#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:13:34 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180495 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/64/7216408.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_7216408
loop_
_publ_author_name
'Guo, Huadong'
'Guo, Xianmin'
'Zou, Hengye'
'Qi, Yanjuan'
'Chen, Ruizhan'
'Zhao, Lun'
'Liu, Chunming'
_publ_section_title
;
 A series of coordination polymers assembled from
 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible
 bis(imidazole) ligands: synthesis, structures and properties
;
_journal_issue                   32
_journal_name_full               CrystEngComm
_journal_page_first              7459
_journal_paper_doi               10.1039/C4CE00664J
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C49 H48 N6 Ni2 O11'
_chemical_formula_sum            'C49 H48 N6 Ni2 O11'
_chemical_formula_weight         1014.35
_chemical_melting_point          ?
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                109.353(2)
_cell_angle_beta                 101.206(2)
_cell_angle_gamma                108.562(2)
_cell_formula_units_Z            2
_cell_length_a                   11.6756(13)
_cell_length_b                   14.7495(16)
_cell_length_c                   16.4661(18)
_cell_measurement_reflns_used    9340
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.02
_cell_measurement_theta_min      1.61
_cell_volume                     2389.5(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 9.00cm
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0386
_diffrn_reflns_av_sigmaI/netI    0.0875
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13426
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.39
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    0.854
_exptl_absorpt_correction_T_max  0.824
_exptl_absorpt_correction_T_min  0.782
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1056
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.141
_refine_diff_density_min         -0.579
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.971
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     612
_refine_ls_number_reflns         9340
_refine_ls_number_restraints     1189
_refine_ls_restrained_S_all      0.949
_refine_ls_R_factor_all          0.0905
_refine_ls_R_factor_gt           0.0570
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1110P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1715
_refine_ls_wR_factor_ref         0.1894
_reflns_number_gt                6039
_reflns_number_total             9340
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce00664j2.cif
_cod_data_source_block           cncnc2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7216403--7216409.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7216408
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.4342(4) 0.0242(3) 0.7593(3) 0.0289(10) Uani 1 1 d U
C2 C 0.3598(4) -0.0600(4) 0.7848(3) 0.0320(10) Uani 1 1 d U
C3 C 0.3769(5) -0.0440(4) 0.8745(3) 0.0482(14) Uani 1 1 d U
H3 H 0.4386 0.0194 0.9214 0.058 Uiso 1 1 calc R
C4 C 0.3029(5) -0.1217(4) 0.8953(3) 0.0491(13) Uani 1 1 d U
H4 H 0.3157 -0.1108 0.9559 0.059 Uiso 1 1 calc R
C5 C 0.2102(5) -0.2154(4) 0.8259(3) 0.0369(11) Uani 1 1 d U
C6 C 0.1963(4) -0.2319(3) 0.7357(3) 0.0297(10) Uani 1 1 d U
C7 C 0.2708(4) -0.1553(4) 0.7157(3) 0.0315(10) Uani 1 1 d U
H7 H 0.2613 -0.1677 0.6551 0.038 Uiso 1 1 calc R
C8 C 0.1131(5) -0.3088(4) 0.8250(3) 0.0339(10) Uani 1 1 d U
C9 C 0.0843(5) -0.3339(4) 0.8950(3) 0.0476(13) Uani 1 1 d U
H9 H 0.1309 -0.2870 0.9557 0.057 Uiso 1 1 calc R
C10 C -0.0143(5) -0.4292(4) 0.8733(3) 0.0408(12) Uani 1 1 d U
H10 H -0.0352 -0.4451 0.9201 0.049 Uiso 1 1 calc R
C11 C -0.0831(4) -0.5021(3) 0.7828(3) 0.0278(10) Uani 1 1 d U
C12 C -0.0532(4) -0.4758(3) 0.7144(3) 0.0259(9) Uani 1 1 d U
H12 H -0.0990 -0.5231 0.6537 0.031 Uiso 1 1 calc R
C13 C 0.0434(4) -0.3806(3) 0.7348(3) 0.0275(9) Uani 1 1 d U
C14 C 0.0929(4) -0.3398(3) 0.6697(3) 0.0294(10) Uani 1 1 d U
C15 C 0.1487(5) -0.4088(4) 0.6159(4) 0.0485(14) Uani 1 1 d U
H15A H 0.0812 -0.4766 0.5747 0.073 Uiso 1 1 calc R
H15B H 0.2101 -0.4175 0.6572 0.073 Uiso 1 1 calc R
H15C H 0.1901 -0.3761 0.5817 0.073 Uiso 1 1 calc R
C16 C -0.0118(5) -0.3308(4) 0.6042(3) 0.0423(13) Uani 1 1 d U
H16A H -0.0760 -0.4002 0.5631 0.063 Uiso 1 1 calc R
H16B H 0.0257 -0.2960 0.5699 0.063 Uiso 1 1 calc R
H16C H -0.0504 -0.2908 0.6387 0.063 Uiso 1 1 calc R
C17 C -0.1844(4) -0.6082(3) 0.7598(3) 0.0249(9) Uani 1 1 d U
C18 C 0.4548(4) 0.2677(3) 0.6793(3) 0.0261(9) Uani 1 1 d U
C19 C 0.4414(4) 0.3556(3) 0.6572(3) 0.0266(9) Uani 1 1 d U
C20 C 0.3506(4) 0.3309(4) 0.5754(3) 0.0311(10) Uani 1 1 d U
H20 H 0.2927 0.2612 0.5391 0.037 Uiso 1 1 calc R
C21 C 0.3453(4) 0.4082(4) 0.5477(3) 0.0308(9) Uani 1 1 d U
H21 H 0.2838 0.3913 0.4934 0.037 Uiso 1 1 calc R
C22 C 0.4322(4) 0.5105(3) 0.6011(3) 0.0269(9) Uani 1 1 d U
C23 C 0.5220(4) 0.5381(3) 0.6850(3) 0.0289(9) Uani 1 1 d U
C24 C 0.5258(4) 0.4593(3) 0.7125(3) 0.0282(9) Uani 1 1 d U
H24 H 0.5849 0.4763 0.7679 0.034 Uiso 1 1 calc R
C25 C 0.4533(4) 0.6053(3) 0.5850(3) 0.0257(9) Uani 1 1 d U
C26 C 0.3934(4) 0.6205(3) 0.5135(3) 0.0286(9) Uani 1 1 d U
H26 H 0.3262 0.5637 0.4637 0.034 Uiso 1 1 calc R
C27 C 0.4326(4) 0.7197(3) 0.5153(3) 0.0274(9) Uani 1 1 d U
H27 H 0.3921 0.7299 0.4668 0.033 Uiso 1 1 calc R
C28 C 0.5326(4) 0.8043(3) 0.5895(3) 0.0262(9) Uani 1 1 d U
C29 C 0.5955(4) 0.7901(4) 0.6610(3) 0.0292(9) Uani 1 1 d U
H29 H 0.6637 0.8472 0.7098 0.035 Uiso 1 1 calc R
C30 C 0.5569(4) 0.6909(3) 0.6600(3) 0.0264(9) Uani 1 1 d U
C31 C 0.6087(4) 0.6553(3) 0.7294(3) 0.0291(9) Uani 1 1 d U
C32 C 0.5974(6) 0.7134(4) 0.8205(3) 0.0520(14) Uani 1 1 d U
H32A H 0.6310 0.6904 0.8642 0.078 Uiso 1 1 calc R
H32B H 0.5089 0.6985 0.8133 0.078 Uiso 1 1 calc R
H32C H 0.6453 0.7879 0.8416 0.078 Uiso 1 1 calc R
C33 C 0.7483(5) 0.6738(4) 0.7418(4) 0.0452(13) Uani 1 1 d U
H33A H 0.7785 0.6507 0.7864 0.068 Uiso 1 1 calc R
H33B H 0.7994 0.7476 0.7621 0.068 Uiso 1 1 calc R
H33C H 0.7548 0.6346 0.6846 0.068 Uiso 1 1 calc R
C34 C 0.5742(4) 0.9133(3) 0.5935(3) 0.0279(9) Uani 1 1 d U
C35 C 0.1661(6) -0.0038(5) 0.4802(5) 0.0696(18) Uani 1 1 d U
H35 H 0.1795 0.0668 0.5011 0.084 Uiso 1 1 calc R
C36 C 0.0558(6) -0.0848(5) 0.4240(5) 0.0727(18) Uani 1 1 d U
H36 H -0.0192 -0.0812 0.3966 0.087 Uiso 1 1 calc R
C37 C 0.1973(5) -0.1429(4) 0.4614(3) 0.0354(11) Uani 1 1 d U
H37 H 0.2356 -0.1887 0.4642 0.042 Uiso 1 1 calc R
C38 C -0.0121(5) -0.2810(4) 0.3566(4) 0.0544(14) Uani 1 1 d DU
H38A H 0.0337 -0.3127 0.3214 0.065 Uiso 1 1 calc R
H38B H -0.0300 -0.3167 0.3957 0.065 Uiso 1 1 calc R
C39 C -0.1257(5) -0.3044(5) 0.2973(4) 0.0543(14) Uani 1 1 d DU
C40 C -0.2066(6) -0.4189(5) 0.2301(4) 0.0547(15) Uani 1 1 d U
C41 C -0.2322(16) -0.4247(14) 0.1358(12) 0.044(2) Uiso 0.40 1 d PU
C41A C -0.2743(19) -0.4134(16) 0.1346(14) 0.042(3) Uiso 0.30 1 d PU
C41B C -0.1882(18) -0.4359(16) 0.1478(13) 0.040(3) Uiso 0.30 1 d PU
C42 C 0.7242(5) 0.4281(4) 0.9917(4) 0.0470(13) Uani 1 1 d U
C43 C 0.5748(14) 0.2977(12) 0.9889(10) 0.038(2) Uiso 0.40 1 d PU
C43A C 0.5242(17) 0.3199(14) 0.9703(12) 0.037(3) Uiso 0.30 1 d PU
C43B C 0.6165(16) 0.2835(13) 1.0024(11) 0.029(3) Uiso 0.30 1 d PU
C44 C 0.6086(15) 0.3826(12) 1.0704(10) 0.046(3) Uiso 0.40 1 d PU
C44A C 0.6575(17) 0.3668(13) 1.0846(11) 0.032(3) Uiso 0.30 1 d PU
C44B C 0.5601(18) 0.4057(14) 1.0426(12) 0.040(3) Uiso 0.30 1 d PU
C45 C 0.9104(6) 0.2337(5) 0.8640(5) 0.0670(16) Uani 1 1 d U
H45 H 0.9491 0.2925 0.8535 0.080 Uiso 1 1 calc R
C46 C 0.9700(7) 0.1793(6) 0.8892(5) 0.0777(18) Uani 1 1 d U
H46 H 1.0563 0.1931 0.8993 0.093 Uiso 1 1 calc R
C47 C 0.7728(6) 0.1104(5) 0.8760(4) 0.0522(13) Uani 1 1 d U
H47 H 0.6958 0.0650 0.8753 0.063 Uiso 1 1 calc R
C48 C 0.8840(15) 0.0216(13) 0.9354(11) 0.061(2) Uiso 0.50 1 d PU
C48' C 0.9127(15) 0.0193(13) 0.9143(10) 0.060(2) Uiso 0.50 1 d PU
C49 C 1.0006(15) 0.0096(12) 0.9378(10) 0.076(2) Uiso 0.50 1 d PU
C49' C 0.9933(14) 0.0730(12) 1.0223(10) 0.076(2) Uiso 0.50 1 d PU
N1 N 0.2578(4) -0.0397(3) 0.5029(3) 0.0318(9) Uani 1 1 d .
N2 N 0.0737(4) -0.1743(3) 0.4145(3) 0.0504(13) Uani 1 1 d .
N3 N 0.6969(13) 0.4647(10) 1.0657(8) 0.026(3) Uiso 0.40 1 d P
N3A N 0.6620(16) 0.4811(13) 1.0567(11) 0.036(4) Uiso 0.30 1 d P
N3B N 0.7367(13) 0.4530(10) 1.0765(9) 0.021(3) Uiso 0.30 1 d P
N4 N 0.6493(4) 0.3272(3) 0.9410(3) 0.0499(13) Uani 1 1 d .
N5 N 0.7852(4) 0.1913(3) 0.8558(3) 0.0408(11) Uani 1 1 d .
N6 N 0.8828(5) 0.1008(4) 0.8974(4) 0.0673(16) Uani 1 1 d .
O1 O 0.4035(3) 0.0013(2) 0.6763(2) 0.0397(9) Uani 1 1 d .
O2 O 0.5164(3) 0.1097(2) 0.8216(2) 0.0375(8) Uani 1 1 d .
O3 O -0.2128(3) -0.6260(2) 0.8242(2) 0.0352(8) Uani 1 1 d .
O4 O -0.2314(3) -0.6724(2) 0.6784(2) 0.0331(8) Uani 1 1 d .
O5 O 0.4037(3) 0.1784(2) 0.6138(2) 0.0333(8) Uani 1 1 d .
O6 O 0.5146(3) 0.2900(2) 0.7604(2) 0.0340(8) Uani 1 1 d .
O7 O 0.5021(3) 0.9273(2) 0.5327(2) 0.0284(7) Uani 1 1 d .
O8 O 0.6716(3) 0.9843(2) 0.6559(2) 0.0419(9) Uani 1 1 d .
O9 O 0.6300(3) 0.1511(2) 0.67590(19) 0.0231(6) Uani 1 1 d .
OW1 O 0.9153(14) 0.9416(11) 0.6912(10) 0.298(7) Uiso 1 1 d .
OW2 O 0.2225(14) 0.1133(11) 0.7383(10) 0.297(6) Uiso 1 1 d .
Ni1 Ni 0.64312(5) 0.23756(4) 0.81322(4) 0.02683(18) Uani 1 1 d .
Ni2 Ni 0.44538(5) 0.05197(4) 0.58150(4) 0.02221(17) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
Ni Ni 0.3393 1.1124 '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
O1 C1 O2 126.2(4) . .
O1 C1 C2 115.2(4) . .
O2 C1 C2 118.6(4) . .
C7 C2 C3 119.4(4) . .
C7 C2 C1 118.4(4) . .
C3 C2 C1 122.1(4) . .
C2 C3 C4 120.4(5) . .
C2 C3 H3 119.8 . .
C4 C3 H3 119.8 . .
C5 C4 C3 120.0(4) . .
C5 C4 H4 120.0 . .
C3 C4 H4 120.0 . .
C4 C5 C6 119.0(4) . .
C4 C5 C8 133.2(4) . .
C6 C5 C8 107.8(4) . .
C7 C6 C5 120.7(4) . .
C7 C6 C14 128.0(4) . .
C5 C6 C14 111.3(4) . .
C6 C7 C2 120.4(4) . .
C6 C7 H7 119.8 . .
C2 C7 H7 119.8 . .
C13 C8 C9 119.4(4) . .
C13 C8 C5 108.6(4) . .
C9 C8 C5 132.0(4) . .
C10 C9 C8 119.3(4) . .
C10 C9 H9 120.4 . .
C8 C9 H9 120.4 . .
C9 C10 C11 121.5(4) . .
C9 C10 H10 119.3 . .
C11 C10 H10 119.3 . .
C12 C11 C10 118.4(4) . .
C12 C11 C17 120.3(4) . .
C10 C11 C17 121.3(4) . .
C13 C12 C11 120.9(4) . .
C13 C12 H12 119.6 . .
C11 C12 H12 119.6 . .
C12 C13 C8 120.6(4) . .
C12 C13 C14 128.4(4) . .
C8 C13 C14 110.9(4) . .
C13 C14 C6 101.2(3) . .
C13 C14 C15 111.0(4) . .
C6 C14 C15 111.2(4) . .
C13 C14 C16 111.9(4) . .
C6 C14 C16 111.1(4) . .
C15 C14 C16 110.1(4) . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C14 C16 H16A 109.5 . .
C14 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C14 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
O4 C17 O3 125.2(4) . .
O4 C17 C11 117.1(4) . .
O3 C17 C11 117.7(4) . .
O5 C18 O6 126.5(4) . .
O5 C18 C19 115.6(4) . .
O6 C18 C19 117.9(4) . .
C24 C19 C20 119.8(4) . .
C24 C19 C18 120.7(4) . .
C20 C19 C18 119.2(4) . .
C21 C20 C19 121.0(4) . .
C21 C20 H20 119.5 . .
C19 C20 H20 119.5 . .
C22 C21 C20 119.0(4) . .
C22 C21 H21 120.5 . .
C20 C21 H21 120.5 . .
C21 C22 C23 121.3(4) . .
C21 C22 C25 130.1(4) . .
C23 C22 C25 108.6(4) . .
C24 C23 C22 119.1(4) . .
C24 C23 C31 129.9(4) . .
C22 C23 C31 110.9(4) . .
C19 C24 C23 119.8(4) . .
C19 C24 H24 120.1 . .
C23 C24 H24 120.1 . .
C26 C25 C30 120.3(4) . .
C26 C25 C22 131.7(4) . .
C30 C25 C22 108.0(4) . .
C25 C26 C27 120.0(4) . .
C25 C26 H26 120.0 . .
C27 C26 H26 120.0 . .
C26 C27 C28 120.0(4) . .
C26 C27 H27 120.0 . .
C28 C27 H27 120.0 . .
C29 C28 C27 120.8(4) . .
C29 C28 C34 118.7(4) . .
C27 C28 C34 120.6(4) . .
C28 C29 C30 119.8(4) . .
C28 C29 H29 120.1 . .
C30 C29 H29 120.1 . .
C29 C30 C25 119.1(4) . .
C29 C30 C31 129.9(4) . .
C25 C30 C31 111.0(4) . .
C30 C31 C32 110.1(4) . .
C30 C31 C23 101.6(4) . .
C32 C31 C23 112.9(4) . .
C30 C31 C33 111.5(4) . .
C32 C31 C33 109.5(4) . .
C23 C31 C33 111.1(4) . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C31 C33 H33A 109.5 . .
C31 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C31 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
O8 C34 O7 124.2(4) . .
O8 C34 C28 118.4(4) . .
O7 C34 C28 117.4(4) . .
C36 C35 N1 110.1(5) . .
C36 C35 H35 124.9 . .
N1 C35 H35 124.9 . .
C35 C36 N2 106.7(5) . .
C35 C36 H36 126.6 . .
N2 C36 H36 126.6 . .
N1 C37 N2 111.9(5) . .
N1 C37 H37 124.0 . .
N2 C37 H37 124.0 . .
C39 C38 N2 120.6(6) . .
C39 C38 H38A 107.2 . .
N2 C38 H38A 107.2 . .
C39 C38 H38B 107.2 . .
N2 C38 H38B 107.2 . .
H38A C38 H38B 106.8 . .
C38 C39 C40 118.1(6) . .
C41B C40 C41 24.0(9) . .
C41B C40 C39 109.9(10) . .
C41 C40 C39 108.3(8) . .
C41B C40 C41A 43.8(10) . .
C41 C40 C41A 19.8(8) . .
C39 C40 C41A 104.7(9) . .
C41A C41 C41B 163(6) . .
C41A C41 N3 98(4) . 1_444
C41B C41 N3 88(3) . 1_444
C41A C41 C40 97(3) . .
C41B C41 C40 66(3) . .
N3 C41 C40 111.6(13) 1_444 .
C41A C41 N3A 78(3) . 1_444
C41B C41 N3A 110(3) . 1_444
N3 C41 N3A 21.6(8) 1_444 1_444
C40 C41 N3A 121.0(13) . 1_444
C41A C41 N3B 117(4) . 1_444
C41B C41 N3B 68(3) . 1_444
N3 C41 N3B 20.3(7) 1_444 1_444
C40 C41 N3B 101.4(11) . 1_444
N3A C41 N3B 41.9(9) 1_444 1_444
C41 C41A C41B 9(3) . .
C41 C41A N3A 81(3) . 1_444
C41B C41A N3A 84.6(16) . 1_444
C41 C41A N3 62(3) . 1_444
C41B C41A N3 65.6(14) . 1_444
N3A C41A N3 19.4(7) 1_444 1_444
C41 C41A C40 63(3) . .
C41B C41A C40 54.6(12) . .
N3A C41A C40 111.7(14) 1_444 .
N3 C41A C40 95.8(12) 1_444 .
C41 C41A N3B 48(3) . 1_444
C41B C41A N3B 50.3(12) . 1_444
N3A C41A N3B 34.9(9) 1_444 1_444
N3 C41A N3B 15.5(6) 1_444 1_444
C40 C41A N3B 83.5(10) . 1_444
C41 C41B C41A 8(3) . .
C41 C41B C40 90(3) . .
C41A C41B C40 81.6(14) . .
C41 C41B N3B 90(3) . 1_444
C41A C41B N3B 93.1(16) . 1_444
C40 C41B N3B 114.3(14) . 1_444
C41 C41B N3 69(3) . 1_444
C41A C41B N3 72.5(15) . 1_444
C40 C41B N3 112.8(13) . 1_444
N3B C41B N3 20.8(7) 1_444 1_444
C41 C41B N3A 52(3) . 1_444
C41A C41B N3A 55.3(13) . 1_444
C40 C41B N3A 110.0(13) . 1_444
N3B C41B N3A 38.5(9) 1_444 1_444
N3 C41B N3A 17.6(7) 1_444 1_444
N3B C42 N3 25.1(7) . .
N3B C42 N4 111.3(7) . .
N3 C42 N4 111.7(7) . .
N3B C42 N3A 45.4(9) . .
N3 C42 N3A 20.3(8) . .
N4 C42 N3A 111.3(7) . .
C43B C43 C43A 175(4) . .
C43B C43 N4 83(2) . .
C43A C43 N4 92.6(18) . .
C43B C43 C44 95(3) . .
C43A C43 C44 84(2) . .
N4 C43 C44 109.0(12) . .
C43B C43 C44A 67(2) . .
C43A C43 C44A 112(2) . .
N4 C43 C44A 103.2(11) . .
C44 C43 C44A 28.6(8) . .
C43B C43 C44B 127(3) . .
C43A C43 C44B 51.6(17) . .
N4 C43 C44B 102.1(11) . .
C44 C43 C44B 32.7(9) . .
C44A C43 C44B 60.7(10) . .
C43 C43A C44B 99(2) . .
C43 C43A C43B 2.0(15) . .
C44B C43A C43B 98.2(16) . .
C43 C43A C44 63.8(17) . .
C44B C43A C44 35.2(10) . .
C43B C43A C44 63.6(12) . .
C43 C43A N4 57.0(15) . .
C44B C43A N4 105.9(14) . .
C43B C43A N4 55.2(9) . .
C44 C43A N4 90.2(11) . .
C43 C43A C44A 44.7(16) . .
C44B C43A C44A 53.9(11) . .
C43B C43A C44A 44.4(10) . .
C44 C43A C44A 19.3(8) . .
N4 C43A C44A 76.7(9) . .
C43 C43B C44A 88(3) . .
C43 C43B N4 71(2) . .
C44A C43B N4 105.9(13) . .
C43 C43B C43A 3(2) . .
C44A C43B C43A 87.8(14) . .
N4 C43B C43A 68.6(10) . .
C43 C43B C44 61(2) . .
C44A C43B C44 27.0(8) . .
N4 C43B C44 96.1(12) . .
C43A C43B C44 60.9(11) . .
C44A C44 C44B 164(3) . .
C44A C44 N3 90(2) . .
C44B C44 N3 78.0(18) . .
C44A C44 C43 83(2) . .
C44B C44 C43 89.6(19) . .
N3 C44 C43 105.1(12) . .
C44A C44 N3B 67(2) . .
C44B C44 N3B 99.9(19) . .
N3 C44 N3B 22.3(7) . .
C43 C44 N3B 101.2(12) . .
C44A C44 N3A 111(2) . .
C44B C44 N3A 57.0(16) . .
N3 C44 N3A 21.7(8) . .
C43 C44 N3A 107.8(13) . .
N3B C44 N3A 44.0(10) . .
C44A C44 C43A 115(2) . .
C44B C44 C43A 57.7(17) . .
N3 C44 C43A 100.3(13) . .
C43 C44 C43A 32.2(8) . .
N3B C44 C43A 109.0(12) . .
N3A C44 C43A 91.6(13) . .
C44A C44 C43B 60(2) . .
C44B C44 C43B 112(2) . .
N3 C44 C43B 103.8(12) . .
C43 C44 C43B 23.3(8) . .
N3B C44 C43B 91.7(12) . .
N3A C44 C43B 115.2(13) . .
C43A C44 C43B 55.5(10) . .
C44 C44A C43B 93(2) . .
C44 C44A N3B 84(2) . .
C43B C44A N3B 106.2(14) . .
C44 C44A C43 68(2) . .
C43B C44A C43 24.9(8) . .
N3B C44A C43 101.6(13) . .
C44 C44A N3 63(2) . .
C43B C44A N3 105.7(13) . .
N3B C44A N3 21.6(7) . .
C43 C44A N3 92.5(12) . .
C44 C44A C44B 9.0(18) . .
C43B C44A C44B 89.2(14) . .
N3B C44A C44B 77.4(12) . .
C43 C44A C44B 64.5(11) . .
N3 C44A C44B 56.0(10) . .
C44 C44A N3A 48.1(19) . .
C43B C44A N3A 104.9(13) . .
N3B C44A N3A 36.2(9) . .
C43 C44A N3A 86.9(11) . .
N3 C44A N3A 14.6(7) . .
C44B C44A N3A 41.7(9) . .
C44 C44A C43A 45.2(19) . .
C43B C44A C43A 47.8(10) . .
N3B C44A C43A 93.7(12) . .
C43 C44A C43A 23.0(8) . .
N3 C44A C43A 78.5(10) . .
C44B C44A C43A 41.5(9) . .
N3A C44A C43A 69.2(9) . .
C44 C44B N3A 87.1(19) . .
C44 C44B C43A 87(2) . .
N3A C44B C43A 116.4(17) . .
C44 C44B N3 65.7(17) . .
N3A C44B N3 22.2(9) . .
C43A C44B N3 107.4(15) . .
C44 C44B C44A 7.2(14) . .
N3A C44B C44A 82.3(14) . .
C43A C44B C44A 84.6(15) . .
N3 C44B C44A 60.4(11) . .
C44 C44B C43 57.7(16) . .
N3A C44B C43 106.6(15) . .
C43A C44B C43 29.8(9) . .
N3 C44B C43 89.2(12) . .
C44A C44B C43 54.8(10) . .
C44 C44B N3B 52.2(15) . .
N3A C44B N3B 36.2(10) . .
C43A C44B N3B 101.0(14) . .
N3 C44B N3B 14.0(7) . .
C44A C44B N3B 46.6(8) . .
C43 C44B N3B 78.7(10) . .
C46 C45 N5 110.1(6) . .
C46 C45 H45 124.9 . .
N5 C45 H45 124.9 . .
C45 C46 N6 107.4(7) . .
C45 C46 H46 126.3 . .
N6 C46 H46 126.3 . .
N5 C47 N6 112.3(5) . .
N5 C47 H47 123.9 . .
N6 C47 H47 123.9 . .
C48' C48 C49 43(3) . .
C48' C48 C49' 95(3) . .
C49 C48 C49' 59.0(10) . .
C48' C48 N6 74(3) . .
C49 C48 N6 107.6(12) . .
C49' C48 N6 109.3(12) . .
C48 C48' C49 118(4) . .
C48 C48' N6 85(3) . .
C49 C48' N6 135.6(17) . .
C48 C48' C49' 66(3) . .
C49 C48' C49' 60.1(12) . .
N6 C48' C49' 105.0(11) . .
C48' C49 C48 19.1(11) . .
C48' C49 C49' 78.3(14) . .
C48 C49 C49' 62.7(10) . .
C48' C49 C49' 123.6(16) . 2_757
C48 C49 C49' 109.6(13) . 2_757
C49' C49 C49' 88.5(13) . 2_757
C49 C49' C48 58.3(10) . .
C49 C49' C49 91.5(13) . 2_757
C48 C49' C49 110.3(13) . 2_757
C49 C49' C48' 41.6(8) . .
C48 C49' C48' 19.0(8) . .
C49 C49' C48' 113.5(13) 2_757 .
C37 N1 C35 104.6(4) . .
C37 N1 Ni2 129.4(3) . .
C35 N1 Ni2 126.0(3) . .
C37 N2 C36 106.5(4) . .
C37 N2 C38 124.3(5) . .
C36 N2 C38 128.6(5) . .
N3A N3 N3B 173(4) . .
N3A N3 C42 105(3) . .
N3B N3 C42 76(2) . .
N3A N3 C44 94(3) . .
N3B N3 C44 92(2) . .
C42 N3 C44 108.1(11) . .
N3A N3 C44B 59(2) . .
N3B N3 C44B 128(3) . .
C42 N3 C44B 106.4(11) . .
C44 N3 C44B 36.2(9) . .
N3A N3 C41 80(3) . 1_666
N3B N3 C41 94(2) . 1_666
C42 N3 C41 123.2(11) . 1_666
C44 N3 C41 128.2(12) . 1_666
C44B N3 C41 122.6(14) . 1_666
N3A N3 C44A 122(3) . .
N3B N3 C44A 64(2) . .
C42 N3 C44A 99.7(11) . .
C44 N3 C44A 27.7(8) . .
C44B N3 C44A 63.6(10) . .
C41 N3 C44A 125.7(12) 1_666 .
N3A N3 C41B 103(3) . 1_666
N3B N3 C41B 71(2) . 1_666
C42 N3 C41B 114.7(11) . 1_666
C44 N3 C41B 127.2(13) . 1_666
C44B N3 C41B 138.4(13) . 1_666
C41 N3 C41B 22.5(8) 1_666 1_666
C44A N3 C41B 113.0(13) . 1_666
N3A N3 C41A 62(2) . 1_666
N3B N3 C41A 112(2) . 1_666
C42 N3 C41A 131.5(11) . 1_666
C44 N3 C41A 118.9(12) . 1_666
C44B N3 C41A 104.3(14) . 1_666
C41 N3 C41A 19.8(8) 1_666 1_666
C44A N3 C41A 127.5(12) . 1_666
C41B N3 C41A 41.8(10) 1_666 1_666
N3 N3A N3B 3(2) . .
N3 N3A C44B 99(3) . .
N3B N3A C44B 102.1(16) . .
N3 N3A C41A 99(3) . 1_666
N3B N3A C41A 95.8(14) . 1_666
C44B N3A C41A 127.6(16) . 1_666
N3 N3A C41 78(2) . 1_666
N3B N3A C41 75.0(12) . 1_666
C44B N3A C41 138.4(16) . 1_666
C41A N3A C41 21.9(9) 1_666 1_666
N3 N3A C44 64(2) . .
N3B N3A C44 67.4(12) . .
C44B N3A C44 35.8(10) . .
C41A N3A C44 121.4(14) 1_666 .
C41 N3A C44 117.0(14) 1_666 .
N3 N3A C42 54(2) . .
N3B N3A C42 54.9(9) . .
C44B N3A C42 103.5(13) . .
C41A N3A C42 126.6(14) 1_666 .
C41 N3A C42 107.5(12) 1_666 .
C44 N3A C42 89.9(11) . .
N3 N3A C41B 59(2) . 1_666
N3B N3A C41B 56.4(11) . 1_666
C44B N3A C41B 136.4(15) . 1_666
C41A N3A C41B 40.1(10) 1_666 1_666
C41 N3A C41B 18.6(9) 1_666 1_666
C44 N3A C41B 106.0(13) . 1_666
C42 N3A C41B 93.4(11) . 1_666
N3 N3A C44A 44(2) . .
N3B N3A C44A 46.8(10) . .
C44B N3A C44A 56.1(11) . .
C41A N3A C44A 116.1(13) 1_666 .
C41 N3A C44A 104.5(12) 1_666 .
C44 N3A C44A 20.6(7) . .
C42 N3A C44A 77.9(9) . .
C41B N3A C44A 89.9(11) 1_666 .
N3 N3B N3A 3(2) . .
N3 N3B C42 79(2) . .
N3A N3B C42 79.7(11) . .
N3 N3B C44A 94(2) . .
N3A N3B C44A 97.0(14) . .
C42 N3B C44A 108.8(11) . .
N3 N3B C44 66(2) . .
N3A N3B C44 68.6(12) . .
C42 N3B C44 101.6(11) . .
C44A N3B C44 28.3(8) . .
N3 N3B C41B 88(2) . 1_666
N3A N3B C41B 85.1(13) . 1_666
C42 N3B C41B 121.9(12) . 1_666
C44A N3B C41B 128.6(13) . 1_666
C44 N3B C41B 123.9(13) . 1_666
N3 N3B C41 66(2) . 1_666
N3A N3B C41 63.2(11) . 1_666
C42 N3B C41 114.8(11) . 1_666
C44A N3B C41 126.3(13) . 1_666
C44 N3B C41 110.6(12) . 1_666
C41B N3B C41 22.0(8) 1_666 1_666
N3 N3B C44B 39(2) . .
N3A N3B C44B 41.7(10) . .
C42 N3B C44B 87.7(10) . .
C44A N3B C44B 56.0(10) . .
C44 N3B C44B 27.9(8) . .
C41B N3B C44B 115.5(13) 1_666 .
C41 N3B C44B 95.7(11) 1_666 .
N3 N3B C41A 52(2) . 1_666
N3A N3B C41A 49.2(11) . 1_666
C42 N3B C41A 112.1(11) . 1_666
C44A N3B C41A 117.5(12) . 1_666
C44 N3B C41A 97.6(11) . 1_666
C41B N3B C41A 36.5(10) 1_666 1_666
C41 N3B C41A 15.0(8) 1_666 1_666
C44B N3B C41A 80.8(10) . 1_666
C42 N4 C43 105.6(7) . .
C42 N4 C43B 106.1(8) . .
C43 N4 C43B 25.8(8) . .
C42 N4 C43A 99.9(8) . .
C43 N4 C43A 30.5(8) . .
C43B N4 C43A 56.2(9) . .
C42 N4 Ni1 126.5(4) . .
C43 N4 Ni1 127.8(7) . .
C43B N4 Ni1 122.7(7) . .
C43A N4 Ni1 123.8(7) . .
C47 N5 C45 104.2(5) . .
C47 N5 Ni1 127.8(4) . .
C45 N5 Ni1 127.9(4) . .
C47 N6 C46 106.0(5) . .
C47 N6 C48' 131.9(8) . .
C46 N6 C48' 121.6(8) . .
C47 N6 C48 116.6(7) . .
C46 N6 C48 136.7(8) . .
C48' N6 C48 20.5(7) . .
C1 O1 Ni2 144.2(3) . .
C1 O2 Ni1 129.5(3) . .
C17 O3 Ni1 126.7(3) . 1_445
C18 O5 Ni2 133.7(3) . .
C18 O6 Ni1 131.1(3) . .
C34 O7 Ni2 116.7(3) . 1_565
C34 O7 Ni2 122.5(3) . 2_666
Ni2 O7 Ni2 101.61(11) 1_565 2_666
Ni2 O9 Ni1 116.73(13) . .
N4 Ni1 O2 87.10(14) . .
N4 Ni1 O6 87.76(17) . .
O2 Ni1 O6 99.23(14) . .
N4 Ni1 N5 96.86(19) . .
O2 Ni1 N5 86.90(15) . .
O6 Ni1 N5 172.53(14) . .
N4 Ni1 O3 86.87(14) . 1_665
O2 Ni1 O3 171.76(12) . 1_665
O6 Ni1 O3 86.13(13) . 1_665
N5 Ni1 O3 88.25(15) . 1_665
N4 Ni1 O9 175.45(16) . .
O2 Ni1 O9 94.86(12) . .
O6 Ni1 O9 87.88(12) . .
N5 Ni1 O9 87.35(14) . .
O3 Ni1 O9 91.56(11) 1_665 .
O5 Ni2 O1 101.20(14) . .
O5 Ni2 N1 88.77(14) . .
O1 Ni2 N1 86.54(15) . .
O5 Ni2 O9 87.85(12) . .
O1 Ni2 O9 88.04(12) . .
N1 Ni2 O9 172.95(14) . .
O5 Ni2 O7 170.61(12) . 1_545
O1 Ni2 O7 88.09(13) . 1_545
N1 Ni2 O7 93.24(14) . 1_545
O9 Ni2 O7 91.09(12) . 1_545
O5 Ni2 O7 92.36(12) . 2_666
O1 Ni2 O7 166.39(13) . 2_666
N1 Ni2 O7 92.63(14) . 2_666
O9 Ni2 O7 93.70(11) . 2_666
O7 Ni2 O7 78.39(11) 1_545 2_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.239(5) .
C1 O2 1.247(5) .
C1 C2 1.508(6) .
C2 C7 1.379(6) .
C2 C3 1.380(6) .
C3 C4 1.386(6) .
C3 H3 0.9300 .
C4 C5 1.382(6) .
C4 H4 0.9300 .
C5 C6 1.391(6) .
C5 C8 1.471(6) .
C6 C7 1.368(6) .
C6 C14 1.514(6) .
C7 H7 0.9300 .
C8 C13 1.389(6) .
C8 C9 1.391(6) .
C9 C10 1.381(6) .
C9 H9 0.9300 .
C10 C11 1.394(6) .
C10 H10 0.9300 .
C11 C12 1.378(6) .
C11 C17 1.499(6) .
C12 C13 1.375(6) .
C12 H12 0.9300 .
C13 C14 1.514(6) .
C14 C15 1.515(7) .
C14 C16 1.534(7) .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 O4 1.239(5) .
C17 O3 1.252(5) .
C18 O5 1.250(5) .
C18 O6 1.257(5) .
C18 C19 1.503(6) .
C19 C24 1.381(6) .
C19 C20 1.395(6) .
C20 C21 1.375(6) .
C20 H20 0.9300 .
C21 C22 1.370(6) .
C21 H21 0.9300 .
C22 C23 1.401(6) .
C22 C25 1.463(6) .
C23 C24 1.391(6) .
C23 C31 1.518(6) .
C24 H24 0.9300 .
C25 C26 1.371(6) .
C25 C30 1.413(6) .
C26 C27 1.374(6) .
C26 H26 0.9300 .
C27 C28 1.386(6) .
C27 H27 0.9300 .
C28 C29 1.377(6) .
C28 C34 1.498(6) .
C29 C30 1.381(6) .
C29 H29 0.9300 .
C30 C31 1.510(6) .
C31 C32 1.516(7) .
C31 C33 1.524(7) .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
C33 H33A 0.9600 .
C33 H33B 0.9600 .
C33 H33C 0.9600 .
C34 O8 1.233(5) .
C34 O7 1.293(5) .
C35 C36 1.329(8) .
C35 N1 1.381(7) .
C35 H35 0.9300 .
C36 N2 1.365(8) .
C36 H36 0.9300 .
C37 N1 1.311(6) .
C37 N2 1.341(6) .
C37 H37 0.9300 .
C38 C39 1.346(7) .
C38 N2 1.422(6) .
C38 H38A 0.9700 .
C38 H38B 0.9700 .
C39 C40 1.519(7) .
C40 C41B 1.366(19) .
C40 C41 1.490(18) .
C40 C41A 1.66(2) .
C41 C41A 0.57(2) .
C41 C41B 0.61(2) .
C41 N3 1.48(2) 1_444
C41 N3A 1.50(2) 1_444
C41 N3B 1.62(2) 1_444
C41A C41B 1.16(3) .
C41A N3A 1.48(3) 1_444
C41A N3 1.66(2) 1_444
C41A N3B 1.94(3) 1_444
C41B N3B 1.50(2) 1_444
C41B N3 1.58(2) 1_444
C41B N3A 1.79(2) 1_444
C42 N3B 1.286(13) .
C42 N3 1.304(13) .
C42 N4 1.319(6) .
C42 N3A 1.547(17) .
C43 C43B 0.620(18) .
C43 C43A 0.817(19) .
C43 N4 1.350(14) .
C43 C44 1.38(2) .
C43 C44A 1.47(2) .
C43 C44B 1.63(2) .
C43A C44B 1.29(2) .
C43A C43B 1.44(2) .
C43A C44 1.52(2) .
C43A N4 1.609(18) .
C43A C44A 1.94(3) .
C43B C44A 1.36(2) .
C43B N4 1.418(17) .
C43B C44 1.56(2) .
C44 C44A 0.709(19) .
C44 C44B 0.88(2) .
C44 N3 1.356(18) .
C44 N3B 1.49(2) .
C44 N3A 1.50(2) .
C44A N3B 1.38(2) .
C44A N3 1.53(2) .
C44A C44B 1.57(2) .
C44A N3A 1.88(2) .
C44B N3A 1.26(2) .
C44B N3 1.45(2) .
C44B N3B 1.85(2) .
C45 C46 1.328(9) .
C45 N5 1.353(7) .
C45 H45 0.9300 .
C46 N6 1.343(8) .
C46 H46 0.9300 .
C47 N5 1.314(6) .
C47 N6 1.329(8) .
C47 H47 0.9300 .
C48 C48' 0.528(19) .
C48 C49 1.42(2) .
C48 C49' 1.48(2) .
C48 N6 1.499(17) .
C48' C49 1.096(18) .
C48' N6 1.447(17) .
C48' C49' 1.62(2) .
C49 C49' 1.432(19) .
C49 C49' 1.58(2) 2_757
C49' C49 1.58(2) 2_757
N1 Ni2 2.038(4) .
N3 N3A 0.557(18) .
N3 N3B 0.563(16) .
N3 C41 1.48(2) 1_666
N3 C41B 1.58(2) 1_666
N3 C41A 1.66(2) 1_666
N3A N3B 1.12(2) .
N3A C41A 1.48(3) 1_666
N3A C41 1.50(2) 1_666
N3A C41B 1.79(3) 1_666
N3B C41B 1.50(2) 1_666
N3B C41 1.62(2) 1_666
N3B C41A 1.94(3) 1_666
N4 Ni1 2.053(4) .
N5 Ni1 2.073(4) .
O1 Ni2 2.018(3) .
O2 Ni1 2.059(3) .
O3 Ni1 2.097(3) 1_445
O5 Ni2 2.004(3) .
O6 Ni1 2.069(3) .
O7 Ni2 2.113(3) 1_565
O7 Ni2 2.172(3) 2_666
O9 Ni2 2.094(3) .
O9 Ni1 2.143(3) .
Ni1 O3 2.097(3) 1_665
Ni2 O7 2.113(3) 1_545
Ni2 O7 2.172(3) 2_666
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O1 C1 C2 C7 3.4(7) . .
O2 C1 C2 C7 -178.7(5) . .
O1 C1 C2 C3 -175.8(5) . .
O2 C1 C2 C3 2.1(8) . .
C7 C2 C3 C4 -1.9(9) . .
C1 C2 C3 C4 177.3(5) . .
C2 C3 C4 C5 -0.8(10) . .
C3 C4 C5 C6 2.7(9) . .
C3 C4 C5 C8 -175.9(6) . .
C4 C5 C6 C7 -1.9(8) . .
C8 C5 C6 C7 177.0(5) . .
C4 C5 C6 C14 178.4(5) . .
C8 C5 C6 C14 -2.7(6) . .
C5 C6 C7 C2 -0.8(8) . .
C14 C6 C7 C2 178.8(5) . .
C3 C2 C7 C6 2.7(8) . .
C1 C2 C7 C6 -176.5(4) . .
C4 C5 C8 C13 179.5(6) . .
C6 C5 C8 C13 0.8(6) . .
C4 C5 C8 C9 -1.2(11) . .
C6 C5 C8 C9 -179.9(6) . .
C13 C8 C9 C10 -0.9(9) . .
C5 C8 C9 C10 179.9(6) . .
C8 C9 C10 C11 1.9(9) . .
C9 C10 C11 C12 -1.9(8) . .
C9 C10 C11 C17 176.1(5) . .
C10 C11 C12 C13 0.9(7) . .
C17 C11 C12 C13 -177.0(4) . .
C11 C12 C13 C8 0.0(7) . .
C11 C12 C13 C14 177.6(5) . .
C9 C8 C13 C12 0.0(8) . .
C5 C8 C13 C12 179.4(5) . .
C9 C8 C13 C14 -178.0(5) . .
C5 C8 C13 C14 1.4(6) . .
C12 C13 C14 C6 179.4(5) . .
C8 C13 C14 C6 -2.8(6) . .
C12 C13 C14 C15 -62.4(7) . .
C8 C13 C14 C15 115.4(5) . .
C12 C13 C14 C16 61.0(7) . .
C8 C13 C14 C16 -121.2(5) . .
C7 C6 C14 C13 -176.4(5) . .
C5 C6 C14 C13 3.3(6) . .
C7 C6 C14 C15 65.6(7) . .
C5 C6 C14 C15 -114.7(5) . .
C7 C6 C14 C16 -57.4(7) . .
C5 C6 C14 C16 122.3(5) . .
C12 C11 C17 O4 5.4(6) . .
C10 C11 C17 O4 -172.5(5) . .
C12 C11 C17 O3 -176.2(4) . .
C10 C11 C17 O3 5.9(7) . .
O5 C18 C19 C24 -158.3(4) . .
O6 C18 C19 C24 22.0(6) . .
O5 C18 C19 C20 15.5(6) . .
O6 C18 C19 C20 -164.2(4) . .
C24 C19 C20 C21 1.5(7) . .
C18 C19 C20 C21 -172.4(4) . .
C19 C20 C21 C22 0.8(7) . .
C20 C21 C22 C23 -2.8(7) . .
C20 C21 C22 C25 175.3(5) . .
C21 C22 C23 C24 2.4(7) . .
C25 C22 C23 C24 -176.1(4) . .
C21 C22 C23 C31 178.6(4) . .
C25 C22 C23 C31 0.1(5) . .
C20 C19 C24 C23 -1.8(7) . .
C18 C19 C24 C23 171.9(4) . .
C22 C23 C24 C19 0.0(7) . .
C31 C23 C24 C19 -175.4(5) . .
C21 C22 C25 C26 0.6(9) . .
C23 C22 C25 C26 178.9(5) . .
C21 C22 C25 C30 -178.4(5) . .
C23 C22 C25 C30 -0.1(5) . .
C30 C25 C26 C27 -1.1(7) . .
C22 C25 C26 C27 180.0(5) . .
C25 C26 C27 C28 -0.1(7) . .
C26 C27 C28 C29 1.4(7) . .
C26 C27 C28 C34 -178.5(4) . .
C27 C28 C29 C30 -1.5(7) . .
C34 C28 C29 C30 178.4(4) . .
C28 C29 C30 C25 0.2(7) . .
C28 C29 C30 C31 -179.5(5) . .
C26 C25 C30 C29 1.1(7) . .
C22 C25 C30 C29 -179.8(4) . .
C26 C25 C30 C31 -179.1(4) . .
C22 C25 C30 C31 0.0(5) . .
C29 C30 C31 C32 59.9(7) . .
C25 C30 C31 C32 -119.9(4) . .
C29 C30 C31 C23 179.8(5) . .
C25 C30 C31 C23 0.0(5) . .
C29 C30 C31 C33 -61.8(7) . .
C25 C30 C31 C33 118.4(4) . .
C24 C23 C31 C30 175.6(5) . .
C22 C23 C31 C30 -0.1(5) . .
C24 C23 C31 C32 -66.6(7) . .
C22 C23 C31 C32 117.8(5) . .
C24 C23 C31 C33 57.0(7) . .
C22 C23 C31 C33 -118.7(4) . .
C29 C28 C34 O8 7.5(7) . .
C27 C28 C34 O8 -172.7(4) . .
C29 C28 C34 O7 -169.9(4) . .
C27 C28 C34 O7 9.9(7) . .
N1 C35 C36 N2 3.6(9) . .
N2 C38 C39 C40 173.4(5) . .
C38 C39 C40 C41B -97.6(11) . .
C38 C39 C40 C41 -123.0(9) . .
C38 C39 C40 C41A -143.3(9) . .
C41B C40 C41 C41A 179(6) . .
C39 C40 C41 C41A -83(4) . .
C39 C40 C41 C41B 98(3) . .
C41A C40 C41 C41B -179(6) . .
C41B C40 C41 N3 78(3) . 1_444
C39 C40 C41 N3 175.9(11) . 1_444
C41A C40 C41 N3 -101(4) . 1_444
C41B C40 C41 N3A 99(4) . 1_444
C39 C40 C41 N3A -162.4(13) . 1_444
C41A C40 C41 N3A -80(4) . 1_444
C41B C40 C41 N3B 59(3) . 1_444
C39 C40 C41 N3B 157.5(8) . 1_444
C41A C40 C41 N3B -120(4) . 1_444
N3 C41 C41A C41B 110(21) 1_444 .
C40 C41 C41A C41B -3(19) . .
N3A C41 C41A C41B 117(20) 1_444 .
N3B C41 C41A C41B 104(21) 1_444 .
C41B C41 C41A N3A -117(20) . 1_444
N3 C41 C41A N3A -7.2(15) 1_444 1_444
C40 C41 C41A N3A -120.3(13) . 1_444
N3B C41 C41A N3A -14(3) 1_444 1_444
C41B C41 C41A N3 -110(21) . 1_444
C40 C41 C41A N3 -113.1(19) . 1_444
N3A C41 C41A N3 7.2(15) 1_444 1_444
N3B C41 C41A N3 -6.4(15) 1_444 1_444
C41B C41 C41A C40 3(19) . .
N3 C41 C41A C40 113.1(19) 1_444 .
N3A C41 C41A C40 120.3(13) 1_444 .
N3B C41 C41A C40 107(3) 1_444 .
C41B C41 C41A N3B -104(21) . 1_444
N3 C41 C41A N3B 6.4(15) 1_444 1_444
C40 C41 C41A N3B -107(3) . 1_444
N3A C41 C41A N3B 14(3) 1_444 1_444
C41B C40 C41A C41 -1(4) . .
C39 C40 C41A C41 103(3) . .
C41 C40 C41A C41B 1(4) . .
C39 C40 C41A C41B 103.6(13) . .
C41B C40 C41A N3A 66.0(17) . 1_444
C41 C40 C41A N3A 66(3) . 1_444
C39 C40 C41A N3A 169.6(12) . 1_444
C41B C40 C41A N3 54.5(14) . 1_444
C41 C40 C41A N3 55(3) . 1_444
C39 C40 C41A N3 158.1(8) . 1_444
C41B C40 C41A N3B 45.0(13) . 1_444
C41 C40 C41A N3B 46(3) . 1_444
C39 C40 C41A N3B 148.6(7) . 1_444
N3 C41 C41B C41A -111(21) 1_444 .
C40 C41 C41B C41A 3(21) . .
N3A C41 C41B C41A -113(21) 1_444 .
N3B C41 C41B C41A -111(20) 1_444 .
C41A C41 C41B C40 -3(21) . .
N3 C41 C41B C40 -114.7(10) 1_444 .
N3A C41 C41B C40 -116.2(17) 1_444 .
N3B C41 C41B C40 -114.3(14) 1_444 .
C41A C41 C41B N3B 111(20) . 1_444
N3 C41 C41B N3B -0.4(14) 1_444 1_444
C40 C41 C41B N3B 114.3(14) . 1_444
N3A C41 C41B N3B -2(2) 1_444 1_444
C41A C41 C41B N3 111(21) . 1_444
C40 C41 C41B N3 114.7(10) . 1_444
N3A C41 C41B N3 -1.5(15) 1_444 1_444
N3B C41 C41B N3 0.4(14) 1_444 1_444
C41A C41 C41B N3A 113(21) . 1_444
N3 C41 C41B N3A 1.5(15) 1_444 1_444
C40 C41 C41B N3A 116.2(17) . 1_444
N3B C41 C41B N3A 2(2) 1_444 1_444
N3A C41A C41B C41 62(20) 1_444 .
N3 C41A C41B C41 66(20) 1_444 .
C40 C41A C41B C41 -177(21) . .
N3B C41A C41B C41 69(20) 1_444 .
C41 C41A C41B C40 177(21) . .
N3A C41A C41B C40 -121.5(13) 1_444 .
N3 C41A C41B C40 -117.2(12) 1_444 .
N3B C41A C41B C40 -114.1(14) 1_444 .
C41 C41A C41B N3B -69(20) . 1_444
N3A C41A C41B N3B -7.4(12) 1_444 1_444
N3 C41A C41B N3B -3.1(9) 1_444 1_444
C40 C41A C41B N3B 114.1(14) . 1_444
C41 C41A C41B N3 -66(20) . 1_444
N3A C41A C41B N3 -4.3(10) 1_444 1_444
C40 C41A C41B N3 117.2(12) . 1_444
N3B C41A C41B N3 3.1(9) 1_444 1_444
C41 C41A C41B N3A -62(20) . 1_444
N3 C41A C41B N3A 4.3(10) 1_444 1_444
C40 C41A C41B N3A 121.5(13) . 1_444
N3B C41A C41B N3A 7.4(12) 1_444 1_444
C39 C40 C41B C41 -90(3) . .
C41A C40 C41B C41 0(3) . .
C41 C40 C41B C41A 0(3) . .
C39 C40 C41B C41A -90.7(13) . .
C41 C40 C41B N3B -90(3) . 1_444
C39 C40 C41B N3B 179.6(12) . 1_444
C41A C40 C41B N3B -89.7(18) . 1_444
C41 C40 C41B N3 -67(3) . 1_444
C39 C40 C41B N3 -157.7(12) . 1_444
C41A C40 C41B N3 -67.0(16) . 1_444
C41 C40 C41B N3A -49(3) . 1_444
C39 C40 C41B N3A -138.9(11) . 1_444
C41A C40 C41B N3A -48.2(14) . 1_444
C43B C43 C43A C44B -78(49) . .
N4 C43 C43A C44B -103.4(14) . .
C44 C43 C43A C44B 5.5(16) . .
C44A C43 C43A C44B 2(2) . .
N4 C43 C43A C43B -25(48) . .
C44 C43 C43A C43B 83(48) . .
C44A C43 C43A C43B 80(48) . .
C44B C43 C43A C43B 78(48) . .
C43B C43 C43A C44 -83(48) . .
N4 C43 C43A C44 -108.9(12) . .
C44A C43 C43A C44 -3.5(14) . .
C44B C43 C43A C44 -5.5(16) . .
C43B C43 C43A N4 25(48) . .
C44 C43 C43A N4 108.9(12) . .
C44A C43 C43A N4 105.4(17) . .
C44B C43 C43A N4 103.4(14) . .
C43B C43 C43A C44A -80(48) . .
N4 C43 C43A C44A -105.4(17) . .
C44 C43 C43A C44A 3.5(14) . .
C44B C43 C43A C44A -2(2) . .
C43A C43 C43B C44A 82(48) . .
N4 C43 C43B C44A 107.5(11) . .
C44 C43 C43B C44A -1.1(16) . .
C44B C43 C43B C44A 7(3) . .
C43A C43 C43B N4 -26(48) . .
C44 C43 C43B N4 -108.6(12) . .
C44A C43 C43B N4 -107.5(11) . .
C44B C43 C43B N4 -100(2) . .
N4 C43 C43B C43A 26(48) . .
C44 C43 C43B C43A -83(48) . .
C44A C43 C43B C43A -82(48) . .
C44B C43 C43B C43A -74(48) . .
C43A C43 C43B C44 83(48) . .
N4 C43 C43B C44 108.6(12) . .
C44A C43 C43B C44 1.1(16) . .
C44B C43 C43B C44 8.5(19) . .
C44B C43A C43B C43 102(49) . .
C44 C43A C43B C43 96(48) . .
N4 C43A C43B C43 -154(49) . .
C44A C43A C43B C43 98(49) . .
C43 C43A C43B C44A -98(48) . .
C44B C43A C43B C44A 4.3(15) . .
C44 C43A C43B C44A -2.5(12) . .
N4 C43A C43B C44A 108.0(12) . .
C43 C43A C43B N4 154(49) . .
C44B C43A C43B N4 -103.7(14) . .
C44 C43A C43B N4 -110.4(11) . .
C44A C43A C43B N4 -108.0(12) . .
C43 C43A C43B C44 -96(48) . .
C44B C43A C43B C44 6.7(13) . .
N4 C43A C43B C44 110.4(11) . .
C44A C43A C43B C44 2.5(12) . .
C43B C43 C44 C44A 2(3) . .
C43A C43 C44 C44A -173(3) . .
N4 C43 C44 C44A -83(2) . .
C44B C43 C44 C44A -165(3) . .
C43B C43 C44 C44B 167(3) . .
C43A C43 C44 C44B -8(2) . .
N4 C43 C44 C44B 83(2) . .
C44A C43 C44 C44B 165(3) . .
C43B C43 C44 N3 90(3) . .
C43A C43 C44 N3 -85(2) . .
N4 C43 C44 N3 5.2(19) . .
C44A C43 C44 N3 88(2) . .
C44B C43 C44 N3 -77.5(19) . .
C43B C43 C44 N3B 67(3) . .
C43A C43 C44 N3B -108.0(19) . .
N4 C43 C44 N3B -17.3(17) . .
C44A C43 C44 N3B 65(2) . .
C44B C43 C44 N3B -100(2) . .
C43B C43 C44 N3A 112(3) . .
C43A C43 C44 N3A -63(2) . .
N4 C43 C44 N3A 27.7(19) . .
C44A C43 C44 N3A 110(2) . .
C44B C43 C44 N3A -55.0(16) . .
C43B C43 C44 C43A 175(4) . .
N4 C43 C44 C43A 91(2) . .
C44A C43 C44 C43A 173(3) . .
C44B C43 C44 C43A 8(2) . .
C43A C43 C44 C43B -175(4) . .
N4 C43 C44 C43B -85(2) . .
C44A C43 C44 C43B -2(3) . .
C44B C43 C44 C43B -167(3) . .
C43 C43A C44 C44A 7(3) . .
C44B C43A C44 C44A -163(4) . .
C43B C43A C44 C44A 5(2) . .
N4 C43A C44 C44A -45(3) . .
C43 C43A C44 C44B 171(3) . .
C43B C43A C44 C44B 168(2) . .
N4 C43A C44 C44B 118(2) . .
C44A C43A C44 C44B 163(4) . .
C43 C43A C44 N3 102(2) . .
C44B C43A C44 N3 -68.6(19) . .
C43B C43A C44 N3 99.7(14) . .
N4 C43A C44 N3 49.5(14) . .
C44A C43A C44 N3 95(3) . .
C44B C43A C44 C43 -171(3) . .
C43B C43A C44 C43 -2.2(17) . .
N4 C43A C44 C43 -52.5(15) . .
C44A C43A C44 C43 -7(3) . .
C43 C43A C44 N3B 81(2) . .
C44B C43A C44 N3B -90(2) . .
C43B C43A C44 N3B 78.5(14) . .
N4 C43A C44 N3B 28.2(15) . .
C44A C43A C44 N3B 73(2) . .
C43 C43A C44 N3A 122.0(19) . .
C44B C43A C44 N3A -48.6(17) . .
C43B C43A C44 N3A 119.8(13) . .
N4 C43A C44 N3A 69.5(12) . .
C44A C43A C44 N3A 115(3) . .
C43 C43A C44 C43B 2.2(17) . .
C44B C43A C44 C43B -168(2) . .
N4 C43A C44 C43B -50.3(9) . .
C44A C43A C44 C43B -5(2) . .
C43 C43B C44 C44A -178(4) . .
N4 C43B C44 C44A -113(2) . .
C43A C43B C44 C44A -175(3) . .
C43 C43B C44 C44B -14(3) . .
C44A C43B C44 C44B 164(4) . .
N4 C43B C44 C44B 51(2) . .
C43A C43B C44 C44B -11(2) . .
C43 C43B C44 N3 -96(3) . .
C44A C43B C44 N3 81(2) . .
N4 C43B C44 N3 -31.8(15) . .
C43A C43B C44 N3 -93.1(15) . .
C44A C43B C44 C43 178(4) . .
N4 C43B C44 C43 64(2) . .
C43A C43B C44 C43 3(2) . .
C43 C43B C44 N3B -115(3) . .
C44A C43B C44 N3B 63(2) . .
N4 C43B C44 N3B -50.7(12) . .
C43A C43B C44 N3B -112.0(13) . .
C43 C43B C44 N3A -76(3) . .
C44A C43B C44 N3A 101(3) . .
N4 C43B C44 N3A -12.1(17) . .
C43A C43B C44 N3A -73.4(15) . .
C43 C43B C44 C43A -3(2) . .
C44A C43B C44 C43A 175(3) . .
N4 C43B C44 C43A 61.3(11) . .
C44B C44 C44A C43B -66(12) . .
N3 C44 C44A C43B -106.2(13) . .
C43 C44 C44A C43B -1.0(14) . .
N3B C44 C44A C43B -106.0(13) . .
N3A C44 C44A C43B -107.6(17) . .
C43A C44 C44A C43B -5(2) . .
C44B C44 C44A N3B 40(12) . .
N3 C44 C44A N3B -0.2(12) . .
C43 C44 C44A N3B 105.0(11) . .
N3A C44 C44A N3B -1.6(18) . .
C43A C44 C44A N3B 101.0(18) . .
C43B C44 C44A N3B 106.0(13) . .
C44B C44 C44A C43 -65(12) . .
N3 C44 C44A C43 -105.2(11) . .
N3B C44 C44A C43 -105.0(11) . .
N3A C44 C44A C43 -106.6(18) . .
C43A C44 C44A C43 -4.0(15) . .
C43B C44 C44A C43 1.0(14) . .
C44B C44 C44A N3 40(11) . .
C43 C44 C44A N3 105.2(11) . .
N3B C44 C44A N3 0.2(12) . .
N3A C44 C44A N3 -1.4(13) . .
C43A C44 C44A N3 101.3(19) . .
C43B C44 C44A N3 106.2(13) . .
N3 C44 C44A C44B -40(11) . .
C43 C44 C44A C44B 65(12) . .
N3B C44 C44A C44B -40(12) . .
N3A C44 C44A C44B -41(11) . .
C43A C44 C44A C44B 61(11) . .
C43B C44 C44A C44B 66(12) . .
C44B C44 C44A N3A 41(11) . .
N3 C44 C44A N3A 1.4(13) . .
C43 C44 C44A N3A 106.6(18) . .
N3B C44 C44A N3A 1.6(18) . .
C43A C44 C44A N3A 103(2) . .
C43B C44 C44A N3A 107.6(17) . .
C44B C44 C44A C43A -61(11) . .
N3 C44 C44A C43A -101.3(19) . .
C43 C44 C44A C43A 4.0(16) . .
N3B C44 C44A C43A -101.0(18) . .
N3A C44 C44A C43A -103(2) . .
C43B C44 C44A C43A 5(2) . .
C43 C43B C44A C44 2(3) . .
N4 C43B C44A C44 72(2) . .
C43A C43B C44A C44 5(2) . .
C43 C43B C44A N3B -83(3) . .
N4 C43B C44A N3B -13.1(19) . .
C43A C43B C44A N3B -80.1(15) . .
C44 C43B C44A N3B -85(2) . .
N4 C43B C44A C43 70(2) . .
C43A C43B C44A C43 3(2) . .
C44 C43B C44A C43 -2(3) . .
C43 C43B C44A N3 -60(3) . .
N4 C43B C44A N3 9.4(18) . .
C43A C43B C44A N3 -57.7(15) . .
C44 C43B C44A N3 -62(2) . .
C43 C43B C44A C44B -6(2) . .
N4 C43B C44A C44B 63.5(14) . .
C43A C43B C44A C44B -3.5(12) . .
C44 C43B C44A C44B -8.2(18) . .
C43 C43B C44A N3A -45(3) . .
N4 C43B C44A N3A 24.5(16) . .
C43A C43B C44A N3A -42.5(13) . .
C44 C43B C44A N3A -47.2(19) . .
C43 C43B C44A C43A -3(2) . .
N4 C43B C44A C43A 67.0(12) . .
C44 C43B C44A C43A -5(2) . .
C43B C43 C44A C44 -178(3) . .
C43A C43 C44A C44 7(3) . .
N4 C43 C44A C44 106(2) . .
C44B C43 C44A C44 9(2) . .
C43A C43 C44A C43B -175(4) . .
N4 C43 C44A C43B -77(2) . .
C44 C43 C44A C43B 178(3) . .
C44B C43 C44A C43B -173(3) . .
C43B C43 C44A N3B 103(3) . .
C43A C43 C44A N3B -72(2) . .
N4 C43 C44A N3B 26.7(17) . .
C44 C43 C44A N3B -79(2) . .
C44B C43 C44A N3B -69.9(13) . .
C43B C43 C44A N3 123(3) . .
C43A C43 C44A N3 -52(2) . .
N4 C43 C44A N3 46.5(14) . .
C44 C43 C44A N3 -59.1(19) . .
C44B C43 C44A N3 -50.1(11) . .
C43B C43 C44A C44B 173(3) . .
C43A C43 C44A C44B -2(2) . .
N4 C43 C44A C44B 96.6(13) . .
C44 C43 C44A C44B -9(2) . .
C43B C43 C44A N3A 137(2) . .
C43A C43 C44A N3A -38(2) . .
N4 C43 C44A N3A 60.1(12) . .
C44 C43 C44A N3A -45.6(19) . .
C44B C43 C44A N3A -36.5(9) . .
C43B C43 C44A C43A 175(4) . .
N4 C43 C44A C43A 98(2) . .
C44 C43 C44A C43A -7(3) . .
C44B C43 C44A C43A 2(2) . .
C43 C43A C44A C44 -171(4) . .
C44B C43A C44A C44 12(3) . .
C43B C43A C44A C44 -173(3) . .
N4 C43A C44A C44 133(3) . .
C43 C43A C44A C43B 3(2) . .
C44B C43A C44A C43B -174.8(19) . .
C44 C43A C44A C43B 173(3) . .
N4 C43A C44A C43B -53.3(11) . .
C43 C43A C44A N3B 111(2) . .
C44B C43A C44A N3B -66.3(14) . .
C43B C43A C44A N3B 108.5(15) . .
C44 C43A C44A N3B -78(3) . .
N4 C43A C44A N3B 55.2(11) . .
C44B C43A C44A C43 -178(3) . .
C43B C43A C44A C43 -3(2) . .
C44 C43A C44A C43 171(4) . .
N4 C43A C44A C43 -56.1(19) . .
C43 C43A C44A N3 127(2) . .
C44B C43A C44A N3 -50.9(13) . .
C43B C43A C44A N3 123.9(15) . .
C44 C43A C44A N3 -63(2) . .
N4 C43A C44A N3 70.5(9) . .
C43 C43A C44A C44B 178(3) . .
C43B C43A C44A C44B 174.8(19) . .
C44 C43A C44A C44B -12(3) . .
N4 C43A C44A C44B 121.4(15) . .
C43 C43A C44A N3A 139(2) . .
C44B C43A C44A N3A -39.0(12) . .
C43B C43A C44A N3A 135.7(14) . .
C44 C43A C44A N3A -51(2) . .
N4 C43A C44A N3A 82.4(9) . .
C44A C44 C44B N3A -47(12) . .
N3 C44 C44B N3A -6.2(12) . .
C43 C44 C44B N3A -111.7(13) . .
N3B C44 C44B N3A -10.4(15) . .
C43A C44 C44B N3A -116.7(16) . .
C43B C44 C44B N3A -106.3(16) . .
C44A C44 C44B C43A 70(12) . .
N3 C44 C44B C43A 110.5(13) . .
C43 C44 C44B C43A 5.0(14) . .
N3B C44 C44B C43A 106.3(14) . .
N3A C44 C44B C43A 116.7(16) . .
C43B C44 C44B C43A 10.3(19) . .
C44A C44 C44B N3 -41(12) . .
C43 C44 C44B N3 -105.5(11) . .
N3B C44 C44B N3 -4.2(11) . .
N3A C44 C44B N3 6.2(12) . .
C43A C44 C44B N3 -110.5(13) . .
C43B C44 C44B N3 -100.2(15) . .
N3 C44 C44B C44A 41(12) . .
C43 C44 C44B C44A -65(12) . .
N3B C44 C44B C44A 37(11) . .
N3A C44 C44B C44A 47(12) . .
C43A C44 C44B C44A -70(12) . .
C43B C44 C44B C44A -59(11) . .
C44A C44 C44B C43 65(12) . .
N3 C44 C44B C43 105.5(11) . .
N3B C44 C44B C43 101.3(14) . .
N3A C44 C44B C43 111.7(13) . .
C43A C44 C44B C43 -5.0(15) . .
C43B C44 C44B C43 5.3(12) . .
C44A C44 C44B N3B -37(11) . .
N3 C44 C44B N3B 4.2(11) . .
C43 C44 C44B N3B -101.3(14) . .
N3A C44 C44B N3B 10.4(15) . .
C43A C44 C44B N3B -106.3(14) . .
C43B C44 C44B N3B -95.9(17) . .
C43 C43A C44B C44 -9(2) . .
C43B C43A C44B C44 -10(2) . .
N4 C43A C44B C44 -66(2) . .
C44A C43A C44B C44 -6.8(15) . .
C43 C43A C44B N3A 77(3) . .
C43B C43A C44B N3A 75(2) . .
C44 C43A C44B N3A 85(2) . .
N4 C43A C44B N3A 19(2) . .
C44A C43A C44B N3A 78.6(18) . .
C43 C43A C44B N3 55(2) . .
C43B C43A C44B N3 53.0(17) . .
C44 C43A C44B N3 63.4(17) . .
N4 C43A C44B N3 -3.0(19) . .
C44A C43A C44B N3 56.7(12) . .
C43 C43A C44B C44A -2(2) . .
C43B C43A C44B C44A -3.7(13) . .
C44 C43A C44B C44A 6.8(15) . .
N4 C43A C44B C44A -59.7(13) . .
C43B C43A C44B C43 -2.0(15) . .
C44 C43A C44B C43 9(2) . .
N4 C43A C44B C43 -58.0(17) . .
C44A C43A C44B C43 2(2) . .
C43 C43A C44B N3B 42(2) . .
C43B C43A C44B N3B 40.1(14) . .
C44 C43A C44B N3B 50.6(15) . .
N4 C43A C44B N3B -15.9(16) . .
C44A C43A C44B N3B 43.8(9) . .
C43B C44A C44B C44 114(12) . .
N3B C44A C44B C44 -139(12) . .
C43 C44A C44B C44 111(12) . .
N3 C44A C44B C44 -137(12) . .
N3A C44A C44B C44 -132(12) . .
C43A C44A C44B C44 110(12) . .
C44 C44A C44B N3A 132(12) . .
C43B C44A C44B N3A -113.8(14) . .
N3B C44A C44B N3A -7.0(11) . .
C43 C44A C44B N3A -116.6(14) . .
N3 C44A C44B N3A -4.2(11) . .
C43A C44A C44B N3A -117.7(16) . .
C44 C44A C44B C43A -110(12) . .
C43B C44A C44B C43A 3.9(14) . .
N3B C44A C44B C43A 110.6(14) . .
C43 C44A C44B C43A 1.1(12) . .
N3 C44A C44B C43A 113.5(14) . .
N3A C44A C44B C43A 117.7(16) . .
C44 C44A C44B N3 137(12) . .
C43B C44A C44B N3 -109.6(13) . .
N3B C44A C44B N3 -2.8(10) . .
C43 C44A C44B N3 -112.4(12) . .
N3A C44A C44B N3 4.2(11) . .
C43A C44A C44B N3 -113.5(14) . .
C44 C44A C44B C43 -111(12) . .
C43B C44A C44B C43 2.8(11) . .
N3B C44A C44B C43 109.6(12) . .
N3 C44A C44B C43 112.4(12) . .
N3A C44A C44B C43 116.6(14) . .
C43A C44A C44B C43 -1.1(12) . .
C44 C44A C44B N3B 139(12) . .
C43B C44A C44B N3B -106.8(13) . .
C43 C44A C44B N3B -109.6(12) . .
N3 C44A C44B N3B 2.8(10) . .
N3A C44A C44B N3B 7.0(11) . .
C43A C44A C44B N3B -110.6(14) . .
C43B C43 C44B C44 -16(4) . .
C43A C43 C44B C44 170(3) . .
N4 C43 C44B C44 -106.5(19) . .
C44A C43 C44B C44 -8.0(17) . .
C43B C43 C44B N3A 60(4) . .
C43A C43 C44B N3A -115(2) . .
N4 C43 C44B N3A -30.9(18) . .
C44 C43 C44B N3A 76(2) . .
C44A C43 C44B N3A 67.6(15) . .
C43B C43 C44B C43A 174(4) . .
N4 C43 C44B C43A 84(2) . .
C44 C43 C44B C43A -170(3) . .
C44A C43 C44B C43A -178(2) . .
C43B C43 C44B N3 46(3) . .
C43A C43 C44B N3 -129(2) . .
N4 C43 C44B N3 -45.0(13) . .
C44 C43 C44B N3 61.5(17) . .
C44A C43 C44B N3 53.5(11) . .
C43B C43 C44B C44A -8(3) . .
C43A C43 C44B C44A 178(2) . .
N4 C43 C44B C44A -98.5(13) . .
C44 C43 C44B C44A 8.0(17) . .
C43B C43 C44B N3B 37(3) . .
C43A C43 C44B N3B -138(2) . .
N4 C43 C44B N3B -54.2(10) . .
C44 C43 C44B N3B 52.3(16) . .
C44A C43 C44B N3B 44.3(9) . .
N5 C45 C46 N6 0.0(9) . .
C49' C48 C48' C49 32(4) . .
N6 C48 C48' C49 140(3) . .
C49 C48 C48' N6 -140(3) . .
C49' C48 C48' N6 -108.7(11) . .
C49 C48 C48' C49' -32(4) . .
N6 C48 C48' C49' 108.7(11) . .
N6 C48' C49 C48 114(5) . .
C49' C48' C49 C48 34(4) . .
C48 C48' C49 C49' -34(4) . .
N6 C48' C49 C49' 81(2) . .
C48 C48' C49 C49' 47(5) . 2_757
N6 C48' C49 C49' 160.9(15) . 2_757
C49' C48' C49 C49' 80.2(18) . 2_757
C49' C48 C49 C48' -142(5) . .
N6 C48 C49 C48' -40(4) . .
C48' C48 C49 C49' 142(5) . .
N6 C48 C49 C49' 102.3(13) . .
C48' C48 C49 C49' -140(4) . 2_757
C49' C48 C49 C49' 77.5(14) . 2_757
N6 C48 C49 C49' 179.8(11) . 2_757
C48' C49 C49' C48 11.8(14) . .
C49' C49 C49' C48 -113.0(13) 2_757 .
C48' C49 C49' C49 124.8(16) . 2_757
C48 C49 C49' C49 113.0(13) . 2_757
C49' C49 C49' C49 0.000(2) 2_757 2_757
C48 C49 C49' C48' -11.8(14) . .
C49' C49 C49' C48' -124.8(16) 2_757 .
C48' C48 C49' C49 -25(3) . .
N6 C48 C49' C49 -99.5(13) . .
C48' C48 C49' C49 -103(3) . 2_757
C49 C48 C49' C49 -78.8(14) . 2_757
N6 C48 C49' C49 -178.3(11) . 2_757
C49 C48 C49' C48' 25(3) . .
N6 C48 C49' C48' -75(3) . .
C48 C48' C49' C49 148(4) . .
N6 C48' C49' C49 -134.4(17) . .
C49 C48' C49' C48 -148(4) . .
N6 C48' C49' C48 78(3) . .
C48 C48' C49' C49 84(3) . 2_757
C49 C48' C49' C49 -63.5(17) . 2_757
N6 C48' C49' C49 162.1(11) . 2_757
N2 C37 N1 C35 -0.3(6) . .
N2 C37 N1 Ni2 -178.9(3) . .
C36 C35 N1 C37 -2.1(8) . .
C36 C35 N1 Ni2 176.6(5) . .
N1 C37 N2 C36 2.4(7) . .
N1 C37 N2 C38 174.2(5) . .
C35 C36 N2 C37 -3.6(8) . .
C35 C36 N2 C38 -174.9(7) . .
C39 C38 N2 C37 -165.8(6) . .
C39 C38 N2 C36 4.1(11) . .
N3B C42 N3 N3A 173(4) . .
N4 C42 N3 N3A -93(3) . .
N4 C42 N3 N3B 94(2) . .
N3A C42 N3 N3B -173(4) . .
N3B C42 N3 C44 -87(2) . .
N4 C42 N3 C44 6.6(16) . .
N3A C42 N3 C44 99(3) . .
N3B C42 N3 C44B -125(3) . .
N4 C42 N3 C44B -31.4(15) . .
N3A C42 N3 C44B 61(3) . .
N3B C42 N3 C41 85(2) . 1_666
N4 C42 N3 C41 178.8(13) . 1_666
N3A C42 N3 C41 -88(3) . 1_666
N3B C42 N3 C44A -60(2) . .
N4 C42 N3 C44A 33.8(13) . .
N3A C42 N3 C44A 127(3) . .
N3B C42 N3 C41B 61(2) . 1_666
N4 C42 N3 C41B 154.9(11) . 1_666
N3A C42 N3 C41B -112(3) . 1_666
N3B C42 N3 C41A 107(3) . 1_666
N4 C42 N3 C41A -158.6(15) . 1_666
N3A C42 N3 C41A -66(3) . 1_666
C44A C44 N3 N3A -176(3) . .
C44B C44 N3 N3A 14(3) . .
C43 C44 N3 N3A 100(3) . .
N3B C44 N3 N3A -177(4) . .
C43A C44 N3 N3A 68(3) . .
C43B C44 N3 N3A 124(3) . .
C44A C44 N3 N3B 1(3) . .
C44B C44 N3 N3B -169(3) . .
C43 C44 N3 N3B -83(3) . .
N3A C44 N3 N3B 177(4) . .
C43A C44 N3 N3B -115(2) . .
C43B C44 N3 N3B -59(2) . .
C44A C44 N3 C42 76(2) . .
C44B C44 N3 C42 -93.3(19) . .
C43 C44 N3 C42 -7.0(19) . .
N3B C44 N3 C42 76(2) . .
N3A C44 N3 C42 -107(3) . .
C43A C44 N3 C42 -39.7(17) . .
C43B C44 N3 C42 17.0(17) . .
C44A C44 N3 C44B 169(3) . .
C43 C44 N3 C44B 86(2) . .
N3B C44 N3 C44B 169(3) . .
N3A C44 N3 C44B -14(3) . .
C43A C44 N3 C44B 53.6(17) . .
C43B C44 N3 C44B 110(2) . .
C44A C44 N3 C41 -96(3) . 1_666
C44B C44 N3 C41 95(2) . 1_666
C43 C44 N3 C41 -178.7(17) . 1_666
N3B C44 N3 C41 -96(3) . 1_666
N3A C44 N3 C41 81(3) . 1_666
C43A C44 N3 C41 148.6(18) . 1_666
C43B C44 N3 C41 -154.7(17) . 1_666
C44B C44 N3 C44A -169(3) . .
C43 C44 N3 C44A -83(2) . .
N3B C44 N3 C44A -1(3) . .
N3A C44 N3 C44A 176(3) . .
C43A C44 N3 C44A -116(3) . .
C43B C44 N3 C44A -59(2) . .
C44A C44 N3 C41B -67(3) . 1_666
C44B C44 N3 C41B 123(2) . 1_666
C43 C44 N3 C41B -150.2(17) . 1_666
N3B C44 N3 C41B -68(2) . 1_666
N3A C44 N3 C41B 109(3) . 1_666
C43A C44 N3 C41B 177.1(17) . 1_666
C43B C44 N3 C41B -126.2(17) . 1_666
C44A C44 N3 C41A -117(2) . 1_666
C44B C44 N3 C41A 74(2) . 1_666
C43 C44 N3 C41A 160.3(15) . 1_666
N3B C44 N3 C41A -117(3) . 1_666
N3A C44 N3 C41A 60(2) . 1_666
C43A C44 N3 C41A 127.6(16) . 1_666
C43B C44 N3 C41A -175.7(14) . 1_666
C44 C44B N3 N3A -164(3) . .
C43A C44B N3 N3A 118(3) . .
C44A C44B N3 N3A -169(3) . .
C43 C44B N3 N3A 142(3) . .
N3B C44B N3 N3A -178(5) . .
C44 C44B N3 N3B 14(3) . .
N3A C44B N3 N3B 178(5) . .
C43A C44B N3 N3B -64(4) . .
C44A C44B N3 N3B 9(3) . .
C43 C44B N3 N3B -41(3) . .
C44 C44B N3 C42 98.3(19) . .
N3A C44B N3 C42 -98(3) . .
C43A C44B N3 C42 20(2) . .
C44A C44B N3 C42 92.9(13) . .
C43 C44B N3 C42 43.8(14) . .
N3B C44B N3 C42 84(3) . .
N3A C44B N3 C44 164(3) . .
C43A C44B N3 C44 -79(2) . .
C44A C44B N3 C44 -5.4(17) . .
C43 C44B N3 C44 -54.5(15) . .
N3B C44B N3 C44 -14(4) . .
C44 C44B N3 C41 -112(2) . 1_666
N3A C44B N3 C41 52(3) . 1_666
C43A C44B N3 C41 169.8(16) . 1_666
C44A C44B N3 C41 -117.1(16) . 1_666
C43 C44B N3 C41 -166.2(14) . 1_666
N3B C44B N3 C41 -126(4) . 1_666
C44 C44B N3 C44A 5.4(17) . .
N3A C44B N3 C44A 169(3) . .
C43A C44B N3 C44A -73.1(16) . .
C43 C44B N3 C44A -49.1(10) . .
N3B C44B N3 C44A -9(3) . .
C44 C44B N3 C41B -90(3) . 1_666
N3A C44B N3 C41B 73(3) . 1_666
C43A C44B N3 C41B -169(2) . 1_666
C44A C44B N3 C41B -96(2) . 1_666
C43 C44B N3 C41B -145(2) . 1_666
N3B C44B N3 C41B -104(4) . 1_666
C44 C44B N3 C41A -119.7(18) . 1_666
N3A C44B N3 C41A 44(3) . 1_666
C43A C44B N3 C41A 161.8(15) . 1_666
C44A C44B N3 C41A -125.1(13) . 1_666
C43 C44B N3 C41A -174.2(12) . 1_666
N3B C44B N3 C41A -134(4) . 1_666
C44 C44A N3 N3A 4(4) . .
C43B C44A N3 N3A 89(3) . .
N3B C44A N3 N3A -176(5) . .
C43 C44A N3 N3A 68(3) . .
C44B C44A N3 N3A 11(3) . .
C43A C44A N3 N3A 49(3) . .
C44 C44A N3 N3B -179(3) . .
C43B C44A N3 N3B -94(3) . .
C43 C44A N3 N3B -116(2) . .
C44B C44A N3 N3B -172(3) . .
N3A C44A N3 N3B 176(5) . .
C43A C44A N3 N3B -134(2) . .
C44 C44A N3 C42 -111(2) . .
C43B C44A N3 C42 -25.6(17) . .
N3B C44A N3 C42 69(2) . .
C43 C44A N3 C42 -47.0(13) . .
C44B C44A N3 C42 -103.6(12) . .
N3A C44A N3 C42 -115(3) . .
C43A C44A N3 C42 -65.3(10) . .
C43B C44A N3 C44 85(2) . .
N3B C44A N3 C44 179(3) . .
C43 C44A N3 C44 64(2) . .
C44B C44A N3 C44 7(2) . .
N3A C44A N3 C44 -4(4) . .
C43A C44A N3 C44 45(2) . .
C44 C44A N3 C44B -7(2) . .
C43B C44A N3 C44B 78.0(15) . .
N3B C44A N3 C44B 172(3) . .
C43 C44A N3 C44B 56.6(12) . .
N3A C44A N3 C44B -11(3) . .
C43A C44A N3 C44B 38.4(10) . .
C44 C44A N3 C41 106(2) . 1_666
C43B C44A N3 C41 -169.3(16) . 1_666
N3B C44A N3 C41 -75(2) . 1_666
C43 C44A N3 C41 169.2(16) . 1_666
C44B C44A N3 C41 112.6(18) . 1_666
N3A C44A N3 C41 102(4) . 1_666
C43A C44A N3 C41 151.0(16) . 1_666
C44 C44A N3 C41B 127(2) . 1_666
C43B C44A N3 C41B -147.8(15) . 1_666
N3B C44A N3 C41B -53(2) . 1_666
C43 C44A N3 C41B -169.3(14) . 1_666
C44B C44A N3 C41B 134.1(15) . 1_666
N3A C44A N3 C41B 123(4) . 1_666
C43A C44A N3 C41B 172.5(13) . 1_666
C44 C44A N3 C41A 81(3) . 1_666
C43B C44A N3 C41A 166.1(16) . 1_666
N3B C44A N3 C41A -99(3) . 1_666
C43 C44A N3 C41A 144.7(16) . 1_666
C44B C44A N3 C41A 88.1(18) . 1_666
N3A C44A N3 C41A 77(3) . 1_666
C43A C44A N3 C41A 126.4(16) . 1_666
C42 N3 N3A N3B -96(36) . .
C44 N3 N3A N3B 154(36) . .
C44B N3 N3A N3B 163(35) . .
C41 N3 N3A N3B 26(36) 1_666 .
C44A N3 N3A N3B 152(38) . .
C41B N3 N3A N3B 24(35) 1_666 .
C41A N3 N3A N3B 33(37) 1_666 .
N3B N3 N3A C44B -163(35) . .
C42 N3 N3A C44B 100.3(16) . .
C44 N3 N3A C44B -9.7(19) . .
C41 N3 N3A C44B -137.8(16) 1_666 .
C44A N3 N3A C44B -12(3) . .
C41B N3 N3A C44B -139.3(14) 1_666 .
C41A N3 N3A C44B -130(2) 1_666 .
N3B N3 N3A C41A -33(37) . 1_666
C42 N3 N3A C41A -129.3(13) . 1_666
C44 N3 N3A C41A 120.8(14) . 1_666
C44B N3 N3A C41A 130(2) . 1_666
C41 N3 N3A C41A -7.3(15) 1_666 1_666
C44A N3 N3A C41A 119(2) . 1_666
C41B N3 N3A C41A -9(2) 1_666 1_666
N3B N3 N3A C41 -26(36) . 1_666
C42 N3 N3A C41 -122.0(14) . 1_666
C44 N3 N3A C41 128.1(12) . 1_666
C44B N3 N3A C41 137.8(16) . 1_666
C44A N3 N3A C41 126(2) . 1_666
C41B N3 N3A C41 -1.5(15) 1_666 1_666
C41A N3 N3A C41 7.3(15) 1_666 1_666
N3B N3 N3A C44 -154(36) . .
C42 N3 N3A C44 109.9(16) . .
C44B N3 N3A C44 9.7(19) . .
C41 N3 N3A C44 -128.1(12) 1_666 .
C44A N3 N3A C44 -1.9(18) . .
C41B N3 N3A C44 -129.6(17) 1_666 .
C41A N3 N3A C44 -120.8(14) 1_666 .
N3B N3 N3A C42 96(36) . .
C44 N3 N3A C42 -109.9(16) . .
C44B N3 N3A C42 -100.3(16) . .
C41 N3 N3A C42 122.0(14) 1_666 .
C44A N3 N3A C42 -112(3) . .
C41B N3 N3A C42 120.5(19) 1_666 .
C41A N3 N3A C42 129.3(13) 1_666 .
N3B N3 N3A C41B -24(35) . 1_666
C42 N3 N3A C41B -120.5(19) . 1_666
C44 N3 N3A C41B 129.6(17) . 1_666
C44B N3 N3A C41B 139.3(14) . 1_666
C41 N3 N3A C41B 1.5(15) 1_666 1_666
C44A N3 N3A C41B 128(3) . 1_666
C41A N3 N3A C41B 9(2) 1_666 1_666
N3B N3 N3A C44A -152(38) . .
C42 N3 N3A C44A 112(3) . .
C44 N3 N3A C44A 1.9(18) . .
C44B N3 N3A C44A 12(3) . .
C41 N3 N3A C44A -126(2) 1_666 .
C41B N3 N3A C44A -128(3) 1_666 .
C41A N3 N3A C44A -119(2) 1_666 .
C44 C44B N3A N3 15(3) . .
C43A C44B N3A N3 -70(3) . .
C44A C44B N3A N3 10(3) . .
C43 C44B N3A N3 -40(3) . .
N3B C44B N3A N3 1(2) . .
C44 C44B N3A N3B 14(2) . .
C43A C44B N3A N3B -71(2) . .
N3 C44B N3A N3B -1(2) . .
C44A C44B N3A N3B 8.7(13) . .
C43 C44B N3A N3B -41.0(17) . .
C44 C44B N3A C41A -93(3) . 1_666
C43A C44B N3A C41A -178.6(19) . 1_666
N3 C44B N3A C41A -108(3) . 1_666
C44A C44B N3A C41A -99(2) . 1_666
C43 C44B N3A C41A -148.3(18) . 1_666
N3B C44B N3A C41A -107(2) . 1_666
C44 C44B N3A C41 -67(3) . 1_666
C43A C44B N3A C41 -152(2) . 1_666
N3 C44B N3A C41 -82(3) . 1_666
C44A C44B N3A C41 -72(3) . 1_666
C43 C44B N3A C41 -122(2) . 1_666
N3B C44B N3A C41 -81(3) . 1_666
C43A C44B N3A C44 -85(2) . .
N3 C44B N3A C44 -15(3) . .
C44A C44B N3A C44 -5.3(15) . .
C43 C44B N3A C44 -55.0(16) . .
N3B C44B N3A C44 -14(2) . .
C44 C44B N3A C42 70.4(19) . .
C43A C44B N3A C42 -15(2) . .
N3 C44B N3A C42 55(2) . .
C44A C44B N3A C42 65.1(12) . .
C43 C44B N3A C42 15.4(17) . .
N3B C44B N3A C42 56.4(11) . .
C44 C44B N3A C41B -40(3) . 1_666
C43A C44B N3A C41B -125(2) . 1_666
N3 C44B N3A C41B -55(3) . 1_666
C44A C44B N3A C41B -45(2) . 1_666
C43 C44B N3A C41B -95(2) . 1_666
N3B C44B N3A C41B -53.5(19) . 1_666
C44 C44B N3A C44A 5.3(15) . .
C43A C44B N3A C44A -80.0(19) . .
N3 C44B N3A C44A -10(3) . .
C43 C44B N3A C44A -49.7(11) . .
N3B C44B N3A C44A -8.7(13) . .
C44A C44 N3A N3 4(3) . .
C44B C44 N3A N3 -164(3) . .
C43 C44 N3A N3 -86(3) . .
N3B C44 N3A N3 2(2) . .
C43A C44 N3A N3 -114(3) . .
C43B C44 N3A N3 -62(3) . .
C44A C44 N3A N3B 2(2) . .
C44B C44 N3A N3B -165(2) . .
N3 C44 N3A N3B -2(2) . .
C43 C44 N3A N3B -87.7(15) . .
C43A C44 N3A N3B -116.1(13) . .
C43B C44 N3A N3B -63.9(15) . .
C44A C44 N3A C44B 167(4) . .
N3 C44 N3A C44B 164(3) . .
C43 C44 N3A C44B 77(2) . .
N3B C44 N3A C44B 165(2) . .
C43A C44 N3A C44B 49.1(17) . .
C43B C44 N3A C44B 101(2) . .
C44A C44 N3A C41A -81(3) . 1_666
C44B C44 N3A C41A 112(2) . 1_666
N3 C44 N3A C41A -84(3) . 1_666
C43 C44 N3A C41A -170.5(16) . 1_666
N3B C44 N3A C41A -82.8(18) . 1_666
C43A C44 N3A C41A 161.2(17) . 1_666
C43B C44 N3A C41A -146.7(17) . 1_666
C44A C44 N3A C41 -56(3) . 1_666
C44B C44 N3A C41 137(2) . 1_666
N3 C44 N3A C41 -60(2) . 1_666
C43 C44 N3A C41 -145.8(16) . 1_666
N3B C44 N3A C41 -58.1(15) . 1_666
C43A C44 N3A C41 -174.2(15) . 1_666
C43B C44 N3A C41 -122.0(16) . 1_666
C44A C44 N3A C42 54(3) . .
C44B C44 N3A C42 -113.7(19) . .
N3 C44 N3A C42 50(2) . .
C43 C44 N3A C42 -36.2(15) . .
N3B C44 N3A C42 51.5(9) . .
C43A C44 N3A C42 -64.5(12) . .
C43B C44 N3A C42 -12.4(16) . .
C44A C44 N3A C41B -40(3) . 1_666
C44B C44 N3A C41B 153(2) . 1_666
N3 C44 N3A C41B -44(2) . 1_666
C43 C44 N3A C41B -129.7(14) . 1_666
N3B C44 N3A C41B -42.0(11) . 1_666
C43A C44 N3A C41B -158.1(13) . 1_666
C43B C44 N3A C41B -105.9(15) . 1_666
C44B C44 N3A C44A -167(4) . .
N3 C44 N3A C44A -4(4) . .
C43 C44 N3A C44A -90(3) . .
N3B C44 N3A C44A -2(2) . .
C43A C44 N3A C44A -118(3) . .
C43B C44 N3A C44A -66(2) . .
N3B C42 N3A N3 -4(3) . .
N4 C42 N3A N3 95(3) . .
N3 C42 N3A N3B 4(3) . .
N4 C42 N3A N3B 99.4(10) . .
N3B C42 N3A C44B -95.5(16) . .
N3 C42 N3A C44B -91(3) . .
N4 C42 N3A C44B 3.9(16) . .
N3B C42 N3A C41A 68.4(17) . 1_666
N3 C42 N3A C41A 72(3) . 1_666
N4 C42 N3A C41A 167.8(15) . 1_666
N3B C42 N3A C41 56.4(13) . 1_666
N3 C42 N3A C41 60(2) . 1_666
N4 C42 N3A C41 155.8(10) . 1_666
N3B C42 N3A C44 -62.0(12) . .
N3 C42 N3A C44 -58(2) . .
N4 C42 N3A C44 37.4(12) . .
N3B C42 N3A C41B 44.0(11) . 1_666
N3 C42 N3A C41B 48(2) . 1_666
N4 C42 N3A C41B 143.4(8) . 1_666
N3B C42 N3A C44A -45.2(10) . .
N3 C42 N3A C44A -41(2) . .
N4 C42 N3A C44A 54.2(9) . .
C44 C44A N3A N3 -175(5) . .
C43B C44A N3A N3 -95(3) . .
N3B C44A N3A N3 2(3) . .
C43 C44A N3A N3 -112(3) . .
C44B C44A N3A N3 -166(4) . .
C43A C44A N3A N3 -127(3) . .
C44 C44A N3A N3B -177(3) . .
C43B C44A N3A N3B -97.1(16) . .
C43 C44A N3A N3B -114.5(15) . .
N3 C44A N3A N3B -2(3) . .
C44B C44A N3A N3B -168.4(18) . .
C43A C44A N3A N3B -129.5(14) . .
C44 C44A N3A C44B -9(3) . .
C43B C44A N3A C44B 71.2(16) . .
N3B C44A N3A C44B 168.4(18) . .
C43 C44A N3A C44B 53.9(13) . .
N3 C44A N3A C44B 166(4) . .
C43A C44A N3A C44B 38.9(12) . .
C44 C44A N3A C41A 110(3) . 1_666
C43B C44A N3A C41A -169.4(16) . 1_666
N3B C44A N3A C41A -72.3(17) . 1_666
C43 C44A N3A C41A 173.2(15) . 1_666
N3 C44A N3A C41A -74(3) . 1_666
C44B C44A N3A C41A 119.3(19) . 1_666
C43A C44A N3A C41A 158.2(16) . 1_666
C44 C44A N3A C41 130(3) . 1_666
C43B C44A N3A C41 -149.5(15) . 1_666
N3B C44A N3A C41 -52.4(14) . 1_666
C43 C44A N3A C41 -166.9(13) . 1_666
N3 C44A N3A C41 -55(3) . 1_666
C44B C44A N3A C41 139.2(17) . 1_666
C43A C44A N3A C41 178.1(14) . 1_666
C43B C44A N3A C44 80(3) . .
N3B C44A N3A C44 177(3) . .
C43 C44A N3A C44 63(2) . .
N3 C44A N3A C44 175(5) . .
C44B C44A N3A C44 9(3) . .
C43A C44A N3A C44 48(2) . .
C44 C44A N3A C42 -125(3) . .
C43B C44A N3A C42 -44.4(13) . .
N3B C44A N3A C42 52.7(11) . .
C43 C44A N3A C42 -61.7(10) . .
N3 C44A N3A C42 51(3) . .
C44B C44A N3A C42 -115.6(14) . .
C43A C44A N3A C42 -76.7(8) . .
C44 C44A N3A C41B 142(3) . 1_666
C43B C44A N3A C41B -137.9(14) . 1_666
N3B C44A N3A C41B -40.8(12) . 1_666
C43 C44A N3A C41B -155.2(12) . 1_666
N3 C44A N3A C41B -43(3) . 1_666
C44B C44A N3A C41B 150.9(15) . 1_666
C43A C44A N3A C41B -170.2(11) . 1_666
C42 N3 N3B N3A 98(36) . .
C44 N3 N3B N3A -154(36) . .
C44B N3 N3B N3A -162(38) . .
C41 N3 N3B N3A -25(35) 1_666 .
C44A N3 N3B N3A -153(35) . .
C41B N3 N3B N3A -25(36) 1_666 .
C41A N3 N3B N3A -31(35) 1_666 .
N3A N3 N3B C42 -98(36) . .
C44 N3 N3B C42 108.1(9) . .
C44B N3 N3B C42 100(2) . .
C41 N3 N3B C42 -123.4(9) 1_666 .
C44A N3 N3B C42 108.4(11) . .
C41B N3 N3B C42 -123.0(10) 1_666 .
C41A N3 N3B C42 -129.4(15) 1_666 .
N3A N3 N3B C44A 153(35) . .
C42 N3 N3B C44A -108.4(11) . .
C44 N3 N3B C44A -0.3(15) . .
C44B N3 N3B C44A -9(3) . .
C41 N3 N3B C44A 128.2(12) 1_666 .
C41B N3 N3B C44A 128.6(14) 1_666 .
C41A N3 N3B C44A 122.2(15) 1_666 .
N3A N3 N3B C44 154(36) . .
C42 N3 N3B C44 -108.1(9) . .
C44B N3 N3B C44 -8(2) . .
C41 N3 N3B C44 128.5(13) 1_666 .
C44A N3 N3B C44 0.3(15) . .
C41B N3 N3B C44 128.9(11) 1_666 .
C41A N3 N3B C44 122.5(19) 1_666 .
N3A N3 N3B C41B 25(36) . 1_666
C42 N3 N3B C41B 123.0(10) . 1_666
C44 N3 N3B C41B -128.9(11) . 1_666
C44B N3 N3B C41B -137(2) . 1_666
C41 N3 N3B C41B -0.4(15) 1_666 1_666
C44A N3 N3B C41B -128.6(14) . 1_666
C41A N3 N3B C41B -6.4(18) 1_666 1_666
N3A N3 N3B C41 25(35) . 1_666
C42 N3 N3B C41 123.4(10) . 1_666
C44 N3 N3B C41 -128.5(13) . 1_666
C44B N3 N3B C41 -137(3) . 1_666
C44A N3 N3B C41 -128.2(12) . 1_666
C41B N3 N3B C41 0.4(15) 1_666 1_666
C41A N3 N3B C41 -6.0(14) 1_666 1_666
N3A N3 N3B C44B 162(38) . .
C42 N3 N3B C44B -100(2) . .
C44 N3 N3B C44B 8(2) . .
C41 N3 N3B C44B 137(3) 1_666 .
C44A N3 N3B C44B 9(3) . .
C41B N3 N3B C44B 137(2) 1_666 .
C41A N3 N3B C44B 131(3) 1_666 .
N3A N3 N3B C41A 31(35) . 1_666
C42 N3 N3B C41A 129.4(15) . 1_666
C44 N3 N3B C41A -122.5(19) . 1_666
C44B N3 N3B C41A -131(3) . 1_666
C41 N3 N3B C41A 6.0(14) 1_666 1_666
C44A N3 N3B C41A -122.2(15) . 1_666
C41B N3 N3B C41A 6.4(18) 1_666 1_666
C44B N3A N3B N3 17(35) . .
C41A N3A N3B N3 147(36) 1_666 .
C41 N3A N3B N3 154(36) 1_666 .
C44 N3A N3B N3 26(36) . .
C42 N3A N3B N3 -81(36) . .
C41B N3A N3B N3 155(36) 1_666 .
C44A N3A N3B N3 27(36) . .
N3 N3A N3B C42 81(36) . .
C44B N3A N3B C42 98.1(13) . .
C41A N3A N3B C42 -131.4(13) 1_666 .
C41 N3A N3B C42 -124.7(11) 1_666 .
C44 N3A N3B C42 106.9(10) . .
C41B N3A N3B C42 -123.7(11) 1_666 .
C44A N3A N3B C42 108.0(11) . .
N3 N3A N3B C44A -27(36) . .
C44B N3A N3B C44A -9.9(15) . .
C41A N3A N3B C44A 120.6(14) 1_666 .
C41 N3A N3B C44A 127.4(13) 1_666 .
C44 N3A N3B C44A -1.0(12) . .
C42 N3A N3B C44A -108.0(11) . .
C41B N3A N3B C44A 128.4(13) 1_666 .
N3 N3A N3B C44 -26(36) . .
C44B N3A N3B C44 -8.8(13) . .
C41A N3A N3B C44 121.7(14) 1_666 .
C41 N3A N3B C44 128.4(13) 1_666 .
C42 N3A N3B C44 -106.9(10) . .
C41B N3A N3B C44 129.4(13) 1_666 .
C44A N3A N3B C44 1.0(12) . .
N3 N3A N3B C41B -155(36) . 1_666
C44B N3A N3B C41B -138.2(15) . 1_666
C41A N3A N3B C41B -7.7(12) 1_666 1_666
C41 N3A N3B C41B -1.0(13) 1_666 1_666
C44 N3A N3B C41B -129.4(13) . 1_666
C42 N3A N3B C41B 123.7(11) . 1_666
C44A N3A N3B C41B -128.4(14) . 1_666
N3 N3A N3B C41 -154(36) . 1_666
C44B N3A N3B C41 -137.2(16) . 1_666
C41A N3A N3B C41 -6.7(13) 1_666 1_666
C44 N3A N3B C41 -128.4(13) . 1_666
C42 N3A N3B C41 124.7(11) . 1_666
C41B N3A N3B C41 1.0(13) 1_666 1_666
C44A N3A N3B C41 -127.4(13) . 1_666
N3 N3A N3B C44B -17(35) . .
C41A N3A N3B C44B 130.5(18) 1_666 .
C41 N3A N3B C44B 137.2(16) 1_666 .
C44 N3A N3B C44B 8.8(13) . .
C42 N3A N3B C44B -98.1(13) . .
C41B N3A N3B C44B 138.2(15) 1_666 .
C44A N3A N3B C44B 9.9(15) . .
N3 N3A N3B C41A -147(36) . 1_666
C44B N3A N3B C41A -130.5(18) . 1_666
C41 N3A N3B C41A 6.7(13) 1_666 1_666
C44 N3A N3B C41A -121.7(14) . 1_666
C42 N3A N3B C41A 131.4(13) . 1_666
C41B N3A N3B C41A 7.7(12) 1_666 1_666
C44A N3A N3B C41A -120.6(14) . 1_666
N4 C42 N3B N3 -96(2) . .
N3A C42 N3B N3 3(2) . .
N3 C42 N3B N3A -3(2) . .
N4 C42 N3B N3A -99.4(11) . .
N3 C42 N3B C44A 91(2) . .
N4 C42 N3B C44A -5.4(15) . .
N3A C42 N3B C44A 93.9(15) . .
N3 C42 N3B C44 62(2) . .
N4 C42 N3B C44 -33.9(13) . .
N3A C42 N3B C44 65.5(13) . .
N3 C42 N3B C41B -81(2) . 1_666
N4 C42 N3B C41B -177.0(13) . 1_666
N3A C42 N3B C41B -77.6(16) . 1_666
N3 C42 N3B C41 -57(2) . 1_666
N4 C42 N3B C41 -153.3(10) . 1_666
N3A C42 N3B C41 -53.9(13) . 1_666
N3 C42 N3B C44B 37.9(19) . .
N4 C42 N3B C44B -58.1(10) . .
N3A C42 N3B C44B 41.2(10) . .
N3 C42 N3B C41A -41.2(19) . 1_666
N4 C42 N3B C41A -137.2(9) . 1_666
N3A C42 N3B C41A -37.8(11) . 1_666
C44 C44A N3B N3 1(3) . .
C43B C44A N3B N3 92(3) . .
C43 C44A N3B N3 67(2) . .
C44B C44A N3B N3 6(2) . .
N3A C44A N3B N3 -1(2) . .
C43A C44A N3B N3 45(2) . .
C44 C44A N3B N3A 2(2) . .
C43B C44A N3B N3A 93.3(17) . .
C43 C44A N3B N3A 68.1(15) . .
N3 C44A N3B N3A 1(2) . .
C44B C44A N3B N3A 7.9(12) . .
C43A C44A N3B N3A 46.3(13) . .
C44 C44A N3B C42 -79(2) . .
C43B C44A N3B C42 11.8(19) . .
C43 C44A N3B C42 -13.4(17) . .
N3 C44A N3B C42 -80(2) . .
C44B C44A N3B C42 -73.6(13) . .
N3A C44A N3B C42 -81.5(14) . .
C43A C44A N3B C42 -35.2(14) . .
C43B C44A N3B C44 91(2) . .
C43 C44A N3B C44 66(2) . .
N3 C44A N3B C44 -1(3) . .
C44B C44A N3B C44 5.8(19) . .
N3A C44A N3B C44 -2(2) . .
C43A C44A N3B C44 44.3(18) . .
C44 C44A N3B C41B 91(3) . 1_666
C43B C44A N3B C41B -177.4(17) . 1_666
C43 C44A N3B C41B 157.4(17) . 1_666
N3 C44A N3B C41B 91(3) . 1_666
C44B C44A N3B C41B 97.2(19) . 1_666
N3A C44A N3B C41B 89(2) . 1_666
C43A C44A N3B C41B 135.7(17) . 1_666
C44 C44A N3B C41 64(3) . 1_666
C43B C44A N3B C41 155.0(16) . 1_666
C43 C44A N3B C41 129.8(16) . 1_666
N3 C44A N3B C41 63(2) . 1_666
C44B C44A N3B C41 69.6(16) . 1_666
N3A C44A N3B C41 61.7(16) . 1_666
C43A C44A N3B C41 108.0(16) . 1_666
C44 C44A N3B C44B -5.8(19) . .
C43B C44A N3B C44B 85.4(15) . .
C43 C44A N3B C44B 60.2(12) . .
N3 C44A N3B C44B -6(2) . .
N3A C44A N3B C44B -7.9(12) . .
C43A C44A N3B C44B 38.4(9) . .
C44 C44A N3B C41A 49(2) . 1_666
C43B C44A N3B C41A 140.6(14) . 1_666
C43 C44A N3B C41A 115.4(14) . 1_666
N3 C44A N3B C41A 49(2) . 1_666
C44B C44A N3B C41A 55.2(14) . 1_666
N3A C44A N3B C41A 47.3(12) . 1_666
C43A C44A N3B C41A 93.6(13) . 1_666
C44A C44 N3B N3 -179(3) . .
C44B C44 N3B N3 11(3) . .
C43 C44 N3B N3 103(2) . .
N3A C44 N3B N3 -2(2) . .
C43A C44 N3B N3 70(3) . .
C43B C44 N3B N3 124(2) . .
C44A C44 N3B N3A -178(2) . .
C44B C44 N3B N3A 12.6(18) . .
N3 C44 N3B N3A 2(2) . .
C43 C44 N3B N3A 104.2(15) . .
C43A C44 N3B N3A 71.7(15) . .
C43B C44 N3B N3A 125.6(14) . .
C44A C44 N3B C42 108(2) . .
C44B C44 N3B C42 -61(2) . .
N3 C44 N3B C42 -72(2) . .
C43 C44 N3B C42 30.2(16) . .
N3A C44 N3B C42 -74.0(12) . .
C43A C44 N3B C42 -2.3(17) . .
C43B C44 N3B C42 51.6(13) . .
C44B C44 N3B C44A -170(3) . .
N3 C44 N3B C44A 179(3) . .
C43 C44 N3B C44A -78(2) . .
N3A C44 N3B C44A 178(2) . .
C43A C44 N3B C44A -110(3) . .
C43B C44 N3B C44A -57(2) . .
C44A C44 N3B C41B -110(2) . 1_666
C44B C44 N3B C41B 81(2) . 1_666
N3 C44 N3B C41B 70(2) . 1_666
C43 C44 N3B C41B 172.3(16) . 1_666
N3A C44 N3B C41B 68.1(17) . 1_666
C43A C44 N3B C41B 139.8(16) . 1_666
C43B C44 N3B C41B -166.3(16) . 1_666
C44A C44 N3B C41 -129(2) . 1_666
C44B C44 N3B C41 61(2) . 1_666
N3 C44 N3B C41 50(2) . 1_666
C43 C44 N3B C41 152.5(14) . 1_666
N3A C44 N3B C41 48.3(13) . 1_666
C43A C44 N3B C41 120.1(15) . 1_666
C43B C44 N3B C41 173.9(12) . 1_666
C44A C44 N3B C44B 170(3) . .
N3 C44 N3B C44B -11(3) . .
C43 C44 N3B C44B 92(2) . .
N3A C44 N3B C44B -12.6(18) . .
C43A C44 N3B C44B 59.1(18) . .
C43B C44 N3B C44B 113(2) . .
C44A C44 N3B C41A -137(2) . 1_666
C44B C44 N3B C41A 53(2) . 1_666
N3 C44 N3B C41A 42(2) . 1_666
C43 C44 N3B C41A 144.7(13) . 1_666
N3A C44 N3B C41A 40.6(11) . 1_666
C43A C44 N3B C41A 112.3(14) . 1_666
C43B C44 N3B C41A 166.2(11) . 1_666
C44 C44B N3B N3 -164(4) . .
N3A C44B N3B N3 -2(3) . .
C43A C44B N3B N3 119(3) . .
C44A C44B N3B N3 -170(4) . .
C43 C44B N3B N3 139(3) . .
C44 C44B N3B N3A -162(3) . .
C43A C44B N3B N3A 120(2) . .
N3 C44B N3B N3A 2(3) . .
C44A C44B N3B N3A -168.2(18) . .
C43 C44B N3B N3A 140.1(17) . .
C44 C44B N3B C42 121(2) . .
N3A C44B N3B C42 -77.2(14) . .
C43A C44B N3B C42 43.0(15) . .
N3 C44B N3B C42 -76(3) . .
C44A C44B N3B C42 114.7(12) . .
C43 C44B N3B C42 62.9(10) . .
C44 C44B N3B C44A 5.9(19) . .
N3A C44B N3B C44A 168.2(18) . .
C43A C44B N3B C44A -71.6(15) . .
N3 C44B N3B C44A 170(4) . .
C43 C44B N3B C44A -51.8(11) . .
N3A C44B N3B C44 162(3) . .
C43A C44B N3B C44 -78(2) . .
N3 C44B N3B C44 164(4) . .
C44A C44B N3B C44 -5.9(19) . .
C43 C44B N3B C44 -57.7(18) . .
C44 C44B N3B C41B -115(2) . 1_666
N3A C44B N3B C41B 47.4(17) . 1_666
C43A C44B N3B C41B 167.6(15) . 1_666
N3 C44B N3B C41B 49(3) . 1_666
C44A C44B N3B C41B -120.8(15) . 1_666
C43 C44B N3B C41B -172.6(13) . 1_666
C44 C44B N3B C41 -125(2) . 1_666
N3A C44B N3B C41 37.5(15) . 1_666
C43A C44B N3B C41 157.7(15) . 1_666
N3 C44B N3B C41 39(3) . 1_666
C44A C44B N3B C41 -130.7(13) . 1_666
C43 C44B N3B C41 177.6(11) . 1_666
C44 C44B N3B C41A -127(2) . 1_666
N3A C44B N3B C41A 35.7(14) . 1_666
C43A C44B N3B C41A 155.9(15) . 1_666
N3 C44B N3B C41A 37(3) . 1_666
C44A C44B N3B C41A -132.5(12) . 1_666
C43 C44B N3B C41A 175.8(11) . 1_666
N3B C42 N4 C43 23.8(12) . .
N3 C42 N4 C43 -3.2(13) . .
N3A C42 N4 C43 -25.1(12) . .
N3B C42 N4 C43B -2.9(12) . .
N3 C42 N4 C43B -30.0(13) . .
N3A C42 N4 C43B -51.8(12) . .
N3B C42 N4 C43A 54.6(11) . .
N3 C42 N4 C43A 27.6(12) . .
N3A C42 N4 C43A 5.7(11) . .
N3B C42 N4 Ni1 -159.0(8) . .
N3 C42 N4 Ni1 174.0(8) . .
N3A C42 N4 Ni1 152.1(8) . .
C43B C43 N4 C42 -95(2) . .
C43A C43 N4 C42 83.1(18) . .
C44 C43 N4 C42 -1.4(16) . .
C44A C43 N4 C42 -30.6(14) . .
C44B C43 N4 C42 31.8(12) . .
C43A C43 N4 C43B 178(4) . .
C44 C43 N4 C43B 94(3) . .
C44A C43 N4 C43B 64(2) . .
C44B C43 N4 C43B 127(3) . .
C43B C43 N4 C43A -178(4) . .
C44 C43 N4 C43A -84(2) . .
C44A C43 N4 C43A -114(2) . .
C44B C43 N4 C43A -51.3(17) . .
C43B C43 N4 Ni1 88(2) . .
C43A C43 N4 Ni1 -94.0(19) . .
C44 C43 N4 Ni1 -178.5(10) . .
C44A C43 N4 Ni1 152.3(9) . .
C44B C43 N4 Ni1 -145.3(8) . .
C43 C43B N4 C42 93(2) . .
C44A C43B N4 C42 10.2(15) . .
C43A C43B N4 C42 91.3(10) . .
C44 C43B N4 C42 35.8(12) . .
C44A C43B N4 C43 -82(3) . .
C43A C43B N4 C43 -1(2) . .
C44 C43B N4 C43 -57(2) . .
C43 C43B N4 C43A 1(2) . .
C44A C43B N4 C43A -81.1(15) . .
C44 C43B N4 C43A -55.5(11) . .
C43 C43B N4 Ni1 -110(2) . .
C44A C43B N4 Ni1 167.4(10) . .
C43A C43B N4 Ni1 -111.5(9) . .
C44 C43B N4 Ni1 -167.0(7) . .
C43 C43A N4 C42 -103.9(18) . .
C44B C43A N4 C42 -13.9(15) . .
C43B C43A N4 C42 -102.8(10) . .
C44 C43A N4 C42 -45.8(11) . .
C44A C43A N4 C42 -59.7(8) . .
C44B C43A N4 C43 90(2) . .
C43B C43A N4 C43 1.0(19) . .
C44 C43A N4 C43 58.1(18) . .
C44A C43A N4 C43 44.2(17) . .
C43 C43A N4 C43B -1.0(19) . .
C44B C43A N4 C43B 88.9(16) . .
C44 C43A N4 C43B 57.1(12) . .
C44A C43A N4 C43B 43.2(10) . .
C43 C43A N4 Ni1 108.5(18) . .
C44B C43A N4 Ni1 -161.5(11) . .
C43B C43A N4 Ni1 109.5(10) . .
C44 C43A N4 Ni1 166.6(7) . .
C44A C43A N4 Ni1 152.7(6) . .
N6 C47 N5 C45 0.9(7) . .
N6 C47 N5 Ni1 177.4(4) . .
C46 C45 N5 C47 -0.6(8) . .
C46 C45 N5 Ni1 -177.1(5) . .
N5 C47 N6 C46 -0.9(8) . .
N5 C47 N6 C48' -172.4(9) . .
N5 C47 N6 C48 170.9(8) . .
C45 C46 N6 C47 0.5(8) . .
C45 C46 N6 C48' 173.0(9) . .
C45 C46 N6 C48 -168.8(11) . .
C48 C48' N6 C47 -47(4) . .
C49 C48' N6 C47 -173.4(17) . .
C49' C48' N6 C47 -111.0(11) . .
C48 C48' N6 C46 142(3) . .
C49 C48' N6 C46 16(3) . .
C49' C48' N6 C46 78.6(12) . .
C49 C48' N6 C48 -126(4) . .
C49' C48' N6 C48 -64(3) . .
C48' C48 N6 C47 142(3) . .
C49 C48 N6 C47 169.5(10) . .
C49' C48 N6 C47 -128.0(10) . .
C48' C48 N6 C46 -49(4) . .
C49 C48 N6 C46 -22.0(18) . .
C49' C48 N6 C46 40.5(18) . .
C49 C48 N6 C48' 27(3) . .
C49' C48 N6 C48' 90(3) . .
O2 C1 O1 Ni2 5.5(10) . .
C2 C1 O1 Ni2 -176.7(4) . .
O1 C1 O2 Ni1 -6.7(8) . .
C2 C1 O2 Ni1 175.6(3) . .
O4 C17 O3 Ni1 -5.5(7) . 1_445
C11 C17 O3 Ni1 176.2(3) . 1_445
O6 C18 O5 Ni2 -31.9(7) . .
C19 C18 O5 Ni2 148.4(3) . .
O5 C18 O6 Ni1 40.2(7) . .
C19 C18 O6 Ni1 -140.1(3) . .
O8 C34 O7 Ni2 -49.1(6) . 1_565
C28 C34 O7 Ni2 128.2(3) . 1_565
O8 C34 O7 Ni2 76.9(6) . 2_666
C28 C34 O7 Ni2 -105.8(4) . 2_666
C42 N4 Ni1 O2 174.6(5) . .
C43 N4 Ni1 O2 -8.8(10) . .
C43B N4 Ni1 O2 22.2(9) . .
C43A N4 Ni1 O2 -46.4(9) . .
C42 N4 Ni1 O6 -86.0(5) . .
C43 N4 Ni1 O6 90.5(10) . .
C43B N4 Ni1 O6 121.6(9) . .
C43A N4 Ni1 O6 53.0(9) . .
C42 N4 Ni1 N5 88.1(5) . .
C43 N4 Ni1 N5 -95.4(10) . .
C43B N4 Ni1 N5 -64.3(9) . .
C43A N4 Ni1 N5 -132.9(9) . .
C42 N4 Ni1 O3 0.2(5) . 1_665
C43 N4 Ni1 O3 176.8(10) . 1_665
C43B N4 Ni1 O3 -152.2(9) . 1_665
C43A N4 Ni1 O3 139.2(9) . 1_665
C42 N4 Ni1 O9 -70(2) . .
C43 N4 Ni1 O9 106.8(19) . .
C43B N4 Ni1 O9 137.9(18) . .
C43A N4 Ni1 O9 69(2) . .
C1 O2 Ni1 N4 156.6(5) . .
C1 O2 Ni1 O6 69.4(4) . .
C1 O2 Ni1 N5 -106.3(4) . .
C1 O2 Ni1 O3 -160.4(9) . 1_665
C1 O2 Ni1 O9 -19.3(4) . .
C18 O6 Ni1 N4 -177.2(4) . .
C18 O6 Ni1 O2 -90.5(4) . .
C18 O6 Ni1 N5 54.4(13) . .
C18 O6 Ni1 O3 95.8(4) . 1_665
C18 O6 Ni1 O9 4.1(4) . .
C47 N5 Ni1 N4 86.3(5) . .
C45 N5 Ni1 N4 -98.0(5) . .
C47 N5 Ni1 O2 -0.4(5) . .
C45 N5 Ni1 O2 175.3(5) . .
C47 N5 Ni1 O6 -145.8(10) . .
C45 N5 Ni1 O6 29.9(14) . .
C47 N5 Ni1 O3 172.9(5) . 1_665
C45 N5 Ni1 O3 -11.4(5) . 1_665
C47 N5 Ni1 O9 -95.5(5) . .
C45 N5 Ni1 O9 80.3(5) . .
Ni2 O9 Ni1 N4 -68.4(18) . .
Ni2 O9 Ni1 O2 46.96(16) . .
Ni2 O9 Ni1 O6 -52.13(15) . .
Ni2 O9 Ni1 N5 133.62(17) . .
Ni2 O9 Ni1 O3 -138.20(15) . 1_665
C18 O5 Ni2 O1 70.3(4) . .
C18 O5 Ni2 N1 156.6(4) . .
C18 O5 Ni2 O9 -17.2(4) . .
C18 O5 Ni2 O7 -101.0(8) . 1_545
C18 O5 Ni2 O7 -110.9(4) . 2_666
C1 O1 Ni2 O5 -65.1(6) . .
C1 O1 Ni2 N1 -153.1(6) . .
C1 O1 Ni2 O9 22.4(6) . .
C1 O1 Ni2 O7 113.5(6) . 1_545
C1 O1 Ni2 O7 120.0(6) . 2_666
C37 N1 Ni2 O5 -171.9(4) . .
C35 N1 Ni2 O5 9.7(5) . .
C37 N1 Ni2 O1 -70.6(4) . .
C35 N1 Ni2 O1 111.0(5) . .
C37 N1 Ni2 O9 -110.5(11) . .
C35 N1 Ni2 O9 71.1(13) . .
C37 N1 Ni2 O7 17.3(4) . 1_545
C35 N1 Ni2 O7 -161.2(5) . 1_545
C37 N1 Ni2 O7 95.8(4) . 2_666
C35 N1 Ni2 O7 -82.6(5) . 2_666
Ni1 O9 Ni2 O5 56.50(15) . .
Ni1 O9 Ni2 O1 -44.79(16) . .
Ni1 O9 Ni2 N1 -5.0(12) . .
Ni1 O9 Ni2 O7 -132.84(14) . 1_545
Ni1 O9 Ni2 O7 148.72(14) . 2_666
