#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:38:05 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179070 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/32/4303286.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_4303286
loop_
_publ_author_name
'Robert D. Kennedy'
'Carolyn B. Knobler'
'M. Frederick Hawthorne'
_publ_contact_author
; 
  Hawthorne, M. F.,
  Department of Chemistry and Biochemistry,
  University of California,
  Los Angeles, CA 90095-1569.  USA
;
_publ_contact_author_email       hawthornem@missouri.edu
_publ_contact_author_fax         573-884-6900
_publ_contact_author_phone       573-882-7016
_publ_section_title
;
Toward Unidirectional Rotary Motion in Nickelacarboranes: Characterization
of Diastereomeric Nickel Bis(Dicarbollide) Complexes Derived from the
[Nido-7-CH3-7,8-C2B9H11]- Anion
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9377
_journal_page_last               9384
_journal_paper_doi               10.1021/ic901175e
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C6 H26 B18 Ni, C6 H8 N'
_chemical_formula_sum            'C12 H34 B18 N Ni'
_chemical_formula_weight         445.69
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.7860(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.2467(13)
_cell_length_b                   12.4990(8)
_cell_length_c                   8.8655(6)
_cell_measurement_reflns_used    7152
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      2.30
_cell_volume                     2349.2(3)
_computing_cell_refinement       'Bruker SMART software'
_computing_data_collection       'Bruker SMART software'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Bruker SMART 1000'
_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  0.0752
_diffrn_reflns_av_sigmaI/netI    0.0467
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            10406
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    0.829
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange-brown
_exptl_crystal_density_diffrn    1.260
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             924
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.456
_refine_diff_density_min         -0.238
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.901
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     160
_refine_ls_number_reflns         2856
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.901
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0381
_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)+(0.0542P)²+3.9177P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0999
_refine_ls_wR_factor_ref         0.1036
_reflns_number_gt                2379
_reflns_number_total             2856
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901175e_si_002_5.cif
_cod_data_source_block           rkni3cn
_cod_database_code               4303286
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1A C 0.72415(9) 0.66006(16) 0.7803(2) 0.0278(4) Uani 1 1 d . A 1
C1M C 0.78164(10) 0.60749(19) 0.7189(3) 0.0414(5) Uani 1 1 d . A 1
H1M1 H 0.8188 0.6471 0.7515 0.062 Uiso 1 1 calc R A 1
H1M2 H 0.7771 0.6067 0.6104 0.062 Uiso 1 1 calc R A 1
H1M3 H 0.7854 0.5354 0.7558 0.062 Uiso 1 1 calc R A 1
C2A C 0.69306(10) 0.61508(17) 0.9333(2) 0.0290(4) Uani 0.50 1 d P B 2
B2A B 0.69306(10) 0.61508(17) 0.9333(2) 0.0290(4) Uani 0.50 1 d P A 1
H2A H 0.7152 0.5469 0.9949 0.035 Uiso 1 1 calc R A 1
Ni1 Ni 0.7500 0.7500 1.0000 0.02300(12) Uani 1 2 d S . 1
C4A C 0.71360(10) 0.79051(19) 0.7760(2) 0.0326(4) Uani 0.50 1 d P C 3
B4A B 0.71360(10) 0.79051(19) 0.7760(2) 0.0326(4) Uani 0.50 1 d P A 1
H4A H 0.7494 0.8425 0.7296 0.039 Uiso 1 1 calc R A 1
B5A B 0.66910(12) 0.7056(2) 0.6488(3) 0.0371(5) Uani 1 1 d . A 1
H5A H 0.6740 0.7035 0.5261 0.045 Uiso 1 1 calc R A 1
B6A B 0.65570(11) 0.5894(2) 0.7528(3) 0.0342(5) Uani 1 1 d . A 1
H6A H 0.6519 0.5098 0.7001 0.041 Uiso 1 1 calc R A 1
B7A B 0.65329(10) 0.71625(19) 1.0283(2) 0.0275(4) Uani 1 1 d . A 1
H7A H 0.6452 0.7163 1.1496 0.033 Uiso 1 1 calc R A 1
B8A B 0.66660(10) 0.83388(19) 0.9230(3) 0.0311(5) Uani 1 1 d . A 1
H8A H 0.6674 0.9148 0.9719 0.037 Uiso 1 1 calc R A 1
B9A B 0.63283(11) 0.8149(2) 0.7376(3) 0.0367(5) Uani 1 1 d . A 1
H9A H 0.6149 0.8842 0.6714 0.044 Uiso 1 1 calc R A 1
B10A B 0.59538(11) 0.6863(2) 0.7262(3) 0.0374(5) Uani 1 1 d . A 1
H10A H 0.5521 0.6709 0.6544 0.045 Uiso 1 1 calc R A 1
B11A B 0.61073(10) 0.6249(2) 0.9062(3) 0.0332(5) Uani 1 1 d . A 1
H11A H 0.5781 0.5671 0.9527 0.040 Uiso 1 1 calc R A 1
B12A B 0.59375(11) 0.76338(19) 0.8929(3) 0.0342(5) Uani 1 1 d . A 1
H12A H 0.5490 0.7968 0.9272 0.041 Uiso 1 1 calc R A 1
N1C N 0.0000 0.7439(2) 0.7500 0.0471(7) Uani 1 2 d S . 1
C1C C 0.0000 0.5258(4) 0.7500 0.0589(10) Uani 1 2 d S . 1
H1C H 0.0000 0.4514 0.7500 0.071 Uiso 1 2 calc SR . 1
C2C C 0.04497(13) 0.5806(3) 0.8337(3) 0.0582(7) Uani 1 1 d . D 1
H2C H 0.0762 0.5438 0.8910 0.070 Uiso 1 1 calc R D 1
C3C C 0.04433(12) 0.6895(3) 0.8335(3) 0.0530(7) Uani 1 1 d . D 1
H3C H 0.0750 0.7268 0.8920 0.064 Uiso 1 1 calc R D 1
C4C C 0.0000 0.8607(4) 0.7500 0.0831(16) Uani 1 2 d S E 1
H4C1 H 0.0010 0.8863 0.6481 0.125 Uiso 0.50 1 calc PR E 1
H4C2 H 0.0365 0.8863 0.8089 0.125 Uiso 0.50 1 calc PR E 1
H4C3 H -0.0375 0.8863 0.7931 0.125 Uiso 0.50 1 calc PR E 1
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'
B B 0.0013 0.0007 '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'
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
_geom_angle_publ_flag
C1M C1A B4A 122.11(17) . . ?
C1M C1A B2A 121.57(17) . . ?
B4A C1A B2A 107.22(15) . . ?
C1M C1A B5A 115.68(17) . . ?
B4A C1A B5A 64.17(14) . . ?
B2A C1A B5A 112.67(16) . . ?
C1M C1A B6A 115.03(17) . . ?
B4A C1A B6A 113.34(16) . . ?
B2A C1A B6A 63.66(13) . . ?
B5A C1A B6A 62.11(14) . . ?
C1M C1A Ni1 111.40(13) . . ?
B4A C1A Ni1 63.70(10) . . ?
B2A C1A Ni1 63.42(9) . . ?
B5A C1A Ni1 122.50(14) . . ?
B6A C1A Ni1 122.12(12) . . ?
C1A B2A B11A 108.29(16) . . ?
C1A B2A B7A 112.28(15) . . ?
B11A B2A B7A 60.71(13) . . ?
C1A B2A B6A 59.79(12) . . ?
B11A B2A B6A 60.31(13) . . ?
B7A B2A B6A 111.18(16) . . ?
C1A B2A Ni1 73.00(10) . . ?
B11A B2A Ni1 121.60(14) . . ?
B7A B2A Ni1 65.33(10) . . ?
B6A B2A Ni1 127.29(14) . . ?
B7A Ni1 B7A 180.0 7_667 . ?
B7A Ni1 B8A 49.22(9) 7_667 7_667 ?
B7A Ni1 B8A 130.78(9) . 7_667 ?
B7A Ni1 B8A 130.78(9) 7_667 . ?
B7A Ni1 B8A 49.22(9) . . ?
B8A Ni1 B8A 180.000(1) 7_667 . ?
B7A Ni1 B2A 131.10(8) 7_667 . ?
B7A Ni1 B2A 48.90(8) . . ?
B8A Ni1 B2A 98.27(8) 7_667 . ?
B8A Ni1 B2A 81.73(8) . . ?
B7A Ni1 B2A 48.90(8) 7_667 7_667 ?
B7A Ni1 B2A 131.10(8) . 7_667 ?
B8A Ni1 B2A 81.73(8) 7_667 7_667 ?
B8A Ni1 B2A 98.27(8) . 7_667 ?
B2A Ni1 B2A 180.000(1) . 7_667 ?
B7A Ni1 B4A 82.19(8) 7_667 7_667 ?
B7A Ni1 B4A 97.81(8) . 7_667 ?
B8A Ni1 B4A 49.14(9) 7_667 7_667 ?
B8A Ni1 B4A 130.86(9) . 7_667 ?
B2A Ni1 B4A 103.47(9) . 7_667 ?
B2A Ni1 B4A 76.53(9) 7_667 7_667 ?
B7A Ni1 B4A 97.81(8) 7_667 . ?
B7A Ni1 B4A 82.19(8) . . ?
B8A Ni1 B4A 130.86(9) 7_667 . ?
B8A Ni1 B4A 49.14(9) . . ?
B2A Ni1 B4A 76.53(9) . . ?
B2A Ni1 B4A 103.47(9) 7_667 . ?
B4A Ni1 B4A 180.000(1) 7_667 . ?
B7A Ni1 C1A 100.17(8) 7_667 . ?
B7A Ni1 C1A 79.83(8) . . ?
B8A Ni1 C1A 100.31(8) 7_667 . ?
B8A Ni1 C1A 79.69(8) . . ?
B2A Ni1 C1A 43.58(7) . . ?
B2A Ni1 C1A 136.42(7) 7_667 . ?
B4A Ni1 C1A 136.50(8) 7_667 . ?
B4A Ni1 C1A 43.50(8) . . ?
B7A Ni1 C1A 79.83(8) 7_667 7_667 ?
B7A Ni1 C1A 100.17(8) . 7_667 ?
B8A Ni1 C1A 79.69(8) 7_667 7_667 ?
B8A Ni1 C1A 100.31(8) . 7_667 ?
B2A Ni1 C1A 136.42(7) . 7_667 ?
B2A Ni1 C1A 43.58(7) 7_667 7_667 ?
B4A Ni1 C1A 43.50(8) 7_667 7_667 ?
B4A Ni1 C1A 136.50(8) . 7_667 ?
C1A Ni1 C1A 180.0 . 7_667 ?
C1A B4A B9A 107.86(17) . . ?
C1A B4A B5A 59.25(14) . . ?
B9A B4A B5A 60.48(14) . . ?
C1A B4A B8A 111.54(16) . . ?
B9A B4A B8A 59.97(13) . . ?
B5A B4A B8A 110.26(16) . . ?
C1A B4A Ni1 72.79(10) . . ?
B9A B4A Ni1 120.62(14) . . ?
B5A B4A Ni1 126.29(15) . . ?
B8A B4A Ni1 65.09(10) . . ?
C1A B5A B6A 59.24(13) . . ?
C1A B5A B10A 106.03(17) . . ?
B6A B5A B10A 60.26(14) . . ?
C1A B5A B4A 56.59(12) . . ?
B6A B5A B4A 105.03(16) . . ?
B10A B5A B4A 106.50(17) . . ?
C1A B5A B9A 104.68(17) . . ?
B6A B5A B9A 108.28(18) . . ?
B10A B5A B9A 60.80(15) . . ?
B4A B5A B9A 59.19(14) . . ?
C1A B6A B5A 58.65(13) . . ?
C1A B6A B10A 105.57(17) . . ?
B5A B6A B10A 60.25(14) . . ?
C1A B6A B2A 56.56(11) . . ?
B5A B6A B2A 104.28(16) . . ?
B10A B6A B2A 105.95(16) . . ?
C1A B6A B11A 105.00(16) . . ?
B5A B6A B11A 108.10(18) . . ?
B10A B6A B11A 60.48(14) . . ?
B2A B6A B11A 59.45(12) . . ?
B2A B7A B8A 104.16(15) . . ?
B2A B7A B11A 59.34(12) . . ?
B8A B7A B11A 107.69(16) . . ?
B2A B7A B12A 104.83(16) . . ?
B8A B7A B12A 60.22(13) . . ?
B11A B7A B12A 59.56(13) . . ?
B2A B7A Ni1 65.77(9) . . ?
B8A B7A Ni1 65.49(10) . . ?
B11A B7A Ni1 120.76(13) . . ?
B12A B7A Ni1 120.13(14) . . ?
B9A B8A B7A 108.03(17) . . ?
B9A B8A B4A 59.35(13) . . ?
B7A B8A B4A 104.46(16) . . ?
B9A B8A B12A 59.98(14) . . ?
B7A B8A B12A 60.20(13) . . ?
B4A B8A B12A 105.27(17) . . ?
B9A B8A Ni1 120.68(14) . . ?
B7A B8A Ni1 65.29(10) . . ?
B4A B8A Ni1 65.77(10) . . ?
B12A B8A Ni1 119.94(14) . . ?
B4A B9A B8A 60.68(13) . . ?
B4A B9A B12A 106.74(16) . . ?
B8A B9A B12A 60.58(14) . . ?
B4A B9A B5A 60.34(14) . . ?
B8A B9A B5A 110.73(16) . . ?
B12A B9A B5A 107.65(18) . . ?
B4A B9A B10A 106.24(17) . . ?
B8A B9A B10A 108.93(17) . . ?
B12A B9A B10A 59.34(14) . . ?
B5A B9A B10A 59.33(14) . . ?
B12A B10A B5A 108.47(18) . . ?
B12A B10A B6A 108.42(17) . . ?
B5A B10A B6A 59.49(14) . . ?
B12A B10A B11A 59.85(14) . . ?
B5A B10A B11A 106.98(16) . . ?
B6A B10A B11A 59.81(13) . . ?
B12A B10A B9A 59.80(14) . . ?
B5A B10A B9A 59.87(15) . . ?
B6A B10A B9A 106.95(17) . . ?
B11A B10A B9A 106.32(17) . . ?
B2A B11A B6A 60.24(13) . . ?
B2A B11A B12A 105.95(16) . . ?
B6A B11A B12A 108.18(17) . . ?
B2A B11A B7A 59.95(12) . . ?
B6A B11A B7A 110.49(16) . . ?
B12A B11A B7A 60.42(13) . . ?
B2A B11A B10A 105.96(16) . . ?
B6A B11A B10A 59.71(14) . . ?
B12A B11A B10A 59.66(14) . . ?
B7A B11A B10A 108.94(17) . . ?
B10A B12A B11A 60.48(14) . . ?
B10A B12A B9A 60.86(15) . . ?
B11A B12A B9A 107.63(17) . . ?
B10A B12A B7A 109.29(16) . . ?
B11A B12A B7A 60.02(13) . . ?
B9A B12A B7A 107.11(16) . . ?
B10A B12A B8A 109.23(17) . . ?
B11A B12A B8A 107.55(16) . . ?
B9A B12A B8A 59.44(13) . . ?
B7A B12A B8A 59.58(13) . . ?
C3C N1C C3C 119.3(3) 2_556 . ?
C3C N1C C4C 120.36(17) 2_556 . ?
C3C N1C C4C 120.36(17) . . ?
C2C C1C C2C 119.4(4) . 2_556 ?
C2C C1C H1C 120.3 . . ?
C2C C1C H1C 120.3 2_556 . ?
C1C C2C C3C 119.8(3) . . ?
C1C C2C H2C 120.1 . . ?
C3C C2C H2C 120.1 . . ?
N1C C3C C2C 120.8(3) . . ?
N1C C3C H3C 119.6 . . ?
C2C C3C H3C 119.6 . . ?
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
C1A C1M 1.519(3) . ?
C1A B4A 1.646(3) . ?
C1A B2A 1.646(3) . ?
C1A B5A 1.695(3) . ?
C1A B6A 1.705(3) . ?
C1A Ni1 2.2840(19) . ?
C1M H1M1 0.9600 . ?
C1M H1M2 0.9600 . ?
C1M H1M3 0.9600 . ?
B2A B11A 1.754(3) . ?
B2A B7A 1.765(3) . ?
B2A B6A 1.768(3) . ?
B2A Ni1 2.136(2) . ?
B2A H2A 1.1000 . ?
Ni1 B7A 2.129(2) 7_667 ?
Ni1 B7A 2.129(2) . ?
Ni1 B8A 2.132(2) 7_667 ?
Ni1 B8A 2.132(2) . ?
Ni1 B2A 2.136(2) 7_667 ?
Ni1 B4A 2.144(2) 7_667 ?
Ni1 B4A 2.144(2) . ?
Ni1 C1A 2.2840(19) 7_667 ?
B4A B9A 1.754(3) . ?
B4A B5A 1.775(4) . ?
B4A B8A 1.778(3) . ?
B4A H4A 1.1000 . ?
B5A B6A 1.754(4) . ?
B5A B10A 1.767(4) . ?
B5A B9A 1.777(4) . ?
B5A H5A 1.1000 . ?
B6A B10A 1.768(4) . ?
B6A B11A 1.769(3) . ?
B6A H6A 1.1000 . ?
B7A B8A 1.774(3) . ?
B7A B11A 1.779(3) . ?
B7A B12A 1.786(3) . ?
B7A H7A 1.1000 . ?
B8A B9A 1.765(3) . ?
B8A B12A 1.786(3) . ?
B8A H8A 1.1000 . ?
B9A B12A 1.775(4) . ?
B9A B10A 1.794(4) . ?
B9A H9A 1.1000 . ?
B10A B12A 1.767(4) . ?
B10A B11A 1.781(4) . ?
B10A H10A 1.1000 . ?
B11A B12A 1.770(3) . ?
B11A H11A 1.1000 . ?
B12A H12A 1.1000 . ?
N1C C3C 1.343(3) 2_556 ?
N1C C3C 1.343(3) . ?
N1C C4C 1.461(5) . ?
C1C C2C 1.356(4) . ?
C1C C2C 1.356(4) 2_556 ?
C1C H1C 0.9300 . ?
C2C C3C 1.362(4) . ?
C2C H2C 0.9300 . ?
C3C H3C 0.9300 . ?
C4C H4C1 0.9600 . ?
C4C H4C2 0.9600 . ?
C4C H4C3 0.9600 . ?
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
C1M C1A B2A B11A -141.70(18) . . . . ?
B4A C1A B2A B11A 70.78(18) . . . . ?
B5A C1A B2A B11A 2.2(2) . . . . ?
B6A C1A B2A B11A -37.24(15) . . . . ?
Ni1 C1A B2A B11A 118.43(15) . . . . ?
C1M C1A B2A B7A 153.22(17) . . . . ?
B4A C1A B2A B7A 5.7(2) . . . . ?
B5A C1A B2A B7A -62.9(2) . . . . ?
B6A C1A B2A B7A -102.31(17) . . . . ?
Ni1 C1A B2A B7A 53.35(12) . . . . ?
C1M C1A B2A B6A -104.5(2) . . . . ?
B4A C1A B2A B6A 108.02(17) . . . . ?
B5A C1A B2A B6A 39.43(17) . . . . ?
Ni1 C1A B2A B6A 155.67(13) . . . . ?
C1M C1A B2A Ni1 99.87(17) . . . . ?
B4A C1A B2A Ni1 -47.64(12) . . . . ?
B5A C1A B2A Ni1 -116.24(15) . . . . ?
B6A C1A B2A Ni1 -155.67(13) . . . . ?
C1A B2A Ni1 B7A -54.79(15) . . . 7_667 ?
B11A B2A Ni1 B7A -156.16(14) . . . 7_667 ?
B7A B2A Ni1 B7A 180.0 . . . 7_667 ?
B6A B2A Ni1 B7A -81.4(2) . . . 7_667 ?
C1A B2A Ni1 B7A 125.21(15) . . . . ?
B11A B2A Ni1 B7A 23.84(14) . . . . ?
B6A B2A Ni1 B7A 98.6(2) . . . . ?
C1A B2A Ni1 B8A -96.29(11) . . . 7_667 ?
B11A B2A Ni1 B8A 162.34(16) . . . 7_667 ?
B7A B2A Ni1 B8A 138.50(11) . . . 7_667 ?
B6A B2A Ni1 B8A -122.88(17) . . . 7_667 ?
C1A B2A Ni1 B8A 83.71(11) . . . . ?
B11A B2A Ni1 B8A -17.66(16) . . . . ?
B7A B2A Ni1 B8A -41.50(11) . . . . ?
B6A B2A Ni1 B8A 57.12(17) . . . . ?
C1A B2A Ni1 B4A -146.13(10) . . . 7_667 ?
B11A B2A Ni1 B4A 112.50(16) . . . 7_667 ?
B7A B2A Ni1 B4A 88.66(11) . . . 7_667 ?
B6A B2A Ni1 B4A -172.72(16) . . . 7_667 ?
C1A B2A Ni1 B4A 33.87(10) . . . . ?
B11A B2A Ni1 B4A -67.50(16) . . . . ?
B7A B2A Ni1 B4A -91.34(11) . . . . ?
B6A B2A Ni1 B4A 7.28(16) . . . . ?
B11A B2A Ni1 C1A -101.37(18) . . . . ?
B7A B2A Ni1 C1A -125.21(15) . . . . ?
B6A B2A Ni1 C1A -26.59(14) . . . . ?
C1A B2A Ni1 C1A 180.0 . . . 7_667 ?
B11A B2A Ni1 C1A 78.63(18) . . . 7_667 ?
B7A B2A Ni1 C1A 54.79(15) . . . 7_667 ?
B6A B2A Ni1 C1A 153.41(14) . . . 7_667 ?
C1M C1A Ni1 B7A 25.64(16) . . . 7_667 ?
B4A C1A Ni1 B7A -90.66(12) . . . 7_667 ?
B2A C1A Ni1 B7A 141.28(11) . . . 7_667 ?
B5A C1A Ni1 B7A -117.64(16) . . . 7_667 ?
B6A C1A Ni1 B7A 167.12(15) . . . 7_667 ?
C1M C1A Ni1 B7A -154.36(16) . . . . ?
B4A C1A Ni1 B7A 89.34(12) . . . . ?
B2A C1A Ni1 B7A -38.72(11) . . . . ?
B5A C1A Ni1 B7A 62.36(16) . . . . ?
B6A C1A Ni1 B7A -12.88(15) . . . . ?
C1M C1A Ni1 B8A -24.44(16) . . . 7_667 ?
B4A C1A Ni1 B8A -140.74(11) . . . 7_667 ?
B2A C1A Ni1 B8A 91.20(11) . . . 7_667 ?
B5A C1A Ni1 B8A -167.72(16) . . . 7_667 ?
B6A C1A Ni1 B8A 117.05(16) . . . 7_667 ?
C1M C1A Ni1 B8A 155.56(16) . . . . ?
B4A C1A Ni1 B8A 39.26(11) . . . . ?
B2A C1A Ni1 B8A -88.80(11) . . . . ?
B5A C1A Ni1 B8A 12.28(16) . . . . ?
B6A C1A Ni1 B8A -62.95(16) . . . . ?
C1M C1A Ni1 B2A -115.64(19) . . . . ?
B4A C1A Ni1 B2A 128.06(15) . . . . ?
B5A C1A Ni1 B2A 101.08(18) . . . . ?
B6A C1A Ni1 B2A 25.85(15) . . . . ?
C1M C1A Ni1 B2A 64.36(19) . . . 7_667 ?
B4A C1A Ni1 B2A -51.94(15) . . . 7_667 ?
B2A C1A Ni1 B2A 180.000(2) . . . 7_667 ?
B5A C1A Ni1 B2A -78.92(18) . . . 7_667 ?
B6A C1A Ni1 B2A -154.15(15) . . . 7_667 ?
C1M C1A Ni1 B4A -63.70(19) . . . 7_667 ?
B4A C1A Ni1 B4A 180.000(1) . . . 7_667 ?
B2A C1A Ni1 B4A 51.94(15) . . . 7_667 ?
B5A C1A Ni1 B4A 153.02(15) . . . 7_667 ?
B6A C1A Ni1 B4A 77.79(18) . . . 7_667 ?
C1M C1A Ni1 B4A 116.30(19) . . . . ?
B2A C1A Ni1 B4A -128.06(15) . . . . ?
B5A C1A Ni1 B4A -26.98(15) . . . . ?
B6A C1A Ni1 B4A -102.21(18) . . . . ?
C1M C1A B4A B9A 142.77(19) . . . . ?
B2A C1A B4A B9A -69.93(18) . . . . ?
B5A C1A B4A B9A 37.42(16) . . . . ?
B6A C1A B4A B9A -1.8(2) . . . . ?
Ni1 C1A B4A B9A -117.42(15) . . . . ?
C1M C1A B4A B5A 105.3(2) . . . . ?
B2A C1A B4A B5A -107.35(17) . . . . ?
B6A C1A B4A B5A -39.20(16) . . . . ?
Ni1 C1A B4A B5A -154.84(14) . . . . ?
C1M C1A B4A B8A -153.21(18) . . . . ?
B2A C1A B4A B8A -5.9(2) . . . . ?
B5A C1A B4A B8A 101.44(18) . . . . ?
B6A C1A B4A B8A 62.2(2) . . . . ?
Ni1 C1A B4A B8A -53.40(12) . . . . ?
C1M C1A B4A Ni1 -99.81(17) . . . . ?
B2A C1A B4A Ni1 47.49(12) . . . . ?
B5A C1A B4A Ni1 154.84(14) . . . . ?
B6A C1A B4A Ni1 115.64(14) . . . . ?
B7A Ni1 B4A C1A 96.57(11) 7_667 . . . ?
B7A Ni1 B4A C1A -83.43(11) . . . . ?
B8A Ni1 B4A C1A 55.42(15) 7_667 . . . ?
B8A Ni1 B4A C1A -124.58(15) . . . . ?
B2A Ni1 B4A C1A -33.93(10) . . . . ?
B2A Ni1 B4A C1A 146.07(10) 7_667 . . . ?
C1A Ni1 B4A C1A 180.000(1) 7_667 . . . ?
B7A Ni1 B4A B9A -162.49(17) 7_667 . . . ?
B7A Ni1 B4A B9A 17.51(17) . . . . ?
B8A Ni1 B4A B9A 156.36(16) 7_667 . . . ?
B8A Ni1 B4A B9A -23.64(16) . . . . ?
B2A Ni1 B4A B9A 67.02(17) . . . . ?
B2A Ni1 B4A B9A -112.98(17) 7_667 . . . ?
C1A Ni1 B4A B9A 100.9(2) . . . . ?
C1A Ni1 B4A B9A -79.1(2) 7_667 . . . ?
B7A Ni1 B4A B5A 123.52(17) 7_667 . . . ?
B7A Ni1 B4A B5A -56.48(17) . . . . ?
B8A Ni1 B4A B5A 82.4(2) 7_667 . . . ?
B8A Ni1 B4A B5A -97.6(2) . . . . ?
B2A Ni1 B4A B5A -6.97(16) . . . . ?
B2A Ni1 B4A B5A 173.03(16) 7_667 . . . ?
C1A Ni1 B4A B5A 26.95(15) . . . . ?
C1A Ni1 B4A B5A -153.05(15) 7_667 . . . ?
B7A Ni1 B4A B8A -138.85(12) 7_667 . . . ?
B7A Ni1 B4A B8A 41.15(12) . . . . ?
B8A Ni1 B4A B8A 180.000(1) 7_667 . . . ?
B2A Ni1 B4A B8A 90.66(12) . . . . ?
B2A Ni1 B4A B8A -89.34(12) 7_667 . . . ?
C1A Ni1 B4A B8A 124.58(15) . . . . ?
C1A Ni1 B4A B8A -55.42(15) 7_667 . . . ?
C1M C1A B5A B6A 106.1(2) . . . . ?
B4A C1A B5A B6A -138.96(17) . . . . ?
B2A C1A B5A B6A -40.09(16) . . . . ?
Ni1 C1A B5A B6A -112.09(16) . . . . ?
C1M C1A B5A B10A 145.55(19) . . . . ?
B4A C1A B5A B10A -99.46(19) . . . . ?
B2A C1A B5A B10A -0.6(2) . . . . ?
B6A C1A B5A B10A 39.49(17) . . . . ?
Ni1 C1A B5A B10A -72.6(2) . . . . ?
C1M C1A B5A B4A -114.99(19) . . . . ?
B2A C1A B5A B4A 98.87(17) . . . . ?
B6A C1A B5A B4A 138.96(17) . . . . ?
Ni1 C1A B5A B4A 26.87(14) . . . . ?
C1M C1A B5A B9A -151.15(18) . . . . ?
B4A C1A B5A B9A -36.17(16) . . . . ?
B2A C1A B5A B9A 62.7(2) . . . . ?
B6A C1A B5A B9A 102.79(18) . . . . ?
Ni1 C1A B5A B9A -9.3(2) . . . . ?
B9A B4A B5A C1A -138.34(17) . . . . ?
B8A B4A B5A C1A -103.64(17) . . . . ?
Ni1 B4A B5A C1A -30.25(16) . . . . ?
C1A B4A B5A B6A 35.75(15) . . . . ?
B9A B4A B5A B6A -102.59(18) . . . . ?
B8A B4A B5A B6A -67.9(2) . . . . ?
Ni1 B4A B5A B6A 5.5(2) . . . . ?
C1A B4A B5A B10A 98.60(18) . . . . ?
B9A B4A B5A B10A -39.74(16) . . . . ?
B8A B4A B5A B10A -5.0(2) . . . . ?
Ni1 B4A B5A B10A 68.4(2) . . . . ?
C1A B4A B5A B9A 138.34(17) . . . . ?
B8A B4A B5A B9A 34.70(16) . . . . ?
Ni1 B4A B5A B9A 108.09(18) . . . . ?
C1M C1A B6A B5A -107.1(2) . . . . ?
B4A C1A B6A B5A 40.07(17) . . . . ?
B2A C1A B6A B5A 138.46(17) . . . . ?
Ni1 C1A B6A B5A 112.67(16) . . . . ?
C1M C1A B6A B10A -146.49(18) . . . . ?
B4A C1A B6A B10A 0.7(2) . . . . ?
B2A C1A B6A B10A 99.08(17) . . . . ?
B5A C1A B6A B10A -39.38(16) . . . . ?
Ni1 C1A B6A B10A 73.29(18) . . . . ?
C1M C1A B6A B2A 114.43(19) . . . . ?
B4A C1A B6A B2A -98.40(17) . . . . ?
B5A C1A B6A B2A -138.46(17) . . . . ?
Ni1 C1A B6A B2A -25.79(14) . . . . ?
C1M C1A B6A B11A 150.57(18) . . . . ?
B4A C1A B6A B11A -62.3(2) . . . . ?
B2A C1A B6A B11A 36.14(15) . . . . ?
B5A C1A B6A B11A -102.32(18) . . . . ?
Ni1 C1A B6A B11A 10.4(2) . . . . ?
B10A B5A B6A C1A -135.25(17) . . . . ?
B4A B5A B6A C1A -34.58(14) . . . . ?
B9A B5A B6A C1A -96.55(18) . . . . ?
C1A B5A B6A B10A 135.25(17) . . . . ?
B4A B5A B6A B10A 100.68(18) . . . . ?
B9A B5A B6A B10A 38.70(16) . . . . ?
C1A B5A B6A B2A 34.82(14) . . . . ?
B10A B5A B6A B2A -100.44(17) . . . . ?
B4A B5A B6A B2A 0.2(2) . . . . ?
B9A B5A B6A B2A -61.7(2) . . . . ?
C1A B5A B6A B11A 96.88(17) . . . . ?
B10A B5A B6A B11A -38.37(16) . . . . ?
B4A B5A B6A B11A 62.3(2) . . . . ?
B9A B5A B6A B11A 0.3(2) . . . . ?
B11A B2A B6A C1A 138.59(17) . . . . ?
B7A B2A B6A C1A 104.17(17) . . . . ?
Ni1 B2A B6A C1A 29.69(15) . . . . ?
C1A B2A B6A B5A -35.76(15) . . . . ?
B11A B2A B6A B5A 102.83(18) . . . . ?
B7A B2A B6A B5A 68.41(19) . . . . ?
Ni1 B2A B6A B5A -6.1(2) . . . . ?
C1A B2A B6A B10A -98.38(18) . . . . ?
B11A B2A B6A B10A 40.21(16) . . . . ?
B7A B2A B6A B10A 5.8(2) . . . . ?
Ni1 B2A B6A B10A -68.7(2) . . . . ?
C1A B2A B6A B11A -138.59(17) . . . . ?
B7A B2A B6A B11A -34.42(16) . . . . ?
Ni1 B2A B6A B11A -108.90(18) . . . . ?
C1A B2A B7A B8A -3.3(2) . . . . ?
B11A B2A B7A B8A -102.40(17) . . . . ?
B6A B2A B7A B8A -68.13(19) . . . . ?
Ni1 B2A B7A B8A 54.35(12) . . . . ?
C1A B2A B7A B11A 99.15(17) . . . . ?
B6A B2A B7A B11A 34.26(16) . . . . ?
Ni1 B2A B7A B11A 156.75(14) . . . . ?
C1A B2A B7A B12A 59.16(19) . . . . ?
B11A B2A B7A B12A -39.99(15) . . . . ?
B6A B2A B7A B12A -5.7(2) . . . . ?
Ni1 B2A B7A B12A 116.76(14) . . . . ?
C1A B2A B7A Ni1 -57.60(13) . . . . ?
B11A B2A B7A Ni1 -156.75(14) . . . . ?
B6A B2A B7A Ni1 -122.49(14) . . . . ?
B8A Ni1 B7A B2A -59.99(15) 7_667 . . . ?
B8A Ni1 B7A B2A 120.01(15) . . . . ?
B2A Ni1 B7A B2A 180.0 7_667 . . . ?
B4A Ni1 B7A B2A -101.08(11) 7_667 . . . ?
B4A Ni1 B7A B2A 78.92(11) . . . . ?
C1A Ni1 B7A B2A 34.91(10) . . . . ?
C1A Ni1 B7A B2A -145.09(10) 7_667 . . . ?
B8A Ni1 B7A B8A 180.0 7_667 . . . ?
B2A Ni1 B7A B8A -120.01(15) . . . . ?
B2A Ni1 B7A B8A 59.99(15) 7_667 . . . ?
B4A Ni1 B7A B8A 138.91(12) 7_667 . . . ?
B4A Ni1 B7A B8A -41.09(12) . . . . ?
C1A Ni1 B7A B8A -85.10(11) . . . . ?
C1A Ni1 B7A B8A 94.90(11) 7_667 . . . ?
B8A Ni1 B7A B11A -83.27(19) 7_667 . . . ?
B8A Ni1 B7A B11A 96.73(19) . . . . ?
B2A Ni1 B7A B11A -23.28(14) . . . . ?
B2A Ni1 B7A B11A 156.72(14) 7_667 . . . ?
B4A Ni1 B7A B11A -124.36(17) 7_667 . . . ?
B4A Ni1 B7A B11A 55.64(17) . . . . ?
C1A Ni1 B7A B11A 11.63(15) . . . . ?
C1A Ni1 B7A B11A -168.37(15) 7_667 . . . ?
B8A Ni1 B7A B12A -153.61(15) 7_667 . . . ?
B8A Ni1 B7A B12A 26.39(15) . . . . ?
B2A Ni1 B7A B12A -93.62(18) . . . . ?
B2A Ni1 B7A B12A 86.38(18) 7_667 . . . ?
B4A Ni1 B7A B12A 165.29(16) 7_667 . . . ?
B4A Ni1 B7A B12A -14.71(16) . . . . ?
C1A Ni1 B7A B12A -58.72(15) . . . . ?
C1A Ni1 B7A B12A 121.28(15) 7_667 . . . ?
B2A B7A B8A B9A 61.63(18) . . . . ?
B11A B7A B8A B9A -0.2(2) . . . . ?
B12A B7A B8A B9A -37.55(15) . . . . ?
Ni1 B7A B8A B9A 116.16(15) . . . . ?
B2A B7A B8A B4A -0.35(19) . . . . ?
B11A B7A B8A B4A -62.22(18) . . . . ?
B12A B7A B8A B4A -99.54(17) . . . . ?
Ni1 B7A B8A B4A 54.17(12) . . . . ?
B2A B7A B8A B12A 99.19(16) . . . . ?
B11A B7A B8A B12A 37.32(15) . . . . ?
Ni1 B7A B8A B12A 153.71(14) . . . . ?
B2A B7A B8A Ni1 -54.53(12) . . . . ?
B11A B7A B8A Ni1 -116.40(14) . . . . ?
B12A B7A B8A Ni1 -153.71(14) . . . . ?
C1A B4A B8A B9A -98.78(18) . . . . ?
B5A B4A B8A B9A -34.90(17) . . . . ?
Ni1 B4A B8A B9A -156.51(15) . . . . ?
C1A B4A B8A B7A 3.9(2) . . . . ?
B9A B4A B8A B7A 102.64(17) . . . . ?
B5A B4A B8A B7A 67.74(19) . . . . ?
Ni1 B4A B8A B7A -53.87(12) . . . . ?
C1A B4A B8A B12A -58.66(19) . . . . ?
B9A B4A B8A B12A 40.12(15) . . . . ?
B5A B4A B8A B12A 5.2(2) . . . . ?
Ni1 B4A B8A B12A -116.39(14) . . . . ?
C1A B4A B8A Ni1 57.73(13) . . . . ?
B9A B4A B8A Ni1 156.51(15) . . . . ?
B5A B4A B8A Ni1 121.61(16) . . . . ?
B7A Ni1 B8A B9A 82.92(19) 7_667 . . . ?
B7A Ni1 B8A B9A -97.08(19) . . . . ?
B2A Ni1 B8A B9A -55.82(17) . . . . ?
B2A Ni1 B8A B9A 124.18(17) 7_667 . . . ?
B4A Ni1 B8A B9A -156.50(15) 7_667 . . . ?
B4A Ni1 B8A B9A 23.50(15) . . . . ?
C1A Ni1 B8A B9A -11.68(16) . . . . ?
C1A Ni1 B8A B9A 168.32(16) 7_667 . . . ?
B7A Ni1 B8A B7A 180.0 7_667 . . . ?
B2A Ni1 B8A B7A 41.26(11) . . . . ?
B2A Ni1 B8A B7A -138.74(11) 7_667 . . . ?
B4A Ni1 B8A B7A -59.42(16) 7_667 . . . ?
B4A Ni1 B8A B7A 120.58(16) . . . . ?
C1A Ni1 B8A B7A 85.40(11) . . . . ?
C1A Ni1 B8A B7A -94.60(11) 7_667 . . . ?
B7A Ni1 B8A B4A 59.42(16) 7_667 . . . ?
B7A Ni1 B8A B4A -120.58(16) . . . . ?
B2A Ni1 B8A B4A -79.32(12) . . . . ?
B2A Ni1 B8A B4A 100.68(12) 7_667 . . . ?
B4A Ni1 B8A B4A 180.0 7_667 . . . ?
C1A Ni1 B8A B4A -35.17(11) . . . . ?
C1A Ni1 B8A B4A 144.83(11) 7_667 . . . ?
B7A Ni1 B8A B12A 153.67(14) 7_667 . . . ?
B7A Ni1 B8A B12A -26.33(14) . . . . ?
B2A Ni1 B8A B12A 14.93(16) . . . . ?
B2A Ni1 B8A B12A -165.07(16) 7_667 . . . ?
B4A Ni1 B8A B12A -85.75(19) 7_667 . . . ?
B4A Ni1 B8A B12A 94.25(19) . . . . ?
C1A Ni1 B8A B12A 59.07(16) . . . . ?
C1A Ni1 B8A B12A -120.93(16) 7_667 . . . ?
C1A B4A B9A B8A 105.03(17) . . . . ?
B5A B4A B9A B8A 141.91(18) . . . . ?
Ni1 B4A B9A B8A 24.84(16) . . . . ?
C1A B4A B9A B12A 64.3(2) . . . . ?
B5A B4A B9A B12A 101.13(19) . . . . ?
B8A B4A B9A B12A -40.78(16) . . . . ?
Ni1 B4A B9A B12A -15.9(2) . . . . ?
C1A B4A B9A B5A -36.88(16) . . . . ?
B8A B4A B9A B5A -141.91(18) . . . . ?
Ni1 B4A B9A B5A -117.07(19) . . . . ?
C1A B4A B9A B10A 2.1(2) . . . . ?
B5A B4A B9A B10A 38.98(16) . . . . ?
B8A B4A B9A B10A -102.94(18) . . . . ?
Ni1 B4A B9A B10A -78.1(2) . . . . ?
B7A B8A B9A B4A -96.45(17) . . . . ?
B12A B8A B9A B4A -134.11(17) . . . . ?
Ni1 B8A B9A B4A -25.00(15) . . . . ?
B7A B8A B9A B12A 37.65(15) . . . . ?
B4A B8A B9A B12A 134.11(17) . . . . ?
Ni1 B8A B9A B12A 109.11(17) . . . . ?
B7A B8A B9A B5A -61.5(2) . . . . ?
B4A B8A B9A B5A 34.97(17) . . . . ?
B12A B8A B9A B5A -99.14(19) . . . . ?
Ni1 B8A B9A B5A 10.0(2) . . . . ?
B7A B8A B9A B10A 2.0(2) . . . . ?
B4A B8A B9A B10A 98.43(18) . . . . ?
B12A B8A B9A B10A -35.68(16) . . . . ?
Ni1 B8A B9A B10A 73.4(2) . . . . ?
C1A B5A B9A B4A 35.00(15) . . . . ?
B6A B5A B9A B4A 96.95(18) . . . . ?
B10A B5A B9A B4A 135.40(17) . . . . ?
C1A B5A B9A B8A -0.1(2) . . . . ?
B6A B5A B9A B8A 61.8(2) . . . . ?
B10A B5A B9A B8A 100.30(19) . . . . ?
B4A B5A B9A B8A -35.10(16) . . . . ?
C1A B5A B9A B12A -64.6(2) . . . . ?
B6A B5A B9A B12A -2.6(2) . . . . ?
B10A B5A B9A B12A 35.81(16) . . . . ?
B4A B5A B9A B12A -99.60(18) . . . . ?
C1A B5A B9A B10A -100.40(18) . . . . ?
B6A B5A B9A B10A -38.46(16) . . . . ?
B4A B5A B9A B10A -135.40(17) . . . . ?
C1A B5A B10A B12A 61.9(2) . . . . ?
B6A B5A B10A B12A 100.95(18) . . . . ?
B4A B5A B10A B12A 2.8(2) . . . . ?
B9A B5A B10A B12A -36.20(17) . . . . ?
C1A B5A B10A B6A -39.01(16) . . . . ?
B4A B5A B10A B6A -98.18(18) . . . . ?
B9A B5A B10A B6A -137.15(17) . . . . ?
C1A B5A B10A B11A -1.2(2) . . . . ?
B6A B5A B10A B11A 37.80(16) . . . . ?
B4A B5A B10A B11A -60.4(2) . . . . ?
B9A B5A B10A B11A -99.35(18) . . . . ?
C1A B5A B10A B9A 98.14(18) . . . . ?
B6A B5A B10A B9A 137.15(17) . . . . ?
B4A B5A B10A B9A 38.97(16) . . . . ?
C1A B6A B10A B12A -62.4(2) . . . . ?
B5A B6A B10A B12A -101.03(19) . . . . ?
B2A B6A B10A B12A -3.4(2) . . . . ?
B11A B6A B10A B12A 36.28(16) . . . . ?
C1A B6A B10A B5A 38.62(15) . . . . ?
B2A B6A B10A B5A 97.59(17) . . . . ?
B11A B6A B10A B5A 137.30(18) . . . . ?
C1A B6A B10A B11A -98.69(17) . . . . ?
B5A B6A B10A B11A -137.30(18) . . . . ?
B2A B6A B10A B11A -39.71(15) . . . . ?
C1A B6A B10A B9A 0.7(2) . . . . ?
B5A B6A B10A B9A -37.95(16) . . . . ?
B2A B6A B10A B9A 59.6(2) . . . . ?
B11A B6A B10A B9A 99.36(18) . . . . ?
B4A B9A B10A B12A 100.14(18) . . . . ?
B8A B9A B10A B12A 36.20(16) . . . . ?
B5A B9A B10A B12A 139.60(17) . . . . ?
B4A B9A B10A B5A -39.46(15) . . . . ?
B8A B9A B10A B5A -103.40(18) . . . . ?
B12A B9A B10A B5A -139.60(17) . . . . ?
B4A B9A B10A B6A -1.7(2) . . . . ?
B8A B9A B10A B6A -65.6(2) . . . . ?
B12A B9A B10A B6A -101.82(18) . . . . ?
B5A B9A B10A B6A 37.78(16) . . . . ?
B4A B9A B10A B11A 61.0(2) . . . . ?
B8A B9A B10A B11A -2.9(2) . . . . ?
B12A B9A B10A B11A -39.11(15) . . . . ?
B5A B9A B10A B11A 100.49(18) . . . . ?
C1A B2A B11A B6A 37.01(15) . . . . ?
B7A B2A B11A B6A 142.82(17) . . . . ?
Ni1 B2A B11A B6A 117.91(17) . . . . ?
C1A B2A B11A B12A -65.13(19) . . . . ?
B7A B2A B11A B12A 40.67(15) . . . . ?
B6A B2A B11A B12A -102.15(18) . . . . ?
Ni1 B2A B11A B12A 15.8(2) . . . . ?
C1A B2A B11A B7A -105.81(16) . . . . ?
B6A B2A B11A B7A -142.82(17) . . . . ?
Ni1 B2A B11A B7A -24.91(14) . . . . ?
C1A B2A B11A B10A -2.8(2) . . . . ?
B7A B2A B11A B10A 102.98(18) . . . . ?
B6A B2A B11A B10A -39.84(16) . . . . ?
Ni1 B2A B11A B10A 78.07(19) . . . . ?
C1A B6A B11A B2A -34.85(14) . . . . ?
B5A B6A B11A B2A -96.22(17) . . . . ?
B10A B6A B11A B2A -134.49(17) . . . . ?
C1A B6A B11A B12A 63.5(2) . . . . ?
B5A B6A B11A B12A 2.1(2) . . . . ?
B10A B6A B11A B12A -36.14(16) . . . . ?
B2A B6A B11A B12A 98.36(17) . . . . ?
C1A B6A B11A B7A -0.9(2) . . . . ?
B5A B6A B11A B7A -62.3(2) . . . . ?
B10A B6A B11A B7A -100.55(19) . . . . ?
B2A B6A B11A B7A 33.95(16) . . . . ?
C1A B6A B11A B10A 99.65(18) . . . . ?
B5A B6A B11A B10A 38.27(16) . . . . ?
B2A B6A B11A B10A 134.49(17) . . . . ?
B8A B7A B11A B2A 96.29(16) . . . . ?
B12A B7A B11A B2A 133.90(17) . . . . ?
Ni1 B7A B11A B2A 24.76(14) . . . . ?
B2A B7A B11A B6A -34.06(16) . . . . ?
B8A B7A B11A B6A 62.2(2) . . . . ?
B12A B7A B11A B6A 99.84(19) . . . . ?
Ni1 B7A B11A B6A -9.3(2) . . . . ?
B2A B7A B11A B12A -133.90(17) . . . . ?
B8A B7A B11A B12A -37.61(15) . . . . ?
Ni1 B7A B11A B12A -109.13(17) . . . . ?
B2A B7A B11A B10A -97.89(17) . . . . ?
B8A B7A B11A B10A -1.6(2) . . . . ?
B12A B7A B11A B10A 36.01(16) . . . . ?
Ni1 B7A B11A B10A -73.1(2) . . . . ?
B12A B10A B11A B2A -99.42(17) . . . . ?
B5A B10A B11A B2A 2.4(2) . . . . ?
B6A B10A B11A B2A 40.10(15) . . . . ?
B9A B10A B11A B2A -60.3(2) . . . . ?
B12A B10A B11A B6A -139.52(17) . . . . ?
B5A B10A B11A B6A -37.65(17) . . . . ?
B9A B10A B11A B6A -100.43(18) . . . . ?
B5A B10A B11A B12A 101.86(19) . . . . ?
B6A B10A B11A B12A 139.52(17) . . . . ?
B9A B10A B11A B12A 39.09(16) . . . . ?
B12A B10A B11A B7A -36.33(15) . . . . ?
B5A B10A B11A B7A 65.5(2) . . . . ?
B6A B10A B11A B7A 103.19(17) . . . . ?
B9A B10A B11A B7A 2.8(2) . . . . ?
B5A B10A B12A B11A -99.33(18) . . . . ?
B6A B10A B12A B11A -36.26(16) . . . . ?
B9A B10A B12A B11A -135.56(17) . . . . ?
B5A B10A B12A B9A 36.23(16) . . . . ?
B6A B10A B12A B9A 99.30(18) . . . . ?
B11A B10A B12A B9A 135.56(17) . . . . ?
B5A B10A B12A B7A -63.1(2) . . . . ?
B6A B10A B12A B7A 0.0(2) . . . . ?
B11A B10A B12A B7A 36.25(15) . . . . ?
B9A B10A B12A B7A -99.31(18) . . . . ?
B5A B10A B12A B8A 0.4(2) . . . . ?
B6A B10A B12A B8A 63.5(2) . . . . ?
B11A B10A B12A B8A 99.76(17) . . . . ?
B9A B10A B12A B8A -35.80(16) . . . . ?
B2A B11A B12A B10A 99.44(17) . . . . ?
B6A B11A B12A B10A 36.16(16) . . . . ?
B7A B11A B12A B10A 139.89(17) . . . . ?
B2A B11A B12A B9A 59.5(2) . . . . ?
B6A B11A B12A B9A -3.8(2) . . . . ?
B7A B11A B12A B9A 99.97(17) . . . . ?
B10A B11A B12A B9A -39.92(16) . . . . ?
B2A B11A B12A B7A -40.44(15) . . . . ?
B6A B11A B12A B7A -103.73(17) . . . . ?
B10A B11A B12A B7A -139.89(17) . . . . ?
B2A B11A B12A B8A -3.1(2) . . . . ?
B6A B11A B12A B8A -66.4(2) . . . . ?
B7A B11A B12A B8A 37.30(15) . . . . ?
B10A B11A B12A B8A -102.59(18) . . . . ?
B4A B9A B12A B10A -99.28(19) . . . . ?
B8A B9A B12A B10A -140.10(17) . . . . ?
B5A B9A B12A B10A -35.80(16) . . . . ?
B4A B9A B12A B11A -59.5(2) . . . . ?
B8A B9A B12A B11A -100.36(17) . . . . ?
B5A B9A B12A B11A 3.9(2) . . . . ?
B10A B9A B12A B11A 39.74(16) . . . . ?
B4A B9A B12A B7A 3.7(2) . . . . ?
B8A B9A B12A B7A -37.15(15) . . . . ?
B5A B9A B12A B7A 67.1(2) . . . . ?
B10A B9A B12A B7A 102.95(18) . . . . ?
B4A B9A B12A B8A 40.83(16) . . . . ?
B5A B9A B12A B8A 104.30(18) . . . . ?
B10A B9A B12A B8A 140.10(17) . . . . ?
B2A B7A B12A B10A 3.4(2) . . . . ?
B8A B7A B12A B10A 101.49(18) . . . . ?
B11A B7A B12A B10A -36.44(16) . . . . ?
Ni1 B7A B12A B10A 73.7(2) . . . . ?
B2A B7A B12A B11A 39.88(14) . . . . ?
B8A B7A B12A B11A 137.94(17) . . . . ?
Ni1 B7A B12A B11A 110.17(17) . . . . ?
B2A B7A B12A B9A -60.97(19) . . . . ?
B8A B7A B12A B9A 37.09(16) . . . . ?
B11A B7A B12A B9A -100.85(18) . . . . ?
Ni1 B7A B12A B9A 9.3(2) . . . . ?
B2A B7A B12A B8A -98.06(16) . . . . ?
B11A B7A B12A B8A -137.94(17) . . . . ?
Ni1 B7A B12A B8A -27.77(15) . . . . ?
B9A B8A B12A B10A 36.39(17) . . . . ?
B7A B8A B12A B10A -101.59(18) . . . . ?
B4A B8A B12A B10A -3.4(2) . . . . ?
Ni1 B8A B12A B10A -73.9(2) . . . . ?
B9A B8A B12A B11A 100.49(18) . . . . ?
B7A B8A B12A B11A -37.49(16) . . . . ?
B4A B8A B12A B11A 60.7(2) . . . . ?
Ni1 B8A B12A B11A -9.8(2) . . . . ?
B7A B8A B12A B9A -137.98(17) . . . . ?
B4A B8A B12A B9A -39.82(15) . . . . ?
Ni1 B8A B12A B9A -110.32(18) . . . . ?
B9A B8A B12A B7A 137.98(17) . . . . ?
B4A B8A B12A B7A 98.16(16) . . . . ?
Ni1 B8A B12A B7A 27.66(14) . . . . ?
C2C C1C C2C C3C 0.37(19) 2_556 . . . ?
C3C N1C C3C C2C 0.38(19) 2_556 . . . ?
C4C N1C C3C C2C -179.62(19) . . . . ?
C1C C2C C3C N1C -0.8(4) . . . . ?
