#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/55/7105505.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_7105505
loop_
_publ_author_name
'Lam, Oanh P.'
'Bart, Suzanne C.'
'Kameo, Hajime'
'Heinemann, Frank W.'
'Meyer, Karsten'
_publ_section_title
;
 Insights into the mechanism of carbonate formation through reductive
 cleavage of carbon dioxide with low-valent uranium centers
;
_journal_issue                   18
_journal_name_full               'Chemical Communications'
_journal_page_first              3137
_journal_page_last               3139
_journal_paper_doi               10.1039/b927142b
_journal_volume                  46
_journal_year                    2010
_chemical_formula_moiety         'C117 H152 N2 O13 U2, 3(C4 H10 O2)'
_chemical_formula_sum            'C129 H182 N2 O19 U2'
_chemical_formula_weight         2540.83
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 116.041(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.680(3)
_cell_length_b                   24.539(4)
_cell_length_c                   25.430(8)
_cell_measurement_reflns_used    210
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      20.00
_cell_measurement_theta_min      6.00
_cell_volume                     12716(5)
_computing_cell_refinement       'EVALCCD (Duisenberg, 2003)'
_computing_data_collection       'COLLECT (Bruker-Nonius, 2002)'
_computing_data_reduction        'EVALCCD (Duisenberg, 2003)'
_computing_molecular_graphics    'SHELXTL 6.12 (Bruker AXS, 2002)'
_computing_publication_material  'SHELXTL 6.12 (Bruker AXS, 2002)'
_computing_structure_refinement  'SHELXTL 6.12 (Bruker AXS, 2002)'
_computing_structure_solution    'SHELXTL 6.12 (Bruker AXS, 2002)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker-Nonius KappaCCD'
_diffrn_measurement_method
;
φ- and ω-rotations with 1.30 ° and 325 sec per frame
;
_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  0.0655
_diffrn_reflns_av_sigmaI/netI    0.0526
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            152032
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.32
_exptl_absorpt_coefficient_mu    2.606
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.691
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker-AXS, 2002'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5224
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.990
_refine_diff_density_min         -2.498
_refine_diff_density_rms         0.203
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.245
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1439
_refine_ls_number_reflns         25808
_refine_ls_number_restraints     261
_refine_ls_restrained_S_all      1.245
_refine_ls_R_factor_all          0.1143
_refine_ls_R_factor_gt           0.0588
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0112P)²+187.4647P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1245
_refine_ls_wR_factor_ref         0.1619
_reflns_number_gt                17947
_reflns_number_total             25808
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b927142b.txt
_cod_data_source_block           opl0917
_cod_original_sg_symbol_Hall     -P2ybc
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7105505
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
U1 U 0.258004(14) 0.622864(12) 0.231985(13) 0.01876(8) Uani 1 1 d . . .
O1 O 0.2403(3) 0.6982(2) 0.1833(2) 0.0225(12) Uani 1 1 d . . .
O2 O 0.2257(3) 0.6666(2) 0.2903(2) 0.0222(12) Uani 1 1 d . . .
O3 O 0.2320(3) 0.5590(2) 0.1666(2) 0.0234(12) Uani 1 1 d . . .
O4 O 0.3413(3) 0.6267(2) 0.1818(3) 0.0269(13) Uani 1 1 d . . .
O5 O 0.3786(3) 0.6529(3) 0.2936(3) 0.0312(14) Uani 1 1 d . . .
O6 O 0.2102(3) 0.5518(2) 0.2665(2) 0.0247(13) Uani 1 1 d . . .
O7 O 0.3180(3) 0.5537(2) 0.3047(3) 0.0255(13) Uani 1 1 d . . .
N1 N 0.1339(3) 0.6306(3) 0.1633(3) 0.0209(14) Uani 1 1 d . . .
C1 C 0.1250(4) 0.6489(4) 0.1045(4) 0.0258(18) Uani 1 1 d . . .
H1A H 0.0792 0.6412 0.0759 0.031 Uiso 1 1 calc R . .
H1B H 0.1541 0.6268 0.0931 0.031 Uiso 1 1 calc R . .
C2 C 0.1390(4) 0.7084(4) 0.0998(4) 0.0265(19) Uani 1 1 d . . .
C3 C 0.1978(4) 0.7319(4) 0.1412(4) 0.0240(18) Uani 1 1 d . . .
C4 C 0.2085(4) 0.7877(3) 0.1392(4) 0.0250(18) Uani 1 1 d . . .
C5 C 0.1615(5) 0.8171(4) 0.0916(4) 0.032(2) Uani 1 1 d . . .
H5A H 0.1691 0.8548 0.0887 0.039 Uiso 1 1 calc R . .
C6 C 0.1048(5) 0.7942(4) 0.0486(4) 0.034(2) Uani 1 1 d . . .
C7 C 0.0938(4) 0.7397(4) 0.0543(4) 0.032(2) Uani 1 1 d . . .
H7A H 0.0546 0.7232 0.0265 0.038 Uiso 1 1 calc R . .
C8 C 0.1048(4) 0.6709(3) 0.1893(4) 0.0249(18) Uani 1 1 d . . .
H8A H 0.0578 0.6753 0.1619 0.030 Uiso 1 1 calc R . .
H8B H 0.1264 0.7065 0.1918 0.030 Uiso 1 1 calc R . .
C9 C 0.1095(4) 0.6578(3) 0.2484(4) 0.0223(17) Uani 1 1 d . . .
C10 C 0.1707(4) 0.6608(3) 0.2993(4) 0.0232(17) Uani 1 1 d . . .
C11 C 0.1716(4) 0.6593(3) 0.3549(4) 0.0243(18) Uani 1 1 d . . .
C12 C 0.1119(4) 0.6488(4) 0.3574(4) 0.030(2) Uani 1 1 d . . .
H12A H 0.1123 0.6468 0.3948 0.036 Uiso 1 1 calc R . .
C13 C 0.0523(4) 0.6412(4) 0.3084(4) 0.0273(19) Uani 1 1 d . . .
C14 C 0.0521(4) 0.6471(4) 0.2543(4) 0.030(2) Uani 1 1 d . . .
H14A H 0.0117 0.6438 0.2201 0.036 Uiso 1 1 calc R . .
C15 C 0.0992(4) 0.5778(4) 0.1558(4) 0.0255(18) Uani 1 1 d . . .
H15A H 0.0517 0.5844 0.1321 0.031 Uiso 1 1 calc R . .
H15B H 0.1053 0.5652 0.1948 0.031 Uiso 1 1 calc R . .
C16 C 0.1199(4) 0.5319(3) 0.1271(4) 0.0217(17) Uani 1 1 d . . .
C17 C 0.1849(4) 0.5221(3) 0.1363(4) 0.0218(17) Uani 1 1 d . . .
C18 C 0.1999(4) 0.4735(4) 0.1151(4) 0.0260(19) Uani 1 1 d . . .
C19 C 0.1488(4) 0.4382(4) 0.0826(4) 0.0269(19) Uani 1 1 d . . .
H19A H 0.1587 0.4053 0.0686 0.032 Uiso 1 1 calc R . .
C20 C 0.0839(4) 0.4491(4) 0.0699(4) 0.030(2) Uani 1 1 d . . .
C21 C 0.0704(4) 0.4954(4) 0.0934(4) 0.029(2) Uani 1 1 d . . .
H21A H 0.0265 0.5026 0.0865 0.035 Uiso 1 1 calc R . .
C22 C 0.2651(4) 0.8171(3) 0.1906(4) 0.0281(19) Uani 1 1 d . . .
C23 C 0.3231(6) 0.9071(4) 0.2298(5) 0.053(3) Uani 1 1 d . . .
H23A H 0.3233 0.9469 0.2214 0.063 Uiso 1 1 calc R . .
C24 C 0.3880(5) 0.8211(5) 0.2526(5) 0.052(3) Uani 1 1 d . . .
H24A H 0.4308 0.8043 0.2592 0.063 Uiso 1 1 calc R . .
C25 C 0.3121(7) 0.8383(5) 0.2982(5) 0.055(3) Uani 1 1 d . . .
H25A H 0.3059 0.8336 0.3345 0.066 Uiso 1 1 calc R . .
C26 C 0.2677(5) 0.8786(4) 0.1780(5) 0.040(2) Uani 1 1 d . . .
H26A H 0.2748 0.8831 0.1425 0.048 Uiso 1 1 calc R . .
H26B H 0.2253 0.8958 0.1705 0.048 Uiso 1 1 calc R . .
C27 C 0.3890(6) 0.8814(5) 0.2398(6) 0.064(4) Uani 1 1 d . . .
H27A H 0.3964 0.8863 0.2045 0.076 Uiso 1 1 calc R . .
H27B H 0.4252 0.8995 0.2731 0.076 Uiso 1 1 calc R . .
C28 C 0.3764(6) 0.8129(5) 0.3067(5) 0.061(4) Uani 1 1 d . . .
H28A H 0.3758 0.7735 0.3145 0.073 Uiso 1 1 calc R . .
H28B H 0.4128 0.8297 0.3410 0.073 Uiso 1 1 calc R . .
C29 C 0.2561(5) 0.8104(4) 0.2466(4) 0.039(2) Uani 1 1 d . . .
H29A H 0.2137 0.8266 0.2407 0.047 Uiso 1 1 calc R . .
H29B H 0.2552 0.7711 0.2552 0.047 Uiso 1 1 calc R . .
C30 C 0.3133(7) 0.8989(5) 0.2848(6) 0.063(4) Uani 1 1 d . . .
H30A H 0.2714 0.9159 0.2793 0.075 Uiso 1 1 calc R . .
H30B H 0.3493 0.9170 0.3183 0.075 Uiso 1 1 calc R . .
C31 C 0.3322(4) 0.7935(4) 0.2003(4) 0.035(2) Uani 1 1 d . . .
H31A H 0.3329 0.7538 0.2075 0.042 Uiso 1 1 calc R . .
H31B H 0.3387 0.7992 0.1646 0.042 Uiso 1 1 calc R . .
C32 C 0.0560(5) 0.8280(5) -0.0018(5) 0.050(3) Uani 1 1 d . . .
H32A H 0.0290 0.8039 -0.0342 0.076 Uiso 1 1 calc R . .
H32B H 0.0798 0.8536 -0.0151 0.076 Uiso 1 1 calc R . .
H32C H 0.0277 0.8483 0.0113 0.076 Uiso 1 1 calc R . .
C33 C 0.2333(4) 0.6713(4) 0.4124(4) 0.0228(18) Uani 1 1 d . . .
C34 C 0.2782(5) 0.6882(5) 0.5222(4) 0.043(3) Uani 1 1 d . . .
H34A H 0.2658 0.6902 0.5553 0.051 Uiso 1 1 calc R . .
C35 C 0.3256(5) 0.7398(4) 0.4655(4) 0.039(2) Uani 1 1 d . . .
H35A H 0.3447 0.7754 0.4616 0.046 Uiso 1 1 calc R . .
C36 C 0.3476(4) 0.6395(4) 0.4829(4) 0.036(2) Uani 1 1 d . . .
H36A H 0.3812 0.6103 0.4908 0.043 Uiso 1 1 calc R . .
C37 C 0.2176(4) 0.6742(4) 0.4649(4) 0.034(2) Uani 1 1 d . . .
H37A H 0.1997 0.6387 0.4694 0.041 Uiso 1 1 calc R . .
H37B H 0.1834 0.7022 0.4574 0.041 Uiso 1 1 calc R . .
C38 C 0.3068(5) 0.7432(5) 0.5152(5) 0.047(3) Uani 1 1 d . . .
H38A H 0.2738 0.7723 0.5073 0.057 Uiso 1 1 calc R . .
H38B H 0.3459 0.7523 0.5518 0.057 Uiso 1 1 calc R . .
C39 C 0.3769(5) 0.6949(5) 0.4784(5) 0.041(2) Uani 1 1 d . . .
H39A H 0.4158 0.7029 0.5156 0.049 Uiso 1 1 calc R . .
H39B H 0.3911 0.6935 0.4468 0.049 Uiso 1 1 calc R . .
C40 C 0.2874(4) 0.6269(4) 0.4258(4) 0.033(2) Uani 1 1 d . . .
H40A H 0.2696 0.5908 0.4288 0.039 Uiso 1 1 calc R . .
H40B H 0.3002 0.6254 0.3933 0.039 Uiso 1 1 calc R . .
C41 C 0.3292(5) 0.6424(5) 0.5336(4) 0.042(3) Uani 1 1 d . . .
H41A H 0.3688 0.6497 0.5704 0.051 Uiso 1 1 calc R . .
H41B H 0.3105 0.6070 0.5377 0.051 Uiso 1 1 calc R . .
C42 C 0.2638(5) 0.7271(4) 0.4071(4) 0.029(2) Uani 1 1 d . . .
H42A H 0.2763 0.7255 0.3745 0.035 Uiso 1 1 calc R . .
H42B H 0.2309 0.7565 0.3987 0.035 Uiso 1 1 calc R . .
C43 C -0.0095(4) 0.6282(5) 0.3143(5) 0.045(3) Uani 1 1 d . . .
H43A H -0.0478 0.6374 0.2777 0.067 Uiso 1 1 calc R . .
H43B H -0.0104 0.6495 0.3465 0.067 Uiso 1 1 calc R . .
H43C H -0.0104 0.5892 0.3224 0.067 Uiso 1 1 calc R . .
C44 C 0.2713(4) 0.4582(4) 0.1283(4) 0.0267(14) Uani 1 1 d U . .
C45 C 0.3465(4) 0.3876(4) 0.1147(4) 0.0350(16) Uani 1 1 d U . .
H45A H 0.3461 0.3519 0.0956 0.042 Uiso 1 1 calc R . .
C46 C 0.3852(4) 0.4380(4) 0.2100(4) 0.0327(16) Uani 1 1 d U . .
H46A H 0.4114 0.4353 0.2534 0.039 Uiso 1 1 calc R . .
C47 C 0.3740(4) 0.4864(4) 0.1193(4) 0.0341(16) Uani 1 1 d U . .
H47A H 0.3932 0.5151 0.1035 0.041 Uiso 1 1 calc R . .
C48 C 0.2744(4) 0.4058(3) 0.0999(4) 0.0271(16) Uani 1 1 d U . .
H48A H 0.2494 0.4097 0.0569 0.033 Uiso 1 1 calc R . .
H48B H 0.2531 0.3769 0.1127 0.033 Uiso 1 1 calc R . .
C49 C 0.3869(4) 0.3829(4) 0.1816(4) 0.0355(17) Uani 1 1 d U . .
H49A H 0.4329 0.3731 0.1911 0.043 Uiso 1 1 calc R . .
H49B H 0.3683 0.3540 0.1970 0.043 Uiso 1 1 calc R . .
C50 C 0.4144(4) 0.4830(4) 0.1859(4) 0.0353(17) Uani 1 1 d U . .
H50A H 0.4132 0.5185 0.2040 0.042 Uiso 1 1 calc R . .
H50B H 0.4606 0.4744 0.1956 0.042 Uiso 1 1 calc R . .
C51 C 0.3024(4) 0.5018(4) 0.1047(4) 0.0306(16) Uani 1 1 d U . .
H51A H 0.3016 0.5376 0.1224 0.037 Uiso 1 1 calc R . .
H51B H 0.2766 0.5050 0.0618 0.037 Uiso 1 1 calc R . .
C52 C 0.3760(5) 0.4315(4) 0.0915(4) 0.0371(17) Uani 1 1 d U . .
H52A H 0.3509 0.4340 0.0484 0.045 Uiso 1 1 calc R . .
H52B H 0.4219 0.4221 0.1008 0.045 Uiso 1 1 calc R . .
C53 C 0.3140(4) 0.4528(4) 0.1955(4) 0.0280(16) Uani 1 1 d U . .
H53A H 0.3133 0.4876 0.2148 0.034 Uiso 1 1 calc R . .
H53B H 0.2952 0.4242 0.2111 0.034 Uiso 1 1 calc R . .
C54 C 0.0295(5) 0.4098(5) 0.0320(5) 0.046(3) Uani 1 1 d . . .
H54A H -0.0133 0.4257 0.0239 0.069 Uiso 1 1 calc R . .
H54B H 0.0348 0.3752 0.0527 0.069 Uiso 1 1 calc R . .
H54C H 0.0321 0.4035 -0.0050 0.069 Uiso 1 1 calc R . .
C55 C 0.3167(6) 0.6451(4) 0.1228(4) 0.041(2) Uani 1 1 d . . .
H55A H 0.3432 0.6296 0.1047 0.062 Uiso 1 1 calc R . .
H55B H 0.3190 0.6850 0.1222 0.062 Uiso 1 1 calc R . .
H55C H 0.2710 0.6334 0.1009 0.062 Uiso 1 1 calc R . .
C56 C 0.4079(5) 0.6426(4) 0.2163(5) 0.041(3) Uani 1 1 d . . .
H56A H 0.4126 0.6825 0.2134 0.049 Uiso 1 1 calc R . .
H56B H 0.4370 0.6240 0.2021 0.049 Uiso 1 1 calc R . .
C57 C 0.4259(5) 0.6272(5) 0.2771(5) 0.042(3) Uani 1 1 d . . .
H57A H 0.4245 0.5871 0.2806 0.050 Uiso 1 1 calc R . .
H57B H 0.4709 0.6399 0.3029 0.050 Uiso 1 1 calc R . .
C58 C 0.4014(5) 0.6558(5) 0.3559(4) 0.046(3) Uani 1 1 d . . .
H58A H 0.4414 0.6779 0.3732 0.069 Uiso 1 1 calc R . .
H58B H 0.4109 0.6189 0.3725 0.069 Uiso 1 1 calc R . .
H58C H 0.3674 0.6724 0.3647 0.069 Uiso 1 1 calc R . .
C59 C 0.2650(4) 0.5307(4) 0.2995(4) 0.0257(19) Uani 1 1 d . . .
U2 U 0.249252(14) 0.411508(12) 0.367409(14) 0.02056(8) Uani 1 1 d . . .
O8 O 0.2675(3) 0.4847(3) 0.3261(3) 0.0353(15) Uani 1 1 d . . .
O9 O 0.2667(3) 0.3430(2) 0.4257(3) 0.0238(13) Uani 1 1 d . . .
O10 O 0.2627(3) 0.4613(3) 0.4422(3) 0.0292(14) Uani 1 1 d . . .
O11 O 0.2870(3) 0.3623(2) 0.3186(3) 0.0257(13) Uani 1 1 d . . .
O12 O 0.1463(3) 0.3834(3) 0.2722(3) 0.0346(15) Uani 1 1 d . . .
O13 O 0.1339(3) 0.4597(3) 0.3399(3) 0.0392(17) Uani 1 1 d . . .
N2 N 0.3741(3) 0.4159(3) 0.4270(3) 0.0230(15) Uani 1 1 d . . .
C61 C 0.4020(4) 0.3726(4) 0.4725(4) 0.0289(19) Uani 1 1 d . . .
H61A H 0.3951 0.3844 0.5066 0.035 Uiso 1 1 calc R . .
H61B H 0.4500 0.3720 0.4853 0.035 Uiso 1 1 calc R . .
C62 C 0.3778(5) 0.3149(4) 0.4587(4) 0.035(2) Uani 1 1 d . . .
C63 C 0.3118(4) 0.3019(4) 0.4439(4) 0.0257(18) Uani 1 1 d . . .
C64 C 0.2927(5) 0.2470(4) 0.4475(4) 0.032(2) Uani 1 1 d . . .
C65 C 0.3405(5) 0.2070(5) 0.4581(7) 0.060(4) Uani 1 1 d . . .
H65A H 0.3287 0.1700 0.4592 0.072 Uiso 1 1 calc R . .
C66 C 0.4040(6) 0.2183(5) 0.4670(8) 0.073(5) Uani 1 1 d . . .
C67 C 0.4220(5) 0.2725(5) 0.4690(6) 0.054(3) Uani 1 1 d . . .
H67A H 0.4662 0.2809 0.4778 0.065 Uiso 1 1 calc R . .
C68 C 0.3913(4) 0.4706(4) 0.4562(4) 0.031(2) Uani 1 1 d . . .
H68A H 0.4392 0.4762 0.4710 0.037 Uiso 1 1 calc R . .
H68B H 0.3690 0.4990 0.4263 0.037 Uiso 1 1 calc R . .
C69 C 0.3736(4) 0.4790(4) 0.5058(4) 0.029(2) Uani 1 1 d . . .
C70 C 0.3074(4) 0.4741(4) 0.4974(4) 0.0253(18) Uani 1 1 d . . .
C71 C 0.2925(4) 0.4816(3) 0.5456(4) 0.0259(19) Uani 1 1 d . . .
C72 C 0.3439(4) 0.4966(4) 0.5989(4) 0.030(2) Uani 1 1 d . . .
H72A H 0.3343 0.5026 0.6313 0.036 Uiso 1 1 calc R . .
C73 C 0.4088(4) 0.5032(4) 0.6076(4) 0.032(2) Uani 1 1 d . . .
C74 C 0.4227(4) 0.4937(4) 0.5607(4) 0.034(2) Uani 1 1 d . . .
H74A H 0.4667 0.4972 0.5659 0.041 Uiso 1 1 calc R . .
C75 C 0.4048(4) 0.4146(4) 0.3854(4) 0.0282(19) Uani 1 1 d . . .
H75A H 0.3828 0.4424 0.3548 0.034 Uiso 1 1 calc R . .
H75B H 0.4513 0.4255 0.4072 0.034 Uiso 1 1 calc R . .
C76 C 0.4025(4) 0.3620(4) 0.3560(4) 0.029(2) Uani 1 1 d . . .
C77 C 0.3415(4) 0.3368(4) 0.3206(4) 0.0252(18) Uani 1 1 d . . .
C78 C 0.3386(4) 0.2884(4) 0.2902(4) 0.029(2) Uani 1 1 d . . .
C79 C 0.3988(5) 0.2657(5) 0.2977(4) 0.040(2) Uani 1 1 d . . .
H79A H 0.3980 0.2327 0.2779 0.047 Uiso 1 1 calc R . .
C80 C 0.4592(5) 0.2892(5) 0.3326(5) 0.043(3) Uani 1 1 d . . .
C81 C 0.4600(4) 0.3374(4) 0.3612(4) 0.031(2) Uani 1 1 d . . .
H81A H 0.5010 0.3541 0.3849 0.037 Uiso 1 1 calc R . .
C82 C 0.2238(4) 0.2327(4) 0.4415(4) 0.0269(19) Uani 1 1 d . . .
C83 C 0.1515(5) 0.1588(4) 0.4520(4) 0.033(2) Uani 1 1 d . . .
H83A H 0.1501 0.1197 0.4626 0.040 Uiso 1 1 calc R . .
C84 C 0.1020(5) 0.2283(4) 0.3729(4) 0.034(2) Uani 1 1 d . . .
H84A H 0.0686 0.2349 0.3317 0.041 Uiso 1 1 calc R . .
C85 C 0.1388(5) 0.2545(4) 0.4773(4) 0.032(2) Uani 1 1 d . . .
H85A H 0.1291 0.2781 0.5046 0.039 Uiso 1 1 calc R . .
C86 C 0.2201(4) 0.1718(4) 0.4564(4) 0.034(2) Uani 1 1 d . . .
H86A H 0.2288 0.1483 0.4290 0.041 Uiso 1 1 calc R . .
H86B H 0.2539 0.1640 0.4966 0.041 Uiso 1 1 calc R . .
C87 C 0.1007(5) 0.1682(4) 0.3887(4) 0.037(2) Uani 1 1 d . . .
H87A H 0.0564 0.1585 0.3844 0.044 Uiso 1 1 calc R . .
H87B H 0.1108 0.1448 0.3620 0.044 Uiso 1 1 calc R . .
C88 C 0.0881(4) 0.2652(4) 0.4146(4) 0.034(2) Uani 1 1 d . . .
H88A H 0.0900 0.3038 0.4044 0.041 Uiso 1 1 calc R . .
H88B H 0.0435 0.2577 0.4109 0.041 Uiso 1 1 calc R . .
C89 C 0.2082(4) 0.2678(4) 0.4835(4) 0.029(2) Uani 1 1 d . . .
H89A H 0.2106 0.3069 0.4747 0.035 Uiso 1 1 calc R . .
H89B H 0.2411 0.2609 0.5243 0.035 Uiso 1 1 calc R . .
C90 C 0.1363(5) 0.1948(4) 0.4929(4) 0.033(2) Uani 1 1 d . . .
H90A H 0.1688 0.1881 0.5338 0.039 Uiso 1 1 calc R . .
H90B H 0.0922 0.1859 0.4894 0.039 Uiso 1 1 calc R . .
C91 C 0.1710(5) 0.2413(4) 0.3786(4) 0.032(2) Uani 1 1 d . . .
H91A H 0.1805 0.2175 0.3518 0.039 Uiso 1 1 calc R . .
H91B H 0.1723 0.2795 0.3669 0.039 Uiso 1 1 calc R . .
C93 C 0.2216(4) 0.4752(3) 0.5379(4) 0.0253(18) Uani 1 1 d . . .
C92 C 0.4523(8) 0.1733(7) 0.4753(9) 0.093(5) Uani 1 1 d U . .
H92A H 0.4285 0.1396 0.4579 0.139 Uiso 1 1 calc R . .
H92B H 0.4798 0.1676 0.5172 0.139 Uiso 1 1 calc R . .
H92C H 0.4801 0.1833 0.4563 0.139 Uiso 1 1 calc R . .
C94 C 0.1442(5) 0.4758(5) 0.5860(4) 0.039(2) Uani 1 1 d . . .
H94A H 0.1420 0.4799 0.6242 0.047 Uiso 1 1 calc R . .
C95 C 0.1068(4) 0.5142(4) 0.4870(5) 0.036(2) Uani 1 1 d . . .
H95A H 0.0794 0.5432 0.4594 0.043 Uiso 1 1 calc R . .
C96 C 0.1218(4) 0.4133(4) 0.5026(4) 0.034(2) Uani 1 1 d . . .
H96A H 0.1040 0.3769 0.4853 0.040 Uiso 1 1 calc R . .
C97 C 0.2164(4) 0.4811(4) 0.5965(4) 0.033(2) Uani 1 1 d . . .
H97A H 0.2432 0.4526 0.6242 0.040 Uiso 1 1 calc R . .
H97B H 0.2338 0.5171 0.6141 0.040 Uiso 1 1 calc R . .
C98 C 0.1030(5) 0.5201(4) 0.5444(5) 0.039(2) Uani 1 1 d . . .
H98A H 0.0568 0.5168 0.5381 0.047 Uiso 1 1 calc R . .
H98B H 0.1195 0.5564 0.5615 0.047 Uiso 1 1 calc R . .
C99 C 0.0814(4) 0.4582(4) 0.4603(4) 0.035(2) Uani 1 1 d . . .
H99A H 0.0846 0.4546 0.4228 0.042 Uiso 1 1 calc R . .
H99B H 0.0346 0.4545 0.4520 0.042 Uiso 1 1 calc R . .
C100 C 0.1939(4) 0.4176(4) 0.5138(4) 0.030(2) Uani 1 1 d . . .
H10A H 0.1974 0.4110 0.4769 0.036 Uiso 1 1 calc R . .
H10B H 0.2201 0.3895 0.5424 0.036 Uiso 1 1 calc R . .
C101 C 0.1173(5) 0.4197(4) 0.5603(5) 0.038(2) Uani 1 1 d . . .
H10C H 0.1431 0.3908 0.5880 0.045 Uiso 1 1 calc R . .
H10D H 0.0710 0.4164 0.5537 0.045 Uiso 1 1 calc R . .
C102 C 0.1780(4) 0.5200(4) 0.4965(4) 0.032(2) Uani 1 1 d . . .
H10E H 0.1950 0.5562 0.5135 0.039 Uiso 1 1 calc R . .
H10F H 0.1798 0.5174 0.4584 0.039 Uiso 1 1 calc R . .
C103 C 0.4616(4) 0.5201(4) 0.6662(4) 0.040(2) Uani 1 1 d . . .
H10G H 0.5006 0.4974 0.6760 0.059 Uiso 1 1 calc R . .
H10H H 0.4458 0.5155 0.6961 0.059 Uiso 1 1 calc R . .
H10I H 0.4729 0.5584 0.6646 0.059 Uiso 1 1 calc R . .
C104 C 0.2743(4) 0.2606(4) 0.2496(4) 0.030(2) Uani 1 1 d . . .
C105 C 0.2210(5) 0.1820(5) 0.1799(5) 0.048(3) Uani 1 1 d . . .
H10J H 0.2311 0.1484 0.1632 0.058 Uiso 1 1 calc R . .
C106 C 0.1663(6) 0.2192(6) 0.2367(5) 0.055(4) Uani 1 1 d . . .
H10K H 0.1389 0.2105 0.2576 0.066 Uiso 1 1 calc R . .
C107 C 0.1810(6) 0.1669(5) 0.2112(5) 0.051(3) Uani 1 1 d . . .
H10L H 0.2054 0.1407 0.2430 0.061 Uiso 1 1 calc R . .
H10M H 0.1394 0.1495 0.1836 0.061 Uiso 1 1 calc R . .
C108 C 0.2850(6) 0.2086(5) 0.2223(5) 0.057(3) Uani 1 1 d . . .
H10N H 0.3116 0.2171 0.2013 0.068 Uiso 1 1 calc R . .
H10O H 0.3100 0.1824 0.2539 0.068 Uiso 1 1 calc R . .
C109 C 0.1692(6) 0.2729(6) 0.1555(6) 0.062(4) Uani 1 1 d . . .
H10P H 0.1443 0.2990 0.1230 0.074 Uiso 1 1 calc R . .
C110 C 0.1305(5) 0.2601(5) 0.1877(6) 0.064(4) Uani 1 1 d . . .
H11A H 0.0875 0.2449 0.1603 0.077 Uiso 1 1 calc R . .
H11B H 0.1223 0.2940 0.2046 0.077 Uiso 1 1 calc R . .
C111 C 0.2353(6) 0.2985(5) 0.1978(5) 0.054(3) Uani 1 1 d . . .
H11C H 0.2616 0.3063 0.1763 0.065 Uiso 1 1 calc R . .
H11D H 0.2269 0.3335 0.2128 0.065 Uiso 1 1 calc R . .
C112 C 0.1831(6) 0.2214(6) 0.1308(5) 0.057(3) Uani 1 1 d . . .
H11E H 0.2090 0.2301 0.1091 0.068 Uiso 1 1 calc R . .
H11F H 0.1413 0.2044 0.1032 0.068 Uiso 1 1 calc R . .
C113 C 0.2331(5) 0.2442(5) 0.2804(5) 0.048(3) Uani 1 1 d . . .
H11G H 0.2250 0.2766 0.2995 0.057 Uiso 1 1 calc R . .
H11H H 0.2575 0.2172 0.3112 0.057 Uiso 1 1 calc R . .
C114 C 0.5216(5) 0.2625(6) 0.3374(6) 0.074(5) Uani 1 1 d . . .
H11I H 0.5525 0.2907 0.3379 0.111 Uiso 1 1 calc R . .
H11J H 0.5113 0.2384 0.3038 0.111 Uiso 1 1 calc R . .
H11K H 0.5414 0.2412 0.3736 0.111 Uiso 1 1 calc R . .
C115 C 0.1378(6) 0.4129(5) 0.2210(4) 0.049(3) Uani 1 1 d . . .
H11L H 0.0997 0.3985 0.1871 0.074 Uiso 1 1 calc R . .
H11M H 0.1771 0.4088 0.2145 0.074 Uiso 1 1 calc R . .
H11N H 0.1309 0.4515 0.2261 0.074 Uiso 1 1 calc R . .
C116 C 0.0888(5) 0.3817(4) 0.2833(5) 0.042(3) Uani 1 1 d . . .
H11O H 0.0969 0.3568 0.3164 0.051 Uiso 1 1 calc R . .
H11P H 0.0509 0.3676 0.2483 0.051 Uiso 1 1 calc R . .
C117 C 0.0735(4) 0.4371(5) 0.2974(5) 0.048(3) Uani 1 1 d . . .
H11Q H 0.0552 0.4600 0.2618 0.058 Uiso 1 1 calc R . .
H11R H 0.0410 0.4349 0.3136 0.058 Uiso 1 1 calc R . .
C118 C 0.1289(5) 0.5176(4) 0.3419(5) 0.041(2) Uani 1 1 d . . .
H11S H 0.0950 0.5270 0.3545 0.061 Uiso 1 1 calc R . .
H11T H 0.1170 0.5328 0.3029 0.061 Uiso 1 1 calc R . .
H11U H 0.1711 0.5327 0.3697 0.061 Uiso 1 1 calc R . .
C201 C -0.0572(8) 0.3592(9) 0.3335(8) 0.115(6) Uani 1 1 d DU . .
H20A H -0.0786 0.3950 0.3249 0.173 Uiso 1 1 calc R . .
H20B H -0.0166 0.3613 0.3699 0.173 Uiso 1 1 calc R . .
H20C H -0.0867 0.3323 0.3378 0.173 Uiso 1 1 calc R . .
O202 O -0.0426(7) 0.3436(7) 0.2878(6) 0.129(4) Uani 1 1 d DU . .
C203 C -0.0827(10) 0.3109(9) 0.2484(9) 0.116(4) Uani 1 1 d DU . .
H20D H -0.1266 0.3282 0.2323 0.139 Uiso 1 1 calc R . .
H20E H -0.0855 0.2775 0.2689 0.139 Uiso 1 1 calc R . .
C204 C -0.0715(11) 0.2942(8) 0.2002(9) 0.117(5) Uani 1 1 d DU . .
H20F H -0.0351 0.2675 0.2146 0.140 Uiso 1 1 calc R . .
H20G H -0.1112 0.2748 0.1722 0.140 Uiso 1 1 calc R . .
O205 O -0.0571(7) 0.3329(6) 0.1706(6) 0.113(4) Uani 1 1 d DU . .
C206 C -0.0578(12) 0.3170(9) 0.1174(9) 0.131(7) Uani 1 1 d DU . .
H20H H -0.0156 0.3259 0.1178 0.197 Uiso 1 1 calc R . .
H20I H -0.0930 0.3363 0.0852 0.197 Uiso 1 1 calc R . .
H20J H -0.0654 0.2776 0.1122 0.197 Uiso 1 1 calc R . .
C207 C 0.4517(10) 0.2595(9) 0.1152(10) 0.140(8) Uani 1 1 d U . .
H20K H 0.4160 0.2667 0.0764 0.211 Uiso 1 1 calc R . .
H20L H 0.4940 0.2654 0.1142 0.211 Uiso 1 1 calc R . .
H20M H 0.4479 0.2843 0.1438 0.211 Uiso 1 1 calc R . .
O208 O 0.4478(5) 0.2040(6) 0.1316(6) 0.102(4) Uani 1 1 d U . .
C209 C 0.3857(7) 0.1970(8) 0.1222(9) 0.105(4) Uani 1 1 d U . .
H20N H 0.3566 0.1950 0.0797 0.126 Uiso 1 1 calc R . .
H20O H 0.3712 0.2276 0.1390 0.126 Uiso 1 1 calc R . .
C210 C 0.3835(8) 0.1402(8) 0.1539(9) 0.106(4) Uani 1 1 d U . .
H21B H 0.3377 0.1303 0.1448 0.127 Uiso 1 1 calc R . .
H21C H 0.4032 0.1103 0.1407 0.127 Uiso 1 1 calc R . .
O211 O 0.4197(6) 0.1496(6) 0.2135(7) 0.116(4) Uani 1 1 d U . .
C212 C 0.4161(11) 0.0997(8) 0.2438(11) 0.125(7) Uani 1 1 d U . .
H21D H 0.3704 0.0875 0.2281 0.188 Uiso 1 1 calc R . .
H21E H 0.4328 0.1071 0.2858 0.188 Uiso 1 1 calc R . .
H21F H 0.4428 0.0712 0.2377 0.188 Uiso 1 1 calc R . .
C213 C -0.1220(19) 0.4990(18) 0.2596(16) 0.120(10) Uani 0.50 1 d PDU . .
H21G H -0.1621 0.5186 0.2341 0.180 Uiso 0.50 1 calc PR . .
H21H H -0.1019 0.5167 0.2981 0.180 Uiso 0.50 1 calc PR . .
H21I H -0.1330 0.4612 0.2641 0.180 Uiso 0.50 1 calc PR . .
O214 O -0.0785(13) 0.4996(12) 0.2351(12) 0.120(7) Uani 0.50 1 d PDU . .
C215 C -0.1031(18) 0.509(2) 0.1818(14) 0.134(7) Uani 0.50 1 d PDU . .
H21J H -0.1200 0.5473 0.1762 0.160 Uiso 0.50 1 calc PR . .
H21K H -0.1415 0.4852 0.1624 0.160 Uiso 0.50 1 calc PR . .
C216 C -0.0642(18) 0.5044(19) 0.1516(14) 0.137(8) Uani 0.50 1 d PDU . .
H21L H -0.0243 0.5268 0.1722 0.165 Uiso 0.50 1 calc PR . .
H21M H -0.0498 0.4659 0.1545 0.165 Uiso 0.50 1 calc PR . .
O217 O -0.0913(16) 0.5184(13) 0.0952(13) 0.152(8) Uani 0.50 1 d PDU . .
C218 C -0.1245(17) 0.4798(16) 0.0509(15) 0.109(9) Uani 0.50 1 d PDU . .
H21N H -0.1608 0.4640 0.0569 0.164 Uiso 0.50 1 calc PR . .
H21O H -0.0939 0.4509 0.0526 0.164 Uiso 0.50 1 calc PR . .
H21P H -0.1418 0.4977 0.0126 0.164 Uiso 0.50 1 calc PR . .
C219 C 0.273(2) 0.6135(13) -0.0566(19) 0.140(11) Uani 0.50 1 d PDU . .
H21Q H 0.3202 0.6180 -0.0317 0.210 Uiso 0.50 1 calc PR . .
H21R H 0.2492 0.6167 -0.0326 0.210 Uiso 0.50 1 calc PR . .
H21S H 0.2580 0.6418 -0.0868 0.210 Uiso 0.50 1 calc PR . .
O220 O 0.2617(16) 0.5638(11) -0.0823(13) 0.138(7) Uani 0.50 1 d PDU . .
C221 C 0.3108(18) 0.5316(13) -0.0594(15) 0.121(7) Uani 0.50 1 d PDU . .
H22A H 0.3248 0.5298 -0.0167 0.145 Uiso 0.50 1 calc PR . .
H22B H 0.3478 0.5470 -0.0655 0.145 Uiso 0.50 1 calc PR . .
C222 C 0.298(2) 0.4772(12) -0.0829(14) 0.119(7) Uani 0.50 1 d PDU . .
H22C H 0.3345 0.4531 -0.0582 0.143 Uiso 0.50 1 calc PR . .
H22D H 0.2574 0.4634 -0.0816 0.143 Uiso 0.50 1 calc PR . .
O223 O 0.2903(15) 0.4752(10) -0.1381(11) 0.122(7) Uani 0.50 1 d PDU . .
C224 C 0.291(2) 0.4221(13) -0.1579(17) 0.125(11) Uani 0.50 1 d PDU . .
H22E H 0.3101 0.3973 -0.1243 0.188 Uiso 0.50 1 calc PR . .
H22F H 0.3184 0.4213 -0.1792 0.188 Uiso 0.50 1 calc PR . .
H22G H 0.2466 0.4107 -0.1840 0.188 Uiso 0.50 1 calc PR . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O1 U1 O3 105.0(2) . . ?
O1 U1 O2 86.3(2) . . ?
O3 U1 O2 144.1(2) . . ?
O1 U1 O6 145.73(19) . . ?
O3 U1 O6 75.1(2) . . ?
O2 U1 O6 76.8(2) . . ?
O1 U1 O7 158.63(19) . . ?
O3 U1 O7 87.2(2) . . ?
O2 U1 O7 93.9(2) . . ?
O6 U1 O7 53.88(18) . . ?
O1 U1 N1 71.2(2) . . ?
O3 U1 N1 71.7(2) . . ?
O2 U1 N1 80.4(2) . . ?
O6 U1 N1 76.7(2) . . ?
O7 U1 N1 130.0(2) . . ?
O1 U1 O5 89.1(2) . . ?
O3 U1 O5 121.9(2) . . ?
O2 U1 O5 91.7(2) . . ?
O6 U1 O5 120.59(19) . . ?
O7 U1 O5 69.5(2) . . ?
N1 U1 O5 159.1(2) . . ?
O1 U1 O4 72.1(2) . . ?
O3 U1 O4 71.00(19) . . ?
O2 U1 O4 144.01(19) . . ?
O6 U1 O4 135.61(19) . . ?
O7 U1 O4 96.30(19) . . ?
N1 U1 O4 117.2(2) . . ?
O5 U1 O4 60.34(19) . . ?
O1 U1 C59 170.9(2) . . ?
O3 U1 C59 79.1(2) . . ?
O2 U1 C59 85.8(2) . . ?
O6 U1 C59 26.7(2) . . ?
O7 U1 C59 27.2(2) . . ?
N1 U1 C59 103.0(2) . . ?
O5 U1 C59 95.7(2) . . ?
O4 U1 C59 117.0(2) . . ?
C3 O1 U1 149.2(5) . . ?
C10 O2 U1 131.3(5) . . ?
C17 O3 U1 143.2(5) . . ?
C55 O4 C56 112.3(7) . . ?
C55 O4 U1 118.5(5) . . ?
C56 O4 U1 119.3(5) . . ?
C58 O5 C57 112.7(8) . . ?
C58 O5 U1 116.9(5) . . ?
C57 O5 U1 114.8(5) . . ?
C59 O6 U1 94.0(5) . . ?
C59 O7 U1 92.4(5) . . ?
C15 N1 C1 107.7(6) . . ?
C15 N1 C8 108.8(6) . . ?
C1 N1 C8 110.7(6) . . ?
C15 N1 U1 112.5(5) . . ?
C1 N1 U1 109.2(5) . . ?
C8 N1 U1 108.1(4) . . ?
N1 C1 C2 115.6(7) . . ?
N1 C1 H1A 108.4 . . ?
C2 C1 H1A 108.4 . . ?
N1 C1 H1B 108.4 . . ?
C2 C1 H1B 108.4 . . ?
H1A C1 H1B 107.5 . . ?
C7 C2 C3 120.3(8) . . ?
C7 C2 C1 119.8(8) . . ?
C3 C2 C1 120.0(7) . . ?
O1 C3 C4 123.4(8) . . ?
O1 C3 C2 116.7(8) . . ?
C4 C3 C2 119.8(8) . . ?
C3 C4 C5 117.1(8) . . ?
C3 C4 C22 121.3(7) . . ?
C5 C4 C22 121.2(8) . . ?
C6 C5 C4 123.9(9) . . ?
C6 C5 H5A 118.1 . . ?
C4 C5 H5A 118.1 . . ?
C7 C6 C5 117.2(8) . . ?
C7 C6 C32 121.3(9) . . ?
C5 C6 C32 121.5(9) . . ?
C6 C7 C2 121.4(9) . . ?
C6 C7 H7A 119.3 . . ?
C2 C7 H7A 119.3 . . ?
N1 C8 C9 117.0(7) . . ?
N1 C8 H8A 108.1 . . ?
C9 C8 H8A 108.1 . . ?
N1 C8 H8B 108.1 . . ?
C9 C8 H8B 108.1 . . ?
H8A C8 H8B 107.3 . . ?
C14 C9 C10 119.6(8) . . ?
C14 C9 C8 119.3(7) . . ?
C10 C9 C8 120.8(7) . . ?
O2 C10 C11 124.0(7) . . ?
O2 C10 C9 116.7(7) . . ?
C11 C10 C9 119.3(8) . . ?
C12 C11 C10 117.4(8) . . ?
C12 C11 C33 118.9(8) . . ?
C10 C11 C33 123.6(7) . . ?
C13 C12 C11 124.1(8) . . ?
C13 C12 H12A 117.9 . . ?
C11 C12 H12A 117.9 . . ?
C14 C13 C12 117.0(8) . . ?
C14 C13 C43 121.6(8) . . ?
C12 C13 C43 121.3(9) . . ?
C13 C14 C9 122.0(8) . . ?
C13 C14 H14A 119.0 . . ?
C9 C14 H14A 119.0 . . ?
N1 C15 C16 116.7(7) . . ?
N1 C15 H15A 108.1 . . ?
C16 C15 H15A 108.1 . . ?
N1 C15 H15B 108.1 . . ?
C16 C15 H15B 108.1 . . ?
H15A C15 H15B 107.3 . . ?
C21 C16 C17 119.6(8) . . ?
C21 C16 C15 115.7(7) . . ?
C17 C16 C15 124.6(7) . . ?
O3 C17 C16 119.2(7) . . ?
O3 C17 C18 121.4(7) . . ?
C16 C17 C18 119.4(7) . . ?
C19 C18 C17 118.4(8) . . ?
C19 C18 C44 119.9(8) . . ?
C17 C18 C44 121.7(8) . . ?
C20 C19 C18 122.8(8) . . ?
C20 C19 H19A 118.6 . . ?
C18 C19 H19A 118.6 . . ?
C21 C20 C19 118.1(8) . . ?
C21 C20 C54 121.4(8) . . ?
C19 C20 C54 120.4(8) . . ?
C20 C21 C16 121.5(8) . . ?
C20 C21 H21A 119.3 . . ?
C16 C21 H21A 119.3 . . ?
C29 C22 C31 109.6(8) . . ?
C29 C22 C4 109.5(7) . . ?
C31 C22 C4 110.7(7) . . ?
C29 C22 C26 109.1(8) . . ?
C31 C22 C26 105.9(7) . . ?
C4 C22 C26 111.9(7) . . ?
C30 C23 C26 109.5(10) . . ?
C30 C23 C27 108.4(11) . . ?
C26 C23 C27 109.0(10) . . ?
C30 C23 H23A 110.0 . . ?
C26 C23 H23A 110.0 . . ?
C27 C23 H23A 110.0 . . ?
C27 C24 C28 110.3(11) . . ?
C27 C24 C31 109.2(10) . . ?
C28 C24 C31 108.8(9) . . ?
C27 C24 H24A 109.5 . . ?
C28 C24 H24A 109.5 . . ?
C31 C24 H24A 109.5 . . ?
C28 C25 C30 108.7(11) . . ?
C28 C25 C29 108.9(10) . . ?
C30 C25 C29 109.4(10) . . ?
C28 C25 H25A 109.9 . . ?
C30 C25 H25A 109.9 . . ?
C29 C25 H25A 109.9 . . ?
C23 C26 C22 111.1(8) . . ?
C23 C26 H26A 109.4 . . ?
C22 C26 H26A 109.4 . . ?
C23 C26 H26B 109.4 . . ?
C22 C26 H26B 109.4 . . ?
H26A C26 H26B 108.0 . . ?
C24 C27 C23 109.4(10) . . ?
C24 C27 H27A 109.8 . . ?
C23 C27 H27A 109.8 . . ?
C24 C27 H27B 109.8 . . ?
C23 C27 H27B 109.8 . . ?
H27A C27 H27B 108.3 . . ?
C25 C28 C24 110.8(10) . . ?
C25 C28 H28A 109.5 . . ?
C24 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
C24 C28 H28B 109.5 . . ?
H28A C28 H28B 108.1 . . ?
C25 C29 C22 110.5(8) . . ?
C25 C29 H29A 109.6 . . ?
C22 C29 H29A 109.6 . . ?
C25 C29 H29B 109.6 . . ?
C22 C29 H29B 109.6 . . ?
H29A C29 H29B 108.1 . . ?
C23 C30 C25 111.0(10) . . ?
C23 C30 H30A 109.4 . . ?
C25 C30 H30A 109.4 . . ?
C23 C30 H30B 109.4 . . ?
C25 C30 H30B 109.4 . . ?
H30A C30 H30B 108.0 . . ?
C24 C31 C22 110.6(9) . . ?
C24 C31 H31A 109.5 . . ?
C22 C31 H31A 109.5 . . ?
C24 C31 H31B 109.5 . . ?
C22 C31 H31B 109.5 . . ?
H31A C31 H31B 108.1 . . ?
C6 C32 H32A 109.5 . . ?
C6 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C6 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C37 C33 C11 112.0(7) . . ?
C37 C33 C40 107.6(7) . . ?
C11 C33 C40 111.8(7) . . ?
C37 C33 C42 108.4(7) . . ?
C11 C33 C42 109.7(7) . . ?
C40 C33 C42 107.2(7) . . ?
C37 C34 C38 109.3(9) . . ?
C37 C34 C41 107.3(9) . . ?
C38 C34 C41 109.9(9) . . ?
C37 C34 H34A 110.1 . . ?
C38 C34 H34A 110.1 . . ?
C41 C34 H34A 110.1 . . ?
C38 C35 C39 109.2(9) . . ?
C38 C35 C42 110.1(8) . . ?
C39 C35 C42 110.0(8) . . ?
C38 C35 H35A 109.2 . . ?
C39 C35 H35A 109.2 . . ?
C42 C35 H35A 109.2 . . ?
C41 C36 C40 110.6(8) . . ?
C41 C36 C39 108.1(8) . . ?
C40 C36 C39 110.1(8) . . ?
C41 C36 H36A 109.4 . . ?
C40 C36 H36A 109.4 . . ?
C39 C36 H36A 109.4 . . ?
C33 C37 C34 112.6(7) . . ?
C33 C37 H37A 109.1 . . ?
C34 C37 H37A 109.1 . . ?
C33 C37 H37B 109.1 . . ?
C34 C37 H37B 109.1 . . ?
H37A C37 H37B 107.8 . . ?
C35 C38 C34 109.8(8) . . ?
C35 C38 H38A 109.7 . . ?
C34 C38 H38A 109.7 . . ?
C35 C38 H38B 109.7 . . ?
C34 C38 H38B 109.7 . . ?
H38A C38 H38B 108.2 . . ?
C35 C39 C36 109.9(8) . . ?
C35 C39 H39A 109.7 . . ?
C36 C39 H39A 109.7 . . ?
C35 C39 H39B 109.7 . . ?
C36 C39 H39B 109.7 . . ?
H39A C39 H39B 108.2 . . ?
C36 C40 C33 110.8(8) . . ?
C36 C40 H40A 109.5 . . ?
C33 C40 H40A 109.5 . . ?
C36 C40 H40B 109.5 . . ?
C33 C40 H40B 109.5 . . ?
H40A C40 H40B 108.1 . . ?
C36 C41 C34 109.6(8) . . ?
C36 C41 H41A 109.7 . . ?
C34 C41 H41A 109.7 . . ?
C36 C41 H41B 109.7 . . ?
C34 C41 H41B 109.7 . . ?
H41A C41 H41B 108.2 . . ?
C35 C42 C33 109.8(7) . . ?
C35 C42 H42A 109.7 . . ?
C33 C42 H42A 109.7 . . ?
C35 C42 H42B 109.7 . . ?
C33 C42 H42B 109.7 . . ?
H42A C42 H42B 108.2 . . ?
C13 C43 H43A 109.5 . . ?
C13 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C13 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C48 C44 C51 106.4(7) . . ?
C48 C44 C18 111.7(7) . . ?
C51 C44 C18 111.2(7) . . ?
C48 C44 C53 108.6(7) . . ?
C51 C44 C53 108.5(7) . . ?
C18 C44 C53 110.3(7) . . ?
C52 C45 C49 109.4(8) . . ?
C52 C45 C48 107.1(8) . . ?
C49 C45 C48 109.7(8) . . ?
C52 C45 H45A 110.2 . . ?
C49 C45 H45A 110.2 . . ?
C48 C45 H45A 110.2 . . ?
C53 C46 C49 109.6(7) . . ?
C53 C46 C50 108.9(8) . . ?
C49 C46 C50 109.7(8) . . ?
C53 C46 H46A 109.5 . . ?
C49 C46 H46A 109.5 . . ?
C50 C46 H46A 109.5 . . ?
C52 C47 C50 109.7(8) . . ?
C52 C47 C51 110.2(8) . . ?
C50 C47 C51 109.6(8) . . ?
C52 C47 H47A 109.1 . . ?
C50 C47 H47A 109.1 . . ?
C51 C47 H47A 109.1 . . ?
C44 C48 C45 113.2(7) . . ?
C44 C48 H48A 108.9 . . ?
C45 C48 H48A 108.9 . . ?
C44 C48 H48B 108.9 . . ?
C45 C48 H48B 108.9 . . ?
H48A C48 H48B 107.8 . . ?
C45 C49 C46 109.0(8) . . ?
C45 C49 H49A 109.9 . . ?
C46 C49 H49A 109.9 . . ?
C45 C49 H49B 109.9 . . ?
C46 C49 H49B 109.9 . . ?
H49A C49 H49B 108.3 . . ?
C47 C50 C46 108.9(8) . . ?
C47 C50 H50A 109.9 . . ?
C46 C50 H50A 109.9 . . ?
C47 C50 H50B 109.9 . . ?
C46 C50 H50B 109.9 . . ?
H50A C50 H50B 108.3 . . ?
C44 C51 C47 110.4(8) . . ?
C44 C51 H51A 109.6 . . ?
C47 C51 H51A 109.6 . . ?
C44 C51 H51B 109.6 . . ?
C47 C51 H51B 109.6 . . ?
H51A C51 H51B 108.1 . . ?
C45 C52 C47 109.7(8) . . ?
C45 C52 H52A 109.7 . . ?
C47 C52 H52A 109.7 . . ?
C45 C52 H52B 109.7 . . ?
C47 C52 H52B 109.7 . . ?
H52A C52 H52B 108.2 . . ?
C46 C53 C44 111.5(7) . . ?
C46 C53 H53A 109.3 . . ?
C44 C53 H53A 109.3 . . ?
C46 C53 H53B 109.3 . . ?
C44 C53 H53B 109.3 . . ?
H53A C53 H53B 108.0 . . ?
C20 C54 H54A 109.5 . . ?
C20 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C20 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
O4 C55 H55A 109.5 . . ?
O4 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
O4 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
O4 C56 C57 107.9(8) . . ?
O4 C56 H56A 110.1 . . ?
C57 C56 H56A 110.1 . . ?
O4 C56 H56B 110.1 . . ?
C57 C56 H56B 110.1 . . ?
H56A C56 H56B 108.4 . . ?
O5 C57 C56 107.0(8) . . ?
O5 C57 H57A 110.3 . . ?
C56 C57 H57A 110.3 . . ?
O5 C57 H57B 110.3 . . ?
C56 C57 H57B 110.3 . . ?
H57A C57 H57B 108.6 . . ?
O5 C58 H58A 109.5 . . ?
O5 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
O5 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
O6 C59 O7 119.6(8) . . ?
O6 C59 O8 120.3(8) . . ?
O7 C59 O8 120.0(8) . . ?
O6 C59 U1 59.3(4) . . ?
O7 C59 U1 60.5(4) . . ?
O8 C59 U1 173.9(6) . . ?
O9 U2 O11 87.7(2) . . ?
O9 U2 O10 85.7(2) . . ?
O11 U2 O10 151.8(2) . . ?
O9 U2 O8 160.5(2) . . ?
O11 U2 O8 88.7(2) . . ?
O10 U2 O8 88.6(2) . . ?
O9 U2 N2 78.7(2) . . ?
O11 U2 N2 75.5(2) . . ?
O10 U2 N2 76.4(2) . . ?
O8 U2 N2 81.8(2) . . ?
O9 U2 O12 104.5(2) . . ?
O11 U2 O12 74.8(2) . . ?
O10 U2 O12 133.4(2) . . ?
O8 U2 O12 93.0(2) . . ?
N2 U2 O12 149.9(2) . . ?
O9 U2 O13 112.8(2) . . ?
O11 U2 O13 133.4(2) . . ?
O10 U2 O13 74.0(2) . . ?
O8 U2 O13 83.2(2) . . ?
N2 U2 O13 147.0(2) . . ?
O12 U2 O13 60.0(2) . . ?
C59 O8 U2 167.2(6) . . ?
C63 O9 U2 133.9(5) . . ?
C70 O10 U2 142.2(5) . . ?
C77 O11 U2 144.6(5) . . ?
C115 O12 C116 114.8(8) . . ?
C115 O12 U2 114.8(6) . . ?
C116 O12 U2 109.9(5) . . ?
C118 O13 C117 110.3(8) . . ?
C118 O13 U2 121.1(5) . . ?
C117 O13 U2 122.0(6) . . ?
C61 N2 C75 111.3(7) . . ?
C61 N2 C68 108.9(7) . . ?
C75 N2 C68 105.5(6) . . ?
C61 N2 U2 114.3(5) . . ?
C75 N2 U2 108.5(5) . . ?
C68 N2 U2 108.0(5) . . ?
N2 C61 C62 120.1(7) . . ?
N2 C61 H61A 107.3 . . ?
C62 C61 H61A 107.3 . . ?
N2 C61 H61B 107.3 . . ?
C62 C61 H61B 107.3 . . ?
H61A C61 H61B 106.9 . . ?
C67 C62 C63 118.3(9) . . ?
C67 C62 C61 120.2(9) . . ?
C63 C62 C61 120.7(8) . . ?
O9 C63 C62 118.1(8) . . ?
O9 C63 C64 121.0(7) . . ?
C62 C63 C64 120.9(8) . . ?
C65 C64 C63 116.2(9) . . ?
C65 C64 C82 121.6(9) . . ?
C63 C64 C82 122.1(8) . . ?
C66 C65 C64 123.6(11) . . ?
C66 C65 H65A 118.2 . . ?
C64 C65 H65A 118.2 . . ?
C65 C66 C67 117.8(10) . . ?
C65 C66 C92 121.2(12) . . ?
C67 C66 C92 121.0(11) . . ?
C66 C67 C62 122.4(10) . . ?
C66 C67 H67A 118.8 . . ?
C62 C67 H67A 118.8 . . ?
C69 C68 N2 115.6(7) . . ?
C69 C68 H68A 108.4 . . ?
N2 C68 H68A 108.4 . . ?
C69 C68 H68B 108.4 . . ?
N2 C68 H68B 108.4 . . ?
H68A C68 H68B 107.4 . . ?
C74 C69 C70 119.8(9) . . ?
C74 C69 C68 119.1(8) . . ?
C70 C69 C68 121.1(8) . . ?
O10 C70 C71 124.7(7) . . ?
O10 C70 C69 115.7(8) . . ?
C71 C70 C69 119.7(8) . . ?
C72 C71 C70 117.3(8) . . ?
C72 C71 C93 122.1(8) . . ?
C70 C71 C93 120.6(7) . . ?
C71 C72 C73 123.8(9) . . ?
C71 C72 H72A 118.1 . . ?
C73 C72 H72A 118.1 . . ?
C74 C73 C72 117.9(8) . . ?
C74 C73 C103 121.1(8) . . ?
C72 C73 C103 121.0(9) . . ?
C73 C74 C69 121.4(8) . . ?
C73 C74 H74A 119.3 . . ?
C69 C74 H74A 119.3 . . ?
C76 C75 N2 116.7(7) . . ?
C76 C75 H75A 108.1 . . ?
N2 C75 H75A 108.1 . . ?
C76 C75 H75B 108.1 . . ?
N2 C75 H75B 108.1 . . ?
H75A C75 H75B 107.3 . . ?
C81 C76 C77 119.0(8) . . ?
C81 C76 C75 120.4(8) . . ?
C77 C76 C75 120.6(8) . . ?
O11 C77 C78 123.0(7) . . ?
O11 C77 C76 116.0(8) . . ?
C78 C77 C76 121.0(8) . . ?
C77 C78 C79 116.9(8) . . ?
C77 C78 C104 123.4(8) . . ?
C79 C78 C104 119.7(8) . . ?
C80 C79 C78 123.2(9) . . ?
C80 C79 H79A 118.4 . . ?
C78 C79 H79A 118.4 . . ?
C81 C80 C79 118.3(9) . . ?
C81 C80 C114 121.9(9) . . ?
C79 C80 C114 119.8(10) . . ?
C80 C81 C76 121.6(8) . . ?
C80 C81 H81A 119.2 . . ?
C76 C81 H81A 119.2 . . ?
C89 C82 C91 109.7(7) . . ?
C89 C82 C64 109.6(7) . . ?
C91 C82 C64 111.5(7) . . ?
C89 C82 C86 108.5(7) . . ?
C91 C82 C86 106.6(7) . . ?
C64 C82 C86 110.9(7) . . ?
C90 C83 C87 109.9(8) . . ?
C90 C83 C86 110.8(8) . . ?
C87 C83 C86 108.5(8) . . ?
C90 C83 H83A 109.2 . . ?
C87 C83 H83A 109.2 . . ?
C86 C83 H83A 109.2 . . ?
C88 C84 C87 110.6(8) . . ?
C88 C84 C91 108.9(8) . . ?
C87 C84 C91 108.1(8) . . ?
C88 C84 H84A 109.8 . . ?
C87 C84 H84A 109.8 . . ?
C91 C84 H84A 109.8 . . ?
C88 C85 C90 109.8(8) . . ?
C88 C85 C89 109.7(7) . . ?
C90 C85 C89 109.2(8) . . ?
C88 C85 H85A 109.4 . . ?
C90 C85 H85A 109.4 . . ?
C89 C85 H85A 109.4 . . ?
C83 C86 C82 110.0(8) . . ?
C83 C86 H86A 109.7 . . ?
C82 C86 H86A 109.7 . . ?
C83 C86 H86B 109.7 . . ?
C82 C86 H86B 109.7 . . ?
H86A C86 H86B 108.2 . . ?
C83 C87 C84 109.2(8) . . ?
C83 C87 H87A 109.8 . . ?
C84 C87 H87A 109.8 . . ?
C83 C87 H87B 109.8 . . ?
C84 C87 H87B 109.8 . . ?
H87A C87 H87B 108.3 . . ?
C85 C88 C84 109.5(8) . . ?
C85 C88 H88A 109.8 . . ?
C84 C88 H88A 109.8 . . ?
C85 C88 H88B 109.8 . . ?
C84 C88 H88B 109.8 . . ?
H88A C88 H88B 108.2 . . ?
C82 C89 C85 110.3(7) . . ?
C82 C89 H89A 109.6 . . ?
C85 C89 H89A 109.6 . . ?
C82 C89 H89B 109.6 . . ?
C85 C89 H89B 109.6 . . ?
H89A C89 H89B 108.1 . . ?
C83 C90 C85 109.7(7) . . ?
C83 C90 H90A 109.7 . . ?
C85 C90 H90A 109.7 . . ?
C83 C90 H90B 109.7 . . ?
C85 C90 H90B 109.7 . . ?
H90A C90 H90B 108.2 . . ?
C82 C91 C84 111.5(7) . . ?
C82 C91 H91A 109.3 . . ?
C84 C91 H91A 109.3 . . ?
C82 C91 H91B 109.3 . . ?
C84 C91 H91B 109.3 . . ?
H91A C91 H91B 108.0 . . ?
C71 C93 C102 109.5(7) . . ?
C71 C93 C97 112.5(7) . . ?
C102 C93 C97 107.0(7) . . ?
C71 C93 C100 111.1(7) . . ?
C102 C93 C100 110.6(7) . . ?
C97 C93 C100 106.0(7) . . ?
C66 C92 H92A 109.5 . . ?
C66 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C66 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C98 C94 C101 109.8(8) . . ?
C98 C94 C97 110.0(9) . . ?
C101 C94 C97 110.2(8) . . ?
C98 C94 H94A 108.9 . . ?
C101 C94 H94A 108.9 . . ?
C97 C94 H94A 108.9 . . ?
C98 C95 C99 110.2(8) . . ?
C98 C95 C102 110.1(8) . . ?
C99 C95 C102 108.6(8) . . ?
C98 C95 H95A 109.3 . . ?
C99 C95 H95A 109.3 . . ?
C102 C95 H95A 109.3 . . ?
C101 C96 C99 109.3(8) . . ?
C101 C96 C100 109.3(8) . . ?
C99 C96 C100 109.9(8) . . ?
C101 C96 H96A 109.4 . . ?
C99 C96 H96A 109.4 . . ?
C100 C96 H96A 109.4 . . ?
C94 C97 C93 110.2(7) . . ?
C94 C97 H97A 109.6 . . ?
C93 C97 H97A 109.6 . . ?
C94 C97 H97B 109.6 . . ?
C93 C97 H97B 109.6 . . ?
H97A C97 H97B 108.1 . . ?
C95 C98 C94 109.1(8) . . ?
C95 C98 H98A 109.9 . . ?
C94 C98 H98A 109.9 . . ?
C95 C98 H98B 109.9 . . ?
C94 C98 H98B 109.9 . . ?
H98A C98 H98B 108.3 . . ?
C95 C99 C96 110.0(8) . . ?
C95 C99 H99A 109.7 . . ?
C96 C99 H99A 109.7 . . ?
C95 C99 H99B 109.7 . . ?
C96 C99 H99B 109.7 . . ?
H99A C99 H99B 108.2 . . ?
C96 C100 C93 110.3(7) . . ?
C96 C100 H10A 109.6 . . ?
C93 C100 H10A 109.6 . . ?
C96 C100 H10B 109.6 . . ?
C93 C100 H10B 109.6 . . ?
H10A C100 H10B 108.1 . . ?
C96 C101 C94 108.7(8) . . ?
C96 C101 H10C 110.0 . . ?
C94 C101 H10C 110.0 . . ?
C96 C101 H10D 110.0 . . ?
C94 C101 H10D 110.0 . . ?
H10C C101 H10D 108.3 . . ?
C95 C102 C93 110.9(8) . . ?
C95 C102 H10E 109.5 . . ?
C93 C102 H10E 109.5 . . ?
C95 C102 H10F 109.5 . . ?
C93 C102 H10F 109.5 . . ?
H10E C102 H10F 108.1 . . ?
C73 C103 H10G 109.5 . . ?
C73 C103 H10H 109.5 . . ?
H10G C103 H10H 109.5 . . ?
C73 C103 H10I 109.5 . . ?
H10G C103 H10I 109.5 . . ?
H10H C103 H10I 109.5 . . ?
C113 C104 C108 105.6(9) . . ?
C113 C104 C78 113.0(7) . . ?
C108 C104 C78 112.7(8) . . ?
C113 C104 C111 110.5(9) . . ?
C108 C104 C111 105.4(9) . . ?
C78 C104 C111 109.2(8) . . ?
C107 C105 C112 109.9(9) . . ?
C107 C105 C108 110.1(10) . . ?
C112 C105 C108 109.3(10) . . ?
C107 C105 H10J 109.2 . . ?
C112 C105 H10J 109.2 . . ?
C108 C105 H10J 109.2 . . ?
C110 C106 C107 109.8(9) . . ?
C110 C106 C113 109.0(10) . . ?
C107 C106 C113 107.7(10) . . ?
C110 C106 H10K 110.1 . . ?
C107 C106 H10K 110.1 . . ?
C113 C106 H10K 110.1 . . ?
C105 C107 C106 108.2(9) . . ?
C105 C107 H10L 110.1 . . ?
C106 C107 H10L 110.1 . . ?
C105 C107 H10M 110.1 . . ?
C106 C107 H10M 110.1 . . ?
H10L C107 H10M 108.4 . . ?
C105 C108 C104 112.9(9) . . ?
C105 C108 H10N 109.0 . . ?
C104 C108 H10N 109.0 . . ?
C105 C108 H10O 109.0 . . ?
C104 C108 H10O 109.0 . . ?
H10N C108 H10O 107.8 . . ?
C110 C109 C112 109.8(11) . . ?
C110 C109 C111 109.4(11) . . ?
C112 C109 C111 108.4(11) . . ?
C110 C109 H10P 109.7 . . ?
C112 C109 H10P 109.7 . . ?
C111 C109 H10P 109.7 . . ?
C109 C110 C106 111.2(9) . . ?
C109 C110 H11A 109.4 . . ?
C106 C110 H11A 109.4 . . ?
C109 C110 H11B 109.4 . . ?
C106 C110 H11B 109.4 . . ?
H11A C110 H11B 108.0 . . ?
C104 C111 C109 111.6(9) . . ?
C104 C111 H11C 109.3 . . ?
C109 C111 H11C 109.3 . . ?
C104 C111 H11D 109.3 . . ?
C109 C111 H11D 109.3 . . ?
H11C C111 H11D 108.0 . . ?
C109 C112 C105 109.8(9) . . ?
C109 C112 H11E 109.7 . . ?
C105 C112 H11E 109.7 . . ?
C109 C112 H11F 109.7 . . ?
C105 C112 H11F 109.7 . . ?
H11E C112 H11F 108.2 . . ?
C104 C113 C106 111.4(8) . . ?
C104 C113 H11G 109.4 . . ?
C106 C113 H11G 109.4 . . ?
C104 C113 H11H 109.4 . . ?
C106 C113 H11H 109.4 . . ?
H11G C113 H11H 108.0 . . ?
C80 C114 H11I 109.5 . . ?
C80 C114 H11J 109.5 . . ?
H11I C114 H11J 109.5 . . ?
C80 C114 H11K 109.5 . . ?
H11I C114 H11K 109.5 . . ?
H11J C114 H11K 109.5 . . ?
O12 C115 H11L 109.5 . . ?
O12 C115 H11M 109.5 . . ?
H11L C115 H11M 109.5 . . ?
O12 C115 H11N 109.5 . . ?
H11L C115 H11N 109.5 . . ?
H11M C115 H11N 109.5 . . ?
O12 C116 C117 110.3(8) . . ?
O12 C116 H11O 109.6 . . ?
C117 C116 H11O 109.6 . . ?
O12 C116 H11P 109.6 . . ?
C117 C116 H11P 109.6 . . ?
H11O C116 H11P 108.1 . . ?
O13 C117 C116 106.8(8) . . ?
O13 C117 H11Q 110.4 . . ?
C116 C117 H11Q 110.4 . . ?
O13 C117 H11R 110.4 . . ?
C116 C117 H11R 110.4 . . ?
H11Q C117 H11R 108.6 . . ?
O13 C118 H11S 109.5 . . ?
O13 C118 H11T 109.5 . . ?
H11S C118 H11T 109.5 . . ?
O13 C118 H11U 109.5 . . ?
H11S C118 H11U 109.5 . . ?
H11T C118 H11U 109.5 . . ?
O202 C201 H20A 109.5 . . ?
O202 C201 H20B 109.5 . . ?
H20A C201 H20B 109.5 . . ?
O202 C201 H20C 109.5 . . ?
H20A C201 H20C 109.5 . . ?
H20B C201 H20C 109.5 . . ?
C203 O202 C201 118.1(14) . . ?
O202 C203 C204 121.1(16) . . ?
O202 C203 H20D 107.0 . . ?
C204 C203 H20D 107.0 . . ?
O202 C203 H20E 107.0 . . ?
C204 C203 H20E 107.0 . . ?
H20D C203 H20E 106.8 . . ?
O205 C204 C203 117.5(17) . . ?
O205 C204 H20F 107.9 . . ?
C203 C204 H20F 107.9 . . ?
O205 C204 H20G 107.9 . . ?
C203 C204 H20G 107.9 . . ?
H20F C204 H20G 107.2 . . ?
C204 O205 C206 116.3(15) . . ?
O205 C206 H20H 109.5 . . ?
O205 C206 H20I 109.5 . . ?
H20H C206 H20I 109.5 . . ?
O205 C206 H20J 109.5 . . ?
H20H C206 H20J 109.5 . . ?
H20I C206 H20J 109.5 . . ?
O208 C207 H20K 109.5 . . ?
O208 C207 H20L 109.5 . . ?
H20K C207 H20L 109.5 . . ?
O208 C207 H20M 109.5 . . ?
H20K C207 H20M 109.5 . . ?
H20L C207 H20M 109.5 . . ?
C209 O208 C207 105.4(14) . . ?
O208 C209 C210 106.5(14) . . ?
O208 C209 H20N 110.4 . . ?
C210 C209 H20N 110.4 . . ?
O208 C209 H20O 110.4 . . ?
C210 C209 H20O 110.4 . . ?
H20N C209 H20O 108.6 . . ?
O211 C210 C209 105.5(15) . . ?
O211 C210 H21B 110.6 . . ?
C209 C210 H21B 110.6 . . ?
O211 C210 H21C 110.6 . . ?
C209 C210 H21C 110.6 . . ?
H21B C210 H21C 108.8 . . ?
C210 O211 C212 106.9(16) . . ?
O211 C212 H21D 109.5 . . ?
O211 C212 H21E 109.5 . . ?
H21D C212 H21E 109.5 . . ?
O211 C212 H21F 109.5 . . ?
H21D C212 H21F 109.5 . . ?
H21E C212 H21F 109.5 . . ?
O214 C213 H21G 109.5 . . ?
O214 C213 H21H 109.5 . . ?
H21G C213 H21H 109.5 . . ?
O214 C213 H21I 109.5 . . ?
H21G C213 H21I 109.5 . . ?
H21H C213 H21I 109.5 . . ?
C215 O214 C213 115(3) . . ?
O214 C215 C216 119(3) . . ?
O214 C215 H21J 107.5 . . ?
C216 C215 H21J 107.5 . . ?
O214 C215 H21K 107.5 . . ?
C216 C215 H21K 107.5 . . ?
H21J C215 H21K 107.0 . . ?
O217 C216 C215 117(3) . . ?
O217 C216 H21L 107.9 . . ?
C215 C216 H21L 107.9 . . ?
O217 C216 H21M 107.9 . . ?
C215 C216 H21M 108.0 . . ?
H21L C216 H21M 107.2 . . ?
C216 O217 C218 121(3) . . ?
O217 C218 H21N 109.5 . . ?
O217 C218 H21O 109.5 . . ?
H21N C218 H21O 109.5 . . ?
O217 C218 H21P 109.5 . . ?
H21N C218 H21P 109.5 . . ?
H21O C218 H21P 109.5 . . ?
O220 C219 H21Q 109.5 . . ?
O220 C219 H21R 109.5 . . ?
H21Q C219 H21R 109.5 . . ?
O220 C219 H21S 109.5 . . ?
H21Q C219 H21S 109.5 . . ?
H21R C219 H21S 109.5 . . ?
C221 O220 C219 113(3) . . ?
O220 C221 C222 114(3) . . ?
O220 C221 H22A 108.8 . . ?
C222 C221 H22A 108.8 . . ?
O220 C221 H22B 108.8 . . ?
C222 C221 H22B 108.8 . . ?
H22A C221 H22B 107.7 . . ?
O223 C222 C221 112(2) . . ?
O223 C222 H22C 109.2 . . ?
C221 C222 H22C 109.2 . . ?
O223 C222 H22D 109.2 . . ?
C221 C222 H22D 109.2 . . ?
H22C C222 H22D 107.9 . . ?
C222 O223 C224 113(2) . . ?
O223 C224 H22E 109.5 . . ?
O223 C224 H22F 109.5 . . ?
H22E C224 H22F 109.5 . . ?
O223 C224 H22G 109.5 . . ?
H22E C224 H22G 109.5 . . ?
H22F C224 H22G 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
U1 O1 2.163(5) . ?
U1 O3 2.170(6) . ?
U1 O2 2.200(6) . ?
U1 O6 2.414(6) . ?
U1 O7 2.439(6) . ?
U1 N1 2.586(6) . ?
U1 O5 2.592(6) . ?
U1 O4 2.706(6) . ?
U1 C59 2.801(9) . ?
O1 C3 1.361(10) . ?
O2 C10 1.371(10) . ?
O3 C17 1.353(10) . ?
O4 C55 1.424(11) . ?
O4 C56 1.430(11) . ?
O5 C58 1.438(11) . ?
O5 C57 1.455(11) . ?
O6 C59 1.263(10) . ?
O7 C59 1.281(10) . ?
N1 C15 1.483(11) . ?
N1 C1 1.489(11) . ?
N1 C8 1.494(11) . ?
C1 C2 1.509(12) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C7 1.392(12) . ?
C2 C3 1.411(12) . ?
C3 C4 1.394(12) . ?
C4 C5 1.412(12) . ?
C4 C22 1.550(12) . ?
C5 C6 1.389(13) . ?
C5 H5A 0.9500 . ?
C6 C7 1.380(13) . ?
C6 C32 1.521(13) . ?
C7 H7A 0.9500 . ?
C8 C9 1.495(12) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C14 1.399(12) . ?
C9 C10 1.424(11) . ?
C10 C11 1.406(12) . ?
C11 C12 1.405(12) . ?
C11 C33 1.544(11) . ?
C12 C13 1.392(12) . ?
C12 H12A 0.9500 . ?
C13 C14 1.379(13) . ?
C13 C43 1.507(12) . ?
C14 H14A 0.9500 . ?
C15 C16 1.525(11) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C21 1.397(12) . ?
C16 C17 1.407(11) . ?
C17 C18 1.410(12) . ?
C18 C19 1.391(12) . ?
C18 C44 1.550(12) . ?
C19 C20 1.386(12) . ?
C19 H19A 0.9500 . ?
C20 C21 1.380(13) . ?
C20 C54 1.528(12) . ?
C21 H21A 0.9500 . ?
C22 C29 1.534(13) . ?
C22 C31 1.543(13) . ?
C22 C26 1.550(13) . ?
C23 C30 1.524(18) . ?
C23 C26 1.532(15) . ?
C23 C27 1.537(18) . ?
C23 H23A 1.0000 . ?
C24 C27 1.516(17) . ?
C24 C28 1.522(18) . ?
C24 C31 1.535(14) . ?
C24 H24A 1.0000 . ?
C25 C28 1.512(19) . ?
C25 C30 1.529(16) . ?
C25 C29 1.530(15) . ?
C25 H25A 1.0000 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C37 1.526(12) . ?
C33 C40 1.563(12) . ?
C33 C42 1.565(12) . ?
C34 C37 1.541(12) . ?
C34 C38 1.541(16) . ?
C34 C41 1.546(15) . ?
C34 H34A 1.0000 . ?
C35 C38 1.502(15) . ?
C35 C39 1.530(15) . ?
C35 C42 1.560(12) . ?
C35 H35A 1.0000 . ?
C36 C41 1.520(14) . ?
C36 C40 1.526(12) . ?
C36 C39 1.538(15) . ?
C36 H36A 1.0000 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 C48 1.492(11) . ?
C44 C51 1.541(13) . ?
C44 C53 1.556(12) . ?
C45 C52 1.517(14) . ?
C45 C49 1.542(13) . ?
C45 C48 1.573(12) . ?
C45 H45A 1.0000 . ?
C46 C53 1.532(12) . ?
C46 C49 1.542(13) . ?
C46 C50 1.547(14) . ?
C46 H46A 1.0000 . ?
C47 C52 1.531(13) . ?
C47 C50 1.533(13) . ?
C47 C51 1.544(12) . ?
C47 H47A 1.0000 . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 C57 1.466(15) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 O8 1.305(11) . ?
U2 O9 2.159(5) . ?
U2 O11 2.160(6) . ?
U2 O10 2.166(6) . ?
U2 O8 2.210(6) . ?
U2 N2 2.561(6) . ?
U2 O12 2.613(6) . ?
U2 O13 2.668(6) . ?
O9 C63 1.366(10) . ?
O10 C70 1.361(10) . ?
O11 C77 1.367(10) . ?
O12 C115 1.428(12) . ?
O12 C116 1.452(11) . ?
O13 C118 1.429(12) . ?
O13 C117 1.432(11) . ?
N2 C61 1.491(11) . ?
N2 C75 1.499(11) . ?
N2 C68 1.502(11) . ?
C61 C62 1.504(13) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 C67 1.387(14) . ?
C62 C63 1.411(12) . ?
C63 C64 1.429(13) . ?
C64 C65 1.400(14) . ?
C64 C82 1.541(12) . ?
C65 C66 1.384(15) . ?
C65 H65A 0.9500 . ?
C66 C67 1.387(16) . ?
C66 C92 1.504(18) . ?
C67 H67A 0.9500 . ?
C68 C69 1.498(13) . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C69 C74 1.398(13) . ?
C69 C70 1.425(12) . ?
C70 C71 1.418(12) . ?
C71 C72 1.396(12) . ?
C71 C93 1.541(12) . ?
C72 C73 1.397(12) . ?
C72 H72A 0.9500 . ?
C73 C74 1.380(14) . ?
C73 C103 1.503(12) . ?
C74 H74A 0.9500 . ?
C75 C76 1.482(13) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C76 C81 1.391(12) . ?
C76 C77 1.418(12) . ?
C77 C78 1.403(13) . ?
C78 C79 1.407(13) . ?
C78 C104 1.529(12) . ?
C79 C80 1.389(14) . ?
C79 H79A 0.9500 . ?
C80 C81 1.385(14) . ?
C80 C114 1.515(14) . ?
C81 H81A 0.9500 . ?
C82 C89 1.531(13) . ?
C82 C91 1.534(12) . ?
C82 C86 1.554(12) . ?
C83 C90 1.516(14) . ?
C83 C87 1.530(13) . ?
C83 C86 1.541(13) . ?
C83 H83A 1.0000 . ?
C84 C88 1.529(14) . ?
C84 C87 1.533(14) . ?
C84 C91 1.540(13) . ?
C84 H84A 1.0000 . ?
C85 C88 1.525(13) . ?
C85 C90 1.526(13) . ?
C85 C89 1.546(12) . ?
C85 H85A 1.0000 . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C87 H87A 0.9900 . ?
C87 H87B 0.9900 . ?
C88 H88A 0.9900 . ?
C88 H88B 0.9900 . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
C93 C102 1.543(12) . ?
C93 C97 1.553(13) . ?
C93 C100 1.557(12) . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C94 C98 1.518(15) . ?
C94 C101 1.530(14) . ?
C94 C97 1.544(13) . ?
C94 H94A 1.0000 . ?
C95 C98 1.507(14) . ?
C95 C99 1.529(14) . ?
C95 C102 1.532(12) . ?
C95 H95A 1.0000 . ?
C96 C101 1.523(14) . ?
C96 C99 1.532(14) . ?
C96 C100 1.536(12) . ?
C96 H96A 1.0000 . ?
C97 H97A 0.9900 . ?
C97 H97B 0.9900 . ?
C98 H98A 0.9900 . ?
C98 H98B 0.9900 . ?
C99 H99A 0.9900 . ?
C99 H99B 0.9900 . ?
C100 H10A 0.9900 . ?
C100 H10B 0.9900 . ?
C101 H10C 0.9900 . ?
C101 H10D 0.9900 . ?
C102 H10E 0.9900 . ?
C102 H10F 0.9900 . ?
C103 H10G 0.9800 . ?
C103 H10H 0.9800 . ?
C103 H10I 0.9800 . ?
C104 C113 1.514(14) . ?
C104 C108 1.523(13) . ?
C104 C111 1.535(14) . ?
C105 C107 1.493(16) . ?
C105 C112 1.512(17) . ?
C105 C108 1.522(14) . ?
C105 H10J 1.0000 . ?
C106 C110 1.527(19) . ?
C106 C107 1.541(17) . ?
C106 C113 1.559(14) . ?
C106 H10K 1.0000 . ?
C107 H10L 0.9900 . ?
C107 H10M 0.9900 . ?
C108 H10N 0.9900 . ?
C108 H10O 0.9900 . ?
C109 C110 1.472(19) . ?
C109 C112 1.505(19) . ?
C109 C111 1.544(15) . ?
C109 H10P 1.0000 . ?
C110 H11A 0.9900 . ?
C110 H11B 0.9900 . ?
C111 H11C 0.9900 . ?
C111 H11D 0.9900 . ?
C112 H11E 0.9900 . ?
C112 H11F 0.9900 . ?
C113 H11G 0.9900 . ?
C113 H11H 0.9900 . ?
C114 H11I 0.9800 . ?
C114 H11J 0.9800 . ?
C114 H11K 0.9800 . ?
C115 H11L 0.9800 . ?
C115 H11M 0.9800 . ?
C115 H11N 0.9800 . ?
C116 C117 1.485(16) . ?
C116 H11O 0.9900 . ?
C116 H11P 0.9900 . ?
C117 H11Q 0.9900 . ?
C117 H11R 0.9900 . ?
C118 H11S 0.9800 . ?
C118 H11T 0.9800 . ?
C118 H11U 0.9800 . ?
C201 O202 1.394(18) . ?
C201 H20A 0.9800 . ?
C201 H20B 0.9800 . ?
C201 H20C 0.9800 . ?
O202 C203 1.294(18) . ?
C203 C204 1.42(2) . ?
C203 H20D 0.9900 . ?
C203 H20E 0.9900 . ?
C204 O205 1.336(19) . ?
C204 H20F 0.9900 . ?
C204 H20G 0.9900 . ?
O205 C206 1.401(19) . ?
C206 H20H 0.9800 . ?
C206 H20I 0.9800 . ?
C206 H20J 0.9800 . ?
C207 O208 1.44(2) . ?
C207 H20K 0.9800 . ?
C207 H20L 0.9800 . ?
C207 H20M 0.9800 . ?
O208 C209 1.332(18) . ?
C209 C210 1.62(3) . ?
C209 H20N 0.9900 . ?
C209 H20O 0.9900 . ?
C210 O211 1.39(2) . ?
C210 H21B 0.9900 . ?
C210 H21C 0.9900 . ?
O211 C212 1.47(2) . ?
C212 H21D 0.9800 . ?
C212 H21E 0.9800 . ?
C212 H21F 0.9800 . ?
C213 O214 1.38(2) . ?
C213 H21G 0.9800 . ?
C213 H21H 0.9800 . ?
C213 H21I 0.9800 . ?
O214 C215 1.24(2) . ?
C215 C216 1.41(3) . ?
C215 H21J 0.9900 . ?
C215 H21K 0.9900 . ?
C216 O217 1.34(2) . ?
C216 H21L 0.9900 . ?
C216 H21M 0.9900 . ?
O217 C218 1.41(2) . ?
C218 H21N 0.9800 . ?
C218 H21O 0.9800 . ?
C218 H21P 0.9800 . ?
C219 O220 1.36(2) . ?
C219 H21Q 0.9800 . ?
C219 H21R 0.9800 . ?
C219 H21S 0.9800 . ?
O220 C221 1.28(2) . ?
C221 C222 1.44(3) . ?
C221 H22A 0.9900 . ?
C221 H22B 0.9900 . ?
C222 O223 1.34(2) . ?
C222 H22C 0.9900 . ?
C222 H22D 0.9900 . ?
O223 C224 1.40(2) . ?
C224 H22E 0.9800 . ?
C224 H22F 0.9800 . ?
C224 H22G 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O3 U1 O1 C3 60.2(10) . . . . ?
O2 U1 O1 C3 -85.1(10) . . . . ?
O6 U1 O1 C3 -25.2(12) . . . . ?
O7 U1 O1 C3 -176.5(9) . . . . ?
N1 U1 O1 C3 -4.0(10) . . . . ?
O5 U1 O1 C3 -176.9(10) . . . . ?
O4 U1 O1 C3 124.1(10) . . . . ?
O1 U1 O2 C10 111.3(7) . . . . ?
O3 U1 O2 C10 0.6(8) . . . . ?
O6 U1 O2 C10 -38.7(6) . . . . ?
O7 U1 O2 C10 -90.1(7) . . . . ?
N1 U1 O2 C10 39.8(6) . . . . ?
O5 U1 O2 C10 -159.7(7) . . . . ?
O4 U1 O2 C10 163.5(6) . . . . ?
C59 U1 O2 C10 -64.2(7) . . . . ?
O1 U1 O3 C17 -103.7(9) . . . . ?
O2 U1 O3 C17 1.2(10) . . . . ?
O6 U1 O3 C17 40.8(8) . . . . ?
O7 U1 O3 C17 94.1(9) . . . . ?
N1 U1 O3 C17 -39.8(8) . . . . ?
O5 U1 O3 C17 157.8(8) . . . . ?
O4 U1 O3 C17 -168.3(9) . . . . ?
C59 U1 O3 C17 67.9(9) . . . . ?
O1 U1 O4 C55 -42.6(6) . . . . ?
O3 U1 O4 C55 70.9(6) . . . . ?
O2 U1 O4 C55 -98.6(7) . . . . ?
O6 U1 O4 C55 113.1(6) . . . . ?
O7 U1 O4 C55 155.8(6) . . . . ?
N1 U1 O4 C55 14.3(7) . . . . ?
O5 U1 O4 C55 -142.1(7) . . . . ?
C59 U1 O4 C55 137.3(6) . . . . ?
O1 U1 O4 C56 100.3(7) . . . . ?
O3 U1 O4 C56 -146.2(7) . . . . ?
O2 U1 O4 C56 44.3(8) . . . . ?
O6 U1 O4 C56 -104.0(6) . . . . ?
O7 U1 O4 C56 -61.3(7) . . . . ?
N1 U1 O4 C56 157.2(6) . . . . ?
O5 U1 O4 C56 0.8(6) . . . . ?
C59 U1 O4 C56 -79.8(7) . . . . ?
O1 U1 O5 C58 122.8(7) . . . . ?
O3 U1 O5 C58 -130.0(7) . . . . ?
O2 U1 O5 C58 36.5(7) . . . . ?
O6 U1 O5 C58 -39.1(8) . . . . ?
O7 U1 O5 C58 -57.0(7) . . . . ?
N1 U1 O5 C58 103.7(9) . . . . ?
O4 U1 O5 C58 -167.3(8) . . . . ?
C59 U1 O5 C58 -49.4(7) . . . . ?
O1 U1 O5 C57 -101.9(7) . . . . ?
O3 U1 O5 C57 5.3(7) . . . . ?
O2 U1 O5 C57 171.8(6) . . . . ?
O6 U1 O5 C57 96.1(7) . . . . ?
O7 U1 O5 C57 78.3(7) . . . . ?
N1 U1 O5 C57 -121.0(8) . . . . ?
O4 U1 O5 C57 -32.1(6) . . . . ?
C59 U1 O5 C57 85.9(7) . . . . ?
O1 U1 O6 C59 -169.9(5) . . . . ?
O3 U1 O6 C59 95.3(5) . . . . ?
O2 U1 O6 C59 -107.3(5) . . . . ?
O7 U1 O6 C59 -2.3(5) . . . . ?
N1 U1 O6 C59 169.6(5) . . . . ?
O5 U1 O6 C59 -23.2(6) . . . . ?
O4 U1 O6 C59 54.2(6) . . . . ?
O1 U1 O7 C59 162.8(6) . . . . ?
O3 U1 O7 C59 -71.2(5) . . . . ?
O2 U1 O7 C59 72.8(5) . . . . ?
O6 U1 O7 C59 2.3(5) . . . . ?
N1 U1 O7 C59 -8.0(6) . . . . ?
O5 U1 O7 C59 163.2(5) . . . . ?
O4 U1 O7 C59 -141.7(5) . . . . ?
O1 U1 N1 C15 164.0(6) . . . . ?
O3 U1 N1 C15 50.4(5) . . . . ?
O2 U1 N1 C15 -106.7(5) . . . . ?
O6 U1 N1 C15 -28.1(5) . . . . ?
O7 U1 N1 C15 -19.6(6) . . . . ?
O5 U1 N1 C15 -175.8(5) . . . . ?
O4 U1 N1 C15 106.7(5) . . . . ?
C59 U1 N1 C15 -23.3(6) . . . . ?
O1 U1 N1 C1 44.5(5) . . . . ?
O3 U1 N1 C1 -69.1(5) . . . . ?
O2 U1 N1 C1 133.9(5) . . . . ?
O6 U1 N1 C1 -147.5(5) . . . . ?
O7 U1 N1 C1 -139.0(5) . . . . ?
O5 U1 N1 C1 64.8(8) . . . . ?
O4 U1 N1 C1 -12.8(6) . . . . ?
C59 U1 N1 C1 -142.7(5) . . . . ?
O1 U1 N1 C8 -75.9(5) . . . . ?
O3 U1 N1 C8 170.5(5) . . . . ?
O2 U1 N1 C8 13.5(5) . . . . ?
O6 U1 N1 C8 92.1(5) . . . . ?
O7 U1 N1 C8 100.6(5) . . . . ?
O5 U1 N1 C8 -55.6(8) . . . . ?
O4 U1 N1 C8 -133.2(5) . . . . ?
C59 U1 N1 C8 96.8(5) . . . . ?
C15 N1 C1 C2 162.7(7) . . . . ?
C8 N1 C1 C2 43.9(9) . . . . ?
U1 N1 C1 C2 -74.9(7) . . . . ?
N1 C1 C2 C7 -131.0(8) . . . . ?
N1 C1 C2 C3 49.3(11) . . . . ?
U1 O1 C3 C4 157.7(7) . . . . ?
U1 O1 C3 C2 -19.5(14) . . . . ?
C7 C2 C3 O1 -177.9(8) . . . . ?
C1 C2 C3 O1 1.7(12) . . . . ?
C7 C2 C3 C4 4.8(13) . . . . ?
C1 C2 C3 C4 -175.5(8) . . . . ?
O1 C3 C4 C5 177.2(8) . . . . ?
C2 C3 C4 C5 -5.7(12) . . . . ?
O1 C3 C4 C22 -9.5(13) . . . . ?
C2 C3 C4 C22 167.5(8) . . . . ?
C3 C4 C5 C6 2.6(14) . . . . ?
C22 C4 C5 C6 -170.7(9) . . . . ?
C4 C5 C6 C7 1.6(15) . . . . ?
C4 C5 C6 C32 -179.9(10) . . . . ?
C5 C6 C7 C2 -2.7(15) . . . . ?
C32 C6 C7 C2 178.9(10) . . . . ?
C3 C2 C7 C6 -0.5(14) . . . . ?
C1 C2 C7 C6 179.9(9) . . . . ?
C15 N1 C8 C9 61.5(9) . . . . ?
C1 N1 C8 C9 179.5(7) . . . . ?
U1 N1 C8 C9 -61.0(8) . . . . ?
N1 C8 C9 C14 -113.8(9) . . . . ?
N1 C8 C9 C10 71.7(10) . . . . ?
U1 O2 C10 C11 134.2(7) . . . . ?
U1 O2 C10 C9 -47.6(10) . . . . ?
C14 C9 C10 O2 174.3(7) . . . . ?
C8 C9 C10 O2 -11.1(12) . . . . ?
C14 C9 C10 C11 -7.4(12) . . . . ?
C8 C9 C10 C11 167.1(8) . . . . ?
O2 C10 C11 C12 -175.0(8) . . . . ?
C9 C10 C11 C12 6.9(12) . . . . ?
O2 C10 C11 C33 8.2(13) . . . . ?
C9 C10 C11 C33 -169.9(8) . . . . ?
C10 C11 C12 C13 -1.5(14) . . . . ?
C33 C11 C12 C13 175.4(8) . . . . ?
C11 C12 C13 C14 -3.4(14) . . . . ?
C11 C12 C13 C43 177.9(9) . . . . ?
C12 C13 C14 C9 2.9(13) . . . . ?
C43 C13 C14 C9 -178.4(9) . . . . ?
C10 C9 C14 C13 2.3(13) . . . . ?
C8 C9 C14 C13 -172.3(8) . . . . ?
C1 N1 C15 C16 57.3(9) . . . . ?
C8 N1 C15 C16 177.3(7) . . . . ?
U1 N1 C15 C16 -63.0(8) . . . . ?
N1 C15 C16 C21 -147.9(8) . . . . ?
N1 C15 C16 C17 37.4(12) . . . . ?
U1 O3 C17 C16 25.2(13) . . . . ?
U1 O3 C17 C18 -153.2(7) . . . . ?
C21 C16 C17 O3 176.8(8) . . . . ?
C15 C16 C17 O3 -8.7(13) . . . . ?
C21 C16 C17 C18 -4.8(12) . . . . ?
C15 C16 C17 C18 169.7(8) . . . . ?
O3 C17 C18 C19 -177.9(8) . . . . ?
C16 C17 C18 C19 3.7(12) . . . . ?
O3 C17 C18 C44 3.5(12) . . . . ?
C16 C17 C18 C44 -174.8(8) . . . . ?
C17 C18 C19 C20 0.6(14) . . . . ?
C44 C18 C19 C20 179.2(8) . . . . ?
C18 C19 C20 C21 -3.8(14) . . . . ?
C18 C19 C20 C54 177.6(9) . . . . ?
C19 C20 C21 C16 2.8(14) . . . . ?
C54 C20 C21 C16 -178.7(9) . . . . ?
C17 C16 C21 C20 1.5(14) . . . . ?
C15 C16 C21 C20 -173.5(9) . . . . ?
C3 C4 C22 C29 -59.5(11) . . . . ?
C5 C4 C22 C29 113.4(9) . . . . ?
C3 C4 C22 C31 61.5(11) . . . . ?
C5 C4 C22 C31 -125.6(9) . . . . ?
C3 C4 C22 C26 179.3(8) . . . . ?
C5 C4 C22 C26 -7.7(12) . . . . ?
C30 C23 C26 C22 -57.5(13) . . . . ?
C27 C23 C26 C22 60.9(12) . . . . ?
C29 C22 C26 C23 57.5(11) . . . . ?
C31 C22 C26 C23 -60.4(11) . . . . ?
C4 C22 C26 C23 178.8(9) . . . . ?
C28 C24 C27 C23 -59.3(13) . . . . ?
C31 C24 C27 C23 60.2(14) . . . . ?
C30 C23 C27 C24 59.6(13) . . . . ?
C26 C23 C27 C24 -59.5(13) . . . . ?
C30 C25 C28 C24 -57.8(12) . . . . ?
C29 C25 C28 C24 61.3(12) . . . . ?
C27 C24 C28 C25 59.1(12) . . . . ?
C31 C24 C28 C25 -60.7(12) . . . . ?
C28 C25 C29 C22 -59.4(12) . . . . ?
C30 C25 C29 C22 59.4(13) . . . . ?
C31 C22 C29 C25 57.4(11) . . . . ?
C4 C22 C29 C25 179.0(9) . . . . ?
C26 C22 C29 C25 -58.2(11) . . . . ?
C26 C23 C30 C25 58.5(14) . . . . ?
C27 C23 C30 C25 -60.3(13) . . . . ?
C28 C25 C30 C23 59.4(13) . . . . ?
C29 C25 C30 C23 -59.5(14) . . . . ?
C27 C24 C31 C22 -62.4(12) . . . . ?
C28 C24 C31 C22 58.1(12) . . . . ?
C29 C22 C31 C24 -56.9(10) . . . . ?
C4 C22 C31 C24 -177.8(8) . . . . ?
C26 C22 C31 C24 60.7(10) . . . . ?
C12 C11 C33 C37 -4.5(11) . . . . ?
C10 C11 C33 C37 172.3(8) . . . . ?
C12 C11 C33 C40 116.4(9) . . . . ?
C10 C11 C33 C40 -66.9(11) . . . . ?
C12 C11 C33 C42 -124.9(8) . . . . ?
C10 C11 C33 C42 51.9(10) . . . . ?
C11 C33 C37 C34 -178.0(8) . . . . ?
C40 C33 C37 C34 58.8(10) . . . . ?
C42 C33 C37 C34 -56.8(11) . . . . ?
C38 C34 C37 C33 58.2(11) . . . . ?
C41 C34 C37 C33 -61.1(11) . . . . ?
C39 C35 C38 C34 -59.7(10) . . . . ?
C42 C35 C38 C34 61.0(11) . . . . ?
C37 C34 C38 C35 -59.1(11) . . . . ?
C41 C34 C38 C35 58.5(11) . . . . ?
C38 C35 C39 C36 62.1(10) . . . . ?
C42 C35 C39 C36 -58.8(11) . . . . ?
C41 C36 C39 C35 -61.8(10) . . . . ?
C40 C36 C39 C35 59.1(11) . . . . ?
C41 C36 C40 C33 58.8(11) . . . . ?
C39 C36 C40 C33 -60.5(10) . . . . ?
C37 C33 C40 C36 -56.3(10) . . . . ?
C11 C33 C40 C36 -179.7(8) . . . . ?
C42 C33 C40 C36 60.1(9) . . . . ?
C40 C36 C41 C34 -60.7(11) . . . . ?
C39 C36 C41 C34 59.9(10) . . . . ?
C37 C34 C41 C36 60.0(11) . . . . ?
C38 C34 C41 C36 -58.8(10) . . . . ?
C38 C35 C42 C33 -60.3(10) . . . . ?
C39 C35 C42 C33 60.0(10) . . . . ?
C37 C33 C42 C35 56.6(9) . . . . ?
C11 C33 C42 C35 179.2(7) . . . . ?
C40 C33 C42 C35 -59.2(9) . . . . ?
C19 C18 C44 C48 3.0(12) . . . . ?
C17 C18 C44 C48 -178.4(8) . . . . ?
C19 C18 C44 C51 121.7(9) . . . . ?
C17 C18 C44 C51 -59.7(11) . . . . ?
C19 C18 C44 C53 -117.9(9) . . . . ?
C17 C18 C44 C53 60.7(11) . . . . ?
C51 C44 C48 C45 61.1(10) . . . . ?
C18 C44 C48 C45 -177.4(8) . . . . ?
C53 C44 C48 C45 -55.5(10) . . . . ?
C52 C45 C48 C44 -61.7(10) . . . . ?
C49 C45 C48 C44 57.0(11) . . . . ?
C52 C45 C49 C46 60.2(10) . . . . ?
C48 C45 C49 C46 -57.0(10) . . . . ?
C53 C46 C49 C45 60.0(10) . . . . ?
C50 C46 C49 C45 -59.6(10) . . . . ?
C52 C47 C50 C46 -59.6(10) . . . . ?
C51 C47 C50 C46 61.5(10) . . . . ?
C53 C46 C50 C47 -60.6(10) . . . . ?
C49 C46 C50 C47 59.4(10) . . . . ?
C48 C44 C51 C47 -59.2(9) . . . . ?
C18 C44 C51 C47 179.0(7) . . . . ?
C53 C44 C51 C47 57.5(9) . . . . ?
C52 C47 C51 C44 60.0(10) . . . . ?
C50 C47 C51 C44 -60.8(10) . . . . ?
C49 C45 C52 C47 -60.9(10) . . . . ?
C48 C45 C52 C47 58.0(10) . . . . ?
C50 C47 C52 C45 60.9(10) . . . . ?
C51 C47 C52 C45 -59.8(10) . . . . ?
C49 C46 C53 C44 -60.6(10) . . . . ?
C50 C46 C53 C44 59.4(10) . . . . ?
C48 C44 C53 C46 57.6(10) . . . . ?
C51 C44 C53 C46 -57.6(10) . . . . ?
C18 C44 C53 C46 -179.7(7) . . . . ?
C55 O4 C56 C57 173.7(8) . . . . ?
U1 O4 C56 C57 28.7(10) . . . . ?
C58 O5 C57 C56 -161.6(8) . . . . ?
U1 O5 C57 C56 61.2(9) . . . . ?
O4 C56 C57 O5 -55.9(10) . . . . ?
U1 O6 C59 O7 4.1(8) . . . . ?
U1 O6 C59 O8 -172.9(7) . . . . ?
U1 O7 C59 O6 -4.1(8) . . . . ?
U1 O7 C59 O8 172.9(7) . . . . ?
O3 U1 C59 O6 -78.5(5) . . . . ?
O2 U1 C59 O6 68.8(5) . . . . ?
O7 U1 C59 O6 175.9(8) . . . . ?
N1 U1 C59 O6 -10.4(5) . . . . ?
O5 U1 C59 O6 160.1(5) . . . . ?
O4 U1 C59 O6 -140.4(4) . . . . ?
O3 U1 C59 O7 105.6(5) . . . . ?
O2 U1 C59 O7 -107.1(5) . . . . ?
O6 U1 C59 O7 -175.9(8) . . . . ?
N1 U1 C59 O7 173.8(5) . . . . ?
O5 U1 C59 O7 -15.8(5) . . . . ?
O4 U1 C59 O7 43.7(5) . . . . ?
O6 C59 O8 U2 -20(3) . . . . ?
O7 C59 O8 U2 163(2) . . . . ?
O9 U2 O8 C59 -149(3) . . . . ?
O11 U2 O8 C59 132(3) . . . . ?
O10 U2 O8 C59 -76(3) . . . . ?
N2 U2 O8 C59 -153(3) . . . . ?
O12 U2 O8 C59 57(3) . . . . ?
O13 U2 O8 C59 -2(3) . . . . ?
O11 U2 O9 C63 31.0(7) . . . . ?
O10 U2 O9 C63 -121.6(7) . . . . ?
O8 U2 O9 C63 -48.5(12) . . . . ?
N2 U2 O9 C63 -44.6(7) . . . . ?
O12 U2 O9 C63 104.7(7) . . . . ?
O13 U2 O9 C63 167.8(7) . . . . ?
O9 U2 O10 C70 60.7(9) . . . . ?
O11 U2 O10 C70 -16.2(12) . . . . ?
O8 U2 O10 C70 -100.7(9) . . . . ?
N2 U2 O10 C70 -18.7(9) . . . . ?
O12 U2 O10 C70 166.6(8) . . . . ?
O13 U2 O10 C70 176.0(9) . . . . ?
O9 U2 O11 C77 -65.5(9) . . . . ?
O10 U2 O11 C77 10.9(12) . . . . ?
O8 U2 O11 C77 95.4(9) . . . . ?
N2 U2 O11 C77 13.5(9) . . . . ?
O12 U2 O11 C77 -171.2(10) . . . . ?
O13 U2 O11 C77 174.7(8) . . . . ?
O9 U2 O12 C115 -160.2(6) . . . . ?
O11 U2 O12 C115 -76.7(7) . . . . ?
O10 U2 O12 C115 102.0(7) . . . . ?
O8 U2 O12 C115 11.1(7) . . . . ?
N2 U2 O12 C115 -67.7(8) . . . . ?
O13 U2 O12 C115 91.6(7) . . . . ?
O9 U2 O12 C116 68.7(6) . . . . ?
O11 U2 O12 C116 152.2(6) . . . . ?
O10 U2 O12 C116 -29.2(7) . . . . ?
O8 U2 O12 C116 -120.0(6) . . . . ?
N2 U2 O12 C116 161.2(6) . . . . ?
O13 U2 O12 C116 -39.6(6) . . . . ?
O9 U2 O13 C118 133.4(7) . . . . ?
O11 U2 O13 C118 -116.8(7) . . . . ?
O10 U2 O13 C118 55.3(7) . . . . ?
O8 U2 O13 C118 -35.1(7) . . . . ?
N2 U2 O13 C118 28.4(9) . . . . ?
O12 U2 O13 C118 -132.6(7) . . . . ?
O9 U2 O13 C117 -77.9(8) . . . . ?
O11 U2 O13 C117 31.8(9) . . . . ?
O10 U2 O13 C117 -156.0(8) . . . . ?
O8 U2 O13 C117 113.5(8) . . . . ?
N2 U2 O13 C117 177.0(7) . . . . ?
O12 U2 O13 C117 16.1(7) . . . . ?
O9 U2 N2 C61 -0.2(6) . . . . ?
O11 U2 N2 C61 -90.8(6) . . . . ?
O10 U2 N2 C61 88.0(6) . . . . ?
O8 U2 N2 C61 178.5(6) . . . . ?
O12 U2 N2 C61 -99.7(7) . . . . ?
O13 U2 N2 C61 114.6(6) . . . . ?
O9 U2 N2 C75 124.6(5) . . . . ?
O11 U2 N2 C75 34.0(5) . . . . ?
O10 U2 N2 C75 -147.2(5) . . . . ?
O8 U2 N2 C75 -56.7(5) . . . . ?
O12 U2 N2 C75 25.0(8) . . . . ?
O13 U2 N2 C75 -120.6(6) . . . . ?
O9 U2 N2 C68 -121.5(6) . . . . ?
O11 U2 N2 C68 147.9(6) . . . . ?
O10 U2 N2 C68 -33.3(5) . . . . ?
O8 U2 N2 C68 57.2(5) . . . . ?
O12 U2 N2 C68 138.9(5) . . . . ?
O13 U2 N2 C68 -6.7(8) . . . . ?
C75 N2 C61 C62 -80.6(9) . . . . ?
C68 N2 C61 C62 163.6(8) . . . . ?
U2 N2 C61 C62 42.7(10) . . . . ?
N2 C61 C62 C67 127.3(11) . . . . ?
N2 C61 C62 C63 -62.8(12) . . . . ?
U2 O9 C63 C62 42.6(12) . . . . ?
U2 O9 C63 C64 -136.8(7) . . . . ?
C67 C62 C63 O9 -170.8(10) . . . . ?
C61 C62 C63 O9 19.1(13) . . . . ?
C67 C62 C63 C64 8.6(15) . . . . ?
C61 C62 C63 C64 -161.5(9) . . . . ?
O9 C63 C64 C65 170.7(10) . . . . ?
C62 C63 C64 C65 -8.7(15) . . . . ?
O9 C63 C64 C82 -10.6(14) . . . . ?
C62 C63 C64 C82 170.0(9) . . . . ?
C63 C64 C65 C66 2(2) . . . . ?
C82 C64 C65 C66 -176.4(13) . . . . ?
C64 C65 C66 C67 4(3) . . . . ?
C64 C65 C66 C92 -177.0(15) . . . . ?
C65 C66 C67 C62 -4(2) . . . . ?
C92 C66 C67 C62 176.7(15) . . . . ?
C63 C62 C67 C66 -2(2) . . . . ?
C61 C62 C67 C66 168.3(13) . . . . ?
C61 N2 C68 C69 -52.7(9) . . . . ?
C75 N2 C68 C69 -172.2(7) . . . . ?
U2 N2 C68 C69 72.0(8) . . . . ?
N2 C68 C69 C74 123.5(9) . . . . ?
N2 C68 C69 C70 -58.7(12) . . . . ?
U2 O10 C70 C71 -140.0(8) . . . . ?
U2 O10 C70 C69 38.9(13) . . . . ?
C74 C69 C70 O10 178.0(8) . . . . ?
C68 C69 C70 O10 0.2(13) . . . . ?
C74 C69 C70 C71 -3.0(14) . . . . ?
C68 C69 C70 C71 179.2(8) . . . . ?
O10 C70 C71 C72 -177.7(8) . . . . ?
C69 C70 C71 C72 3.4(13) . . . . ?
O10 C70 C71 C93 0.3(13) . . . . ?
C69 C70 C71 C93 -178.6(8) . . . . ?
C70 C71 C72 C73 -1.6(14) . . . . ?
C93 C71 C72 C73 -179.6(9) . . . . ?
C71 C72 C73 C74 -0.8(15) . . . . ?
C71 C72 C73 C103 179.2(9) . . . . ?
C72 C73 C74 C69 1.3(15) . . . . ?
C103 C73 C74 C69 -178.7(9) . . . . ?
C70 C69 C74 C73 0.6(15) . . . . ?
C68 C69 C74 C73 178.5(9) . . . . ?
C61 N2 C75 C76 54.6(9) . . . . ?
C68 N2 C75 C76 172.5(7) . . . . ?
U2 N2 C75 C76 -72.0(8) . . . . ?
N2 C75 C76 C81 -123.2(9) . . . . ?
N2 C75 C76 C77 59.0(11) . . . . ?
U2 O11 C77 C78 147.9(8) . . . . ?
U2 O11 C77 C76 -31.7(14) . . . . ?
C81 C76 C77 O11 178.4(8) . . . . ?
C75 C76 C77 O11 -3.7(12) . . . . ?
C81 C76 C77 C78 -1.2(14) . . . . ?
C75 C76 C77 C78 176.7(8) . . . . ?
O11 C77 C78 C79 -178.1(9) . . . . ?
C76 C77 C78 C79 1.5(14) . . . . ?
O11 C77 C78 C104 2.9(14) . . . . ?
C76 C77 C78 C104 -177.5(8) . . . . ?
C77 C78 C79 C80 -0.8(16) . . . . ?
C104 C78 C79 C80 178.3(10) . . . . ?
C78 C79 C80 C81 -0.2(17) . . . . ?
C78 C79 C80 C114 -178.9(12) . . . . ?
C79 C80 C81 C76 0.6(16) . . . . ?
C114 C80 C81 C76 179.2(12) . . . . ?
C77 C76 C81 C80 0.1(15) . . . . ?
C75 C76 C81 C80 -177.8(10) . . . . ?
C65 C64 C82 C89 127.0(11) . . . . ?
C63 C64 C82 C89 -51.7(11) . . . . ?
C65 C64 C82 C91 -111.4(12) . . . . ?
C63 C64 C82 C91 69.9(11) . . . . ?
C65 C64 C82 C86 7.2(14) . . . . ?
C63 C64 C82 C86 -171.4(8) . . . . ?
C90 C83 C86 C82 -58.4(10) . . . . ?
C87 C83 C86 C82 62.3(10) . . . . ?
C89 C82 C86 C83 57.8(9) . . . . ?
C91 C82 C86 C83 -60.2(10) . . . . ?
C64 C82 C86 C83 178.2(8) . . . . ?
C90 C83 C87 C84 59.2(10) . . . . ?
C86 C83 C87 C84 -62.0(10) . . . . ?
C88 C84 C87 C83 -58.2(10) . . . . ?
C91 C84 C87 C83 60.9(10) . . . . ?
C90 C85 C88 C84 -58.8(10) . . . . ?
C89 C85 C88 C84 61.2(10) . . . . ?
C87 C84 C88 C85 58.2(10) . . . . ?
C91 C84 C88 C85 -60.4(10) . . . . ?
C91 C82 C89 C85 56.5(9) . . . . ?
C64 C82 C89 C85 179.2(7) . . . . ?
C86 C82 C89 C85 -59.6(9) . . . . ?
C88 C85 C89 C82 -59.3(10) . . . . ?
C90 C85 C89 C82 61.1(9) . . . . ?
C87 C83 C90 C85 -60.5(10) . . . . ?
C86 C83 C90 C85 59.3(10) . . . . ?
C88 C85 C90 C83 60.4(10) . . . . ?
C89 C85 C90 C83 -60.0(10) . . . . ?
C89 C82 C91 C84 -57.0(10) . . . . ?
C64 C82 C91 C84 -178.6(8) . . . . ?
C86 C82 C91 C84 60.2(10) . . . . ?
C88 C84 C91 C82 58.8(10) . . . . ?
C87 C84 C91 C82 -61.4(10) . . . . ?
C72 C71 C93 C102 112.8(10) . . . . ?
C70 C71 C93 C102 -65.1(10) . . . . ?
C72 C71 C93 C97 -6.0(12) . . . . ?
C70 C71 C93 C97 176.1(8) . . . . ?
C72 C71 C93 C100 -124.7(9) . . . . ?
C70 C71 C93 C100 57.4(11) . . . . ?
C98 C94 C97 C93 -60.4(10) . . . . ?
C101 C94 C97 C93 60.8(11) . . . . ?
C71 C93 C97 C94 178.6(8) . . . . ?
C102 C93 C97 C94 58.3(10) . . . . ?
C100 C93 C97 C94 -59.8(10) . . . . ?
C99 C95 C98 C94 59.5(10) . . . . ?
C102 C95 C98 C94 -60.2(10) . . . . ?
C101 C94 C98 C95 -61.3(10) . . . . ?
C97 C94 C98 C95 60.1(10) . . . . ?
C98 C95 C99 C96 -58.6(10) . . . . ?
C102 C95 C99 C96 62.1(10) . . . . ?
C101 C96 C99 C95 58.6(10) . . . . ?
C100 C96 C99 C95 -61.4(10) . . . . ?
C101 C96 C100 C93 -63.0(10) . . . . ?
C99 C96 C100 C93 57.0(10) . . . . ?
C71 C93 C100 C96 -176.3(8) . . . . ?
C102 C93 C100 C96 -54.5(10) . . . . ?
C97 C93 C100 C96 61.2(9) . . . . ?
C99 C96 C101 C94 -59.9(10) . . . . ?
C100 C96 C101 C94 60.5(10) . . . . ?
C98 C94 C101 C96 61.7(10) . . . . ?
C97 C94 C101 C96 -59.7(11) . . . . ?
C98 C95 C102 C93 61.1(10) . . . . ?
C99 C95 C102 C93 -59.6(10) . . . . ?
C71 C93 C102 C95 179.0(8) . . . . ?
C97 C93 C102 C95 -58.8(10) . . . . ?
C100 C93 C102 C95 56.3(10) . . . . ?
C77 C78 C104 C113 -60.0(13) . . . . ?
C79 C78 C104 C113 121.1(11) . . . . ?
C77 C78 C104 C108 -179.7(10) . . . . ?
C79 C78 C104 C108 1.4(14) . . . . ?
C77 C78 C104 C111 63.5(12) . . . . ?
C79 C78 C104 C111 -115.5(11) . . . . ?
C112 C105 C107 C106 -60.5(12) . . . . ?
C108 C105 C107 C106 60.0(13) . . . . ?
C110 C106 C107 C105 57.9(12) . . . . ?
C113 C106 C107 C105 -60.7(12) . . . . ?
C107 C105 C108 C104 -60.8(14) . . . . ?
C112 C105 C108 C104 60.0(13) . . . . ?
C113 C104 C108 C105 58.4(13) . . . . ?
C78 C104 C108 C105 -177.7(10) . . . . ?
C111 C104 C108 C105 -58.6(13) . . . . ?
C112 C109 C110 C106 57.8(12) . . . . ?
C111 C109 C110 C106 -61.0(13) . . . . ?
C107 C106 C110 C109 -57.5(12) . . . . ?
C113 C106 C110 C109 60.3(12) . . . . ?
C113 C104 C111 C109 -54.3(13) . . . . ?
C108 C104 C111 C109 59.3(13) . . . . ?
C78 C104 C111 C109 -179.3(10) . . . . ?
C110 C109 C111 C104 57.8(15) . . . . ?
C112 C109 C111 C104 -61.9(14) . . . . ?
C110 C109 C112 C105 -59.6(12) . . . . ?
C111 C109 C112 C105 59.9(13) . . . . ?
C107 C105 C112 C109 61.9(12) . . . . ?
C108 C105 C112 C109 -59.0(12) . . . . ?
C108 C104 C113 C106 -59.7(12) . . . . ?
C78 C104 C113 C106 176.6(10) . . . . ?
C111 C104 C113 C106 53.8(13) . . . . ?
C110 C106 C113 C104 -56.2(13) . . . . ?
C107 C106 C113 C104 62.9(13) . . . . ?
C115 O12 C116 C117 -66.4(11) . . . . ?
U2 O12 C116 C117 64.8(9) . . . . ?
C118 O13 C117 C116 161.2(9) . . . . ?
U2 O13 C117 C116 9.5(12) . . . . ?
O12 C116 C117 O13 -47.3(12) . . . . ?
C201 O202 C203 C204 179(2) . . . . ?
O202 C203 C204 O205 -48(3) . . . . ?
C203 C204 O205 C206 -169.0(19) . . . . ?
C207 O208 C209 C210 -167.3(16) . . . . ?
O208 C209 C210 O211 66.7(18) . . . . ?
C209 C210 O211 C212 177.4(13) . . . . ?
C213 O214 C215 C216 -172(4) . . . . ?
O214 C215 C216 O217 -176(4) . . . . ?
C215 C216 O217 C218 -91(5) . . . . ?
C219 O220 C221 C222 175(3) . . . . ?
O220 C221 C222 O223 70(5) . . . . ?
C221 C222 O223 C224 167(3) . . . . ?
