# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_st3
_database_code_depnum_ccdc_archive 'CCDC 2007853'
loop_
_audit_author_name
_audit_author_address
'Kyrill Yu. Suponitsky'
;A N Nesmeyanov Institute of Organoelement Compounds, Moscow
Russia
;
_audit_update_record             
;
2020-06-03 deposited with the CCDC.	2020-08-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C10 H34 B18 Co N O, C3 H6 O'
_chemical_formula_sum            'C13 H40 B18 Co N O2'
_chemical_formula_weight         495.97

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'
Co Co 0.3494 0.9721 '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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   10.1302(3)
_cell_length_b                   16.2436(5)
_cell_length_c                   16.2491(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2673.81(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    9914
_cell_measurement_theta_min      2.37
_cell_measurement_theta_max      26.09

_exptl_crystal_description       prizm
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.232
_exptl_crystal_F_000             1032
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_exptl_absorpt_coefficient_mu    0.656
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.846
_exptl_absorpt_correction_T_max  0.912
_exptl_absorpt_process_details   'SADABS-2014/5 (Bruker,2014/5)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            72431
_diffrn_reflns_av_unetI/netI     0.0440
_diffrn_reflns_av_R_equivalents  0.0645
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.773
_diffrn_reflns_theta_max         29.847
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             7626
_reflns_number_gt                6586
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.791
_reflns_Friedel_fraction_max     0.988
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX (Bruker, 2014)'
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_structure_solution    'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_publication_material  
'SHELXL-2014/6 (Sheldrick, 2014) and PLATON (Spek, 2015)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0473P)²+0.1921P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 2636 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.008(5)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         7626
_refine_ls_number_parameters     321
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0368
_refine_ls_wR_factor_ref         0.0893
_refine_ls_wR_factor_gt          0.0835
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.062
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co -0.58137(3) -0.79623(2) -0.19558(2) 0.01343(9) Uani 1 1 d . . . . .
C1 C -0.6166(2) -0.73936(16) -0.08508(16) 0.0167(5) Uani 1 1 d . . . . .
H1 H -0.5219 -0.7403 -0.0495 0.020 Uiso 1 1 calc R U . . .
C2 C -0.6352(3) -0.67950(16) -0.16371(16) 0.0172(5) Uani 1 1 d . . . . .
H2 H -0.5543 -0.6374 -0.1846 0.021 Uiso 1 1 calc R U . . .
B4 B -0.7016(3) -0.82983(19) -0.09564(18) 0.0160(6) Uani 1 1 d . . . . .
H4 H -0.6725 -0.8910 -0.0695 0.019 Uiso 1 1 calc R U . . .
B5 B -0.7570(3) -0.7480(2) -0.0298(2) 0.0204(6) Uani 1 1 d . . . . .
H5 H -0.7612 -0.7567 0.0386 0.024 Uiso 1 1 calc R U . . .
B6 B -0.7109(3) -0.6527(2) -0.0722(2) 0.0203(6) Uani 1 1 d . . . . .
H6 H -0.6844 -0.5986 -0.0328 0.024 Uiso 1 1 calc R U . . .
B7 B -0.7369(3) -0.72244(17) -0.23671(19) 0.0162(6) Uani 1 1 d . . . . .
H7 H -0.7318 -0.7120 -0.3048 0.019 Uiso 1 1 calc R U . . .
B8 B -0.7880(3) -0.81914(17) -0.1926(2) 0.0151(5) Uani 1 1 d . . . . .
B9 B -0.8707(3) -0.7966(2) -0.09741(18) 0.0179(5) Uani 1 1 d . . . . .
H9 H -0.9520 -0.8370 -0.0739 0.022 Uiso 1 1 calc R U . . .
B10 B -0.8752(3) -0.68737(19) -0.0836(2) 0.0207(6) Uani 1 1 d . . . . .
H10 H -0.9597 -0.6561 -0.0520 0.025 Uiso 1 1 calc R U . . .
B11 B -0.7906(3) -0.6422(2) -0.1685(2) 0.0212(6) Uani 1 1 d . . . . .
H11 H -0.8170 -0.5798 -0.1930 0.025 Uiso 1 1 calc R U . . .
B12 B -0.8917(3) -0.73013(18) -0.18452(19) 0.0182(6) Uani 1 1 d . . . . .
H12 H -0.9872 -0.7263 -0.2190 0.022 Uiso 1 1 calc R U . . .
C1' C -0.3807(2) -0.77948(15) -0.20087(17) 0.0166(5) Uani 1 1 d . . . . .
H1' H -0.3568 -0.7263 -0.1597 0.020 Uiso 1 1 calc R U . . .
C2' C -0.4224(3) -0.86748(15) -0.16335(16) 0.0169(5) Uani 1 1 d . . . . .
H2' H -0.4282 -0.8778 -0.0953 0.020 Uiso 1 1 calc R U . . .
B4' B -0.4577(3) -0.75967(19) -0.29242(18) 0.0172(6) Uani 1 1 d . . . . .
H4' H -0.4855 -0.6975 -0.3166 0.021 Uiso 1 1 calc R U . . .
B5' B -0.2872(3) -0.7896(2) -0.28674(18) 0.0208(6) Uani 1 1 d . . . . .
H5' H -0.2067 -0.7463 -0.3057 0.025 Uiso 1 1 calc R U . . .
B6' B -0.2644(3) -0.85701(19) -0.2022(2) 0.0206(6) Uani 1 1 d . . . . .
H6' H -0.1709 -0.8586 -0.1654 0.025 Uiso 1 1 calc R U . . .
B7' B -0.5326(3) -0.91744(18) -0.22520(18) 0.0170(6) Uani 1 1 d . . . . .
H7' H -0.6107 -0.9615 -0.2042 0.020 Uiso 1 1 calc R U . . .
B8' B -0.5552(3) -0.85033(18) -0.31272(19) 0.0170(6) Uani 1 1 d . . . . .
H8' H -0.6469 -0.8498 -0.3513 0.020 Uiso 1 1 calc R U . . .
B9' B -0.3946(3) -0.83741(19) -0.35889(19) 0.0197(6) Uani 1 1 d . . . . .
H9' H -0.3841 -0.8267 -0.4267 0.024 Uiso 1 1 calc R U . . .
B10' B -0.2768(3) -0.89762(19) -0.3035(2) 0.0212(6) Uani 1 1 d . . . . .
H10' H -0.1903 -0.9269 -0.3350 0.025 Uiso 1 1 calc R U . . .
B11' B -0.3612(3) -0.9458(2) -0.22051(19) 0.0203(6) Uani 1 1 d . . . . .
H11' H -0.3299 -1.0070 -0.1954 0.024 Uiso 1 1 calc R U . . .
B12' B -0.4414(3) -0.93504(19) -0.31730(19) 0.0200(6) Uani 1 1 d . . . . .
H12' H -0.4624 -0.9896 -0.3574 0.024 Uiso 1 1 calc R U . . .
O1 O -0.8599(2) -0.98126(12) -0.14868(12) 0.0236(4) Uani 1 1 d . . . . .
N1 N -0.8421(2) -0.88800(14) -0.24644(14) 0.0176(5) Uani 1 1 d . . . . .
H1N H -0.8551 -0.8750 -0.2984 0.021 Uiso 1 1 calc R U . . .
C3 C -0.8719(3) -0.96304(17) -0.22655(17) 0.0197(6) Uani 1 1 d . . . . .
C4 C -0.9080(3) -1.02549(16) -0.29050(18) 0.0247(6) Uani 1 1 d . . . . .
H4A H -0.9548 -0.9980 -0.3364 0.030 Uiso 1 1 calc R U . . .
H4B H -0.9684 -1.0668 -0.2662 0.030 Uiso 1 1 calc R U . . .
C5 C -0.7843(3) -1.0687(2) -0.3235(2) 0.0331(8) Uani 1 1 d . . . . .
H5A H -0.8100 -1.1098 -0.3647 0.050 Uiso 1 1 calc R U . . .
H5B H -0.7381 -1.0960 -0.2781 0.050 Uiso 1 1 calc R U . . .
H5C H -0.7257 -1.0280 -0.3489 0.050 Uiso 1 1 calc R U . . .
C6 C -0.9037(3) -1.05981(18) -0.11302(19) 0.0272(6) Uani 1 1 d . . . . .
H6A H -0.8844 -1.1059 -0.1520 0.033 Uiso 1 1 calc R U . . .
C7 C -0.8222(5) -1.0691(3) -0.0370(3) 0.0683(16) Uani 1 1 d . . . . .
H7A H -0.7287 -1.0720 -0.0521 0.103 Uiso 1 1 calc R U . . .
H7B H -0.8478 -1.1196 -0.0083 0.103 Uiso 1 1 calc R U . . .
H7C H -0.8368 -1.0216 -0.0009 0.103 Uiso 1 1 calc R U . . .
C8 C -1.0507(3) -1.0550(2) -0.0970(2) 0.0418(9) Uani 1 1 d . . . . .
H8A H -1.0970 -1.0429 -0.1485 0.063 Uiso 1 1 calc R U . . .
H8B H -1.0686 -1.0112 -0.0570 0.063 Uiso 1 1 calc R U . . .
H8C H -1.0818 -1.1077 -0.0750 0.063 Uiso 1 1 calc R U . . .
O1S O -0.5748(3) -1.12623(17) 0.08156(13) 0.0435(6) Uani 1 1 d . . . . .
C1S C -0.4846(3) -1.1312(2) 0.03338(19) 0.0313(7) Uani 1 1 d . . . . .
C2S C -0.4171(4) -1.2106(3) 0.0173(3) 0.0627(12) Uani 1 1 d . . . . .
H2SA H -0.4548 -1.2534 0.0528 0.094 Uiso 1 1 calc R U . . .
H2SB H -0.3226 -1.2049 0.0291 0.094 Uiso 1 1 calc R U . . .
H2SC H -0.4292 -1.2261 -0.0405 0.094 Uiso 1 1 calc R U . . .
C3S C -0.4335(5) -1.0578(3) -0.0118(2) 0.0601(12) Uani 1 1 d . . . . .
H3SA H -0.4852 -1.0092 0.0034 0.090 Uiso 1 1 calc R U . . .
H3SB H -0.4410 -1.0672 -0.0712 0.090 Uiso 1 1 calc R U . . .
H3SC H -0.3406 -1.0489 0.0026 0.090 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Co1 C2 2.040(3) . ?
Co1 C1 2.051(3) . ?
Co1 C2' 2.051(3) . ?
Co1 C1' 2.052(2) . ?
Co1 B7' 2.086(3) . ?
Co1 B7 2.089(3) . ?
Co1 B4' 2.097(3) . ?
Co1 B4 2.102(3) . ?
Co1 B8' 2.113(3) . ?
Co1 B8 2.126(3) . ?
C1 C2 1.617(4) . ?
C1 B5 1.689(4) . ?
C1 B4 1.712(4) . ?
C1 B6 1.714(4) . ?
C1 H1 1.1200 . ?
C2 B11 1.689(4) . ?
C2 B7 1.718(4) . ?
C2 B6 1.729(4) . ?
C2 H2 1.1200 . ?
B4 B5 1.796(4) . ?
B4 B9 1.797(4) . ?
B4 B8 1.811(4) . ?
B4 H4 1.1200 . ?
B5 B6 1.758(5) . ?
B5 B9 1.776(4) . ?
B5 B10 1.781(5) . ?
B5 H5 1.1200 . ?
B6 B10 1.767(4) . ?
B6 B11 1.770(5) . ?
B6 H6 1.1200 . ?
B7 B12 1.787(4) . ?
B7 B11 1.796(4) . ?
B7 B8 1.802(4) . ?
B7 H7 1.1200 . ?
B8 N1 1.522(4) . ?
B8 B12 1.792(4) . ?
B8 B9 1.797(4) . ?
B9 B10 1.789(4) . ?
B9 B12 1.793(4) . ?
B9 H9 1.1200 . ?
B10 B11 1.783(4) . ?
B10 B12 1.788(4) . ?
B10 H10 1.1200 . ?
B11 B12 1.777(4) . ?
B11 H11 1.1200 . ?
B12 H12 1.1200 . ?
C1' C2' 1.610(3) . ?
C1' B5' 1.695(4) . ?
C1' B4' 1.710(4) . ?
C1' B6' 1.725(4) . ?
C1' H1' 1.1200 . ?
C2' B11' 1.692(4) . ?
C2' B7' 1.707(4) . ?
C2' B6' 1.729(4) . ?
C2' H2' 1.1200 . ?
B4' B9' 1.781(4) . ?
B4' B5' 1.797(4) . ?
B4' B8' 1.804(4) . ?
B4' H4' 1.1200 . ?
B5' B6' 1.772(4) . ?
B5' B9' 1.778(4) . ?
B5' B10' 1.779(4) . ?
B5' H5' 1.1200 . ?
B6' B11' 1.769(4) . ?
B6' B10' 1.778(5) . ?
B6' H6' 1.1200 . ?
B7' B12' 1.782(4) . ?
B7' B11' 1.798(4) . ?
B7' B8' 1.806(4) . ?
B7' H7' 1.1200 . ?
B8' B12' 1.797(4) . ?
B8' B9' 1.804(4) . ?
B8' H8' 1.1200 . ?
B9' B10' 1.786(4) . ?
B9' B12' 1.788(4) . ?
B9' H9' 1.1200 . ?
B10' B11' 1.778(4) . ?
B10' B12' 1.789(4) . ?
B10' H10' 1.1200 . ?
B11' B12' 1.779(4) . ?
B11' H11' 1.1200 . ?
B12' H12' 1.1200 . ?
O1 C3 1.305(3) . ?
O1 C6 1.470(3) . ?
N1 C3 1.297(3) . ?
N1 H1N 0.8800 . ?
C3 C4 1.497(4) . ?
C4 C5 1.534(4) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.493(5) . ?
C6 C8 1.514(5) . ?
C6 H6A 1.0000 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
O1S C1S 1.206(4) . ?
C1S C2S 1.483(5) . ?
C1S C3S 1.493(5) . ?
C2S H2SA 0.9800 . ?
C2S H2SB 0.9800 . ?
C2S H2SC 0.9800 . ?
C3S H3SA 0.9800 . ?
C3S H3SB 0.9800 . ?
C3S H3SC 0.9800 . ?

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
C2 Co1 C1 46.56(11) . . ?
C2 Co1 C2' 132.04(11) . . ?
C1 Co1 C2' 99.63(10) . . ?
C2 Co1 C1' 98.76(10) . . ?
C1 Co1 C1' 98.58(10) . . ?
C2' Co1 C1' 46.21(10) . . ?
C2 Co1 B7' 177.65(12) . . ?
C1 Co1 B7' 131.95(11) . . ?
C2' Co1 B7' 48.73(11) . . ?
C1' Co1 B7' 83.16(11) . . ?
C2 Co1 B7 49.17(11) . . ?
C1 Co1 B7 83.71(11) . . ?
C2' Co1 B7 175.86(12) . . ?
C1' Co1 B7 131.08(11) . . ?
B7' Co1 B7 130.26(12) . . ?
C2 Co1 B4' 94.99(11) . . ?
C1 Co1 B4' 129.30(11) . . ?
C2' Co1 B4' 83.25(11) . . ?
C1' Co1 B4' 48.67(11) . . ?
B7' Co1 B4' 87.29(12) . . ?
B7 Co1 B4' 92.74(11) . . ?
C2 Co1 B4 83.70(11) . . ?
C1 Co1 B4 48.67(11) . . ?
C2' Co1 B4 96.37(11) . . ?
C1' Co1 B4 129.82(11) . . ?
B7' Co1 B4 94.04(12) . . ?
B7 Co1 B4 87.67(12) . . ?
B4' Co1 B4 177.87(12) . . ?
C2 Co1 B8' 130.45(11) . . ?
C1 Co1 B8' 176.28(11) . . ?
C2' Co1 B8' 84.09(11) . . ?
C1' Co1 B8' 83.88(11) . . ?
B7' Co1 B8' 50.95(12) . . ?
B7 Co1 B8' 92.57(11) . . ?
B4' Co1 B8' 50.73(11) . . ?
B4 Co1 B8' 131.34(11) . . ?
C2 Co1 B8 83.89(11) . . ?
C1 Co1 B8 83.55(11) . . ?
C2' Co1 B8 131.93(11) . . ?
C1' Co1 B8 177.31(11) . . ?
B7' Co1 B8 94.20(11) . . ?
B7 Co1 B8 50.62(11) . . ?
B4' Co1 B8 130.88(12) . . ?
B4 Co1 B8 50.72(12) . . ?
B8' Co1 B8 94.07(11) . . ?
C2 C1 B5 111.9(2) . . ?
C2 C1 B4 112.2(2) . . ?
B5 C1 B4 63.77(17) . . ?
C2 C1 B6 62.47(17) . . ?
B5 C1 B6 62.20(18) . . ?
B4 C1 B6 115.9(2) . . ?
C2 C1 Co1 66.38(13) . . ?
B5 C1 Co1 125.10(18) . . ?
B4 C1 Co1 67.23(13) . . ?
B6 C1 Co1 125.05(18) . . ?
C2 C1 H1 121.1 . . ?
B5 C1 H1 116.5 . . ?
B4 C1 H1 118.1 . . ?
B6 C1 H1 115.2 . . ?
Co1 C1 H1 107.2 . . ?
C1 C2 B11 111.2(2) . . ?
C1 C2 B7 111.8(2) . . ?
B11 C2 B7 63.60(18) . . ?
C1 C2 B6 61.52(17) . . ?
B11 C2 B6 62.39(18) . . ?
B7 C2 B6 115.5(2) . . ?
C1 C2 Co1 67.06(13) . . ?
B11 C2 Co1 124.85(18) . . ?
B7 C2 Co1 66.91(13) . . ?
B6 C2 Co1 124.81(18) . . ?
C1 C2 H2 121.4 . . ?
B11 C2 H2 116.7 . . ?
B7 C2 H2 118.4 . . ?
B6 C2 H2 115.6 . . ?
Co1 C2 H2 107.1 . . ?
C1 B4 B5 57.49(16) . . ?
C1 B4 B9 102.9(2) . . ?
B5 B4 B9 59.26(17) . . ?
C1 B4 B8 104.4(2) . . ?
B5 B4 B8 107.2(2) . . ?
B9 B4 B8 59.76(16) . . ?
C1 B4 Co1 64.10(13) . . ?
B5 B4 Co1 116.71(18) . . ?
B9 B4 Co1 117.52(18) . . ?
B8 B4 Co1 65.34(13) . . ?
C1 B4 H4 126.3 . . ?
B5 B4 H4 120.8 . . ?
B9 B4 H4 121.6 . . ?
B8 B4 H4 122.8 . . ?
Co1 B4 H4 111.8 . . ?
C1 B5 B6 59.60(17) . . ?
C1 B5 B9 104.7(2) . . ?
B6 B5 B9 108.7(2) . . ?
C1 B5 B10 105.0(2) . . ?
B6 B5 B10 59.91(18) . . ?
B9 B5 B10 60.38(17) . . ?
C1 B5 B4 58.74(16) . . ?
B6 B5 B4 109.6(2) . . ?
B9 B5 B4 60.38(17) . . ?
B10 B5 B4 109.1(2) . . ?
C1 B5 H5 124.8 . . ?
B6 B5 H5 120.6 . . ?
B9 B5 H5 122.2 . . ?
B10 B5 H5 122.1 . . ?
B4 B5 H5 120.6 . . ?
C1 B6 C2 56.01(16) . . ?
C1 B6 B5 58.19(17) . . ?
C2 B6 B5 103.5(2) . . ?
C1 B6 B10 104.5(2) . . ?
C2 B6 B10 104.3(2) . . ?
B5 B6 B10 60.69(18) . . ?
C1 B6 B11 103.0(2) . . ?
C2 B6 B11 57.68(17) . . ?
B5 B6 B11 108.1(2) . . ?
B10 B6 B11 60.52(18) . . ?
C1 B6 H6 125.5 . . ?
C2 B6 H6 125.6 . . ?
B5 B6 H6 122.1 . . ?
B10 B6 H6 122.4 . . ?
B11 B6 H6 122.6 . . ?
C2 B7 B12 103.1(2) . . ?
C2 B7 B11 57.39(16) . . ?
B12 B7 B11 59.47(16) . . ?
C2 B7 B8 104.6(2) . . ?
B12 B7 B8 59.89(16) . . ?
B11 B7 B8 107.5(2) . . ?
C2 B7 Co1 63.92(13) . . ?
B12 B7 Co1 118.01(18) . . ?
B11 B7 Co1 116.62(18) . . ?
B8 B7 Co1 65.75(12) . . ?
C2 B7 H7 126.4 . . ?
B12 B7 H7 121.3 . . ?
B11 B7 H7 120.9 . . ?
B8 B7 H7 122.5 . . ?
Co1 B7 H7 111.6 . . ?
N1 B8 B12 115.1(2) . . ?
N1 B8 B9 118.4(2) . . ?
B12 B8 B9 59.93(17) . . ?
N1 B8 B7 121.0(2) . . ?
B12 B8 B7 59.63(16) . . ?
B9 B8 B7 107.4(2) . . ?
N1 B8 B4 127.1(2) . . ?
B12 B8 B4 107.3(2) . . ?
B9 B8 B4 59.73(16) . . ?
B7 B8 B4 106.90(19) . . ?
N1 B8 Co1 118.06(18) . . ?
B12 B8 Co1 115.94(16) . . ?
B9 B8 Co1 116.28(17) . . ?
B7 B8 Co1 63.63(12) . . ?
B4 B8 Co1 63.94(12) . . ?
B5 B9 B10 59.93(18) . . ?
B5 B9 B12 107.3(2) . . ?
B10 B9 B12 59.91(17) . . ?
B5 B9 B4 60.36(17) . . ?
B10 B9 B4 108.7(2) . . ?
B12 B9 B4 107.9(2) . . ?
B5 B9 B8 108.71(19) . . ?
B10 B9 B8 108.8(2) . . ?
B12 B9 B8 59.89(16) . . ?
B4 B9 B8 60.52(16) . . ?
B5 B9 H9 121.7 . . ?
B10 B9 H9 121.3 . . ?
B12 B9 H9 122.3 . . ?
B4 B9 H9 121.3 . . ?
B8 B9 H9 121.1 . . ?
B6 B10 B5 59.40(18) . . ?
B6 B10 B11 59.84(18) . . ?
B5 B10 B11 106.6(2) . . ?
B6 B10 B12 108.0(2) . . ?
B5 B10 B12 107.3(2) . . ?
B11 B10 B12 59.69(17) . . ?
B6 B10 B9 107.8(2) . . ?
B5 B10 B9 59.69(17) . . ?
B11 B10 B9 107.4(2) . . ?
B12 B10 B9 60.16(17) . . ?
B6 B10 H10 121.8 . . ?
B5 B10 H10 122.6 . . ?
B11 B10 H10 122.4 . . ?
B12 B10 H10 121.7 . . ?
B9 B10 H10 121.8 . . ?
C2 B11 B6 59.93(17) . . ?
C2 B11 B12 104.8(2) . . ?
B6 B11 B12 108.3(2) . . ?
C2 B11 B10 105.3(2) . . ?
B6 B11 B10 59.64(18) . . ?
B12 B11 B10 60.31(18) . . ?
C2 B11 B7 59.01(16) . . ?
B6 B11 B7 109.7(2) . . ?
B12 B11 B7 60.03(16) . . ?
B10 B11 B7 108.9(2) . . ?
C2 B11 H11 124.3 . . ?
B6 B11 H11 120.7 . . ?
B12 B11 H11 122.5 . . ?
B10 B11 H11 122.2 . . ?
B7 B11 H11 120.7 . . ?
B11 B12 B7 60.50(16) . . ?
B11 B12 B10 60.00(17) . . ?
B7 B12 B10 109.0(2) . . ?
B11 B12 B8 108.8(2) . . ?
B7 B12 B8 60.48(16) . . ?
B10 B12 B8 109.0(2) . . ?
B11 B12 B9 107.5(2) . . ?
B7 B12 B9 108.2(2) . . ?
B10 B12 B9 59.93(17) . . ?
B8 B12 B9 60.18(17) . . ?
B11 B12 H12 121.7 . . ?
B7 B12 H12 121.1 . . ?
B10 B12 H12 121.2 . . ?
B8 B12 H12 121.0 . . ?
B9 B12 H12 122.1 . . ?
C2' C1' B5' 111.9(2) . . ?
C2' C1' B4' 112.1(2) . . ?
B5' C1' B4' 63.70(17) . . ?
C2' C1' B6' 62.32(16) . . ?
B5' C1' B6' 62.43(18) . . ?
B4' C1' B6' 116.0(2) . . ?
C2' C1' Co1 66.86(13) . . ?
B5' C1' Co1 125.13(17) . . ?
B4' C1' Co1 67.03(12) . . ?
B6' C1' Co1 125.47(17) . . ?
C2' C1' H1' 121.0 . . ?
B5' C1' H1' 116.5 . . ?
B4' C1' H1' 118.3 . . ?
B6' C1' H1' 115.0 . . ?
Co1 C1' H1' 107.0 . . ?
C1' C2' B11' 111.3(2) . . ?
C1' C2' B7' 111.7(2) . . ?
B11' C2' B7' 63.84(17) . . ?
C1' C2' B6' 62.09(16) . . ?
B11' C2' B6' 62.27(18) . . ?
B7' C2' B6' 115.9(2) . . ?
C1' C2' Co1 66.93(12) . . ?
B11' C2' Co1 124.85(18) . . ?
B7' C2' Co1 66.70(13) . . ?
B6' C2' Co1 125.32(17) . . ?
C1' C2' H2' 121.4 . . ?
B11' C2' H2' 116.7 . . ?
B7' C2' H2' 118.4 . . ?
B6' C2' H2' 115.1 . . ?
Co1 C2' H2' 107.1 . . ?
C1' B4' B9' 103.3(2) . . ?
C1' B4' B5' 57.73(15) . . ?
B9' B4' B5' 59.61(17) . . ?
C1' B4' B8' 104.8(2) . . ?
B9' B4' B8' 60.45(16) . . ?
B5' B4' B8' 108.4(2) . . ?
C1' B4' Co1 64.30(13) . . ?
B9' B4' Co1 117.96(18) . . ?
B5' B4' Co1 117.33(18) . . ?
B8' B4' Co1 65.09(13) . . ?
C1' B4' H4' 126.1 . . ?
B9' B4' H4' 121.1 . . ?
B5' B4' H4' 120.2 . . ?
B8' B4' H4' 122.3 . . ?
Co1 B4' H4' 111.6 . . ?
C1' B5' B6' 59.63(16) . . ?
C1' B5' B9' 104.06(19) . . ?
B6' B5' B9' 108.7(2) . . ?
C1' B5' B10' 104.7(2) . . ?
B6' B5' B10' 60.08(19) . . ?
B9' B5' B10' 60.27(18) . . ?
C1' B5' B4' 58.57(16) . . ?
B6' B5' B4' 109.4(2) . . ?
B9' B5' B4' 59.74(16) . . ?
B10' B5' B4' 108.4(2) . . ?
C1' B5' H5' 125.0 . . ?
B6' B5' H5' 120.4 . . ?
B9' B5' H5' 122.6 . . ?
B10' B5' H5' 122.3 . . ?
B4' B5' H5' 121.1 . . ?
C1' B6' C2' 55.58(14) . . ?
C1' B6' B11' 102.6(2) . . ?
C2' B6' B11' 57.86(16) . . ?
C1' B6' B5' 57.95(16) . . ?
C2' B6' B5' 102.9(2) . . ?
B11' B6' B5' 107.5(2) . . ?
C1' B6' B10' 103.5(2) . . ?
C2' B6' B10' 103.7(2) . . ?
B11' B6' B10' 60.18(18) . . ?
B5' B6' B10' 60.16(18) . . ?
C1' B6' H6' 126.0 . . ?
C2' B6' H6' 125.9 . . ?
B11' B6' H6' 122.7 . . ?
B5' B6' H6' 122.5 . . ?
B10' B6' H6' 123.0 . . ?
C2' B7' B12' 103.4(2) . . ?
C2' B7' B11' 57.67(16) . . ?
B12' B7' B11' 59.59(17) . . ?
C2' B7' B8' 105.1(2) . . ?
B12' B7' B8' 60.10(16) . . ?
B11' B7' B8' 108.1(2) . . ?
C2' B7' Co1 64.57(13) . . ?
B12' B7' Co1 117.91(18) . . ?
B11' B7' Co1 117.43(18) . . ?
B8' B7' Co1 65.29(13) . . ?
C2' B7' H7' 125.9 . . ?
B12' B7' H7' 121.3 . . ?
B11' B7' H7' 120.4 . . ?
B8' B7' H7' 122.4 . . ?
Co1 B7' H7' 111.4 . . ?
B12' B8' B4' 106.33(19) . . ?
B12' B8' B9' 59.53(16) . . ?
B4' B8' B9' 59.14(16) . . ?
B12' B8' B7' 59.27(16) . . ?
B4' B8' B7' 106.2(2) . . ?
B9' B8' B7' 106.4(2) . . ?
B12' B8' Co1 115.86(18) . . ?
B4' B8' Co1 64.17(13) . . ?
B9' B8' Co1 116.05(17) . . ?
B7' B8' Co1 63.75(13) . . ?
B12' B8' H8' 121.0 . . ?
B4' B8' H8' 123.3 . . ?
B9' B8' H8' 120.9 . . ?
B7' B8' H8' 123.4 . . ?
Co1 B8' H8' 113.4 . . ?
B5' B9' B4' 60.65(17) . . ?
B5' B9' B10' 59.90(17) . . ?
B4' B9' B10' 108.8(2) . . ?
B5' B9' B12' 107.5(2) . . ?
B4' B9' B12' 107.7(2) . . ?
B10' B9' B12' 60.08(17) . . ?
B5' B9' B8' 109.2(2) . . ?
B4' B9' B8' 60.41(16) . . ?
B10' B9' B8' 109.2(2) . . ?
B12' B9' B8' 60.03(17) . . ?
B5' B9' H9' 121.5 . . ?
B4' B9' H9' 121.4 . . ?
B10' B9' H9' 121.1 . . ?
B12' B9' H9' 122.3 . . ?
B8' B9' H9' 120.8 . . ?
B6' B10' B11' 59.66(18) . . ?
B6' B10' B5' 59.77(18) . . ?
B11' B10' B5' 106.8(2) . . ?
B6' B10' B9' 108.1(2) . . ?
B11' B10' B9' 107.5(2) . . ?
B5' B10' B9' 59.83(17) . . ?
B6' B10' B12' 107.9(2) . . ?
B11' B10' B12' 59.81(17) . . ?
B5' B10' B12' 107.4(2) . . ?
B9' B10' B12' 60.01(17) . . ?
B6' B10' H10' 121.7 . . ?
B11' B10' H10' 122.4 . . ?
B5' B10' H10' 122.4 . . ?
B9' B10' H10' 121.7 . . ?
B12' B10' H10' 121.8 . . ?
C2' B11' B6' 59.88(17) . . ?
C2' B11' B10' 105.2(2) . . ?
B6' B11' B10' 60.16(19) . . ?
C2' B11' B12' 104.1(2) . . ?
B6' B11' B12' 108.8(2) . . ?
B10' B11' B12' 60.40(17) . . ?
C2' B11' B7' 58.48(16) . . ?
B6' B11' B7' 109.5(2) . . ?
B10' B11' B7' 108.6(2) . . ?
B12' B11' B7' 59.76(17) . . ?
C2' B11' H11' 124.8 . . ?
B6' B11' H11' 120.3 . . ?
B10' B11' H11' 122.0 . . ?
B12' B11' H11' 122.5 . . ?
B7' B11' H11' 121.1 . . ?
B11' B12' B7' 60.65(17) . . ?
B11' B12' B9' 107.5(2) . . ?
B7' B12' B9' 108.2(2) . . ?
B11' B12' B10' 59.79(18) . . ?
B7' B12' B10' 108.9(2) . . ?
B9' B12' B10' 59.91(17) . . ?
B11' B12' B8' 109.4(2) . . ?
B7' B12' B8' 60.63(17) . . ?
B9' B12' B8' 60.45(16) . . ?
B10' B12' B8' 109.4(2) . . ?
B11' B12' H12' 121.6 . . ?
B7' B12' H12' 121.1 . . ?
B9' B12' H12' 122.1 . . ?
B10' B12' H12' 121.2 . . ?
B8' B12' H12' 120.5 . . ?
C3 O1 C6 123.4(2) . . ?
C3 N1 B8 129.1(2) . . ?
C3 N1 H1N 115.4 . . ?
B8 N1 H1N 115.4 . . ?
N1 C3 O1 115.7(2) . . ?
N1 C3 C4 121.4(3) . . ?
O1 C3 C4 122.8(3) . . ?
C3 C4 C5 110.7(2) . . ?
C3 C4 H4A 109.5 . . ?
C5 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C5 C4 H4B 109.5 . . ?
H4A C4 H4B 108.1 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
O1 C6 C7 104.3(3) . . ?
O1 C6 C8 108.7(3) . . ?
C7 C6 C8 114.0(3) . . ?
O1 C6 H6A 109.9 . . ?
C7 C6 H6A 109.9 . . ?
C8 C6 H6A 109.9 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O1S C1S C2S 121.4(4) . . ?
O1S C1S C3S 121.9(4) . . ?
C2S C1S C3S 116.6(4) . . ?
C1S C2S H2SA 109.5 . . ?
C1S C2S H2SB 109.5 . . ?
H2SA C2S H2SB 109.5 . . ?
C1S C2S H2SC 109.5 . . ?
H2SA C2S H2SC 109.5 . . ?
H2SB C2S H2SC 109.5 . . ?
C1S C3S H3SA 109.5 . . ?
C1S C3S H3SB 109.5 . . ?
H3SA C3S H3SB 109.5 . . ?
C1S C3S H3SC 109.5 . . ?
H3SA C3S H3SC 109.5 . . ?
H3SB C3S H3SC 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
B5 C1 C2 B11 0.0(3) . . . . ?
B4 C1 C2 B11 69.5(3) . . . . ?
B6 C1 C2 B11 -39.1(2) . . . . ?
Co1 C1 C2 B11 120.1(2) . . . . ?
B5 C1 C2 B7 -69.0(3) . . . . ?
B4 C1 C2 B7 0.5(3) . . . . ?
B6 C1 C2 B7 -108.1(2) . . . . ?
Co1 C1 C2 B7 51.10(16) . . . . ?
B5 C1 C2 B6 39.1(2) . . . . ?
B4 C1 C2 B6 108.6(2) . . . . ?
Co1 C1 C2 B6 159.18(17) . . . . ?
B5 C1 C2 Co1 -120.1(2) . . . . ?
B4 C1 C2 Co1 -50.57(17) . . . . ?
B6 C1 C2 Co1 -159.18(17) . . . . ?
C2 C1 B4 B5 -104.3(2) . . . . ?
B6 C1 B4 B5 -35.2(2) . . . . ?
Co1 C1 B4 B5 -154.43(18) . . . . ?
C2 C1 B4 B9 -64.4(2) . . . . ?
B5 C1 B4 B9 39.86(19) . . . . ?
B6 C1 B4 B9 4.7(3) . . . . ?
Co1 C1 B4 B9 -114.57(18) . . . . ?
C2 C1 B4 B8 -2.8(3) . . . . ?
B5 C1 B4 B8 101.5(2) . . . . ?
B6 C1 B4 B8 66.3(3) . . . . ?
Co1 C1 B4 B8 -52.91(15) . . . . ?
C2 C1 B4 Co1 50.13(16) . . . . ?
B5 C1 B4 Co1 154.43(18) . . . . ?
B6 C1 B4 Co1 119.2(2) . . . . ?
C2 C1 B5 B6 -39.2(2) . . . . ?
B4 C1 B5 B6 -144.1(2) . . . . ?
Co1 C1 B5 B6 -115.0(2) . . . . ?
C2 C1 B5 B9 64.1(3) . . . . ?
B4 C1 B5 B9 -40.8(2) . . . . ?
B6 C1 B5 B9 103.3(2) . . . . ?
Co1 C1 B5 B9 -11.7(3) . . . . ?
C2 C1 B5 B10 1.4(3) . . . . ?
B4 C1 B5 B10 -103.5(2) . . . . ?
B6 C1 B5 B10 40.6(2) . . . . ?
Co1 C1 B5 B10 -74.4(3) . . . . ?
C2 C1 B5 B4 104.9(2) . . . . ?
B6 C1 B5 B4 144.1(2) . . . . ?
Co1 C1 B5 B4 29.1(2) . . . . ?
B9 B4 B5 C1 -133.4(2) . . . . ?
B8 B4 B5 C1 -96.3(2) . . . . ?
Co1 B4 B5 C1 -25.77(18) . . . . ?
C1 B4 B5 B6 32.4(2) . . . . ?
B9 B4 B5 B6 -100.9(2) . . . . ?
B8 B4 B5 B6 -63.9(3) . . . . ?
Co1 B4 B5 B6 6.7(3) . . . . ?
C1 B4 B5 B9 133.4(2) . . . . ?
B8 B4 B5 B9 37.05(19) . . . . ?
Co1 B4 B5 B9 107.6(2) . . . . ?
C1 B4 B5 B10 96.3(2) . . . . ?
B9 B4 B5 B10 -37.0(2) . . . . ?
B8 B4 B5 B10 0.0(3) . . . . ?
Co1 B4 B5 B10 70.6(3) . . . . ?
B5 C1 B6 C2 -138.5(2) . . . . ?
B4 C1 B6 C2 -102.8(2) . . . . ?
Co1 C1 B6 C2 -23.44(19) . . . . ?
C2 C1 B6 B5 138.5(2) . . . . ?
B4 C1 B6 B5 35.8(2) . . . . ?
Co1 C1 B6 B5 115.1(2) . . . . ?
C2 C1 B6 B10 97.6(2) . . . . ?
B5 C1 B6 B10 -40.9(2) . . . . ?
B4 C1 B6 B10 -5.2(3) . . . . ?
Co1 C1 B6 B10 74.2(3) . . . . ?
C2 C1 B6 B11 35.13(19) . . . . ?
B5 C1 B6 B11 -103.4(2) . . . . ?
B4 C1 B6 B11 -67.7(3) . . . . ?
Co1 C1 B6 B11 11.7(3) . . . . ?
B11 C2 B6 C1 138.4(2) . . . . ?
B7 C2 B6 C1 102.1(2) . . . . ?
Co1 C2 B6 C1 23.5(2) . . . . ?
C1 C2 B6 B5 -35.36(19) . . . . ?
B11 C2 B6 B5 103.1(2) . . . . ?
B7 C2 B6 B5 66.7(3) . . . . ?
Co1 C2 B6 B5 -11.9(3) . . . . ?
C1 C2 B6 B10 -98.1(2) . . . . ?
B11 C2 B6 B10 40.4(2) . . . . ?
B7 C2 B6 B10 4.0(3) . . . . ?
Co1 C2 B6 B10 -74.6(3) . . . . ?
C1 C2 B6 B11 -138.4(2) . . . . ?
B7 C2 B6 B11 -36.4(2) . . . . ?
Co1 C2 B6 B11 -115.0(2) . . . . ?
B9 B5 B6 C1 -96.4(2) . . . . ?
B10 B5 B6 C1 -133.4(2) . . . . ?
B4 B5 B6 C1 -32.1(2) . . . . ?
C1 B5 B6 C2 34.37(19) . . . . ?
B9 B5 B6 C2 -62.1(2) . . . . ?
B10 B5 B6 C2 -99.0(2) . . . . ?
B4 B5 B6 C2 2.3(3) . . . . ?
C1 B5 B6 B10 133.4(2) . . . . ?
B9 B5 B6 B10 36.9(2) . . . . ?
B4 B5 B6 B10 101.2(2) . . . . ?
C1 B5 B6 B11 94.4(2) . . . . ?
B9 B5 B6 B11 -2.1(3) . . . . ?
B10 B5 B6 B11 -39.0(2) . . . . ?
B4 B5 B6 B11 62.3(3) . . . . ?
C1 C2 B7 B12 63.8(2) . . . . ?
B11 C2 B7 B12 -39.83(19) . . . . ?
B6 C2 B7 B12 -3.9(3) . . . . ?
Co1 C2 B7 B12 115.03(18) . . . . ?
C1 C2 B7 B11 103.7(2) . . . . ?
B6 C2 B7 B11 35.9(2) . . . . ?
Co1 C2 B7 B11 154.86(18) . . . . ?
C1 C2 B7 B8 2.0(3) . . . . ?
B11 C2 B7 B8 -101.7(2) . . . . ?
B6 C2 B7 B8 -65.8(3) . . . . ?
Co1 C2 B7 B8 53.17(15) . . . . ?
C1 C2 B7 Co1 -51.18(16) . . . . ?
B11 C2 B7 Co1 -154.86(18) . . . . ?
B6 C2 B7 Co1 -119.0(2) . . . . ?
C2 B7 B8 N1 -160.4(2) . . . . ?
B12 B7 B8 N1 102.7(2) . . . . ?
B11 B7 B8 N1 139.8(2) . . . . ?
Co1 B7 B8 N1 -108.3(2) . . . . ?
C2 B7 B8 B12 96.9(2) . . . . ?
B11 B7 B8 B12 37.02(19) . . . . ?
Co1 B7 B8 B12 148.93(18) . . . . ?
C2 B7 B8 B9 59.2(2) . . . . ?
B12 B7 B8 B9 -37.66(19) . . . . ?
B11 B7 B8 B9 -0.6(3) . . . . ?
Co1 B7 B8 B9 111.27(18) . . . . ?
C2 B7 B8 B4 -3.6(2) . . . . ?
B12 B7 B8 B4 -100.5(2) . . . . ?
B11 B7 B8 B4 -63.4(2) . . . . ?
Co1 B7 B8 B4 48.47(15) . . . . ?
C2 B7 B8 Co1 -52.04(15) . . . . ?
B12 B7 B8 Co1 -148.93(18) . . . . ?
B11 B7 B8 Co1 -111.91(19) . . . . ?
C1 B4 B8 N1 158.8(2) . . . . ?
B5 B4 B8 N1 -141.3(2) . . . . ?
B9 B4 B8 N1 -104.5(3) . . . . ?
Co1 B4 B8 N1 106.7(2) . . . . ?
C1 B4 B8 B12 -58.8(2) . . . . ?
B5 B4 B8 B12 1.1(3) . . . . ?
B9 B4 B8 B12 37.91(19) . . . . ?
Co1 B4 B8 B12 -110.97(17) . . . . ?
C1 B4 B8 B9 -96.7(2) . . . . ?
B5 B4 B8 B9 -36.83(19) . . . . ?
Co1 B4 B8 B9 -148.88(18) . . . . ?
C1 B4 B8 B7 3.9(2) . . . . ?
B5 B4 B8 B7 63.8(2) . . . . ?
B9 B4 B8 B7 100.6(2) . . . . ?
Co1 B4 B8 B7 -48.29(15) . . . . ?
C1 B4 B8 Co1 52.15(15) . . . . ?
B5 B4 B8 Co1 112.05(19) . . . . ?
B9 B4 B8 Co1 148.88(18) . . . . ?
C1 B5 B9 B10 -99.1(2) . . . . ?
B6 B5 B9 B10 -36.7(2) . . . . ?
B4 B5 B9 B10 -139.1(2) . . . . ?
C1 B5 B9 B12 -61.1(3) . . . . ?
B6 B5 B9 B12 1.3(3) . . . . ?
B10 B5 B9 B12 38.03(19) . . . . ?
B4 B5 B9 B12 -101.1(2) . . . . ?
C1 B5 B9 B4 39.97(19) . . . . ?
B6 B5 B9 B4 102.4(2) . . . . ?
B10 B5 B9 B4 139.1(2) . . . . ?
C1 B5 B9 B8 2.2(3) . . . . ?
B6 B5 B9 B8 64.6(3) . . . . ?
B10 B5 B9 B8 101.3(2) . . . . ?
B4 B5 B9 B8 -37.8(2) . . . . ?
C1 B4 B9 B5 -38.96(19) . . . . ?
B8 B4 B9 B5 -138.2(2) . . . . ?
Co1 B4 B9 B5 -106.3(2) . . . . ?
C1 B4 B9 B10 -2.2(3) . . . . ?
B5 B4 B9 B10 36.8(2) . . . . ?
B8 B4 B9 B10 -101.5(2) . . . . ?
Co1 B4 B9 B10 -69.5(3) . . . . ?
C1 B4 B9 B12 61.2(2) . . . . ?
B5 B4 B9 B12 100.2(2) . . . . ?
B8 B4 B9 B12 -38.04(19) . . . . ?
Co1 B4 B9 B12 -6.1(3) . . . . ?
C1 B4 B9 B8 99.3(2) . . . . ?
B5 B4 B9 B8 138.2(2) . . . . ?
Co1 B4 B9 B8 31.97(18) . . . . ?
N1 B8 B9 B5 156.3(2) . . . . ?
B12 B8 B9 B5 -99.6(2) . . . . ?
B7 B8 B9 B5 -62.1(3) . . . . ?
B4 B8 B9 B5 37.7(2) . . . . ?
Co1 B8 B9 B5 6.5(3) . . . . ?
N1 B8 B9 B10 -140.0(2) . . . . ?
B12 B8 B9 B10 -35.97(19) . . . . ?
B7 B8 B9 B10 1.6(3) . . . . ?
B4 B8 B9 B10 101.3(2) . . . . ?
Co1 B8 B9 B10 70.2(2) . . . . ?
N1 B8 B9 B12 -104.1(2) . . . . ?
B7 B8 B9 B12 37.52(18) . . . . ?
B4 B8 B9 B12 137.3(2) . . . . ?
Co1 B8 B9 B12 106.13(19) . . . . ?
N1 B8 B9 B4 118.6(3) . . . . ?
B12 B8 B9 B4 -137.3(2) . . . . ?
B7 B8 B9 B4 -99.8(2) . . . . ?
Co1 B8 B9 B4 -31.18(18) . . . . ?
C1 B6 B10 B5 39.7(2) . . . . ?
C2 B6 B10 B5 97.7(2) . . . . ?
B11 B6 B10 B5 136.6(2) . . . . ?
C1 B6 B10 B11 -97.0(2) . . . . ?
C2 B6 B10 B11 -39.0(2) . . . . ?
B5 B6 B10 B11 -136.6(2) . . . . ?
C1 B6 B10 B12 -60.3(3) . . . . ?
C2 B6 B10 B12 -2.3(3) . . . . ?
B5 B6 B10 B12 -99.9(2) . . . . ?
B11 B6 B10 B12 36.7(2) . . . . ?
C1 B6 B10 B9 3.3(3) . . . . ?
C2 B6 B10 B9 61.3(3) . . . . ?
B5 B6 B10 B9 -36.4(2) . . . . ?
B11 B6 B10 B9 100.2(2) . . . . ?
C1 B5 B10 B6 -40.5(2) . . . . ?
B9 B5 B10 B6 -139.1(2) . . . . ?
B4 B5 B10 B6 -102.1(2) . . . . ?
C1 B5 B10 B11 -2.2(3) . . . . ?
B6 B5 B10 B11 38.3(2) . . . . ?
B9 B5 B10 B11 -100.8(2) . . . . ?
B4 B5 B10 B11 -63.8(3) . . . . ?
C1 B5 B10 B12 60.5(3) . . . . ?
B6 B5 B10 B12 101.0(2) . . . . ?
B9 B5 B10 B12 -38.14(19) . . . . ?
B4 B5 B10 B12 -1.1(3) . . . . ?
C1 B5 B10 B9 98.6(2) . . . . ?
B6 B5 B10 B9 139.1(2) . . . . ?
B4 B5 B10 B9 37.0(2) . . . . ?
B5 B9 B10 B6 36.3(2) . . . . ?
B12 B9 B10 B6 -100.9(2) . . . . ?
B4 B9 B10 B6 -0.7(3) . . . . ?
B8 B9 B10 B6 -65.0(3) . . . . ?
B12 B9 B10 B5 -137.2(2) . . . . ?
B4 B9 B10 B5 -36.9(2) . . . . ?
B8 B9 B10 B5 -101.2(2) . . . . ?
B5 B9 B10 B11 99.4(2) . . . . ?
B12 B9 B10 B11 -37.8(2) . . . . ?
B4 B9 B10 B11 62.4(3) . . . . ?
B8 B9 B10 B11 -1.9(3) . . . . ?
B5 B9 B10 B12 137.2(2) . . . . ?
B4 B9 B10 B12 100.3(2) . . . . ?
B8 B9 B10 B12 35.96(19) . . . . ?
C1 C2 B11 B6 38.7(2) . . . . ?
B7 C2 B11 B6 143.3(2) . . . . ?
Co1 C2 B11 B6 114.9(2) . . . . ?
C1 C2 B11 B12 -64.1(3) . . . . ?
B7 C2 B11 B12 40.5(2) . . . . ?
B6 C2 B11 B12 -102.9(2) . . . . ?
Co1 C2 B11 B12 12.0(3) . . . . ?
C1 C2 B11 B10 -1.5(3) . . . . ?
B7 C2 B11 B10 103.1(2) . . . . ?
B6 C2 B11 B10 -40.2(2) . . . . ?
Co1 C2 B11 B10 74.7(3) . . . . ?
C1 C2 B11 B7 -104.6(2) . . . . ?
B6 C2 B11 B7 -143.3(2) . . . . ?
Co1 C2 B11 B7 -28.4(2) . . . . ?
C1 B6 B11 C2 -34.37(19) . . . . ?
B5 B6 B11 C2 -94.8(2) . . . . ?
B10 B6 B11 C2 -133.9(2) . . . . ?
C1 B6 B11 B12 62.4(3) . . . . ?
C2 B6 B11 B12 96.8(2) . . . . ?
B5 B6 B11 B12 2.0(3) . . . . ?
B10 B6 B11 B12 -37.0(2) . . . . ?
C1 B6 B11 B10 99.5(2) . . . . ?
C2 B6 B11 B10 133.9(2) . . . . ?
B5 B6 B11 B10 39.1(2) . . . . ?
C1 B6 B11 B7 -1.4(3) . . . . ?
C2 B6 B11 B7 32.95(19) . . . . ?
B5 B6 B11 B7 -61.8(3) . . . . ?
B10 B6 B11 B7 -100.9(2) . . . . ?
B6 B10 B11 C2 40.3(2) . . . . ?
B5 B10 B11 C2 2.2(3) . . . . ?
B12 B10 B11 C2 -98.5(2) . . . . ?
B9 B10 B11 C2 -60.5(3) . . . . ?
B5 B10 B11 B6 -38.1(2) . . . . ?
B12 B10 B11 B6 -138.8(2) . . . . ?
B9 B10 B11 B6 -100.8(2) . . . . ?
B6 B10 B11 B12 138.8(2) . . . . ?
B5 B10 B11 B12 100.7(2) . . . . ?
B9 B10 B11 B12 38.0(2) . . . . ?
B6 B10 B11 B7 102.3(2) . . . . ?
B5 B10 B11 B7 64.2(3) . . . . ?
B12 B10 B11 B7 -36.6(2) . . . . ?
B9 B10 B11 B7 1.5(3) . . . . ?
B12 B7 B11 C2 133.6(2) . . . . ?
B8 B7 B11 C2 96.4(2) . . . . ?
Co1 B7 B11 C2 25.27(18) . . . . ?
C2 B7 B11 B6 -33.3(2) . . . . ?
B12 B7 B11 B6 100.3(2) . . . . ?
B8 B7 B11 B6 63.1(3) . . . . ?
Co1 B7 B11 B6 -8.0(3) . . . . ?
C2 B7 B11 B12 -133.6(2) . . . . ?
B8 B7 B11 B12 -37.20(19) . . . . ?
Co1 B7 B11 B12 -108.3(2) . . . . ?
C2 B7 B11 B10 -96.9(2) . . . . ?
B12 B7 B11 B10 36.7(2) . . . . ?
B8 B7 B11 B10 -0.5(3) . . . . ?
Co1 B7 B11 B10 -71.6(2) . . . . ?
C2 B11 B12 B7 -39.95(19) . . . . ?
B6 B11 B12 B7 -102.7(2) . . . . ?
B10 B11 B12 B7 -139.4(2) . . . . ?
C2 B11 B12 B10 99.5(2) . . . . ?
B6 B11 B12 B10 36.8(2) . . . . ?
B7 B11 B12 B10 139.4(2) . . . . ?
C2 B11 B12 B8 -2.2(3) . . . . ?
B6 B11 B12 B8 -64.9(3) . . . . ?
B10 B11 B12 B8 -101.6(2) . . . . ?
B7 B11 B12 B8 37.8(2) . . . . ?
C2 B11 B12 B9 61.5(3) . . . . ?
B6 B11 B12 B9 -1.2(3) . . . . ?
B10 B11 B12 B9 -37.9(2) . . . . ?
B7 B11 B12 B9 101.5(2) . . . . ?
C2 B7 B12 B11 38.79(19) . . . . ?
B8 B7 B12 B11 138.2(2) . . . . ?
Co1 B7 B12 B11 106.0(2) . . . . ?
C2 B7 B12 B10 2.2(3) . . . . ?
B11 B7 B12 B10 -36.6(2) . . . . ?
B8 B7 B12 B10 101.6(2) . . . . ?
Co1 B7 B12 B10 69.4(2) . . . . ?
C2 B7 B12 B8 -99.4(2) . . . . ?
B11 B7 B12 B8 -138.2(2) . . . . ?
Co1 B7 B12 B8 -32.21(18) . . . . ?
C2 B7 B12 B9 -61.4(2) . . . . ?
B11 B7 B12 B9 -100.2(2) . . . . ?
B8 B7 B12 B9 38.0(2) . . . . ?
Co1 B7 B12 B9 5.8(3) . . . . ?
B6 B10 B12 B11 -36.8(2) . . . . ?
B5 B10 B12 B11 -99.4(2) . . . . ?
B9 B10 B12 B11 -137.3(2) . . . . ?
B6 B10 B12 B7 0.1(3) . . . . ?
B5 B10 B12 B7 -62.6(3) . . . . ?
B11 B10 B12 B7 36.8(2) . . . . ?
B9 B10 B12 B7 -100.5(2) . . . . ?
B6 B10 B12 B8 64.4(3) . . . . ?
B5 B10 B12 B8 1.8(3) . . . . ?
B11 B10 B12 B8 101.2(2) . . . . ?
B9 B10 B12 B8 -36.14(19) . . . . ?
B6 B10 B12 B9 100.6(2) . . . . ?
B5 B10 B12 B9 37.93(19) . . . . ?
B11 B10 B12 B9 137.3(2) . . . . ?
N1 B8 B12 B11 -150.5(2) . . . . ?
B9 B8 B12 B11 99.8(2) . . . . ?
B7 B8 B12 B11 -37.8(2) . . . . ?
B4 B8 B12 B11 62.0(3) . . . . ?
Co1 B8 B12 B11 -6.9(3) . . . . ?
N1 B8 B12 B7 -112.7(3) . . . . ?
B9 B8 B12 B7 137.6(2) . . . . ?
B4 B8 B12 B7 99.8(2) . . . . ?
Co1 B8 B12 B7 30.94(18) . . . . ?
N1 B8 B12 B10 145.7(2) . . . . ?
B9 B8 B12 B10 36.04(19) . . . . ?
B7 B8 B12 B10 -101.6(2) . . . . ?
B4 B8 B12 B10 -1.8(3) . . . . ?
Co1 B8 B12 B10 -70.7(2) . . . . ?
N1 B8 B12 B9 109.7(2) . . . . ?
B7 B8 B12 B9 -137.6(2) . . . . ?
B4 B8 B12 B9 -37.82(19) . . . . ?
Co1 B8 B12 B9 -106.7(2) . . . . ?
B5 B9 B12 B11 -0.1(3) . . . . ?
B10 B9 B12 B11 38.0(2) . . . . ?
B4 B9 B12 B11 -63.7(3) . . . . ?
B8 B9 B12 B11 -102.0(2) . . . . ?
B5 B9 B12 B7 63.9(3) . . . . ?
B10 B9 B12 B7 101.9(2) . . . . ?
B4 B9 B12 B7 0.2(3) . . . . ?
B8 B9 B12 B7 -38.12(19) . . . . ?
B5 B9 B12 B10 -38.0(2) . . . . ?
B4 B9 B12 B10 -101.7(2) . . . . ?
B8 B9 B12 B10 -140.0(2) . . . . ?
B5 B9 B12 B8 102.0(2) . . . . ?
B10 B9 B12 B8 140.0(2) . . . . ?
B4 B9 B12 B8 38.32(19) . . . . ?
B5' C1' C2' B11' -0.2(3) . . . . ?
B4' C1' C2' B11' 69.2(3) . . . . ?
B6' C1' C2' B11' -39.5(2) . . . . ?
Co1 C1' C2' B11' 120.0(2) . . . . ?
B5' C1' C2' B7' -69.4(3) . . . . ?
B4' C1' C2' B7' -0.1(3) . . . . ?
B6' C1' C2' B7' -108.8(2) . . . . ?
Co1 C1' C2' B7' 50.75(17) . . . . ?
B5' C1' C2' B6' 39.3(2) . . . . ?
B4' C1' C2' B6' 108.7(2) . . . . ?
Co1 C1' C2' B6' 159.51(18) . . . . ?
B5' C1' C2' Co1 -120.18(19) . . . . ?
B4' C1' C2' Co1 -50.80(16) . . . . ?
B6' C1' C2' Co1 -159.51(18) . . . . ?
C2' C1' B4' B9' -64.2(2) . . . . ?
B5' C1' B4' B9' 40.15(19) . . . . ?
B6' C1' B4' B9' 4.8(3) . . . . ?
Co1 C1' B4' B9' -114.88(18) . . . . ?
C2' C1' B4' B5' -104.3(2) . . . . ?
B6' C1' B4' B5' -35.4(2) . . . . ?
Co1 C1' B4' B5' -155.03(18) . . . . ?
C2' C1' B4' B8' -1.7(3) . . . . ?
B5' C1' B4' B8' 102.7(2) . . . . ?
B6' C1' B4' B8' 67.3(2) . . . . ?
Co1 C1' B4' B8' -52.38(15) . . . . ?
C2' C1' B4' Co1 50.71(16) . . . . ?
B5' C1' B4' Co1 155.03(18) . . . . ?
B6' C1' B4' Co1 119.64(19) . . . . ?
C2' C1' B5' B6' -39.3(2) . . . . ?
B4' C1' B5' B6' -144.0(2) . . . . ?
Co1 C1' B5' B6' -115.7(2) . . . . ?
C2' C1' B5' B9' 64.4(3) . . . . ?
B4' C1' B5' B9' -40.37(19) . . . . ?
B6' C1' B5' B9' 103.7(2) . . . . ?
Co1 C1' B5' B9' -12.0(3) . . . . ?
C2' C1' B5' B10' 1.9(3) . . . . ?
B4' C1' B5' B10' -102.8(2) . . . . ?
B6' C1' B5' B10' 41.22(19) . . . . ?
Co1 C1' B5' B10' -74.4(2) . . . . ?
C2' C1' B5' B4' 104.8(2) . . . . ?
B6' C1' B5' B4' 144.0(2) . . . . ?
Co1 C1' B5' B4' 28.4(2) . . . . ?
B9' B4' B5' C1' -133.3(2) . . . . ?
B8' B4' B5' C1' -96.2(2) . . . . ?
Co1 B4' B5' C1' -25.35(18) . . . . ?
C1' B4' B5' B6' 32.5(2) . . . . ?
B9' B4' B5' B6' -100.8(2) . . . . ?
B8' B4' B5' B6' -63.7(3) . . . . ?
Co1 B4' B5' B6' 7.1(3) . . . . ?
C1' B4' B5' B9' 133.3(2) . . . . ?
B8' B4' B5' B9' 37.1(2) . . . . ?
Co1 B4' B5' B9' 108.0(2) . . . . ?
C1' B4' B5' B10' 96.4(2) . . . . ?
B9' B4' B5' B10' -37.0(2) . . . . ?
B8' B4' B5' B10' 0.2(3) . . . . ?
Co1 B4' B5' B10' 71.0(3) . . . . ?
B5' C1' B6' C2' -138.4(2) . . . . ?
B4' C1' B6' C2' -102.6(2) . . . . ?
Co1 C1' B6' C2' -23.3(2) . . . . ?
C2' C1' B6' B11' 35.49(19) . . . . ?
B5' C1' B6' B11' -102.9(2) . . . . ?
B4' C1' B6' B11' -67.1(3) . . . . ?
Co1 C1' B6' B11' 12.2(3) . . . . ?
C2' C1' B6' B5' 138.4(2) . . . . ?
B4' C1' B6' B5' 35.9(2) . . . . ?
Co1 C1' B6' B5' 115.1(2) . . . . ?
C2' C1' B6' B10' 97.4(2) . . . . ?
B5' C1' B6' B10' -40.99(19) . . . . ?
B4' C1' B6' B10' -5.1(3) . . . . ?
Co1 C1' B6' B10' 74.2(3) . . . . ?
B11' C2' B6' C1' 138.0(2) . . . . ?
B7' C2' B6' C1' 102.0(2) . . . . ?
Co1 C2' B6' C1' 23.3(2) . . . . ?
C1' C2' B6' B11' -138.0(2) . . . . ?
B7' C2' B6' B11' -36.0(2) . . . . ?
Co1 C2' B6' B11' -114.7(2) . . . . ?
C1' C2' B6' B5' -35.23(19) . . . . ?
B11' C2' B6' B5' 102.8(2) . . . . ?
B7' C2' B6' B5' 66.8(3) . . . . ?
Co1 C2' B6' B5' -12.0(3) . . . . ?
C1' C2' B6' B10' -97.2(2) . . . . ?
B11' C2' B6' B10' 40.8(2) . . . . ?
B7' C2' B6' B10' 4.8(3) . . . . ?
Co1 C2' B6' B10' -74.0(3) . . . . ?
B9' B5' B6' C1' -95.7(2) . . . . ?
B10' B5' B6' C1' -132.7(2) . . . . ?
B4' B5' B6' C1' -32.10(19) . . . . ?
C1' B5' B6' C2' 34.16(18) . . . . ?
B9' B5' B6' C2' -61.5(3) . . . . ?
B10' B5' B6' C2' -98.5(2) . . . . ?
B4' B5' B6' C2' 2.1(3) . . . . ?
C1' B5' B6' B11' 94.2(2) . . . . ?
B9' B5' B6' B11' -1.5(3) . . . . ?
B10' B5' B6' B11' -38.5(2) . . . . ?
B4' B5' B6' B11' 62.1(3) . . . . ?
C1' B5' B6' B10' 132.7(2) . . . . ?
B9' B5' B6' B10' 36.99(19) . . . . ?
B4' B5' B6' B10' 100.6(2) . . . . ?
C1' C2' B7' B12' 63.9(2) . . . . ?
B11' C2' B7' B12' -40.0(2) . . . . ?
B6' C2' B7' B12' -4.6(3) . . . . ?
Co1 C2' B7' B12' 114.80(18) . . . . ?
C1' C2' B7' B11' 103.9(2) . . . . ?
B6' C2' B7' B11' 35.4(2) . . . . ?
Co1 C2' B7' B11' 154.77(17) . . . . ?
C1' C2' B7' B8' 1.7(3) . . . . ?
B11' C2' B7' B8' -102.2(2) . . . . ?
B6' C2' B7' B8' -66.8(3) . . . . ?
Co1 C2' B7' B8' 52.61(15) . . . . ?
C1' C2' B7' Co1 -50.87(16) . . . . ?
B11' C2' B7' Co1 -154.77(17) . . . . ?
B6' C2' B7' Co1 -119.4(2) . . . . ?
C1' B4' B8' B12' -59.4(2) . . . . ?
B9' B4' B8' B12' 37.7(2) . . . . ?
B5' B4' B8' B12' 1.0(3) . . . . ?
Co1 B4' B8' B12' -111.29(19) . . . . ?
C1' B4' B8' B9' -97.1(2) . . . . ?
B5' B4' B8' B9' -36.75(19) . . . . ?
Co1 B4' B8' B9' -149.04(18) . . . . ?
C1' B4' B8' B7' 2.6(2) . . . . ?
B9' B4' B8' B7' 99.8(2) . . . . ?
B5' B4' B8' B7' 63.0(2) . . . . ?
Co1 B4' B8' B7' -49.28(15) . . . . ?
C1' B4' B8' Co1 51.90(15) . . . . ?
B9' B4' B8' Co1 149.04(18) . . . . ?
B5' B4' B8' Co1 112.28(19) . . . . ?
C2' B7' B8' B12' 97.0(2) . . . . ?
B11' B7' B8' B12' 36.66(19) . . . . ?
Co1 B7' B8' B12' 149.19(17) . . . . ?
C2' B7' B8' B4' -2.6(2) . . . . ?
B12' B7' B8' B4' -99.7(2) . . . . ?
B11' B7' B8' B4' -63.0(2) . . . . ?
Co1 B7' B8' B4' 49.52(15) . . . . ?
C2' B7' B8' B9' 59.2(2) . . . . ?
B12' B7' B8' B9' -37.78(19) . . . . ?
B11' B7' B8' B9' -1.1(3) . . . . ?
Co1 B7' B8' B9' 111.41(18) . . . . ?
C2' B7' B8' Co1 -52.17(15) . . . . ?
B12' B7' B8' Co1 -149.19(17) . . . . ?
B11' B7' B8' Co1 -112.53(19) . . . . ?
C1' B5' B9' B4' 39.78(19) . . . . ?
B6' B5' B9' B4' 102.0(2) . . . . ?
B10' B5' B9' B4' 138.9(2) . . . . ?
C1' B5' B9' B10' -99.2(2) . . . . ?
B6' B5' B9' B10' -36.9(2) . . . . ?
B4' B5' B9' B10' -138.9(2) . . . . ?
C1' B5' B9' B12' -61.1(2) . . . . ?
B6' B5' B9' B12' 1.1(3) . . . . ?
B10' B5' B9' B12' 38.1(2) . . . . ?
B4' B5' B9' B12' -100.9(2) . . . . ?
C1' B5' B9' B8' 2.5(3) . . . . ?
B6' B5' B9' B8' 64.7(3) . . . . ?
B10' B5' B9' B8' 101.6(2) . . . . ?
B4' B5' B9' B8' -37.31(19) . . . . ?
C1' B4' B9' B5' -39.20(18) . . . . ?
B8' B4' B9' B5' -138.8(2) . . . . ?
Co1 B4' B9' B5' -106.9(2) . . . . ?
C1' B4' B9' B10' -2.3(3) . . . . ?
B5' B4' B9' B10' 36.9(2) . . . . ?
B8' B4' B9' B10' -101.9(2) . . . . ?
Co1 B4' B9' B10' -70.0(2) . . . . ?
C1' B4' B9' B12' 61.3(2) . . . . ?
B5' B4' B9' B12' 100.5(2) . . . . ?
B8' B4' B9' B12' -38.3(2) . . . . ?
Co1 B4' B9' B12' -6.4(3) . . . . ?
C1' B4' B9' B8' 99.6(2) . . . . ?
B5' B4' B9' B8' 138.8(2) . . . . ?
Co1 B4' B9' B8' 31.89(18) . . . . ?
B12' B8' B9' B5' -99.6(2) . . . . ?
B4' B8' B9' B5' 37.4(2) . . . . ?
B7' B8' B9' B5' -62.0(3) . . . . ?
Co1 B8' B9' B5' 6.4(3) . . . . ?
B12' B8' B9' B4' -137.0(2) . . . . ?
B7' B8' B9' B4' -99.4(2) . . . . ?
Co1 B8' B9' B4' -31.03(18) . . . . ?
B12' B8' B9' B10' -35.8(2) . . . . ?
B4' B8' B9' B10' 101.2(2) . . . . ?
B7' B8' B9' B10' 1.9(3) . . . . ?
Co1 B8' B9' B10' 70.2(2) . . . . ?
B4' B8' B9' B12' 137.0(2) . . . . ?
B7' B8' B9' B12' 37.66(19) . . . . ?
Co1 B8' B9' B12' 106.0(2) . . . . ?
C1' B6' B10' B11' -96.9(2) . . . . ?
C2' B6' B10' B11' -39.61(19) . . . . ?
B5' B6' B10' B11' -136.8(2) . . . . ?
C1' B6' B10' B5' 39.86(18) . . . . ?
C2' B6' B10' B5' 97.2(2) . . . . ?
B11' B6' B10' B5' 136.8(2) . . . . ?
C1' B6' B10' B9' 3.2(3) . . . . ?
C2' B6' B10' B9' 60.6(2) . . . . ?
B11' B6' B10' B9' 100.2(2) . . . . ?
B5' B6' B10' B9' -36.65(19) . . . . ?
C1' B6' B10' B12' -60.2(2) . . . . ?
C2' B6' B10' B12' -2.9(3) . . . . ?
B11' B6' B10' B12' 36.7(2) . . . . ?
B5' B6' B10' B12' -100.1(2) . . . . ?
C1' B5' B10' B6' -40.99(18) . . . . ?
B9' B5' B10' B6' -139.0(2) . . . . ?
B4' B5' B10' B6' -102.3(2) . . . . ?
C1' B5' B10' B11' -2.9(3) . . . . ?
B6' B5' B10' B11' 38.1(2) . . . . ?
B9' B5' B10' B11' -100.9(2) . . . . ?
B4' B5' B10' B11' -64.2(3) . . . . ?
C1' B5' B10' B9' 98.0(2) . . . . ?
B6' B5' B10' B9' 139.0(2) . . . . ?
B4' B5' B10' B9' 36.7(2) . . . . ?
C1' B5' B10' B12' 60.0(3) . . . . ?
B6' B5' B10' B12' 101.0(2) . . . . ?
B9' B5' B10' B12' -38.0(2) . . . . ?
B4' B5' B10' B12' -1.3(3) . . . . ?
B5' B9' B10' B6' 36.6(2) . . . . ?
B4' B9' B10' B6' -0.6(3) . . . . ?
B12' B9' B10' B6' -100.7(2) . . . . ?
B8' B9' B10' B6' -64.9(3) . . . . ?
B5' B9' B10' B11' 99.6(2) . . . . ?
B4' B9' B10' B11' 62.4(3) . . . . ?
B12' B9' B10' B11' -37.7(2) . . . . ?
B8' B9' B10' B11' -1.9(3) . . . . ?
B4' B9' B10' B5' -37.2(2) . . . . ?
B12' B9' B10' B5' -137.3(2) . . . . ?
B8' B9' B10' B5' -101.5(2) . . . . ?
B5' B9' B10' B12' 137.3(2) . . . . ?
B4' B9' B10' B12' 100.1(2) . . . . ?
B8' B9' B10' B12' 35.8(2) . . . . ?
C1' C2' B11' B6' 39.4(2) . . . . ?
B7' C2' B11' B6' 144.0(2) . . . . ?
Co1 C2' B11' B6' 115.5(2) . . . . ?
C1' C2' B11' B10' -1.7(3) . . . . ?
B7' C2' B11' B10' 102.8(2) . . . . ?
B6' C2' B11' B10' -41.1(2) . . . . ?
Co1 C2' B11' B10' 74.3(3) . . . . ?
C1' C2' B11' B12' -64.4(3) . . . . ?
B7' C2' B11' B12' 40.20(19) . . . . ?
B6' C2' B11' B12' -103.8(2) . . . . ?
Co1 C2' B11' B12' 11.7(3) . . . . ?
C1' C2' B11' B7' -104.6(2) . . . . ?
B6' C2' B11' B7' -144.0(2) . . . . ?
Co1 C2' B11' B7' -28.5(2) . . . . ?
C1' B6' B11' C2' -34.45(18) . . . . ?
B5' B6' B11' C2' -94.5(2) . . . . ?
B10' B6' B11' C2' -133.0(2) . . . . ?
C1' B6' B11' B10' 98.5(2) . . . . ?
C2' B6' B11' B10' 133.0(2) . . . . ?
B5' B6' B11' B10' 38.5(2) . . . . ?
C1' B6' B11' B12' 61.3(3) . . . . ?
C2' B6' B11' B12' 95.8(2) . . . . ?
B5' B6' B11' B12' 1.3(3) . . . . ?
B10' B6' B11' B12' -37.2(2) . . . . ?
C1' B6' B11' B7' -2.3(3) . . . . ?
C2' B6' B11' B7' 32.1(2) . . . . ?
B5' B6' B11' B7' -62.3(3) . . . . ?
B10' B6' B11' B7' -100.8(2) . . . . ?
B6' B10' B11' C2' 40.97(19) . . . . ?
B5' B10' B11' C2' 2.8(3) . . . . ?
B9' B10' B11' C2' -60.1(3) . . . . ?
B12' B10' B11' C2' -97.9(2) . . . . ?
B5' B10' B11' B6' -38.2(2) . . . . ?
B9' B10' B11' B6' -101.1(2) . . . . ?
B12' B10' B11' B6' -138.9(2) . . . . ?
B6' B10' B11' B12' 138.9(2) . . . . ?
B5' B10' B11' B12' 100.7(2) . . . . ?
B9' B10' B11' B12' 37.8(2) . . . . ?
B6' B10' B11' B7' 102.3(2) . . . . ?
B5' B10' B11' B7' 64.1(3) . . . . ?
B9' B10' B11' B7' 1.2(3) . . . . ?
B12' B10' B11' B7' -36.6(2) . . . . ?
B12' B7' B11' C2' 133.6(2) . . . . ?
B8' B7' B11' C2' 96.7(2) . . . . ?
Co1 B7' B11' C2' 25.71(17) . . . . ?
C2' B7' B11' B6' -32.7(2) . . . . ?
B12' B7' B11' B6' 100.9(2) . . . . ?
B8' B7' B11' B6' 64.0(3) . . . . ?
Co1 B7' B11' B6' -7.0(3) . . . . ?
C2' B7' B11' B10' -96.7(2) . . . . ?
B12' B7' B11' B10' 36.8(2) . . . . ?
B8' B7' B11' B10' 0.0(3) . . . . ?
Co1 B7' B11' B10' -71.0(3) . . . . ?
C2' B7' B11' B12' -133.6(2) . . . . ?
B8' B7' B11' B12' -36.9(2) . . . . ?
Co1 B7' B11' B12' -107.9(2) . . . . ?
C2' B11' B12' B7' -39.56(19) . . . . ?
B6' B11' B12' B7' -102.1(2) . . . . ?
B10' B11' B12' B7' -139.2(2) . . . . ?
C2' B11' B12' B9' 61.9(2) . . . . ?
B6' B11' B12' B9' -0.6(3) . . . . ?
B10' B11' B12' B9' -37.70(19) . . . . ?
B7' B11' B12' B9' 101.5(2) . . . . ?
C2' B11' B12' B10' 99.6(2) . . . . ?
B6' B11' B12' B10' 37.1(2) . . . . ?
B7' B11' B12' B10' 139.2(2) . . . . ?
C2' B11' B12' B8' -2.1(3) . . . . ?
B6' B11' B12' B8' -64.7(3) . . . . ?
B10' B11' B12' B8' -101.8(2) . . . . ?
B7' B11' B12' B8' 37.44(19) . . . . ?
C2' B7' B12' B11' 39.00(19) . . . . ?
B8' B7' B12' B11' 138.8(2) . . . . ?
Co1 B7' B12' B11' 107.1(2) . . . . ?
C2' B7' B12' B9' -61.2(2) . . . . ?
B11' B7' B12' B9' -100.2(2) . . . . ?
B8' B7' B12' B9' 38.64(19) . . . . ?
Co1 B7' B12' B9' 6.9(3) . . . . ?
C2' B7' B12' B10' 2.4(3) . . . . ?
B11' B7' B12' B10' -36.6(2) . . . . ?
B8' B7' B12' B10' 102.2(2) . . . . ?
Co1 B7' B12' B10' 70.4(3) . . . . ?
C2' B7' B12' B8' -99.8(2) . . . . ?
B11' B7' B12' B8' -138.8(2) . . . . ?
Co1 B7' B12' B8' -31.77(18) . . . . ?
B5' B9' B12' B11' -0.3(3) . . . . ?
B4' B9' B12' B11' -64.3(3) . . . . ?
B10' B9' B12' B11' 37.6(2) . . . . ?
B8' B9' B12' B11' -102.8(2) . . . . ?
B5' B9' B12' B7' 63.7(3) . . . . ?
B4' B9' B12' B7' -0.2(3) . . . . ?
B10' B9' B12' B7' 101.7(2) . . . . ?
B8' B9' B12' B7' -38.7(2) . . . . ?
B5' B9' B12' B10' -38.0(2) . . . . ?
B4' B9' B12' B10' -101.9(2) . . . . ?
B8' B9' B12' B10' -140.4(2) . . . . ?
B5' B9' B12' B8' 102.5(2) . . . . ?
B4' B9' B12' B8' 38.48(19) . . . . ?
B10' B9' B12' B8' 140.4(2) . . . . ?
B6' B10' B12' B11' -36.6(2) . . . . ?
B5' B10' B12' B11' -99.7(2) . . . . ?
B9' B10' B12' B11' -137.6(2) . . . . ?
B6' B10' B12' B7' 0.4(3) . . . . ?
B11' B10' B12' B7' 37.0(2) . . . . ?
B5' B10' B12' B7' -62.7(3) . . . . ?
B9' B10' B12' B7' -100.6(2) . . . . ?
B6' B10' B12' B9' 101.0(2) . . . . ?
B11' B10' B12' B9' 137.6(2) . . . . ?
B5' B10' B12' B9' 37.9(2) . . . . ?
B6' B10' B12' B8' 65.0(3) . . . . ?
B11' B10' B12' B8' 101.6(2) . . . . ?
B5' B10' B12' B8' 1.9(3) . . . . ?
B9' B10' B12' B8' -36.0(2) . . . . ?
B4' B8' B12' B11' 62.0(3) . . . . ?
B9' B8' B12' B11' 99.6(2) . . . . ?
B7' B8' B12' B11' -37.4(2) . . . . ?
Co1 B8' B12' B11' -6.7(3) . . . . ?
B4' B8' B12' B7' 99.4(2) . . . . ?
B9' B8' B12' B7' 137.0(2) . . . . ?
Co1 B8' B12' B7' 30.70(17) . . . . ?
B4' B8' B12' B9' -37.6(2) . . . . ?
B7' B8' B12' B9' -137.0(2) . . . . ?
Co1 B8' B12' B9' -106.3(2) . . . . ?
B4' B8' B12' B10' -1.8(3) . . . . ?
B9' B8' B12' B10' 35.8(2) . . . . ?
B7' B8' B12' B10' -101.2(2) . . . . ?
Co1 B8' B12' B10' -70.5(2) . . . . ?
B12 B8 N1 C3 -118.6(3) . . . . ?
B9 B8 N1 C3 -50.7(4) . . . . ?
B7 B8 N1 C3 173.1(2) . . . . ?
B4 B8 N1 C3 21.3(4) . . . . ?
Co1 B8 N1 C3 98.6(3) . . . . ?
B8 N1 C3 O1 3.7(4) . . . . ?
B8 N1 C3 C4 -172.1(2) . . . . ?
C6 O1 C3 N1 172.6(2) . . . . ?
C6 O1 C3 C4 -11.7(4) . . . . ?
N1 C3 C4 C5 87.8(3) . . . . ?
O1 C3 C4 C5 -87.7(3) . . . . ?
C3 O1 C6 C7 156.2(3) . . . . ?
C3 O1 C6 C8 -81.9(3) . . . . ?

_refine_diff_density_max         0.489
_refine_diff_density_min         -0.252
_refine_diff_density_rms         0.062

_shelxl_version_number           2014/6

