#------------------------------------------------------------------------------
#$Date: 2021-09-06 13:57:08 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268720 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/78/7707801.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_7707801
loop_
_publ_author_name
'Pei, Wen-Yuan'
'Lu, Bing-Bing'
'Yang, Jin'
'Wang, Tianqi'
'Ma, Jian-Fang'
_publ_section_title
;
 Two new calix[4]resorcinarene-based coordination cages adjusted by metal
 ions for the Knoevenagel condensation reaction.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9942
_journal_page_last               9948
_journal_paper_doi               10.1039/d1dt01139a
_journal_volume                  50
_journal_year                    2021
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C258 H180 In11 N41 O84, 8DMF, 20H2O, EtOH'
_chemical_formula_sum            'C284 H282 In11 N49 O113'
_chemical_formula_weight         7452.59
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-06-11 deposited with the CCDC.	2021-06-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.860(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   22.1234(4)
_cell_length_b                   36.2197(10)
_cell_length_c                   28.4674(6)
_cell_measurement_reflns_used    26843
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.2954
_cell_measurement_theta_min      2.7764
_cell_volume                     22647.7(9)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.2375
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.869
_diffrn_measurement_device_type  'Xcalibur, Ruby, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0707
_diffrn_reflns_av_unetI/netI     0.1665
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.869
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       49
_diffrn_reflns_limit_k_min       -45
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            171605
_diffrn_reflns_point_group_measured_fraction_full 0.970
_diffrn_reflns_point_group_measured_fraction_max 0.802
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         29.360
_diffrn_reflns_theta_min         2.782
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.618
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.98898
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.093
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7544
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.250
_refine_diff_density_max         1.071
_refine_diff_density_min         -0.616
_refine_diff_density_rms         0.060
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.451(16)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.887
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3501
_refine_ls_number_reflns         99928
_refine_ls_number_restraints     169
_refine_ls_restrained_S_all      0.889
_refine_ls_R_factor_all          0.1574
_refine_ls_R_factor_gt           0.0624
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0348P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1064
_refine_ls_wR_factor_ref         0.1394
_reflns_Friedel_coverage         0.818
_reflns_Friedel_fraction_full    0.942
_reflns_Friedel_fraction_max     0.733
_reflns_number_gt                43232
_reflns_number_total             99928
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt01139a2.cif
_cod_data_source_block           2-In
_cod_depositor_comments
'Adding full bibliography for 7707800--7707801.cif.'
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7707801
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.827
_shelx_estimated_absorpt_t_max   0.861
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.6647(5) 0.6217(3) -0.1476(4) 0.075(3) Uani 1 1 d . . . . .
H1A H 0.703554 0.615847 -0.129650 0.090 Uiso 1 1 calc R U . . .
H1B H 0.633985 0.621954 -0.125970 0.090 Uiso 1 1 calc R U . . .
C2 C 0.6680(6) 0.6595(3) -0.1705(4) 0.081(4) Uani 1 1 d . . . . .
C3 C 0.6147(5) 0.6813(4) -0.1795(4) 0.075(3) Uani 1 1 d . . . . .
C4 C 0.6162(5) 0.7179(4) -0.1976(4) 0.072(3) Uani 1 1 d . . . . .
C5 C 0.6716(5) 0.7300(4) -0.2088(3) 0.075(3) Uani 1 1 d . . . . .
H5 H 0.672952 0.753802 -0.221001 0.090 Uiso 1 1 calc R U . . .
C6 C 0.7262(5) 0.7100(4) -0.2036(4) 0.084(4) Uani 1 1 d . . . . .
C7 C 0.7229(5) 0.6752(5) -0.1839(4) 0.095(5) Uani 1 1 d . . . . .
C8 C 0.8140(6) 0.6588(5) -0.1365(5) 0.124(6) Uani 1 1 d . . . . .
H8A H 0.832438 0.636162 -0.123458 0.149 Uiso 1 1 calc R U . . .
H8B H 0.790639 0.669306 -0.112959 0.149 Uiso 1 1 calc R U . . .
C9 C 0.7882(5) 0.7239(4) -0.2130(5) 0.099(5) Uani 1 1 d . . . . .
H9 H 0.813080 0.702583 -0.219740 0.119 Uiso 1 1 calc R U . . .
C10 C 0.7816(6) 0.7489(5) -0.2560(4) 0.138(7) Uani 1 1 d . . . . .
H10A H 0.763379 0.735385 -0.283060 0.207 Uiso 1 1 calc R U . . .
H10B H 0.756173 0.769546 -0.250372 0.207 Uiso 1 1 calc R U . . .
H10C H 0.820985 0.757645 -0.261750 0.207 Uiso 1 1 calc R U . . .
C11 C 0.9180(4) 0.7101(4) -0.0590(5) 0.101(5) Uani 1 1 d . . . . .
H11A H 0.901847 0.685251 -0.058580 0.121 Uiso 1 1 calc R U . . .
H11B H 0.916661 0.720932 -0.027937 0.121 Uiso 1 1 calc R U . . .
C12 C 0.8814(6) 0.7320(7) -0.0944(6) 0.119(6) Uani 1 1 d . . . . .
C13 C 0.8513(5) 0.7215(5) -0.1348(6) 0.088(4) Uani 1 1 d . . . . .
C14 C 0.8158(5) 0.7412(5) -0.1683(5) 0.090(4) Uani 1 1 d . . . . .
C15 C 0.8093(6) 0.7792(6) -0.1580(5) 0.108(5) Uani 1 1 d . . . . .
H15 H 0.785479 0.793481 -0.180205 0.130 Uiso 1 1 calc R U . . .
C16 C 0.8359(6) 0.7970(6) -0.1171(6) 0.104(5) Uani 1 1 d . . . . .
C17 C 0.8734(6) 0.7717(7) -0.0848(6) 0.115(6) Uani 1 1 d . . . . .
C18 C 0.8692(7) 0.7954(7) -0.0038(6) 0.144(8) Uani 1 1 d . . . . .
H18A H 0.836510 0.777449 -0.004596 0.173 Uiso 1 1 calc R U . . .
H18B H 0.895435 0.791637 0.025665 0.173 Uiso 1 1 calc R U . . .
C19 C 0.8314(7) 0.8353(6) -0.1029(7) 0.130(6) Uani 1 1 d . . . . .
H19 H 0.868718 0.841677 -0.082361 0.156 Uiso 1 1 calc R U . . .
C20 C 0.8252(7) 0.8621(5) -0.1460(6) 0.158(8) Uani 1 1 d . . . . .
H20A H 0.822376 0.887001 -0.135041 0.238 Uiso 1 1 calc R U . . .
H20B H 0.860247 0.859659 -0.162647 0.238 Uiso 1 1 calc R U . . .
H20C H 0.789200 0.856013 -0.166806 0.238 Uiso 1 1 calc R U . . .
C22 C 0.7390(8) 0.8324(4) 0.0055(6) 0.098(4) Uani 1 1 d . . . . .
C23 C 0.7877(9) 0.8318(4) -0.0255(7) 0.110(5) Uani 1 1 d . . . . .
C24 C 0.7778(7) 0.8390(4) -0.0739(6) 0.095(4) Uani 1 1 d . . . . .
C25 C 0.7177(6) 0.8447(4) -0.0943(5) 0.094(4) Uani 1 1 d . . . . .
H25 H 0.709728 0.848350 -0.126804 0.113 Uiso 1 1 calc R U . . .
C26 C 0.6702(7) 0.8449(4) -0.0672(6) 0.101(4) Uani 1 1 d . . . . .
C27 C 0.6823(8) 0.8385(3) -0.0170(6) 0.096(4) Uani 1 1 d . . . . .
C28 C 0.5978(7) 0.8079(4) 0.0105(5) 0.106(5) Uani 1 1 d . . . . .
H28A H 0.622640 0.786632 0.005088 0.127 Uiso 1 1 calc R U . . .
H28B H 0.585017 0.805449 0.041741 0.127 Uiso 1 1 calc R U . . .
C29 C 0.6046(6) 0.8494(4) -0.0924(5) 0.091(4) Uani 1 1 d . . . . .
H29 H 0.582008 0.860913 -0.068667 0.110 Uiso 1 1 calc R U . . .
C30 C 0.5959(6) 0.8753(4) -0.1342(5) 0.125(6) Uani 1 1 d . . . . .
H30A H 0.615359 0.898465 -0.125625 0.188 Uiso 1 1 calc R U . . .
H30B H 0.613666 0.864686 -0.160189 0.188 Uiso 1 1 calc R U . . .
H30C H 0.553213 0.879312 -0.143205 0.188 Uiso 1 1 calc R U . . .
C31 C 0.5024(5) 0.7358(4) -0.0350(4) 0.089(4) Uani 1 1 d . . . . .
H31A H 0.524839 0.743116 -0.005037 0.107 Uiso 1 1 calc R U . . .
H31B H 0.506674 0.709351 -0.038552 0.107 Uiso 1 1 calc R U . . .
C32 C 0.5275(5) 0.7559(4) -0.0756(5) 0.078(4) Uani 1 1 d . . . . .
C33 C 0.5509(5) 0.7918(4) -0.0651(5) 0.078(4) Uani 1 1 d . . . . .
C34 C 0.5763(5) 0.8113(4) -0.1002(5) 0.079(4) Uani 1 1 d . . . . .
C35 C 0.5788(5) 0.7948(4) -0.1449(4) 0.084(4) Uani 1 1 d . . . . .
H35 H 0.595515 0.807779 -0.168389 0.101 Uiso 1 1 calc R U . . .
C36 C 0.5565(5) 0.7591(4) -0.1540(4) 0.072(3) Uani 1 1 d . . . . .
C37 C 0.5296(4) 0.7415(4) -0.1187(4) 0.067(3) Uani 1 1 d . . . . .
C38 C 0.5407(6) 0.6760(3) -0.1233(4) 0.082(4) Uani 1 1 d . . . . .
H38A H 0.519001 0.655332 -0.111482 0.098 Uiso 1 1 calc R U . . .
H38B H 0.575675 0.681159 -0.100359 0.098 Uiso 1 1 calc R U . . .
C39 C 0.5607(4) 0.7394(3) -0.2017(4) 0.069(3) Uani 1 1 d . . . . .
H39 H 0.526086 0.722504 -0.207669 0.083 Uiso 1 1 calc R U . . .
C40 C 0.5588(5) 0.7665(3) -0.2436(4) 0.083(4) Uani 1 1 d . . . . .
H40A H 0.521855 0.780565 -0.245901 0.124 Uiso 1 1 calc R U . . .
H40B H 0.593121 0.782876 -0.238729 0.124 Uiso 1 1 calc R U . . .
H40C H 0.560432 0.752841 -0.272360 0.124 Uiso 1 1 calc R U . . .
C129 C 0.6219(7) 0.4504(5) -0.1552(5) 0.113(5) Uani 1 1 d . . . . .
H129 H 0.629663 0.441539 -0.124408 0.136 Uiso 1 1 calc R U . . .
C139 C 0.6034(7) 0.4240(5) -0.1917(6) 0.124(6) Uani 1 1 d . . . . .
H139 H 0.597993 0.399074 -0.185427 0.149 Uiso 1 1 calc R U . . .
C149 C 0.5946(7) 0.4383(5) -0.2358(6) 0.133(6) Uani 1 1 d . . . . .
H149 H 0.580185 0.422885 -0.260827 0.159 Uiso 1 1 calc R U . . .
C159 C 0.6057(6) 0.4734(4) -0.2449(4) 0.091(4) Uani 1 1 d . . . . .
H159 H 0.603453 0.482251 -0.275727 0.109 Uiso 1 1 calc R U . . .
C45 C 0.6215(5) 0.4978(4) -0.2041(4) 0.077(4) Uani 1 1 d . . . . .
C46 C 0.6295(5) 0.5379(4) -0.2095(4) 0.068(3) Uani 1 1 d . . . . .
C47 C 0.6261(5) 0.5590(4) -0.2489(5) 0.088(4) Uani 1 1 d . . . . .
H47 H 0.618837 0.551259 -0.280235 0.105 Uiso 1 1 calc R U . . .
C48 C 0.6358(5) 0.5953(4) -0.2320(4) 0.087(4) Uani 1 1 d . . . . .
H48 H 0.633584 0.616868 -0.249934 0.105 Uiso 1 1 calc R U . . .
C49 C 1.1706(5) 0.6340(4) 0.0215(5) 0.103(5) Uani 1 1 d . . . . .
H49 H 1.163808 0.619299 0.047085 0.124 Uiso 1 1 calc R U . . .
C50 C 1.2278(5) 0.6366(5) 0.0077(7) 0.146(8) Uani 1 1 d D . . . .
H50 H 1.260100 0.623462 0.023574 0.175 Uiso 1 1 calc R U . . .
C51 C 1.2381(6) 0.6619(5) -0.0349(5) 0.105(5) Uani 1 1 d D . . . .
H51 H 1.276231 0.665308 -0.044931 0.126 Uiso 1 1 calc R U . . .
C52 C 1.1856(5) 0.6791(5) -0.0567(6) 0.123(6) Uani 1 1 d . . . . .
H52 H 1.188328 0.693559 -0.083430 0.147 Uiso 1 1 calc R U . . .
C53 C 1.1301(6) 0.6754(5) -0.0401(5) 0.108(5) Uani 1 1 d . . . . .
C54 C 1.0776(5) 0.6929(5) -0.0608(5) 0.108(5) Uani 1 1 d . . . . .
C55 C 1.0698(7) 0.7173(6) -0.0963(7) 0.155(6) Uani 1 1 d . U . . .
H55 H 1.099738 0.725188 -0.114361 0.186 Uiso 1 1 calc R U . . .
C56 C 1.0097(8) 0.7290(6) -0.1018(7) 0.151(7) Uani 1 1 d . U . . .
H56 H 0.991339 0.746658 -0.122521 0.182 Uiso 1 1 calc R U . . .
C57 C 0.8354(8) 0.8859(4) 0.2662(6) 0.131(6) Uani 1 1 d . . . . .
H57 H 0.838600 0.866444 0.287719 0.157 Uiso 1 1 calc R U . . .
C58 C 0.8541(8) 0.9227(6) 0.2818(8) 0.166(7) Uani 1 1 d . U . . .
H58 H 0.876127 0.926656 0.311260 0.199 Uiso 1 1 calc R U . . .
C59 C 0.8384(9) 0.9508(7) 0.2519(9) 0.179(8) Uani 1 1 d . U . . .
H59 H 0.835997 0.974571 0.264047 0.215 Uiso 1 1 calc R U . . .
C60 C 0.8258(9) 0.9453(7) 0.2044(9) 0.190(8) Uani 1 1 d . U . . .
H60 H 0.827988 0.964483 0.182887 0.228 Uiso 1 1 calc R U . . .
C61 C 0.8091(9) 0.9087(7) 0.1892(9) 0.164(7) Uani 1 1 d . U . . .
N9 N 0.7683(7) 0.8620(4) 0.0821(6) 0.156(5) Uani 1 1 d D U . . .
N8 N 0.7830(5) 0.8601(4) 0.1296(4) 0.172(8) Uani 1 1 d D . . . .
C62 C 0.7977(11) 0.8976(8) 0.1439(11) 0.206(9) Uani 1 1 d . U . . .
C63 C 0.7787(11) 0.9221(9) 0.1036(11) 0.251(10) Uani 1 1 d . U . . .
H63 H 0.778334 0.947763 0.103927 0.301 Uiso 1 1 calc R U . . .
C64 C 0.7600(10) 0.8973(8) 0.0614(10) 0.219(10) Uani 1 1 d . U . . .
H64 H 0.746549 0.903713 0.030234 0.263 Uiso 1 1 calc R U . . .
C136 C 0.2855(5) 0.7067(4) 0.0892(5) 0.093(4) Uani 1 1 d . . . . .
H136 H 0.301304 0.694774 0.116909 0.112 Uiso 1 1 calc R U . . .
C138 C 0.2224(5) 0.7148(5) 0.0821(5) 0.124(6) Uani 1 1 d . . . . .
H138 H 0.194387 0.704157 0.100010 0.149 Uiso 1 1 calc R U . . .
C146 C 0.2051(6) 0.7417(5) 0.0439(6) 0.125(6) Uani 1 1 d . . . . .
H146 H 0.167612 0.753605 0.041976 0.150 Uiso 1 1 calc R U . . .
C148 C 0.2423(5) 0.7487(5) 0.0127(5) 0.127(6) Uani 1 1 d . . . . .
H148 H 0.228978 0.761924 -0.014634 0.152 Uiso 1 1 calc R U . . .
C156 C 0.3020(4) 0.7362(4) 0.0209(5) 0.085(4) Uani 1 1 d . . . . .
C158 C 0.3472(5) 0.7457(3) -0.0113(4) 0.077(4) Uani 1 1 d . . . . .
C166 C 0.3420(6) 0.7651(4) -0.0514(5) 0.103(5) Uani 1 1 d . . . . .
H166 H 0.306129 0.775226 -0.066441 0.124 Uiso 1 1 calc R U . . .
C168 C 0.3989(5) 0.7676(4) -0.0671(4) 0.101(5) Uani 1 1 d . . . . .
H168 H 0.410149 0.780667 -0.092784 0.121 Uiso 1 1 calc R U . . .
C73 C 0.6630(9) 0.4375(7) 0.0434(9) 0.188(8) Uani 1 1 d . U . . .
H73 H 0.662061 0.420683 0.018570 0.226 Uiso 1 1 calc R U . . .
C74 C 0.6665(7) 0.4780(4) 0.0327(4) 0.106(4) Uani 1 1 d D . . . .
C75 C 0.6825(5) 0.5005(3) 0.0711(4) 0.071(3) Uani 1 1 d . . . . .
H75 H 0.691393 0.525225 0.066499 0.086 Uiso 1 1 calc R U . . .
C76 C 0.6854(6) 0.4866(3) 0.1159(4) 0.083(4) Uani 1 1 d . . . . .
C77 C 0.6763(8) 0.4500(6) 0.1198(7) 0.160(7) Uani 1 1 d . U . . .
H77 H 0.681261 0.441036 0.150654 0.192 Uiso 1 1 calc R U . . .
C78 C 0.6602(6) 0.4915(5) -0.0180(4) 0.095(4) Uani 1 1 d D . . . .
C79 C 0.6990(5) 0.5106(4) 0.1587(4) 0.074(3) Uani 1 1 d . . . . .
N14 N 1.0370(7) 0.5354(5) 0.1919(6) 0.288(14) Uani 1 1 d G . . . .
C80 C 1.0526(4) 0.5596(5) 0.1574(6) 0.244(15) Uani 1 1 d G . . . .
H80 H 1.092074 0.559783 0.149247 0.293 Uiso 1 1 calc R U . . .
C81 C 1.0092(6) 0.5835(4) 0.1351(4) 0.140(7) Uani 1 1 d G . . . .
C82 C 0.9502(5) 0.5832(3) 0.1472(4) 0.116(5) Uani 1 1 d G . . . .
H82 H 0.921091 0.599229 0.132282 0.139 Uiso 1 1 calc R U . . .
C83 C 0.9346(5) 0.5590(4) 0.1817(5) 0.169(9) Uani 1 1 d G . . . .
C84 C 0.9780(8) 0.5351(4) 0.2041(5) 0.260(15) Uani 1 1 d G . . . .
H84 H 0.967623 0.518946 0.227167 0.311 Uiso 1 1 calc R U . . .
C85 C 1.0267(9) 0.6097(6) 0.0980(7) 0.128(7) Uani 1 1 d . U . . .
C86 C 0.8694(9) 0.5558(7) 0.1909(8) 0.149(8) Uani 1 1 d . U . . .
C87 C 0.8148(5) 0.7422(5) 0.3445(6) 0.090(4) Uani 1 1 d . . . . .
H87 H 0.825966 0.764823 0.358421 0.108 Uiso 1 1 calc R U . . .
C88 C 0.8020(6) 0.7404(4) 0.2958(6) 0.087(4) Uani 1 1 d . . . . .
C89 C 0.7884(5) 0.7078(4) 0.2753(5) 0.083(4) Uani 1 1 d . . . . .
H89 H 0.779298 0.705563 0.242695 0.099 Uiso 1 1 calc R U . . .
C90 C 0.7886(6) 0.6772(4) 0.3053(6) 0.098(4) Uani 1 1 d . . . . .
C91 C 0.8029(6) 0.6815(5) 0.3535(6) 0.106(5) Uani 1 1 d . . . . .
H91 H 0.806016 0.661097 0.373496 0.128 Uiso 1 1 calc R U . . .
C92 C 0.8012(5) 0.7762(5) 0.2661(6) 0.092(5) Uani 1 1 d . . . . .
C93 C 0.7704(8) 0.6386(4) 0.2840(6) 0.119(6) Uani 1 1 d . . . . .
C94 C 0.4263(6) 0.6069(5) 0.2033(5) 0.112(5) Uani 1 1 d . . . . .
H94 H 0.385531 0.613756 0.198011 0.134 Uiso 1 1 calc R U . . .
C95 C 0.4677(6) 0.6256(4) 0.1765(4) 0.083(4) Uani 1 1 d . . . . .
C96 C 0.5270(5) 0.6143(3) 0.1846(4) 0.071(3) Uani 1 1 d . . . . .
H96 H 0.555730 0.624658 0.167224 0.085 Uiso 1 1 calc R U . . .
C97 C 0.5444(5) 0.5885(4) 0.2174(4) 0.078(3) Uani 1 1 d D . . . .
C98 C 0.4998(5) 0.5718(3) 0.2403(4) 0.081(4) Uani 1 1 d . . . . .
H98 H 0.512100 0.552690 0.261072 0.097 Uiso 1 1 calc R U . . .
C99 C 0.4465(6) 0.6531(4) 0.1379(5) 0.080(4) Uani 1 1 d . . . . .
C100 C 0.6112(5) 0.5759(3) 0.2274(4) 0.066(3) Uani 1 1 d D . . . .
C101 C 0.9610(7) 0.5392(5) -0.0679(6) 0.130(6) Uani 1 1 d . . . . .
H101 H 1.003250 0.539772 -0.062690 0.156 Uiso 1 1 calc R U . . .
C102 C 0.9295(6) 0.5706(4) -0.0541(4) 0.089(4) Uani 1 1 d . . . . .
C103 C 0.8681(6) 0.5699(4) -0.0650(4) 0.093(4) Uani 1 1 d . . . . .
H103 H 0.844969 0.590509 -0.059381 0.111 Uiso 1 1 calc R U . . .
C104 C 0.8412(5) 0.5398(4) -0.0838(4) 0.075(4) Uani 1 1 d . . . . .
C105 C 0.8741(7) 0.5103(5) -0.0945(5) 0.121(6) Uani 1 1 d . . . . .
H105 H 0.853340 0.489570 -0.107258 0.145 Uiso 1 1 calc R U . . .
C106 C 0.9644(6) 0.6033(4) -0.0282(5) 0.094(4) Uani 1 1 d . . . . .
C107 C 0.7718(5) 0.5351(5) -0.0924(4) 0.080(4) Uani 1 1 d . . . . .
C108 C 1.0075(5) 0.8028(4) 0.1643(6) 0.133(7) Uani 1 1 d . . . . .
H108 H 1.005722 0.823351 0.183625 0.160 Uiso 1 1 calc R U . . .
C109 C 0.9532(5) 0.7859(4) 0.1449(5) 0.090(4) Uani 1 1 d . . . . .
C110 C 0.9554(5) 0.7578(4) 0.1136(4) 0.085(4) Uani 1 1 d . . . . .
H110 H 0.920022 0.747359 0.098223 0.102 Uiso 1 1 calc R U . . .
C111 C 1.0123(5) 0.7453(4) 0.1054(4) 0.076(3) Uani 1 1 d . . . . .
C112 C 1.0634(6) 0.7621(5) 0.1277(6) 0.125(6) Uani 1 1 d . . . . .
H112 H 1.101783 0.753414 0.123007 0.150 Uiso 1 1 calc R U . . .
C113 C 0.8958(6) 0.7998(4) 0.1578(5) 0.089(4) Uani 1 1 d . . . . .
C114 C 1.0177(6) 0.7125(4) 0.0730(5) 0.094(4) Uani 1 1 d . . . . .
C115 C 0.4816(6) 0.8084(5) 0.1576(6) 0.115(5) Uani 1 1 d . . . . .
H115 H 0.439478 0.806048 0.153518 0.138 Uiso 1 1 calc R U . . .
C116 C 0.5149(5) 0.7851(3) 0.1335(4) 0.071(3) Uani 1 1 d . . . . .
C117 C 0.5782(5) 0.7883(3) 0.1374(4) 0.075(3) Uani 1 1 d . . . . .
H117 H 0.601010 0.772964 0.120141 0.090 Uiso 1 1 calc R U . . .
C118 C 0.6064(5) 0.8149(4) 0.1676(5) 0.093(4) Uani 1 1 d . . . . .
C119 C 0.5702(7) 0.8364(4) 0.1945(6) 0.122(6) Uani 1 1 d . . . . .
H119 H 0.588937 0.852114 0.217723 0.146 Uiso 1 1 calc R U . . .
C120 C 0.4819(5) 0.7556(4) 0.1060(4) 0.073(3) Uani 1 1 d . . . . .
C121 C 0.6728(5) 0.8172(4) 0.1739(6) 0.094(4) Uani 1 1 d . . . . .
C122 C 0.4410(9) 0.5483(6) -0.0776(7) 0.177(7) Uani 1 1 d . U . . .
H122 H 0.446201 0.523996 -0.086766 0.212 Uiso 1 1 calc R U . . .
C123 C 0.4907(5) 0.5712(4) -0.0712(5) 0.096(5) Uani 1 1 d . . . . .
C124 C 0.4874(5) 0.5999(3) -0.0427(4) 0.076(3) Uani 1 1 d . . . . .
H124 H 0.522752 0.612684 -0.031978 0.091 Uiso 1 1 calc R U . . .
C125 C 0.4341(5) 0.6109(4) -0.0288(4) 0.080(4) Uani 1 1 d . . . . .
C126 C 0.3837(6) 0.5902(5) -0.0426(6) 0.129(6) Uani 1 1 d . . . . .
H126 H 0.347517 0.597258 -0.031456 0.154 Uiso 1 1 calc R U . . .
C127 C 0.5489(6) 0.5572(4) -0.0846(5) 0.084(4) Uani 1 1 d . . . . .
C128 C 0.4308(5) 0.6437(3) 0.0032(4) 0.068(3) Uani 1 1 d . . . . .
C41 C 0.6278(6) 0.1791(3) 0.4683(4) 0.091(4) Uani 1 1 d . . . . .
H41A H 0.592688 0.195262 0.463082 0.109 Uiso 1 1 calc R U . . .
H41B H 0.662120 0.191904 0.457542 0.109 Uiso 1 1 calc R U . . .
C130 C 0.6417(5) 0.1714(3) 0.5209(5) 0.075(3) Uani 1 1 d . . . . .
C131 C 0.7028(6) 0.1656(3) 0.5409(5) 0.080(4) Uani 1 1 d . . . . .
C132 C 0.7168(5) 0.1610(3) 0.5881(5) 0.078(3) Uani 1 1 d . . . . .
C133 C 0.6696(5) 0.1612(3) 0.6172(4) 0.088(4) Uani 1 1 d . . . . .
H133 H 0.678720 0.156892 0.649476 0.105 Uiso 1 1 calc R U . . .
C134 C 0.6084(6) 0.1677(3) 0.5980(5) 0.083(4) Uani 1 1 d . . . . .
C135 C 0.5973(5) 0.1727(3) 0.5523(5) 0.076(3) Uani 1 1 d . . . . .
C69 C 0.5133(6) 0.2126(5) 0.5325(5) 0.103(5) Uani 1 1 d . . . . .
H69A H 0.486002 0.216211 0.503621 0.123 Uiso 1 1 calc R U . . .
H69B H 0.545767 0.230725 0.533298 0.123 Uiso 1 1 calc R U . . .
C137 C 0.5570(5) 0.1698(3) 0.6312(4) 0.077(3) Uani 1 1 d . . . . .
H137 H 0.519014 0.161837 0.612800 0.092 Uiso 1 1 calc R U . . .
C65 C 0.5689(6) 0.1441(4) 0.6748(6) 0.128(6) Uani 1 1 d . . . . .
H65A H 0.573197 0.119114 0.664393 0.192 Uiso 1 1 calc R U . . .
H65B H 0.605595 0.151590 0.693865 0.192 Uiso 1 1 calc R U . . .
H65C H 0.535314 0.145602 0.693163 0.192 Uiso 1 1 calc R U . . .
C42 C 0.4691(4) 0.2946(3) 0.5927(4) 0.075(3) Uani 1 1 d . . . . .
H42A H 0.488886 0.318487 0.593747 0.090 Uiso 1 1 calc R U . . .
H42B H 0.465807 0.285569 0.560423 0.090 Uiso 1 1 calc R U . . .
C140 C 0.5061(5) 0.2685(5) 0.6243(5) 0.082(4) Uani 1 1 d . . . . .
C141 C 0.5151(5) 0.2328(4) 0.6151(5) 0.076(3) Uani 1 1 d . . . . .
C142 C 0.5498(5) 0.2088(4) 0.6436(5) 0.079(4) Uani 1 1 d . . . . .
C143 C 0.5808(5) 0.2246(4) 0.6839(5) 0.082(4) Uani 1 1 d . . . . .
H143 H 0.607761 0.209556 0.702818 0.099 Uiso 1 1 calc R U . . .
C144 C 0.5751(5) 0.2605(4) 0.6981(5) 0.085(4) Uani 1 1 d . . . . .
C145 C 0.5374(5) 0.2818(4) 0.6671(5) 0.078(4) Uani 1 1 d . . . . .
C70 C 0.5733(6) 0.3479(4) 0.6724(5) 0.099(4) Uani 1 1 d . . . . .
H70A H 0.592151 0.342485 0.644168 0.119 Uiso 1 1 calc R U . . .
H70B H 0.552395 0.371369 0.667661 0.119 Uiso 1 1 calc R U . . .
C147 C 0.6132(6) 0.2770(4) 0.7443(4) 0.091(4) Uani 1 1 d . . . . .
H147 H 0.588929 0.296940 0.755880 0.109 Uiso 1 1 calc R U . . .
C66 C 0.6229(6) 0.2474(4) 0.7840(4) 0.114(5) Uani 1 1 d . . . . .
H66A H 0.584150 0.238414 0.790888 0.172 Uiso 1 1 calc R U . . .
H66B H 0.646391 0.227343 0.773689 0.172 Uiso 1 1 calc R U . . .
H66C H 0.644291 0.258283 0.811969 0.172 Uiso 1 1 calc R U . . .
C43 C 0.7192(6) 0.3844(4) 0.6779(4) 0.086(4) Uani 1 1 d . . . . .
H43A H 0.746263 0.385985 0.653572 0.103 Uiso 1 1 calc R U . . .
H43B H 0.678484 0.390486 0.663582 0.103 Uiso 1 1 calc R U . . .
C150 C 0.7197(6) 0.3443(3) 0.6970(4) 0.075(3) Uani 1 1 d . . . . .
C151 C 0.6703(6) 0.3300(4) 0.7111(4) 0.079(4) Uani 1 1 d . . . . .
C152 C 0.6681(5) 0.2938(4) 0.7293(4) 0.083(4) Uani 1 1 d . . . . .
C153 C 0.7208(6) 0.2725(4) 0.7313(3) 0.075(3) Uani 1 1 d . . . . .
H153 H 0.720305 0.248105 0.741603 0.090 Uiso 1 1 calc R U . . .
C154 C 0.7752(5) 0.2876(4) 0.7177(4) 0.086(4) Uani 1 1 d . . . . .
C155 C 0.7729(5) 0.3220(4) 0.6999(4) 0.078(4) Uani 1 1 d . . . . .
C71 C 0.8432(6) 0.3287(4) 0.6402(5) 0.102(5) Uani 1 1 d . . . . .
H71A H 0.806875 0.322431 0.619147 0.123 Uiso 1 1 calc R U . . .
H71B H 0.862458 0.349600 0.626665 0.123 Uiso 1 1 calc R U . . .
C157 C 0.8340(6) 0.2647(4) 0.7206(4) 0.086(4) Uani 1 1 d . . . . .
H157 H 0.868892 0.281516 0.724795 0.104 Uiso 1 1 calc R U . . .
C67 C 0.8408(6) 0.2360(5) 0.7620(4) 0.136(6) Uani 1 1 d . . . . .
H67A H 0.841051 0.248668 0.791644 0.204 Uiso 1 1 calc R U . . .
H67B H 0.807154 0.219018 0.758076 0.204 Uiso 1 1 calc R U . . .
H67C H 0.878181 0.222595 0.761754 0.204 Uiso 1 1 calc R U . . .
C44 C 0.8867(4) 0.2688(3) 0.5536(4) 0.080(4) Uani 1 1 d . . . . .
H44A H 0.864311 0.263569 0.522859 0.096 Uiso 1 1 calc R U . . .
H44B H 0.884176 0.295103 0.559310 0.096 Uiso 1 1 calc R U . . .
C160 C 0.8584(5) 0.2480(4) 0.5912(4) 0.061(3) Uani 1 1 d . . . . .
C161 C 0.8581(4) 0.2636(4) 0.6346(5) 0.070(3) Uani 1 1 d . . . . .
C162 C 0.8334(5) 0.2454(4) 0.6731(5) 0.074(3) Uani 1 1 d . . . . .
C163 C 0.8109(5) 0.2123(4) 0.6632(5) 0.077(4) Uani 1 1 d . . . . .
H163 H 0.793376 0.200628 0.687320 0.093 Uiso 1 1 calc R U . . .
C164 C 0.8101(4) 0.1922(4) 0.6206(5) 0.077(4) Uani 1 1 d . . . . .
C165 C 0.8338(5) 0.2140(5) 0.5840(5) 0.083(4) Uani 1 1 d . . . . .
C72 C 0.7812(7) 0.1968(5) 0.5087(5) 0.114(5) Uani 1 1 d . . . . .
H72A H 0.756881 0.217813 0.516265 0.137 Uiso 1 1 calc R U . . .
H72B H 0.791165 0.200104 0.476700 0.137 Uiso 1 1 calc R U . . .
C167 C 0.7833(5) 0.1554(4) 0.6082(5) 0.092(4) Uani 1 1 d . . . . .
H167 H 0.804692 0.145110 0.583014 0.111 Uiso 1 1 calc R U . . .
C68 C 0.7919(6) 0.1289(4) 0.6496(6) 0.123(5) Uani 1 1 d . . . . .
H68A H 0.774017 0.105500 0.640211 0.185 Uiso 1 1 calc R U . . .
H68B H 0.834592 0.125694 0.659544 0.185 Uiso 1 1 calc R U . . .
H68C H 0.772540 0.138710 0.675372 0.185 Uiso 1 1 calc R U . . .
C169 C 0.5495(5) 0.1337(4) 0.2553(6) 0.100(5) Uani 1 1 d . . . . .
H169 H 0.544542 0.154440 0.235878 0.120 Uiso 1 1 calc R U . . .
C170 C 0.5369(6) 0.0998(5) 0.2356(6) 0.112(5) Uani 1 1 d . . . . .
H170 H 0.523644 0.097955 0.203399 0.135 Uiso 1 1 calc R U . . .
C171 C 0.5430(8) 0.0701(4) 0.2612(7) 0.125(6) Uani 1 1 d . . . . .
H171 H 0.534464 0.047263 0.247124 0.149 Uiso 1 1 calc R U . . .
C172 C 0.5622(7) 0.0721(3) 0.3092(7) 0.119(5) Uani 1 1 d . . . . .
H172 H 0.566338 0.050998 0.327893 0.143 Uiso 1 1 calc R U . . .
C173 C 0.5751(5) 0.1073(3) 0.3285(5) 0.071(3) Uani 1 1 d . . . . .
C174 C 0.5955(5) 0.1128(4) 0.3783(5) 0.078(3) Uani 1 1 d . . . . .
C175 C 0.5988(8) 0.0875(5) 0.4172(6) 0.144(7) Uani 1 1 d . . . . .
H175 H 0.592071 0.062161 0.417208 0.173 Uiso 1 1 calc R U . . .
C176 C 0.6142(9) 0.1105(4) 0.4539(7) 0.156(8) Uani 1 1 d . . . . .
H176 H 0.622762 0.102605 0.485089 0.188 Uiso 1 1 calc R U . . .
C177 C 0.2207(5) 0.3746(4) 0.5127(5) 0.102(5) Uani 1 1 d . . . . .
H177 H 0.223717 0.386583 0.484190 0.122 Uiso 1 1 calc R U . . .
C178 C 0.1635(5) 0.3740(4) 0.5332(6) 0.105(5) Uani 1 1 d . . . . .
H178 H 0.129481 0.385352 0.516961 0.126 Uiso 1 1 calc R U . . .
C179 C 0.1583(6) 0.3576(5) 0.5749(7) 0.128(6) Uani 1 1 d . . . . .
H179 H 0.120459 0.356730 0.585977 0.153 Uiso 1 1 calc R U . . .
C180 C 0.2107(7) 0.3411(4) 0.6029(7) 0.140(6) Uani 1 1 d . U . . .
H180 H 0.210433 0.332373 0.633591 0.168 Uiso 1 1 calc R U . . .
C181 C 0.2623(4) 0.3400(3) 0.5777(6) 0.088(4) Uani 1 1 d . . . . .
C182 C 0.3153(7) 0.3203(4) 0.6015(7) 0.117(5) Uani 1 1 d . . . . .
C183 C 0.3245(6) 0.3055(6) 0.6471(8) 0.168(8) Uani 1 1 d . . . . .
H183 H 0.298257 0.304812 0.670253 0.201 Uiso 1 1 calc R U . . .
C184 C 0.3872(6) 0.2915(6) 0.6486(7) 0.190(11) Uani 1 1 d . . . . .
H184 H 0.408928 0.279730 0.674304 0.227 Uiso 1 1 calc R U . . .
C185 C 0.7698(6) 0.5554(5) 0.6999(5) 0.104(5) Uani 1 1 d . . . . .
H185 H 0.766107 0.566210 0.670072 0.125 Uiso 1 1 calc R U . . .
C186 C 0.7837(6) 0.5796(4) 0.7400(5) 0.099(5) Uani 1 1 d . . . . .
H186 H 0.788152 0.604970 0.736933 0.119 Uiso 1 1 calc R U . . .
C187 C 0.7896(6) 0.5627(5) 0.7813(5) 0.113(5) Uani 1 1 d . . . . .
H187 H 0.797475 0.576788 0.808727 0.135 Uiso 1 1 calc R U . . .
C188 C 0.7841(5) 0.5231(4) 0.7855(4) 0.087(4) Uani 1 1 d . . . . .
H188 H 0.790676 0.511575 0.814811 0.104 Uiso 1 1 calc R U . . .
C189 C 0.7689(5) 0.5028(4) 0.7446(4) 0.065(3) Uani 1 1 d . . . . .
C190 C 0.7608(5) 0.4646(4) 0.7453(4) 0.076(3) Uani 1 1 d . . . . .
C191 C 0.7648(7) 0.4406(5) 0.7825(5) 0.122(6) Uani 1 1 d . . . . .
H191 H 0.776555 0.445578 0.814350 0.146 Uiso 1 1 calc R U . . .
C192 C 0.7475(7) 0.4072(6) 0.7619(6) 0.132(6) Uani 1 1 d . . . . .
H192 H 0.743061 0.385359 0.778404 0.158 Uiso 1 1 calc R U . . .
C193 C 1.1102(4) 0.3113(4) 0.4435(4) 0.085(4) Uani 1 1 d . . . . .
H193 H 1.099297 0.328969 0.420242 0.102 Uiso 1 1 calc R U . . .
C194 C 1.1702(5) 0.2978(5) 0.4513(5) 0.107(5) Uani 1 1 d . . . . .
H194 H 1.198228 0.305016 0.431197 0.129 Uiso 1 1 calc R U . . .
C195 C 1.1878(6) 0.2749(4) 0.4872(5) 0.089(4) Uani 1 1 d . . . . .
H195 H 1.228328 0.267995 0.493933 0.107 Uiso 1 1 calc R U . . .
C196 C 1.1454(5) 0.2621(4) 0.5132(4) 0.078(4) Uani 1 1 d . . . . .
H196 H 1.156860 0.245302 0.537356 0.094 Uiso 1 1 calc R U . . .
C197 C 1.0884(5) 0.2727(3) 0.5056(4) 0.065(3) Uani 1 1 d . . . . .
C198 C 1.0404(5) 0.2615(3) 0.5314(4) 0.075(3) Uani 1 1 d . . . . .
C199 C 1.0424(5) 0.2336(4) 0.5668(5) 0.104(5) Uani 1 1 d . . . . .
H199 H 1.074801 0.218663 0.578815 0.125 Uiso 1 1 calc R U . . .
C200 C 0.9826(7) 0.2346(4) 0.5789(5) 0.118(5) Uani 1 1 d . . . . .
H200 H 0.968629 0.220084 0.602332 0.142 Uiso 1 1 calc R U . . .
C201 C 0.5990(5) 0.2783(4) 0.1954(5) 0.084(4) Uani 1 1 d . . . . .
H201 H 0.594017 0.254900 0.181980 0.101 Uiso 1 1 calc R U . . .
C202 C 0.6031(5) 0.2806(3) 0.2448(4) 0.070(3) Uani 1 1 d . . . . .
C203 C 0.6157(5) 0.3143(3) 0.2655(4) 0.073(3) Uani 1 1 d . . . . .
H203 H 0.620710 0.316335 0.298295 0.088 Uiso 1 1 calc R U . . .
C204 C 0.6207(6) 0.3440(4) 0.2390(4) 0.083(4) Uani 1 1 d . . . . .
C205 C 0.6154(7) 0.3387(4) 0.1878(5) 0.116(5) Uani 1 1 d . . . . .
H205 H 0.621775 0.358913 0.168825 0.139 Uiso 1 1 calc R U . . .
C206 C 0.5987(4) 0.2474(3) 0.2765(6) 0.067(4) Uani 1 1 d . . . . .
C207 C 0.6374(10) 0.3816(4) 0.2594(7) 0.159(8) Uani 1 1 d . . . . .
N34 N 0.3550(5) 0.4800(4) 0.3558(5) 0.241(11) Uani 1 1 d G . . . .
C208 C 0.3411(4) 0.4529(4) 0.3873(5) 0.192(9) Uani 1 1 d G U . . .
H208 H 0.301779 0.451122 0.395592 0.230 Uiso 1 1 calc R U . . .
C209 C 0.3859(5) 0.4285(3) 0.4065(4) 0.132(6) Uani 1 1 d G . . . .
C210 C 0.4446(4) 0.4312(3) 0.3941(4) 0.091(4) Uani 1 1 d G . . . .
H210 H 0.474565 0.414859 0.406897 0.110 Uiso 1 1 calc R U . . .
C211 C 0.4586(4) 0.4583(3) 0.3626(4) 0.128(6) Uani 1 1 d DG . . . .
C212 C 0.4138(5) 0.4827(3) 0.3434(4) 0.199(9) Uani 1 1 d G U . . .
H212 H 0.423140 0.500890 0.322316 0.239 Uiso 1 1 calc R U . . .
C213 C 0.3674(7) 0.4039(4) 0.4435(6) 0.100(5) Uani 1 1 d . . . . .
C214 C 0.5223(7) 0.4596(5) 0.3465(7) 0.138(7) Uani 1 1 d D . . . .
C215 C 0.7510(7) 0.5734(4) 0.5025(5) 0.112(5) Uani 1 1 d . . . . .
H215 H 0.761960 0.587620 0.529392 0.134 Uiso 1 1 calc R U . . .
C216 C 0.7336(5) 0.5384(4) 0.5108(4) 0.069(3) Uani 1 1 d . . . . .
C217 C 0.7150(5) 0.5182(3) 0.4709(3) 0.070(3) Uani 1 1 d . . . . .
H217 H 0.702062 0.493974 0.473547 0.084 Uiso 1 1 calc R U . . .
C218 C 0.7154(5) 0.5338(3) 0.4271(4) 0.063(3) Uani 1 1 d . . . . .
C219 C 0.7369(7) 0.5681(4) 0.4232(5) 0.113(5) Uani 1 1 d . . . . .
H219 H 0.740162 0.577732 0.393366 0.135 Uiso 1 1 calc R U . . .
C220 C 0.7358(6) 0.5238(5) 0.5592(5) 0.081(4) Uani 1 1 d . . . . .
C221 C 0.6977(5) 0.5130(3) 0.3829(4) 0.061(3) Uani 1 1 d . . . . .
C222 C 0.9628(9) 0.4089(6) 0.3296(8) 0.166(7) Uani 1 1 d . U . . .
H222 H 1.002178 0.399489 0.332304 0.199 Uiso 1 1 calc R U . . .
C223 C 0.9224(7) 0.3930(4) 0.3553(5) 0.104(5) Uani 1 1 d . . . . .
C224 C 0.8665(5) 0.4048(3) 0.3517(4) 0.076(3) Uani 1 1 d . . . . .
H224 H 0.839295 0.394154 0.370244 0.091 Uiso 1 1 calc R U . . .
C225 C 0.8464(5) 0.4336(5) 0.3198(4) 0.101(5) Uani 1 1 d . . . . .
C226 C 0.8858(8) 0.4489(6) 0.2943(7) 0.181(10) Uani 1 1 d . . . . .
H226 H 0.871530 0.466883 0.272447 0.217 Uiso 1 1 calc R U . . .
C227 C 0.9505(8) 0.3668(4) 0.3925(6) 0.112(5) Uani 1 1 d . . . . .
C228 C 0.7835(5) 0.4454(4) 0.3115(4) 0.070(3) Uani 1 1 d . . . . .
C229 C 0.3246(5) 0.2560(4) 0.3972(5) 0.093(4) Uani 1 1 d . . . . .
H229 H 0.287350 0.266125 0.402470 0.111 Uiso 1 1 calc R U . . .
C230 C 0.3739(4) 0.2677(4) 0.4231(4) 0.075(4) Uani 1 1 d . . . . .
C231 C 0.4302(4) 0.2544(3) 0.4133(4) 0.066(3) Uani 1 1 d . . . . .
H231 H 0.465949 0.262425 0.430906 0.080 Uiso 1 1 calc R U . . .
C232 C 0.4321(5) 0.2302(3) 0.3786(4) 0.071(3) Uani 1 1 d . . . . .
C233 C 0.3789(6) 0.2189(3) 0.3537(4) 0.087(4) Uani 1 1 d . . . . .
H233 H 0.381129 0.202512 0.328813 0.104 Uiso 1 1 calc R U . . .
C234 C 0.3711(5) 0.2982(3) 0.4591(5) 0.073(4) Uani 1 1 d . . . . .
C235 C 0.4928(5) 0.2147(3) 0.3653(6) 0.079(4) Uani 1 1 d . . . . .
C236 C 0.5140(6) 0.4987(3) 0.6291(5) 0.096(4) Uani 1 1 d . . . . .
H236 H 0.532651 0.520307 0.641091 0.115 Uiso 1 1 calc R U . . .
C237 C 0.5516(4) 0.4697(3) 0.6198(4) 0.069(3) Uani 1 1 d . . . . .
C238 C 0.5248(4) 0.4387(3) 0.5995(3) 0.061(3) Uani 1 1 d . . . . .
H238 H 0.548632 0.419083 0.591469 0.073 Uiso 1 1 calc R U . . .
C239 C 0.4608(5) 0.4366(4) 0.5908(4) 0.082(4) Uani 1 1 d . . . . .
C240 C 0.4299(5) 0.4670(4) 0.6036(5) 0.097(4) Uani 1 1 d . . . . .
H240 H 0.387590 0.466065 0.598864 0.117 Uiso 1 1 calc R U . . .
C241 C 0.6186(5) 0.4723(4) 0.6280(3) 0.066(3) Uani 1 1 d . . . . .
C242 C 0.4303(6) 0.4045(4) 0.5672(4) 0.084(4) Uani 1 1 d . . . . .
C243 C 1.0111(6) 0.4207(4) 0.5775(6) 0.103(5) Uani 1 1 d . . . . .
H243 H 1.048346 0.414691 0.567470 0.123 Uiso 1 1 calc R U . . .
C244 C 0.9579(5) 0.4001(3) 0.5603(4) 0.067(3) Uani 1 1 d . . . . .
C245 C 0.9026(5) 0.4086(3) 0.5748(4) 0.063(3) Uani 1 1 d . . . . .
H245 H 0.867518 0.395345 0.564706 0.076 Uiso 1 1 calc R U . . .
C246 C 0.9025(5) 0.4384(4) 0.6057(4) 0.076(3) Uani 1 1 d . . . . .
C247 C 0.9559(6) 0.4555(4) 0.6233(5) 0.108(5) Uani 1 1 d . . . . .
H247 H 0.955442 0.472849 0.647345 0.130 Uiso 1 1 calc R U . . .
C248 C 0.9638(5) 0.3702(3) 0.5282(4) 0.068(3) Uani 1 1 d . . . . .
C249 C 0.8416(6) 0.4527(4) 0.6206(4) 0.078(4) Uani 1 1 d . . . . .
C250 C 0.8168(6) 0.1852(5) 0.3233(6) 0.142(7) Uani 1 1 d . . . . .
H250 H 0.796652 0.171018 0.299085 0.170 Uiso 1 1 calc R U . . .
C251 C 0.7840(6) 0.2032(5) 0.3561(5) 0.103(5) Uani 1 1 d . . . . .
C252 C 0.8139(5) 0.2281(3) 0.3851(4) 0.072(3) Uani 1 1 d . . . . .
H252 H 0.793325 0.241103 0.406559 0.087 Uiso 1 1 calc R U . . .
C253 C 0.8733(5) 0.2343(4) 0.3833(4) 0.082(4) Uani 1 1 d . . . . .
C254 C 0.9036(6) 0.2140(5) 0.3530(6) 0.127(6) Uani 1 1 d . . . . .
H254 H 0.944534 0.218609 0.350877 0.153 Uiso 1 1 calc R U . . .
C255 C 0.7163(6) 0.1979(4) 0.3520(5) 0.080(3) Uani 1 1 d . . . . .
C256 C 0.9065(6) 0.2637(4) 0.4135(5) 0.083(4) Uani 1 1 d . . . . .
N1 N 0.6287(4) 0.4852(3) -0.1614(4) 0.074(3) Uani 1 1 d . . . . .
N2 N 0.6439(4) 0.5570(3) -0.1686(3) 0.069(3) Uani 1 1 d . . . . .
N3 N 0.6490(4) 0.5926(3) -0.1848(3) 0.071(3) Uani 1 1 d . . . . .
N4 N 1.1238(4) 0.6532(4) -0.0028(5) 0.106(4) Uani 1 1 d . . . . .
N5 N 1.0243(4) 0.6896(3) -0.0433(3) 0.085(3) Uani 1 1 d . . . . .
N6 N 0.9851(4) 0.7089(4) -0.0706(5) 0.116(4) Uani 1 1 d . . . . .
N7 N 0.8137(5) 0.8799(3) 0.2213(5) 0.103(4) Uani 1 1 d . . . . .
N10 N 0.3231(3) 0.7154(3) 0.0577(3) 0.068(3) Uani 1 1 d . . . . .
N11 N 0.4051(4) 0.7339(3) 0.0000(3) 0.065(3) Uani 1 1 d . . . . .
N12 N 0.4339(4) 0.7462(3) -0.0359(3) 0.084(3) Uani 1 1 d . . . . .
N13 N 0.6613(8) 0.4249(6) 0.0868(8) 0.213(8) Uani 1 1 d . U . . .
N15 N 0.8120(6) 0.7149(5) 0.3705(5) 0.122(5) Uani 1 1 d . . . . .
N16 N 0.4412(5) 0.5804(4) 0.2353(4) 0.105(4) Uani 1 1 d . . . . .
N17 N 0.9351(6) 0.5090(5) -0.0878(6) 0.154(6) Uani 1 1 d . . . . .
N18 N 1.0580(6) 0.7908(4) 0.1563(6) 0.149(6) Uani 1 1 d . . . . .
N19 N 0.5066(6) 0.8348(4) 0.1871(6) 0.139(5) Uani 1 1 d . . . . .
N20 N 0.3819(5) 0.5608(5) -0.0707(6) 0.198(9) Uani 1 1 d . . . . .
N21 N 0.5682(4) 0.1383(3) 0.2999(5) 0.083(3) Uani 1 1 d . . . . .
N22 N 0.6020(4) 0.1488(3) 0.3944(4) 0.067(2) Uani 1 1 d . . . . .
N23 N 0.6157(5) 0.1459(3) 0.4406(4) 0.095(3) Uani 1 1 d . . . . .
N24 N 0.2709(4) 0.3567(3) 0.5372(4) 0.077(3) Uani 1 1 d . . . . .
N25 N 0.3664(3) 0.3193(3) 0.5787(4) 0.078(3) Uani 1 1 d . . . . .
N26 N 0.4079(4) 0.2984(4) 0.6074(5) 0.124(5) Uani 1 1 d . . . . .
N27 N 0.7618(4) 0.5187(3) 0.7016(4) 0.067(3) Uani 1 1 d . . . . .
N28 N 0.7447(3) 0.4464(3) 0.7050(3) 0.059(2) Uani 1 1 d . . . . .
N29 N 0.7379(4) 0.4106(3) 0.7141(3) 0.080(3) Uani 1 1 d . . . . .
N30 N 1.0688(3) 0.2982(3) 0.4704(4) 0.077(3) Uani 1 1 d . . . . .
N31 N 0.9824(4) 0.2758(3) 0.5238(3) 0.066(3) Uani 1 1 d . . . . .
N32 N 0.9495(4) 0.2583(3) 0.5534(4) 0.086(3) Uani 1 1 d . . . . .
N33 N 0.6018(7) 0.3062(3) 0.1668(4) 0.130(5) Uani 1 1 d . . . . .
N35 N 0.7546(6) 0.5899(3) 0.4635(5) 0.125(4) Uani 1 1 d . . . . .
N36 N 0.9479(8) 0.4396(6) 0.2979(6) 0.212(9) Uani 1 1 d . . . . .
N37 N 0.3250(4) 0.2295(4) 0.3626(4) 0.101(4) Uani 1 1 d . . . . .
N38 N 0.4558(5) 0.4984(3) 0.6227(5) 0.117(4) Uani 1 1 d . . . . .
N39 N 1.0077(5) 0.4478(4) 0.6069(5) 0.138(6) Uani 1 1 d . . . . .
N40 N 0.8753(6) 0.1885(5) 0.3275(5) 0.162(7) Uani 1 1 d . . . . .
O1 O 0.7733(3) 0.6500(3) -0.1778(3) 0.102(3) Uani 1 1 d . . . . .
O2 O 0.8615(4) 0.6842(4) -0.1447(3) 0.107(3) Uani 1 1 d . . . . .
O1W O 0.7245(5) 0.6220(3) 0.1399(3) 0.137(4) Uani 1 1 d . . . . .
O3 O 0.9046(4) 0.7869(3) -0.0427(4) 0.120(4) Uani 1 1 d . . . . .
O2W O 0.7580(3) 0.5524(2) 0.2621(2) 0.074(2) Uani 1 1 d . . . . .
O4 O 0.8460(6) 0.8273(3) -0.0026(4) 0.125(4) Uani 1 1 d . . . . .
O3W O 0.6333(3) 0.47132(18) 0.2808(2) 0.0623(19) Uani 1 1 d . . . . .
O5 O 0.6343(5) 0.8406(3) 0.0094(3) 0.107(3) Uani 1 1 d . . . . .
O4W O 0.6729(4) 0.4018(2) 0.4035(3) 0.112(3) Uani 1 1 d . . . . .
O6 O 0.5455(4) 0.8079(3) -0.0236(4) 0.100(3) Uani 1 1 d . . . . .
O7 O 0.5024(3) 0.7068(3) -0.1270(3) 0.081(2) Uani 1 1 d . . . . .
O8 O 0.5624(3) 0.6651(2) -0.1683(3) 0.076(2) Uani 1 1 d . . . . .
O9 O 0.7476(3) 0.5047(3) -0.1046(3) 0.089(3) Uani 1 1 d . . . . .
O10 O 0.7405(3) 0.5630(3) -0.0848(3) 0.082(2) Uani 1 1 d . . . . .
O11 O 0.5948(4) 0.5765(3) -0.0778(3) 0.088(3) Uani 1 1 d . . . . .
O12 O 0.5516(4) 0.5253(3) -0.1020(4) 0.122(4) Uani 1 1 d . . . . .
O13 O 0.6469(4) 0.4723(3) -0.0515(3) 0.126(4) Uani 1 1 d . . . . .
O14 O 0.6701(4) 0.5249(3) -0.0227(3) 0.103(3) Uani 1 1 d . . . . .
O15 O 1.0674(3) 0.6976(3) 0.0700(3) 0.092(3) Uani 1 1 d . . . . .
O16 O 0.9703(3) 0.7003(3) 0.0485(3) 0.095(3) Uani 1 1 d . . . . .
O17 O 0.9344(4) 0.6295(3) -0.0197(3) 0.107(3) Uani 1 1 d . . . . .
O18 O 1.0204(3) 0.6011(3) -0.0192(3) 0.107(3) Uani 1 1 d . . . . .
O19 O 1.0834(12) 0.5979(8) 0.0873(10) 0.134(10) Uani 0.5 1 d . U P . .
O20 O 0.9812(6) 0.6268(4) 0.0755(5) 0.151(5) Uani 1 1 d . . . . .
O21 O 0.6980(4) 0.8366(3) 0.2071(4) 0.120(4) Uani 1 1 d . . . . .
O22 O 0.7045(4) 0.8006(3) 0.1468(3) 0.098(3) Uani 1 1 d . . . . .
O23 O 0.8439(4) 0.7908(2) 0.1344(3) 0.096(3) Uani 1 1 d . . . . .
O24 O 0.8943(3) 0.8223(3) 0.1918(3) 0.100(3) Uani 1 1 d . . . . .
O25 O 0.8072(4) 0.8058(3) 0.2822(4) 0.132(4) Uani 1 1 d . . . . .
O26 O 0.7915(4) 0.7701(2) 0.2212(4) 0.109(3) Uani 1 1 d . . . . .
O27 O 0.3803(3) 0.6483(2) 0.0220(3) 0.088(3) Uani 1 1 d . . . . .
O28 O 0.4751(3) 0.6631(2) 0.0141(2) 0.0652(19) Uani 1 1 d . . . . .
O29 O 0.5115(3) 0.7366(2) 0.0771(3) 0.075(2) Uani 1 1 d . . . . .
O30 O 0.4304(3) 0.7462(2) 0.1113(2) 0.078(2) Uani 1 1 d . . . . .
O31 O 0.3910(4) 0.6621(3) 0.1313(3) 0.115(3) Uani 1 1 d . U . . .
O32 O 0.4840(4) 0.6649(3) 0.1146(3) 0.113(3) Uani 1 1 d . . . . .
O33 O 0.6918(4) 0.4951(2) 0.1979(3) 0.093(3) Uani 1 1 d . . . . .
O34 O 0.7177(4) 0.5417(2) 0.1537(3) 0.083(3) Uani 1 1 d . . . . .
O35 O 0.8610(8) 0.5303(5) 0.2170(9) 0.305(12) Uani 1 1 d . U . . .
O36 O 0.8373(4) 0.5815(3) 0.1833(3) 0.098(3) Uani 1 1 d . . . . .
O37 O 0.7709(5) 0.6137(4) 0.3137(5) 0.165(5) Uani 1 1 d . U . . .
O38 O 0.7658(3) 0.6361(2) 0.2414(3) 0.079(2) Uani 1 1 d . . . . .
O39 O 0.6221(4) 0.5483(2) 0.2545(3) 0.091(3) Uani 1 1 d . . . . .
O40 O 0.6484(3) 0.5926(2) 0.2074(3) 0.074(2) Uani 1 1 d . . . . .
O41 O 0.5375(4) 0.1774(2) 0.5335(4) 0.106(3) Uani 1 1 d . . . . .
O42 O 0.4808(3) 0.2176(2) 0.5726(4) 0.103(3) Uani 1 1 d . . . . .
O43 O 0.5286(4) 0.3191(3) 0.6789(3) 0.103(3) Uani 1 1 d . . . . .
O44 O 0.6176(4) 0.3509(2) 0.7099(3) 0.087(2) Uani 1 1 d . . . . .
O45 O 0.8261(4) 0.3390(2) 0.6868(3) 0.092(3) Uani 1 1 d . . . . .
O46 O 0.8836(3) 0.2983(3) 0.6437(3) 0.087(3) Uani 1 1 d . . . . .
O47 O 0.8373(3) 0.1960(2) 0.5413(3) 0.084(2) Uani 1 1 d . . . . .
O48 O 0.7469(4) 0.1645(2) 0.5108(3) 0.090(2) Uani 1 1 d . . . . .
O49 O 0.4941(3) 0.1977(2) 0.3290(3) 0.086(3) Uani 1 1 d . . . . .
O50 O 0.5402(3) 0.2225(2) 0.3942(3) 0.077(2) Uani 1 1 d . . . . .
O51 O 0.6892(3) 0.2120(2) 0.3836(3) 0.085(3) Uani 1 1 d . . . . .
O52 O 0.6883(3) 0.1779(2) 0.3209(3) 0.094(3) Uani 1 1 d . . . . .
O53 O 0.5865(4) 0.2159(3) 0.2570(3) 0.102(3) Uani 1 1 d . . . . .
O54 O 0.6049(4) 0.2511(2) 0.3193(3) 0.089(3) Uani 1 1 d . . . . .
O55 O 0.3737(3) 0.4076(2) 0.5562(3) 0.092(3) Uani 1 1 d . . . . .
O56 O 0.4585(3) 0.3766(2) 0.5571(3) 0.078(2) Uani 1 1 d . . . . .
O57 O 0.4172(3) 0.3062(2) 0.4866(3) 0.077(2) Uani 1 1 d . . . . .
O58 O 0.3211(3) 0.3141(2) 0.4615(3) 0.087(3) Uani 1 1 d . . . . .
O59 O 0.3169(4) 0.4011(3) 0.4534(4) 0.123(4) Uani 1 1 d . . . . .
O60 O 0.4101(4) 0.3846(3) 0.4598(3) 0.092(3) Uani 1 1 d . . . . .
O61 O 0.8397(4) 0.4839(3) 0.6389(3) 0.091(3) Uani 1 1 d . . . . .
O62 O 0.7952(3) 0.4322(2) 0.6113(3) 0.080(2) Uani 1 1 d . . . . .
O63 O 0.6513(3) 0.4455(2) 0.6197(3) 0.072(2) Uani 1 1 d . . . . .
O64 O 0.6442(3) 0.5021(2) 0.6448(2) 0.076(2) Uani 1 1 d . . . . .
O65 O 0.7476(4) 0.5417(3) 0.5938(3) 0.112(3) Uani 1 1 d . . . . .
O66 O 0.7221(4) 0.4891(3) 0.5613(3) 0.090(3) Uani 1 1 d . . . . .
O67 O 0.9620(3) 0.2705(2) 0.4066(3) 0.090(3) Uani 1 1 d . . . . .
O68 O 0.8819(3) 0.2794(2) 0.4451(3) 0.075(2) Uani 1 1 d . . . . .
O69 O 0.9173(3) 0.3474(2) 0.5177(3) 0.075(2) Uani 1 1 d . . . . .
O70 O 1.0096(3) 0.3627(2) 0.5084(3) 0.090(3) Uani 1 1 d . . . . .
O71 O 1.0040(5) 0.3552(3) 0.3959(4) 0.123(3) Uani 1 1 d . U . . .
O72 O 0.9123(4) 0.3531(3) 0.4154(3) 0.099(3) Uani 1 1 d . . . . .
O73 O 0.6515(6) 0.4050(4) 0.2314(5) 0.192(5) Uani 1 1 d . U . . .
O74 O 0.6306(3) 0.3856(2) 0.3011(3) 0.076(2) Uani 1 1 d . . . . .
O75 O 0.5274(6) 0.4908(5) 0.3214(7) 0.283(11) Uani 1 1 d . . . . .
O76 O 0.5573(4) 0.4363(2) 0.3566(3) 0.080(2) Uani 1 1 d . . . . .
O77 O 0.7050(4) 0.5276(2) 0.3444(3) 0.097(3) Uani 1 1 d . . . . .
O78 O 0.6754(3) 0.4821(2) 0.3874(2) 0.076(2) Uani 1 1 d . . . . .
O79 O 0.7738(4) 0.4744(3) 0.2867(3) 0.095(3) Uani 1 1 d . . . . .
O80 O 0.7459(3) 0.4293(2) 0.3342(3) 0.080(2) Uani 1 1 d . . . . .
In1 In 1.02611(3) 0.65276(3) 0.02180(3) 0.0854(3) Uani 1 1 d . . . . .
In2 In 0.79194(4) 0.82314(3) 0.18826(3) 0.0820(3) Uani 1 1 d D . . . .
In3 In 0.65339(3) 0.52582(2) -0.10009(3) 0.0678(2) Uani 1 1 d . . . . .
In4 In 0.42348(3) 0.69762(2) 0.06417(3) 0.0572(2) Uani 1 1 d . . . . .
In5 In 0.74608(4) 0.58603(2) 0.20169(3) 0.0679(2) Uani 1 1 d . . . . .
In6 In 0.69659(4) 0.51124(2) 0.27071(3) 0.06103(19) Uani 1 1 d . . . . .
In7 In 0.64810(3) 0.43588(2) 0.33863(2) 0.0577(2) Uani 1 1 d . . . . .
In8 In 0.59554(3) 0.19289(2) 0.33807(3) 0.0642(2) Uani 1 1 d . . . . .
In9 In 0.36437(3) 0.35593(2) 0.51387(3) 0.0684(2) Uani 1 1 d . . . . .
In10 In 0.73880(3) 0.48213(2) 0.63739(2) 0.0604(2) Uani 1 1 d . . . . .
In11 In 0.96806(3) 0.31611(2) 0.46271(3) 0.0618(2) Uani 1 1 d . . . . .
C21 C 0.7523(7) 0.8259(4) 0.0571(5) 0.124(6) Uani 1 1 d D . . . .
O19' O 1.0741(13) 0.6142(8) 0.0872(10) 0.124(10) Uiso 0.5 1 d . . P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
In In -0.7276 1.3100 '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
N3 C1 C2 110.3(9) . . ?
N3 C1 H1A 109.6 . . ?
C2 C1 H1A 109.6 . . ?
N3 C1 H1B 109.6 . . ?
C2 C1 H1B 109.6 . . ?
H1A C1 H1B 108.1 . . ?
C3 C2 C7 116.3(12) . . ?
C3 C2 C1 119.8(12) . . ?
C7 C2 C1 123.9(12) . . ?
O8 C3 C2 115.2(13) . . ?
O8 C3 C4 122.8(10) . . ?
C2 C3 C4 122.0(11) . . ?
C5 C4 C3 116.2(11) . . ?
C5 C4 C39 125.6(12) . . ?
C3 C4 C39 118.2(10) . . ?
C4 C5 C6 126.3(12) . . ?
C4 C5 H5 116.8 . . ?
C6 C5 H5 116.8 . . ?
C7 C6 C5 115.3(12) . . ?
C7 C6 C9 117.8(11) . . ?
C5 C6 C9 126.7(12) . . ?
C6 C7 C2 123.8(13) . . ?
C6 C7 O1 123.4(11) . . ?
C2 C7 O1 112.6(14) . . ?
O1 C8 O2 114.2(11) . . ?
O1 C8 H8A 108.7 . . ?
O2 C8 H8A 108.7 . . ?
O1 C8 H8B 108.7 . . ?
O2 C8 H8B 108.7 . . ?
H8A C8 H8B 107.6 . . ?
C14 C9 C6 106.1(10) . . ?
C14 C9 C10 115.4(14) . . ?
C6 C9 C10 109.9(10) . . ?
C14 C9 H9 108.4 . . ?
C6 C9 H9 108.4 . . ?
C10 C9 H9 108.4 . . ?
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 . . ?
C12 C11 N6 109.6(11) . . ?
C12 C11 H11A 109.8 . . ?
N6 C11 H11A 109.8 . . ?
C12 C11 H11B 109.8 . . ?
N6 C11 H11B 109.8 . . ?
H11A C11 H11B 108.2 . . ?
C13 C12 C11 129(2) . . ?
C13 C12 C17 112.6(16) . . ?
C11 C12 C17 118.1(15) . . ?
C12 C13 C14 130.6(18) . . ?
C12 C13 O2 112.1(16) . . ?
C14 C13 O2 117.2(15) . . ?
C13 C14 C15 115.3(14) . . ?
C13 C14 C9 121.5(16) . . ?
C15 C14 C9 123.2(14) . . ?
C16 C15 C14 125.2(16) . . ?
C16 C15 H15 117.4 . . ?
C14 C15 H15 117.4 . . ?
C15 C16 C19 129.6(16) . . ?
C15 C16 C17 112.5(18) . . ?
C19 C16 C17 118.0(17) . . ?
O3 C17 C16 117.7(19) . . ?
O3 C17 C12 118.4(14) . . ?
C16 C17 C12 123.9(17) . . ?
O4 C18 O3 117.8(16) . . ?
O4 C18 H18A 107.9 . . ?
O3 C18 H18A 107.9 . . ?
O4 C18 H18B 107.9 . . ?
O3 C18 H18B 107.9 . . ?
H18A C18 H18B 107.2 . . ?
C16 C19 C24 108.6(13) . . ?
C16 C19 C20 112.1(17) . . ?
C24 C19 C20 111.7(15) . . ?
C16 C19 H19 108.1 . . ?
C24 C19 H19 108.1 . . ?
C20 C19 H19 108.1 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C27 C22 C23 115.0(15) . . ?
C27 C22 C21 123.8(16) . . ?
C23 C22 C21 121.2(14) . . ?
O4 C23 C24 121.0(17) . . ?
O4 C23 C22 115.3(15) . . ?
C24 C23 C22 123.3(15) . . ?
C23 C24 C25 117.8(14) . . ?
C23 C24 C19 118.4(15) . . ?
C25 C24 C19 123.2(15) . . ?
C26 C25 C24 121.3(14) . . ?
C26 C25 H25 119.4 . . ?
C24 C25 H25 119.4 . . ?
C25 C26 C27 119.5(14) . . ?
C25 C26 C29 118.5(13) . . ?
C27 C26 C29 121.9(13) . . ?
C22 C27 O5 118.9(15) . . ?
C22 C27 C26 123.0(16) . . ?
O5 C27 C26 118.0(13) . . ?
O6 C28 O5 113.7(12) . . ?
O6 C28 H28A 108.8 . . ?
O5 C28 H28A 108.8 . . ?
O6 C28 H28B 108.8 . . ?
O5 C28 H28B 108.8 . . ?
H28A C28 H28B 107.7 . . ?
C30 C29 C34 116.0(12) . . ?
C30 C29 C26 117.0(11) . . ?
C34 C29 C26 108.6(10) . . ?
C30 C29 H29 104.6 . . ?
C34 C29 H29 104.6 . . ?
C26 C29 H29 104.6 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 N12 108.2(9) . . ?
C32 C31 H31A 110.1 . . ?
N12 C31 H31A 110.1 . . ?
C32 C31 H31B 110.1 . . ?
N12 C31 H31B 110.1 . . ?
H31A C31 H31B 108.4 . . ?
C37 C32 C33 119.9(12) . . ?
C37 C32 C31 124.4(14) . . ?
C33 C32 C31 115.6(12) . . ?
O6 C33 C34 120.0(14) . . ?
O6 C33 C32 121.2(12) . . ?
C34 C33 C32 118.7(12) . . ?
C33 C34 C35 119.6(13) . . ?
C33 C34 C29 123.3(13) . . ?
C35 C34 C29 117.1(13) . . ?
C36 C35 C34 120.5(12) . . ?
C36 C35 H35 119.7 . . ?
C34 C35 H35 119.7 . . ?
C37 C36 C35 117.7(12) . . ?
C37 C36 C39 120.1(12) . . ?
C35 C36 C39 122.2(11) . . ?
C32 C37 C36 123.5(13) . . ?
C32 C37 O7 116.2(11) . . ?
C36 C37 O7 120.3(12) . . ?
O7 C38 O8 113.9(9) . . ?
O7 C38 H38A 108.8 . . ?
O8 C38 H38A 108.8 . . ?
O7 C38 H38B 108.8 . . ?
O8 C38 H38B 108.8 . . ?
H38A C38 H38B 107.7 . . ?
C4 C39 C40 110.3(9) . . ?
C4 C39 C36 108.6(9) . . ?
C40 C39 C36 112.9(10) . . ?
C4 C39 H39 108.3 . . ?
C40 C39 H39 108.3 . . ?
C36 C39 H39 108.3 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
N1 C129 C139 125.7(15) . . ?
N1 C129 H129 117.2 . . ?
C139 C129 H129 117.2 . . ?
C149 C139 C129 114.5(16) . . ?
C149 C139 H139 122.8 . . ?
C129 C139 H139 122.8 . . ?
C159 C149 C139 122.6(13) . . ?
C159 C149 H149 118.7 . . ?
C139 C149 H149 118.7 . . ?
C149 C159 C45 117.1(14) . . ?
C149 C159 H159 121.5 . . ?
C45 C159 H159 121.5 . . ?
N1 C45 C159 121.5(14) . . ?
N1 C45 C46 116.5(10) . . ?
C159 C45 C46 122.0(13) . . ?
C47 C46 N2 114.0(12) . . ?
C47 C46 C45 130.5(12) . . ?
N2 C46 C45 115.5(11) . . ?
C46 C47 C48 104.7(11) . . ?
C46 C47 H47 127.6 . . ?
C48 C47 H47 127.6 . . ?
N3 C48 C47 106.2(12) . . ?
N3 C48 H48 126.9 . . ?
C47 C48 H48 126.9 . . ?
N4 C49 C50 119.3(14) . . ?
N4 C49 H49 120.3 . . ?
C50 C49 H49 120.3 . . ?
C49 C50 C51 119.3(13) . . ?
C49 C50 H50 120.4 . . ?
C51 C50 H50 120.4 . . ?
C52 C51 C50 114.7(13) . . ?
C52 C51 H51 122.7 . . ?
C50 C51 H51 122.7 . . ?
C53 C52 C51 122.2(15) . . ?
C53 C52 H52 118.9 . . ?
C51 C52 H52 118.9 . . ?
N4 C53 C52 120.5(14) . . ?
N4 C53 C54 116.4(12) . . ?
C52 C53 C54 123.1(15) . . ?
N5 C54 C55 107.5(12) . . ?
N5 C54 C53 122.0(14) . . ?
C55 C54 C53 130.3(14) . . ?
C54 C55 C56 108.8(15) . . ?
C54 C55 H55 125.6 . . ?
C56 C55 H55 125.6 . . ?
N6 C56 C55 102.9(16) . . ?
N6 C56 H56 128.5 . . ?
C55 C56 H56 128.5 . . ?
N7 C57 C58 120.1(16) . . ?
N7 C57 H57 119.9 . . ?
C58 C57 H57 119.9 . . ?
C59 C58 C57 117(2) . . ?
C59 C58 H58 121.3 . . ?
C57 C58 H58 121.3 . . ?
C58 C59 C60 121(2) . . ?
C58 C59 H59 119.3 . . ?
C60 C59 H59 119.3 . . ?
C59 C60 C61 117(3) . . ?
C59 C60 H60 121.6 . . ?
C61 C60 H60 121.6 . . ?
C62 C61 N7 113(3) . . ?
C62 C61 C60 125(3) . . ?
N7 C61 C60 120(2) . . ?
N8 N9 C64 117.9(17) . . ?
N8 N9 C21 116.1(15) . . ?
C64 N9 C21 125.2(19) . . ?
N9 N8 C62 104.6(17) . . ?
N9 N8 In2 143.5(12) . . ?
C62 N8 In2 111.9(14) . . ?
C61 C62 N8 124(3) . . ?
C61 C62 C63 125(3) . . ?
N8 C62 C63 108(3) . . ?
C62 C63 C64 107(3) . . ?
C62 C63 H63 126.7 . . ?
C64 C63 H63 126.7 . . ?
N9 C64 C63 101(2) . . ?
N9 C64 H64 129.4 . . ?
C63 C64 H64 129.4 . . ?
N10 C136 C138 122.7(12) . . ?
N10 C136 H136 118.7 . . ?
C138 C136 H136 118.7 . . ?
C136 C138 C146 113.9(12) . . ?
C136 C138 H138 123.1 . . ?
C146 C138 H138 123.1 . . ?
C148 C146 C138 120.1(12) . . ?
C148 C146 H146 120.0 . . ?
C138 C146 H146 120.0 . . ?
C146 C148 C156 119.1(15) . . ?
C146 C148 H148 120.5 . . ?
C156 C148 H148 120.5 . . ?
N10 C156 C148 123.7(12) . . ?
N10 C156 C158 114.9(9) . . ?
C148 C156 C158 121.4(13) . . ?
C166 C158 N11 110.7(10) . . ?
C166 C158 C156 131.3(10) . . ?
N11 C158 C156 118.1(10) . . ?
C158 C166 C168 108.7(10) . . ?
C158 C166 H166 125.6 . . ?
C168 C166 H166 125.6 . . ?
N12 C168 C166 102.8(10) . . ?
N12 C168 H168 128.6 . . ?
C166 C168 H168 128.6 . . ?
N13 C73 C74 122(2) . . ?
N13 C73 H73 118.9 . . ?
C74 C73 H73 118.9 . . ?
C75 C74 C73 115.6(13) . . ?
C75 C74 C78 123.5(13) . . ?
C73 C74 C78 120.4(16) . . ?
C76 C75 C74 120.3(11) . . ?
C76 C75 H75 119.9 . . ?
C74 C75 H75 119.9 . . ?
C77 C76 C75 116.6(13) . . ?
C77 C76 C79 121.5(13) . . ?
C75 C76 C79 121.9(11) . . ?
N13 C77 C76 130(2) . . ?
N13 C77 H77 114.9 . . ?
C76 C77 H77 114.9 . . ?
O13 C78 O14 121.1(12) . . ?
O13 C78 C74 124.2(16) . . ?
O14 C78 C74 114.8(14) . . ?
O13 C78 In3 65.4(8) . . ?
O14 C78 In3 55.7(6) . . ?
C74 C78 In3 170.5(13) . . ?
O34 C79 O33 126.2(11) . . ?
O34 C79 C76 118.9(10) . . ?
O33 C79 C76 114.8(12) . . ?
C80 N14 C84 120.0 . . ?
C81 C80 N14 120.0 . . ?
C81 C80 H80 120.0 . . ?
N14 C80 H80 120.0 . . ?
C80 C81 C82 120.0 . . ?
C80 C81 C85 119.4(13) . . ?
C82 C81 C85 120.6(13) . . ?
C83 C82 C81 120.0 . . ?
C83 C82 H82 120.0 . . ?
C81 C82 H82 120.0 . . ?
C82 C83 C84 120.0 . . ?
C82 C83 C86 119.8(12) . . ?
C84 C83 C86 119.9(12) . . ?
C83 C84 N14 120.0 . . ?
C83 C84 H84 120.0 . . ?
N14 C84 H84 120.0 . . ?
O19' C85 O20 119(3) . . ?
O19' C85 O19 26(2) . . ?
O20 C85 O19 135(2) . . ?
O19' C85 C81 127(3) . . ?
O20 C85 C81 113.7(15) . . ?
O19 C85 C81 106(2) . . ?
O19' C85 In1 67.1(18) . . ?
O20 C85 In1 52.1(10) . . ?
O19 C85 In1 85.3(15) . . ?
C81 C85 In1 164.1(13) . . ?
O36 C86 O35 125(2) . . ?
O36 C86 C83 118.6(18) . . ?
O35 C86 C83 112.8(18) . . ?
N15 C87 C88 122.7(15) . . ?
N15 C87 H87 118.7 . . ?
C88 C87 H87 118.7 . . ?
C89 C88 C87 119.2(14) . . ?
C89 C88 C92 121.1(15) . . ?
C87 C88 C92 119.6(15) . . ?
C88 C89 C90 116.8(13) . . ?
C88 C89 H89 121.6 . . ?
C90 C89 H89 121.6 . . ?
C91 C90 C89 120.0(13) . . ?
C91 C90 C93 120.5(15) . . ?
C89 C90 C93 119.5(13) . . ?
N15 C91 C90 118.6(15) . . ?
N15 C91 H91 120.7 . . ?
C90 C91 H91 120.7 . . ?
O25 C92 O26 123.0(18) . . ?
O25 C92 C88 124.2(16) . . ?
O26 C92 C88 112.7(13) . . ?
O38 C93 O37 128.6(14) . . ?
O38 C93 C90 116.5(13) . . ?
O37 C93 C90 114.1(14) . . ?
N16 C94 C95 125.5(12) . . ?
N16 C94 H94 117.3 . . ?
C95 C94 H94 117.3 . . ?
C96 C95 C94 115.6(12) . . ?
C96 C95 C99 121.8(12) . . ?
C94 C95 C99 122.3(13) . . ?
C97 C96 C95 121.0(12) . . ?
C97 C96 H96 119.5 . . ?
C95 C96 H96 119.5 . . ?
C96 C97 C98 118.0(10) . . ?
C96 C97 C100 121.6(11) . . ?
C98 C97 C100 120.4(11) . . ?
N16 C98 C97 126.2(11) . . ?
N16 C98 H98 116.9 . . ?
C97 C98 H98 116.9 . . ?
O32 C99 O31 123.3(14) . . ?
O32 C99 C95 117.4(12) . . ?
O31 C99 C95 119.3(13) . . ?
O32 C99 In4 54.9(7) . . ?
O31 C99 In4 68.5(8) . . ?
C95 C99 In4 171.4(10) . . ?
O40 C100 O39 126.0(10) . . ?
O40 C100 C97 116.9(11) . . ?
O39 C100 C97 117.0(10) . . ?
N17 C101 C102 125.4(13) . . ?
N17 C101 H101 117.3 . . ?
C102 C101 H101 117.3 . . ?
C103 C102 C101 115.7(13) . . ?
C103 C102 C106 123.5(13) . . ?
C101 C102 C106 120.8(12) . . ?
C104 C103 C102 119.9(13) . . ?
C104 C103 H103 120.0 . . ?
C102 C103 H103 120.0 . . ?
C103 C104 C105 121.0(12) . . ?
C103 C104 C107 123.4(12) . . ?
C105 C104 C107 115.6(13) . . ?
N17 C105 C104 123.7(14) . . ?
N17 C105 H105 118.1 . . ?
C104 C105 H105 118.1 . . ?
O17 C106 O18 125.0(13) . . ?
O17 C106 C102 116.4(11) . . ?
O18 C106 C102 118.6(13) . . ?
O17 C106 In1 66.9(8) . . ?
O18 C106 In1 58.6(7) . . ?
C102 C106 In1 173.9(11) . . ?
O9 C107 O10 121.7(12) . . ?
O9 C107 C104 121.9(12) . . ?
O10 C107 C104 116.3(13) . . ?
O9 C107 In3 58.3(6) . . ?
O10 C107 In3 63.4(6) . . ?
C104 C107 In3 175.4(8) . . ?
N18 C108 C109 121.5(14) . . ?
N18 C108 H108 119.2 . . ?
C109 C108 H108 119.2 . . ?
C110 C109 C108 119.3(12) . . ?
C110 C109 C113 121.8(12) . . ?
C108 C109 C113 118.9(13) . . ?
C109 C110 C111 117.5(11) . . ?
C109 C110 H110 121.3 . . ?
C111 C110 H110 121.3 . . ?
C112 C111 C110 119.5(13) . . ?
C112 C111 C114 120.5(12) . . ?
C110 C111 C114 119.9(11) . . ?
N18 C112 C111 120.0(13) . . ?
N18 C112 H112 120.0 . . ?
C111 C112 H112 120.0 . . ?
O24 C113 O23 116.9(12) . . ?
O24 C113 C109 121.2(11) . . ?
O23 C113 C109 121.9(12) . . ?
O24 C113 In2 56.7(6) . . ?
O23 C113 In2 60.5(6) . . ?
C109 C113 In2 175.5(10) . . ?
O15 C114 O16 119.6(15) . . ?
O15 C114 C111 121.2(13) . . ?
O16 C114 C111 119.2(12) . . ?
O15 C114 In1 58.7(8) . . ?
O16 C114 In1 61.1(8) . . ?
C111 C114 In1 176.0(9) . . ?
N19 C115 C116 123.3(12) . . ?
N19 C115 H115 118.3 . . ?
C116 C115 H115 118.3 . . ?
C115 C116 C117 120.3(11) . . ?
C115 C116 C120 117.2(11) . . ?
C117 C116 C120 122.4(11) . . ?
C118 C117 C116 118.7(11) . . ?
C118 C117 H117 120.7 . . ?
C116 C117 H117 120.7 . . ?
C117 C118 C119 118.6(11) . . ?
C117 C118 C121 119.0(13) . . ?
C119 C118 C121 122.2(13) . . ?
N19 C119 C118 121.4(13) . . ?
N19 C119 H119 119.3 . . ?
C118 C119 H119 119.3 . . ?
O30 C120 O29 118.6(11) . . ?
O30 C120 C116 123.5(11) . . ?
O29 C120 C116 117.7(10) . . ?
O30 C120 In4 54.9(6) . . ?
O29 C120 In4 63.7(6) . . ?
C116 C120 In4 174.0(9) . . ?
O22 C121 O21 120.0(11) . . ?
O22 C121 C118 121.8(13) . . ?
O21 C121 C118 118.2(14) . . ?
O22 C121 In2 60.7(6) . . ?
O21 C121 In2 59.2(6) . . ?
C118 C121 In2 177.5(12) . . ?
C123 C122 N20 121.7(17) . . ?
C123 C122 H122 119.2 . . ?
N20 C122 H122 119.2 . . ?
C124 C123 C122 116.9(13) . . ?
C124 C123 C127 122.8(11) . . ?
C122 C123 C127 117.9(14) . . ?
C123 C124 C125 121.8(11) . . ?
C123 C124 H124 119.1 . . ?
C125 C124 H124 119.1 . . ?
C124 C125 C126 117.9(12) . . ?
C124 C125 C128 121.3(10) . . ?
C126 C125 C128 120.7(11) . . ?
N20 C126 C125 125.2(13) . . ?
N20 C126 H126 117.4 . . ?
C125 C126 H126 117.4 . . ?
O11 C127 O12 120.3(12) . . ?
O11 C127 C123 119.6(13) . . ?
O12 C127 C123 120.1(13) . . ?
O11 C127 In3 63.3(7) . . ?
O12 C127 In3 57.3(6) . . ?
C123 C127 In3 172.9(11) . . ?
O28 C128 O27 121.4(10) . . ?
O28 C128 C125 121.1(9) . . ?
O27 C128 C125 117.1(9) . . ?
O28 C128 In4 60.8(6) . . ?
O27 C128 In4 60.7(6) . . ?
C125 C128 In4 175.7(9) . . ?
N23 C41 C130 112.8(10) . . ?
N23 C41 H41A 109.0 . . ?
C130 C41 H41A 109.0 . . ?
N23 C41 H41B 109.0 . . ?
C130 C41 H41B 109.0 . . ?
H41A C41 H41B 107.8 . . ?
C135 C130 C131 117.0(12) . . ?
C135 C130 C41 123.2(11) . . ?
C131 C130 C41 119.6(11) . . ?
C132 C131 O48 121.2(11) . . ?
C132 C131 C130 120.8(12) . . ?
O48 C131 C130 118.0(12) . . ?
C131 C132 C133 119.0(11) . . ?
C131 C132 C167 119.1(11) . . ?
C133 C132 C167 121.8(12) . . ?
C132 C133 C134 121.0(12) . . ?
C132 C133 H133 119.5 . . ?
C134 C133 H133 119.5 . . ?
C135 C134 C133 117.6(12) . . ?
C135 C134 C137 122.1(11) . . ?
C133 C134 C137 120.3(12) . . ?
C134 C135 O41 117.5(11) . . ?
C134 C135 C130 124.5(11) . . ?
O41 C135 C130 117.9(11) . . ?
O41 C69 O42 109.3(12) . . ?
O41 C69 H69A 109.8 . . ?
O42 C69 H69A 109.8 . . ?
O41 C69 H69B 109.8 . . ?
O42 C69 H69B 109.8 . . ?
H69A C69 H69B 108.3 . . ?
C142 C137 C65 113.5(12) . . ?
C142 C137 C134 107.5(9) . . ?
C65 C137 C134 112.8(10) . . ?
C142 C137 H137 107.6 . . ?
C65 C137 H137 107.6 . . ?
C134 C137 H137 107.6 . . ?
C137 C65 H65A 109.5 . . ?
C137 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C137 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
N26 C42 C140 110.5(9) . . ?
N26 C42 H42A 109.5 . . ?
C140 C42 H42A 109.5 . . ?
N26 C42 H42B 109.5 . . ?
C140 C42 H42B 109.5 . . ?
H42A C42 H42B 108.1 . . ?
C141 C140 C145 115.3(12) . . ?
C141 C140 C42 125.5(13) . . ?
C145 C140 C42 119.1(13) . . ?
C140 C141 C142 126.0(14) . . ?
C140 C141 O42 116.9(12) . . ?
C142 C141 O42 116.9(13) . . ?
C141 C142 C143 114.6(14) . . ?
C141 C142 C137 122.7(14) . . ?
C143 C142 C137 122.5(12) . . ?
C144 C143 C142 125.5(13) . . ?
C144 C143 H143 117.3 . . ?
C142 C143 H143 117.3 . . ?
C143 C144 C145 114.4(15) . . ?
C143 C144 C147 122.7(12) . . ?
C145 C144 C147 122.7(14) . . ?
C144 C145 O43 118.3(14) . . ?
C144 C145 C140 124.1(14) . . ?
O43 C145 C140 117.6(11) . . ?
O44 C70 O43 113.1(11) . . ?
O44 C70 H70A 109.0 . . ?
O43 C70 H70A 109.0 . . ?
O44 C70 H70B 109.0 . . ?
O43 C70 H70B 109.0 . . ?
H70A C70 H70B 107.8 . . ?
C152 C147 C66 116.7(11) . . ?
C152 C147 C144 106.9(9) . . ?
C66 C147 C144 110.9(12) . . ?
C152 C147 H147 107.3 . . ?
C66 C147 H147 107.3 . . ?
C144 C147 H147 107.3 . . ?
C147 C66 H66A 109.5 . . ?
C147 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C147 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
N29 C43 C150 112.5(10) . . ?
N29 C43 H43A 109.1 . . ?
C150 C43 H43A 109.1 . . ?
N29 C43 H43B 109.1 . . ?
C150 C43 H43B 109.1 . . ?
H43A C43 H43B 107.8 . . ?
C151 C150 C155 118.2(12) . . ?
C151 C150 C43 120.3(12) . . ?
C155 C150 C43 121.5(12) . . ?
C150 C151 O44 120.4(12) . . ?
C150 C151 C152 122.9(12) . . ?
O44 C151 C152 116.6(12) . . ?
C153 C152 C151 117.7(12) . . ?
C153 C152 C147 118.4(13) . . ?
C151 C152 C147 123.9(12) . . ?
C152 C153 C154 120.4(12) . . ?
C152 C153 H153 119.8 . . ?
C154 C153 H153 119.8 . . ?
C155 C154 C153 117.8(11) . . ?
C155 C154 C157 121.1(12) . . ?
C153 C154 C157 121.0(13) . . ?
C154 C155 O45 120.4(12) . . ?
C154 C155 C150 122.9(12) . . ?
O45 C155 C150 116.5(12) . . ?
O46 C71 O45 111.2(11) . . ?
O46 C71 H71A 109.4 . . ?
O45 C71 H71A 109.4 . . ?
O46 C71 H71B 109.4 . . ?
O45 C71 H71B 109.4 . . ?
H71A C71 H71B 108.0 . . ?
C162 C157 C154 106.4(10) . . ?
C162 C157 C67 110.8(12) . . ?
C154 C157 C67 113.8(11) . . ?
C162 C157 H157 108.6 . . ?
C154 C157 H157 108.6 . . ?
C67 C157 H157 108.6 . . ?
C157 C67 H67A 109.5 . . ?
C157 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C157 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
N32 C44 C160 110.7(9) . . ?
N32 C44 H44A 109.5 . . ?
C160 C44 H44A 109.5 . . ?
N32 C44 H44B 109.5 . . ?
C160 C44 H44B 109.5 . . ?
H44A C44 H44B 108.1 . . ?
C165 C160 C161 118.1(12) . . ?
C165 C160 C44 122.7(12) . . ?
C161 C160 C44 119.2(12) . . ?
C160 C161 O46 119.9(11) . . ?
C160 C161 C162 123.1(12) . . ?
O46 C161 C162 117.0(13) . . ?
C163 C162 C161 114.9(13) . . ?
C163 C162 C157 125.0(13) . . ?
C161 C162 C157 120.2(13) . . ?
C162 C163 C164 128.4(12) . . ?
C162 C163 H163 115.8 . . ?
C164 C163 H163 115.8 . . ?
C163 C164 C165 111.4(13) . . ?
C163 C164 C167 129.2(12) . . ?
C165 C164 C167 119.1(14) . . ?
C160 C165 O47 119.8(12) . . ?
C160 C165 C164 124.0(13) . . ?
O47 C165 C164 115.7(14) . . ?
O48 C72 O47 112.3(12) . . ?
O48 C72 H72A 109.2 . . ?
O47 C72 H72A 109.2 . . ?
O48 C72 H72B 109.2 . . ?
O47 C72 H72B 109.2 . . ?
H72A C72 H72B 107.9 . . ?
C164 C167 C68 112.0(12) . . ?
C164 C167 C132 108.1(10) . . ?
C68 C167 C132 113.7(11) . . ?
C164 C167 H167 107.6 . . ?
C68 C167 H167 107.6 . . ?
C132 C167 H167 107.6 . . ?
C167 C68 H68A 109.5 . . ?
C167 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C167 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
N21 C169 C170 122.9(14) . . ?
N21 C169 H169 118.6 . . ?
C170 C169 H169 118.6 . . ?
C171 C170 C169 120.8(15) . . ?
C171 C170 H170 119.6 . . ?
C169 C170 H170 119.6 . . ?
C170 C171 C172 120.8(14) . . ?
C170 C171 H171 119.6 . . ?
C172 C171 H171 119.6 . . ?
C171 C172 C173 117.2(14) . . ?
C171 C172 H172 121.4 . . ?
C173 C172 H172 121.4 . . ?
N21 C173 C172 120.2(13) . . ?
N21 C173 C174 117.6(11) . . ?
C172 C173 C174 122.2(13) . . ?
N22 C174 C175 110.5(12) . . ?
N22 C174 C173 117.6(11) . . ?
C175 C174 C173 130.5(13) . . ?
C176 C175 C174 100.9(14) . . ?
C176 C175 H175 129.5 . . ?
C174 C175 H175 129.5 . . ?
N23 C176 C175 112.7(17) . . ?
N23 C176 H176 123.6 . . ?
C175 C176 H176 123.6 . . ?
N24 C177 C178 118.1(13) . . ?
N24 C177 H177 121.0 . . ?
C178 C177 H177 121.0 . . ?
C179 C178 C177 122.0(14) . . ?
C179 C178 H178 119.0 . . ?
C177 C178 H178 119.0 . . ?
C178 C179 C180 121.3(14) . . ?
C178 C179 H179 119.4 . . ?
C180 C179 H179 119.4 . . ?
C181 C180 C179 111.7(15) . . ?
C181 C180 H180 124.1 . . ?
C179 C180 H180 124.1 . . ?
N24 C181 C180 129.0(12) . . ?
N24 C181 C182 115.5(11) . . ?
C180 C181 C182 115.2(14) . . ?
N25 C182 C183 113.2(13) . . ?
N25 C182 C181 116.9(14) . . ?
C183 C182 C181 129.4(14) . . ?
C182 C183 C184 101.1(13) . . ?
C182 C183 H183 129.5 . . ?
C184 C183 H183 129.5 . . ?
N26 C184 C183 109.3(14) . . ?
N26 C184 H184 125.3 . . ?
C183 C184 H184 125.3 . . ?
N27 C185 C186 126.1(13) . . ?
N27 C185 H185 116.9 . . ?
C186 C185 H185 116.9 . . ?
C187 C186 C185 114.5(14) . . ?
C187 C186 H186 122.8 . . ?
C185 C186 H186 122.8 . . ?
C186 C187 C188 122.1(13) . . ?
C186 C187 H187 118.9 . . ?
C188 C187 H187 118.9 . . ?
C189 C188 C187 118.2(12) . . ?
C189 C188 H188 120.9 . . ?
C187 C188 H188 120.9 . . ?
N27 C189 C188 121.9(13) . . ?
N27 C189 C190 115.9(11) . . ?
C188 C189 C190 122.2(12) . . ?
N28 C190 C191 109.7(14) . . ?
N28 C190 C189 120.0(12) . . ?
C191 C190 C189 130.3(13) . . ?
C190 C191 C192 103.9(14) . . ?
C190 C191 H191 128.0 . . ?
C192 C191 H191 128.0 . . ?
N29 C192 C191 110.3(15) . . ?
N29 C192 H192 124.8 . . ?
C191 C192 H192 124.8 . . ?
N30 C193 C194 118.6(12) . . ?
N30 C193 H193 120.7 . . ?
C194 C193 H193 120.7 . . ?
C195 C194 C193 121.3(13) . . ?
C195 C194 H194 119.4 . . ?
C193 C194 H194 119.4 . . ?
C194 C195 C196 118.5(11) . . ?
C194 C195 H195 120.7 . . ?
C196 C195 H195 120.7 . . ?
C197 C196 C195 121.8(12) . . ?
C197 C196 H196 119.1 . . ?
C195 C196 H196 119.1 . . ?
C196 C197 N30 121.5(11) . . ?
C196 C197 C198 126.5(12) . . ?
N30 C197 C198 111.9(9) . . ?
N31 C198 C197 123.6(11) . . ?
N31 C198 C199 109.1(9) . . ?
C197 C198 C199 127.2(11) . . ?
C200 C199 C198 101.8(10) . . ?
C200 C199 H199 129.1 . . ?
C198 C199 H199 129.1 . . ?
N32 C200 C199 111.4(12) . . ?
N32 C200 H200 124.3 . . ?
C199 C200 H200 124.3 . . ?
N33 C201 C202 125.3(12) . . ?
N33 C201 H201 117.3 . . ?
C202 C201 H201 117.3 . . ?
C203 C202 C201 118.2(12) . . ?
C203 C202 C206 118.3(12) . . ?
C201 C202 C206 123.4(11) . . ?
C204 C203 C202 120.3(12) . . ?
C204 C203 H203 119.8 . . ?
C202 C203 H203 119.8 . . ?
C203 C204 C205 117.2(12) . . ?
C203 C204 C207 123.2(12) . . ?
C205 C204 C207 119.3(13) . . ?
N33 C205 C204 123.2(13) . . ?
N33 C205 H205 118.4 . . ?
C204 C205 H205 118.4 . . ?
O54 C206 O53 121.4(12) . . ?
O54 C206 C202 120.3(10) . . ?
O53 C206 C202 118.2(13) . . ?
O54 C206 In8 55.0(7) . . ?
O53 C206 In8 66.5(7) . . ?
C202 C206 In8 175.1(9) . . ?
O74 C207 O73 128.3(18) . . ?
O74 C207 C204 115.2(14) . . ?
O73 C207 C204 116.2(17) . . ?
C208 N34 C212 120.0 . . ?
N34 C208 C209 120.0 . . ?
N34 C208 H208 120.0 . . ?
C209 C208 H208 120.0 . . ?
C210 C209 C208 120.0 . . ?
C210 C209 C213 124.8(9) . . ?
C208 C209 C213 114.9(9) . . ?
C209 C210 C211 120.0 . . ?
C209 C210 H210 120.0 . . ?
C211 C210 H210 120.0 . . ?
C212 C211 C210 120.0 . . ?
C212 C211 C214 120.0(10) . . ?
C210 C211 C214 119.9(10) . . ?
C211 C212 N34 120.0 . . ?
C211 C212 H212 120.0 . . ?
N34 C212 H212 120.0 . . ?
O59 C213 O60 124.5(15) . . ?
O59 C213 C209 124.6(13) . . ?
O60 C213 C209 110.6(13) . . ?
O59 C213 In9 69.9(9) . . ?
O60 C213 In9 55.0(8) . . ?
C209 C213 In9 165.4(10) . . ?
O76 C214 O75 130.4(12) . . ?
O76 C214 C211 120.8(14) . . ?
O75 C214 C211 108.8(14) . . ?
N35 C215 C216 129.8(13) . . ?
N35 C215 H215 115.1 . . ?
C216 C215 H215 115.1 . . ?
C215 C216 C217 114.6(11) . . ?
C215 C216 C220 121.5(12) . . ?
C217 C216 C220 123.9(12) . . ?
C218 C217 C216 120.1(11) . . ?
C218 C217 H217 119.9 . . ?
C216 C217 H217 119.9 . . ?
C219 C218 C217 119.9(11) . . ?
C219 C218 C221 117.4(11) . . ?
C217 C218 C221 122.5(10) . . ?
C218 C219 N35 121.2(12) . . ?
C218 C219 H219 119.4 . . ?
N35 C219 H219 119.4 . . ?
O65 C220 O66 121.6(14) . . ?
O65 C220 C216 124.2(15) . . ?
O66 C220 C216 114.2(13) . . ?
O65 C220 In10 68.7(8) . . ?
O66 C220 In10 53.0(6) . . ?
C216 C220 In10 166.8(11) . . ?
O78 C221 O77 124.9(10) . . ?
O78 C221 C218 116.0(10) . . ?
O77 C221 C218 119.1(10) . . ?
C223 C222 N36 123.4(15) . . ?
C223 C222 H222 118.3 . . ?
N36 C222 H222 118.3 . . ?
C224 C223 C222 120.3(13) . . ?
C224 C223 C227 124.9(13) . . ?
C222 C223 C227 114.0(14) . . ?
C223 C224 C225 120.9(11) . . ?
C223 C224 H224 119.6 . . ?
C225 C224 H224 119.6 . . ?
C226 C225 C224 118.8(12) . . ?
C226 C225 C228 118.2(13) . . ?
C224 C225 C228 122.8(11) . . ?
C225 C226 N36 124.3(15) . . ?
C225 C226 H226 117.8 . . ?
N36 C226 H226 117.8 . . ?
O72 C227 O71 121.7(15) . . ?
O72 C227 C223 112.1(15) . . ?
O71 C227 C223 125.3(14) . . ?
O72 C227 In11 51.9(8) . . ?
O71 C227 In11 70.2(9) . . ?
C223 C227 In11 163.9(12) . . ?
O80 C228 O79 126.3(11) . . ?
O80 C228 C225 117.6(11) . . ?
O79 C228 C225 115.4(12) . . ?
C230 C229 N37 123.5(12) . . ?
C230 C229 H229 118.3 . . ?
N37 C229 H229 118.3 . . ?
C229 C230 C231 118.6(12) . . ?
C229 C230 C234 121.2(11) . . ?
C231 C230 C234 119.9(10) . . ?
C232 C231 C230 119.1(10) . . ?
C232 C231 H231 120.4 . . ?
C230 C231 H231 120.4 . . ?
C231 C232 C233 118.9(10) . . ?
C231 C232 C235 121.9(11) . . ?
C233 C232 C235 119.1(12) . . ?
N37 C233 C232 124.3(12) . . ?
N37 C233 H233 117.9 . . ?
C232 C233 H233 117.9 . . ?
O57 C234 O58 121.2(11) . . ?
O57 C234 C230 120.1(10) . . ?
O58 C234 C230 118.6(10) . . ?
O57 C234 In9 62.5(6) . . ?
O58 C234 In9 59.3(6) . . ?
C230 C234 In9 173.9(9) . . ?
O49 C235 O50 124.0(12) . . ?
O49 C235 C232 120.4(12) . . ?
O50 C235 C232 115.6(12) . . ?
O49 C235 In8 58.7(6) . . ?
O50 C235 In8 65.4(6) . . ?
C232 C235 In8 175.5(9) . . ?
N38 C236 C237 125.7(11) . . ?
N38 C236 H236 117.1 . . ?
C237 C236 H236 117.1 . . ?
C238 C237 C236 117.6(9) . . ?
C238 C237 C241 119.8(10) . . ?
C236 C237 C241 122.5(11) . . ?
C237 C238 C239 119.7(10) . . ?
C237 C238 H238 120.1 . . ?
C239 C238 H238 120.1 . . ?
C240 C239 C238 115.7(11) . . ?
C240 C239 C242 122.9(11) . . ?
C238 C239 C242 121.3(11) . . ?
N38 C240 C239 125.4(10) . . ?
N38 C240 H240 117.3 . . ?
C239 C240 H240 117.3 . . ?
O63 C241 O64 118.9(10) . . ?
O63 C241 C237 120.9(12) . . ?
O64 C241 C237 120.1(10) . . ?
O63 C241 In10 62.0(6) . . ?
O64 C241 In10 57.3(5) . . ?
C237 C241 In10 174.8(9) . . ?
O56 C242 O55 121.9(12) . . ?
O56 C242 C239 122.4(11) . . ?
O55 C242 C239 115.6(13) . . ?
O56 C242 In9 65.4(7) . . ?
O55 C242 In9 56.8(6) . . ?
C239 C242 In9 169.2(10) . . ?
N39 C243 C244 120.5(11) . . ?
N39 C243 H243 119.8 . . ?
C244 C243 H243 119.8 . . ?
C245 C244 C243 120.5(11) . . ?
C245 C244 C248 121.0(10) . . ?
C243 C244 C248 118.6(10) . . ?
C244 C245 C246 115.7(10) . . ?
C244 C245 H245 122.1 . . ?
C246 C245 H245 122.1 . . ?
C247 C246 C245 120.8(11) . . ?
C247 C246 C249 119.2(13) . . ?
C245 C246 C249 120.0(11) . . ?
N39 C247 C246 121.5(13) . . ?
N39 C247 H247 119.2 . . ?
C246 C247 H247 119.2 . . ?
O70 C248 O69 114.5(11) . . ?
O70 C248 C244 126.4(11) . . ?
O69 C248 C244 119.1(10) . . ?
O61 C249 O62 123.4(12) . . ?
O61 C249 C246 119.5(13) . . ?
O62 C249 C246 117.1(13) . . ?
O61 C249 In10 58.6(6) . . ?
O62 C249 In10 64.9(6) . . ?
C246 C249 In10 173.3(8) . . ?
N40 C250 C251 119.1(15) . . ?
N40 C250 H250 120.5 . . ?
C251 C250 H250 120.5 . . ?
C252 C251 C250 117.7(12) . . ?
C252 C251 C255 123.2(12) . . ?
C250 C251 C255 118.5(13) . . ?
C253 C252 C251 120.1(11) . . ?
C253 C252 H252 120.0 . . ?
C251 C252 H252 120.0 . . ?
C252 C253 C254 119.4(12) . . ?
C252 C253 C256 120.7(12) . . ?
C254 C253 C256 119.8(11) . . ?
N40 C254 C253 119.9(13) . . ?
N40 C254 H254 120.1 . . ?
C253 C254 H254 120.1 . . ?
O51 C255 O52 120.5(12) . . ?
O51 C255 C251 116.8(12) . . ?
O52 C255 C251 122.4(12) . . ?
O51 C255 In8 64.9(6) . . ?
O52 C255 In8 56.7(6) . . ?
C251 C255 In8 174.6(10) . . ?
O68 C256 O67 122.1(12) . . ?
O68 C256 C253 120.7(12) . . ?
O67 C256 C253 117.2(12) . . ?
O68 C256 In11 62.0(7) . . ?
O67 C256 In11 60.3(6) . . ?
C253 C256 In11 176.9(10) . . ?
C129 N1 C45 118.3(11) . . ?
C129 N1 In3 123.1(9) . . ?
C45 N1 In3 118.6(9) . . ?
C46 N2 N3 102.1(10) . . ?
C46 N2 In3 118.4(9) . . ?
N3 N2 In3 139.5(7) . . ?
C48 N3 N2 112.8(10) . . ?
C48 N3 C1 131.1(12) . . ?
N2 N3 C1 116.0(9) . . ?
C53 N4 C49 123.9(11) . . ?
C53 N4 In1 115.0(9) . . ?
C49 N4 In1 121.0(11) . . ?
N6 N5 C54 106.5(11) . . ?
N6 N5 In1 138.4(8) . . ?
C54 N5 In1 115.1(9) . . ?
N5 N6 C56 113.7(12) . . ?
N5 N6 C11 118.2(12) . . ?
C56 N6 C11 127.5(14) . . ?
C57 N7 C61 120.1(16) . . ?
C57 N7 In2 125.2(10) . . ?
C61 N7 In2 114.4(14) . . ?
C156 N10 C136 118.4(9) . . ?
C156 N10 In4 117.9(7) . . ?
C136 N10 In4 123.7(8) . . ?
N12 N11 C158 103.6(8) . . ?
N12 N11 In4 139.1(7) . . ?
C158 N11 In4 116.9(7) . . ?
N11 N12 C168 113.9(9) . . ?
N11 N12 C31 117.1(9) . . ?
C168 N12 C31 128.9(10) . . ?
C77 N13 C73 113(2) . . ?
C87 N15 C91 122.2(16) . . ?
C98 N16 C94 113.7(11) . . ?
C101 N17 C105 114.1(14) . . ?
C108 N18 C112 121.9(13) . . ?
C115 N19 C119 117.2(12) . . ?
C126 N20 C122 112.2(13) . . ?
C169 N21 C173 118.1(11) . . ?
C169 N21 In8 127.4(10) . . ?
C173 N21 In8 114.5(9) . . ?
N23 N22 C174 105.0(10) . . ?
N23 N22 In8 138.9(8) . . ?
C174 N22 In8 115.8(8) . . ?
N22 N23 C176 110.3(13) . . ?
N22 N23 C41 118.9(10) . . ?
C176 N23 C41 130.8(14) . . ?
C181 N24 C177 117.0(9) . . ?
C181 N24 In9 118.7(7) . . ?
C177 N24 In9 124.3(9) . . ?
C182 N25 N26 105.2(10) . . ?
C182 N25 In9 115.6(9) . . ?
N26 N25 In9 138.5(6) . . ?
C184 N26 N25 110.5(10) . . ?
C184 N26 C42 131.0(11) . . ?
N25 N26 C42 117.1(9) . . ?
C185 N27 C189 117.1(11) . . ?
C185 N27 In10 124.6(9) . . ?
C189 N27 In10 118.3(8) . . ?
N29 N28 C190 109.8(10) . . ?
N29 N28 In10 135.2(7) . . ?
C190 N28 In10 115.0(9) . . ?
N28 N29 C192 106.1(12) . . ?
N28 N29 C43 122.5(10) . . ?
C192 N29 C43 131.2(14) . . ?
C193 N30 C197 118.0(8) . . ?
C193 N30 In11 124.1(8) . . ?
C197 N30 In11 117.9(7) . . ?
N32 N31 C198 106.9(9) . . ?
N32 N31 In11 138.8(7) . . ?
C198 N31 In11 113.9(7) . . ?
C200 N32 N31 110.8(10) . . ?
C200 N32 C44 130.8(11) . . ?
N31 N32 C44 118.4(9) . . ?
C201 N33 C205 115.3(12) . . ?
C215 N35 C219 114.1(12) . . ?
C226 N36 C222 112.1(15) . . ?
C233 N37 C229 115.4(10) . . ?
C236 N38 C240 115.8(10) . . ?
C243 N39 C247 120.4(12) . . ?
C250 N40 C254 122.2(14) . . ?
C8 O1 C7 111.2(10) . . ?
C13 O2 C8 116.4(10) . . ?
C17 O3 C18 118.0(10) . . ?
In6 O2W In5 120.0(3) . . ?
C18 O4 C23 117.0(13) . . ?
In6 O3W In7 119.9(3) . . ?
C27 O5 C28 116.1(11) . . ?
C33 O6 C28 116.9(10) . . ?
C38 O7 C37 117.4(9) . . ?
C3 O8 C38 117.4(8) . . ?
C107 O9 In3 93.2(7) . . ?
C107 O10 In3 87.9(8) . . ?
C127 O11 In3 89.2(8) . . ?
C127 O12 In3 94.5(8) . . ?
C78 O13 In3 87.9(9) . . ?
C78 O14 In3 96.4(8) . . ?
C114 O15 In1 93.2(9) . . ?
C114 O16 In1 90.1(8) . . ?
C106 O17 In1 85.5(8) . . ?
C106 O18 In1 92.7(8) . . ?
O19' O19 C85 54(4) . . ?
C85 O20 In1 99.6(11) . . ?
C121 O21 In2 92.3(8) . . ?
C121 O22 In2 90.8(7) . . ?
C113 O23 In2 90.6(7) . . ?
C113 O24 In2 95.3(7) . . ?
C92 O26 In2 105.8(10) . . ?
C128 O27 In4 89.5(6) . . ?
C128 O28 In4 91.7(6) . . ?
C120 O29 In4 87.0(6) . . ?
C120 O30 In4 98.4(7) . . ?
C99 O31 In4 83.3(8) . . ?
C99 O32 In4 98.5(9) . . ?
C79 O33 In6 136.6(8) . . ?
C79 O34 In5 134.1(7) . . ?
C86 O36 In5 125.5(12) . . ?
C93 O38 In5 125.3(9) . . ?
C100 O39 In6 135.4(7) . . ?
C100 O40 In5 134.9(7) . . ?
C135 O41 C69 118.3(10) . . ?
C69 O42 C141 116.7(9) . . ?
C145 O43 C70 122.5(9) . . ?
C70 O44 C151 119.9(9) . . ?
C155 O45 C71 116.0(9) . . ?
C161 O46 C71 116.9(9) . . ?
C165 O47 C72 114.5(9) . . ?
C131 O48 C72 115.5(10) . . ?
C235 O49 In8 93.9(7) . . ?
C235 O50 In8 85.3(7) . . ?
C255 O51 In8 87.1(8) . . ?
C255 O52 In8 95.4(8) . . ?
C206 O53 In8 84.5(8) . . ?
C206 O54 In8 98.0(7) . . ?
C242 O55 In9 94.9(8) . . ?
C242 O56 In9 86.7(7) . . ?
C234 O57 In9 89.2(6) . . ?
C234 O58 In9 92.1(7) . . ?
C213 O59 In9 83.7(9) . . ?
C213 O60 In9 97.9(9) . . ?
C249 O61 In10 92.9(8) . . ?
C249 O62 In10 86.0(8) . . ?
C241 O63 In10 90.1(7) . . ?
C241 O64 In10 94.0(7) . . ?
C220 O65 In10 85.2(9) . . ?
C220 O66 In10 98.4(8) . . ?
C256 O67 In11 90.5(8) . . ?
C256 O68 In11 89.9(7) . . ?
C248 O69 In11 91.7(6) . . ?
C248 O70 In11 97.2(7) . . ?
C227 O71 In11 82.6(9) . . ?
C227 O72 In11 101.6(10) . . ?
C207 O74 In7 123.5(10) . . ?
C214 O76 In7 124.4(9) . . ?
C221 O77 In6 137.0(8) . . ?
C221 O78 In7 134.6(7) . . ?
C228 O79 In6 134.4(8) . . ?
C228 O80 In7 134.2(8) . . ?
O20 In1 O18 90.2(4) . . ?
O20 In1 O15 94.1(4) . . ?
O18 In1 O15 158.6(3) . . ?
O20 In1 N5 151.0(4) . . ?
O18 In1 N5 94.1(4) . . ?
O15 In1 N5 92.3(3) . . ?
O20 In1 O16 77.3(4) . . ?
O18 In1 O16 144.4(3) . . ?
O15 In1 O16 56.8(3) . . ?
N5 In1 O16 82.6(3) . . ?
O20 In1 N4 137.5(5) . . ?
O18 In1 N4 81.0(3) . . ?
O15 In1 N4 81.7(3) . . ?
N5 In1 N4 71.4(4) . . ?
O16 In1 N4 130.0(4) . . ?
O20 In1 O17 76.0(5) . . ?
O18 In1 O17 56.2(3) . . ?
O15 In1 O17 145.1(3) . . ?
N5 In1 O17 82.7(3) . . ?
O16 In1 O17 88.3(3) . . ?
N4 In1 O17 127.9(4) . . ?
O20 In1 O19' 53.5(7) . . ?
O18 In1 O19' 84.9(7) . . ?
O15 In1 O19' 80.9(7) . . ?
N5 In1 O19' 155.5(7) . . ?
O16 In1 O19' 112.0(7) . . ?
N4 In1 O19' 84.3(8) . . ?
O17 In1 O19' 116.1(7) . . ?
O20 In1 C106 80.1(5) . . ?
O18 In1 C106 28.7(3) . . ?
O15 In1 C106 171.7(4) . . ?
N5 In1 C106 90.1(4) . . ?
O16 In1 C106 115.7(4) . . ?
N4 In1 C106 106.6(4) . . ?
O17 In1 C106 27.6(3) . . ?
O19' In1 C106 100.1(7) . . ?
O20 In1 C114 84.1(5) . . ?
O18 In1 C114 172.2(4) . . ?
O15 In1 C114 28.1(3) . . ?
N5 In1 C114 88.4(4) . . ?
O16 In1 C114 28.8(3) . . ?
N4 In1 C114 106.8(4) . . ?
O17 In1 C114 117.1(4) . . ?
O19' In1 C114 95.8(7) . . ?
C106 In1 C114 144.2(4) . . ?
O20 In1 C85 28.3(4) . . ?
O18 In1 C85 85.9(4) . . ?
O15 In1 C85 87.9(4) . . ?
N5 In1 C85 179.3(5) . . ?
O16 In1 C85 96.9(5) . . ?
N4 In1 C85 109.3(6) . . ?
O17 In1 C85 96.7(5) . . ?
O19' In1 C85 25.2(7) . . ?
C106 In1 C85 89.6(5) . . ?
C114 In1 C85 91.4(5) . . ?
N8 In2 O26 154.6(5) . . ?
N8 In2 O24 92.4(4) . . ?
O26 In2 O24 91.4(3) . . ?
N8 In2 O21 92.8(4) . . ?
O26 In2 O21 92.1(4) . . ?
O24 In2 O21 159.9(3) . . ?
N8 In2 N7 75.7(5) . . ?
O26 In2 N7 129.7(5) . . ?
O24 In2 N7 80.4(4) . . ?
O21 In2 N7 82.1(4) . . ?
N8 In2 O22 80.0(4) . . ?
O26 In2 O22 81.9(4) . . ?
O24 In2 O22 143.1(3) . . ?
O21 In2 O22 57.0(3) . . ?
N7 In2 O22 130.9(4) . . ?
N8 In2 O23 78.9(5) . . ?
O26 In2 O23 82.3(4) . . ?
O24 In2 O23 56.8(3) . . ?
O21 In2 O23 143.2(3) . . ?
N7 In2 O23 128.6(4) . . ?
O22 In2 O23 86.3(3) . . ?
N8 In2 C121 86.1(4) . . ?
O26 In2 C121 86.4(4) . . ?
O24 In2 C121 171.6(5) . . ?
O21 In2 C121 28.5(4) . . ?
N7 In2 C121 107.2(5) . . ?
O22 In2 C121 28.5(4) . . ?
O23 In2 C121 114.8(4) . . ?
N8 In2 C113 87.0(5) . . ?
O26 In2 C113 84.7(4) . . ?
O24 In2 C113 28.0(3) . . ?
O21 In2 C113 171.9(4) . . ?
N7 In2 C113 105.6(4) . . ?
O22 In2 C113 115.0(4) . . ?
O23 In2 C113 28.9(3) . . ?
C121 In2 C113 143.5(5) . . ?
O14 In3 O9 90.4(3) . . ?
O14 In3 N2 150.4(4) . . ?
O9 In3 N2 96.5(3) . . ?
O14 In3 O12 94.1(4) . . ?
O9 In3 O12 159.0(4) . . ?
N2 In3 O12 89.6(4) . . ?
O14 In3 N1 138.6(4) . . ?
O9 In3 N1 82.9(3) . . ?
N2 In3 N1 71.0(4) . . ?
O12 In3 N1 80.2(3) . . ?
O14 In3 O10 77.6(3) . . ?
O9 In3 O10 57.1(3) . . ?
N2 In3 O10 82.1(3) . . ?
O12 In3 O10 143.8(3) . . ?
N1 In3 O10 128.6(3) . . ?
O14 In3 O11 77.0(3) . . ?
O9 In3 O11 145.1(3) . . ?
N2 In3 O11 81.1(3) . . ?
O12 In3 O11 55.6(3) . . ?
N1 In3 O11 127.6(3) . . ?
O10 In3 O11 88.2(3) . . ?
O14 In3 O13 54.6(3) . . ?
O9 In3 O13 83.0(3) . . ?
N2 In3 O13 154.8(3) . . ?
O12 In3 O13 83.0(4) . . ?
N1 In3 O13 84.0(4) . . ?
O10 In3 O13 117.4(3) . . ?
O11 In3 O13 113.5(3) . . ?
O14 In3 C107 82.6(3) . . ?
O9 In3 C107 28.5(3) . . ?
N2 In3 C107 89.8(3) . . ?
O12 In3 C107 172.3(4) . . ?
N1 In3 C107 106.8(4) . . ?
O10 In3 C107 28.6(3) . . ?
O11 In3 C107 116.7(4) . . ?
O13 In3 C107 100.6(4) . . ?
O14 In3 C78 27.9(4) . . ?
O9 In3 C78 86.3(4) . . ?
N2 In3 C78 177.0(4) . . ?
O12 In3 C78 88.2(4) . . ?
N1 In3 C78 110.7(5) . . ?
O10 In3 C78 98.5(4) . . ?
O11 In3 C78 95.9(4) . . ?
O13 In3 C78 26.7(4) . . ?
C107 In3 C78 92.1(4) . . ?
O14 In3 C127 83.4(4) . . ?
O9 In3 C127 171.6(4) . . ?
N2 In3 C127 86.3(4) . . ?
O12 In3 C127 28.2(3) . . ?
N1 In3 C127 105.5(4) . . ?
O10 In3 C127 115.7(4) . . ?
O11 In3 C127 27.5(3) . . ?
O13 In3 C127 97.9(4) . . ?
C107 In3 C127 144.1(5) . . ?
C78 In3 C127 90.8(4) . . ?
O32 In4 O30 92.4(3) . . ?
O32 In4 N11 152.4(3) . . ?
O30 In4 N11 91.2(3) . . ?
O32 In4 O27 96.0(4) . . ?
O30 In4 O27 158.8(3) . . ?
N11 In4 O27 90.3(3) . . ?
O32 In4 N10 135.5(4) . . ?
O30 In4 N10 79.7(3) . . ?
N11 In4 N10 72.0(3) . . ?
O27 In4 N10 80.7(3) . . ?
O32 In4 O28 78.5(3) . . ?
O30 In4 O28 143.8(3) . . ?
N11 In4 O28 82.5(3) . . ?
O27 In4 O28 57.3(2) . . ?
N10 In4 O28 130.5(3) . . ?
O32 In4 O29 78.2(3) . . ?
O30 In4 O29 56.1(3) . . ?
N11 In4 O29 81.1(3) . . ?
O27 In4 O29 144.9(3) . . ?
N10 In4 O29 127.4(3) . . ?
O28 In4 O29 87.7(3) . . ?
O32 In4 O31 54.9(3) . . ?
O30 In4 O31 87.2(3) . . ?
N11 In4 O31 152.7(3) . . ?
O27 In4 O31 81.8(3) . . ?
N10 In4 O31 80.9(3) . . ?
O28 In4 O31 114.0(3) . . ?
O29 In4 O31 119.5(3) . . ?
O32 In4 C128 87.1(4) . . ?
O30 In4 C128 171.0(3) . . ?
N11 In4 C128 85.2(4) . . ?
O27 In4 C128 29.8(3) . . ?
N10 In4 C128 106.9(3) . . ?
O28 In4 C128 27.5(2) . . ?
O29 In4 C128 115.1(3) . . ?
O31 In4 C128 99.8(3) . . ?
O32 In4 C99 26.7(3) . . ?
O30 In4 C99 90.7(3) . . ?
N11 In4 C99 178.0(4) . . ?
O27 In4 C99 88.2(3) . . ?
N10 In4 C99 109.1(4) . . ?
O28 In4 C99 95.6(3) . . ?
O29 In4 C99 99.3(3) . . ?
O31 In4 C99 28.3(3) . . ?
C128 In4 C99 92.8(4) . . ?
O32 In4 C120 84.7(4) . . ?
O30 In4 C120 26.8(3) . . ?
N11 In4 C120 86.2(3) . . ?
O27 In4 C120 173.8(3) . . ?
N10 In4 C120 103.1(4) . . ?
O28 In4 C120 117.0(3) . . ?
O29 In4 C120 29.3(3) . . ?
O31 In4 C120 103.5(3) . . ?
C128 In4 C120 144.4(4) . . ?
C99 In4 C120 95.1(4) . . ?
O2W In5 O36 97.2(3) . . ?
O2W In5 O34 94.9(3) . . ?
O36 In5 O34 90.0(4) . . ?
O2W In5 O38 93.5(3) . . ?
O36 In5 O38 93.2(3) . . ?
O34 In5 O38 170.6(3) . . ?
O2W In5 O1W 174.5(3) . . ?
O36 In5 O1W 88.3(4) . . ?
O34 In5 O1W 85.1(4) . . ?
O38 In5 O1W 86.1(4) . . ?
O2W In5 O40 91.8(3) . . ?
O36 In5 O40 170.1(3) . . ?
O34 In5 O40 84.9(3) . . ?
O38 In5 O40 90.6(3) . . ?
O1W In5 O40 82.7(3) . . ?
O2W In6 O3W 177.9(3) . . ?
O2W In6 O39 91.3(3) . . ?
O3W In6 O39 87.2(3) . . ?
O2W In6 O33 92.3(3) . . ?
O3W In6 O33 89.2(3) . . ?
O39 In6 O33 90.8(3) . . ?
O2W In6 O77 86.2(3) . . ?
O3W In6 O77 92.3(3) . . ?
O39 In6 O77 90.7(3) . . ?
O33 In6 O77 177.9(4) . . ?
O2W In6 O79 87.5(3) . . ?
O3W In6 O79 94.1(3) . . ?
O39 In6 O79 178.8(4) . . ?
O33 In6 O79 88.9(3) . . ?
O77 In6 O79 89.5(3) . . ?
O3W In7 O74 97.4(3) . . ?
O3W In7 O76 97.0(3) . . ?
O74 In7 O76 90.4(3) . . ?
O3W In7 O80 94.8(3) . . ?
O74 In7 O80 90.0(3) . . ?
O76 In7 O80 168.0(3) . . ?
O3W In7 O78 92.0(3) . . ?
O74 In7 O78 169.8(3) . . ?
O76 In7 O78 92.2(3) . . ?
O80 In7 O78 85.5(3) . . ?
O3W In7 O4W 173.6(3) . . ?
O74 In7 O4W 87.4(3) . . ?
O76 In7 O4W 87.2(3) . . ?
O80 In7 O4W 80.9(3) . . ?
O78 In7 O4W 82.9(3) . . ?
O54 In8 O52 93.7(3) . . ?
O54 In8 O49 91.2(3) . . ?
O52 In8 O49 158.5(3) . . ?
O54 In8 N22 148.8(4) . . ?
O52 In8 N22 90.1(3) . . ?
O49 In8 N22 96.5(3) . . ?
O54 In8 N21 137.6(4) . . ?
O52 In8 N21 83.3(3) . . ?
O49 In8 N21 79.0(3) . . ?
N22 In8 N21 73.7(4) . . ?
O54 In8 O50 78.6(3) . . ?
O52 In8 O50 144.7(3) . . ?
O49 In8 O50 56.8(3) . . ?
N22 In8 O50 80.5(3) . . ?
N21 In8 O50 125.2(3) . . ?
O54 In8 O51 75.8(3) . . ?
O52 In8 O51 55.6(3) . . ?
O49 In8 O51 145.7(3) . . ?
N22 In8 O51 81.0(3) . . ?
N21 In8 O51 131.4(3) . . ?
O50 In8 O51 89.2(3) . . ?
O54 In8 O53 56.0(3) . . ?
O52 In8 O53 81.3(3) . . ?
O49 In8 O53 84.1(3) . . ?
N22 In8 O53 154.9(4) . . ?
N21 In8 O53 81.9(4) . . ?
O50 In8 O53 119.4(3) . . ?
O51 In8 O53 112.3(3) . . ?
O54 In8 C235 83.8(4) . . ?
O52 In8 C235 174.0(4) . . ?
O49 In8 C235 27.5(3) . . ?
N22 In8 C235 89.2(4) . . ?
N21 In8 C235 102.2(4) . . ?
O50 In8 C235 29.4(3) . . ?
O51 In8 C235 118.4(4) . . ?
O53 In8 C235 101.7(4) . . ?
O54 In8 C206 27.1(3) . . ?
O52 In8 C206 86.5(3) . . ?
O49 In8 C206 88.4(3) . . ?
N22 In8 C206 174.0(3) . . ?
N21 In8 C206 110.8(4) . . ?
O50 In8 C206 99.5(3) . . ?
O51 In8 C206 93.0(3) . . ?
O53 In8 C206 28.9(3) . . ?
C235 In8 C206 93.6(4) . . ?
O54 In8 C255 81.2(4) . . ?
O52 In8 C255 27.9(3) . . ?
O49 In8 C255 171.4(4) . . ?
N22 In8 C255 88.0(3) . . ?
N21 In8 C255 109.4(4) . . ?
O50 In8 C255 117.2(4) . . ?
O51 In8 C255 28.0(3) . . ?
O53 In8 C255 94.9(3) . . ?
C235 In8 C255 146.1(5) . . ?
C206 In8 C255 86.7(3) . . ?
O60 In9 O55 87.8(3) . . ?
O60 In9 N24 135.8(4) . . ?
O55 In9 N24 81.8(3) . . ?
O60 In9 O58 92.8(3) . . ?
O55 In9 O58 158.2(3) . . ?
N24 In9 O58 82.6(3) . . ?
O60 In9 N25 151.5(3) . . ?
O55 In9 N25 93.5(4) . . ?
N24 In9 N25 72.3(3) . . ?
O58 In9 N25 96.3(3) . . ?
O60 In9 O57 80.9(3) . . ?
O55 In9 O57 144.4(3) . . ?
N24 In9 O57 128.7(3) . . ?
O58 In9 O57 56.7(2) . . ?
N25 In9 O57 81.7(3) . . ?
O60 In9 O56 76.6(3) . . ?
O55 In9 O56 56.1(3) . . ?
N24 In9 O56 128.0(3) . . ?
O58 In9 O56 145.0(3) . . ?
N25 In9 O56 80.5(3) . . ?
O57 In9 O56 88.4(3) . . ?
O60 In9 O59 53.3(3) . . ?
O55 In9 O59 80.0(3) . . ?
N24 In9 O59 82.5(3) . . ?
O58 In9 O59 82.8(3) . . ?
N25 In9 O59 154.7(3) . . ?
O57 In9 O59 117.4(3) . . ?
O56 In9 O59 114.4(3) . . ?
O60 In9 C234 84.1(4) . . ?
O55 In9 C234 170.2(3) . . ?
N24 In9 C234 107.8(3) . . ?
O58 In9 C234 28.6(3) . . ?
N25 In9 C234 91.1(4) . . ?
O57 In9 C234 28.3(3) . . ?
O56 In9 C234 116.4(3) . . ?
O59 In9 C234 99.3(4) . . ?
O60 In9 C242 79.6(3) . . ?
O55 In9 C242 28.3(3) . . ?
N24 In9 C242 106.6(4) . . ?
O58 In9 C242 170.7(3) . . ?
N25 In9 C242 88.1(4) . . ?
O57 In9 C242 116.1(4) . . ?
O56 In9 C242 27.9(3) . . ?
O59 In9 C242 96.7(4) . . ?
C234 In9 C242 143.6(4) . . ?
O60 In9 C213 27.0(3) . . ?
O55 In9 C213 81.4(4) . . ?
N24 In9 C213 108.8(4) . . ?
O58 In9 C213 89.3(4) . . ?
N25 In9 C213 174.4(4) . . ?
O57 In9 C213 101.2(4) . . ?
O56 In9 C213 94.8(4) . . ?
O59 In9 C213 26.4(3) . . ?
C234 In9 C213 93.7(4) . . ?
C242 In9 C213 86.4(4) . . ?
O66 In10 O61 93.8(3) . . ?
O66 In10 O64 90.4(3) . . ?
O61 In10 O64 158.5(3) . . ?
O66 In10 N27 137.2(4) . . ?
O61 In10 N27 80.7(3) . . ?
O64 In10 N27 81.9(3) . . ?
O66 In10 N28 152.0(4) . . ?
O61 In10 N28 92.5(3) . . ?
O64 In10 N28 93.6(3) . . ?
N27 In10 N28 70.8(4) . . ?
O66 In10 O63 79.2(3) . . ?
O61 In10 O63 144.9(3) . . ?
O64 In10 O63 56.6(3) . . ?
N27 In10 O63 127.1(3) . . ?
N28 In10 O63 80.0(3) . . ?
O66 In10 O62 78.9(3) . . ?
O61 In10 O62 57.6(3) . . ?
O64 In10 O62 143.8(3) . . ?
N27 In10 O62 128.6(3) . . ?
N28 In10 O62 81.6(3) . . ?
O63 In10 O62 87.3(3) . . ?
O66 In10 O65 54.5(3) . . ?
O61 In10 O65 81.2(3) . . ?
O64 In10 O65 84.2(3) . . ?
N27 In10 O65 82.7(3) . . ?
N28 In10 O65 153.4(3) . . ?
O63 In10 O65 119.3(3) . . ?
O62 In10 O65 115.3(3) . . ?
O66 In10 C249 85.0(3) . . ?
O61 In10 C249 28.6(4) . . ?
O64 In10 C249 172.3(4) . . ?
N27 In10 C249 105.7(4) . . ?
N28 In10 C249 87.7(3) . . ?
O63 In10 C249 116.4(4) . . ?
O62 In10 C249 29.1(3) . . ?
O65 In10 C249 98.0(4) . . ?
O66 In10 C241 82.3(3) . . ?
O61 In10 C241 172.4(4) . . ?
O64 In10 C241 28.7(3) . . ?
N27 In10 C241 106.6(3) . . ?
N28 In10 C241 88.0(3) . . ?
O63 In10 C241 28.0(3) . . ?
O62 In10 C241 115.1(4) . . ?
O65 In10 C241 101.6(3) . . ?
C249 In10 C241 144.0(5) . . ?
O66 In10 C220 28.6(3) . . ?
O61 In10 C220 85.7(3) . . ?
O64 In10 C220 88.0(3) . . ?
N27 In10 C220 108.7(5) . . ?
N28 In10 C220 178.2(3) . . ?
O63 In10 C220 101.6(4) . . ?
O62 In10 C220 97.6(4) . . ?
O65 In10 C220 26.0(3) . . ?
C249 In10 C220 90.8(4) . . ?
C241 In10 C220 93.8(4) . . ?
O72 In11 O70 93.4(3) . . ?
O72 In11 N31 152.8(3) . . ?
O70 In11 N31 91.6(3) . . ?
O72 In11 O67 91.7(3) . . ?
O70 In11 O67 157.9(2) . . ?
N31 In11 O67 93.6(3) . . ?
O72 In11 N30 134.6(4) . . ?
O70 In11 N30 80.4(3) . . ?
N31 In11 N30 72.6(3) . . ?
O67 In11 N30 80.7(3) . . ?
O72 In11 O69 80.4(3) . . ?
O70 In11 O69 56.3(3) . . ?
N31 In11 O69 80.3(3) . . ?
O67 In11 O69 145.8(3) . . ?
N30 In11 O69 127.8(3) . . ?
O72 In11 O68 80.2(3) . . ?
O70 In11 O68 144.8(3) . . ?
N31 In11 O68 80.4(3) . . ?
O67 In11 O68 57.3(2) . . ?
N30 In11 O68 128.0(3) . . ?
O69 In11 O68 88.5(3) . . ?
O72 In11 O71 53.5(3) . . ?
O70 In11 O71 82.8(3) . . ?
N31 In11 O71 153.6(3) . . ?
O67 In11 O71 83.0(3) . . ?
N30 In11 O71 81.0(4) . . ?
O69 In11 O71 116.5(3) . . ?
O68 In11 O71 118.2(3) . . ?
O72 In11 C256 84.0(4) . . ?
O70 In11 C256 172.8(4) . . ?
N31 In11 C256 87.7(4) . . ?
O67 In11 C256 29.3(3) . . ?
N30 In11 C256 106.2(4) . . ?
O69 In11 C256 116.6(4) . . ?
O68 In11 C256 28.1(3) . . ?
O71 In11 C256 100.9(4) . . ?
O72 In11 C227 26.5(4) . . ?
O70 In11 C227 86.0(4) . . ?
N31 In11 C227 177.4(4) . . ?
O67 In11 C227 89.0(4) . . ?
N30 In11 C227 108.2(5) . . ?
O69 In11 C227 97.3(4) . . ?
O68 In11 C227 100.8(4) . . ?
O71 In11 C227 27.2(3) . . ?
C256 In11 C227 94.5(5) . . ?
C22 C21 N9 109.7(13) . . ?
O19 O19' C85 100(5) . . ?
O19 O19' In1 131(5) . . ?
C85 O19' In1 88(2) . . ?
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
C1 N3 1.504(13) . ?
C1 C2 1.522(15) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C3 1.418(15) . ?
C2 C7 1.434(16) . ?
C3 O8 1.370(12) . ?
C3 C4 1.426(16) . ?
C4 C5 1.374(13) . ?
C4 C39 1.447(14) . ?
C5 C6 1.402(14) . ?
C5 H5 0.9300 . ?
C6 C7 1.386(18) . ?
C6 C9 1.513(15) . ?
C7 O1 1.435(15) . ?
C8 O1 1.428(14) . ?
C8 O2 1.437(15) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C14 1.484(18) . ?
C9 C10 1.515(17) . ?
C9 H9 0.9800 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.451(19) . ?
C11 N6 1.560(14) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.314(18) . ?
C12 C17 1.48(2) . ?
C13 C14 1.363(18) . ?
C13 O2 1.402(15) . ?
C14 C15 1.420(19) . ?
C15 C16 1.40(2) . ?
C15 H15 0.9300 . ?
C16 C19 1.45(2) . ?
C16 C17 1.48(2) . ?
C17 O3 1.420(18) . ?
C18 O4 1.27(2) . ?
C18 O3 1.465(19) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C24 1.53(2) . ?
C19 C20 1.56(2) . ?
C19 H19 0.9800 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C22 C27 1.358(17) . ?
C22 C23 1.47(2) . ?
C22 C21 1.481(19) . ?
C23 O4 1.382(17) . ?
C23 C24 1.395(19) . ?
C24 C25 1.402(17) . ?
C25 C26 1.376(17) . ?
C25 H25 0.9300 . ?
C26 C27 1.442(18) . ?
C26 C29 1.549(17) . ?
C27 O5 1.374(16) . ?
C28 O6 1.419(14) . ?
C28 O5 1.434(15) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 C30 1.508(15) . ?
C29 C34 1.520(17) . ?
C29 H29 0.9800 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 C32 1.526(15) . ?
C31 N12 1.560(13) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C37 1.338(16) . ?
C32 C33 1.420(17) . ?
C33 O6 1.335(14) . ?
C33 C34 1.395(16) . ?
C34 C35 1.413(16) . ?
C35 C36 1.396(16) . ?
C35 H35 0.9300 . ?
C36 C37 1.382(14) . ?
C36 C39 1.545(15) . ?
C37 O7 1.401(13) . ?
C38 O7 1.399(13) . ?
C38 O8 1.473(12) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 C40 1.541(13) . ?
C39 H39 0.9800 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C129 N1 1.283(17) . ?
C129 C139 1.435(18) . ?
C129 H129 0.9300 . ?
C139 C149 1.35(2) . ?
C139 H139 0.9300 . ?
C149 C159 1.33(2) . ?
C149 H149 0.9300 . ?
C159 C45 1.467(14) . ?
C159 H159 0.9300 . ?
C45 N1 1.291(14) . ?
C45 C46 1.473(16) . ?
C46 C47 1.352(16) . ?
C46 N2 1.360(13) . ?
C47 C48 1.409(16) . ?
C47 H47 0.9300 . ?
C48 N3 1.343(12) . ?
C48 H48 0.9300 . ?
C49 N4 1.364(15) . ?
C49 C50 1.373(16) . ?
C49 H49 0.9300 . ?
C50 C51 1.556(12) . ?
C50 H50 0.9300 . ?
C51 C52 1.398(17) . ?
C51 H51 0.9300 . ?
C52 C53 1.374(16) . ?
C52 H52 0.9300 . ?
C53 N4 1.353(17) . ?
C53 C54 1.391(17) . ?
C54 N5 1.339(13) . ?
C54 C55 1.34(2) . ?
C55 C56 1.384(19) . ?
C55 H55 0.9300 . ?
C56 N6 1.316(18) . ?
C56 H56 0.9300 . ?
C57 N7 1.331(16) . ?
C57 C58 1.45(2) . ?
C57 H57 0.9300 . ?
C58 C59 1.35(2) . ?
C58 H58 0.9300 . ?
C59 C60 1.36(3) . ?
C59 H59 0.9300 . ?
C60 C61 1.43(3) . ?
C60 H60 0.9300 . ?
C61 C62 1.35(3) . ?
C61 N7 1.38(2) . ?
N9 N8 1.354(17) . ?
N9 C64 1.41(3) . ?
N9 C21 1.511(11) . ?
N8 C62 1.44(3) . ?
N8 In2 2.132(12) . ?
C62 C63 1.47(3) . ?
C63 C64 1.52(3) . ?
C63 H63 0.9300 . ?
C64 H64 0.9300 . ?
C136 N10 1.333(13) . ?
C136 C138 1.418(14) . ?
C136 H136 0.9300 . ?
C138 C146 1.48(2) . ?
C138 H138 0.9300 . ?
C146 C148 1.306(18) . ?
C146 H146 0.9300 . ?
C148 C156 1.389(14) . ?
C148 H148 0.9300 . ?
C156 N10 1.330(14) . ?
C156 C158 1.475(15) . ?
C158 C166 1.333(15) . ?
C158 N11 1.353(11) . ?
C166 C168 1.389(15) . ?
C166 H166 0.9300 . ?
C168 N12 1.350(13) . ?
C168 H168 0.9300 . ?
C73 N13 1.32(2) . ?
C73 C74 1.50(2) . ?
C73 H73 0.9300 . ?
C74 C75 1.375(16) . ?
C74 C78 1.515(11) . ?
C75 C76 1.366(13) . ?
C75 H75 0.9300 . ?
C76 C77 1.35(2) . ?
C76 C79 1.497(15) . ?
C77 N13 1.32(2) . ?
C77 H77 0.9300 . ?
C78 O13 1.186(15) . ?
C78 O14 1.240(15) . ?
C78 In3 2.635(12) . ?
C79 O34 1.212(13) . ?
C79 O33 1.277(13) . ?
N14 C80 1.3900 . ?
N14 C84 1.3900 . ?
C80 C81 1.3900 . ?
C80 H80 0.9300 . ?
C81 C82 1.3900 . ?
C81 C85 1.50(2) . ?
C82 C83 1.3900 . ?
C82 H82 0.9300 . ?
C83 C84 1.3900 . ?
C83 C86 1.50(2) . ?
C84 H84 0.9300 . ?
C85 O19' 1.14(3) . ?
C85 O20 1.29(2) . ?
C85 O19 1.39(3) . ?
C85 In1 2.67(2) . ?
C86 O36 1.176(19) . ?
C86 O35 1.21(2) . ?
C87 N15 1.241(16) . ?
C87 C88 1.385(18) . ?
C87 H87 0.9300 . ?
C88 C89 1.334(16) . ?
C88 C92 1.55(2) . ?
C89 C90 1.399(17) . ?
C89 H89 0.9300 . ?
C90 C91 1.380(18) . ?
C90 C93 1.556(18) . ?
C91 N15 1.309(17) . ?
C91 H91 0.9300 . ?
C92 O25 1.166(15) . ?
C92 O26 1.291(15) . ?
C93 O38 1.209(14) . ?
C93 O37 1.236(16) . ?
C94 N16 1.338(17) . ?
C94 C95 1.431(18) . ?
C94 H94 0.9300 . ?
C95 C96 1.366(14) . ?
C95 C99 1.514(17) . ?
C96 C97 1.344(14) . ?
C96 H96 0.9300 . ?
C97 C98 1.386(15) . ?
C97 C100 1.541(10) . ?
C98 N16 1.323(13) . ?
C98 H98 0.9300 . ?
C99 O32 1.203(14) . ?
C99 O31 1.264(13) . ?
C99 In4 2.650(15) . ?
C100 O40 1.216(12) . ?
C100 O39 1.269(12) . ?
C101 N17 1.330(18) . ?
C101 C102 1.414(18) . ?
C101 H101 0.9300 . ?
C102 C103 1.356(15) . ?
C102 C106 1.551(17) . ?
C103 C104 1.323(16) . ?
C103 H103 0.9300 . ?
C104 C105 1.351(18) . ?
C104 C107 1.534(15) . ?
C105 N17 1.339(16) . ?
C105 H105 0.9300 . ?
C106 O17 1.196(14) . ?
C106 O18 1.239(12) . ?
C106 In1 2.576(13) . ?
C107 O9 1.255(15) . ?
C107 O10 1.259(13) . ?
C107 In3 2.625(12) . ?
C108 N18 1.245(16) . ?
C108 C109 1.402(16) . ?
C108 H108 0.9300 . ?
C109 C110 1.357(16) . ?
C109 C113 1.453(16) . ?
C110 C111 1.383(14) . ?
C110 H110 0.9300 . ?
C111 C112 1.372(17) . ?
C111 C114 1.517(18) . ?
C112 N18 1.336(17) . ?
C112 H112 0.9300 . ?
C113 O24 1.269(13) . ?
C113 O23 1.298(12) . ?
C113 In2 2.687(14) . ?
C114 O15 1.238(14) . ?
C114 O16 1.267(14) . ?
C114 In1 2.628(17) . ?
C115 N19 1.345(17) . ?
C115 C116 1.360(17) . ?
C115 H115 0.9300 . ?
C116 C117 1.397(13) . ?
C116 C120 1.465(15) . ?
C117 C118 1.389(15) . ?
C117 H117 0.9300 . ?
C118 C119 1.408(17) . ?
C118 C121 1.460(15) . ?
C119 N19 1.398(16) . ?
C119 H119 0.9300 . ?
C120 O30 1.215(12) . ?
C120 O29 1.309(13) . ?
C120 In4 2.670(13) . ?
C121 O22 1.254(16) . ?
C121 O21 1.255(14) . ?
C121 In2 2.628(11) . ?
C122 C123 1.371(19) . ?
C122 N20 1.42(2) . ?
C122 H122 0.9300 . ?
C123 C124 1.324(15) . ?
C123 C127 1.475(16) . ?
C124 C125 1.348(14) . ?
C124 H124 0.9300 . ?
C125 C126 1.362(16) . ?
C125 C128 1.503(15) . ?
C126 N20 1.331(17) . ?
C126 H126 0.9300 . ?
C127 O11 1.230(14) . ?
C127 O12 1.262(14) . ?
C127 In3 2.661(13) . ?
C128 O28 1.217(11) . ?
C128 O27 1.308(11) . ?
C128 In4 2.632(12) . ?
C41 N23 1.445(15) . ?
C41 C130 1.516(15) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C130 C135 1.405(15) . ?
C130 C131 1.419(15) . ?
C131 C132 1.353(16) . ?
C131 O48 1.372(14) . ?
C132 C133 1.409(15) . ?
C132 C167 1.527(15) . ?
C133 C134 1.418(15) . ?
C133 H133 0.9300 . ?
C134 C135 1.308(15) . ?
C134 C137 1.564(15) . ?
C135 O41 1.379(12) . ?
C69 O41 1.381(16) . ?
C69 O42 1.430(15) . ?
C69 H69A 0.9700 . ?
C69 H69B 0.9700 . ?
C137 C142 1.467(16) . ?
C137 C65 1.550(16) . ?
C137 H137 0.9800 . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?
C42 N26 1.469(12) . ?
C42 C140 1.481(15) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C140 C141 1.340(16) . ?
C140 C145 1.412(17) . ?
C141 C142 1.362(15) . ?
C141 O42 1.458(15) . ?
C142 C143 1.387(17) . ?
C143 C144 1.374(17) . ?
C143 H143 0.9300 . ?
C144 C145 1.375(16) . ?
C144 C147 1.591(18) . ?
C145 O43 1.411(14) . ?
C70 O44 1.365(14) . ?
C70 O43 1.464(15) . ?
C70 H70A 0.9700 . ?
C70 H70B 0.9700 . ?
C147 C152 1.468(16) . ?
C147 C66 1.553(15) . ?
C147 H147 0.9800 . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C43 N29 1.425(14) . ?
C43 C150 1.550(16) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C150 C151 1.313(15) . ?
C150 C155 1.421(16) . ?
C151 O44 1.387(13) . ?
C151 C152 1.413(17) . ?
C152 C153 1.395(15) . ?
C153 C154 1.418(15) . ?
C153 H153 0.9300 . ?
C154 C155 1.344(16) . ?
C154 C157 1.537(15) . ?
C155 O45 1.416(13) . ?
C71 O46 1.414(15) . ?
C71 O45 1.471(14) . ?
C71 H71A 0.9700 . ?
C71 H71B 0.9700 . ?
C157 C162 1.519(17) . ?
C157 C67 1.566(16) . ?
C157 H157 0.9800 . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?
C44 N32 1.442(12) . ?
C44 C160 1.506(14) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C160 C165 1.351(16) . ?
C160 C161 1.358(16) . ?
C161 O46 1.390(14) . ?
C161 C162 1.442(16) . ?
C162 C163 1.316(16) . ?
C163 C164 1.412(17) . ?
C163 H163 0.9300 . ?
C164 C165 1.456(16) . ?
C164 C167 1.483(18) . ?
C165 O47 1.392(14) . ?
C72 O48 1.401(15) . ?
C72 O47 1.458(15) . ?
C72 H72A 0.9700 . ?
C72 H72B 0.9700 . ?
C167 C68 1.514(17) . ?
C167 H167 0.9800 . ?
C68 H68A 0.9600 . ?
C68 H68B 0.9600 . ?
C68 H68C 0.9600 . ?
C169 N21 1.299(16) . ?
C169 C170 1.366(18) . ?
C169 H169 0.9300 . ?
C170 C171 1.296(19) . ?
C170 H170 0.9300 . ?
C171 C172 1.38(2) . ?
C171 H171 0.9300 . ?
C172 C173 1.404(15) . ?
C172 H172 0.9300 . ?
C173 N21 1.386(14) . ?
C173 C174 1.448(16) . ?
C174 N22 1.384(14) . ?
C174 C175 1.434(18) . ?
C175 C176 1.35(2) . ?
C175 H175 0.9300 . ?
C176 N23 1.338(16) . ?
C176 H176 0.9300 . ?
C177 N24 1.400(15) . ?
C177 C178 1.455(16) . ?
C177 H177 0.9300 . ?
C178 C179 1.344(19) . ?
C178 H178 0.9300 . ?
C179 C180 1.45(2) . ?
C179 H179 0.9300 . ?
C180 C181 1.421(17) . ?
C180 H180 0.9300 . ?
C181 N24 1.334(15) . ?
C181 C182 1.468(17) . ?
C182 N25 1.369(15) . ?
C182 C183 1.40(2) . ?
C183 C184 1.472(17) . ?
C183 H183 0.9300 . ?
C184 N26 1.334(18) . ?
C184 H184 0.9300 . ?
C185 N27 1.341(16) . ?
C185 C186 1.443(17) . ?
C185 H185 0.9300 . ?
C186 C187 1.318(18) . ?
C186 H186 0.9300 . ?
C187 C188 1.446(18) . ?
C187 H187 0.9300 . ?
C188 C189 1.383(15) . ?
C188 H188 0.9300 . ?
C189 N27 1.345(13) . ?
C189 C190 1.395(16) . ?
C190 N28 1.335(13) . ?
C190 C191 1.366(18) . ?
C191 C192 1.38(2) . ?
C191 H191 0.9300 . ?
C192 N29 1.358(15) . ?
C192 H192 0.9300 . ?
C193 N30 1.348(13) . ?
C193 C194 1.408(15) . ?
C193 H193 0.9300 . ?
C194 C195 1.336(18) . ?
C194 H194 0.9300 . ?
C195 C196 1.346(16) . ?
C195 H195 0.9300 . ?
C196 C197 1.310(13) . ?
C196 H196 0.9300 . ?
C197 N30 1.394(14) . ?
C197 C198 1.421(15) . ?
C198 N31 1.376(12) . ?
C198 C199 1.425(16) . ?
C199 C200 1.407(16) . ?
C199 H199 0.9300 . ?
C200 N32 1.293(15) . ?
C200 H200 0.9300 . ?
C201 N33 1.304(15) . ?
C201 C202 1.399(15) . ?
C201 H201 0.9300 . ?
C202 C203 1.369(14) . ?
C202 C206 1.513(16) . ?
C203 C204 1.328(15) . ?
C203 H203 0.9300 . ?
C204 C205 1.461(16) . ?
C204 C207 1.509(19) . ?
C205 N33 1.340(15) . ?
C205 H205 0.9300 . ?
C206 O54 1.216(14) . ?
C206 O53 1.287(12) . ?
C206 In8 2.648(13) . ?
C207 O74 1.224(18) . ?
C207 O73 1.229(18) . ?
N34 C208 1.3900 . ?
N34 C212 1.3900 . ?
C208 C209 1.3900 . ?
C208 H208 0.9300 . ?
C209 C210 1.3900 . ?
C209 C213 1.475(16) . ?
C210 C211 1.3900 . ?
C210 H210 0.9300 . ?
C211 C212 1.3900 . ?
C211 C214 1.535(11) . ?
C212 H212 0.9300 . ?
C213 O59 1.189(14) . ?
C213 O60 1.220(14) . ?
C213 In9 2.658(16) . ?
C214 O76 1.159(17) . ?
C214 O75 1.347(19) . ?
C215 N35 1.269(15) . ?
C215 C216 1.356(17) . ?
C215 H215 0.9300 . ?
C216 C217 1.373(13) . ?
C216 C220 1.472(16) . ?
C217 C218 1.367(13) . ?
C217 H217 0.9300 . ?
C218 C219 1.341(15) . ?
C218 C221 1.478(13) . ?
C219 N35 1.408(15) . ?
C219 H219 0.9300 . ?
C220 O65 1.181(14) . ?
C220 O66 1.298(15) . ?
C220 In10 2.683(14) . ?
C221 O78 1.237(11) . ?
C221 O77 1.245(12) . ?
C222 C223 1.35(2) . ?
C222 N36 1.45(2) . ?
C222 H222 0.9300 . ?
C223 C224 1.301(14) . ?
C223 C227 1.501(18) . ?
C224 C225 1.420(16) . ?
C224 H224 0.9300 . ?
C225 C226 1.321(19) . ?
C225 C228 1.448(15) . ?
C226 N36 1.406(18) . ?
C226 H226 0.9300 . ?
C227 O72 1.232(15) . ?
C227 O71 1.249(16) . ?
C227 In11 2.708(16) . ?
C228 O80 1.253(12) . ?
C228 O79 1.272(13) . ?
C229 C230 1.314(14) . ?
C229 N37 1.375(15) . ?
C229 H229 0.9300 . ?
C230 C231 1.394(14) . ?
C230 C234 1.511(15) . ?
C231 C232 1.327(14) . ?
C231 H231 0.9300 . ?
C232 C233 1.362(14) . ?
C232 C235 1.542(15) . ?
C233 N37 1.307(14) . ?
C233 H233 0.9300 . ?
C234 O57 1.246(12) . ?
C234 O58 1.257(11) . ?
C234 In9 2.625(12) . ?
C235 O49 1.207(14) . ?
C235 O50 1.285(13) . ?
C235 In8 2.610(12) . ?
C236 N38 1.277(13) . ?
C236 C237 1.387(14) . ?
C236 H236 0.9300 . ?
C237 C238 1.365(14) . ?
C237 C241 1.475(14) . ?
C238 C239 1.410(13) . ?
C238 H238 0.9300 . ?
C239 C240 1.368(15) . ?
C239 C242 1.467(17) . ?
C240 N38 1.359(15) . ?
C240 H240 0.9300 . ?
C241 O63 1.249(12) . ?
C241 O64 1.284(13) . ?
C241 In10 2.665(11) . ?
C242 O56 1.239(15) . ?
C242 O55 1.259(13) . ?
C242 In9 2.645(13) . ?
C243 N39 1.298(16) . ?
C243 C244 1.430(15) . ?
C243 H243 0.9300 . ?
C244 C245 1.371(13) . ?
C244 C248 1.435(15) . ?
C245 C246 1.393(15) . ?
C245 H245 0.9300 . ?
C246 C247 1.373(15) . ?
C246 C249 1.547(15) . ?
C247 N39 1.319(15) . ?
C247 H247 0.9300 . ?
C248 O70 1.247(12) . ?
C248 O69 1.325(12) . ?
C249 O61 1.248(15) . ?
C249 O62 1.269(14) . ?
C249 In10 2.607(12) . ?
C250 N40 1.289(15) . ?
C250 C251 1.409(18) . ?
C250 H250 0.9300 . ?
C251 C252 1.344(16) . ?
C251 C255 1.501(16) . ?
C252 C253 1.340(13) . ?
C252 H252 0.9300 . ?
C253 C254 1.368(16) . ?
C253 C256 1.503(17) . ?
C254 N40 1.292(16) . ?
C254 H254 0.9300 . ?
C255 O51 1.250(13) . ?
C255 O52 1.250(14) . ?
C255 In8 2.659(12) . ?
C256 O68 1.243(14) . ?
C256 O67 1.289(13) . ?
C256 In11 2.639(14) . ?
N1 In3 2.299(9) . ?
N2 N3 1.379(13) . ?
N2 In3 2.242(10) . ?
N4 In1 2.351(9) . ?
N5 N6 1.297(13) . ?
N5 In1 2.280(11) . ?
N7 In2 2.287(11) . ?
N10 In4 2.297(7) . ?
N11 N12 1.342(11) . ?
N11 In4 2.248(8) . ?
N21 In8 2.301(10) . ?
N22 N23 1.318(12) . ?
N22 In8 2.257(9) . ?
N24 In9 2.246(8) . ?
N25 N26 1.379(12) . ?
N25 In9 2.269(10) . ?
N27 In10 2.266(9) . ?
N28 N29 1.333(12) . ?
N28 In10 2.310(9) . ?
N30 In11 2.308(7) . ?
N31 N32 1.336(11) . ?
N31 In11 2.265(9) . ?
O1W In5 2.195(9) . ?
O2W In6 2.051(7) . ?
O2W In5 2.099(7) . ?
O3W In6 2.056(6) . ?
O3W In7 2.083(6) . ?
O4W In7 2.234(8) . ?
O9 In3 2.238(8) . ?
O10 In3 2.350(7) . ?
O11 In3 2.377(8) . ?
O12 In3 2.245(8) . ?
O13 In3 2.397(11) . ?
O14 In3 2.190(8) . ?
O15 In1 2.249(8) . ?
O16 In1 2.300(8) . ?
O17 In1 2.377(8) . ?
O18 In1 2.200(9) . ?
O19 O19' 0.62(4) . ?
O20 In1 2.139(13) . ?
O21 In2 2.261(9) . ?
O22 In2 2.293(8) . ?
O23 In2 2.339(8) . ?
O24 In2 2.255(7) . ?
O26 In2 2.137(9) . ?
O27 In4 2.295(8) . ?
O28 In4 2.298(6) . ?
O29 In4 2.397(7) . ?
O30 In4 2.208(8) . ?
O31 In4 2.482(10) . ?
O32 In4 2.191(8) . ?
O33 In6 2.145(7) . ?
O34 In5 2.152(8) . ?
O36 In5 2.151(9) . ?
O38 In5 2.153(7) . ?
O39 In6 2.133(8) . ?
O40 In5 2.200(8) . ?
O49 In8 2.235(7) . ?
O50 In8 2.381(7) . ?
O51 In8 2.411(7) . ?
O52 In8 2.232(8) . ?
O53 In8 2.440(9) . ?
O54 In8 2.190(8) . ?
O55 In9 2.221(8) . ?
O56 In9 2.408(7) . ?
O57 In9 2.329(7) . ?
O58 In9 2.259(8) . ?
O59 In9 2.511(11) . ?
O60 In9 2.199(8) . ?
O61 In10 2.228(8) . ?
O62 In10 2.368(8) . ?
O63 In10 2.352(7) . ?
O64 In10 2.248(7) . ?
O65 In10 2.509(10) . ?
O66 In10 2.167(7) . ?
O67 In11 2.291(8) . ?
O68 In11 2.330(7) . ?
O69 In11 2.327(7) . ?
O70 In11 2.258(8) . ?
O71 In11 2.570(10) . ?
O72 In11 2.177(8) . ?
O74 In7 2.124(7) . ?
O76 In7 2.131(8) . ?
O77 In6 2.166(8) . ?
O78 In7 2.213(8) . ?
O79 In6 2.172(8) . ?
O80 In7 2.196(7) . ?
In1 O19' 2.46(3) . ?
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
N3 C1 C2 C3 88.0(12) . . . . ?
N3 C1 C2 C7 -92.1(13) . . . . ?
C7 C2 C3 O8 177.4(9) . . . . ?
C1 C2 C3 O8 -2.8(15) . . . . ?
C7 C2 C3 C4 -4.6(16) . . . . ?
C1 C2 C3 C4 175.3(10) . . . . ?
O8 C3 C4 C5 -177.9(9) . . . . ?
C2 C3 C4 C5 4.2(16) . . . . ?
O8 C3 C4 C39 3.6(16) . . . . ?
C2 C3 C4 C39 -174.3(10) . . . . ?
C3 C4 C5 C6 -0.7(17) . . . . ?
C39 C4 C5 C6 177.7(11) . . . . ?
C4 C5 C6 C7 -2.1(19) . . . . ?
C4 C5 C6 C9 -176.1(12) . . . . ?
C5 C6 C7 C2 1.6(19) . . . . ?
C9 C6 C7 C2 176.2(11) . . . . ?
C5 C6 C7 O1 177.0(10) . . . . ?
C9 C6 C7 O1 -8.4(19) . . . . ?
C3 C2 C7 C6 1.5(18) . . . . ?
C1 C2 C7 C6 -178.3(12) . . . . ?
C3 C2 C7 O1 -174.3(9) . . . . ?
C1 C2 C7 O1 5.8(16) . . . . ?
C7 C6 C9 C14 -86.2(16) . . . . ?
C5 C6 C9 C14 87.6(16) . . . . ?
C7 C6 C9 C10 148.4(13) . . . . ?
C5 C6 C9 C10 -38(2) . . . . ?
N6 C11 C12 C13 89.2(17) . . . . ?
N6 C11 C12 C17 -93.2(15) . . . . ?
C11 C12 C13 C14 178.8(13) . . . . ?
C17 C12 C13 C14 1(2) . . . . ?
C11 C12 C13 O2 -5(2) . . . . ?
C17 C12 C13 O2 177.1(11) . . . . ?
C12 C13 C14 C15 -1(2) . . . . ?
O2 C13 C14 C15 -176.8(11) . . . . ?
C12 C13 C14 C9 176.9(12) . . . . ?
O2 C13 C14 C9 1.1(17) . . . . ?
C6 C9 C14 C13 91.0(14) . . . . ?
C10 C9 C14 C13 -147.1(12) . . . . ?
C6 C9 C14 C15 -91.2(15) . . . . ?
C10 C9 C14 C15 30.7(17) . . . . ?
C13 C14 C15 C16 0(2) . . . . ?
C9 C14 C15 C16 -178.0(11) . . . . ?
C14 C15 C16 C19 -178.9(15) . . . . ?
C14 C15 C16 C17 0.8(19) . . . . ?
C15 C16 C17 O3 177.7(11) . . . . ?
C19 C16 C17 O3 -2.6(19) . . . . ?
C15 C16 C17 C12 -1(2) . . . . ?
C19 C16 C17 C12 179.1(14) . . . . ?
C13 C12 C17 O3 -178.6(11) . . . . ?
C11 C12 C17 O3 3.5(19) . . . . ?
C13 C12 C17 C16 0(2) . . . . ?
C11 C12 C17 C16 -178.2(11) . . . . ?
C15 C16 C19 C24 90.8(19) . . . . ?
C17 C16 C19 C24 -88.8(16) . . . . ?
C15 C16 C19 C20 -33(2) . . . . ?
C17 C16 C19 C20 147.3(13) . . . . ?
C27 C22 C23 O4 177.2(11) . . . . ?
C21 C22 C23 O4 -4.1(19) . . . . ?
C27 C22 C23 C24 4(2) . . . . ?
C21 C22 C23 C24 -177.7(13) . . . . ?
O4 C23 C24 C25 -177.6(12) . . . . ?
C22 C23 C24 C25 -4(2) . . . . ?
O4 C23 C24 C19 10(2) . . . . ?
C22 C23 C24 C19 -176.4(14) . . . . ?
C16 C19 C24 C23 85.8(17) . . . . ?
C20 C19 C24 C23 -150.1(15) . . . . ?
C16 C19 C24 C25 -85.9(18) . . . . ?
C20 C19 C24 C25 38(2) . . . . ?
C23 C24 C25 C26 3(2) . . . . ?
C19 C24 C25 C26 174.7(15) . . . . ?
C24 C25 C26 C27 -1(2) . . . . ?
C24 C25 C26 C29 -177.0(12) . . . . ?
C23 C22 C27 O5 -178.1(12) . . . . ?
C21 C22 C27 O5 3(2) . . . . ?
C23 C22 C27 C26 -1.5(19) . . . . ?
C21 C22 C27 C26 179.8(13) . . . . ?
C25 C26 C27 C22 0(2) . . . . ?
C29 C26 C27 C22 176.2(12) . . . . ?
C25 C26 C27 O5 177.1(13) . . . . ?
C29 C26 C27 O5 -7.2(19) . . . . ?
C25 C26 C29 C30 -37.5(19) . . . . ?
C27 C26 C29 C30 146.7(14) . . . . ?
C25 C26 C29 C34 96.2(15) . . . . ?
C27 C26 C29 C34 -79.6(16) . . . . ?
N12 C31 C32 C37 -93.2(14) . . . . ?
N12 C31 C32 C33 88.5(13) . . . . ?
C37 C32 C33 O6 175.2(11) . . . . ?
C31 C32 C33 O6 -6.3(16) . . . . ?
C37 C32 C33 C34 -0.5(17) . . . . ?
C31 C32 C33 C34 178.0(10) . . . . ?
O6 C33 C34 C35 -176.6(11) . . . . ?
C32 C33 C34 C35 -0.8(17) . . . . ?
O6 C33 C34 C29 6.3(17) . . . . ?
C32 C33 C34 C29 -178.0(11) . . . . ?
C30 C29 C34 C33 -144.8(12) . . . . ?
C26 C29 C34 C33 81.0(14) . . . . ?
C30 C29 C34 C35 38.0(16) . . . . ?
C26 C29 C34 C35 -96.2(13) . . . . ?
C33 C34 C35 C36 -0.4(17) . . . . ?
C29 C34 C35 C36 176.9(10) . . . . ?
C34 C35 C36 C37 2.8(16) . . . . ?
C34 C35 C36 C39 -177.5(10) . . . . ?
C33 C32 C37 C36 3.2(18) . . . . ?
C31 C32 C37 C36 -175.1(10) . . . . ?
C33 C32 C37 O7 -176.5(9) . . . . ?
C31 C32 C37 O7 5.2(16) . . . . ?
C35 C36 C37 C32 -4.3(16) . . . . ?
C39 C36 C37 C32 176.0(10) . . . . ?
C35 C36 C37 O7 175.4(9) . . . . ?
C39 C36 C37 O7 -4.3(14) . . . . ?
C5 C4 C39 C40 32.7(15) . . . . ?
C3 C4 C39 C40 -149.0(10) . . . . ?
C5 C4 C39 C36 -91.5(13) . . . . ?
C3 C4 C39 C36 86.9(13) . . . . ?
C37 C36 C39 C4 -87.8(12) . . . . ?
C35 C36 C39 C4 92.5(12) . . . . ?
C37 C36 C39 C40 149.6(9) . . . . ?
C35 C36 C39 C40 -30.1(14) . . . . ?
N1 C129 C139 C149 2(2) . . . . ?
C129 C139 C149 C159 4(3) . . . . ?
C139 C149 C159 C45 -7(2) . . . . ?
C149 C159 C45 N1 4.9(19) . . . . ?
C149 C159 C45 C46 -174.6(12) . . . . ?
N1 C45 C46 C47 178.8(11) . . . . ?
C159 C45 C46 C47 -1.8(19) . . . . ?
N1 C45 C46 N2 0.2(15) . . . . ?
C159 C45 C46 N2 179.7(9) . . . . ?
N2 C46 C47 C48 -3.4(14) . . . . ?
C45 C46 C47 C48 178.1(11) . . . . ?
C46 C47 C48 N3 4.8(13) . . . . ?
N4 C49 C50 C51 1(2) . . . . ?
C49 C50 C51 C52 -2(2) . . . . ?
C50 C51 C52 C53 3(2) . . . . ?
C51 C52 C53 N4 -3(3) . . . . ?
C51 C52 C53 C54 178.7(16) . . . . ?
N4 C53 C54 N5 4(2) . . . . ?
C52 C53 C54 N5 -178.3(15) . . . . ?
N4 C53 C54 C55 177.0(19) . . . . ?
C52 C53 C54 C55 -5(3) . . . . ?
N5 C54 C55 C56 -1(2) . . . . ?
C53 C54 C55 C56 -175.4(18) . . . . ?
C54 C55 C56 N6 -3(2) . . . . ?
N7 C57 C58 C59 12(3) . . . . ?
C57 C58 C59 C60 -23(3) . . . . ?
C58 C59 C60 C61 21(3) . . . . ?
C59 C60 C61 C62 -177(2) . . . . ?
C59 C60 C61 N7 -8(3) . . . . ?
C64 N9 N8 C62 -11(2) . . . . ?
C21 N9 N8 C62 178.4(15) . . . . ?
C64 N9 N8 In2 168.8(14) . . . . ?
C21 N9 N8 In2 -1(3) . . . . ?
N7 C61 C62 N8 8(4) . . . . ?
C60 C61 C62 N8 177.7(18) . . . . ?
N7 C61 C62 C63 167(2) . . . . ?
C60 C61 C62 C63 -23(4) . . . . ?
N9 N8 C62 C61 173(2) . . . . ?
In2 N8 C62 C61 -7(3) . . . . ?
N9 N8 C62 C63 11(2) . . . . ?
In2 N8 C62 C63 -168.7(15) . . . . ?
C61 C62 C63 C64 -170(2) . . . . ?
N8 C62 C63 C64 -8(3) . . . . ?
N8 N9 C64 C63 6(2) . . . . ?
C21 N9 C64 C63 175.5(17) . . . . ?
C62 C63 C64 N9 2(3) . . . . ?
N10 C136 C138 C146 -15(2) . . . . ?
C136 C138 C146 C148 17(2) . . . . ?
C138 C146 C148 C156 -12(3) . . . . ?
C146 C148 C156 N10 4(3) . . . . ?
C146 C148 C156 C158 -175.4(16) . . . . ?
N10 C156 C158 C166 178.4(15) . . . . ?
C148 C156 C158 C166 -2(2) . . . . ?
N10 C156 C158 N11 -2.3(18) . . . . ?
C148 C156 C158 N11 177.3(13) . . . . ?
N11 C158 C166 C168 -2.2(18) . . . . ?
C156 C158 C166 C168 177.2(14) . . . . ?
C158 C166 C168 N12 4.8(17) . . . . ?
N13 C73 C74 C75 15(3) . . . . ?
N13 C73 C74 C78 -172.0(18) . . . . ?
C73 C74 C75 C76 -10(2) . . . . ?
C78 C74 C75 C76 177.9(13) . . . . ?
C74 C75 C76 C77 5(2) . . . . ?
C74 C75 C76 C79 -176.2(12) . . . . ?
C75 C76 C77 N13 -4(3) . . . . ?
C79 C76 C77 N13 176.6(18) . . . . ?
C75 C74 C78 O13 179.2(14) . . . . ?
C73 C74 C78 O13 7(2) . . . . ?
C75 C74 C78 O14 -1(2) . . . . ?
C73 C74 C78 O14 -172.8(15) . . . . ?
C77 C76 C79 O34 166.8(14) . . . . ?
C75 C76 C79 O34 -12.4(19) . . . . ?
C77 C76 C79 O33 -10(2) . . . . ?
C75 C76 C79 O33 170.5(12) . . . . ?
C84 N14 C80 C81 0.0 . . . . ?
N14 C80 C81 C82 0.0 . . . . ?
N14 C80 C81 C85 179.6(14) . . . . ?
C80 C81 C82 C83 0.0 . . . . ?
C85 C81 C82 C83 -179.6(14) . . . . ?
C81 C82 C83 C84 0.0 . . . . ?
C81 C82 C83 C86 -173.0(16) . . . . ?
C82 C83 C84 N14 0.0 . . . . ?
C86 C83 C84 N14 173.0(16) . . . . ?
C80 N14 C84 C83 0.0 . . . . ?
C80 C81 C85 O19' -5(3) . . . . ?
C82 C81 C85 O19' 175(2) . . . . ?
C80 C81 C85 O20 171.2(13) . . . . ?
C82 C81 C85 O20 -9(2) . . . . ?
C80 C81 C85 O19 12(2) . . . . ?
C82 C81 C85 O19 -167.9(15) . . . . ?
C80 C81 C85 In1 146(4) . . . . ?
C82 C81 C85 In1 -34(5) . . . . ?
C82 C83 C86 O36 -28(3) . . . . ?
C84 C83 C86 O36 158.6(16) . . . . ?
C82 C83 C86 O35 171(2) . . . . ?
C84 C83 C86 O35 -2(3) . . . . ?
N15 C87 C88 C89 -3(2) . . . . ?
N15 C87 C88 C92 174.9(13) . . . . ?
C87 C88 C89 C90 -0.5(19) . . . . ?
C92 C88 C89 C90 -178.1(11) . . . . ?
C88 C89 C90 C91 -1(2) . . . . ?
C88 C89 C90 C93 177.3(13) . . . . ?
C89 C90 C91 N15 5(2) . . . . ?
C93 C90 C91 N15 -173.2(14) . . . . ?
C89 C88 C92 O25 172.7(13) . . . . ?
C87 C88 C92 O25 -4.9(19) . . . . ?
C89 C88 C92 O26 -5.5(17) . . . . ?
C87 C88 C92 O26 176.9(11) . . . . ?
C91 C90 C93 O38 -171.2(14) . . . . ?
C89 C90 C93 O38 11(2) . . . . ?
C91 C90 C93 O37 -1(2) . . . . ?
C89 C90 C93 O37 -178.6(14) . . . . ?
N16 C94 C95 C96 1(2) . . . . ?
N16 C94 C95 C99 174.8(14) . . . . ?
C94 C95 C96 C97 -2.9(18) . . . . ?
C99 C95 C96 C97 -176.7(11) . . . . ?
C95 C96 C97 C98 4.6(18) . . . . ?
C95 C96 C97 C100 -179.4(11) . . . . ?
C96 C97 C98 N16 -5(2) . . . . ?
C100 C97 C98 N16 179.1(12) . . . . ?
C96 C95 C99 O32 -0.2(19) . . . . ?
C94 C95 C99 O32 -173.6(13) . . . . ?
C96 C95 C99 O31 178.8(12) . . . . ?
C94 C95 C99 O31 5.4(19) . . . . ?
C96 C97 C100 O40 6.6(17) . . . . ?
C98 C97 C100 O40 -177.5(11) . . . . ?
C96 C97 C100 O39 -171.3(11) . . . . ?
C98 C97 C100 O39 4.5(17) . . . . ?
N17 C101 C102 C103 -4(3) . . . . ?
N17 C101 C102 C106 176.1(17) . . . . ?
C101 C102 C103 C104 6(2) . . . . ?
C106 C102 C103 C104 -174.7(13) . . . . ?
C102 C103 C104 C105 -3(2) . . . . ?
C102 C103 C104 C107 173.4(11) . . . . ?
C103 C104 C105 N17 -1(2) . . . . ?
C107 C104 C105 N17 -177.8(14) . . . . ?
C103 C102 C106 O17 -3(2) . . . . ?
C101 C102 C106 O17 176.7(14) . . . . ?
C103 C102 C106 O18 179.0(13) . . . . ?
C101 C102 C106 O18 -1(2) . . . . ?
C103 C104 C107 O9 -170.9(13) . . . . ?
C105 C104 C107 O9 6.1(18) . . . . ?
C103 C104 C107 O10 6.3(18) . . . . ?
C105 C104 C107 O10 -176.6(12) . . . . ?
N18 C108 C109 C110 -6(3) . . . . ?
N18 C108 C109 C113 176.4(17) . . . . ?
C108 C109 C110 C111 5(2) . . . . ?
C113 C109 C110 C111 -176.9(12) . . . . ?
C109 C110 C111 C112 -2(2) . . . . ?
C109 C110 C111 C114 176.4(12) . . . . ?
C110 C111 C112 N18 -2(2) . . . . ?
C114 C111 C112 N18 -179.8(15) . . . . ?
C110 C109 C113 O24 169.8(14) . . . . ?
C108 C109 C113 O24 -12(2) . . . . ?
C110 C109 C113 O23 -12(2) . . . . ?
C108 C109 C113 O23 165.8(15) . . . . ?
C112 C111 C114 O15 8(2) . . . . ?
C110 C111 C114 O15 -170.0(12) . . . . ?
C112 C111 C114 O16 -171.7(13) . . . . ?
C110 C111 C114 O16 10.1(18) . . . . ?
N19 C115 C116 C117 -2(2) . . . . ?
N19 C115 C116 C120 174.6(14) . . . . ?
C115 C116 C117 C118 2.2(19) . . . . ?
C120 C116 C117 C118 -174.1(12) . . . . ?
C116 C117 C118 C119 3(2) . . . . ?
C116 C117 C118 C121 176.8(11) . . . . ?
C117 C118 C119 N19 -8(2) . . . . ?
C121 C118 C119 N19 178.0(14) . . . . ?
C115 C116 C120 O30 -15.8(19) . . . . ?
C117 C116 C120 O30 160.6(11) . . . . ?
C115 C116 C120 O29 169.8(11) . . . . ?
C117 C116 C120 O29 -13.8(18) . . . . ?
C117 C118 C121 O22 13(2) . . . . ?
C119 C118 C121 O22 -173.0(14) . . . . ?
C117 C118 C121 O21 -167.6(13) . . . . ?
C119 C118 C121 O21 6(2) . . . . ?
N20 C122 C123 C124 24(3) . . . . ?
N20 C122 C123 C127 -173.0(17) . . . . ?
C122 C123 C124 C125 -14(2) . . . . ?
C127 C123 C124 C125 -176.1(13) . . . . ?
C123 C124 C125 C126 4(2) . . . . ?
C123 C124 C125 C128 -179.3(13) . . . . ?
C124 C125 C126 N20 -3(3) . . . . ?
C128 C125 C126 N20 180.0(18) . . . . ?
C124 C123 C127 O11 -16(2) . . . . ?
C122 C123 C127 O11 -177.4(16) . . . . ?
C124 C123 C127 O12 162.9(14) . . . . ?
C122 C123 C127 O12 1(2) . . . . ?
C124 C125 C128 O28 6(2) . . . . ?
C126 C125 C128 O28 -177.1(14) . . . . ?
C124 C125 C128 O27 -167.5(12) . . . . ?
C126 C125 C128 O27 9(2) . . . . ?
N23 C41 C130 C135 -94.7(14) . . . . ?
N23 C41 C130 C131 90.6(14) . . . . ?
C135 C130 C131 C132 0.9(17) . . . . ?
C41 C130 C131 C132 175.9(11) . . . . ?
C135 C130 C131 O48 -179.7(11) . . . . ?
C41 C130 C131 O48 -4.7(16) . . . . ?
O48 C131 C132 C133 -177.9(11) . . . . ?
C130 C131 C132 C133 1.5(18) . . . . ?
O48 C131 C132 C167 1.6(18) . . . . ?
C130 C131 C132 C167 -179.0(11) . . . . ?
C131 C132 C133 C134 -2.9(19) . . . . ?
C167 C132 C133 C134 177.7(12) . . . . ?
C132 C133 C134 C135 1.6(19) . . . . ?
C132 C133 C134 C137 -176.8(11) . . . . ?
C133 C134 C135 O41 177.2(10) . . . . ?
C137 C134 C135 O41 -4.4(18) . . . . ?
C133 C134 C135 C130 1(2) . . . . ?
C137 C134 C135 C130 179.4(11) . . . . ?
C131 C130 C135 C134 -2.2(19) . . . . ?
C41 C130 C135 C134 -177.0(12) . . . . ?
C131 C130 C135 O41 -178.4(10) . . . . ?
C41 C130 C135 O41 6.7(17) . . . . ?
C135 C134 C137 C142 -85.4(15) . . . . ?
C133 C134 C137 C142 93.0(13) . . . . ?
C135 C134 C137 C65 148.7(13) . . . . ?
C133 C134 C137 C65 -32.9(17) . . . . ?
N26 C42 C140 C141 98.1(15) . . . . ?
N26 C42 C140 C145 -84.8(14) . . . . ?
C145 C140 C141 C142 1.7(18) . . . . ?
C42 C140 C141 C142 178.9(10) . . . . ?
C145 C140 C141 O42 176.6(9) . . . . ?
C42 C140 C141 O42 -6.1(17) . . . . ?
C140 C141 C142 C143 -4.2(17) . . . . ?
O42 C141 C142 C143 -179.2(10) . . . . ?
C140 C141 C142 C137 179.5(11) . . . . ?
O42 C141 C142 C137 4.5(16) . . . . ?
C65 C137 C142 C141 -151.0(11) . . . . ?
C134 C137 C142 C141 83.5(13) . . . . ?
C65 C137 C142 C143 33.0(15) . . . . ?
C134 C137 C142 C143 -92.5(13) . . . . ?
C141 C142 C143 C144 5.4(16) . . . . ?
C137 C142 C143 C144 -178.3(10) . . . . ?
C142 C143 C144 C145 -3.8(16) . . . . ?
C142 C143 C144 C147 -178.7(10) . . . . ?
C143 C144 C145 O43 179.7(9) . . . . ?
C147 C144 C145 O43 -5.3(14) . . . . ?
C143 C144 C145 C140 0.8(15) . . . . ?
C147 C144 C145 C140 175.7(10) . . . . ?
C141 C140 C145 C144 0.2(16) . . . . ?
C42 C140 C145 C144 -177.2(9) . . . . ?
C141 C140 C145 O43 -178.7(10) . . . . ?
C42 C140 C145 O43 3.8(15) . . . . ?
C143 C144 C147 C152 92.9(13) . . . . ?
C145 C144 C147 C152 -81.6(13) . . . . ?
C143 C144 C147 C66 -35.3(14) . . . . ?
C145 C144 C147 C66 150.1(10) . . . . ?
N29 C43 C150 C151 92.0(14) . . . . ?
N29 C43 C150 C155 -87.9(13) . . . . ?
C155 C150 C151 O44 178.6(10) . . . . ?
C43 C150 C151 O44 -1.3(17) . . . . ?
C155 C150 C151 C152 0.7(19) . . . . ?
C43 C150 C151 C152 -179.2(10) . . . . ?
C150 C151 C152 C153 -1.3(18) . . . . ?
O44 C151 C152 C153 -179.3(10) . . . . ?
C150 C151 C152 C147 -178.7(12) . . . . ?
O44 C151 C152 C147 3.3(18) . . . . ?
C66 C147 C152 C153 31.7(17) . . . . ?
C144 C147 C152 C153 -93.1(12) . . . . ?
C66 C147 C152 C151 -150.9(12) . . . . ?
C144 C147 C152 C151 84.3(15) . . . . ?
C151 C152 C153 C154 3.2(17) . . . . ?
C147 C152 C153 C154 -179.2(11) . . . . ?
C152 C153 C154 C155 -4.6(17) . . . . ?
C152 C153 C154 C157 178.8(11) . . . . ?
C153 C154 C155 O45 178.4(9) . . . . ?
C157 C154 C155 O45 -5.1(19) . . . . ?
C153 C154 C155 C150 4.1(19) . . . . ?
C157 C154 C155 C150 -179.3(11) . . . . ?
C151 C150 C155 C154 -2.2(19) . . . . ?
C43 C150 C155 C154 177.7(11) . . . . ?
C151 C150 C155 O45 -176.7(10) . . . . ?
C43 C150 C155 O45 3.2(16) . . . . ?
C155 C154 C157 C162 -86.4(15) . . . . ?
C153 C154 C157 C162 90.1(13) . . . . ?
C155 C154 C157 C67 151.3(13) . . . . ?
C153 C154 C157 C67 -32.2(18) . . . . ?
N32 C44 C160 C165 -85.5(13) . . . . ?
N32 C44 C160 C161 93.4(13) . . . . ?
C165 C160 C161 O46 179.2(9) . . . . ?
C44 C160 C161 O46 0.2(14) . . . . ?
C165 C160 C161 C162 0.4(16) . . . . ?
C44 C160 C161 C162 -178.5(8) . . . . ?
C160 C161 C162 C163 0.2(15) . . . . ?
O46 C161 C162 C163 -178.6(9) . . . . ?
C160 C161 C162 C157 -179.3(10) . . . . ?
O46 C161 C162 C157 1.9(14) . . . . ?
C154 C157 C162 C163 -91.8(14) . . . . ?
C67 C157 C162 C163 32.4(16) . . . . ?
C154 C157 C162 C161 87.6(13) . . . . ?
C67 C157 C162 C161 -148.2(10) . . . . ?
C161 C162 C163 C164 2.4(17) . . . . ?
C157 C162 C163 C164 -178.1(10) . . . . ?
C162 C163 C164 C165 -4.9(16) . . . . ?
C162 C163 C164 C167 -177.8(11) . . . . ?
C161 C160 C165 O47 -175.1(9) . . . . ?
C44 C160 C165 O47 3.7(15) . . . . ?
C161 C160 C165 C164 -3.4(16) . . . . ?
C44 C160 C165 C164 175.4(9) . . . . ?
C163 C164 C165 C160 5.3(14) . . . . ?
C167 C164 C165 C160 179.0(10) . . . . ?
C163 C164 C165 O47 177.3(9) . . . . ?
C167 C164 C165 O47 -8.9(14) . . . . ?
C163 C164 C167 C68 -38.2(17) . . . . ?
C165 C164 C167 C68 149.3(10) . . . . ?
C163 C164 C167 C132 87.9(14) . . . . ?
C165 C164 C167 C132 -84.6(13) . . . . ?
C131 C132 C167 C164 90.8(15) . . . . ?
C133 C132 C167 C164 -89.7(14) . . . . ?
C131 C132 C167 C68 -144.1(13) . . . . ?
C133 C132 C167 C68 35.4(19) . . . . ?
N21 C169 C170 C171 0(3) . . . . ?
C169 C170 C171 C172 0(3) . . . . ?
C170 C171 C172 C173 -1(3) . . . . ?
C171 C172 C173 N21 0(2) . . . . ?
C171 C172 C173 C174 180.0(13) . . . . ?
N21 C173 C174 N22 5.0(15) . . . . ?
C172 C173 C174 N22 -174.6(11) . . . . ?
N21 C173 C174 C175 170.3(14) . . . . ?
C172 C173 C174 C175 -9(2) . . . . ?
N22 C174 C175 C176 -6.9(19) . . . . ?
C173 C174 C175 C176 -172.9(14) . . . . ?
C174 C175 C176 N23 4(2) . . . . ?
N24 C177 C178 C179 1(2) . . . . ?
C177 C178 C179 C180 3(3) . . . . ?
C178 C179 C180 C181 -9(2) . . . . ?
C179 C180 C181 N24 12(2) . . . . ?
C179 C180 C181 C182 -173.7(14) . . . . ?
N24 C181 C182 N25 -3(2) . . . . ?
C180 C181 C182 N25 -178.7(14) . . . . ?
N24 C181 C182 C183 168.1(19) . . . . ?
C180 C181 C182 C183 -7(3) . . . . ?
N25 C182 C183 C184 -5(2) . . . . ?
C181 C182 C183 C184 -177.3(17) . . . . ?
C182 C183 C184 N26 0(2) . . . . ?
N27 C185 C186 C187 1(2) . . . . ?
C185 C186 C187 C188 2(2) . . . . ?
C186 C187 C188 C189 -4(2) . . . . ?
C187 C188 C189 N27 2.9(17) . . . . ?
C187 C188 C189 C190 -177.9(12) . . . . ?
N27 C189 C190 N28 -2.3(16) . . . . ?
C188 C189 C190 N28 178.4(10) . . . . ?
N27 C189 C190 C191 179.8(13) . . . . ?
C188 C189 C190 C191 1(2) . . . . ?
N28 C190 C191 C192 -2.6(17) . . . . ?
C189 C190 C191 C192 175.4(13) . . . . ?
C190 C191 C192 N29 4.3(19) . . . . ?
N30 C193 C194 C195 -6(2) . . . . ?
C193 C194 C195 C196 6(2) . . . . ?
C194 C195 C196 C197 -3(2) . . . . ?
C195 C196 C197 N30 -1(2) . . . . ?
C195 C196 C197 C198 -178.7(13) . . . . ?
C196 C197 C198 N31 175.0(12) . . . . ?
N30 C197 C198 N31 -3.1(17) . . . . ?
C196 C197 C198 C199 -8(2) . . . . ?
N30 C197 C198 C199 173.9(13) . . . . ?
N31 C198 C199 C200 -1.9(15) . . . . ?
C197 C198 C199 C200 -179.3(13) . . . . ?
C198 C199 C200 N32 2.3(18) . . . . ?
N33 C201 C202 C203 -5(2) . . . . ?
N33 C201 C202 C206 179.0(12) . . . . ?
C201 C202 C203 C204 3.4(17) . . . . ?
C206 C202 C203 C204 179.2(10) . . . . ?
C202 C203 C204 C205 -3.1(19) . . . . ?
C202 C203 C204 C207 -176.9(14) . . . . ?
C203 C204 C205 N33 5(2) . . . . ?
C207 C204 C205 N33 178.8(16) . . . . ?
C203 C202 C206 O54 1.5(16) . . . . ?
C201 C202 C206 O54 177.1(11) . . . . ?
C203 C202 C206 O53 179.6(10) . . . . ?
C201 C202 C206 O53 -4.9(16) . . . . ?
C203 C204 C207 O74 -18(3) . . . . ?
C205 C204 C207 O74 167.8(14) . . . . ?
C203 C204 C207 O73 166.9(16) . . . . ?
C205 C204 C207 O73 -7(3) . . . . ?
C212 N34 C208 C209 0.0 . . . . ?
N34 C208 C209 C210 0.0 . . . . ?
N34 C208 C209 C213 173.3(12) . . . . ?
C208 C209 C210 C211 0.0 . . . . ?
C213 C209 C210 C211 -172.6(13) . . . . ?
C209 C210 C211 C212 0.0 . . . . ?
C209 C210 C211 C214 -176.0(13) . . . . ?
C210 C211 C212 N34 0.0 . . . . ?
C214 C211 C212 N34 176.0(13) . . . . ?
C208 N34 C212 C211 0.0 . . . . ?
C210 C209 C213 O59 -178.6(13) . . . . ?
C208 C209 C213 O59 9(2) . . . . ?
C210 C209 C213 O60 -4.0(19) . . . . ?
C208 C209 C213 O60 -176.9(10) . . . . ?
C210 C209 C213 In9 5(5) . . . . ?
C208 C209 C213 In9 -168(4) . . . . ?
C212 C211 C214 O76 -168.5(14) . . . . ?
C210 C211 C214 O76 7(2) . . . . ?
C212 C211 C214 O75 12(2) . . . . ?
C210 C211 C214 O75 -171.9(14) . . . . ?
N35 C215 C216 C217 -3(2) . . . . ?
N35 C215 C216 C220 176.6(15) . . . . ?
C215 C216 C217 C218 0.4(17) . . . . ?
C220 C216 C217 C218 -178.9(11) . . . . ?
C216 C217 C218 C219 3.4(18) . . . . ?
C216 C217 C218 C221 177.9(10) . . . . ?
C217 C218 C219 N35 -5(2) . . . . ?
C221 C218 C219 N35 179.8(12) . . . . ?
C215 C216 C220 O65 6(2) . . . . ?
C217 C216 C220 O65 -174.4(12) . . . . ?
C215 C216 C220 O66 -175.1(12) . . . . ?
C217 C216 C220 O66 4.3(17) . . . . ?
C215 C216 C220 In10 -161(3) . . . . ?
C217 C216 C220 In10 18(5) . . . . ?
C219 C218 C221 O78 -176.8(11) . . . . ?
C217 C218 C221 O78 8.5(16) . . . . ?
C219 C218 C221 O77 2.0(17) . . . . ?
C217 C218 C221 O77 -172.7(11) . . . . ?
N36 C222 C223 C224 2(3) . . . . ?
N36 C222 C223 C227 -168.5(19) . . . . ?
C222 C223 C224 C225 2(3) . . . . ?
C227 C223 C224 C225 170.6(15) . . . . ?
C223 C224 C225 C226 -1(3) . . . . ?
C223 C224 C225 C228 174.4(14) . . . . ?
C224 C225 C226 N36 -3(3) . . . . ?
C228 C225 C226 N36 -178.8(19) . . . . ?
C224 C223 C227 O72 10(2) . . . . ?
C222 C223 C227 O72 179.8(16) . . . . ?
C224 C223 C227 O71 179.2(16) . . . . ?
C222 C223 C227 O71 -11(3) . . . . ?
C224 C223 C227 In11 16(5) . . . . ?
C222 C223 C227 In11 -174(3) . . . . ?
C226 C225 C228 O80 176.3(16) . . . . ?
C224 C225 C228 O80 1(2) . . . . ?
C226 C225 C228 O79 -13(2) . . . . ?
C224 C225 C228 O79 171.5(13) . . . . ?
N37 C229 C230 C231 4(2) . . . . ?
N37 C229 C230 C234 177.1(13) . . . . ?
C229 C230 C231 C232 -0.7(19) . . . . ?
C234 C230 C231 C232 -173.7(11) . . . . ?
C230 C231 C232 C233 -0.3(18) . . . . ?
C230 C231 C232 C235 179.1(11) . . . . ?
C231 C232 C233 N37 -2(2) . . . . ?
C235 C232 C233 N37 178.4(12) . . . . ?
C229 C230 C234 O57 172.6(12) . . . . ?
C231 C230 C234 O57 -14.6(18) . . . . ?
C229 C230 C234 O58 -5.0(19) . . . . ?
C231 C230 C234 O58 167.8(11) . . . . ?
C231 C232 C235 O49 -167.6(12) . . . . ?
C233 C232 C235 O49 11.8(18) . . . . ?
C231 C232 C235 O50 9.9(17) . . . . ?
C233 C232 C235 O50 -170.7(11) . . . . ?
N38 C236 C237 C238 4(2) . . . . ?
N38 C236 C237 C241 179.7(13) . . . . ?
C236 C237 C238 C239 -2.8(17) . . . . ?
C241 C237 C238 C239 -178.7(10) . . . . ?
C237 C238 C239 C240 0.5(17) . . . . ?
C237 C238 C239 C242 177.2(12) . . . . ?
C238 C239 C240 N38 1(2) . . . . ?
C242 C239 C240 N38 -175.4(14) . . . . ?
C238 C237 C241 O63 -5.1(16) . . . . ?
C236 C237 C241 O63 179.2(11) . . . . ?
C238 C237 C241 O64 176.5(10) . . . . ?
C236 C237 C241 O64 0.8(17) . . . . ?
C240 C239 C242 O56 -177.7(13) . . . . ?
C238 C239 C242 O56 6(2) . . . . ?
C240 C239 C242 O55 5(2) . . . . ?
C238 C239 C242 O55 -171.7(11) . . . . ?
C240 C239 C242 In9 48(6) . . . . ?
C238 C239 C242 In9 -128(5) . . . . ?
N39 C243 C244 C245 0(2) . . . . ?
N39 C243 C244 C248 -179.4(14) . . . . ?
C243 C244 C245 C246 1.3(17) . . . . ?
C248 C244 C245 C246 -179.5(11) . . . . ?
C244 C245 C246 C247 -5.7(18) . . . . ?
C244 C245 C246 C249 174.2(10) . . . . ?
C245 C246 C247 N39 9(2) . . . . ?
C249 C246 C247 N39 -170.5(13) . . . . ?
C245 C244 C248 O70 171.1(11) . . . . ?
C243 C244 C248 O70 -9.7(19) . . . . ?
C245 C244 C248 O69 -9.5(17) . . . . ?
C243 C244 C248 O69 169.8(11) . . . . ?
C247 C246 C249 O61 16.4(18) . . . . ?
C245 C246 C249 O61 -163.6(11) . . . . ?
C247 C246 C249 O62 -166.6(12) . . . . ?
C245 C246 C249 O62 13.4(16) . . . . ?
N40 C250 C251 C252 11(3) . . . . ?
N40 C250 C251 C255 -177.6(16) . . . . ?
C250 C251 C252 C253 -2(2) . . . . ?
C255 C251 C252 C253 -172.7(12) . . . . ?
C251 C252 C253 C254 -3(2) . . . . ?
C251 C252 C253 C256 176.4(13) . . . . ?
C252 C253 C254 N40 -2(3) . . . . ?
C256 C253 C254 N40 179.1(16) . . . . ?
C252 C251 C255 O51 -14(2) . . . . ?
C250 C251 C255 O51 174.8(14) . . . . ?
C252 C251 C255 O52 171.2(13) . . . . ?
C250 C251 C255 O52 0(2) . . . . ?
C252 C253 C256 O68 9.4(19) . . . . ?
C254 C253 C256 O68 -171.4(14) . . . . ?
C252 C253 C256 O67 -173.4(11) . . . . ?
C254 C253 C256 O67 6(2) . . . . ?
C139 C129 N1 C45 -4(2) . . . . ?
C139 C129 N1 In3 176.5(11) . . . . ?
C159 C45 N1 C129 0.3(18) . . . . ?
C46 C45 N1 C129 179.8(11) . . . . ?
C159 C45 N1 In3 -179.9(8) . . . . ?
C46 C45 N1 In3 -0.4(13) . . . . ?
C47 C46 N2 N3 0.5(12) . . . . ?
C45 C46 N2 N3 179.3(9) . . . . ?
C47 C46 N2 In3 -178.7(8) . . . . ?
C45 C46 N2 In3 0.1(12) . . . . ?
C47 C48 N3 N2 -4.9(13) . . . . ?
C47 C48 N3 C1 178.8(10) . . . . ?
C46 N2 N3 C48 2.8(11) . . . . ?
In3 N2 N3 C48 -178.2(8) . . . . ?
C46 N2 N3 C1 179.7(8) . . . . ?
In3 N2 N3 C1 -1.3(14) . . . . ?
C2 C1 N3 C48 -3.1(16) . . . . ?
C2 C1 N3 N2 -179.3(9) . . . . ?
C52 C53 N4 C49 2(2) . . . . ?
C54 C53 N4 C49 180.0(13) . . . . ?
C52 C53 N4 In1 177.6(12) . . . . ?
C54 C53 N4 In1 -4.3(19) . . . . ?
C50 C49 N4 C53 -1(2) . . . . ?
C50 C49 N4 In1 -176.2(10) . . . . ?
C55 C54 N5 N6 5.6(19) . . . . ?
C53 C54 N5 N6 -179.7(15) . . . . ?
C55 C54 N5 In1 -175.6(12) . . . . ?
C53 C54 N5 In1 -1(2) . . . . ?
C54 N5 N6 C56 -8.4(19) . . . . ?
In1 N5 N6 C56 173.3(12) . . . . ?
C54 N5 N6 C11 179.7(12) . . . . ?
In1 N5 N6 C11 1(2) . . . . ?
C55 C56 N6 N5 7(2) . . . . ?
C55 C56 N6 C11 178.4(14) . . . . ?
C12 C11 N6 N5 -178.0(14) . . . . ?
C12 C11 N6 C56 11(2) . . . . ?
C58 C57 N7 C61 0(3) . . . . ?
C58 C57 N7 In2 172.8(12) . . . . ?
C62 C61 N7 C57 168.0(19) . . . . ?
C60 C61 N7 C57 -2(3) . . . . ?
C62 C61 N7 In2 -5(2) . . . . ?
C60 C61 N7 In2 -175.3(16) . . . . ?
C148 C156 N10 C136 -2(2) . . . . ?
C158 C156 N10 C136 177.8(11) . . . . ?
C148 C156 N10 In4 179.7(11) . . . . ?
C158 C156 N10 In4 -0.7(15) . . . . ?
C138 C136 N10 C156 8(2) . . . . ?
C138 C136 N10 In4 -173.6(11) . . . . ?
C166 C158 N11 N12 -1.5(15) . . . . ?
C156 C158 N11 N12 179.0(11) . . . . ?
C166 C158 N11 In4 -176.4(10) . . . . ?
C156 C158 N11 In4 4.2(15) . . . . ?
C158 N11 N12 C168 4.9(15) . . . . ?
In4 N11 N12 C168 177.9(10) . . . . ?
C158 N11 N12 C31 -177.7(11) . . . . ?
In4 N11 N12 C31 -4.7(18) . . . . ?
C166 C168 N12 N11 -6.1(16) . . . . ?
C166 C168 N12 C31 176.9(13) . . . . ?
C32 C31 N12 N11 -174.1(11) . . . . ?
C32 C31 N12 C168 2.9(19) . . . . ?
C76 C77 N13 C73 9(3) . . . . ?
C74 C73 N13 C77 -14(3) . . . . ?
C88 C87 N15 C91 7(2) . . . . ?
C90 C91 N15 C87 -8(2) . . . . ?
C97 C98 N16 C94 3(2) . . . . ?
C95 C94 N16 C98 -1(2) . . . . ?
C102 C101 N17 C105 0(3) . . . . ?
C104 C105 N17 C101 2(3) . . . . ?
C109 C108 N18 C112 2(3) . . . . ?
C111 C112 N18 C108 1(3) . . . . ?
C116 C115 N19 C119 -3(3) . . . . ?
C118 C119 N19 C115 8(2) . . . . ?
C125 C126 N20 C122 12(3) . . . . ?
C123 C122 N20 C126 -22(3) . . . . ?
C170 C169 N21 C173 0(2) . . . . ?
C170 C169 N21 In8 177.1(10) . . . . ?
C172 C173 N21 C169 0.1(17) . . . . ?
C174 C173 N21 C169 -179.5(11) . . . . ?
C172 C173 N21 In8 -177.6(9) . . . . ?
C174 C173 N21 In8 2.7(13) . . . . ?
C175 C174 N22 N23 6.9(14) . . . . ?
C173 C174 N22 N23 175.0(9) . . . . ?
C175 C174 N22 In8 -178.4(9) . . . . ?
C173 C174 N22 In8 -10.4(13) . . . . ?
C174 N22 N23 C176 -4.0(15) . . . . ?
In8 N22 N23 C176 -176.7(11) . . . . ?
C174 N22 N23 C41 177.8(10) . . . . ?
In8 N22 N23 C41 5.1(18) . . . . ?
C175 C176 N23 N22 0(2) . . . . ?
C175 C176 N23 C41 177.5(15) . . . . ?
C130 C41 N23 N22 178.8(10) . . . . ?
C130 C41 N23 C176 1(2) . . . . ?
C180 C181 N24 C177 -8(2) . . . . ?
C182 C181 N24 C177 177.6(12) . . . . ?
C180 C181 N24 In9 170.3(13) . . . . ?
C182 C181 N24 In9 -4.2(17) . . . . ?
C178 C177 N24 C181 0.6(19) . . . . ?
C178 C177 N24 In9 -177.6(9) . . . . ?
C183 C182 N25 N26 9(2) . . . . ?
C181 C182 N25 N26 -178.2(13) . . . . ?
C183 C182 N25 In9 -163.8(13) . . . . ?
C181 C182 N25 In9 9.1(18) . . . . ?
C183 C184 N26 N25 6(2) . . . . ?
C183 C184 N26 C42 171.1(16) . . . . ?
C182 N25 N26 C184 -8.7(19) . . . . ?
In9 N25 N26 C184 161.3(13) . . . . ?
C182 N25 N26 C42 -176.5(13) . . . . ?
In9 N25 N26 C42 -7(2) . . . . ?
C140 C42 N26 C184 21(2) . . . . ?
C140 C42 N26 N25 -174.3(12) . . . . ?
C186 C185 N27 C189 -1.9(19) . . . . ?
C186 C185 N27 In10 179.1(10) . . . . ?
C188 C189 N27 C185 -0.3(16) . . . . ?
C190 C189 N27 C185 -179.5(10) . . . . ?
C188 C189 N27 In10 178.8(8) . . . . ?
C190 C189 N27 In10 -0.5(13) . . . . ?
C191 C190 N28 N29 0.0(14) . . . . ?
C189 C190 N28 N29 -178.3(10) . . . . ?
C191 C190 N28 In10 -177.9(9) . . . . ?
C189 C190 N28 In10 3.8(13) . . . . ?
C190 N28 N29 C192 2.7(13) . . . . ?
In10 N28 N29 C192 180.0(9) . . . . ?
C190 N28 N29 C43 178.3(10) . . . . ?
In10 N28 N29 C43 -4.5(16) . . . . ?
C191 C192 N29 N28 -4.4(17) . . . . ?
C191 C192 N29 C43 -179.5(13) . . . . ?
C150 C43 N29 N28 175.4(10) . . . . ?
C150 C43 N29 C192 -10.2(19) . . . . ?
C194 C193 N30 C197 2.0(17) . . . . ?
C194 C193 N30 In11 -179.3(9) . . . . ?
C196 C197 N30 C193 1.1(17) . . . . ?
C198 C197 N30 C193 179.3(10) . . . . ?
C196 C197 N30 In11 -177.6(9) . . . . ?
C198 C197 N30 In11 0.6(13) . . . . ?
C197 C198 N31 N32 178.4(11) . . . . ?
C199 C198 N31 N32 0.9(14) . . . . ?
C197 C198 N31 In11 4.0(15) . . . . ?
C199 C198 N31 In11 -173.5(9) . . . . ?
C199 C200 N32 N31 -1.9(18) . . . . ?
C199 C200 N32 C44 -179.4(13) . . . . ?
C198 N31 N32 C200 0.6(15) . . . . ?
In11 N31 N32 C200 172.8(10) . . . . ?
C198 N31 N32 C44 178.4(10) . . . . ?
In11 N31 N32 C44 -9.4(18) . . . . ?
C160 C44 N32 C200 1(2) . . . . ?
C160 C44 N32 N31 -176.1(11) . . . . ?
C202 C201 N33 C205 7(2) . . . . ?
C204 C205 N33 C201 -6(2) . . . . ?
C216 C215 N35 C219 1(3) . . . . ?
C218 C219 N35 C215 3(2) . . . . ?
C225 C226 N36 C222 6(3) . . . . ?
C223 C222 N36 C226 -5(3) . . . . ?
C232 C233 N37 C229 5(2) . . . . ?
C230 C229 N37 C233 -6(2) . . . . ?
C237 C236 N38 C240 -2(2) . . . . ?
C239 C240 N38 C236 0(2) . . . . ?
C244 C243 N39 C247 4(3) . . . . ?
C246 C247 N39 C243 -8(3) . . . . ?
C251 C250 N40 C254 -16(3) . . . . ?
C253 C254 N40 C250 12(3) . . . . ?
O2 C8 O1 C7 -89.8(14) . . . . ?
C6 C7 O1 C8 80.6(15) . . . . ?
C2 C7 O1 C8 -103.5(12) . . . . ?
C12 C13 O2 C8 102.4(12) . . . . ?
C14 C13 O2 C8 -81.0(14) . . . . ?
O1 C8 O2 C13 96.8(15) . . . . ?
C16 C17 O3 C18 76.1(18) . . . . ?
C12 C17 O3 C18 -105.5(17) . . . . ?
O4 C18 O3 C17 -90(2) . . . . ?
O3 C18 O4 C23 90.7(19) . . . . ?
C24 C23 O4 C18 -84(2) . . . . ?
C22 C23 O4 C18 101.7(19) . . . . ?
C22 C27 O5 C28 -99.9(15) . . . . ?
C26 C27 O5 C28 83.4(15) . . . . ?
O6 C28 O5 C27 -94.9(14) . . . . ?
C34 C33 O6 C28 -82.3(15) . . . . ?
C32 C33 O6 C28 102.1(14) . . . . ?
O5 C28 O6 C33 93.4(14) . . . . ?
O8 C38 O7 C37 -91.6(12) . . . . ?
C32 C37 O7 C38 -99.1(12) . . . . ?
C36 C37 O7 C38 81.2(12) . . . . ?
C2 C3 O8 C38 100.4(12) . . . . ?
C4 C3 O8 C38 -77.6(13) . . . . ?
O7 C38 O8 C3 88.1(13) . . . . ?
O10 C107 O9 In3 -2.4(12) . . . . ?
C104 C107 O9 In3 174.6(9) . . . . ?
O9 C107 O10 In3 2.3(11) . . . . ?
C104 C107 O10 In3 -174.9(9) . . . . ?
O12 C127 O11 In3 -5.9(14) . . . . ?
C123 C127 O11 In3 172.6(12) . . . . ?
O11 C127 O12 In3 6.3(15) . . . . ?
C123 C127 O12 In3 -172.3(12) . . . . ?
O14 C78 O13 In3 -0.5(15) . . . . ?
C74 C78 O13 In3 179.7(14) . . . . ?
O13 C78 O14 In3 0.5(17) . . . . ?
C74 C78 O14 In3 -179.6(10) . . . . ?
O16 C114 O15 In1 -4.7(12) . . . . ?
C111 C114 O15 In1 175.3(10) . . . . ?
O15 C114 O16 In1 4.6(12) . . . . ?
C111 C114 O16 In1 -175.4(10) . . . . ?
O18 C106 O17 In1 -7.9(16) . . . . ?
C102 C106 O17 In1 174.3(12) . . . . ?
O17 C106 O18 In1 8.5(17) . . . . ?
C102 C106 O18 In1 -173.7(11) . . . . ?
O20 C85 O19 O19' 61(6) . . . . ?
C81 C85 O19 O19' -147(5) . . . . ?
In1 C85 O19 O19' 44(5) . . . . ?
O19' C85 O20 In1 5(3) . . . . ?
O19 C85 O20 In1 -21(3) . . . . ?
C81 C85 O20 In1 -171.6(10) . . . . ?
O22 C121 O21 In2 -0.7(15) . . . . ?
C118 C121 O21 In2 -180.0(11) . . . . ?
O21 C121 O22 In2 0.7(15) . . . . ?
C118 C121 O22 In2 180.0(12) . . . . ?
O24 C113 O23 In2 -6.3(13) . . . . ?
C109 C113 O23 In2 175.6(13) . . . . ?
O23 C113 O24 In2 6.6(14) . . . . ?
C109 C113 O24 In2 -175.3(12) . . . . ?
O25 C92 O26 In2 1.5(16) . . . . ?
C88 C92 O26 In2 179.6(7) . . . . ?
O28 C128 O27 In4 2.0(12) . . . . ?
C125 C128 O27 In4 175.8(10) . . . . ?
O27 C128 O28 In4 -2.0(12) . . . . ?
C125 C128 O28 In4 -175.6(11) . . . . ?
O30 C120 O29 In4 -1.2(11) . . . . ?
C116 C120 O29 In4 173.5(10) . . . . ?
O29 C120 O30 In4 1.3(12) . . . . ?
C116 C120 O30 In4 -173.0(10) . . . . ?
O32 C99 O31 In4 3.1(14) . . . . ?
C95 C99 O31 In4 -175.8(11) . . . . ?
O31 C99 O32 In4 -3.6(15) . . . . ?
C95 C99 O32 In4 175.4(9) . . . . ?
O34 C79 O33 In6 7(2) . . . . ?
C76 C79 O33 In6 -175.6(8) . . . . ?
O33 C79 O34 In5 -1(2) . . . . ?
C76 C79 O34 In5 -177.9(8) . . . . ?
O35 C86 O36 In5 -13(4) . . . . ?
C83 C86 O36 In5 -171.7(11) . . . . ?
O37 C93 O38 In5 8(3) . . . . ?
C90 C93 O38 In5 176.6(9) . . . . ?
O40 C100 O39 In6 -13(2) . . . . ?
C97 C100 O39 In6 164.8(8) . . . . ?
O39 C100 O40 In5 3.5(19) . . . . ?
C97 C100 O40 In5 -174.2(7) . . . . ?
C134 C135 O41 C69 86.6(15) . . . . ?
C130 C135 O41 C69 -96.9(15) . . . . ?
O42 C69 O41 C135 -96.9(13) . . . . ?
O41 C69 O42 C141 91.6(13) . . . . ?
C140 C141 O42 C69 102.5(14) . . . . ?
C142 C141 O42 C69 -82.0(14) . . . . ?
C144 C145 O43 C70 79.0(14) . . . . ?
C140 C145 O43 C70 -101.9(13) . . . . ?
O44 C70 O43 C145 -86.0(14) . . . . ?
O43 C70 O44 C151 89.4(13) . . . . ?
C150 C151 O44 C70 96.7(15) . . . . ?
C152 C151 O44 C70 -85.2(13) . . . . ?
C154 C155 O45 C71 81.1(14) . . . . ?
C150 C155 O45 C71 -104.2(13) . . . . ?
O46 C71 O45 C155 -91.5(13) . . . . ?
C160 C161 O46 C71 97.7(12) . . . . ?
C162 C161 O46 C71 -83.5(12) . . . . ?
O45 C71 O46 C161 96.3(13) . . . . ?
C160 C165 O47 C72 -102.2(12) . . . . ?
C164 C165 O47 C72 85.4(12) . . . . ?
O48 C72 O47 C165 -97.6(14) . . . . ?
C132 C131 O48 C72 -79.7(15) . . . . ?
C130 C131 O48 C72 100.9(13) . . . . ?
O47 C72 O48 C131 93.8(13) . . . . ?
O50 C235 O49 In8 -2.5(14) . . . . ?
C232 C235 O49 In8 174.8(10) . . . . ?
O49 C235 O50 In8 2.3(13) . . . . ?
C232 C235 O50 In8 -175.1(9) . . . . ?
O52 C255 O51 In8 -11.2(13) . . . . ?
C251 C255 O51 In8 174.3(11) . . . . ?
O51 C255 O52 In8 12.2(14) . . . . ?
C251 C255 O52 In8 -173.7(11) . . . . ?
O54 C206 O53 In8 -3.3(10) . . . . ?
C202 C206 O53 In8 178.7(8) . . . . ?
O53 C206 O54 In8 3.7(12) . . . . ?
C202 C206 O54 In8 -178.3(8) . . . . ?
O56 C242 O55 In9 -6.3(13) . . . . ?
C239 C242 O55 In9 171.1(10) . . . . ?
O55 C242 O56 In9 5.8(12) . . . . ?
C239 C242 O56 In9 -171.5(12) . . . . ?
O58 C234 O57 In9 -8.7(12) . . . . ?
C230 C234 O57 In9 173.7(10) . . . . ?
O57 C234 O58 In9 9.0(12) . . . . ?
C230 C234 O58 In9 -173.4(10) . . . . ?
O60 C213 O59 In9 7.1(16) . . . . ?
C209 C213 O59 In9 -179.0(15) . . . . ?
O59 C213 O60 In9 -8.2(19) . . . . ?
C209 C213 O60 In9 177.2(10) . . . . ?
O62 C249 O61 In10 -4.2(13) . . . . ?
C246 C249 O61 In10 172.6(9) . . . . ?
O61 C249 O62 In10 3.9(12) . . . . ?
C246 C249 O62 In10 -172.9(9) . . . . ?
O64 C241 O63 In10 -6.5(10) . . . . ?
C237 C241 O63 In10 175.1(9) . . . . ?
O63 C241 O64 In10 6.8(10) . . . . ?
C237 C241 O64 In10 -174.8(9) . . . . ?
O66 C220 O65 In10 4.5(12) . . . . ?
C216 C220 O65 In10 -176.9(12) . . . . ?
O65 C220 O66 In10 -5.3(14) . . . . ?
C216 C220 O66 In10 176.0(8) . . . . ?
O68 C256 O67 In11 -4.9(12) . . . . ?
C253 C256 O67 In11 178.0(10) . . . . ?
O67 C256 O68 In11 4.8(12) . . . . ?
C253 C256 O68 In11 -178.2(10) . . . . ?
O70 C248 O69 In11 -5.2(10) . . . . ?
C244 C248 O69 In11 175.3(9) . . . . ?
O69 C248 O70 In11 5.4(10) . . . . ?
C244 C248 O70 In11 -175.1(10) . . . . ?
O72 C227 O71 In11 -7.1(15) . . . . ?
C223 C227 O71 In11 -175.1(17) . . . . ?
O71 C227 O72 In11 8.6(18) . . . . ?
C223 C227 O72 In11 177.9(11) . . . . ?
O73 C207 O74 In7 -4(3) . . . . ?
C204 C207 O74 In7 -178.2(9) . . . . ?
O75 C214 O76 In7 2(3) . . . . ?
C211 C214 O76 In7 -177.6(9) . . . . ?
O78 C221 O77 In6 -7.9(19) . . . . ?
C218 C221 O77 In6 173.4(8) . . . . ?
O77 C221 O78 In7 8.1(18) . . . . ?
C218 C221 O78 In7 -173.2(7) . . . . ?
O80 C228 O79 In6 2(2) . . . . ?
C225 C228 O79 In6 -168.2(9) . . . . ?
O79 C228 O80 In7 8(2) . . . . ?
C225 C228 O80 In7 177.6(9) . . . . ?
C27 C22 C21 N9 -93.3(17) . . . . ?
C23 C22 C21 N9 88.1(17) . . . . ?
N8 N9 C21 C22 -178.5(13) . . . . ?
C64 N9 C21 C22 12(3) . . . . ?
C85 O19 O19' In1 -96(6) . . . . ?
O20 C85 O19' O19 -135(5) . . . . ?
C81 C85 O19' O19 41(6) . . . . ?
In1 C85 O19' O19 -131(5) . . . . ?
O20 C85 O19' In1 -4(2) . . . . ?
O19 C85 O19' In1 131(5) . . . . ?
C81 C85 O19' In1 171.8(17) . . . . ?
