.4(12) . .
O1 C32 C37 C36 167.1(8) . .
C33 C32 C37 C36 -14.0(13) . .
O1 C32 C37 C42 -15.4(14) . .
C33 C32 C37 C42 163.5(9) . .
C34 C33 C38 C40 -124.0(8) . .
C32 C33 C38 C40 54.3(10) . .
C34 C33 C38 C41 113.3(9) . .
C32 C33 C38 C41 -68.5(11) . .
C34 C33 C38 C39 -6.4(12) . .
C32 C33 C38 C39 171.8(8) . .
C36 C37 C42 C43 124.5(10) . .
C32 C37 C42 C43 -52.8(13) . .
C36 C37 C42 C44 -112.1(11) . .
C32 C37 C42 C44 70.6(13) . .
C36 C37 C42 C45 5.8(15) . .
C32 C37 C42 C45 -171.5(9) . .
C36 C35 C46 C49A 178.6(19) . .
C34 C35 C46 C49A -1(2) . .
C36 C35 C46 C47B 11(2) . .
C34 C35 C46 C47B -168.2(16) . .
C36 C35 C46 C48A 48.5(19) . .
C34 C35 C46 C48A -131.1(17) . .
C36 C35 C46 C48B -127.0(17) . .
C34 C35 C46 C48B 53.4(18) . .
C36 C35 C46 C47A -54.5(19) . .
C34 C35 C46 C47A 125.8(17) . .
C36 C35 C46 C49B 132.0(15) . .
C34 C35 C46 C49B -47.6(17) . .
O2 C50 C51 C52 21.7(12) . .
C50 C51 C52 C53 -29.7(12) . .
C51 C52 C53 O2 26.7(11) . .
O3 C54 C55 C56 0.000(1) . .
C54 C55 C56 C57 0.000(1) . .
C55 C56 C57 O3 0.000(1) . .
N2 C5 K1 C5 109.6(4) . 7_565
C4 C5 K1 C5 0.5(8) . 7_565
C6 C5 K1 C5 -130.3(4) . 7_565
N2 C5 K1 C11 174.0(5) . 7_565
C4 C5 K1 C11 64.9(8) . 7_565
C6 C5 K1 C11 -65.9(7) . 7_565
N2 C5 K1 C11 -100.6(5) . .
C4 C5 K1 C11 150.3(6) . .
C6 C5 K1 C11 19.4(4) . .
N2 C5 K1 B1 -5.3(5) . .
C4 C5 K1 B1 -114.4(6) . .
C6 C5 K1 B1 114.7(4) . .
N2 C5 K1 N3 -78(6) . 7_565
C4 C5 K1 N3 172(5) . 7_565
C6 C5 K1 N3 42(6) . 7_565
N2 C5 K1 N3 -70.7(4) . .
C4 C5 K1 N3 -179.9(6) . .
C6 C5 K1 N3 49.3(4) . .
N2 C5 K1 N2 78.1(4) . 7_565
C4 C5 K1 N2 -31.0(6) . 7_565
C6 C5 K1 N2 -161.8(4) . 7_565
C4 C5 K1 N2 -109.1(7) . .
C6 C5 K1 N2 120.0(6) . .
N2 C5 K1 C4 109.4(4) . 7_565
C4 C5 K1 C4 0.3(4) . 7_565
C6 C5 K1 C4 -130.5(4) . 7_565
N2 C5 K1 C4 109.1(7) . .
C6 C5 K1 C4 -130.8(8) . .
N2 C5 K1 C12 -150.9(5) . 7_565
C4 C5 K1 C12 100.0(6) . 7_565
C6 C5 K1 C12 -30.8(6) . 7_565
N3 C11 K1 C5 -175.2(5) . 7_565
C12 C11 K1 C5 -66.4(8) . 7_565
C6 C11 K1 C5 63.8(8) . 7_565
N3 C11 K1 C5 101.6(5) . .
C12 C11 K1 C5 -149.6(6) . .
C6 C11 K1 C5 -19.4(4) . .
N3 C11 K1 C11 -109.1(5) . 7_565
C12 C11 K1 C11 -0.2(7) . 7_565
C6 C11 K1 C11 129.9(4) . 7_565
N3 C11 K1 B1 5.5(5) . .
C12 C11 K1 B1 114.3(6) . .
C6 C11 K1 B1 -115.6(5) . .
N3 C11 K1 N3 -77.3(5) . 7_565
C12 C11 K1 N3 31.5(6) . 7_565
C6 C11 K1 N3 161.6(4) . 7_565
C12 C11 K1 N3 108.8(8) . .
C6 C11 K1 N3 -121.1(8) . .
N3 C11 K1 N2 80(4) . 7_565
C12 C11 K1 N2 -171(4) . 7_565
C6 C11 K1 N2 -41(4) . 7_565
N3 C11 K1 N2 71.4(5) . .
C12 C11 K1 N2 -179.7(6) . .
C6 C11 K1 N2 -49.6(4) . .
N3 C11 K1 C4 150.5(4) . 7_565
C12 C11 K1 C4 -100.7(6) . 7_565
C6 C11 K1 C4 29.4(6) . 7_565
N3 C11 K1 C4 114.0(5) . .
C12 C11 K1 C4 -137.2(6) . .
C6 C11 K1 C4 -7.0(4) . .
N3 C11 K1 C12 -109.0(5) . 7_565
C12 C11 K1 C12 -0.1(4) . 7_565
C6 C11 K1 C12 130.0(5) . 7_565
C3 C4 K1 C5 71.1(6) . 7_565
C5 C4 K1 C5 -179.6(6) . 7_565
C3 C4 K1 C5 -109.3(8) . .
C3 C4 K1 C11 106.2(6) . 7_565
C5 C4 K1 C11 -144.5(5) . 7_565
C3 C4 K1 C11 -132.7(6) . .
C5 C4 K1 C11 -23.3(5) . .
C3 C4 K1 B1 -36.8(6) . .
C5 C4 K1 B1 72.5(6) . .
C3 C4 K1 N3 71.4(8) . 7_565
C5 C4 K1 N3 -179.2(5) . 7_565
C3 C4 K1 N3 -109.2(6) . .
C5 C4 K1 N3 0.1(5) . .
C3 C4 K1 N2 45.8(6) . 7_565
C5 C4 K1 N2 155.1(5) . 7_565
C3 C4 K1 N2 -69.9(6) . .
C5 C4 K1 N2 39.4(5) . .
C3 C4 K1 C4 71.0(6) . 7_565
C5 C4 K1 C4 -179.7(4) . 7_565
C3 C4 K1 C12 142.7(6) . 7_565
C5 C4 K1 C12 -107.9(6) . 7_565
C2 C1 N1 C24 178.9(6) . .
C2 C1 N1 U1 -7.3(8) . .
C26 C24 N1 C1 -116.3(8) . .
C29 C24 N1 C1 68.1(8) . .
C26 C24 N1 U1 70.7(8) . .
C29 C24 N1 U1 -104.9(6) . .
C4 C5 N2 C2 -0.5(9) . .
C6 C5 N2 C2 176.7(7) . .
K1 C5 N2 C2 -91.7(5) . .
C4 C5 N2 U1 172.5(6) . .
C6 C5 N2 U1 -10.4(11) . .
K1 C5 N2 U1 81.2(6) . .
C4 C5 N2 K1 91.3(6) . .
C6 C5 N2 K1 -91.5(7) . .
C3 C2 N2 C5 1.0(9) . .
C1 C2 N2 C5 -178.5(6) . .
C3 C2 N2 U1 -173.5(6) . .
C1 C2 N2 U1 6.9(8) . .
C3 C2 N2 K1 -72.1(7) . .
C1 C2 N2 K1 108.4(6) . .
C5 K1 N2 C5 -89.4(5) 7_565 .
C11 K1 N2 C5 -110(4) 7_565 .
C11 K1 N2 C5 61.0(4) . .
B1 K1 N2 C5 174.7(5) . .
N3 K1 N2 C5 175.1(5) 7_565 .
N3 K1 N2 C5 91.7(4) . .
N2 K1 N2 C5 -118.5(4) 7_565 .
C4 K1 N2 C5 -76.7(4) 7_565 .
C4 K1 N2 C5 -36.8(4) . .
C12 K1 N2 C5 59.9(7) 7_565 .
C5 K1 N2 C2 15.4(5) 7_565 .
C5 K1 N2 C2 104.8(6) . .
C11 K1 N2 C2 -5(4) 7_565 .
C11 K1 N2 C2 165.8(5) . .
B1 K1 N2 C2 -80.5(5) . .
N3 K1 N2 C2 -80.1(6) 7_565 .
N3 K1 N2 C2 -163.5(5) . .
N2 K1 N2 C2 -13.8(6) 7_565 .
C4 K1 N2 C2 28.1(5) 7_565 .
C4 K1 N2 C2 68.0(5) . .
C12 K1 N2 C2 164.7(6) 7_565 .
C5 K1 N2 U1 133.5(2) 7_565 .
C5 K1 N2 U1 -137.1(5) . .
C11 K1 N2 U1 113(4) 7_565 .
C11 K1 N2 U1 -76.1(2) . .
B1 K1 N2 U1 37.6(2) . .
N3 K1 N2 U1 38.1(5) 7_565 .
N3 K1 N2 U1 -45.38(17) . .
N2 K1 N2 U1 104.4(2) 7_565 .
C4 K1 N2 U1 146.3(2) 7_565 .
C4 K1 N2 U1 -173.8(4) . .
C12 K1 N2 U1 -77.1(6) 7_565 .
C12 C11 N3 C14 0.1(11) . .
C6 C11 N3 C14 -177.7(7) . .
K1 C11 N3 C14 91.7(6) . .
C12 C11 N3 U1 -175.3(8) . .
C6 C11 N3 U1 6.9(12) . .
K1 C11 N3 U1 -83.7(6) . .
C12 C11 N3 K1 -91.6(9) . .
C6 C11 N3 K1 90.6(7) . .
C13 C14 N3 C11 -0.6(12) . .
C15 C14 N3 C11 176.4(9) . .
C13 C14 N3 U1 176.0(9) . .
C15 C14 N3 U1 -7.1(12) . .
C13 C14 N3 K1 73.6(10) . .
C15 C14 N3 K1 -109.4(9) . .
C5 K1 N3 C11 112(5) 7_565 .
C5 K1 N3 C11 -60.2(5) . .
C11 K1 N3 C11 90.4(6) 7_565 .
B1 K1 N3 C11 -174.5(5) . .
N3 K1 N3 C11 119.4(5) 7_565 .
N2 K1 N3 C11 -174.0(5) 7_565 .
N2 K1 N3 C11 -90.9(5) . .
C4 K1 N3 C11 -59.8(8) 7_565 .
C4 K1 N3 C11 -60.3(5) . .
C12 K1 N3 C11 77.5(5) 7_565 .
C5 K1 N3 C14 6(6) 7_565 .
C5 K1 N3 C14 -165.8(5) . .
C11 K1 N3 C14 -15.2(5) 7_565 .
C11 K1 N3 C14 -105.6(7) . .
B1 K1 N3 C14 79.9(5) . .
N3 K1 N3 C14 13.9(6) 7_565 .
N2 K1 N3 C14 80.4(6) 7_565 .
N2 K1 N3 C14 163.6(5) . .
C4 K1 N3 C14 -165.4(6) 7_565 .
C4 K1 N3 C14 -165.9(5) . .
C12 K1 N3 C14 -28.1(5) 7_565 .
C5 K1 N3 U1 -111(5) 7_565 .
C5 K1 N3 U1 76.6(2) . .
C11 K1 N3 U1 -132.8(2) 7_565 .
C11 K1 N3 U1 136.8(6) . .
B1 K1 N3 U1 -37.7(2) . .
N3 K1 N3 U1 -103.8(2) 7_565 .
N2 K1 N3 U1 -37.2(5) 7_565 .
N2 K1 N3 U1 45.95(18) . .
C4 K1 N3 U1 77.0(6) 7_565 .
C4 K1 N3 U1 76.5(2) . .
C12 K1 N3 U1 -145.7(2) 7_565 .
C14 C15 N4 C16 -177.3(9) . .
C14 C15 N4 U1 6.9(12) . .
C17 C16 N4 C15 114.4(9) . .
C21 C16 N4 C15 -65.3(10) . .
C17 C16 N4 U1 -70.6(9) . .
C21 C16 N4 U1 109.7(7) . .
C33 C32 O1 U1 89.2(14) . .
C37 C32 O1 U1 -91.8(14) . .
C51 C50 O2 C53 -4.5(9) . .
C51 C50 O2 U1 176.1(6) . .
C52 C53 O2 C50 -13.5(9) . .
C52 C53 O2 U1 165.9(6) . .
C56 C57 O3 C54 0.000(1) . .
C55 C54 O3 C57 0.000(1) . .
C32 O1 U1 N3 36.0(13) . .
C32 O1 U1 N2 -33.2(13) . .
C32 O1 U1 O2 -179.3(13) . .
C32 O1 U1 N1 -100.7(13) . .
C32 O1 U1 N4 104.5(13) . .
C32 O1 U1 K1 1.3(14) . .
C11 N3 U1 O1 -73.4(7) . .
C14 N3 U1 O1 111.5(6) . .
K1 N3 U1 O1 -147.24(18) . .
C11 N3 U1 N2 23.1(7) . .
C14 N3 U1 N2 -152.1(6) . .
K1 N3 U1 N2 -50.76(17) . .
C11 N3 U1 O2 179.7(6) . .
C14 N3 U1 O2 4.6(7) . .
K1 N3 U1 O2 105.9(3) . .
C11 N3 U1 N1 48.8(8) . .
C14 N3 U1 N1 -126.3(6) . .
K1 N3 U1 N1 -25.0(3) . .
C11 N3 U1 N4 -177.8(8) . .
C14 N3 U1 N4 7.1(6) . .
K1 N3 U1 N4 108.3(2) . .
C11 N3 U1 K1 73.8(7) . .
C14 N3 U1 K1 -101.3(6) . .
C5 N2 U1 O1 76.4(7) . .
C2 N2 U1 O1 -111.3(5) . .
K1 N2 U1 O1 147.69(17) . .
C5 N2 U1 N3 -21.2(6) . .
C2 N2 U1 N3 151.2(5) . .
K1 N2 U1 N3 50.17(18) . .
C5 N2 U1 O2 -176.9(6) . .
C2 N2 U1 O2 -4.5(6) . .
K1 N2 U1 O2 -105.6(3) . .
C5 N2 U1 N1 -179.5(7) . .
C2 N2 U1 N1 -7.1(4) . .
K1 N2 U1 N1 -108.14(19) . .
C5 N2 U1 N4 -46.5(7) . .
C2 N2 U1 N4 125.9(5) . .
K1 N2 U1 N4 24.9(3) . .
C5 N2 U1 K1 -71.3(6) . .
C2 N2 U1 K1 101.1(5) . .
C50 O2 U1 O1 1.2(5) . .
C53 O2 U1 O1 -178.1(5) . .
C50 O2 U1 N3 111.0(5) . .
C53 O2 U1 N3 -68.3(6) . .
C50 O2 U1 N2 -108.1(5) . .
C53 O2 U1 N2 72.6(6) . .
C50 O2 U1 N1 -105.7(5) . .
C53 O2 U1 N1 74.9(5) . .
C50 O2 U1 N4 108.7(5) . .
C53 O2 U1 N4 -70.7(5) . .
C50 O2 U1 K1 -179.3(5) . .
C53 O2 U1 K1 1.3(6) . .
C1 N1 U1 O1 100.8(5) . .
C24 N1 U1 O1 -85.9(5) . .
C1 N1 U1 N3 -18.9(5) . .
C24 N1 U1 N3 154.4(4) . .
C1 N1 U1 N2 7.4(4) . .
C24 N1 U1 N2 -179.3(5) . .
C1 N1 U1 O2 -171.1(5) . .
C24 N1 U1 O2 2.2(5) . .
C1 N1 U1 N4 -116.3(5) . .
C24 N1 U1 N4 57.0(6) . .
C1 N1 U1 K1 -36.7(4) . .
C24 N1 U1 K1 136.6(5) . .
C15 N4 U1 O1 -101.5(6) . .
C16 N4 U1 O1 83.4(7) . .
C15 N4 U1 N3 -7.2(6) . .
C16 N4 U1 N3 177.6(8) . .
C15 N4 U1 N2 18.4(7) . .
C16 N4 U1 N2 -156.7(7) . .
C15 N4 U1 O2 171.2(7) . .
C16 N4 U1 O2 -3.9(7) . .
C15 N4 U1 N1 115.8(6) . .
C16 N4 U1 N1 -59.4(8) . .
C15 N4 U1 K1 36.3(6) . .
C16 N4 U1 K1 -138.8(7) . .
C5 K1 U1 O1 -133.0(3) 7_565 .
C5 K1 U1 O1 -29.3(3) . .
C11 K1 U1 O1 134.4(4) 7_565 .
C11 K1 U1 O1 29.9(3) . .
B1 K1 U1 O1 -179.6(3) . .
N3 K1 U1 O1 148.7(2) 7_565 .
N3 K1 U1 O1 50.6(3) . .
N2 K1 U1 O1 -147.7(2) 7_565 .
N2 K1 U1 O1 -49.9(3) . .
C4 K1 U1 O1 -98.5(3) 7_565 .
C4 K1 U1 O1 -45.8(3) . .
C12 K1 U1 O1 99.9(4) 7_565 .
C5 K1 U1 N3 176.4(3) 7_565 .
C5 K1 U1 N3 -79.9(3) . .
C11 K1 U1 N3 83.8(4) 7_565 .
C11 K1 U1 N3 -20.7(3) . .
B1 K1 U1 N3 129.8(3) . .
N3 K1 U1 N3 98.1(3) 7_565 .
N2 K1 U1 N3 161.7(2) 7_565 .
N2 K1 U1 N3 -100.5(3) . .
C4 K1 U1 N3 -149.1(3) 7_565 .
C4 K1 U1 N3 -96.4(3) . .
C12 K1 U1 N3 49.3(4) 7_565 .
C5 K1 U1 N2 -83.1(3) 7_565 .
C5 K1 U1 N2 20.6(3) . .
C11 K1 U1 N2 -175.7(4) 7_565 .
C11 K1 U1 N2 79.8(3) . .
B1 K1 U1 N2 -129.7(3) . .
N3 K1 U1 N2 -161.4(2) 7_565 .
N3 K1 U1 N2 100.5(3) . .
N2 K1 U1 N2 -97.8(3) 7_565 .
C4 K1 U1 N2 -48.6(3) 7_565 .
C4 K1 U1 N2 4.1(2) . .
C12 K1 U1 N2 149.8(4) 7_565 .
C5 K1 U1 O2 47.8(3) 7_565 .
C5 K1 U1 O2 151.5(2) . .
C11 K1 U1 O2 -44.8(4) 7_565 .
C11 K1 U1 O2 -149.3(2) . .
B1 K1 U1 O2 1.2(3) . .
N3 K1 U1 O2 -30.5(2) 7_565 .
N3 K1 U1 O2 -128.6(2) . .
N2 K1 U1 O2 33.1(2) 7_565 .
N2 K1 U1 O2 130.9(2) . .
C4 K1 U1 O2 82.4(3) 7_565 .
C4 K1 U1 O2 135.0(2) . .
C12 K1 U1 O2 -79.3(3) 7_565 .
C5 K1 U1 N1 -22.8(3) 7_565 .
C5 K1 U1 N1 80.9(2) . .
C11 K1 U1 N1 -115.4(3) 7_565 .
C11 K1 U1 N1 140.1(2) . .
B1 K1 U1 N1 -69.4(3) . .
N3 K1 U1 N1 -101.09(19) 7_565 .
N3 K1 U1 N1 160.8(2) . .
N2 K1 U1 N1 -37.48(18) 7_565 .
N2 K1 U1 N1 60.3(2) . .
C4 K1 U1 N1 11.7(3) 7_565 .
C4 K1 U1 N1 64.4(2) . .
C12 K1 U1 N1 -149.9(3) 7_565 .
C5 K1 U1 N4 115.7(3) 7_565 .
C5 K1 U1 N4 -140.6(2) . .
C11 K1 U1 N4 23.1(3) 7_565 .
C11 K1 U1 N4 -81.4(2) . .
B1 K1 U1 N4 69.1(3) . .
N3 K1 U1 N4 37.4(2) 7_565 .
N3 K1 U1 N4 -60.7(2) . .
N2 K1 U1 N4 101.03(19) 7_565 .
N2 K1 U1 N4 -161.2(2) . .
C4 K1 U1 N4 150.3(3) 7_565 .
C4 K1 U1 N4 -157.1(2) . .
C12 K1 U1 N4 -11.4(3) 7_565 .
