# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_slpno2s
_database_code_depnum_ccdc_archive 'CCDC 1440360'
_audit_update_record             
;
2015-12-03 deposited with the CCDC.
2016-01-12 downloaded from the CCDC.
;
_audit_creation_date             2015-10-01
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C4 H15 B10 N O2'
_chemical_formula_sum            'C4 H15 B10 N O2'
_chemical_formula_weight         217.27
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   23.339(2)
_cell_length_b                   7.5382(8)
_cell_length_c                   14.5428(17)
_cell_angle_alpha                90
_cell_angle_beta                 106.471(6)
_cell_angle_gamma                90
_cell_volume                     2453.6(5)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    1509
_cell_measurement_temperature    150.0(2)
_cell_measurement_theta_max      17.99
_cell_measurement_theta_min      2.92
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.067
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.542614
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.
 
For component 1:
 wR2(int) was 0.1146 before and 0.0774 after correction.
 The Ratio of minimum to maximum transmission not present.
 The λ/2 correction factor is Not present
 
For component 2:
 wR2(int) was 0.1460 before and 0.0707 after correction.
 The Ratio of minimum to maximum transmission not present.
 The λ/2 correction factor is Not present
 
For component 3:
 wR2(int) was 0.1199 before and 0.0764 after correction.
 The Ratio of minimum to maximum transmission is 0.71.
 The λ/2 correction factor is Not present

Final HKLF 4 output contains 59516 reflections, Rint = 0.1250
 (18625 with I > 3sig(I), Rint = 0.0912)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.176
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             896
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.24
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0832
_diffrn_reflns_av_unetI/netI     0.1325
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       -17
_diffrn_reflns_limit_l_min       17
_diffrn_reflns_number            61791
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.781
_diffrn_reflns_theta_min         0.910
_diffrn_ambient_temperature      150.0(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_source_current           35.0
_diffrn_source_power             1.75
_diffrn_source_voltage           50.0
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2855
_reflns_number_total             4605
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.248
_refine_diff_density_min         -0.307
_refine_diff_density_rms         0.060
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         4605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1594
_refine_ls_R_factor_gt           0.0927
_refine_ls_restrained_S_all      1.091
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0545P)²+5.3120P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1910
_refine_ls_wR_factor_ref         0.2093
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 1(10) 0(10)
2. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3.a Secondary CH2 refined with riding coordinates:
 C21'(H21A,H21B), C21(H21C,H21D)
3.b Idealised Me refined as rotating group:
 C23'(H23A,H23B,H23C), C23(H23D,H23E,H23F)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1' C 0.12200(17) 0.3667(5) 0.5737(3) 0.0272(9) Uani 1 1 d . . . . .
N1' N 0.09656(17) 0.5449(5) 0.5866(3) 0.0432(10) Uani 1 1 d . . . . .
O1' O 0.08898(18) 0.5603(5) 0.6632(3) 0.0683(12) Uani 1 1 d . . . . .
C2' C 0.13062(15) 0.3419(5) 0.4659(3) 0.0220(8) Uani 1 1 d . . . . .
B3' B 0.19371(19) 0.3768(7) 0.5627(3) 0.0281(11) Uani 1 1 d . . . . .
H3' H 0.2124(16) 0.512(6) 0.564(3) 0.034 Uiso 1 1 d R . . . .
B4' B 0.1769(2) 0.2641(7) 0.6610(3) 0.0350(12) Uani 1 1 d . . . . .
H4' H 0.1899(17) 0.327(6) 0.729(3) 0.042 Uiso 1 1 d R . . . .
B5' B 0.1036(2) 0.1742(7) 0.6191(4) 0.0359(13) Uani 1 1 d . . . . .
H5' H 0.0725(17) 0.187(5) 0.663(3) 0.043 Uiso 1 1 d R . . . .
B6' B 0.0732(2) 0.2302(6) 0.4944(3) 0.0296(11) Uani 1 1 d . . . . .
H6' H 0.0298(17) 0.268(5) 0.462(3) 0.036 Uiso 1 1 d R . . . .
B7' B 0.19255(19) 0.2172(6) 0.4732(3) 0.0269(10) Uani 1 1 d . . . . .
H7' H 0.2162(15) 0.245(5) 0.420(3) 0.032 Uiso 1 1 d R . . . .
B8' B 0.2222(2) 0.1623(7) 0.5969(3) 0.0316(11) Uani 1 1 d . . . . .
H8' H 0.2703(18) 0.149(5) 0.625(3) 0.038 Uiso 1 1 d R . . . .
B9' B 0.1663(2) 0.0382(7) 0.6313(4) 0.0345(12) Uani 1 1 d . . . . .
H9' H 0.1767(17) -0.071(6) 0.685(3) 0.041 Uiso 1 1 d R . . . .
B10' B 0.1024(2) 0.0162(7) 0.5291(4) 0.0347(12) Uani 1 1 d . . . . .
H10' H 0.0717(17) -0.093(6) 0.514(3) 0.042 Uiso 1 1 d R . . . .
B11' B 0.1194(2) 0.1262(7) 0.4318(3) 0.0295(11) Uani 1 1 d . . . . .
H11' H 0.0993(16) 0.095(5) 0.356(3) 0.035 Uiso 1 1 d R . . . .
B12' B 0.1762(2) 0.0081(7) 0.5150(3) 0.0309(11) Uani 1 1 d . . . . .
H12' H 0.1939(16) -0.114(6) 0.501(3) 0.037 Uiso 1 1 d R . . . .
C21' C 0.11487(16) 0.4950(5) 0.3950(3) 0.0276(9) Uani 1 1 d . . . . .
H21A H 0.1263 0.6087 0.4294 0.033 Uiso 1 1 calc R . . . .
H21B H 0.1374 0.4834 0.3470 0.033 Uiso 1 1 calc R . . . .
O22' O 0.05376(11) 0.4949(4) 0.34889(19) 0.0332(7) Uani 1 1 d . . . . .
C23' C 0.03831(18) 0.6412(6) 0.2836(3) 0.0378(11) Uani 1 1 d . . . . .
H23A H 0.0608 0.6329 0.2362 0.057 Uiso 1 1 calc GR . . . .
H23B H 0.0481 0.7527 0.3191 0.057 Uiso 1 1 calc GR . . . .
H23C H -0.0046 0.6378 0.2508 0.057 Uiso 1 1 calc GR . . . .
C1 C 0.38403(16) 0.6452(5) 0.9630(2) 0.0218(8) Uani 1 1 d . . . . .
N1 N 0.41071(15) 0.4695(5) 0.9989(3) 0.0357(9) Uani 1 1 d . . . . .
O1 O 0.42089(14) 0.4557(4) 1.0832(2) 0.0496(9) Uani 1 1 d . . . . .
C2 C 0.37001(15) 0.6650(5) 0.8449(2) 0.0205(8) Uani 1 1 d . . . . .
B3 B 0.31086(19) 0.6334(6) 0.8937(3) 0.0257(10) Uani 1 1 d . . . . .
H3 H 0.2920(16) 0.503(5) 0.887(3) 0.031 Uiso 1 1 d R . . . .
B4 B 0.3326(2) 0.7505(7) 1.0064(3) 0.0293(11) Uani 1 1 d . . . . .
H4 H 0.3202(15) 0.677(5) 1.070(3) 0.035 Uiso 1 1 d R . . . .
B5 B 0.4049(2) 0.8402(6) 1.0220(3) 0.0277(11) Uani 1 1 d . . . . .
H5 H 0.4377(16) 0.836(5) 1.091(3) 0.033 Uiso 1 1 d R . . . .
B6 B 0.43022(19) 0.7806(6) 0.9198(3) 0.0232(10) Uani 1 1 d . . . . .
H6 H 0.4755(15) 0.727(5) 0.927(2) 0.028 Uiso 1 1 d R . . . .
B7 B 0.30743(19) 0.7917(6) 0.8006(3) 0.0268(10) Uani 1 1 d . . . . .
H7 H 0.2800(16) 0.747(5) 0.731(3) 0.032 Uiso 1 1 d R . . . .
B8 B 0.2832(2) 0.8475(7) 0.9020(3) 0.0279(11) Uani 1 1 d . . . . .
H8 H 0.2347(17) 0.859(5) 0.889(3) 0.033 Uiso 1 1 d R . . . .
B9 B 0.34134(19) 0.9771(6) 0.9815(3) 0.0258(10) Uani 1 1 d . . . . .
H9 H 0.3314(15) 1.076(5) 1.022(3) 0.031 Uiso 1 1 d R . . . .
B10 B 0.40183(19) 0.9939(6) 0.9288(3) 0.0258(10) Uani 1 1 d . . . . .
H10 H 0.4298(16) 1.098(6) 0.937(3) 0.031 Uiso 1 1 d R . . . .
B11 B 0.38017(19) 0.8799(6) 0.8162(3) 0.0240(10) Uani 1 1 d . . . . .
H11 H 0.3961(15) 0.914(5) 0.746(3) 0.029 Uiso 1 1 d R . . . .
B12 B 0.32612(19) 1.0010(7) 0.8549(3) 0.0268(10) Uani 1 1 d . . . . .
H12 H 0.3047(16) 1.121(5) 0.821(3) 0.032 Uiso 1 1 d R . . . .
C21 C 0.38275(16) 0.5091(5) 0.7883(3) 0.0277(9) Uani 1 1 d . . . . .
H21C H 0.3719 0.3974 0.8151 0.033 Uiso 1 1 calc R . . . .
H21D H 0.3582 0.5187 0.7207 0.033 Uiso 1 1 calc R . . . .
O22 O 0.44311(11) 0.5055(4) 0.7923(2) 0.0336(7) Uani 1 1 d . . . . .
C23 C 0.45660(18) 0.3540(6) 0.7419(3) 0.0352(10) Uani 1 1 d . . . . .
H23D H 0.4329 0.3593 0.6745 0.053 Uiso 1 1 calc GR . . . .
H23E H 0.4468 0.2451 0.7711 0.053 Uiso 1 1 calc GR . . . .
H23F H 0.4992 0.3543 0.7459 0.053 Uiso 1 1 calc GR . . . .


_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
C1' N1' 1.501(5) . ?
C1' C2' 1.646(5) . ?
C1' B3' 1.727(6) . ?
C1' B4' 1.711(6) . ?
C1' B5' 1.700(6) . ?
C1' B6' 1.714(6) . ?
N1' O1' 1.183(5) . ?
C2' B3' 1.745(5) . ?
C2' B6' 1.729(6) . ?
C2' B7' 1.702(6) . ?
C2' B11' 1.698(6) . ?
C2' C21' 1.522(5) . ?
B3' H3' 1.11(4) . ?
B3' B4' 1.798(7) . ?
B3' B7' 1.767(7) . ?
B3' B8' 1.765(7) . ?
B4' H4' 1.07(4) . ?
B4' B5' 1.780(8) . ?
B4' B8' 1.771(7) . ?
B4' B9' 1.757(8) . ?
B5' H5' 1.10(4) . ?
B5' B6' 1.800(7) . ?
B5' B9' 1.756(7) . ?
B5' B10' 1.764(8) . ?
B6' H6' 1.03(4) . ?
B6' B10' 1.768(7) . ?
B6' B11' 1.779(7) . ?
B7' H7' 1.09(4) . ?
B7' B8' 1.783(7) . ?
B7' B11' 1.778(6) . ?
B7' B12' 1.769(7) . ?
B8' H8' 1.08(4) . ?
B8' B9' 1.789(7) . ?
B8' B12' 1.789(7) . ?
B9' H9' 1.11(4) . ?
B9' B10' 1.791(7) . ?
B9' B12' 1.785(7) . ?
B10' H10' 1.07(4) . ?
B10' B11' 1.779(7) . ?
B10' B12' 1.792(7) . ?
B11' H11' 1.09(4) . ?
B11' B12' 1.761(7) . ?
B12' H12' 1.06(4) . ?
C21' H21A 0.9900 . ?
C21' H21B 0.9900 . ?
C21' O22' 1.393(4) . ?
O22' C23' 1.433(5) . ?
C23' H23A 0.9800 . ?
C23' H23B 0.9800 . ?
C23' H23C 0.9800 . ?
C1 N1 1.494(5) . ?
C1 C2 1.661(5) . ?
C1 B3 1.721(6) . ?
C1 B4 1.702(6) . ?
C1 B5 1.703(6) . ?
C1 B6 1.727(6) . ?
N1 O1 1.185(4) . ?
C2 B3 1.738(5) . ?
C2 B6 1.747(5) . ?
C2 B7 1.711(6) . ?
C2 B11 1.706(6) . ?
C2 C21 1.512(5) . ?
B3 H3 1.07(4) . ?
B3 B4 1.802(7) . ?
B3 B7 1.790(7) . ?
B3 B8 1.755(7) . ?
B4 H4 1.18(4) . ?
B4 B5 1.772(7) . ?
B4 B8 1.783(7) . ?
B4 B9 1.770(7) . ?
B5 H5 1.08(4) . ?
B5 B6 1.805(6) . ?
B5 B9 1.766(6) . ?
B5 B10 1.769(7) . ?
B6 H6 1.11(4) . ?
B6 B10 1.758(6) . ?
B6 B11 1.788(6) . ?
B7 H7 1.09(4) . ?
B7 B8 1.773(6) . ?
B7 B11 1.777(6) . ?
B7 B12 1.763(7) . ?
B8 H8 1.10(4) . ?
B8 B9 1.801(6) . ?
B8 B12 1.789(7) . ?
B9 H9 1.02(4) . ?
B9 B10 1.792(6) . ?
B9 B12 1.783(6) . ?
B10 H10 1.01(4) . ?
B10 B11 1.791(6) . ?
B10 B12 1.790(6) . ?
B11 H11 1.21(4) . ?
B11 B12 1.773(6) . ?
B12 H12 1.08(4) . ?
C21 H21C 0.9900 . ?
C21 H21D 0.9900 . ?
C21 O22 1.394(4) . ?
O22 C23 1.439(5) . ?
C23 H23D 0.9800 . ?
C23 H23E 0.9800 . ?
C23 H23F 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
N1' C1' C2' 112.3(3) . . ?
N1' C1' B3' 113.6(3) . . ?
N1' C1' B4' 123.4(4) . . ?
N1' C1' B5' 124.2(3) . . ?
N1' C1' B6' 114.2(3) . . ?
C2' C1' B3' 62.2(2) . . ?
C2' C1' B4' 112.8(3) . . ?
C2' C1' B5' 112.7(3) . . ?
C2' C1' B6' 61.9(2) . . ?
B4' C1' B3' 63.1(3) . . ?
B4' C1' B6' 116.3(3) . . ?
B5' C1' B3' 115.6(3) . . ?
B5' C1' B4' 62.9(3) . . ?
B5' C1' B6' 63.6(3) . . ?
B6' C1' B3' 116.2(3) . . ?
O1' N1' C1' 112.1(4) . . ?
C1' C2' B3' 61.2(2) . . ?
C1' C2' B6' 61.0(2) . . ?
C1' C2' B7' 109.5(3) . . ?
C1' C2' B11' 109.7(3) . . ?
B6' C2' B3' 114.5(3) . . ?
B7' C2' B3' 61.7(3) . . ?
B7' C2' B6' 114.7(3) . . ?
B11' C2' B3' 113.9(3) . . ?
B11' C2' B6' 62.5(3) . . ?
B11' C2' B7' 63.1(3) . . ?
C21' C2' C1' 119.2(3) . . ?
C21' C2' B3' 114.7(3) . . ?
C21' C2' B6' 118.5(3) . . ?
C21' C2' B7' 119.9(3) . . ?
C21' C2' B11' 122.7(3) . . ?
C1' B3' C2' 56.6(2) . . ?
C1' B3' H3' 115(2) . . ?
C1' B3' B4' 58.0(2) . . ?
C1' B3' B7' 103.0(3) . . ?
C1' B3' B8' 103.4(3) . . ?
C2' B3' H3' 113.0(19) . . ?
C2' B3' B4' 104.2(3) . . ?
C2' B3' B7' 58.0(2) . . ?
C2' B3' B8' 104.7(3) . . ?
B4' B3' H3' 127(2) . . ?
B7' B3' H3' 124(2) . . ?
B7' B3' B4' 107.6(4) . . ?
B8' B3' H3' 136.3(19) . . ?
B8' B3' B4' 59.6(3) . . ?
B8' B3' B7' 60.6(3) . . ?
C1' B4' B3' 58.9(2) . . ?
C1' B4' H4' 116(2) . . ?
C1' B4' B5' 58.2(3) . . ?
C1' B4' B8' 103.8(3) . . ?
C1' B4' B9' 103.4(3) . . ?
B3' B4' H4' 117(2) . . ?
B5' B4' B3' 108.3(3) . . ?
B5' B4' H4' 119(2) . . ?
B8' B4' B3' 59.3(3) . . ?
B8' B4' H4' 129(2) . . ?
B8' B4' B5' 108.4(4) . . ?
B9' B4' B3' 108.1(4) . . ?
B9' B4' H4' 130(2) . . ?
B9' B4' B5' 59.5(3) . . ?
B9' B4' B8' 60.9(3) . . ?
C1' B5' B4' 58.9(3) . . ?
C1' B5' H5' 116(2) . . ?
C1' B5' B6' 58.6(3) . . ?
C1' B5' B9' 104.0(3) . . ?
C1' B5' B10' 103.9(3) . . ?
B4' B5' H5' 120(2) . . ?
B4' B5' B6' 108.7(3) . . ?
B6' B5' H5' 116(2) . . ?
B9' B5' B4' 59.6(3) . . ?
B9' B5' H5' 131(2) . . ?
B9' B5' B6' 108.5(3) . . ?
B9' B5' B10' 61.2(3) . . ?
B10' B5' B4' 108.8(3) . . ?
B10' B5' H5' 128(2) . . ?
B10' B5' B6' 59.5(3) . . ?
C1' B6' C2' 57.1(2) . . ?
C1' B6' B5' 57.8(3) . . ?
C1' B6' H6' 122(2) . . ?
C1' B6' B10' 103.1(3) . . ?
C1' B6' B11' 103.0(3) . . ?
C2' B6' B5' 104.2(3) . . ?
C2' B6' H6' 119(2) . . ?
C2' B6' B10' 104.5(3) . . ?
C2' B6' B11' 57.9(2) . . ?
B5' B6' H6' 125(2) . . ?
B10' B6' B5' 59.3(3) . . ?
B10' B6' H6' 129(2) . . ?
B10' B6' B11' 60.2(3) . . ?
B11' B6' B5' 106.8(3) . . ?
B11' B6' H6' 123(2) . . ?
C2' B7' B3' 60.4(2) . . ?
C2' B7' H7' 116(2) . . ?
C2' B7' B8' 105.7(3) . . ?
C2' B7' B11' 58.4(2) . . ?
C2' B7' B12' 104.5(3) . . ?
B3' B7' H7' 119(2) . . ?
B3' B7' B8' 59.6(3) . . ?
B3' B7' B11' 109.0(3) . . ?
B3' B7' B12' 108.2(3) . . ?
B8' B7' H7' 128.9(19) . . ?
B11' B7' H7' 117.8(19) . . ?
B11' B7' B8' 108.2(3) . . ?
B12' B7' H7' 128(2) . . ?
B12' B7' B8' 60.5(3) . . ?
B12' B7' B11' 59.5(3) . . ?
B3' B8' B4' 61.1(3) . . ?
B3' B8' B7' 59.7(3) . . ?
B3' B8' H8' 118(2) . . ?
B3' B8' B9' 108.1(3) . . ?
B3' B8' B12' 107.5(3) . . ?
B4' B8' B7' 108.1(3) . . ?
B4' B8' H8' 123(2) . . ?
B4' B8' B9' 59.2(3) . . ?
B4' B8' B12' 107.2(3) . . ?
B7' B8' H8' 118(2) . . ?
B7' B8' B9' 107.3(3) . . ?
B7' B8' B12' 59.4(3) . . ?
B9' B8' H8' 127(2) . . ?
B9' B8' B12' 59.9(3) . . ?
B12' B8' H8' 124(2) . . ?
B4' B9' B8' 59.9(3) . . ?
B4' B9' H9' 124(2) . . ?
B4' B9' B10' 108.6(3) . . ?
B4' B9' B12' 108.0(3) . . ?
B5' B9' B4' 60.9(3) . . ?
B5' B9' B8' 108.7(4) . . ?
B5' B9' H9' 121(2) . . ?
B5' B9' B10' 59.6(3) . . ?
B5' B9' B12' 107.8(3) . . ?
B8' B9' H9' 124(2) . . ?
B8' B9' B10' 108.6(3) . . ?
B10' B9' H9' 119(2) . . ?
B12' B9' B8' 60.1(3) . . ?
B12' B9' H9' 121(2) . . ?
B12' B9' B10' 60.1(3) . . ?
B5' B10' B6' 61.3(3) . . ?
B5' B10' B9' 59.2(3) . . ?
B5' B10' H10' 123(2) . . ?
B5' B10' B11' 108.4(4) . . ?
B5' B10' B12' 107.1(4) . . ?
B6' B10' B9' 108.4(4) . . ?
B6' B10' H10' 117(2) . . ?
B6' B10' B11' 60.2(3) . . ?
B6' B10' B12' 107.7(3) . . ?
B9' B10' H10' 126(2) . . ?
B9' B10' B12' 59.8(3) . . ?
B11' B10' B9' 107.2(3) . . ?
B11' B10' H10' 119(2) . . ?
B11' B10' B12' 59.1(3) . . ?
B12' B10' H10' 124(2) . . ?
C2' B11' B6' 59.6(3) . . ?
C2' B11' B7' 58.6(2) . . ?
C2' B11' B10' 105.3(3) . . ?
C2' B11' H11' 119(2) . . ?
C2' B11' B12' 105.1(3) . . ?
B6' B11' B7' 108.6(3) . . ?
B6' B11' B10' 59.6(3) . . ?
B6' B11' H11' 117(2) . . ?
B7' B11' B10' 108.7(3) . . ?
B7' B11' H11' 121(2) . . ?
B10' B11' H11' 125(2) . . ?
B12' B11' B6' 108.6(3) . . ?
B12' B11' B7' 60.0(3) . . ?
B12' B11' B10' 60.8(3) . . ?
B12' B11' H11' 127(2) . . ?
B7' B12' B8' 60.2(3) . . ?
B7' B12' B9' 108.1(3) . . ?
B7' B12' B10' 108.5(3) . . ?
B7' B12' H12' 125(2) . . ?
B8' B12' B10' 108.5(4) . . ?
B8' B12' H12' 120(2) . . ?
B9' B12' B8' 60.1(3) . . ?
B9' B12' B10' 60.1(3) . . ?
B9' B12' H12' 117(2) . . ?
B10' B12' H12' 120(2) . . ?
B11' B12' B7' 60.5(3) . . ?
B11' B12' B8' 108.8(3) . . ?
B11' B12' B9' 108.2(3) . . ?
B11' B12' B10' 60.1(3) . . ?
B11' B12' H12' 125(2) . . ?
C2' C21' H21A 109.6 . . ?
C2' C21' H21B 109.6 . . ?
H21A C21' H21B 108.2 . . ?
O22' C21' C2' 110.1(3) . . ?
O22' C21' H21A 109.6 . . ?
O22' C21' H21B 109.6 . . ?
C21' O22' C23' 110.5(3) . . ?
O22' C23' H23A 109.5 . . ?
O22' C23' H23B 109.5 . . ?
O22' C23' H23C 109.5 . . ?
H23A C23' H23B 109.5 . . ?
H23A C23' H23C 109.5 . . ?
H23B C23' H23C 109.5 . . ?
N1 C1 C2 112.4(3) . . ?
N1 C1 B3 113.9(3) . . ?
N1 C1 B4 123.5(3) . . ?
N1 C1 B5 123.9(3) . . ?
N1 C1 B6 114.2(3) . . ?
C2 C1 B3 61.8(2) . . ?
C2 C1 B4 112.9(3) . . ?
C2 C1 B5 112.8(3) . . ?
C2 C1 B6 62.1(2) . . ?
B3 C1 B6 115.8(3) . . ?
B4 C1 B3 63.5(3) . . ?
B4 C1 B5 62.7(3) . . ?
B4 C1 B6 115.9(3) . . ?
B5 C1 B3 115.8(3) . . ?
B5 C1 B6 63.5(3) . . ?
O1 N1 C1 112.4(3) . . ?
C1 C2 B3 60.8(2) . . ?
C1 C2 B6 60.8(2) . . ?
C1 C2 B7 109.7(3) . . ?
C1 C2 B11 109.8(3) . . ?
B3 C2 B6 113.9(3) . . ?
B7 C2 B3 62.5(2) . . ?
B7 C2 B6 114.0(3) . . ?
B11 C2 B3 114.3(3) . . ?
B11 C2 B6 62.4(2) . . ?
B11 C2 B7 62.7(2) . . ?
C21 C2 C1 118.8(3) . . ?
C21 C2 B3 114.7(3) . . ?
C21 C2 B6 118.7(3) . . ?
C21 C2 B7 120.5(3) . . ?
C21 C2 B11 122.9(3) . . ?
C1 B3 C2 57.4(2) . . ?
C1 B3 H3 114(2) . . ?
C1 B3 B4 57.7(2) . . ?
C1 B3 B7 103.4(3) . . ?
C1 B3 B8 103.6(3) . . ?
C2 B3 H3 116(2) . . ?
C2 B3 B4 104.6(3) . . ?
C2 B3 B7 58.0(2) . . ?
C2 B3 B8 104.6(3) . . ?
B4 B3 H3 122(2) . . ?
B7 B3 H3 128(2) . . ?
B7 B3 B4 107.6(3) . . ?
B8 B3 H3 135(2) . . ?
B8 B3 B4 60.1(3) . . ?
B8 B3 B7 60.0(3) . . ?
C1 B4 B3 58.8(2) . . ?
C1 B4 H4 115.2(19) . . ?
C1 B4 B5 58.7(2) . . ?
C1 B4 B8 103.3(3) . . ?
C1 B4 B9 103.9(3) . . ?
B3 B4 H4 114.4(19) . . ?
B5 B4 B3 108.5(3) . . ?
B5 B4 H4 121.0(18) . . ?
B5 B4 B8 108.4(3) . . ?
B8 B4 B3 58.6(3) . . ?
B8 B4 H4 127.9(18) . . ?
B9 B4 B3 107.8(3) . . ?
B9 B4 H4 132.8(19) . . ?
B9 B4 B5 59.8(3) . . ?
B9 B4 B8 60.9(3) . . ?
C1 B5 B4 58.6(2) . . ?
C1 B5 H5 118(2) . . ?
C1 B5 B6 58.9(2) . . ?
C1 B5 B9 104.0(3) . . ?
C1 B5 B10 103.6(3) . . ?
B4 B5 H5 121(2) . . ?
B4 B5 B6 108.7(3) . . ?
B6 B5 H5 117(2) . . ?
B9 B5 B4 60.0(3) . . ?
B9 B5 H5 129(2) . . ?
B9 B5 B6 108.1(3) . . ?
B9 B5 B10 60.9(3) . . ?
B10 B5 B4 108.7(3) . . ?
B10 B5 H5 127(2) . . ?
B10 B5 B6 58.9(2) . . ?
C1 B6 C2 57.1(2) . . ?
C1 B6 B5 57.6(2) . . ?
C1 B6 H6 115(2) . . ?
C1 B6 B10 103.1(3) . . ?
C1 B6 B11 103.2(3) . . ?
C2 B6 B5 104.2(3) . . ?
C2 B6 H6 116.8(19) . . ?
C2 B6 B10 104.4(3) . . ?
C2 B6 B11 57.7(2) . . ?
B5 B6 H6 122.8(18) . . ?
B10 B6 B5 59.5(3) . . ?
B10 B6 H6 134(2) . . ?
B10 B6 B11 60.7(3) . . ?
B11 B6 B5 107.6(3) . . ?
B11 B6 H6 127.4(18) . . ?
C2 B7 B3 59.5(2) . . ?
C2 B7 H7 113(2) . . ?
C2 B7 B8 105.0(3) . . ?
C2 B7 B11 58.5(2) . . ?
C2 B7 B12 104.7(3) . . ?
B3 B7 H7 113(2) . . ?
B8 B7 B3 59.0(3) . . ?
B8 B7 H7 127.3(19) . . ?
B8 B7 B11 108.9(3) . . ?
B11 B7 B3 108.5(3) . . ?
B11 B7 H7 122(2) . . ?
B12 B7 B3 107.8(3) . . ?
B12 B7 H7 134(2) . . ?
B12 B7 B8 60.8(3) . . ?
B12 B7 B11 60.1(3) . . ?
B3 B8 B4 61.2(3) . . ?
B3 B8 B7 61.0(3) . . ?
B3 B8 H8 116(2) . . ?
B3 B8 B9 108.5(3) . . ?
B3 B8 B12 108.1(3) . . ?
B4 B8 H8 124(2) . . ?
B4 B8 B9 59.2(3) . . ?
B4 B8 B12 107.1(3) . . ?
B7 B8 B4 109.2(3) . . ?
B7 B8 H8 116(2) . . ?
B7 B8 B9 107.6(3) . . ?
B7 B8 B12 59.3(3) . . ?
B9 B8 H8 128(2) . . ?
B12 B8 H8 123(2) . . ?
B12 B8 B9 59.6(3) . . ?
B4 B9 B8 59.9(3) . . ?
B4 B9 H9 122(2) . . ?
B4 B9 B10 107.8(3) . . ?
B4 B9 B12 107.9(3) . . ?
B5 B9 B4 60.1(3) . . ?
B5 B9 B8 107.8(3) . . ?
B5 B9 H9 123(2) . . ?
B5 B9 B10 59.6(3) . . ?
B5 B9 B12 107.8(3) . . ?
B8 B9 H9 121(2) . . ?
B10 B9 B8 107.8(3) . . ?
B10 B9 H9 122(2) . . ?
B12 B9 B8 59.9(3) . . ?
B12 B9 H9 121(2) . . ?
B12 B9 B10 60.1(2) . . ?
B5 B10 B9 59.5(3) . . ?
B5 B10 H10 122(2) . . ?
B5 B10 B11 109.0(3) . . ?
B5 B10 B12 107.4(3) . . ?
B6 B10 B5 61.6(3) . . ?
B6 B10 B9 109.1(3) . . ?
B6 B10 H10 118(2) . . ?
B6 B10 B11 60.5(3) . . ?
B6 B10 B12 108.1(3) . . ?
B9 B10 H10 125(2) . . ?
B11 B10 B9 107.8(3) . . ?
B11 B10 H10 119(2) . . ?
B12 B10 B9 59.7(2) . . ?
B12 B10 H10 123(2) . . ?
B12 B10 B11 59.4(2) . . ?
C2 B11 B6 60.0(2) . . ?
C2 B11 B7 58.8(2) . . ?
C2 B11 B10 104.8(3) . . ?
C2 B11 H11 120.4(19) . . ?
C2 B11 B12 104.5(3) . . ?
B6 B11 B10 58.8(2) . . ?
B6 B11 H11 121.1(16) . . ?
B7 B11 B6 108.9(3) . . ?
B7 B11 B10 107.9(3) . . ?
B7 B11 H11 119.0(16) . . ?
B10 B11 H11 126.5(18) . . ?
B12 B11 B6 107.5(3) . . ?
B12 B11 B7 59.5(3) . . ?
B12 B11 B10 60.3(2) . . ?
B12 B11 H11 125.2(18) . . ?
B7 B12 B8 59.9(3) . . ?
B7 B12 B9 108.9(3) . . ?
B7 B12 B10 108.6(3) . . ?
B7 B12 B11 60.3(3) . . ?
B7 B12 H12 122(2) . . ?
B8 B12 B10 108.4(3) . . ?
B8 B12 H12 119(2) . . ?
B9 B12 B8 60.6(3) . . ?
B9 B12 B10 60.2(2) . . ?
B9 B12 H12 119(2) . . ?
B10 B12 H12 123(2) . . ?
B11 B12 B8 108.4(3) . . ?
B11 B12 B9 109.0(3) . . ?
B11 B12 B10 60.4(2) . . ?
B11 B12 H12 124(2) . . ?
C2 C21 H21C 109.6 . . ?
C2 C21 H21D 109.6 . . ?
H21C C21 H21D 108.1 . . ?
O22 C21 C2 110.2(3) . . ?
O22 C21 H21C 109.6 . . ?
O22 C21 H21D 109.6 . . ?
C21 O22 C23 111.0(3) . . ?
O22 C23 H23D 109.5 . . ?
O22 C23 H23E 109.5 . . ?
O22 C23 H23F 109.5 . . ?
H23D C23 H23E 109.5 . . ?
H23D C23 H23F 109.5 . . ?
H23E C23 H23F 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
C1' C2' B3' B4' 34.8(3) . . . . ?
C1' C2' B3' B7' 136.9(3) . . . . ?
C1' C2' B3' B8' 96.6(3) . . . . ?
C1' C2' B6' B5' -35.1(3) . . . . ?
C1' C2' B6' B10' -96.4(3) . . . . ?
C1' C2' B6' B11' -136.2(3) . . . . ?
C1' C2' B7' B3' -39.4(3) . . . . ?
C1' C2' B7' B8' 0.7(4) . . . . ?
C1' C2' B7' B11' 102.7(3) . . . . ?
C1' C2' B7' B12' 63.6(4) . . . . ?
C1' C2' B11' B6' 40.0(3) . . . . ?
C1' C2' B11' B7' -102.5(3) . . . . ?
C1' C2' B11' B10' 0.3(4) . . . . ?
C1' C2' B11' B12' -63.0(4) . . . . ?
C1' C2' C21' O22' -83.5(4) . . . . ?
C1' B3' B4' B5' 32.1(3) . . . . ?
C1' B3' B4' B8' 133.1(4) . . . . ?
C1' B3' B4' B9' 95.1(4) . . . . ?
C1' B3' B7' C2' 35.8(3) . . . . ?
C1' B3' B7' B8' -98.2(3) . . . . ?
C1' B3' B7' B11' 2.3(4) . . . . ?
C1' B3' B7' B12' -60.9(4) . . . . ?
C1' B3' B8' B4' -39.6(3) . . . . ?
C1' B3' B8' B7' 97.5(3) . . . . ?
C1' B3' B8' B9' -2.4(4) . . . . ?
C1' B3' B8' B12' 60.8(4) . . . . ?
C1' B4' B5' B6' 32.1(3) . . . . ?
C1' B4' B5' B9' 133.0(3) . . . . ?
C1' B4' B5' B10' 95.2(3) . . . . ?
C1' B4' B8' B3' 40.1(3) . . . . ?
C1' B4' B8' B7' 1.9(5) . . . . ?
C1' B4' B8' B9' -97.9(4) . . . . ?
C1' B4' B8' B12' -60.7(4) . . . . ?
C1' B4' B9' B5' -39.7(3) . . . . ?
C1' B4' B9' B8' 98.5(3) . . . . ?
C1' B4' B9' B10' -2.6(4) . . . . ?
C1' B4' B9' B12' 61.1(4) . . . . ?
C1' B5' B6' C2' 34.8(3) . . . . ?
C1' B5' B6' B10' 133.4(3) . . . . ?
C1' B5' B6' B11' 95.0(3) . . . . ?
C1' B5' B9' B4' 40.2(3) . . . . ?
C1' B5' B9' B8' 2.7(5) . . . . ?
C1' B5' B9' B10' -98.4(4) . . . . ?
C1' B5' B9' B12' -60.9(4) . . . . ?
C1' B5' B10' B6' -39.7(3) . . . . ?
C1' B5' B10' B9' 98.5(4) . . . . ?
C1' B5' B10' B11' -0.9(4) . . . . ?
C1' B5' B10' B12' 61.4(4) . . . . ?
C1' B6' B10' B5' 39.1(3) . . . . ?
C1' B6' B10' B9' 2.1(4) . . . . ?
C1' B6' B10' B11' -97.6(3) . . . . ?
C1' B6' B10' B12' -61.1(4) . . . . ?
C1' B6' B11' C2' -36.6(3) . . . . ?
C1' B6' B11' B7' -3.3(4) . . . . ?
C1' B6' B11' B10' 97.8(3) . . . . ?
C1' B6' B11' B12' 60.3(4) . . . . ?
N1' C1' C2' B3' 105.8(4) . . . . ?
N1' C1' C2' B6' -106.4(4) . . . . ?
N1' C1' C2' B7' 145.5(3) . . . . ?
N1' C1' C2' B11' -147.1(3) . . . . ?
N1' C1' C2' C21' 1.9(5) . . . . ?
N1' C1' B3' C2' -103.8(3) . . . . ?
N1' C1' B3' B4' 116.9(4) . . . . ?
N1' C1' B3' B7' -140.3(3) . . . . ?
N1' C1' B3' B8' 157.3(3) . . . . ?
N1' C1' B4' B3' -101.7(4) . . . . ?
N1' C1' B4' B5' 114.8(4) . . . . ?
N1' C1' B4' B8' -141.9(4) . . . . ?
N1' C1' B4' B9' 155.2(4) . . . . ?
N1' C1' B5' B4' -113.6(4) . . . . ?
N1' C1' B5' B6' 102.5(4) . . . . ?
N1' C1' B5' B9' -154.1(4) . . . . ?
N1' C1' B5' B10' 142.6(4) . . . . ?
N1' C1' B6' C2' 103.4(3) . . . . ?
N1' C1' B6' B5' -117.7(4) . . . . ?
N1' C1' B6' B10' -157.6(3) . . . . ?
N1' C1' B6' B11' 140.4(3) . . . . ?
C2' C1' N1' O1' 178.1(4) . . . . ?
C2' C1' B3' B4' -139.3(3) . . . . ?
C2' C1' B3' B7' -36.5(3) . . . . ?
C2' C1' B3' B8' -98.9(3) . . . . ?
C2' C1' B4' B3' 38.8(3) . . . . ?
C2' C1' B4' B5' -104.8(4) . . . . ?
C2' C1' B4' B8' -1.5(5) . . . . ?
C2' C1' B4' B9' -64.4(4) . . . . ?
C2' C1' B5' B4' 104.9(3) . . . . ?
C2' C1' B5' B6' -39.0(3) . . . . ?
C2' C1' B5' B9' 64.4(4) . . . . ?
C2' C1' B5' B10' 1.2(4) . . . . ?
C2' C1' B6' B5' 138.8(3) . . . . ?
C2' C1' B6' B10' 98.9(3) . . . . ?
C2' C1' B6' B11' 37.0(3) . . . . ?
C2' B3' B4' C1' -34.2(3) . . . . ?
C2' B3' B4' B5' -2.0(4) . . . . ?
C2' B3' B4' B8' 98.9(4) . . . . ?
C2' B3' B4' B9' 60.9(4) . . . . ?
C2' B3' B7' B8' -134.0(3) . . . . ?
C2' B3' B7' B11' -33.5(3) . . . . ?
C2' B3' B7' B12' -96.7(3) . . . . ?
C2' B3' B8' B4' -98.1(3) . . . . ?
C2' B3' B8' B7' 39.0(3) . . . . ?
C2' B3' B8' B9' -60.9(4) . . . . ?
C2' B3' B8' B12' 2.3(4) . . . . ?
C2' B6' B10' B5' 98.1(3) . . . . ?
C2' B6' B10' B9' 61.0(4) . . . . ?
C2' B6' B10' B11' -38.7(3) . . . . ?
C2' B6' B10' B12' -2.2(4) . . . . ?
C2' B6' B11' B7' 33.3(3) . . . . ?
C2' B6' B11' B10' 134.4(3) . . . . ?
C2' B6' B11' B12' 96.9(3) . . . . ?
C2' B7' B8' B3' -40.5(3) . . . . ?
C2' B7' B8' B4' -1.6(4) . . . . ?
C2' B7' B8' B9' 60.8(4) . . . . ?
C2' B7' B8' B12' 98.0(3) . . . . ?
C2' B7' B11' B6' -33.7(3) . . . . ?
C2' B7' B11' B10' -96.9(4) . . . . ?
C2' B7' B11' B12' -134.8(3) . . . . ?
C2' B7' B12' B8' -100.1(3) . . . . ?
C2' B7' B12' B9' -62.5(4) . . . . ?
C2' B7' B12' B10' 1.1(4) . . . . ?
C2' B7' B12' B11' 38.6(3) . . . . ?
C2' B11' B12' B7' -38.8(3) . . . . ?
C2' B11' B12' B8' -1.6(4) . . . . ?
C2' B11' B12' B9' 62.1(4) . . . . ?
C2' B11' B12' B10' 99.4(4) . . . . ?
C2' C21' O22' C23' 178.7(3) . . . . ?
B3' C1' N1' O1' -113.6(4) . . . . ?
B3' C1' C2' B6' 147.7(3) . . . . ?
B3' C1' C2' B7' 39.6(3) . . . . ?
B3' C1' C2' B11' 107.1(3) . . . . ?
B3' C1' C2' C21' -103.9(4) . . . . ?
B3' C1' B4' B5' -143.5(4) . . . . ?
B3' C1' B4' B8' -40.3(3) . . . . ?
B3' C1' B4' B9' -103.2(4) . . . . ?
B3' C1' B5' B4' 36.0(3) . . . . ?
B3' C1' B5' B6' -107.9(4) . . . . ?
B3' C1' B5' B9' -4.5(5) . . . . ?
B3' C1' B5' B10' -67.8(4) . . . . ?
B3' C1' B6' C2' -31.7(3) . . . . ?
B3' C1' B6' B5' 107.1(4) . . . . ?
B3' C1' B6' B10' 67.2(4) . . . . ?
B3' C1' B6' B11' 5.2(4) . . . . ?
B3' C2' B6' C1' 30.9(3) . . . . ?
B3' C2' B6' B5' -4.2(4) . . . . ?
B3' C2' B6' B10' -65.5(4) . . . . ?
B3' C2' B6' B11' -105.4(4) . . . . ?
B3' C2' B7' B8' 40.1(3) . . . . ?
B3' C2' B7' B11' 142.1(3) . . . . ?
B3' C2' B7' B12' 103.0(3) . . . . ?
B3' C2' B11' B6' 106.3(3) . . . . ?
B3' C2' B11' B7' -36.2(3) . . . . ?
B3' C2' B11' B10' 66.6(4) . . . . ?
B3' C2' B11' B12' 3.3(4) . . . . ?
B3' C2' C21' O22' -152.9(3) . . . . ?
B3' B4' B5' C1' -32.4(3) . . . . ?
B3' B4' B5' B6' -0.3(5) . . . . ?
B3' B4' B5' B9' 100.6(4) . . . . ?
B3' B4' B5' B10' 62.8(4) . . . . ?
B3' B4' B8' B7' -38.2(3) . . . . ?
B3' B4' B8' B9' -138.0(3) . . . . ?
B3' B4' B8' B12' -100.8(3) . . . . ?
B3' B4' B9' B5' -101.0(4) . . . . ?
B3' B4' B9' B8' 37.3(3) . . . . ?
B3' B4' B9' B10' -63.9(4) . . . . ?
B3' B4' B9' B12' -0.2(4) . . . . ?
B3' B7' B8' B4' 38.8(3) . . . . ?
B3' B7' B8' B9' 101.2(4) . . . . ?
B3' B7' B8' B12' 138.5(3) . . . . ?
B3' B7' B11' C2' 34.3(3) . . . . ?
B3' B7' B11' B6' 0.7(5) . . . . ?
B3' B7' B11' B10' -62.6(4) . . . . ?
B3' B7' B11' B12' -100.5(4) . . . . ?
B3' B7' B12' B8' -37.0(3) . . . . ?
B3' B7' B12' B9' 0.5(4) . . . . ?
B3' B7' B12' B10' 64.2(4) . . . . ?
B3' B7' B12' B11' 101.7(3) . . . . ?
B3' B8' B9' B4' -38.1(3) . . . . ?
B3' B8' B9' B5' -0.2(5) . . . . ?
B3' B8' B9' B10' 63.1(4) . . . . ?
B3' B8' B9' B12' 100.1(4) . . . . ?
B3' B8' B12' B7' 36.9(3) . . . . ?
B3' B8' B12' B9' -101.2(4) . . . . ?
B3' B8' B12' B10' -64.3(4) . . . . ?
B3' B8' B12' B11' -0.5(4) . . . . ?
B4' C1' N1' O1' -41.3(6) . . . . ?
B4' C1' C2' B3' -39.1(3) . . . . ?
B4' C1' C2' B6' 108.7(4) . . . . ?
B4' C1' C2' B7' 0.5(4) . . . . ?
B4' C1' C2' B11' 68.0(4) . . . . ?
B4' C1' C2' C21' -143.0(3) . . . . ?
B4' C1' B3' C2' 139.3(3) . . . . ?
B4' C1' B3' B7' 102.8(4) . . . . ?
B4' C1' B3' B8' 40.4(3) . . . . ?
B4' C1' B5' B6' -143.9(3) . . . . ?
B4' C1' B5' B9' -40.5(3) . . . . ?
B4' C1' B5' B10' -103.8(4) . . . . ?
B4' C1' B6' C2' -103.0(3) . . . . ?
B4' C1' B6' B5' 35.8(3) . . . . ?
B4' C1' B6' B10' -4.1(4) . . . . ?
B4' C1' B6' B11' -66.1(4) . . . . ?
B4' B3' B7' C2' 96.0(3) . . . . ?
B4' B3' B7' B8' -38.0(3) . . . . ?
B4' B3' B7' B11' 62.5(4) . . . . ?
B4' B3' B7' B12' -0.6(4) . . . . ?
B4' B3' B8' B7' 137.1(3) . . . . ?
B4' B3' B8' B9' 37.2(3) . . . . ?
B4' B3' B8' B12' 100.4(4) . . . . ?
B4' B5' B6' C1' -32.2(3) . . . . ?
B4' B5' B6' C2' 2.6(4) . . . . ?
B4' B5' B6' B10' 101.2(4) . . . . ?
B4' B5' B6' B11' 62.9(4) . . . . ?
B4' B5' B9' B8' -37.5(3) . . . . ?
B4' B5' B9' B10' -138.5(4) . . . . ?
B4' B5' B9' B12' -101.1(4) . . . . ?
B4' B5' B10' B6' -101.1(4) . . . . ?
B4' B5' B10' B9' 37.1(3) . . . . ?
B4' B5' B10' B11' -62.3(4) . . . . ?
B4' B5' B10' B12' 0.0(4) . . . . ?
B4' B8' B9' B5' 37.9(3) . . . . ?
B4' B8' B9' B10' 101.2(4) . . . . ?
B4' B8' B9' B12' 138.2(3) . . . . ?
B4' B8' B12' B7' 101.2(4) . . . . ?
B4' B8' B12' B9' -36.8(3) . . . . ?
B4' B8' B12' B10' 0.1(4) . . . . ?
B4' B8' B12' B11' 63.9(4) . . . . ?
B4' B9' B10' B5' -37.6(3) . . . . ?
B4' B9' B10' B6' 0.3(5) . . . . ?
B4' B9' B10' B11' 63.9(4) . . . . ?
B4' B9' B10' B12' 100.5(4) . . . . ?
B4' B9' B12' B7' -0.2(4) . . . . ?
B4' B9' B12' B8' 37.4(3) . . . . ?
B4' B9' B12' B10' -101.6(4) . . . . ?
B4' B9' B12' B11' -64.3(4) . . . . ?
B5' C1' N1' O1' 36.6(6) . . . . ?
B5' C1' C2' B3' -108.0(4) . . . . ?
B5' C1' C2' B6' 39.7(3) . . . . ?
B5' C1' C2' B7' -68.4(4) . . . . ?
B5' C1' C2' B11' -0.9(4) . . . . ?
B5' C1' C2' C21' 148.1(3) . . . . ?
B5' C1' B3' C2' 103.4(4) . . . . ?
B5' C1' B3' B4' -35.9(4) . . . . ?
B5' C1' B3' B7' 66.9(4) . . . . ?
B5' C1' B3' B8' 4.4(4) . . . . ?
B5' C1' B4' B3' 143.5(4) . . . . ?
B5' C1' B4' B8' 103.3(4) . . . . ?
B5' C1' B4' B9' 40.4(3) . . . . ?
B5' C1' B6' C2' -138.8(3) . . . . ?
B5' C1' B6' B10' -39.9(3) . . . . ?
B5' C1' B6' B11' -101.9(3) . . . . ?
B5' B4' B8' B3' 100.8(3) . . . . ?
B5' B4' B8' B7' 62.6(4) . . . . ?
B5' B4' B8' B9' -37.2(3) . . . . ?
B5' B4' B8' B12' -0.1(4) . . . . ?
B5' B4' B9' B8' 138.2(3) . . . . ?
B5' B4' B9' B10' 37.1(3) . . . . ?
B5' B4' B9' B12' 100.8(4) . . . . ?
B5' B6' B10' B9' -37.1(3) . . . . ?
B5' B6' B10' B11' -136.8(4) . . . . ?
B5' B6' B10' B12' -100.3(4) . . . . ?
B5' B6' B11' C2' -96.5(3) . . . . ?
B5' B6' B11' B7' -63.2(4) . . . . ?
B5' B6' B11' B10' 38.0(3) . . . . ?
B5' B6' B11' B12' 0.5(4) . . . . ?
B5' B9' B10' B6' 38.0(3) . . . . ?
B5' B9' B10' B11' 101.5(4) . . . . ?
B5' B9' B10' B12' 138.1(4) . . . . ?
B5' B9' B12' B7' 64.1(4) . . . . ?
B5' B9' B12' B8' 101.7(4) . . . . ?
B5' B9' B12' B10' -37.2(3) . . . . ?
B5' B9' B12' B11' 0.1(5) . . . . ?
B5' B10' B11' C2' 0.4(4) . . . . ?
B5' B10' B11' B6' -39.3(3) . . . . ?
B5' B10' B11' B7' 61.9(4) . . . . ?
B5' B10' B11' B12' 99.4(4) . . . . ?
B5' B10' B12' B7' -63.9(4) . . . . ?
B5' B10' B12' B8' 0.0(4) . . . . ?
B5' B10' B12' B9' 36.8(3) . . . . ?
B5' B10' B12' B11' -101.5(4) . . . . ?
B6' C1' N1' O1' 110.1(4) . . . . ?
B6' C1' C2' B3' -147.7(3) . . . . ?
B6' C1' C2' B7' -108.1(3) . . . . ?
B6' C1' C2' B11' -40.7(3) . . . . ?
B6' C1' C2' C21' 108.4(4) . . . . ?
B6' C1' B3' C2' 31.6(3) . . . . ?
B6' C1' B3' B4' -107.7(4) . . . . ?
B6' C1' B3' B7' -4.8(4) . . . . ?
B6' C1' B3' B8' -67.3(4) . . . . ?
B6' C1' B4' B3' 107.5(4) . . . . ?
B6' C1' B4' B5' -36.0(3) . . . . ?
B6' C1' B4' B8' 67.2(4) . . . . ?
B6' C1' B4' B9' 4.3(4) . . . . ?
B6' C1' B5' B4' 143.9(3) . . . . ?
B6' C1' B5' B9' 103.4(4) . . . . ?
B6' C1' B5' B10' 40.2(3) . . . . ?
B6' C2' B3' C1' -30.8(3) . . . . ?
B6' C2' B3' B4' 4.0(4) . . . . ?
B6' C2' B3' B7' 106.1(4) . . . . ?
B6' C2' B3' B8' 65.7(4) . . . . ?
B6' C2' B7' B3' -105.6(4) . . . . ?
B6' C2' B7' B8' -65.5(4) . . . . ?
B6' C2' B7' B11' 36.5(3) . . . . ?
B6' C2' B7' B12' -2.7(4) . . . . ?
B6' C2' B11' B7' -142.5(3) . . . . ?
B6' C2' B11' B10' -39.7(3) . . . . ?
B6' C2' B11' B12' -103.0(3) . . . . ?
B6' C2' C21' O22' -12.7(5) . . . . ?
B6' B5' B9' B4' 101.3(4) . . . . ?
B6' B5' B9' B8' 63.8(5) . . . . ?
B6' B5' B9' B10' -37.2(3) . . . . ?
B6' B5' B9' B12' 0.2(5) . . . . ?
B6' B5' B10' B9' 138.2(4) . . . . ?
B6' B5' B10' B11' 38.8(3) . . . . ?
B6' B5' B10' B12' 101.1(4) . . . . ?
B6' B10' B11' C2' 39.7(3) . . . . ?
B6' B10' B11' B7' 101.1(4) . . . . ?
B6' B10' B11' B12' 138.6(4) . . . . ?
B6' B10' B12' B7' 0.7(5) . . . . ?
B6' B10' B12' B8' 64.5(4) . . . . ?
B6' B10' B12' B9' 101.4(4) . . . . ?
B6' B10' B12' B11' -37.0(3) . . . . ?
B6' B11' B12' B7' -101.3(4) . . . . ?
B6' B11' B12' B8' -64.0(4) . . . . ?
B6' B11' B12' B9' -0.3(5) . . . . ?
B6' B11' B12' B10' 37.0(3) . . . . ?
B7' C2' B3' C1' -136.9(3) . . . . ?
B7' C2' B3' B4' -102.1(4) . . . . ?
B7' C2' B3' B8' -40.4(3) . . . . ?
B7' C2' B6' C1' 99.5(3) . . . . ?
B7' C2' B6' B5' 64.5(4) . . . . ?
B7' C2' B6' B10' 3.1(4) . . . . ?
B7' C2' B6' B11' -36.7(3) . . . . ?
B7' C2' B11' B6' 142.5(3) . . . . ?
B7' C2' B11' B10' 102.8(3) . . . . ?
B7' C2' B11' B12' 39.5(3) . . . . ?
B7' C2' C21' O22' 136.8(3) . . . . ?
B7' B3' B4' C1' -94.6(3) . . . . ?
B7' B3' B4' B5' -62.5(4) . . . . ?
B7' B3' B4' B8' 38.5(3) . . . . ?
B7' B3' B4' B9' 0.5(4) . . . . ?
B7' B3' B8' B4' -137.1(4) . . . . ?
B7' B3' B8' B9' -99.9(4) . . . . ?
B7' B3' B8' B12' -36.7(3) . . . . ?
B7' B8' B9' B4' -101.1(4) . . . . ?
B7' B8' B9' B5' -63.2(4) . . . . ?
B7' B8' B9' B10' 0.1(5) . . . . ?
B7' B8' B9' B12' 37.0(3) . . . . ?
B7' B8' B12' B9' -138.1(3) . . . . ?
B7' B8' B12' B10' -101.2(4) . . . . ?
B7' B8' B12' B11' -37.4(3) . . . . ?
B7' B11' B12' B8' 37.2(3) . . . . ?
B7' B11' B12' B9' 100.9(4) . . . . ?
B7' B11' B12' B10' 138.2(4) . . . . ?
B8' B3' B4' C1' -133.1(4) . . . . ?
B8' B3' B4' B5' -100.9(4) . . . . ?
B8' B3' B4' B9' -38.0(3) . . . . ?
B8' B3' B7' C2' 134.0(3) . . . . ?
B8' B3' B7' B11' 100.5(4) . . . . ?
B8' B3' B7' B12' 37.4(3) . . . . ?
B8' B4' B5' C1' -95.2(4) . . . . ?
B8' B4' B5' B6' -63.1(4) . . . . ?
B8' B4' B5' B9' 37.8(3) . . . . ?
B8' B4' B5' B10' 0.0(4) . . . . ?
B8' B4' B9' B5' -138.2(3) . . . . ?
B8' B4' B9' B10' -101.1(4) . . . . ?
B8' B4' B9' B12' -37.4(3) . . . . ?
B8' B7' B11' C2' 97.6(3) . . . . ?
B8' B7' B11' B6' 63.9(4) . . . . ?
B8' B7' B11' B10' 0.7(5) . . . . ?
B8' B7' B11' B12' -37.2(3) . . . . ?
B8' B7' B12' B9' 37.5(3) . . . . ?
B8' B7' B12' B10' 101.2(4) . . . . ?
B8' B7' B12' B11' 138.7(3) . . . . ?
B8' B9' B10' B5' -101.2(4) . . . . ?
B8' B9' B10' B6' -63.3(4) . . . . ?
B8' B9' B10' B11' 0.3(5) . . . . ?
B8' B9' B10' B12' 36.9(3) . . . . ?
B8' B9' B12' B7' -37.6(3) . . . . ?
B8' B9' B12' B10' -138.9(4) . . . . ?
B8' B9' B12' B11' -101.6(4) . . . . ?
B9' B4' B5' C1' -133.0(3) . . . . ?
B9' B4' B5' B6' -101.0(4) . . . . ?
B9' B4' B5' B10' -37.8(3) . . . . ?
B9' B4' B8' B3' 138.0(3) . . . . ?
B9' B4' B8' B7' 99.8(4) . . . . ?
B9' B4' B8' B12' 37.1(3) . . . . ?
B9' B5' B6' C1' -95.4(4) . . . . ?
B9' B5' B6' C2' -60.6(4) . . . . ?
B9' B5' B6' B10' 38.0(3) . . . . ?
B9' B5' B6' B11' -0.4(5) . . . . ?
B9' B5' B10' B6' -138.2(4) . . . . ?
B9' B5' B10' B11' -99.5(4) . . . . ?
B9' B5' B10' B12' -37.1(3) . . . . ?
B9' B8' B12' B7' 138.1(3) . . . . ?
B9' B8' B12' B10' 36.9(3) . . . . ?
B9' B8' B12' B11' 100.7(4) . . . . ?
B9' B10' B11' C2' -62.0(4) . . . . ?
B9' B10' B11' B6' -101.7(4) . . . . ?
B9' B10' B11' B7' -0.6(5) . . . . ?
B9' B10' B11' B12' 36.9(3) . . . . ?
B9' B10' B12' B7' -100.7(4) . . . . ?
B9' B10' B12' B8' -36.9(3) . . . . ?
B9' B10' B12' B11' -138.4(4) . . . . ?
B10' B5' B6' C1' -133.4(3) . . . . ?
B10' B5' B6' C2' -98.6(3) . . . . ?
B10' B5' B6' B11' -38.4(3) . . . . ?
B10' B5' B9' B4' 138.5(4) . . . . ?
B10' B5' B9' B8' 101.0(4) . . . . ?
B10' B5' B9' B12' 37.4(3) . . . . ?
B10' B6' B11' C2' -134.4(3) . . . . ?
B10' B6' B11' B7' -101.2(4) . . . . ?
B10' B6' B11' B12' -37.5(3) . . . . ?
B10' B9' B12' B7' 101.4(4) . . . . ?
B10' B9' B12' B8' 138.9(4) . . . . ?
B10' B9' B12' B11' 37.3(3) . . . . ?
B10' B11' B12' B7' -138.2(4) . . . . ?
B10' B11' B12' B8' -101.0(4) . . . . ?
B10' B11' B12' B9' -37.3(3) . . . . ?
B11' C2' B3' C1' -100.2(3) . . . . ?
B11' C2' B3' B4' -65.4(4) . . . . ?
B11' C2' B3' B7' 36.8(3) . . . . ?
B11' C2' B3' B8' -3.6(4) . . . . ?
B11' C2' B6' C1' 136.2(3) . . . . ?
B11' C2' B6' B5' 101.2(3) . . . . ?
B11' C2' B6' B10' 39.8(3) . . . . ?
B11' C2' B7' B3' -142.1(3) . . . . ?
B11' C2' B7' B8' -102.0(4) . . . . ?
B11' C2' B7' B12' -39.2(3) . . . . ?
B11' C2' C21' O22' 61.4(5) . . . . ?
B11' B6' B10' B5' 136.8(4) . . . . ?
B11' B6' B10' B9' 99.7(4) . . . . ?
B11' B6' B10' B12' 36.5(3) . . . . ?
B11' B7' B8' B3' -101.7(4) . . . . ?
B11' B7' B8' B4' -62.9(4) . . . . ?
B11' B7' B8' B9' -0.5(4) . . . . ?
B11' B7' B8' B12' 36.8(3) . . . . ?
B11' B7' B12' B8' -138.7(3) . . . . ?
B11' B7' B12' B9' -101.2(4) . . . . ?
B11' B7' B12' B10' -37.5(3) . . . . ?
B11' B10' B12' B7' 37.7(3) . . . . ?
B11' B10' B12' B8' 101.5(4) . . . . ?
B11' B10' B12' B9' 138.4(4) . . . . ?
B12' B7' B8' B3' -138.5(3) . . . . ?
B12' B7' B8' B4' -99.7(4) . . . . ?
B12' B7' B8' B9' -37.3(3) . . . . ?
B12' B7' B11' C2' 134.8(3) . . . . ?
B12' B7' B11' B6' 101.1(4) . . . . ?
B12' B7' B11' B10' 37.9(3) . . . . ?
B12' B8' B9' B4' -138.2(3) . . . . ?
B12' B8' B9' B5' -100.3(4) . . . . ?
B12' B8' B9' B10' -36.9(3) . . . . ?
B12' B9' B10' B5' -138.1(4) . . . . ?
B12' B9' B10' B6' -100.2(4) . . . . ?
B12' B9' B10' B11' -36.6(3) . . . . ?
B12' B10' B11' C2' -98.9(3) . . . . ?
B12' B10' B11' B6' -138.6(4) . . . . ?
B12' B10' B11' B7' -37.5(3) . . . . ?
C21' C2' B3' C1' 111.0(4) . . . . ?
C21' C2' B3' B4' 145.8(3) . . . . ?
C21' C2' B3' B7' -112.1(4) . . . . ?
C21' C2' B3' B8' -152.4(3) . . . . ?
C21' C2' B6' C1' -109.5(4) . . . . ?
C21' C2' B6' B5' -144.5(4) . . . . ?
C21' C2' B6' B10' 154.1(4) . . . . ?
C21' C2' B6' B11' 114.3(4) . . . . ?
C21' C2' B7' B3' 103.8(4) . . . . ?
C21' C2' B7' B8' 143.9(4) . . . . ?
C21' C2' B7' B11' -114.1(4) . . . . ?
C21' C2' B7' B12' -153.2(3) . . . . ?
C21' C2' B11' B6' -107.7(4) . . . . ?
C21' C2' B11' B7' 109.8(4) . . . . ?
C21' C2' B11' B10' -147.4(3) . . . . ?
C21' C2' B11' B12' 149.3(3) . . . . ?
C1 C2 B3 B4 34.7(3) . . . . ?
C1 C2 B3 B7 136.5(3) . . . . ?
C1 C2 B3 B8 97.0(3) . . . . ?
C1 C2 B6 B5 -34.8(3) . . . . ?
C1 C2 B6 B10 -96.4(3) . . . . ?
C1 C2 B6 B11 -136.9(3) . . . . ?
C1 C2 B7 B3 -39.6(3) . . . . ?
C1 C2 B7 B8 -0.5(4) . . . . ?
C1 C2 B7 B11 102.7(3) . . . . ?
C1 C2 B7 B12 62.6(4) . . . . ?
C1 C2 B11 B6 39.4(3) . . . . ?
C1 C2 B11 B7 -102.5(3) . . . . ?
C1 C2 B11 B10 -0.2(4) . . . . ?
C1 C2 B11 B12 -62.7(3) . . . . ?
C1 C2 C21 O22 -82.3(4) . . . . ?
C1 B3 B4 B5 32.5(3) . . . . ?
C1 B3 B4 B8 133.2(3) . . . . ?
C1 B3 B4 B9 95.8(3) . . . . ?
C1 B3 B7 C2 36.6(3) . . . . ?
C1 B3 B7 B8 -98.2(3) . . . . ?
C1 B3 B7 B11 3.2(4) . . . . ?
C1 B3 B7 B12 -60.4(4) . . . . ?
C1 B3 B8 B4 -39.3(3) . . . . ?
C1 B3 B8 B7 97.8(3) . . . . ?
C1 B3 B8 B9 -2.5(4) . . . . ?
C1 B3 B8 B12 60.6(4) . . . . ?
C1 B4 B5 B6 32.3(3) . . . . ?
C1 B4 B5 B9 132.8(3) . . . . ?
C1 B4 B5 B10 94.8(3) . . . . ?
C1 B4 B8 B3 39.8(3) . . . . ?
C1 B4 B8 B7 0.8(4) . . . . ?
C1 B4 B8 B9 -98.7(3) . . . . ?
C1 B4 B8 B12 -61.9(4) . . . . ?
C1 B4 B9 B5 -40.2(3) . . . . ?
C1 B4 B9 B8 97.6(3) . . . . ?
C1 B4 B9 B10 -3.0(4) . . . . ?
C1 B4 B9 B12 60.5(4) . . . . ?
C1 B5 B6 C2 34.6(3) . . . . ?
C1 B5 B6 B10 133.2(3) . . . . ?
C1 B5 B6 B11 94.7(3) . . . . ?
C1 B5 B9 B4 40.2(3) . . . . ?
C1 B5 B9 B8 2.6(4) . . . . ?
C1 B5 B9 B10 -97.9(3) . . . . ?
C1 B5 B9 B12 -60.6(4) . . . . ?
C1 B5 B10 B6 -40.0(3) . . . . ?
C1 B5 B10 B9 98.7(3) . . . . ?
C1 B5 B10 B11 -1.2(4) . . . . ?
C1 B5 B10 B12 61.6(4) . . . . ?
C1 B6 B10 B5 39.2(3) . . . . ?
C1 B6 B10 B9 2.2(4) . . . . ?
C1 B6 B10 B11 -97.9(3) . . . . ?
C1 B6 B10 B12 -61.2(4) . . . . ?
C1 B6 B11 C2 -36.1(3) . . . . ?
C1 B6 B11 B7 -2.2(4) . . . . ?
C1 B6 B11 B10 97.8(3) . . . . ?
C1 B6 B11 B12 60.8(4) . . . . ?
N1 C1 C2 B3 106.0(3) . . . . ?
N1 C1 C2 B6 -106.4(3) . . . . ?
N1 C1 C2 B7 146.4(3) . . . . ?
N1 C1 C2 B11 -146.5(3) . . . . ?
N1 C1 C2 C21 2.2(4) . . . . ?
N1 C1 B3 C2 -103.7(3) . . . . ?
N1 C1 B3 B4 117.0(4) . . . . ?
N1 C1 B3 B7 -140.5(3) . . . . ?
N1 C1 B3 B8 157.5(3) . . . . ?
N1 C1 B4 B3 -102.3(4) . . . . ?
N1 C1 B4 B5 114.3(4) . . . . ?
N1 C1 B4 B8 -142.1(3) . . . . ?
N1 C1 B4 B9 155.1(3) . . . . ?
N1 C1 B5 B4 -113.7(4) . . . . ?
N1 C1 B5 B6 102.5(4) . . . . ?
N1 C1 B5 B9 -154.6(3) . . . . ?
N1 C1 B5 B10 142.5(3) . . . . ?
N1 C1 B6 C2 103.6(3) . . . . ?
N1 C1 B6 B5 -117.3(3) . . . . ?
N1 C1 B6 B10 -157.5(3) . . . . ?
N1 C1 B6 B11 140.0(3) . . . . ?
C2 C1 N1 O1 179.7(3) . . . . ?
C2 C1 B3 B4 -139.4(3) . . . . ?
C2 C1 B3 B7 -36.9(3) . . . . ?
C2 C1 B3 B8 -98.8(3) . . . . ?
C2 C1 B4 B3 38.5(3) . . . . ?
C2 C1 B4 B5 -104.9(3) . . . . ?
C2 C1 B4 B8 -1.2(4) . . . . ?
C2 C1 B4 B9 -64.1(4) . . . . ?
C2 C1 B5 B4 104.9(3) . . . . ?
C2 C1 B5 B6 -38.9(3) . . . . ?
C2 C1 B5 B9 64.0(4) . . . . ?
C2 C1 B5 B10 1.1(4) . . . . ?
C2 C1 B6 B5 139.1(3) . . . . ?
C2 C1 B6 B10 98.9(3) . . . . ?
C2 C1 B6 B11 36.4(3) . . . . ?
C2 B3 B4 C1 -34.5(3) . . . . ?
C2 B3 B4 B5 -2.1(4) . . . . ?
C2 B3 B4 B8 98.7(3) . . . . ?
C2 B3 B4 B9 61.2(4) . . . . ?
C2 B3 B7 B8 -134.7(3) . . . . ?
C2 B3 B7 B11 -33.4(3) . . . . ?
C2 B3 B7 B12 -97.0(3) . . . . ?
C2 B3 B8 B4 -98.7(3) . . . . ?
C2 B3 B8 B7 38.5(3) . . . . ?
C2 B3 B8 B9 -61.8(4) . . . . ?
C2 B3 B8 B12 1.3(4) . . . . ?
C2 B6 B10 B5 98.2(3) . . . . ?
C2 B6 B10 B9 61.1(4) . . . . ?
C2 B6 B10 B11 -39.0(3) . . . . ?
C2 B6 B10 B12 -2.2(4) . . . . ?
C2 B6 B11 B7 33.9(3) . . . . ?
C2 B6 B11 B10 133.9(3) . . . . ?
C2 B6 B11 B12 96.9(3) . . . . ?
C2 B7 B8 B3 -39.3(3) . . . . ?
C2 B7 B8 B4 -0.2(4) . . . . ?
C2 B7 B8 B9 62.5(4) . . . . ?
C2 B7 B8 B12 98.7(3) . . . . ?
C2 B7 B11 B6 -34.4(3) . . . . ?
C2 B7 B11 B10 -96.7(3) . . . . ?
C2 B7 B11 B12 -134.1(3) . . . . ?
C2 B7 B12 B8 -99.2(3) . . . . ?
C2 B7 B12 B9 -62.2(4) . . . . ?
C2 B7 B12 B10 1.8(4) . . . . ?
C2 B7 B12 B11 39.3(3) . . . . ?
C2 B11 B12 B7 -39.4(3) . . . . ?
C2 B11 B12 B8 -2.3(4) . . . . ?
C2 B11 B12 B9 62.1(4) . . . . ?
C2 B11 B12 B10 98.9(3) . . . . ?
C2 C21 O22 C23 177.8(3) . . . . ?
B3 C1 N1 O1 -112.3(4) . . . . ?
B3 C1 C2 B6 147.5(3) . . . . ?
B3 C1 C2 B7 40.4(3) . . . . ?
B3 C1 C2 B11 107.5(3) . . . . ?
B3 C1 C2 C21 -103.8(4) . . . . ?
B3 C1 B4 B5 -143.4(3) . . . . ?
B3 C1 B4 B8 -39.7(3) . . . . ?
B3 C1 B4 B9 -102.6(3) . . . . ?
B3 C1 B5 B4 36.3(3) . . . . ?
B3 C1 B5 B6 -107.5(3) . . . . ?
B3 C1 B5 B9 -4.6(4) . . . . ?
B3 C1 B5 B10 -67.5(4) . . . . ?
B3 C1 B6 C2 -31.7(3) . . . . ?
B3 C1 B6 B5 107.4(3) . . . . ?
B3 C1 B6 B10 67.2(4) . . . . ?
B3 C1 B6 B11 4.7(4) . . . . ?
B3 C2 B6 C1 30.8(3) . . . . ?
B3 C2 B6 B5 -4.0(4) . . . . ?
B3 C2 B6 B10 -65.6(4) . . . . ?
B3 C2 B6 B11 -106.0(3) . . . . ?
B3 C2 B7 B8 39.1(3) . . . . ?
B3 C2 B7 B11 142.3(3) . . . . ?
B3 C2 B7 B12 102.2(3) . . . . ?
B3 C2 B11 B6 105.4(3) . . . . ?
B3 C2 B11 B7 -36.5(3) . . . . ?
B3 C2 B11 B10 65.8(4) . . . . ?
B3 C2 B11 B12 3.3(4) . . . . ?
B3 C2 C21 O22 -151.1(3) . . . . ?
B3 B4 B5 C1 -32.5(3) . . . . ?
B3 B4 B5 B6 -0.2(4) . . . . ?
B3 B4 B5 B9 100.3(4) . . . . ?
B3 B4 B5 B10 62.3(4) . . . . ?
B3 B4 B8 B7 -39.0(3) . . . . ?
B3 B4 B8 B9 -138.5(3) . . . . ?
B3 B4 B8 B12 -101.7(3) . . . . ?
B3 B4 B9 B5 -101.4(3) . . . . ?
B3 B4 B9 B8 36.4(3) . . . . ?
B3 B4 B9 B10 -64.2(4) . . . . ?
B3 B4 B9 B12 -0.7(4) . . . . ?
B3 B7 B8 B4 39.1(3) . . . . ?
B3 B7 B8 B9 101.8(3) . . . . ?
B3 B7 B8 B12 138.0(3) . . . . ?
B3 B7 B11 C2 33.7(3) . . . . ?
B3 B7 B11 B6 -0.6(4) . . . . ?
B3 B7 B11 B10 -63.0(4) . . . . ?
B3 B7 B11 B12 -100.3(3) . . . . ?
B3 B7 B12 B8 -37.0(3) . . . . ?
B3 B7 B12 B9 0.0(4) . . . . ?
B3 B7 B12 B10 63.9(4) . . . . ?
B3 B7 B12 B11 101.5(3) . . . . ?
B3 B8 B9 B4 -37.7(3) . . . . ?
B3 B8 B9 B5 0.0(4) . . . . ?
B3 B8 B9 B10 62.9(4) . . . . ?
B3 B8 B9 B12 100.6(3) . . . . ?
B3 B8 B12 B7 38.0(3) . . . . ?
B3 B8 B12 B9 -101.3(3) . . . . ?
B3 B8 B12 B10 -63.4(4) . . . . ?
B3 B8 B12 B11 0.6(4) . . . . ?
B4 C1 N1 O1 -39.3(5) . . . . ?
B4 C1 C2 B3 -39.3(3) . . . . ?
B4 C1 C2 B6 108.3(3) . . . . ?
B4 C1 C2 B7 1.2(4) . . . . ?
B4 C1 C2 B11 68.2(4) . . . . ?
B4 C1 C2 C21 -143.0(3) . . . . ?
B4 C1 B3 C2 139.4(3) . . . . ?
B4 C1 B3 B7 102.5(3) . . . . ?
B4 C1 B3 B8 40.6(3) . . . . ?
B4 C1 B5 B6 -143.8(3) . . . . ?
B4 C1 B5 B9 -40.9(3) . . . . ?
B4 C1 B5 B10 -103.8(3) . . . . ?
B4 C1 B6 C2 -103.4(3) . . . . ?
B4 C1 B6 B5 35.7(3) . . . . ?
B4 C1 B6 B10 -4.5(4) . . . . ?
B4 C1 B6 B11 -66.9(4) . . . . ?
B4 B3 B7 C2 96.5(3) . . . . ?
B4 B3 B7 B8 -38.2(3) . . . . ?
B4 B3 B7 B11 63.2(4) . . . . ?
B4 B3 B7 B12 -0.4(4) . . . . ?
B4 B3 B8 B7 137.2(3) . . . . ?
B4 B3 B8 B9 36.8(3) . . . . ?
B4 B3 B8 B12 99.9(3) . . . . ?
B4 B5 B6 C1 -32.2(3) . . . . ?
B4 B5 B6 C2 2.4(4) . . . . ?
B4 B5 B6 B10 101.0(3) . . . . ?
B4 B5 B6 B11 62.5(4) . . . . ?
B4 B5 B9 B8 -37.6(3) . . . . ?
B4 B5 B9 B10 -138.1(3) . . . . ?
B4 B5 B9 B12 -100.8(4) . . . . ?
B4 B5 B10 B6 -101.0(3) . . . . ?
B4 B5 B10 B9 37.6(3) . . . . ?
B4 B5 B10 B11 -62.2(4) . . . . ?
B4 B5 B10 B12 0.6(4) . . . . ?
B4 B8 B9 B5 37.7(3) . . . . ?
B4 B8 B9 B10 100.7(3) . . . . ?
B4 B8 B9 B12 138.3(3) . . . . ?
B4 B8 B12 B7 102.6(3) . . . . ?
B4 B8 B12 B9 -36.7(3) . . . . ?
B4 B8 B12 B10 1.3(4) . . . . ?
B4 B8 B12 B11 65.2(4) . . . . ?
B4 B9 B10 B5 -37.4(3) . . . . ?
B4 B9 B10 B6 0.5(4) . . . . ?
B4 B9 B10 B11 64.6(4) . . . . ?
B4 B9 B10 B12 100.8(3) . . . . ?
B4 B9 B12 B7 0.5(4) . . . . ?
B4 B9 B12 B8 37.2(3) . . . . ?
B4 B9 B12 B10 -100.6(3) . . . . ?
B4 B9 B12 B11 -63.7(4) . . . . ?
B5 C1 N1 O1 38.2(5) . . . . ?
B5 C1 C2 B3 -108.0(3) . . . . ?
B5 C1 C2 B6 39.5(3) . . . . ?
B5 C1 C2 B7 -67.6(4) . . . . ?
B5 C1 C2 B11 -0.6(4) . . . . ?
B5 C1 C2 C21 148.2(3) . . . . ?
B5 C1 B3 C2 103.3(3) . . . . ?
B5 C1 B3 B4 -36.0(3) . . . . ?
B5 C1 B3 B7 66.5(4) . . . . ?
B5 C1 B3 B8 4.5(4) . . . . ?
B5 C1 B4 B3 143.4(3) . . . . ?
B5 C1 B4 B8 103.7(3) . . . . ?
B5 C1 B4 B9 40.8(3) . . . . ?
B5 C1 B6 C2 -139.1(3) . . . . ?
B5 C1 B6 B10 -40.2(3) . . . . ?
B5 C1 B6 B11 -102.7(3) . . . . ?
B5 B4 B8 B3 100.8(3) . . . . ?
B5 B4 B8 B7 61.8(4) . . . . ?
B5 B4 B8 B9 -37.7(3) . . . . ?
B5 B4 B8 B12 -0.9(4) . . . . ?
B5 B4 B9 B8 137.8(3) . . . . ?
B5 B4 B9 B10 37.2(3) . . . . ?
B5 B4 B9 B12 100.7(3) . . . . ?
B5 B6 B10 B9 -37.0(3) . . . . ?
B5 B6 B10 B11 -137.1(3) . . . . ?
B5 B6 B10 B12 -100.4(3) . . . . ?
B5 B6 B11 C2 -95.9(3) . . . . ?
B5 B6 B11 B7 -62.0(4) . . . . ?
B5 B6 B11 B10 38.0(3) . . . . ?
B5 B6 B11 B12 1.0(4) . . . . ?
B5 B9 B10 B6 37.9(3) . . . . ?
B5 B9 B10 B11 102.0(4) . . . . ?
B5 B9 B10 B12 138.3(3) . . . . ?
B5 B9 B12 B7 64.0(4) . . . . ?
B5 B9 B12 B8 100.7(4) . . . . ?
B5 B9 B12 B10 -37.1(3) . . . . ?
B5 B9 B12 B11 -0.2(4) . . . . ?
B5 B10 B11 C2 0.9(4) . . . . ?
B5 B10 B11 B6 -39.3(3) . . . . ?
B5 B10 B11 B7 62.3(4) . . . . ?
B5 B10 B11 B12 99.4(3) . . . . ?
B5 B10 B12 B7 -64.7(4) . . . . ?
B5 B10 B12 B8 -1.1(4) . . . . ?
B5 B10 B12 B9 36.9(3) . . . . ?
B5 B10 B12 B11 -102.2(4) . . . . ?
B6 C1 N1 O1 111.5(4) . . . . ?
B6 C1 C2 B3 -147.5(3) . . . . ?
B6 C1 C2 B7 -107.1(3) . . . . ?
B6 C1 C2 B11 -40.1(3) . . . . ?
B6 C1 C2 C21 108.7(3) . . . . ?
B6 C1 B3 C2 31.8(3) . . . . ?
B6 C1 B3 B4 -107.6(4) . . . . ?
B6 C1 B3 B7 -5.1(4) . . . . ?
B6 C1 B3 B8 -67.0(4) . . . . ?
B6 C1 B4 B3 107.4(3) . . . . ?
B6 C1 B4 B5 -36.0(3) . . . . ?
B6 C1 B4 B8 67.7(4) . . . . ?
B6 C1 B4 B9 4.8(4) . . . . ?
B6 C1 B5 B4 143.8(3) . . . . ?
B6 C1 B5 B9 102.9(3) . . . . ?
B6 C1 B5 B10 40.0(3) . . . . ?
B6 C2 B3 C1 -30.8(3) . . . . ?
B6 C2 B3 B4 3.8(4) . . . . ?
B6 C2 B3 B7 105.7(3) . . . . ?
B6 C2 B3 B8 66.2(4) . . . . ?
B6 C2 B7 B3 -105.6(3) . . . . ?
B6 C2 B7 B8 -66.5(4) . . . . ?
B6 C2 B7 B11 36.7(3) . . . . ?
B6 C2 B7 B12 -3.4(4) . . . . ?
B6 C2 B11 B7 -141.9(3) . . . . ?
B6 C2 B11 B10 -39.6(3) . . . . ?
B6 C2 B11 B12 -102.1(3) . . . . ?
B6 C2 C21 O22 -11.8(5) . . . . ?
B6 B5 B9 B4 101.6(4) . . . . ?
B6 B5 B9 B8 64.0(4) . . . . ?
B6 B5 B9 B10 -36.5(3) . . . . ?
B6 B5 B9 B12 0.8(4) . . . . ?
B6 B5 B10 B9 138.6(3) . . . . ?
B6 B5 B10 B11 38.8(3) . . . . ?
B6 B5 B10 B12 101.6(3) . . . . ?
B6 B10 B11 C2 40.2(3) . . . . ?
B6 B10 B11 B7 101.6(3) . . . . ?
B6 B10 B11 B12 138.6(3) . . . . ?
B6 B10 B12 B7 0.3(4) . . . . ?
B6 B10 B12 B8 63.9(4) . . . . ?
B6 B10 B12 B9 101.9(4) . . . . ?
B6 B10 B12 B11 -37.2(3) . . . . ?
B6 B11 B12 B7 -102.0(3) . . . . ?
B6 B11 B12 B8 -64.8(4) . . . . ?
B6 B11 B12 B9 -0.5(4) . . . . ?
B6 B11 B12 B10 36.4(3) . . . . ?
B7 C2 B3 C1 -136.5(3) . . . . ?
B7 C2 B3 B4 -101.8(3) . . . . ?
B7 C2 B3 B8 -39.5(3) . . . . ?
B7 C2 B6 C1 100.0(3) . . . . ?
B7 C2 B6 B5 65.2(4) . . . . ?
B7 C2 B6 B10 3.6(4) . . . . ?
B7 C2 B6 B11 -36.9(3) . . . . ?
B7 C2 B11 B6 141.9(3) . . . . ?
B7 C2 B11 B10 102.3(3) . . . . ?
B7 C2 B11 B12 39.8(3) . . . . ?
B7 C2 C21 O22 137.5(3) . . . . ?
B7 B3 B4 C1 -95.1(3) . . . . ?
B7 B3 B4 B5 -62.6(4) . . . . ?
B7 B3 B4 B8 38.2(3) . . . . ?
B7 B3 B4 B9 0.7(4) . . . . ?
B7 B3 B8 B4 -137.2(3) . . . . ?
B7 B3 B8 B9 -100.3(3) . . . . ?
B7 B3 B8 B12 -37.2(3) . . . . ?
B7 B8 B9 B4 -102.2(3) . . . . ?
B7 B8 B9 B5 -64.5(4) . . . . ?
B7 B8 B9 B10 -1.6(4) . . . . ?
B7 B8 B9 B12 36.1(3) . . . . ?
B7 B8 B12 B9 -139.2(3) . . . . ?
B7 B8 B12 B10 -101.3(3) . . . . ?
B7 B8 B12 B11 -37.3(3) . . . . ?
B7 B11 B12 B8 37.2(3) . . . . ?
B7 B11 B12 B9 101.5(4) . . . . ?
B7 B11 B12 B10 138.4(3) . . . . ?
B8 B3 B4 C1 -133.2(3) . . . . ?
B8 B3 B4 B5 -100.7(4) . . . . ?
B8 B3 B4 B9 -37.4(3) . . . . ?
B8 B3 B7 C2 134.7(3) . . . . ?
B8 B3 B7 B11 101.4(4) . . . . ?
B8 B3 B7 B12 37.8(3) . . . . ?
B8 B4 B5 C1 -94.6(3) . . . . ?
B8 B4 B5 B6 -62.4(4) . . . . ?
B8 B4 B5 B9 38.2(3) . . . . ?
B8 B4 B5 B10 0.2(4) . . . . ?
B8 B4 B9 B5 -137.8(3) . . . . ?
B8 B4 B9 B10 -100.6(3) . . . . ?
B8 B4 B9 B12 -37.2(3) . . . . ?
B8 B7 B11 C2 96.4(3) . . . . ?
B8 B7 B11 B6 62.0(4) . . . . ?
B8 B7 B11 B10 -0.3(4) . . . . ?
B8 B7 B11 B12 -37.7(3) . . . . ?
B8 B7 B12 B9 37.0(3) . . . . ?
B8 B7 B12 B10 101.0(3) . . . . ?
B8 B7 B12 B11 138.5(3) . . . . ?
B8 B9 B10 B5 -100.7(4) . . . . ?
B8 B9 B10 B6 -62.7(4) . . . . ?
B8 B9 B10 B11 1.4(4) . . . . ?
B8 B9 B10 B12 37.6(3) . . . . ?
B8 B9 B12 B7 -36.7(3) . . . . ?
B8 B9 B12 B10 -137.8(3) . . . . ?
B8 B9 B12 B11 -100.9(4) . . . . ?
B9 B4 B5 C1 -132.8(3) . . . . ?
B9 B4 B5 B6 -100.6(3) . . . . ?
B9 B4 B5 B10 -38.0(3) . . . . ?
B9 B4 B8 B3 138.5(3) . . . . ?
B9 B4 B8 B7 99.6(4) . . . . ?
B9 B4 B8 B12 36.8(3) . . . . ?
B9 B5 B6 C1 -95.8(3) . . . . ?
B9 B5 B6 C2 -61.2(4) . . . . ?
B9 B5 B6 B10 37.4(3) . . . . ?
B9 B5 B6 B11 -1.1(4) . . . . ?
B9 B5 B10 B6 -138.6(3) . . . . ?
B9 B5 B10 B11 -99.9(3) . . . . ?
B9 B5 B10 B12 -37.0(3) . . . . ?
B9 B8 B12 B7 139.2(3) . . . . ?
B9 B8 B12 B10 37.9(3) . . . . ?
B9 B8 B12 B11 101.9(3) . . . . ?
B9 B10 B11 C2 -62.1(4) . . . . ?
B9 B10 B11 B6 -102.3(3) . . . . ?
B9 B10 B11 B7 -0.7(4) . . . . ?
B9 B10 B11 B12 36.4(3) . . . . ?
B9 B10 B12 B7 -101.6(4) . . . . ?
B9 B10 B12 B8 -38.1(3) . . . . ?
B9 B10 B12 B11 -139.2(4) . . . . ?
B10 B5 B6 C1 -133.2(3) . . . . ?
B10 B5 B6 C2 -98.6(3) . . . . ?
B10 B5 B6 B11 -38.5(3) . . . . ?
B10 B5 B9 B4 138.1(3) . . . . ?
B10 B5 B9 B8 100.5(3) . . . . ?
B10 B5 B9 B12 37.3(3) . . . . ?
B10 B6 B11 C2 -133.9(3) . . . . ?
B10 B6 B11 B7 -100.0(3) . . . . ?
B10 B6 B11 B12 -37.0(3) . . . . ?
B10 B9 B12 B7 101.1(3) . . . . ?
B10 B9 B12 B8 137.8(3) . . . . ?
B10 B9 B12 B11 36.9(3) . . . . ?
B10 B11 B12 B7 -138.4(3) . . . . ?
B10 B11 B12 B8 -101.2(3) . . . . ?
B10 B11 B12 B9 -36.9(3) . . . . ?
B11 C2 B3 C1 -99.9(3) . . . . ?
B11 C2 B3 B4 -65.3(4) . . . . ?
B11 C2 B3 B7 36.6(3) . . . . ?
B11 C2 B3 B8 -2.9(4) . . . . ?
B11 C2 B6 C1 136.9(3) . . . . ?
B11 C2 B6 B5 102.1(3) . . . . ?
B11 C2 B6 B10 40.4(3) . . . . ?
B11 C2 B7 B3 -142.3(3) . . . . ?
B11 C2 B7 B8 -103.2(3) . . . . ?
B11 C2 B7 B12 -40.1(3) . . . . ?
B11 C2 C21 O22 62.2(4) . . . . ?
B11 B6 B10 B5 137.1(3) . . . . ?
B11 B6 B10 B9 100.1(3) . . . . ?
B11 B6 B10 B12 36.7(3) . . . . ?
B11 B7 B8 B3 -100.7(3) . . . . ?
B11 B7 B8 B4 -61.5(4) . . . . ?
B11 B7 B8 B9 1.2(4) . . . . ?
B11 B7 B8 B12 37.4(3) . . . . ?
B11 B7 B12 B8 -138.5(3) . . . . ?
B11 B7 B12 B9 -101.5(3) . . . . ?
B11 B7 B12 B10 -37.6(3) . . . . ?
B11 B10 B12 B7 37.5(3) . . . . ?
B11 B10 B12 B8 101.1(4) . . . . ?
B11 B10 B12 B9 139.2(4) . . . . ?
B12 B7 B8 B3 -138.0(3) . . . . ?
B12 B7 B8 B4 -98.9(4) . . . . ?
B12 B7 B8 B9 -36.2(3) . . . . ?
B12 B7 B11 C2 134.1(3) . . . . ?
B12 B7 B11 B6 99.7(3) . . . . ?
B12 B7 B11 B10 37.3(3) . . . . ?
B12 B8 B9 B4 -138.3(3) . . . . ?
B12 B8 B9 B5 -100.6(3) . . . . ?
B12 B8 B9 B10 -37.7(3) . . . . ?
B12 B9 B10 B5 -138.3(3) . . . . ?
B12 B9 B10 B6 -100.3(3) . . . . ?
B12 B9 B10 B11 -36.2(3) . . . . ?
B12 B10 B11 C2 -98.5(3) . . . . ?
B12 B10 B11 B6 -138.6(3) . . . . ?
B12 B10 B11 B7 -37.0(3) . . . . ?
C21 C2 B3 C1 110.5(3) . . . . ?
C21 C2 B3 B4 145.1(3) . . . . ?
C21 C2 B3 B7 -113.0(4) . . . . ?
C21 C2 B3 B8 -152.5(3) . . . . ?
C21 C2 B6 C1 -108.8(4) . . . . ?
C21 C2 B6 B5 -143.6(3) . . . . ?
C21 C2 B6 B10 154.7(3) . . . . ?
C21 C2 B6 B11 114.3(4) . . . . ?
C21 C2 B7 B3 103.8(4) . . . . ?
C21 C2 B7 B8 142.9(3) . . . . ?
C21 C2 B7 B11 -113.9(4) . . . . ?
C21 C2 B7 B12 -154.0(3) . . . . ?
C21 C2 B11 B6 -107.8(4) . . . . ?
C21 C2 B11 B7 110.3(4) . . . . ?
C21 C2 B11 B10 -147.4(3) . . . . ?
C21 C2 B11 B12 150.1(3) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'

loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 1(10)
2 0(10)

####################################################################### 
# 
# 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_4899
_database_code_depnum_ccdc_archive 'CCDC 1440361'
_audit_update_record             
;
2015-12-03 deposited with the CCDC.
2016-01-12 downloaded from the CCDC.
;
_audit_creation_date             2015-10-01
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C8 H25 B10 N O Si'
_chemical_formula_sum            'C8 H25 B10 N O Si'
_chemical_formula_weight         287.48
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   7.0341(7)
_cell_length_b                   19.1795(18)
_cell_length_c                   12.5279(11)
_cell_angle_alpha                90
_cell_angle_beta                 98.544(4)
_cell_angle_gamma                90
_cell_volume                     1671.4(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9885
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      32.962
_cell_measurement_theta_min      2.686
_shelx_estimated_absorpt_T_max   0.958
_shelx_estimated_absorpt_T_min   0.929
_exptl_absorpt_coefficient_mu    0.128
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_correction_T_min  0.7110
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2008/1 (Bruker,2008) was used for absorption correction. wR2(int) was 0.0587 before and 0.0496 after correction. The Ratio of minimum to maximum transmission is 0.9524. The λ/2 correction factor is 0.0015.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.142
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             608
_exptl_crystal_size_max          0.58
_exptl_crystal_size_mid          0.56
_exptl_crystal_size_min          0.34
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0411
_diffrn_reflns_av_unetI/netI     0.0287
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            44494
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         33.215
_diffrn_reflns_theta_min         2.686
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5279
_reflns_number_total             6302
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         0.524
_refine_diff_density_min         -0.275
_refine_diff_density_rms         0.052
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     225
_refine_ls_number_reflns         6302
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0440
_refine_ls_R_factor_gt           0.0341
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0449P)²+0.3655P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0878
_refine_ls_wR_factor_ref         0.0933
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C24(H24A,H24B,H24C), C25(H25A,H25B,
 H25C), C26(H26A,H26B,H26C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
Si1 Si 0.36261(3) 0.08152(2) 0.23110(2) 0.01111(6) Uani 1 1 d . . . . .
O1 O 0.63706(13) 0.14291(4) -0.05860(6) 0.03318(19) Uani 1 1 d . . . . .
N1 N 0.56029(11) 0.13027(4) 0.01613(6) 0.01708(14) Uani 1 1 d . . . . .
C1 C 0.52305(11) 0.19454(4) 0.08013(6) 0.01209(13) Uani 1 1 d . . . . .
C2 C 0.42681(11) 0.17619(4) 0.19003(6) 0.01073(13) Uani 1 1 d . . . . .
C21 C 0.21924(13) 0.09576(5) 0.34349(7) 0.01889(16) Uani 1 1 d . . . . .
H21A H 0.2950 0.1232 0.4007 0.028 Uiso 1 1 calc GR . . . .
H21B H 0.1868 0.0506 0.3727 0.028 Uiso 1 1 calc GR . . . .
H21C H 0.1008 0.1209 0.3160 0.028 Uiso 1 1 calc GR . . . .
C22 C 0.20918(13) 0.03974(5) 0.11420(7) 0.01990(17) Uani 1 1 d . . . . .
H22A H 0.0975 0.0694 0.0904 0.030 Uiso 1 1 calc GR . . . .
H22B H 0.1655 -0.0059 0.1360 0.030 Uiso 1 1 calc GR . . . .
H22C H 0.2840 0.0338 0.0548 0.030 Uiso 1 1 calc GR . . . .
C23 C 0.57679(11) 0.02420(4) 0.28218(6) 0.01269(14) Uani 1 1 d . . . . .
C24 C 0.70911(13) 0.00828(5) 0.19772(7) 0.01836(16) Uani 1 1 d . . . . .
H24A H 0.6321 -0.0097 0.1318 0.028 Uiso 1 1 calc GR . . . .
H24B H 0.8047 -0.0267 0.2266 0.028 Uiso 1 1 calc GR . . . .
H24C H 0.7748 0.0511 0.1810 0.028 Uiso 1 1 calc GR . . . .
C25 C 0.48954(13) -0.04582(4) 0.31194(7) 0.01772(16) Uani 1 1 d . . . . .
H25A H 0.3990 -0.0374 0.3629 0.027 Uiso 1 1 calc GR . . . .
H25B H 0.5925 -0.0767 0.3453 0.027 Uiso 1 1 calc GR . . . .
H25C H 0.4217 -0.0678 0.2465 0.027 Uiso 1 1 calc GR . . . .
C26 C 0.69451(12) 0.05368(5) 0.38557(7) 0.01724(16) Uani 1 1 d . . . . .
H26A H 0.7507 0.0985 0.3695 0.026 Uiso 1 1 calc GR . . . .
H26B H 0.7974 0.0209 0.4126 0.026 Uiso 1 1 calc GR . . . .
H26C H 0.6104 0.0604 0.4405 0.026 Uiso 1 1 calc GR . . . .
B3 B 0.66565(13) 0.20296(5) 0.20202(7) 0.01311(15) Uani 1 1 d . . . . .
H3 H 0.7751(16) 0.1655(6) 0.2236(9) 0.016 Uiso 1 1 d R . . . .
B4 B 0.67603(13) 0.26394(5) 0.09423(7) 0.01468(16) Uani 1 1 d . . . . .
H4 H 0.7979(16) 0.2618(6) 0.0540(9) 0.018 Uiso 1 1 d R . . . .
B5 B 0.44246(13) 0.27019(5) 0.01812(7) 0.01404(16) Uani 1 1 d . . . . .
H5 H 0.4293(17) 0.2718(6) -0.0683(9) 0.017 Uiso 1 1 d R . . . .
B6 B 0.28532(13) 0.21301(5) 0.07809(7) 0.01319(15) Uani 1 1 d . . . . .
H6 H 0.1832(16) 0.1822(6) 0.0294(9) 0.016 Uiso 1 1 d R . . . .
B7 B 0.50709(13) 0.23679(5) 0.28718(7) 0.01347(15) Uani 1 1 d . . . . .
H7 H 0.5245(16) 0.2199(6) 0.3687(9) 0.016 Uiso 1 1 d R . . . .
B8 B 0.66436(14) 0.29344(5) 0.22788(7) 0.01497(16) Uani 1 1 d . . . . .
H8 H 0.7886(16) 0.3166(6) 0.2783(9) 0.018 Uiso 1 1 d R . . . .
B9 B 0.52502(14) 0.33534(5) 0.11413(8) 0.01543(16) Uani 1 1 d . . . . .
H9 H 0.5613(17) 0.3890(6) 0.0911(9) 0.019 Uiso 1 1 d R . . . .
B10 B 0.28377(13) 0.30361(5) 0.10337(7) 0.01497(16) Uani 1 1 d . . . . .
H10 H 0.1586(16) 0.3346(6) 0.0738(9) 0.018 Uiso 1 1 d R . . . .
B11 B 0.27435(13) 0.24360(5) 0.21115(7) 0.01372(16) Uani 1 1 d . . . . .
H11 H 0.1497(16) 0.2312(6) 0.2495(9) 0.016 Uiso 1 1 d R . . . .
B12 B 0.42188(14) 0.31882(5) 0.23347(7) 0.01532(16) Uani 1 1 d . . . . .
H12 H 0.3879(17) 0.3596(6) 0.2880(9) 0.018 Uiso 1 1 d R . . . .


_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
Si1 C2 1.9582(8) . ?
Si1 C21 1.8697(9) . ?
Si1 C22 1.8661(9) . ?
Si1 C23 1.8978(8) . ?
O1 N1 1.1736(10) . ?
N1 C1 1.5143(11) . ?
C1 C2 1.6597(11) . ?
C1 B3 1.7056(12) . ?
C1 B4 1.7042(12) . ?
C1 B5 1.7027(12) . ?
C1 B6 1.7058(12) . ?
C2 B3 1.7417(12) . ?
C2 B6 1.7438(11) . ?
C2 B7 1.7166(12) . ?
C2 B11 1.7250(12) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.5400(11) . ?
C23 C25 1.5449(11) . ?
C23 C26 1.5377(12) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
B3 H3 1.058(11) . ?
B3 B4 1.7961(13) . ?
B3 B7 1.7767(13) . ?
B3 B8 1.7656(13) . ?
B4 H4 1.058(11) . ?
B4 B5 1.7769(13) . ?
B4 B8 1.7808(13) . ?
B4 B9 1.7733(14) . ?
B5 H5 1.073(11) . ?
B5 B6 1.7988(13) . ?
B5 B9 1.7714(13) . ?
B5 B10 1.7753(14) . ?
B6 H6 1.052(11) . ?
B6 B10 1.7666(13) . ?
B6 B11 1.7796(13) . ?
B7 H7 1.061(11) . ?
B7 B8 1.7889(13) . ?
B7 B11 1.7723(13) . ?
B7 B12 1.7797(13) . ?
B8 H8 1.094(11) . ?
B8 B9 1.7950(13) . ?
B8 B12 1.7851(14) . ?
B9 H9 1.109(12) . ?
B9 B10 1.7890(14) . ?
B9 B12 1.7845(14) . ?
B10 H10 1.081(11) . ?
B10 B11 1.7829(13) . ?
B10 B12 1.7931(13) . ?
B11 H11 1.087(11) . ?
B11 B12 1.7749(13) . ?
B12 H12 1.089(12) . ?

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
C21 Si1 C2 103.52(4) . . ?
C21 Si1 C23 108.70(4) . . ?
C22 Si1 C2 108.72(4) . . ?
C22 Si1 C21 109.87(4) . . ?
C22 Si1 C23 110.69(4) . . ?
C23 Si1 C2 115.04(3) . . ?
O1 N1 C1 112.98(7) . . ?
N1 C1 C2 112.99(6) . . ?
N1 C1 B3 115.22(6) . . ?
N1 C1 B4 122.30(7) . . ?
N1 C1 B5 121.61(6) . . ?
N1 C1 B6 114.04(6) . . ?
C2 C1 B3 62.32(5) . . ?
C2 C1 B4 114.12(6) . . ?
C2 C1 B5 114.20(6) . . ?
C2 C1 B6 62.40(5) . . ?
B3 C1 B6 116.01(6) . . ?
B4 C1 B3 63.57(5) . . ?
B4 C1 B6 116.22(6) . . ?
B5 C1 B3 116.07(6) . . ?
B5 C1 B4 62.87(5) . . ?
B5 C1 B6 63.70(5) . . ?
C1 C2 Si1 123.57(5) . . ?
C1 C2 B3 60.13(5) . . ?
C1 C2 B6 60.10(5) . . ?
C1 C2 B7 108.23(6) . . ?
C1 C2 B11 107.93(6) . . ?
B3 C2 Si1 120.52(5) . . ?
B3 C2 B6 112.21(6) . . ?
B6 C2 Si1 117.42(5) . . ?
B7 C2 Si1 120.39(5) . . ?
B7 C2 B3 61.82(5) . . ?
B7 C2 B6 112.60(6) . . ?
B7 C2 B11 61.99(5) . . ?
B11 C2 Si1 118.80(5) . . ?
B11 C2 B3 112.30(6) . . ?
B11 C2 B6 61.73(5) . . ?
Si1 C21 H21A 109.5 . . ?
Si1 C21 H21B 109.5 . . ?
Si1 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si1 C22 H22A 109.5 . . ?
Si1 C22 H22B 109.5 . . ?
Si1 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 Si1 114.44(6) . . ?
C24 C23 C25 107.21(7) . . ?
C25 C23 Si1 105.13(5) . . ?
C26 C23 Si1 111.84(6) . . ?
C26 C23 C24 110.29(7) . . ?
C26 C23 C25 107.45(7) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C1 B3 C2 57.55(5) . . ?
C1 B3 H3 118.2(6) . . ?
C1 B3 B4 58.18(5) . . ?
C1 B3 B7 103.54(6) . . ?
C1 B3 B8 103.83(6) . . ?
C2 B3 H3 118.6(6) . . ?
C2 B3 B4 105.87(6) . . ?
C2 B3 B7 58.40(5) . . ?
C2 B3 B8 105.92(6) . . ?
B4 B3 H3 121.6(6) . . ?
B7 B3 H3 126.3(6) . . ?
B7 B3 B4 108.24(6) . . ?
B8 B3 H3 130.0(6) . . ?
B8 B3 B4 59.99(5) . . ?
B8 B3 B7 60.67(5) . . ?
C1 B4 B3 58.25(5) . . ?
C1 B4 H4 117.7(6) . . ?
C1 B4 B5 58.52(5) . . ?
C1 B4 B8 103.24(6) . . ?
C1 B4 B9 103.63(6) . . ?
B3 B4 H4 117.4(6) . . ?
B5 B4 B3 108.05(6) . . ?
B5 B4 H4 119.8(6) . . ?
B5 B4 B8 108.36(7) . . ?
B8 B4 B3 59.15(5) . . ?
B8 B4 H4 127.9(6) . . ?
B9 B4 B3 107.76(7) . . ?
B9 B4 H4 129.9(6) . . ?
B9 B4 B5 59.86(5) . . ?
B9 B4 B8 60.67(5) . . ?
C1 B5 B4 58.60(5) . . ?
C1 B5 H5 117.3(6) . . ?
C1 B5 B6 58.23(5) . . ?
C1 B5 B9 103.77(6) . . ?
C1 B5 B10 103.28(6) . . ?
B4 B5 H5 118.5(6) . . ?
B4 B5 B6 108.14(6) . . ?
B6 B5 H5 118.2(6) . . ?
B9 B5 B4 59.97(5) . . ?
B9 B5 H5 129.4(6) . . ?
B9 B5 B6 107.84(6) . . ?
B9 B5 B10 60.58(5) . . ?
B10 B5 B4 108.39(6) . . ?
B10 B5 H5 128.9(6) . . ?
B10 B5 B6 59.24(5) . . ?
C1 B6 C2 57.50(4) . . ?
C1 B6 B5 58.06(5) . . ?
C1 B6 H6 118.4(6) . . ?
C1 B6 B10 103.52(6) . . ?
C1 B6 B11 103.49(6) . . ?
C2 B6 B5 105.67(6) . . ?
C2 B6 H6 119.9(6) . . ?
C2 B6 B10 105.79(6) . . ?
C2 B6 B11 58.61(5) . . ?
B5 B6 H6 120.6(6) . . ?
B10 B6 B5 59.72(5) . . ?
B10 B6 H6 129.4(6) . . ?
B10 B6 B11 60.37(5) . . ?
B11 B6 B5 107.76(6) . . ?
B11 B6 H6 127.4(6) . . ?
C2 B7 B3 59.78(5) . . ?
C2 B7 H7 117.1(6) . . ?
C2 B7 B8 105.98(6) . . ?
C2 B7 B11 59.24(5) . . ?
C2 B7 B12 105.88(6) . . ?
B3 B7 H7 118.3(6) . . ?
B3 B7 B8 59.36(5) . . ?
B3 B7 B12 107.58(6) . . ?
B8 B7 H7 126.5(6) . . ?
B11 B7 B3 108.44(6) . . ?
B11 B7 H7 120.3(6) . . ?
B11 B7 B8 108.11(6) . . ?
B11 B7 B12 59.96(5) . . ?
B12 B7 H7 128.2(6) . . ?
B12 B7 B8 60.03(5) . . ?
B3 B8 B4 60.85(5) . . ?
B3 B8 B7 59.97(5) . . ?
B3 B8 H8 118.7(6) . . ?
B3 B8 B9 108.15(6) . . ?
B3 B8 B12 107.83(6) . . ?
B4 B8 B7 108.37(6) . . ?
B4 B8 H8 121.9(6) . . ?
B4 B8 B9 59.46(5) . . ?
B4 B8 B12 107.54(6) . . ?
B7 B8 H8 119.8(6) . . ?
B7 B8 B9 107.65(6) . . ?
B9 B8 H8 124.9(6) . . ?
B12 B8 B7 59.73(5) . . ?
B12 B8 H8 123.5(6) . . ?
B12 B8 B9 59.79(5) . . ?
B4 B9 B8 59.87(5) . . ?
B4 B9 H9 121.0(6) . . ?
B4 B9 B10 107.94(6) . . ?
B4 B9 B12 107.89(6) . . ?
B5 B9 B4 60.17(5) . . ?
B5 B9 B8 107.97(6) . . ?
B5 B9 H9 122.9(6) . . ?
B5 B9 B10 59.81(5) . . ?
B5 B9 B12 108.09(6) . . ?
B8 B9 H9 120.1(6) . . ?
B10 B9 B8 107.91(6) . . ?
B10 B9 H9 123.3(6) . . ?
B12 B9 B8 59.83(5) . . ?
B12 B9 H9 121.4(6) . . ?
B12 B9 B10 60.23(5) . . ?
B5 B10 B9 59.60(5) . . ?
B5 B10 H10 123.0(6) . . ?
B5 B10 B11 108.66(6) . . ?
B5 B10 B12 107.54(6) . . ?
B6 B10 B5 61.04(5) . . ?
B6 B10 B9 108.49(6) . . ?
B6 B10 H10 120.4(6) . . ?
B6 B10 B11 60.18(5) . . ?
B6 B10 B12 107.82(6) . . ?
B9 B10 H10 123.6(6) . . ?
B9 B10 B12 59.76(5) . . ?
B11 B10 B9 107.70(6) . . ?
B11 B10 H10 119.7(6) . . ?
B11 B10 B12 59.52(5) . . ?
B12 B10 H10 121.7(6) . . ?
C2 B11 B6 59.66(5) . . ?
C2 B11 B7 58.77(5) . . ?
C2 B11 B10 105.89(6) . . ?
C2 B11 H11 117.7(6) . . ?
C2 B11 B12 105.73(6) . . ?
B6 B11 B10 59.46(5) . . ?
B6 B11 H11 119.5(6) . . ?
B7 B11 B6 108.30(6) . . ?
B7 B11 B10 108.62(6) . . ?
B7 B11 H11 119.2(6) . . ?
B7 B11 B12 60.23(5) . . ?
B10 B11 H11 126.8(6) . . ?
B12 B11 B6 108.05(6) . . ?
B12 B11 B10 60.53(5) . . ?
B12 B11 H11 126.8(6) . . ?
B7 B12 B8 60.24(5) . . ?
B7 B12 B9 108.52(7) . . ?
B7 B12 B10 107.84(6) . . ?
B7 B12 H12 119.4(6) . . ?
B8 B12 B10 108.17(6) . . ?
B8 B12 H12 121.4(6) . . ?
B9 B12 B8 60.38(5) . . ?
B9 B12 B10 60.01(5) . . ?
B9 B12 H12 123.5(6) . . ?
B10 B12 H12 123.2(6) . . ?
B11 B12 B7 59.81(5) . . ?
B11 B12 B8 108.17(6) . . ?
B11 B12 B9 108.26(6) . . ?
B11 B12 B10 59.96(5) . . ?
B11 B12 H12 120.4(6) . . ?

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
Si1 C2 B3 C1 113.68(6) . . . . ?
Si1 C2 B3 B4 147.54(5) . . . . ?
Si1 C2 B3 B7 -110.51(6) . . . . ?
Si1 C2 B3 B8 -149.82(5) . . . . ?
Si1 C2 B6 C1 -114.85(6) . . . . ?
Si1 C2 B6 B5 -148.76(5) . . . . ?
Si1 C2 B6 B10 148.95(5) . . . . ?
Si1 C2 B6 B11 109.71(6) . . . . ?
Si1 C2 B7 B3 110.71(6) . . . . ?
Si1 C2 B7 B8 149.42(5) . . . . ?
Si1 C2 B7 B11 -108.70(6) . . . . ?
Si1 C2 B7 B12 -147.89(5) . . . . ?
Si1 C2 B11 B6 -107.52(6) . . . . ?
Si1 C2 B11 B7 111.19(6) . . . . ?
Si1 C2 B11 B10 -146.36(5) . . . . ?
Si1 C2 B11 B12 150.47(5) . . . . ?
O1 N1 C1 C2 -176.44(7) . . . . ?
O1 N1 C1 B3 -107.41(9) . . . . ?
O1 N1 C1 B4 -33.92(11) . . . . ?
O1 N1 C1 B5 41.94(11) . . . . ?
O1 N1 C1 B6 114.78(9) . . . . ?
N1 C1 C2 Si1 -1.29(9) . . . . ?
N1 C1 C2 B3 107.47(7) . . . . ?
N1 C1 C2 B6 -106.11(7) . . . . ?
N1 C1 C2 B7 147.78(6) . . . . ?
N1 C1 C2 B11 -146.62(6) . . . . ?
N1 C1 B3 C2 -103.91(7) . . . . ?
N1 C1 B3 B4 115.18(7) . . . . ?
N1 C1 B3 B7 -141.55(6) . . . . ?
N1 C1 B3 B8 155.81(7) . . . . ?
N1 C1 B4 B3 -104.41(8) . . . . ?
N1 C1 B4 B5 111.89(8) . . . . ?
N1 C1 B4 B8 -144.50(7) . . . . ?
N1 C1 B4 B9 152.94(7) . . . . ?
N1 C1 B5 B4 -112.94(8) . . . . ?
N1 C1 B5 B6 103.27(8) . . . . ?
N1 C1 B5 B9 -154.07(7) . . . . ?
N1 C1 B5 B10 143.43(7) . . . . ?
N1 C1 B6 C2 104.44(7) . . . . ?
N1 C1 B6 B5 -114.82(7) . . . . ?
N1 C1 B6 B10 -155.27(6) . . . . ?
N1 C1 B6 B11 142.47(6) . . . . ?
C1 C2 B3 B4 33.86(6) . . . . ?
C1 C2 B3 B7 135.81(6) . . . . ?
C1 C2 B3 B8 96.50(6) . . . . ?
C1 C2 B6 B5 -33.90(6) . . . . ?
C1 C2 B6 B10 -96.19(6) . . . . ?
C1 C2 B6 B11 -135.44(6) . . . . ?
C1 C2 B7 B3 -39.53(6) . . . . ?
C1 C2 B7 B8 -0.82(8) . . . . ?
C1 C2 B7 B11 101.07(6) . . . . ?
C1 C2 B7 B12 61.88(7) . . . . ?
C1 C2 B11 B6 39.74(6) . . . . ?
C1 C2 B11 B7 -101.56(6) . . . . ?
C1 C2 B11 B10 0.90(8) . . . . ?
C1 C2 B11 B12 -62.28(7) . . . . ?
C1 B3 B4 B5 32.07(6) . . . . ?
C1 B3 B4 B8 133.10(7) . . . . ?
C1 B3 B4 B9 95.32(7) . . . . ?
C1 B3 B7 C2 37.23(5) . . . . ?
C1 B3 B7 B8 -98.44(6) . . . . ?
C1 B3 B7 B11 2.13(8) . . . . ?
C1 B3 B7 B12 -61.26(7) . . . . ?
C1 B3 B8 B4 -39.71(6) . . . . ?
C1 B3 B8 B7 97.94(6) . . . . ?
C1 B3 B8 B9 -2.37(8) . . . . ?
C1 B3 B8 B12 60.84(7) . . . . ?
C1 B4 B5 B6 31.90(6) . . . . ?
C1 B4 B5 B9 132.44(7) . . . . ?
C1 B4 B5 B10 94.63(7) . . . . ?
C1 B4 B8 B3 39.63(6) . . . . ?
C1 B4 B8 B7 1.72(8) . . . . ?
C1 B4 B8 B9 -98.36(7) . . . . ?
C1 B4 B8 B12 -61.40(8) . . . . ?
C1 B4 B9 B5 -40.36(6) . . . . ?
C1 B4 B9 B8 97.71(6) . . . . ?
C1 B4 B9 B10 -3.00(8) . . . . ?
C1 B4 B9 B12 60.65(8) . . . . ?
C1 B5 B6 C2 33.67(5) . . . . ?
C1 B5 B6 B10 133.08(6) . . . . ?
C1 B5 B6 B11 95.10(6) . . . . ?
C1 B5 B9 B4 40.43(6) . . . . ?
C1 B5 B9 B8 3.02(8) . . . . ?
C1 B5 B9 B10 -97.66(7) . . . . ?
C1 B5 B9 B12 -60.25(8) . . . . ?
C1 B5 B10 B6 -39.65(6) . . . . ?
C1 B5 B10 B9 98.49(6) . . . . ?
C1 B5 B10 B11 -1.53(8) . . . . ?
C1 B5 B10 B12 61.42(8) . . . . ?
C1 B6 B10 B5 39.61(6) . . . . ?
C1 B6 B10 B9 2.24(8) . . . . ?
C1 B6 B10 B11 -98.00(6) . . . . ?
C1 B6 B10 B12 -60.99(8) . . . . ?
C1 B6 B11 C2 -37.49(5) . . . . ?
C1 B6 B11 B7 -3.21(8) . . . . ?
C1 B6 B11 B10 98.05(6) . . . . ?
C1 B6 B11 B12 60.54(8) . . . . ?
C2 Si1 C23 C24 -64.24(7) . . . . ?
C2 Si1 C23 C25 178.40(5) . . . . ?
C2 Si1 C23 C26 62.10(6) . . . . ?
C2 C1 B3 B4 -140.90(6) . . . . ?
C2 C1 B3 B7 -37.64(5) . . . . ?
C2 C1 B3 B8 -100.27(6) . . . . ?
C2 C1 B4 B3 37.73(6) . . . . ?
C2 C1 B4 B5 -105.98(7) . . . . ?
C2 C1 B4 B8 -2.36(8) . . . . ?
C2 C1 B4 B9 -64.93(8) . . . . ?
C2 C1 B5 B4 105.85(7) . . . . ?
C2 C1 B5 B6 -37.94(6) . . . . ?
C2 C1 B5 B9 64.72(8) . . . . ?
C2 C1 B5 B10 2.22(8) . . . . ?
C2 C1 B6 B5 140.74(6) . . . . ?
C2 C1 B6 B10 100.29(6) . . . . ?
C2 C1 B6 B11 38.02(5) . . . . ?
C2 B3 B4 C1 -33.59(6) . . . . ?
C2 B3 B4 B5 -1.52(8) . . . . ?
C2 B3 B4 B8 99.51(7) . . . . ?
C2 B3 B4 B9 61.73(8) . . . . ?
C2 B3 B7 B8 -135.67(6) . . . . ?
C2 B3 B7 B11 -35.10(6) . . . . ?
C2 B3 B7 B12 -98.49(6) . . . . ?
C2 B3 B8 B4 -99.42(6) . . . . ?
C2 B3 B8 B7 38.24(5) . . . . ?
C2 B3 B8 B9 -62.08(8) . . . . ?
C2 B3 B8 B12 1.13(8) . . . . ?
C2 B6 B10 B5 99.20(6) . . . . ?
C2 B6 B10 B9 61.83(8) . . . . ?
C2 B6 B10 B11 -38.42(6) . . . . ?
C2 B6 B10 B12 -1.40(8) . . . . ?
C2 B6 B11 B7 34.28(6) . . . . ?
C2 B6 B11 B10 135.54(6) . . . . ?
C2 B6 B11 B12 98.02(7) . . . . ?
C2 B7 B8 B3 -38.91(6) . . . . ?
C2 B7 B8 B4 -0.60(8) . . . . ?
C2 B7 B8 B9 62.25(8) . . . . ?
C2 B7 B8 B12 99.40(7) . . . . ?
C2 B7 B11 B6 -34.64(6) . . . . ?
C2 B7 B11 B10 -97.68(7) . . . . ?
C2 B7 B11 B12 -135.40(6) . . . . ?
C2 B7 B12 B8 -99.58(7) . . . . ?
C2 B7 B12 B9 -61.95(8) . . . . ?
C2 B7 B12 B10 1.56(8) . . . . ?
C2 B7 B12 B11 38.85(6) . . . . ?
C2 B11 B12 B7 -38.59(6) . . . . ?
C2 B11 B12 B8 -1.27(8) . . . . ?
C2 B11 B12 B9 62.66(8) . . . . ?
C2 B11 B12 B10 99.64(7) . . . . ?
C21 Si1 C23 C24 -179.75(6) . . . . ?
C21 Si1 C23 C25 62.89(6) . . . . ?
C21 Si1 C23 C26 -53.41(7) . . . . ?
C22 Si1 C23 C24 59.49(7) . . . . ?
C22 Si1 C23 C25 -57.87(6) . . . . ?
C22 Si1 C23 C26 -174.17(6) . . . . ?
B3 C1 C2 Si1 -108.76(6) . . . . ?
B3 C1 C2 B6 146.42(6) . . . . ?
B3 C1 C2 B7 40.31(6) . . . . ?
B3 C1 C2 B11 105.91(6) . . . . ?
B3 C1 B4 B5 -143.70(7) . . . . ?
B3 C1 B4 B8 -40.09(6) . . . . ?
B3 C1 B4 B9 -102.66(7) . . . . ?
B3 C1 B5 B4 36.16(7) . . . . ?
B3 C1 B5 B6 -107.63(7) . . . . ?
B3 C1 B5 B9 -4.97(9) . . . . ?
B3 C1 B5 B10 -67.47(8) . . . . ?
B3 C1 B6 C2 -33.03(6) . . . . ?
B3 C1 B6 B5 107.71(7) . . . . ?
B3 C1 B6 B10 67.26(8) . . . . ?
B3 C1 B6 B11 4.99(8) . . . . ?
B3 C2 B6 C1 31.21(6) . . . . ?
B3 C2 B6 B5 -2.70(8) . . . . ?
B3 C2 B6 B10 -64.99(8) . . . . ?
B3 C2 B6 B11 -104.24(7) . . . . ?
B3 C2 B7 B8 38.71(6) . . . . ?
B3 C2 B7 B11 140.59(6) . . . . ?
B3 C2 B7 B12 101.40(7) . . . . ?
B3 C2 B11 B6 104.08(7) . . . . ?
B3 C2 B11 B7 -37.22(6) . . . . ?
B3 C2 B11 B10 65.24(8) . . . . ?
B3 C2 B11 B12 2.07(8) . . . . ?
B3 B4 B5 C1 -31.97(6) . . . . ?
B3 B4 B5 B6 -0.07(9) . . . . ?
B3 B4 B5 B9 100.48(7) . . . . ?
B3 B4 B5 B10 62.66(8) . . . . ?
B3 B4 B8 B7 -37.92(6) . . . . ?
B3 B4 B8 B9 -137.99(7) . . . . ?
B3 B4 B8 B12 -101.04(7) . . . . ?
B3 B4 B9 B5 -100.96(7) . . . . ?
B3 B4 B9 B8 37.11(6) . . . . ?
B3 B4 B9 B10 -63.60(8) . . . . ?
B3 B4 B9 B12 0.05(8) . . . . ?
B3 B7 B8 B4 38.31(6) . . . . ?
B3 B7 B8 B9 101.16(7) . . . . ?
B3 B7 B8 B12 138.32(6) . . . . ?
B3 B7 B11 C2 35.33(6) . . . . ?
B3 B7 B11 B6 0.69(8) . . . . ?
B3 B7 B11 B10 -62.35(8) . . . . ?
B3 B7 B11 B12 -100.08(7) . . . . ?
B3 B7 B12 B8 -36.89(6) . . . . ?
B3 B7 B12 B9 0.74(8) . . . . ?
B3 B7 B12 B10 64.26(8) . . . . ?
B3 B7 B12 B11 101.54(7) . . . . ?
B3 B8 B9 B4 -37.96(6) . . . . ?
B3 B8 B9 B5 -0.41(9) . . . . ?
B3 B8 B9 B10 62.80(8) . . . . ?
B3 B8 B9 B12 100.49(7) . . . . ?
B3 B8 B12 B7 37.22(6) . . . . ?
B3 B8 B12 B9 -101.03(7) . . . . ?
B3 B8 B12 B10 -63.38(8) . . . . ?
B3 B8 B12 B11 0.08(8) . . . . ?
B4 C1 C2 Si1 -146.99(6) . . . . ?
B4 C1 C2 B3 -38.23(6) . . . . ?
B4 C1 C2 B6 108.19(7) . . . . ?
B4 C1 C2 B7 2.09(8) . . . . ?
B4 C1 C2 B11 67.69(8) . . . . ?
B4 C1 B3 C2 140.90(6) . . . . ?
B4 C1 B3 B7 103.26(7) . . . . ?
B4 C1 B3 B8 40.63(6) . . . . ?
B4 C1 B5 B6 -143.79(6) . . . . ?
B4 C1 B5 B9 -41.13(6) . . . . ?
B4 C1 B5 B10 -103.63(7) . . . . ?
B4 C1 B6 C2 -104.86(7) . . . . ?
B4 C1 B6 B5 35.88(6) . . . . ?
B4 C1 B6 B10 -4.57(8) . . . . ?
B4 C1 B6 B11 -66.84(8) . . . . ?
B4 B3 B7 C2 97.78(6) . . . . ?
B4 B3 B7 B8 -37.89(6) . . . . ?
B4 B3 B7 B11 62.68(8) . . . . ?
B4 B3 B7 B12 -0.71(8) . . . . ?
B4 B3 B8 B7 137.66(6) . . . . ?
B4 B3 B8 B9 37.34(6) . . . . ?
B4 B3 B8 B12 100.55(7) . . . . ?
B4 B5 B6 C1 -32.04(6) . . . . ?
B4 B5 B6 C2 1.62(8) . . . . ?
B4 B5 B6 B10 101.03(7) . . . . ?
B4 B5 B6 B11 63.06(8) . . . . ?
B4 B5 B9 B8 -37.41(6) . . . . ?
B4 B5 B9 B10 -138.09(7) . . . . ?
B4 B5 B9 B12 -100.68(7) . . . . ?
B4 B5 B10 B6 -100.60(7) . . . . ?
B4 B5 B10 B9 37.54(6) . . . . ?
B4 B5 B10 B11 -62.48(8) . . . . ?
B4 B5 B10 B12 0.47(8) . . . . ?
B4 B8 B9 B5 37.55(6) . . . . ?
B4 B8 B9 B10 100.76(7) . . . . ?
B4 B8 B9 B12 138.45(7) . . . . ?
B4 B8 B12 B7 101.44(7) . . . . ?
B4 B8 B12 B9 -36.81(6) . . . . ?
B4 B8 B12 B10 0.84(8) . . . . ?
B4 B8 B12 B11 64.30(8) . . . . ?
B4 B9 B10 B5 -37.52(6) . . . . ?
B4 B9 B10 B6 0.48(9) . . . . ?
B4 B9 B10 B11 64.14(8) . . . . ?
B4 B9 B10 B12 100.77(7) . . . . ?
B4 B9 B12 B7 -0.49(9) . . . . ?
B4 B9 B12 B8 37.08(6) . . . . ?
B4 B9 B12 B10 -100.85(7) . . . . ?
B4 B9 B12 B11 -63.89(8) . . . . ?
B5 C1 C2 Si1 143.28(6) . . . . ?
B5 C1 C2 B3 -107.95(7) . . . . ?
B5 C1 C2 B6 38.46(6) . . . . ?
B5 C1 C2 B7 -67.64(8) . . . . ?
B5 C1 C2 B11 -2.04(8) . . . . ?
B5 C1 B3 C2 104.99(7) . . . . ?
B5 C1 B3 B4 -35.91(7) . . . . ?
B5 C1 B3 B7 67.35(8) . . . . ?
B5 C1 B3 B8 4.72(9) . . . . ?
B5 C1 B4 B3 143.70(7) . . . . ?
B5 C1 B4 B8 103.61(7) . . . . ?
B5 C1 B4 B9 41.05(6) . . . . ?
B5 C1 B6 C2 -140.74(6) . . . . ?
B5 C1 B6 B10 -40.45(6) . . . . ?
B5 C1 B6 B11 -102.72(7) . . . . ?
B5 B4 B8 B3 100.48(7) . . . . ?
B5 B4 B8 B7 62.57(8) . . . . ?
B5 B4 B8 B9 -37.51(6) . . . . ?
B5 B4 B8 B12 -0.55(8) . . . . ?
B5 B4 B9 B8 138.07(7) . . . . ?
B5 B4 B9 B10 37.36(6) . . . . ?
B5 B4 B9 B12 101.01(7) . . . . ?
B5 B6 B10 B9 -37.37(6) . . . . ?
B5 B6 B10 B11 -137.61(6) . . . . ?
B5 B6 B10 B12 -100.60(7) . . . . ?
B5 B6 B11 C2 -97.86(6) . . . . ?
B5 B6 B11 B7 -63.58(8) . . . . ?
B5 B6 B11 B10 37.68(6) . . . . ?
B5 B6 B11 B12 0.17(8) . . . . ?
B5 B9 B10 B6 38.00(6) . . . . ?
B5 B9 B10 B11 101.66(7) . . . . ?
B5 B9 B10 B12 138.29(7) . . . . ?
B5 B9 B12 B7 63.12(8) . . . . ?
B5 B9 B12 B8 100.69(7) . . . . ?
B5 B9 B12 B10 -37.23(6) . . . . ?
B5 B9 B12 B11 -0.27(9) . . . . ?
B5 B10 B11 C2 0.43(8) . . . . ?
B5 B10 B11 B6 -38.50(6) . . . . ?
B5 B10 B11 B7 62.21(8) . . . . ?
B5 B10 B11 B12 99.81(7) . . . . ?
B5 B10 B12 B7 -64.51(8) . . . . ?
B5 B10 B12 B8 -0.81(8) . . . . ?
B5 B10 B12 B9 37.01(6) . . . . ?
B5 B10 B12 B11 -101.73(7) . . . . ?
B6 C1 C2 Si1 104.82(6) . . . . ?
B6 C1 C2 B3 -146.42(6) . . . . ?
B6 C1 C2 B7 -106.10(6) . . . . ?
B6 C1 C2 B11 -40.50(6) . . . . ?
B6 C1 B3 C2 33.05(6) . . . . ?
B6 C1 B3 B4 -107.85(7) . . . . ?
B6 C1 B3 B7 -4.58(8) . . . . ?
B6 C1 B3 B8 -67.22(8) . . . . ?
B6 C1 B4 B3 107.52(7) . . . . ?
B6 C1 B4 B5 -36.18(6) . . . . ?
B6 C1 B4 B8 67.43(8) . . . . ?
B6 C1 B4 B9 4.87(8) . . . . ?
B6 C1 B5 B4 143.79(6) . . . . ?
B6 C1 B5 B9 102.66(7) . . . . ?
B6 C1 B5 B10 40.16(6) . . . . ?
B6 C2 B3 C1 -31.19(6) . . . . ?
B6 C2 B3 B4 2.66(8) . . . . ?
B6 C2 B3 B7 104.61(7) . . . . ?
B6 C2 B3 B8 65.30(8) . . . . ?
B6 C2 B7 B3 -103.97(7) . . . . ?
B6 C2 B7 B8 -65.26(8) . . . . ?
B6 C2 B7 B11 36.62(6) . . . . ?
B6 C2 B7 B12 -2.57(8) . . . . ?
B6 C2 B11 B7 -141.30(6) . . . . ?
B6 C2 B11 B10 -38.84(6) . . . . ?
B6 C2 B11 B12 -102.01(7) . . . . ?
B6 B5 B9 B4 101.05(7) . . . . ?
B6 B5 B9 B8 63.64(8) . . . . ?
B6 B5 B9 B10 -37.04(6) . . . . ?
B6 B5 B9 B12 0.37(8) . . . . ?
B6 B5 B10 B9 138.14(6) . . . . ?
B6 B5 B10 B11 38.12(6) . . . . ?
B6 B5 B10 B12 101.07(7) . . . . ?
B6 B10 B11 C2 38.94(6) . . . . ?
B6 B10 B11 B7 100.71(7) . . . . ?
B6 B10 B11 B12 138.31(7) . . . . ?
B6 B10 B12 B7 -0.09(9) . . . . ?
B6 B10 B12 B8 63.61(8) . . . . ?
B6 B10 B12 B9 101.43(7) . . . . ?
B6 B10 B12 B11 -37.31(6) . . . . ?
B6 B11 B12 B7 -101.19(7) . . . . ?
B6 B11 B12 B8 -63.86(8) . . . . ?
B6 B11 B12 B9 0.07(8) . . . . ?
B6 B11 B12 B10 37.05(6) . . . . ?
B7 C2 B3 C1 -135.81(6) . . . . ?
B7 C2 B3 B4 -101.95(7) . . . . ?
B7 C2 B3 B8 -39.31(6) . . . . ?
B7 C2 B6 C1 98.71(7) . . . . ?
B7 C2 B6 B5 64.81(8) . . . . ?
B7 C2 B6 B10 2.52(8) . . . . ?
B7 C2 B6 B11 -36.73(6) . . . . ?
B7 C2 B11 B6 141.30(6) . . . . ?
B7 C2 B11 B10 102.45(7) . . . . ?
B7 C2 B11 B12 39.28(6) . . . . ?
B7 B3 B4 C1 -94.91(7) . . . . ?
B7 B3 B4 B5 -62.84(8) . . . . ?
B7 B3 B4 B8 38.19(6) . . . . ?
B7 B3 B4 B9 0.41(8) . . . . ?
B7 B3 B8 B4 -137.66(6) . . . . ?
B7 B3 B8 B9 -100.32(7) . . . . ?
B7 B3 B8 B12 -37.11(6) . . . . ?
B7 B8 B9 B4 -101.32(7) . . . . ?
B7 B8 B9 B5 -63.77(8) . . . . ?
B7 B8 B9 B10 -0.56(9) . . . . ?
B7 B8 B9 B12 37.12(6) . . . . ?
B7 B8 B12 B9 -138.25(7) . . . . ?
B7 B8 B12 B10 -100.59(7) . . . . ?
B7 B8 B12 B11 -37.14(6) . . . . ?
B7 B11 B12 B8 37.32(6) . . . . ?
B7 B11 B12 B9 101.25(7) . . . . ?
B7 B11 B12 B10 138.23(7) . . . . ?
B8 B3 B4 C1 -133.10(7) . . . . ?
B8 B3 B4 B5 -101.03(7) . . . . ?
B8 B3 B4 B9 -37.78(6) . . . . ?
B8 B3 B7 C2 135.67(6) . . . . ?
B8 B3 B7 B11 100.57(7) . . . . ?
B8 B3 B7 B12 37.18(6) . . . . ?
B8 B4 B5 C1 -94.58(7) . . . . ?
B8 B4 B5 B6 -62.68(8) . . . . ?
B8 B4 B5 B9 37.87(6) . . . . ?
B8 B4 B5 B10 0.05(8) . . . . ?
B8 B4 B9 B5 -138.07(7) . . . . ?
B8 B4 B9 B10 -100.71(7) . . . . ?
B8 B4 B9 B12 -37.06(6) . . . . ?
B8 B7 B11 C2 98.19(7) . . . . ?
B8 B7 B11 B6 63.55(8) . . . . ?
B8 B7 B11 B10 0.51(8) . . . . ?
B8 B7 B11 B12 -37.22(6) . . . . ?
B8 B7 B12 B9 37.63(6) . . . . ?
B8 B7 B12 B10 101.14(7) . . . . ?
B8 B7 B12 B11 138.43(7) . . . . ?
B8 B9 B10 B5 -100.78(7) . . . . ?
B8 B9 B10 B6 -62.78(8) . . . . ?
B8 B9 B10 B11 0.88(9) . . . . ?
B8 B9 B10 B12 37.51(6) . . . . ?
B8 B9 B12 B7 -37.57(6) . . . . ?
B8 B9 B12 B10 -137.92(7) . . . . ?
B8 B9 B12 B11 -100.96(7) . . . . ?
B9 B4 B5 C1 -132.44(7) . . . . ?
B9 B4 B5 B6 -100.54(7) . . . . ?
B9 B4 B5 B10 -37.81(6) . . . . ?
B9 B4 B8 B3 137.99(7) . . . . ?
B9 B4 B8 B7 100.08(7) . . . . ?
B9 B4 B8 B12 36.96(6) . . . . ?
B9 B5 B6 C1 -95.44(7) . . . . ?
B9 B5 B6 C2 -61.77(8) . . . . ?
B9 B5 B6 B10 37.64(6) . . . . ?
B9 B5 B6 B11 -0.33(8) . . . . ?
B9 B5 B10 B6 -138.14(6) . . . . ?
B9 B5 B10 B11 -100.02(7) . . . . ?
B9 B5 B10 B12 -37.07(6) . . . . ?
B9 B8 B12 B7 138.25(7) . . . . ?
B9 B8 B12 B10 37.65(6) . . . . ?
B9 B8 B12 B11 101.11(7) . . . . ?
B9 B10 B11 C2 -62.64(8) . . . . ?
B9 B10 B11 B6 -101.58(7) . . . . ?
B9 B10 B11 B7 -0.86(8) . . . . ?
B9 B10 B11 B12 36.74(6) . . . . ?
B9 B10 B12 B7 -101.51(7) . . . . ?
B9 B10 B12 B8 -37.82(6) . . . . ?
B9 B10 B12 B11 -138.73(7) . . . . ?
B10 B5 B6 C1 -133.08(6) . . . . ?
B10 B5 B6 C2 -99.41(6) . . . . ?
B10 B5 B6 B11 -37.97(6) . . . . ?
B10 B5 B9 B4 138.09(7) . . . . ?
B10 B5 B9 B8 100.68(7) . . . . ?
B10 B5 B9 B12 37.42(6) . . . . ?
B10 B6 B11 C2 -135.54(6) . . . . ?
B10 B6 B11 B7 -101.26(7) . . . . ?
B10 B6 B11 B12 -37.52(6) . . . . ?
B10 B9 B12 B7 100.35(7) . . . . ?
B10 B9 B12 B8 137.92(7) . . . . ?
B10 B9 B12 B11 36.96(6) . . . . ?
B10 B11 B12 B7 -138.23(7) . . . . ?
B10 B11 B12 B8 -100.91(7) . . . . ?
B10 B11 B12 B9 -36.98(6) . . . . ?
B11 C2 B3 C1 -98.52(6) . . . . ?
B11 C2 B3 B4 -64.66(8) . . . . ?
B11 C2 B3 B7 37.29(6) . . . . ?
B11 C2 B3 B8 -2.02(8) . . . . ?
B11 C2 B6 C1 135.44(6) . . . . ?
B11 C2 B6 B5 101.54(7) . . . . ?
B11 C2 B6 B10 39.25(6) . . . . ?
B11 C2 B7 B3 -140.59(6) . . . . ?
B11 C2 B7 B8 -101.88(7) . . . . ?
B11 C2 B7 B12 -39.19(6) . . . . ?
B11 B6 B10 B5 137.61(6) . . . . ?
B11 B6 B10 B9 100.25(7) . . . . ?
B11 B6 B10 B12 37.02(6) . . . . ?
B11 B7 B8 B3 -101.13(7) . . . . ?
B11 B7 B8 B4 -62.82(8) . . . . ?
B11 B7 B8 B9 0.03(8) . . . . ?
B11 B7 B8 B12 37.19(6) . . . . ?
B11 B7 B12 B8 -138.43(7) . . . . ?
B11 B7 B12 B9 -100.80(7) . . . . ?
B11 B7 B12 B10 -37.28(6) . . . . ?
B11 B10 B12 B7 37.22(6) . . . . ?
B11 B10 B12 B8 100.92(7) . . . . ?
B11 B10 B12 B9 138.73(7) . . . . ?
B12 B7 B8 B3 -138.32(6) . . . . ?
B12 B7 B8 B4 -100.01(7) . . . . ?
B12 B7 B8 B9 -37.15(6) . . . . ?
B12 B7 B11 C2 135.40(6) . . . . ?
B12 B7 B11 B6 100.77(7) . . . . ?
B12 B7 B11 B10 37.73(6) . . . . ?
B12 B8 B9 B4 -138.45(7) . . . . ?
B12 B8 B9 B5 -100.90(7) . . . . ?
B12 B8 B9 B10 -37.69(6) . . . . ?
B12 B9 B10 B5 -138.29(7) . . . . ?
B12 B9 B10 B6 -100.29(7) . . . . ?
B12 B9 B10 B11 -36.63(6) . . . . ?
B12 B10 B11 C2 -99.38(7) . . . . ?
B12 B10 B11 B6 -138.31(7) . . . . ?
B12 B10 B11 B7 -37.60(6) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_4840
_database_code_depnum_ccdc_archive 'CCDC 1440362'
_audit_update_record             
;
2015-12-03 deposited with the CCDC.
2016-01-12 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_THETM01_4840                
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: This was a weakly-diffracting crystal.  We are aware of the relatively low precision of this determination (and address this in the paper) but the study nevertheless establishes the molecular structure.
;

# Added during the CSD deposition process: Thursday 3rd of December 2015 12:15:02 PM
# end Validation Reply Form

_audit_creation_date             2015-10-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C8 H15 B10 N O'
_chemical_formula_sum            'C8 H15 B10 N O'
_chemical_formula_weight         249.31
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y-1/2, z-1/2'

_cell_length_a                   8.009(2)
_cell_length_b                   15.970(4)
_cell_length_c                   22.139(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2831.7(13)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    320
_cell_measurement_temperature    150.0
_cell_measurement_theta_max      13.98
_cell_measurement_theta_min      2.71
_shelx_estimated_absorpt_T_max   0.998
_shelx_estimated_absorpt_T_min   0.979
_exptl_absorpt_coefficient_mu    0.062
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.979
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 TWINABS-2008/4 (Bruker,2010) was used for absorption correction.
 
For component 1:
 wR2(int) was 0.1231 before and 0.0818 after correction.
 The Ratio of minimum to maximum transmission not present.
 The λ/2 correction factor is Not present
 
For component 2:
 wR2(int) was 0.1525 before and 0.0608 after correction.
 The Ratio of minimum to maximum transmission not present.
 The λ/2 correction factor is Not present
 
For component 3:
 wR2(int) was 0.1347 before and 0.0595 after correction.
 The Ratio of minimum to maximum transmission is 0.66.
 The λ/2 correction factor is Not present

Final HKLF 4 output contains 21512 reflections, Rint = 0.1327
 (3915 with I > 3sig(I), Rint = 0.0900)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.170
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.1752
_diffrn_reflns_Laue_measured_fraction_full 0.968
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3783
_diffrn_reflns_point_group_measured_fraction_full 0.968
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_theta_full        22.073
_diffrn_reflns_theta_max         22.073
_diffrn_reflns_theta_min         1.840
_diffrn_ambient_temperature      150.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1858
_reflns_number_total             3783
_reflns_special_details          
;
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         0.285
_refine_diff_density_min         -0.210
_refine_diff_density_rms         0.060
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     202
_refine_ls_number_reflns         3783
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.2405
_refine_ls_R_factor_gt           0.1302
_refine_ls_restrained_S_all      1.105
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1696P)²+2.5548P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3038
_refine_ls_wR_factor_ref         0.3858
_refine_special_details          
;
 Refined as a 3-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.641(10) 0.269(7) 0.090(7)
2. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All B(H,H) groups, All C(H) groups
3. Shared sites
{C1, B1}
{B10, C10}
4. Restrained distances
 N10-C10 \\sim N1-C1
 with sigma of 0.02
 O10-N10 \\sim O1-N1
 with sigma of 0.02
 C10-O10 \\sim C1-O1
 with sigma of 0.02
5. Uiso/Uaniso restraints and constraints
B10 \\sim B5: within 1.7A with sigma of 0.04 and sigma for terminal atoms of
0.08
Uanis(C1) = Uanis(B1)
Uanis(C10) = Uanis(B10)
6. Others
 Sof(H2B)=Sof(H3B)=Sof(H4B)=Sof(H5B)=Sof(H6B)=Sof(H9B)=Sof(O10)=Sof(N10)=
 Sof(H11A)=Sof(H12A)=Sof(C10)=Sof(B1)=Sof(H1)=1-FVAR(1)
 Sof(C1)=Sof(N1)=Sof(O1)=Sof(H2A)=Sof(H3A)=Sof(H4A)=Sof(H5A)=Sof(H6A)=Sof(H9A)=
 Sof(B10)=Sof(H10)=Sof(H11)=Sof(H12)=FVAR(1)
7.a Aromatic/amide H refined with riding coordinates:
 C72(H72), C73(H73), C74(H74), C75(H75), C76(H76)
7.b Boron cage BH refined with riding coordinates:
 B2(H2A), B2(H2B), B3(H3A), B3(H3B), B4(H4A), B4(H4B), B5(H5A), B5(H5B),
 B6(H6A), B6(H6B), B8(H8), B9(H9A), B9(H9B), B10(H10), B11(H11), B11(H11A),
 B12(H12), B12(H12A), B1(H1)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.184(3) 0.9938(13) 0.1010(8) 0.118(7) Uani 0.536(17) 1 d D . P A 1
N1 N 0.127(4) 1.0706(19) 0.0967(15) 0.137(13) Uani 0.536(17) 1 d D . P A 1
O1 O 0.174(4) 1.1089(16) 0.0597(14) 0.182(14) Uani 0.536(17) 1 d D . P A 1
C7 C 0.1279(16) 0.8342(7) 0.1301(5) 0.062(3) Uani 1 1 d . . . . .
C71 C 0.0062(16) 0.7663(7) 0.1467(6) 0.060(3) Uani 1 1 d . . . . .
C72 C -0.1162(19) 0.7424(9) 0.1061(6) 0.076(4) Uani 1 1 d . . . . .
H72 H -0.1225 0.7697 0.0680 0.091 Uiso 1 1 calc R . . . .
C73 C -0.2298(18) 0.6798(10) 0.1196(7) 0.088(4) Uani 1 1 d . . . . .
H73 H -0.3136 0.6645 0.0913 0.106 Uiso 1 1 calc R . . . .
C74 C -0.2194(19) 0.6395(9) 0.1750(8) 0.086(5) Uani 1 1 d . . . . .
H74 H -0.2948 0.5957 0.1849 0.103 Uiso 1 1 calc R . . . .
C75 C -0.101(2) 0.6634(9) 0.2148(7) 0.084(4) Uani 1 1 d . . . . .
H75 H -0.0954 0.6365 0.2530 0.100 Uiso 1 1 calc R . . . .
C76 C 0.0125(16) 0.7258(8) 0.2016(5) 0.071(4) Uani 1 1 d . . . . .
H76 H 0.0951 0.7409 0.2304 0.085 Uiso 1 1 calc R . . . .
B2 B 0.097(3) 0.9339(10) 0.1585(7) 0.096(6) Uani 1 1 d . . . . .
H2A H -0.0079 0.9527 0.1888 0.115 Uiso 0.536(17) 1 calc R . P A 1
H2B H -0.0079 0.9527 0.1888 0.115 Uiso 0.464(17) 1 calc R . P A 2
B3 B 0.068(2) 0.9104(10) 0.0796(7) 0.090(6) Uani 1 1 d . . . . .
H3A H -0.0587 0.9144 0.0584 0.109 Uiso 0.536(17) 1 calc R . P A 1
H3B H -0.0587 0.9144 0.0584 0.109 Uiso 0.464(17) 1 calc R . P A 2
B4 B 0.249(3) 0.9392(11) 0.0396(7) 0.103(6) Uani 1 1 d . . . . .
H4A H 0.2439 0.9622 -0.0082 0.124 Uiso 0.536(17) 1 calc R . P A 1
H4B H 0.2439 0.9622 -0.0082 0.124 Uiso 0.464(17) 1 calc R . P A 2
B5 B 0.389(3) 0.9827(13) 0.0924(9) 0.119(8) Uani 1 1 d . U . . .
H5A H 0.4773 1.0344 0.0805 0.143 Uiso 0.536(17) 1 calc R . P A 1
H5B H 0.4773 1.0344 0.0805 0.143 Uiso 0.464(17) 1 calc R . P A 2
B6 B 0.300(3) 0.9783(13) 0.1656(9) 0.115(7) Uani 1 1 d . . . . .
H6A H 0.3298 1.0260 0.2010 0.138 Uiso 0.536(17) 1 calc R . P A 1
H6B H 0.3298 1.0260 0.2010 0.138 Uiso 0.464(17) 1 calc R . P A 2
B8 B 0.214(2) 0.8326(10) 0.0590(7) 0.083(5) Uani 1 1 d . . . . .
H8 H 0.1851 0.7835 0.0245 0.100 Uiso 1 1 calc R . . . .
B9 B 0.414(3) 0.8769(11) 0.0647(8) 0.111(6) Uani 1 1 d . . . . .
H9A H 0.5202 0.8579 0.0348 0.133 Uiso 0.536(17) 1 calc R . P A 1
H9B H 0.5202 0.8579 0.0348 0.133 Uiso 0.464(17) 1 calc R . P A 2
B10 B 0.426(3) 0.9028(13) 0.1393(10) 0.128(8) Uani 0.536(17) 1 d . U P A 1
H10 H 0.5545 0.9003 0.1592 0.154 Uiso 0.536(17) 1 calc R . P A 1
O10 O 0.672(4) 0.931(2) 0.1493(17) 0.195(18) Uani 0.464(17) 1 d D . P A 2
N10 N 0.565(5) 0.901(3) 0.1687(14) 0.141(16) Uani 0.464(17) 1 d D . P A 2
B11 B 0.265(2) 0.8720(12) 0.1836(7) 0.091(5) Uani 1 1 d . . . . .
H11 H 0.2743 0.8490 0.2313 0.109 Uiso 0.536(17) 1 calc R . P A 1
H11A H 0.2743 0.8490 0.2313 0.109 Uiso 0.464(17) 1 calc R . P A 2
B12 B 0.3315(19) 0.8096(11) 0.1226(7) 0.082(5) Uani 1 1 d . . . . .
H12 H 0.3832 0.7455 0.1309 0.099 Uiso 0.536(17) 1 calc R . P A 1
H12A H 0.3832 0.7455 0.1309 0.099 Uiso 0.464(17) 1 calc R . P A 2
C10 C 0.426(3) 0.9028(13) 0.1393(10) 0.128(8) Uani 0.464(17) 1 d D . P A 2
B1 B 0.184(3) 0.9938(13) 0.1010(8) 0.118(7) Uani 0.464(17) 1 d . . P A 2
H1 H 0.1309 1.0577 0.0930 0.142 Uiso 0.464(17) 1 calc R . P A 2


_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
C1 N1 1.31(3) . ?
C1 B2 1.74(2) . ?
C1 B3 1.69(2) . ?
C1 B4 1.70(2) . ?
C1 B5 1.66(3) . ?
C1 B6 1.72(3) . ?
N1 O1 1.09(2) . ?
C7 C71 1.505(15) . ?
C7 B2 1.729(18) . ?
C7 B3 1.719(19) . ?
C7 B8 1.717(18) . ?
C7 B11 1.73(2) . ?
C7 B12 1.685(18) . ?
C71 C72 1.384(16) . ?
C71 C76 1.377(15) . ?
C72 H72 0.9500 . ?
C72 C73 1.385(16) . ?
C73 H73 0.9500 . ?
C73 C74 1.388(18) . ?
C74 H74 0.9500 . ?
C74 C75 1.350(17) . ?
C75 H75 0.9500 . ?
C75 C76 1.380(16) . ?
C76 H76 0.9500 . ?
B2 H2A 1.1200 . ?
B2 H2B 1.1200 . ?
B2 B3 1.80(2) . ?
B2 B6 1.77(3) . ?
B2 B11 1.76(3) . ?
B2 B1 1.74(2) . ?
B3 H3A 1.1200 . ?
B3 H3B 1.1200 . ?
B3 B4 1.76(2) . ?
B3 B8 1.77(2) . ?
B3 B1 1.69(2) . ?
B4 H4A 1.1200 . ?
B4 H4B 1.1200 . ?
B4 B5 1.76(3) . ?
B4 B8 1.78(2) . ?
B4 B9 1.74(3) . ?
B4 B1 1.70(2) . ?
B5 H5A 1.1200 . ?
B5 H5B 1.1200 . ?
B5 B6 1.77(3) . ?
B5 B9 1.81(3) . ?
B5 B10 1.67(3) . ?
B5 C10 1.67(3) . ?
B5 B1 1.66(3) . ?
B6 H6A 1.1200 . ?
B6 H6B 1.1200 . ?
B6 B10 1.68(3) . ?
B6 B11 1.77(3) . ?
B6 C10 1.68(3) . ?
B6 B1 1.72(3) . ?
B8 H8 1.1200 . ?
B8 B9 1.76(3) . ?
B8 B12 1.73(2) . ?
B9 H9A 1.1200 . ?
B9 H9B 1.1200 . ?
B9 B10 1.70(3) . ?
B9 B12 1.80(2) . ?
B9 C10 1.70(3) . ?
B10 H10 1.1200 . ?
B10 B11 1.69(3) . ?
B10 B12 1.71(2) . ?
O10 N10 1.07(3) . ?
N10 C10 1.29(3) . ?
B11 H11 1.1200 . ?
B11 H11A 1.1200 . ?
B11 B12 1.76(2) . ?
B11 C10 1.69(3) . ?
B12 H12 1.1200 . ?
B12 H12A 1.1200 . ?
B12 C10 1.71(2) . ?
B1 H1 1.1200 . ?

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
N1 C1 B2 115(2) . . ?
N1 C1 B3 121(3) . . ?
N1 C1 B4 122(2) . . ?
N1 C1 B5 115.9(19) . . ?
N1 C1 B6 113(2) . . ?
B3 C1 B2 63.3(9) . . ?
B3 C1 B4 62.6(10) . . ?
B3 C1 B6 114.5(14) . . ?
B4 C1 B2 115.2(13) . . ?
B4 C1 B6 115(2) . . ?
B5 C1 B2 114.9(17) . . ?
B5 C1 B3 115.2(17) . . ?
B5 C1 B4 63.3(13) . . ?
B5 C1 B6 63.2(13) . . ?
B6 C1 B2 61.8(11) . . ?
O1 N1 C1 117(3) . . ?
C71 C7 B2 118.9(10) . . ?
C71 C7 B3 119.2(11) . . ?
C71 C7 B8 118.3(9) . . ?
C71 C7 B11 119.8(10) . . ?
C71 C7 B12 118.8(10) . . ?
B3 C7 B2 63.0(8) . . ?
B3 C7 B11 112.1(10) . . ?
B8 C7 B2 113.8(10) . . ?
B8 C7 B3 61.8(9) . . ?
B8 C7 B11 112.3(10) . . ?
B11 C7 B2 61.2(9) . . ?
B12 C7 B2 112.8(11) . . ?
B12 C7 B3 111.8(11) . . ?
B12 C7 B8 61.2(9) . . ?
B12 C7 B11 62.2(9) . . ?
C72 C71 C7 119.9(11) . . ?
C76 C71 C7 122.0(12) . . ?
C76 C71 C72 118.1(11) . . ?
C71 C72 H72 119.2 . . ?
C71 C72 C73 121.6(12) . . ?
C73 C72 H72 119.2 . . ?
C72 C73 H73 120.4 . . ?
C72 C73 C74 119.1(13) . . ?
C74 C73 H73 120.4 . . ?
C73 C74 H74 120.4 . . ?
C75 C74 C73 119.2(13) . . ?
C75 C74 H74 120.4 . . ?
C74 C75 H75 119.0 . . ?
C74 C75 C76 121.9(13) . . ?
C76 C75 H75 119.0 . . ?
C71 C76 C75 120.1(12) . . ?
C71 C76 H76 119.9 . . ?
C75 C76 H76 119.9 . . ?
C1 B2 H2A 126.4 . . ?
C1 B2 B3 57.2(9) . . ?
C1 B2 B6 58.6(11) . . ?
C1 B2 B11 103.7(15) . . ?
C7 B2 C1 100.6(12) . . ?
C7 B2 H2A 124.8 . . ?
C7 B2 H2B 124.8 . . ?
C7 B2 B3 58.3(8) . . ?
C7 B2 B6 105.7(14) . . ?
C7 B2 B11 59.3(8) . . ?
C7 B2 B1 100.6(12) . . ?
B3 B2 H2A 122.6 . . ?
B3 B2 H2B 122.6 . . ?
B6 B2 H2A 121.9 . . ?
B6 B2 H2B 121.9 . . ?
B6 B2 B3 106.8(12) . . ?
B11 B2 H2A 122.4 . . ?
B11 B2 H2B 122.4 . . ?
B11 B2 B3 106.9(12) . . ?
B11 B2 B6 60.0(12) . . ?
B1 B2 H2B 126.4 . . ?
B1 B2 B3 57.2(9) . . ?
B1 B2 B6 58.6(11) . . ?
B1 B2 B11 103.7(15) . . ?
C1 B3 C7 102.8(13) . . ?
C1 B3 B2 59.5(10) . . ?
C1 B3 H3A 124.8 . . ?
C1 B3 B4 58.8(10) . . ?
C1 B3 B8 105.2(15) . . ?
C7 B3 B2 58.8(8) . . ?
C7 B3 H3A 124.5 . . ?
C7 B3 H3B 124.5 . . ?
C7 B3 B4 106.3(13) . . ?
C7 B3 B8 59.0(8) . . ?
B2 B3 H3A 121.0 . . ?
B2 B3 H3B 121.0 . . ?
B4 B3 B2 109.0(12) . . ?
B4 B3 H3A 121.3 . . ?
B4 B3 H3B 121.3 . . ?
B4 B3 B8 60.5(10) . . ?
B8 B3 B2 108.1(12) . . ?
B8 B3 H3A 122.1 . . ?
B8 B3 H3B 122.1 . . ?
B1 B3 C7 102.8(13) . . ?
B1 B3 B2 59.5(10) . . ?
B1 B3 H3B 124.8 . . ?
B1 B3 B4 58.8(10) . . ?
B1 B3 B8 105.2(15) . . ?
C1 B4 B3 58.6(10) . . ?
C1 B4 H4A 125.1 . . ?
C1 B4 B5 57.3(11) . . ?
C1 B4 B8 104.5(12) . . ?
C1 B4 B9 105.6(15) . . ?
B3 B4 H4A 121.9 . . ?
B3 B4 H4B 121.9 . . ?
B3 B4 B8 59.9(9) . . ?
B5 B4 B3 107.0(12) . . ?
B5 B4 H4A 121.4 . . ?
B5 B4 H4B 121.4 . . ?
B5 B4 B8 108.5(14) . . ?
B8 B4 H4A 122.4 . . ?
B8 B4 H4B 122.4 . . ?
B9 B4 B3 108.3(13) . . ?
B9 B4 H4A 121.2 . . ?
B9 B4 H4B 121.2 . . ?
B9 B4 B5 62.1(12) . . ?
B9 B4 B8 59.8(10) . . ?
B1 B4 B3 58.6(10) . . ?
B1 B4 H4B 125.1 . . ?
B1 B4 B5 57.3(11) . . ?
B1 B4 B8 104.5(12) . . ?
B1 B4 B9 105.6(15) . . ?
C1 B5 B4 59.4(12) . . ?
C1 B5 H5A 124.9 . . ?
C1 B5 B6 60.1(12) . . ?
C1 B5 B9 104.4(15) . . ?
C1 B5 B10 100.8(17) . . ?
B4 B5 H5A 122.4 . . ?
B4 B5 H5B 122.4 . . ?
B4 B5 B6 109.6(15) . . ?
B4 B5 B9 58.5(10) . . ?
B6 B5 H5A 120.0 . . ?
B6 B5 H5B 120.0 . . ?
B6 B5 B9 108.5(14) . . ?
B9 B5 H5A 122.6 . . ?
B9 B5 H5B 122.6 . . ?
B10 B5 B4 102.9(15) . . ?
B10 B5 H5A 126.6 . . ?
B10 B5 B6 58.3(12) . . ?
B10 B5 B9 58.5(12) . . ?
C10 B5 B4 102.9(15) . . ?
C10 B5 H5B 126.6 . . ?
C10 B5 B6 58.3(12) . . ?
C10 B5 B9 58.5(12) . . ?
B1 B5 B4 59.4(12) . . ?
B1 B5 H5B 124.9 . . ?
B1 B5 B6 60.1(12) . . ?
B1 B5 B9 104.4(15) . . ?
B1 B5 C10 100.8(17) . . ?
C1 B6 B2 59.5(10) . . ?
C1 B6 B5 56.7(11) . . ?
C1 B6 H6A 126.9 . . ?
C1 B6 B11 104.0(13) . . ?
B2 B6 H6A 122.0 . . ?
B2 B6 H6B 122.0 . . ?
B5 B6 B2 107.6(14) . . ?
B5 B6 H6A 121.8 . . ?
B5 B6 H6B 121.8 . . ?
B10 B6 C1 98.0(17) . . ?
B10 B6 B2 103.4(15) . . ?
B10 B6 B5 57.9(13) . . ?
B10 B6 H6A 127.0 . . ?
B10 B6 B11 58.8(12) . . ?
B11 B6 B2 59.5(9) . . ?
B11 B6 B5 107.9(14) . . ?
B11 B6 H6A 121.9 . . ?
B11 B6 H6B 121.9 . . ?
C10 B6 B2 103.4(15) . . ?
C10 B6 B5 57.9(13) . . ?
C10 B6 H6B 127.0 . . ?
C10 B6 B11 58.8(12) . . ?
C10 B6 B1 98.0(17) . . ?
B1 B6 B2 59.5(10) . . ?
B1 B6 B5 56.7(11) . . ?
B1 B6 H6B 126.9 . . ?
B1 B6 B11 104.0(13) . . ?
C7 B8 B3 59.1(8) . . ?
C7 B8 B4 105.7(11) . . ?
C7 B8 H8 123.5 . . ?
C7 B8 B9 107.1(11) . . ?
C7 B8 B12 58.5(8) . . ?
B3 B8 B4 59.6(10) . . ?
B3 B8 H8 122.2 . . ?
B4 B8 H8 122.6 . . ?
B9 B8 B3 107.6(12) . . ?
B9 B8 B4 59.1(10) . . ?
B9 B8 H8 121.4 . . ?
B12 B8 B3 107.4(11) . . ?
B12 B8 B4 108.3(12) . . ?
B12 B8 H8 121.2 . . ?
B12 B8 B9 62.1(9) . . ?
B4 B9 B5 59.4(11) . . ?
B4 B9 B8 61.0(10) . . ?
B4 B9 H9A 122.7 . . ?
B4 B9 H9B 122.7 . . ?
B4 B9 B12 106.9(14) . . ?
B5 B9 H9A 122.6 . . ?
B5 B9 H9B 122.6 . . ?
B8 B9 B5 107.4(15) . . ?
B8 B9 H9A 122.8 . . ?
B8 B9 H9B 122.8 . . ?
B8 B9 B12 58.4(9) . . ?
B10 B9 B4 102.4(16) . . ?
B10 B9 B5 56.7(11) . . ?
B10 B9 B8 102.7(14) . . ?
B10 B9 H9A 126.5 . . ?
B10 B9 B12 58.4(10) . . ?
B12 B9 B5 106.0(13) . . ?
B12 B9 H9A 122.6 . . ?
B12 B9 H9B 122.6 . . ?
C10 B9 B4 102.4(16) . . ?
C10 B9 B5 56.7(11) . . ?
C10 B9 B8 102.7(14) . . ?
C10 B9 H9B 126.5 . . ?
C10 B9 B12 58.4(10) . . ?
B5 B10 B6 63.8(14) . . ?
B5 B10 B9 64.8(13) . . ?
B5 B10 H10 115.8 . . ?
B5 B10 B11 116(2) . . ?
B5 B10 B12 116.9(18) . . ?
B6 B10 B9 118(2) . . ?
B6 B10 H10 116.3 . . ?
B6 B10 B11 63.1(12) . . ?
B6 B10 B12 115.6(17) . . ?
B9 B10 H10 115.2 . . ?
B9 B10 B12 63.6(10) . . ?
B11 B10 B9 116.6(15) . . ?
B11 B10 H10 117.4 . . ?
B11 B10 B12 62.3(10) . . ?
B12 B10 H10 117.4 . . ?
O10 N10 C10 118(4) . . ?
C7 B11 B2 59.5(8) . . ?
C7 B11 B6 106.3(12) . . ?
C7 B11 H11 125.1 . . ?
C7 B11 H11A 125.1 . . ?
C7 B11 B12 57.8(7) . . ?
B2 B11 B6 60.5(11) . . ?
B2 B11 H11 122.3 . . ?
B2 B11 H11A 122.3 . . ?
B2 B11 B12 107.8(12) . . ?
B6 B11 H11 121.2 . . ?
B6 B11 H11A 121.2 . . ?
B10 B11 C7 100.8(12) . . ?
B10 B11 B2 103.5(16) . . ?
B10 B11 B6 58.0(11) . . ?
B10 B11 H11 126.3 . . ?
B10 B11 B12 59.3(10) . . ?
B12 B11 B6 108.8(12) . . ?
B12 B11 H11 121.1 . . ?
B12 B11 H11A 121.1 . . ?
C10 B11 C7 100.8(12) . . ?
C10 B11 B2 103.5(16) . . ?
C10 B11 B6 58.0(11) . . ?
C10 B11 H11A 126.3 . . ?
C10 B11 B12 59.3(10) . . ?
C7 B12 B8 60.3(8) . . ?
C7 B12 B9 106.6(13) . . ?
C7 B12 B10 101.8(14) . . ?
C7 B12 B11 60.0(9) . . ?
C7 B12 H12 123.7 . . ?
C7 B12 H12A 123.7 . . ?
C7 B12 C10 101.8(14) . . ?
B8 B12 B9 59.6(10) . . ?
B8 B12 B11 109.8(13) . . ?
B8 B12 H12 121.9 . . ?
B8 B12 H12A 121.9 . . ?
B9 B12 H12 121.9 . . ?
B9 B12 H12A 121.9 . . ?
B10 B12 B8 103.3(14) . . ?
B10 B12 B9 58.0(10) . . ?
B10 B12 B11 58.4(10) . . ?
B10 B12 H12 126.6 . . ?
B11 B12 B9 108.6(12) . . ?
B11 B12 H12 120.2 . . ?
B11 B12 H12A 120.2 . . ?
C10 B12 B8 103.3(14) . . ?
C10 B12 B9 58.0(10) . . ?
C10 B12 B11 58.4(10) . . ?
C10 B12 H12A 126.6 . . ?
B5 C10 B6 63.8(14) . . ?
B5 C10 B9 64.8(13) . . ?
B5 C10 B11 116(2) . . ?
B5 C10 B12 116.9(18) . . ?
B6 C10 B9 118(2) . . ?
B6 C10 B11 63.1(12) . . ?
B6 C10 B12 115.6(17) . . ?
B9 C10 B12 63.6(10) . . ?
N10 C10 B5 119(2) . . ?
N10 C10 B6 111(2) . . ?
N10 C10 B9 122(2) . . ?
N10 C10 B11 111(2) . . ?
N10 C10 B12 118(3) . . ?
B11 C10 B9 116.6(15) . . ?
B11 C10 B12 62.3(10) . . ?
B2 B1 H1 117.7 . . ?
B3 B1 B2 63.3(9) . . ?
B3 B1 B4 62.6(10) . . ?
B3 B1 B6 114.5(14) . . ?
B3 B1 H1 117.5 . . ?
B4 B1 B2 115.2(13) . . ?
B4 B1 B6 115(2) . . ?
B4 B1 H1 117.2 . . ?
B5 B1 B2 114.9(17) . . ?
B5 B1 B3 115.2(17) . . ?
B5 B1 B4 63.3(13) . . ?
B5 B1 B6 63.2(13) . . ?
B5 B1 H1 117.1 . . ?
B6 B1 B2 61.8(11) . . ?
B6 B1 H1 117.9 . . ?

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
C1 B2 B3 C7 131.1(16) . . . . ?
C1 B2 B3 B4 33.1(15) . . . . ?
C1 B2 B3 B8 97.3(16) . . . . ?
C1 B2 B6 B5 -31.4(14) . . . . ?
C1 B2 B6 B10 -91.5(17) . . . . ?
C1 B2 B6 B11 -132.2(14) . . . . ?
C1 B2 B11 C7 -94.4(11) . . . . ?
C1 B2 B11 B6 40.6(11) . . . . ?
C1 B2 B11 B10 0.3(13) . . . . ?
C1 B2 B11 B12 -61.4(13) . . . . ?
C1 B3 B4 B5 31.9(14) . . . . ?
C1 B3 B4 B8 133.9(15) . . . . ?
C1 B3 B4 B9 97.5(15) . . . . ?
C1 B3 B8 C7 96.0(12) . . . . ?
C1 B3 B8 B4 -39.7(11) . . . . ?
C1 B3 B8 B9 -3.8(15) . . . . ?
C1 B3 B8 B12 61.7(14) . . . . ?
C1 B4 B5 B6 34.4(16) . . . . ?
C1 B4 B5 B9 134.6(14) . . . . ?
C1 B4 B5 B10 95.0(18) . . . . ?
C1 B4 B8 C7 0.9(18) . . . . ?
C1 B4 B8 B3 39.4(14) . . . . ?
C1 B4 B8 B9 -99.9(16) . . . . ?
C1 B4 B8 B12 -60.5(17) . . . . ?
C1 B4 B9 B5 -38.5(11) . . . . ?
C1 B4 B9 B8 97.9(12) . . . . ?
C1 B4 B9 B10 0.1(16) . . . . ?
C1 B4 B9 B12 60.5(14) . . . . ?
C1 B5 B6 B2 32.4(14) . . . . ?
C1 B5 B6 B10 127.5(17) . . . . ?
C1 B5 B6 B11 95.3(15) . . . . ?
C1 B5 B9 B4 39.3(13) . . . . ?
C1 B5 B9 B8 0.1(16) . . . . ?
C1 B5 B9 B10 -93.9(17) . . . . ?
C1 B5 B9 B12 -61.1(16) . . . . ?
C1 B5 B10 B6 -44.4(13) . . . . ?
C1 B5 B10 B9 100.4(15) . . . . ?
C1 B5 B10 B11 -8.2(19) . . . . ?
C1 B5 B10 B12 63(2) . . . . ?
C1 B6 B10 B5 42.1(12) . . . . ?
C1 B6 B10 B9 5.7(18) . . . . ?
C1 B6 B10 B11 -101.6(13) . . . . ?
C1 B6 B10 B12 -66.8(18) . . . . ?
C1 B6 B11 C7 -1.7(17) . . . . ?
C1 B6 B11 B2 -41.2(13) . . . . ?
C1 B6 B11 B10 91.0(18) . . . . ?
C1 B6 B11 B12 59.1(17) . . . . ?
N1 C1 B2 C7 155(2) . . . . ?
N1 C1 B2 B3 114(3) . . . . ?
N1 C1 B2 B6 -103(2) . . . . ?
N1 C1 B2 B11 -144(2) . . . . ?
N1 C1 B3 C7 -146(2) . . . . ?
N1 C1 B3 B2 -105(2) . . . . ?
N1 C1 B3 B4 112(2) . . . . ?
N1 C1 B3 B8 153(2) . . . . ?
N1 C1 B4 B3 -112(3) . . . . ?
N1 C1 B4 B5 105(3) . . . . ?
N1 C1 B4 B8 -152(2) . . . . ?
N1 C1 B4 B9 146(3) . . . . ?
N1 C1 B5 B4 -114(2) . . . . ?
N1 C1 B5 B6 103(2) . . . . ?
N1 C1 B5 B9 -153(2) . . . . ?
N1 C1 B5 B10 147(2) . . . . ?
N1 C1 B6 B2 108(2) . . . . ?
N1 C1 B6 B5 -109(2) . . . . ?
N1 C1 B6 B10 -151(2) . . . . ?
N1 C1 B6 B11 149(2) . . . . ?
C7 C71 C72 C73 179.6(11) . . . . ?
C7 C71 C76 C75 -179.5(11) . . . . ?
C7 B2 B3 C1 -131.1(16) . . . . ?
C7 B2 B3 B4 -98.0(14) . . . . ?
C7 B2 B3 B8 -33.8(10) . . . . ?
C7 B2 B3 B1 -131.1(16) . . . . ?
C7 B2 B6 C1 93.0(14) . . . . ?
C7 B2 B6 B5 61.7(17) . . . . ?
C7 B2 B6 B10 1.6(16) . . . . ?
C7 B2 B6 B11 -39.2(10) . . . . ?
C7 B2 B6 C10 1.6(16) . . . . ?
C7 B2 B6 B1 93.0(14) . . . . ?
C7 B2 B11 B6 135.0(11) . . . . ?
C7 B2 B11 B10 94.7(11) . . . . ?
C7 B2 B11 B12 33.0(9) . . . . ?
C7 B2 B11 C10 94.7(11) . . . . ?
C7 B2 B1 B3 40.7(13) . . . . ?
C7 B2 B1 B4 4(2) . . . . ?
C7 B2 B1 B5 -66.4(16) . . . . ?
C7 B2 B1 B6 -102.1(15) . . . . ?
C7 B3 B4 C1 -95.3(14) . . . . ?
C7 B3 B4 B5 -63.4(16) . . . . ?
C7 B3 B4 B8 38.6(9) . . . . ?
C7 B3 B4 B9 2.2(14) . . . . ?
C7 B3 B4 B1 -95.3(14) . . . . ?
C7 B3 B8 B4 -135.7(12) . . . . ?
C7 B3 B8 B9 -99.8(11) . . . . ?
C7 B3 B8 B12 -34.4(9) . . . . ?
C7 B3 B1 B2 -41.4(12) . . . . ?
C7 B3 B1 B4 101.5(14) . . . . ?
C7 B3 B1 B5 65.1(16) . . . . ?
C7 B3 B1 B6 -5(2) . . . . ?
C7 B8 B9 B4 -98.4(12) . . . . ?
C7 B8 B9 B5 -59.9(14) . . . . ?
C7 B8 B9 B10 -1.2(17) . . . . ?
C7 B8 B9 B12 38.5(11) . . . . ?
C7 B8 B9 C10 -1.2(17) . . . . ?
C7 B8 B12 B9 -135.7(12) . . . . ?
C7 B8 B12 B10 -96.1(13) . . . . ?
C7 B8 B12 B11 -35.3(10) . . . . ?
C7 B8 B12 C10 -96.1(13) . . . . ?
C7 B11 B12 B8 35.4(10) . . . . ?
C7 B11 B12 B9 98.8(13) . . . . ?
C7 B11 B12 B10 129.2(16) . . . . ?
C7 B11 B12 C10 129.2(16) . . . . ?
C7 B11 C10 B5 66.1(17) . . . . ?
C7 B11 C10 B6 102.6(13) . . . . ?
C7 B11 C10 B9 -7(2) . . . . ?
C7 B11 C10 N10 -153(2) . . . . ?
C7 B11 C10 B12 -41.9(12) . . . . ?
C7 B12 C10 B5 -64.0(18) . . . . ?
C7 B12 C10 B6 8(2) . . . . ?
C7 B12 C10 B9 -102.3(13) . . . . ?
C7 B12 C10 N10 144(2) . . . . ?
C7 B12 C10 B11 43.3(12) . . . . ?
C71 C7 B2 C1 -150.2(13) . . . . ?
C71 C7 B2 B3 -110.1(13) . . . . ?
C71 C7 B2 B6 149.6(12) . . . . ?
C71 C7 B2 B11 110.1(12) . . . . ?
C71 C7 B2 B1 -150.2(13) . . . . ?
C71 C7 B3 C1 151.4(12) . . . . ?
C71 C7 B3 B2 109.7(12) . . . . ?
C71 C7 B3 B4 -147.7(10) . . . . ?
C71 C7 B3 B8 -108.4(11) . . . . ?
C71 C7 B3 B1 151.4(12) . . . . ?
C71 C7 B8 B3 109.9(13) . . . . ?
C71 C7 B8 B4 148.7(12) . . . . ?
C71 C7 B8 B9 -149.4(12) . . . . ?
C71 C7 B8 B12 -109.2(12) . . . . ?
C71 C7 B11 B2 -108.7(12) . . . . ?
C71 C7 B11 B6 -148.6(11) . . . . ?
C71 C7 B11 B10 151.8(14) . . . . ?
C71 C7 B11 B12 109.0(12) . . . . ?
C71 C7 B11 C10 151.8(14) . . . . ?
C71 C7 B12 B8 108.3(11) . . . . ?
C71 C7 B12 B9 147.2(11) . . . . ?
C71 C7 B12 B10 -152.9(12) . . . . ?
C71 C7 B12 B11 -110.5(12) . . . . ?
C71 C7 B12 C10 -152.9(12) . . . . ?
C71 C72 C73 C74 -1(2) . . . . ?
C72 C71 C76 C75 0.1(18) . . . . ?
C72 C73 C74 C75 1(2) . . . . ?
C73 C74 C75 C76 -1(2) . . . . ?
C74 C75 C76 C71 1(2) . . . . ?
C76 C71 C72 C73 0.0(19) . . . . ?
B2 C1 N1 O1 -177(4) . . . . ?
B2 C1 B3 C7 -41.4(12) . . . . ?
B2 C1 B3 B4 -142.9(16) . . . . ?
B2 C1 B3 B8 -102.3(13) . . . . ?
B2 C1 B4 B3 36.6(15) . . . . ?
B2 C1 B4 B5 -106(2) . . . . ?
B2 C1 B4 B8 -3(2) . . . . ?
B2 C1 B4 B9 -66(2) . . . . ?
B2 C1 B5 B4 107.0(15) . . . . ?
B2 C1 B5 B6 -35.2(13) . . . . ?
B2 C1 B5 B9 68.2(16) . . . . ?
B2 C1 B5 B10 8.2(18) . . . . ?
B2 C1 B6 B5 143.6(15) . . . . ?
B2 C1 B6 B10 100.9(13) . . . . ?
B2 C1 B6 B11 41.1(12) . . . . ?
B2 C7 C71 C72 101.3(13) . . . . ?
B2 C7 C71 C76 -79.1(15) . . . . ?
B2 C7 B3 C1 41.7(13) . . . . ?
B2 C7 B3 B4 102.6(13) . . . . ?
B2 C7 B3 B8 141.9(12) . . . . ?
B2 C7 B3 B1 41.7(13) . . . . ?
B2 C7 B8 B3 -36.9(12) . . . . ?
B2 C7 B8 B4 1.8(15) . . . . ?
B2 C7 B8 B9 63.7(14) . . . . ?
B2 C7 B8 B12 103.9(12) . . . . ?
B2 C7 B11 B6 -39.9(12) . . . . ?
B2 C7 B11 B10 -99.5(16) . . . . ?
B2 C7 B11 B12 -142.2(12) . . . . ?
B2 C7 B11 C10 -99.5(16) . . . . ?
B2 C7 B12 B8 -105.6(11) . . . . ?
B2 C7 B12 B9 -66.7(12) . . . . ?
B2 C7 B12 B10 -6.8(14) . . . . ?
B2 C7 B12 B11 35.6(11) . . . . ?
B2 C7 B12 C10 -6.8(14) . . . . ?
B2 B3 B4 C1 -33.4(14) . . . . ?
B2 B3 B4 B5 -1.4(19) . . . . ?
B2 B3 B4 B8 100.5(12) . . . . ?
B2 B3 B4 B9 64.1(14) . . . . ?
B2 B3 B4 B1 -33.4(14) . . . . ?
B2 B3 B8 C7 33.7(10) . . . . ?
B2 B3 B8 B4 -102.0(12) . . . . ?
B2 B3 B8 B9 -66.1(14) . . . . ?
B2 B3 B8 B12 -0.6(15) . . . . ?
B2 B3 B1 B4 142.9(16) . . . . ?
B2 B3 B1 B5 106.5(17) . . . . ?
B2 B3 B1 B6 35.9(15) . . . . ?
B2 B6 B10 B5 102.5(15) . . . . ?
B2 B6 B10 B9 66.2(17) . . . . ?
B2 B6 B10 B11 -41.1(13) . . . . ?
B2 B6 B10 B12 -6(2) . . . . ?
B2 B6 B11 C7 39.4(11) . . . . ?
B2 B6 B11 B10 132.1(16) . . . . ?
B2 B6 B11 B12 100.3(13) . . . . ?
B2 B6 B11 C10 132.1(16) . . . . ?
B2 B6 C10 B5 102.5(15) . . . . ?
B2 B6 C10 B9 66.2(17) . . . . ?
B2 B6 C10 N10 -144(2) . . . . ?
B2 B6 C10 B11 -41.1(13) . . . . ?
B2 B6 C10 B12 -6(2) . . . . ?
B2 B6 B1 B3 -36.5(15) . . . . ?
B2 B6 B1 B4 -106.3(14) . . . . ?
B2 B6 B1 B5 -143.6(15) . . . . ?
B2 B11 B12 C7 -33.7(10) . . . . ?
B2 B11 B12 B8 1.7(15) . . . . ?
B2 B11 B12 B9 65.1(14) . . . . ?
B2 B11 B12 B10 95.5(17) . . . . ?
B2 B11 B12 C10 95.5(17) . . . . ?
B2 B11 C10 B5 5.1(18) . . . . ?
B2 B11 C10 B6 41.6(13) . . . . ?
B2 B11 C10 B9 -68(2) . . . . ?
B2 B11 C10 N10 146(3) . . . . ?
B2 B11 C10 B12 -102.9(12) . . . . ?
B3 C1 N1 O1 -104(4) . . . . ?
B3 C1 B2 C7 40.7(13) . . . . ?
B3 C1 B2 B6 142.8(17) . . . . ?
B3 C1 B2 B11 101.5(13) . . . . ?
B3 C1 B4 B5 -143.0(15) . . . . ?
B3 C1 B4 B8 -40.1(13) . . . . ?
B3 C1 B4 B9 -102.2(14) . . . . ?
B3 C1 B5 B4 36.2(13) . . . . ?
B3 C1 B5 B6 -106.0(16) . . . . ?
B3 C1 B5 B9 -2.7(18) . . . . ?
B3 C1 B5 B10 -62.6(17) . . . . ?
B3 C1 B6 B2 -36.5(15) . . . . ?
B3 C1 B6 B5 107.2(19) . . . . ?
B3 C1 B6 B10 64.5(18) . . . . ?
B3 C1 B6 B11 5(2) . . . . ?
B3 C7 C71 C72 27.9(16) . . . . ?
B3 C7 C71 C76 -152.4(11) . . . . ?
B3 C7 B2 C1 -40.1(13) . . . . ?
B3 C7 B2 B6 -100.3(12) . . . . ?
B3 C7 B2 B11 -139.8(12) . . . . ?
B3 C7 B2 B1 -40.1(13) . . . . ?
B3 C7 B8 B4 38.7(11) . . . . ?
B3 C7 B8 B9 100.6(13) . . . . ?
B3 C7 B8 B12 140.8(12) . . . . ?
B3 C7 B11 B2 38.3(11) . . . . ?
B3 C7 B11 B6 -1.5(15) . . . . ?
B3 C7 B11 B10 -61.1(16) . . . . ?
B3 C7 B11 B12 -103.9(12) . . . . ?
B3 C7 B11 C10 -61.1(16) . . . . ?
B3 C7 B12 B8 -36.9(11) . . . . ?
B3 C7 B12 B9 2.0(14) . . . . ?
B3 C7 B12 B10 61.9(14) . . . . ?
B3 C7 B12 B11 104.3(11) . . . . ?
B3 C7 B12 C10 61.9(14) . . . . ?
B3 B2 B6 C1 32.1(14) . . . . ?
B3 B2 B6 B5 0.7(19) . . . . ?
B3 B2 B6 B10 -59.4(16) . . . . ?
B3 B2 B6 B11 -100.1(12) . . . . ?
B3 B2 B6 C10 -59.4(16) . . . . ?
B3 B2 B6 B1 32.1(14) . . . . ?
B3 B2 B11 C7 -35.0(10) . . . . ?
B3 B2 B11 B6 100.0(12) . . . . ?
B3 B2 B11 B10 59.7(13) . . . . ?
B3 B2 B11 B12 -2.0(14) . . . . ?
B3 B2 B11 C10 59.7(13) . . . . ?
B3 B2 B1 B4 -36.3(15) . . . . ?
B3 B2 B1 B5 -107.1(18) . . . . ?
B3 B2 B1 B6 -142.8(17) . . . . ?
B3 B4 B5 C1 -32.4(13) . . . . ?
B3 B4 B5 B6 2(2) . . . . ?
B3 B4 B5 B9 102.1(15) . . . . ?
B3 B4 B5 B10 63(2) . . . . ?
B3 B4 B5 C10 63(2) . . . . ?
B3 B4 B5 B1 -32.4(13) . . . . ?
B3 B4 B8 C7 -38.5(11) . . . . ?
B3 B4 B8 B9 -139.3(13) . . . . ?
B3 B4 B8 B12 -99.9(13) . . . . ?
B3 B4 B9 B5 -99.9(13) . . . . ?
B3 B4 B9 B8 36.4(11) . . . . ?
B3 B4 B9 B10 -61.4(14) . . . . ?
B3 B4 B9 B12 -1.0(15) . . . . ?
B3 B4 B9 C10 -61.4(14) . . . . ?
B3 B4 B1 B2 36.6(15) . . . . ?
B3 B4 B1 B5 143.0(15) . . . . ?
B3 B4 B1 B6 105.8(15) . . . . ?
B3 B8 B9 B4 -36.2(11) . . . . ?
B3 B8 B9 B5 2.3(15) . . . . ?
B3 B8 B9 B10 61.1(16) . . . . ?
B3 B8 B9 B12 100.8(12) . . . . ?
B3 B8 B9 C10 61.1(16) . . . . ?
B3 B8 B12 C7 34.6(10) . . . . ?
B3 B8 B12 B9 -101.1(13) . . . . ?
B3 B8 B12 B10 -61.5(14) . . . . ?
B3 B8 B12 B11 -0.6(15) . . . . ?
B3 B8 B12 C10 -61.5(14) . . . . ?
B4 C1 N1 O1 -29(5) . . . . ?
B4 C1 B2 C7 4(2) . . . . ?
B4 C1 B2 B3 -36.3(15) . . . . ?
B4 C1 B2 B6 106(2) . . . . ?
B4 C1 B2 B11 65.1(19) . . . . ?
B4 C1 B3 C7 101.5(14) . . . . ?
B4 C1 B3 B2 142.9(16) . . . . ?
B4 C1 B3 B8 40.5(13) . . . . ?
B4 C1 B5 B6 -142.2(16) . . . . ?
B4 C1 B5 B9 -38.8(12) . . . . ?
B4 C1 B5 B10 -98.8(15) . . . . ?
B4 C1 B6 B2 -106.3(14) . . . . ?
B4 C1 B6 B5 37.3(14) . . . . ?
B4 C1 B6 B10 -5.4(17) . . . . ?
B4 C1 B6 B11 -65.2(16) . . . . ?
B4 B3 B8 C7 135.7(12) . . . . ?
B4 B3 B8 B9 36.0(11) . . . . ?
B4 B3 B8 B12 101.4(12) . . . . ?
B4 B3 B1 B2 -142.9(16) . . . . ?
B4 B3 B1 B5 -36.4(14) . . . . ?
B4 B3 B1 B6 -107(2) . . . . ?
B4 B5 B6 C1 -34.1(16) . . . . ?
B4 B5 B6 B2 -2(2) . . . . ?
B4 B5 B6 B10 93.4(17) . . . . ?
B4 B5 B6 B11 61(2) . . . . ?
B4 B5 B6 C10 93.4(17) . . . . ?
B4 B5 B6 B1 -34.1(16) . . . . ?
B4 B5 B9 B8 -39.2(11) . . . . ?
B4 B5 B9 B10 -133.2(17) . . . . ?
B4 B5 B9 B12 -100.4(15) . . . . ?
B4 B5 B9 C10 -133.2(17) . . . . ?
B4 B5 B10 B6 -105.2(17) . . . . ?
B4 B5 B10 B9 39.6(14) . . . . ?
B4 B5 B10 B11 -69.0(19) . . . . ?
B4 B5 B10 B12 2(2) . . . . ?
B4 B5 C10 B6 -105.2(17) . . . . ?
B4 B5 C10 B9 39.6(14) . . . . ?
B4 B5 C10 N10 154(3) . . . . ?
B4 B5 C10 B11 -69.0(19) . . . . ?
B4 B5 C10 B12 2(2) . . . . ?
B4 B5 B1 B2 107.0(15) . . . . ?
B4 B5 B1 B3 36.2(13) . . . . ?
B4 B5 B1 B6 142.2(16) . . . . ?
B4 B8 B9 B5 38.5(11) . . . . ?
B4 B8 B9 B10 97.3(15) . . . . ?
B4 B8 B9 B12 136.9(12) . . . . ?
B4 B8 B9 C10 97.3(15) . . . . ?
B4 B8 B12 C7 97.6(12) . . . . ?
B4 B8 B12 B9 -38.1(11) . . . . ?
B4 B8 B12 B10 1.5(15) . . . . ?
B4 B8 B12 B11 62.4(14) . . . . ?
B4 B8 B12 C10 1.5(15) . . . . ?
B4 B9 B10 B5 -40.0(14) . . . . ?
B4 B9 B10 B6 -3.9(19) . . . . ?
B4 B9 B10 B11 68(2) . . . . ?
B4 B9 B10 B12 102.4(15) . . . . ?
B4 B9 B12 C7 -0.6(14) . . . . ?
B4 B9 B12 B8 38.6(11) . . . . ?
B4 B9 B12 B10 -94.4(17) . . . . ?
B4 B9 B12 B11 -63.9(14) . . . . ?
B4 B9 B12 C10 -94.4(17) . . . . ?
B4 B9 C10 B5 -40.0(14) . . . . ?
B4 B9 C10 B6 -3.9(19) . . . . ?
B4 B9 C10 N10 -150(3) . . . . ?
B4 B9 C10 B11 68(2) . . . . ?
B4 B9 C10 B12 102.4(15) . . . . ?
B5 C1 N1 O1 45(5) . . . . ?
B5 C1 B2 C7 -66.4(16) . . . . ?
B5 C1 B2 B3 -107.1(18) . . . . ?
B5 C1 B2 B6 35.7(14) . . . . ?
B5 C1 B2 B11 -5.6(16) . . . . ?
B5 C1 B3 C7 65.1(16) . . . . ?
B5 C1 B3 B2 106.5(17) . . . . ?
B5 C1 B3 B4 -36.4(14) . . . . ?
B5 C1 B3 B8 4.1(18) . . . . ?
B5 C1 B4 B3 143.0(15) . . . . ?
B5 C1 B4 B8 103.0(15) . . . . ?
B5 C1 B4 B9 40.8(12) . . . . ?
B5 C1 B6 B2 -143.6(15) . . . . ?
B5 C1 B6 B10 -42.7(12) . . . . ?
B5 C1 B6 B11 -102.5(15) . . . . ?
B5 B4 B8 C7 60.8(16) . . . . ?
B5 B4 B8 B3 99.3(14) . . . . ?
B5 B4 B8 B9 -40.0(14) . . . . ?
B5 B4 B8 B12 -0.6(18) . . . . ?
B5 B4 B9 B8 136.4(13) . . . . ?
B5 B4 B9 B10 38.6(12) . . . . ?
B5 B4 B9 B12 99.0(13) . . . . ?
B5 B4 B9 C10 38.6(12) . . . . ?
B5 B4 B1 B2 -106(2) . . . . ?
B5 B4 B1 B3 -143.0(15) . . . . ?
B5 B4 B1 B6 -37.3(14) . . . . ?
B5 B6 B10 B9 -36.3(15) . . . . ?
B5 B6 B10 B11 -143.6(16) . . . . ?
B5 B6 B10 B12 -109(2) . . . . ?
B5 B6 B11 C7 -60.9(17) . . . . ?
B5 B6 B11 B2 -100.3(16) . . . . ?
B5 B6 B11 B10 31.9(16) . . . . ?
B5 B6 B11 B12 0.0(18) . . . . ?
B5 B6 B11 C10 31.9(16) . . . . ?
B5 B6 C10 B9 -36.3(15) . . . . ?
B5 B6 C10 N10 113(2) . . . . ?
B5 B6 C10 B11 -143.6(16) . . . . ?
B5 B6 C10 B12 -109(2) . . . . ?
B5 B6 B1 B2 143.6(15) . . . . ?
B5 B6 B1 B3 107.2(19) . . . . ?
B5 B6 B1 B4 37.3(14) . . . . ?
B5 B9 B10 B6 36.0(15) . . . . ?
B5 B9 B10 B11 108(2) . . . . ?
B5 B9 B10 B12 142.3(18) . . . . ?
B5 B9 B12 C7 61.6(15) . . . . ?
B5 B9 B12 B8 100.9(15) . . . . ?
B5 B9 B12 B10 -32.1(16) . . . . ?
B5 B9 B12 B11 -1.7(17) . . . . ?
B5 B9 B12 C10 -32.1(16) . . . . ?
B5 B9 C10 B6 36.0(15) . . . . ?
B5 B9 C10 N10 -110(3) . . . . ?
B5 B9 C10 B11 108(2) . . . . ?
B5 B9 C10 B12 142.3(18) . . . . ?
B5 B10 B11 C7 66.1(17) . . . . ?
B5 B10 B11 B2 5.1(18) . . . . ?
B5 B10 B11 B6 -36.5(14) . . . . ?
B5 B10 B11 B12 108.0(18) . . . . ?
B5 B10 B12 C7 -64.0(18) . . . . ?
B5 B10 B12 B8 -2(2) . . . . ?
B5 B10 B12 B9 38.3(17) . . . . ?
B5 B10 B12 B11 -107(2) . . . . ?
B6 C1 N1 O1 115(4) . . . . ?
B6 C1 B2 C7 -102.1(15) . . . . ?
B6 C1 B2 B3 -142.8(17) . . . . ?
B6 C1 B2 B11 -41.3(13) . . . . ?
B6 C1 B3 C7 -5(2) . . . . ?
B6 C1 B3 B2 35.9(15) . . . . ?
B6 C1 B3 B4 -107(2) . . . . ?
B6 C1 B3 B8 -66.4(18) . . . . ?
B6 C1 B4 B3 105.8(15) . . . . ?
B6 C1 B4 B5 -37.3(14) . . . . ?
B6 C1 B4 B8 65.7(17) . . . . ?
B6 C1 B4 B9 3.6(18) . . . . ?
B6 C1 B5 B4 142.2(16) . . . . ?
B6 C1 B5 B9 103.3(15) . . . . ?
B6 C1 B5 B10 43.4(13) . . . . ?
B6 B2 B3 C1 -32.7(15) . . . . ?
B6 B2 B3 C7 98.4(14) . . . . ?
B6 B2 B3 B4 0.4(17) . . . . ?
B6 B2 B3 B8 64.6(15) . . . . ?
B6 B2 B3 B1 -32.7(15) . . . . ?
B6 B2 B11 C7 -135.0(11) . . . . ?
B6 B2 B11 B10 -40.3(11) . . . . ?
B6 B2 B11 B12 -102.0(12) . . . . ?
B6 B2 B11 C10 -40.3(11) . . . . ?
B6 B2 B1 B3 142.8(17) . . . . ?
B6 B2 B1 B4 106(2) . . . . ?
B6 B2 B1 B5 35.7(14) . . . . ?
B6 B5 B9 B4 102.1(17) . . . . ?
B6 B5 B9 B8 62.8(18) . . . . ?
B6 B5 B9 B10 -31.1(15) . . . . ?
B6 B5 B9 B12 2(2) . . . . ?
B6 B5 B9 C10 -31.1(15) . . . . ?
B6 B5 B10 B9 144.8(16) . . . . ?
B6 B5 B10 B11 36.2(13) . . . . ?
B6 B5 B10 B12 107.0(19) . . . . ?
B6 B5 C10 B9 144.8(16) . . . . ?
B6 B5 C10 N10 -101(3) . . . . ?
B6 B5 C10 B11 36.2(13) . . . . ?
B6 B5 C10 B12 107.0(19) . . . . ?
B6 B5 B1 B2 -35.2(13) . . . . ?
B6 B5 B1 B3 -106.0(16) . . . . ?
B6 B5 B1 B4 -142.2(16) . . . . ?
B6 B10 B11 C7 102.6(13) . . . . ?
B6 B10 B11 B2 41.6(13) . . . . ?
B6 B10 B11 B12 144.5(16) . . . . ?
B6 B10 B12 C7 8(2) . . . . ?
B6 B10 B12 B8 70.1(18) . . . . ?
B6 B10 B12 B9 111(2) . . . . ?
B6 B10 B12 B11 -35.1(15) . . . . ?
B6 B11 B12 C7 -97.8(13) . . . . ?
B6 B11 B12 B8 -62.4(14) . . . . ?
B6 B11 B12 B9 1.1(16) . . . . ?
B6 B11 B12 B10 31.4(15) . . . . ?
B6 B11 B12 C10 31.4(15) . . . . ?
B6 B11 C10 B5 -36.5(14) . . . . ?
B6 B11 C10 B9 -110(2) . . . . ?
B6 B11 C10 N10 104(3) . . . . ?
B6 B11 C10 B12 -144.5(16) . . . . ?
B8 C7 C71 C72 -43.8(16) . . . . ?
B8 C7 C71 C76 135.8(12) . . . . ?
B8 C7 B2 C1 -3.6(16) . . . . ?
B8 C7 B2 B3 36.5(11) . . . . ?
B8 C7 B2 B6 -63.8(14) . . . . ?
B8 C7 B2 B11 -103.3(12) . . . . ?
B8 C7 B2 B1 -3.6(16) . . . . ?
B8 C7 B3 C1 -100.2(14) . . . . ?
B8 C7 B3 B2 -141.9(12) . . . . ?
B8 C7 B3 B4 -39.3(10) . . . . ?
B8 C7 B3 B1 -100.2(14) . . . . ?
B8 C7 B11 B2 105.8(12) . . . . ?
B8 C7 B11 B6 65.9(14) . . . . ?
B8 C7 B11 B10 6.3(17) . . . . ?
B8 C7 B11 B12 -36.4(11) . . . . ?
B8 C7 B11 C10 6.3(17) . . . . ?
B8 C7 B12 B9 38.9(10) . . . . ?
B8 C7 B12 B10 98.8(13) . . . . ?
B8 C7 B12 B11 141.2(12) . . . . ?
B8 C7 B12 C10 98.8(13) . . . . ?
B8 B3 B4 C1 -133.9(15) . . . . ?
B8 B3 B4 B5 -102.0(15) . . . . ?
B8 B3 B4 B9 -36.4(11) . . . . ?
B8 B3 B4 B1 -133.9(15) . . . . ?
B8 B3 B1 B2 -102.3(13) . . . . ?
B8 B3 B1 B4 40.5(13) . . . . ?
B8 B3 B1 B5 4.1(18) . . . . ?
B8 B3 B1 B6 -66.4(18) . . . . ?
B8 B4 B5 C1 -95.6(14) . . . . ?
B8 B4 B5 B6 -61(2) . . . . ?
B8 B4 B5 B9 39.0(12) . . . . ?
B8 B4 B5 B10 -1(2) . . . . ?
B8 B4 B5 C10 -1(2) . . . . ?
B8 B4 B5 B1 -95.6(14) . . . . ?
B8 B4 B9 B5 -136.4(13) . . . . ?
B8 B4 B9 B10 -97.8(13) . . . . ?
B8 B4 B9 B12 -37.4(10) . . . . ?
B8 B4 B9 C10 -97.8(13) . . . . ?
B8 B4 B1 B2 -3(2) . . . . ?
B8 B4 B1 B3 -40.1(13) . . . . ?
B8 B4 B1 B5 103.0(15) . . . . ?
B8 B4 B1 B6 65.7(17) . . . . ?
B8 B9 B10 B5 -102.7(16) . . . . ?
B8 B9 B10 B6 -66.6(17) . . . . ?
B8 B9 B10 B11 6(2) . . . . ?
B8 B9 B10 B12 39.7(13) . . . . ?
B8 B9 B12 C7 -39.2(10) . . . . ?
B8 B9 B12 B10 -133.0(17) . . . . ?
B8 B9 B12 B11 -102.5(13) . . . . ?
B8 B9 B12 C10 -133.0(17) . . . . ?
B8 B9 C10 B5 -102.7(16) . . . . ?
B8 B9 C10 B6 -66.6(17) . . . . ?
B8 B9 C10 N10 147(3) . . . . ?
B8 B9 C10 B11 6(2) . . . . ?
B8 B9 C10 B12 39.7(13) . . . . ?
B8 B12 C10 B5 -2(2) . . . . ?
B8 B12 C10 B6 70.1(18) . . . . ?
B8 B12 C10 B9 -40.4(13) . . . . ?
B8 B12 C10 N10 -155(2) . . . . ?
B8 B12 C10 B11 105.3(14) . . . . ?
B9 B4 B5 C1 -134.6(14) . . . . ?
B9 B4 B5 B6 -100.2(17) . . . . ?
B9 B4 B5 B10 -39.6(15) . . . . ?
B9 B4 B5 C10 -39.6(15) . . . . ?
B9 B4 B5 B1 -134.6(14) . . . . ?
B9 B4 B8 C7 100.8(12) . . . . ?
B9 B4 B8 B3 139.3(13) . . . . ?
B9 B4 B8 B12 39.4(12) . . . . ?
B9 B4 B1 B2 -66(2) . . . . ?
B9 B4 B1 B3 -102.2(14) . . . . ?
B9 B4 B1 B5 40.8(12) . . . . ?
B9 B4 B1 B6 3.6(18) . . . . ?
B9 B5 B6 C1 -96.3(17) . . . . ?
B9 B5 B6 B2 -64(2) . . . . ?
B9 B5 B6 B10 31.2(15) . . . . ?
B9 B5 B6 B11 -1(2) . . . . ?
B9 B5 B6 C10 31.2(15) . . . . ?
B9 B5 B6 B1 -96.3(17) . . . . ?
B9 B5 B10 B6 -144.8(16) . . . . ?
B9 B5 B10 B11 -108.6(17) . . . . ?
B9 B5 B10 B12 -37.9(16) . . . . ?
B9 B5 C10 B6 -144.8(16) . . . . ?
B9 B5 C10 N10 114(3) . . . . ?
B9 B5 C10 B11 -108.6(17) . . . . ?
B9 B5 C10 B12 -37.9(16) . . . . ?
B9 B5 B1 B2 68.2(16) . . . . ?
B9 B5 B1 B3 -2.7(18) . . . . ?
B9 B5 B1 B4 -38.8(12) . . . . ?
B9 B5 B1 B6 103.3(15) . . . . ?
B9 B8 B12 C7 135.7(12) . . . . ?
B9 B8 B12 B10 39.6(12) . . . . ?
B9 B8 B12 B11 100.5(13) . . . . ?
B9 B8 B12 C10 39.6(12) . . . . ?
B9 B10 B11 C7 -7(2) . . . . ?
B9 B10 B11 B2 -68(2) . . . . ?
B9 B10 B11 B6 -110(2) . . . . ?
B9 B10 B11 B12 34.4(16) . . . . ?
B9 B10 B12 C7 -102.3(13) . . . . ?
B9 B10 B12 B8 -40.4(13) . . . . ?
B9 B10 B12 B11 -145.7(18) . . . . ?
B9 B12 C10 B5 38.3(17) . . . . ?
B9 B12 C10 B6 111(2) . . . . ?
B9 B12 C10 N10 -114(3) . . . . ?
B9 B12 C10 B11 145.7(18) . . . . ?
B10 B5 B6 C1 -127.5(17) . . . . ?
B10 B5 B6 B2 -95.1(17) . . . . ?
B10 B5 B6 B11 -32.2(15) . . . . ?
B10 B5 B9 B4 133.2(17) . . . . ?
B10 B5 B9 B8 94.0(16) . . . . ?
B10 B5 B9 B12 32.8(15) . . . . ?
B10 B6 B11 C7 -92.7(15) . . . . ?
B10 B6 B11 B2 -132.1(16) . . . . ?
B10 B6 B11 B12 -31.9(14) . . . . ?
B10 B9 B12 C7 93.8(15) . . . . ?
B10 B9 B12 B8 133.0(16) . . . . ?
B10 B9 B12 B11 30.5(15) . . . . ?
B10 B11 B12 C7 -129.2(16) . . . . ?
B10 B11 B12 B8 -93.8(16) . . . . ?
B10 B11 B12 B9 -30.3(16) . . . . ?
O10 N10 C10 B5 -27(6) . . . . ?
O10 N10 C10 B6 -99(5) . . . . ?
O10 N10 C10 B9 49(6) . . . . ?
O10 N10 C10 B11 -167(4) . . . . ?
O10 N10 C10 B12 124(4) . . . . ?
B11 C7 C71 C72 172.7(12) . . . . ?
B11 C7 C71 C76 -7.7(17) . . . . ?
B11 C7 B2 C1 99.7(15) . . . . ?
B11 C7 B2 B3 139.8(12) . . . . ?
B11 C7 B2 B6 39.5(11) . . . . ?
B11 C7 B2 B1 99.7(15) . . . . ?
B11 C7 B3 C1 4.1(16) . . . . ?
B11 C7 B3 B2 -37.6(11) . . . . ?
B11 C7 B3 B4 65.0(13) . . . . ?
B11 C7 B3 B8 104.3(12) . . . . ?
B11 C7 B3 B1 4.1(16) . . . . ?
B11 C7 B8 B3 -104.0(12) . . . . ?
B11 C7 B8 B4 -65.3(15) . . . . ?
B11 C7 B8 B9 -3.4(16) . . . . ?
B11 C7 B8 B12 36.8(12) . . . . ?
B11 C7 B12 B8 -141.2(12) . . . . ?
B11 C7 B12 B9 -102.3(12) . . . . ?
B11 C7 B12 B10 -42.4(12) . . . . ?
B11 C7 B12 C10 -42.4(12) . . . . ?
B11 B2 B3 C1 -95.6(16) . . . . ?
B11 B2 B3 C7 35.5(10) . . . . ?
B11 B2 B3 B4 -62.5(15) . . . . ?
B11 B2 B3 B8 1.6(15) . . . . ?
B11 B2 B3 B1 -95.6(16) . . . . ?
B11 B2 B6 C1 132.2(14) . . . . ?
B11 B2 B6 B5 100.9(16) . . . . ?
B11 B2 B6 B10 40.7(14) . . . . ?
B11 B2 B6 C10 40.7(14) . . . . ?
B11 B2 B6 B1 132.2(14) . . . . ?
B11 B2 B1 B3 101.5(13) . . . . ?
B11 B2 B1 B4 65.1(19) . . . . ?
B11 B2 B1 B5 -5.6(16) . . . . ?
B11 B2 B1 B6 -41.3(13) . . . . ?
B11 B6 B10 B5 143.6(16) . . . . ?
B11 B6 B10 B9 107.3(16) . . . . ?
B11 B6 B10 B12 34.8(14) . . . . ?
B11 B6 C10 B5 143.6(16) . . . . ?
B11 B6 C10 B9 107.3(16) . . . . ?
B11 B6 C10 N10 -103(3) . . . . ?
B11 B6 C10 B12 34.8(14) . . . . ?
B11 B6 B1 B2 41.1(12) . . . . ?
B11 B6 B1 B3 5(2) . . . . ?
B11 B6 B1 B4 -65.2(16) . . . . ?
B11 B6 B1 B5 -102.5(15) . . . . ?
B11 B10 B12 C7 43.3(12) . . . . ?
B11 B10 B12 B8 105.3(14) . . . . ?
B11 B10 B12 B9 145.7(18) . . . . ?
B11 B12 C10 B5 -107(2) . . . . ?
B11 B12 C10 B6 -35.1(15) . . . . ?
B11 B12 C10 B9 -145.7(18) . . . . ?
B11 B12 C10 N10 100(3) . . . . ?
B12 C7 C71 C72 -114.7(13) . . . . ?
B12 C7 C71 C76 64.9(14) . . . . ?
B12 C7 B2 C1 63.7(15) . . . . ?
B12 C7 B2 B3 103.8(11) . . . . ?
B12 C7 B2 B6 3.5(14) . . . . ?
B12 C7 B2 B11 -36.0(11) . . . . ?
B12 C7 B2 B1 63.7(15) . . . . ?
B12 C7 B3 C1 -63.5(14) . . . . ?
B12 C7 B3 B2 -105.3(12) . . . . ?
B12 C7 B3 B4 -2.6(14) . . . . ?
B12 C7 B3 B8 36.6(11) . . . . ?
B12 C7 B3 B1 -63.5(14) . . . . ?
B12 C7 B8 B3 -140.8(12) . . . . ?
B12 C7 B8 B4 -102.1(13) . . . . ?
B12 C7 B8 B9 -40.2(11) . . . . ?
B12 C7 B11 B2 142.2(12) . . . . ?
B12 C7 B11 B6 102.3(13) . . . . ?
B12 C7 B11 B10 42.7(13) . . . . ?
B12 C7 B11 C10 42.7(13) . . . . ?
B12 B8 B9 B4 -136.9(12) . . . . ?
B12 B8 B9 B5 -98.4(13) . . . . ?
B12 B8 B9 B10 -39.7(13) . . . . ?
B12 B8 B9 C10 -39.7(13) . . . . ?
B12 B9 B10 B5 -142.3(18) . . . . ?
B12 B9 B10 B6 -106.3(18) . . . . ?
B12 B9 B10 B11 -34.0(16) . . . . ?
B12 B9 C10 B5 -142.3(18) . . . . ?
B12 B9 C10 B6 -106.3(18) . . . . ?
B12 B9 C10 N10 108(3) . . . . ?
B12 B9 C10 B11 -34.0(16) . . . . ?
B12 B10 B11 C7 -41.9(12) . . . . ?
B12 B10 B11 B2 -102.9(12) . . . . ?
B12 B10 B11 B6 -144.5(16) . . . . ?
B12 B11 C10 B5 108.0(18) . . . . ?
B12 B11 C10 B6 144.5(16) . . . . ?
B12 B11 C10 B9 34.4(16) . . . . ?
B12 B11 C10 N10 -111(3) . . . . ?
C10 B5 B6 B2 -95.1(17) . . . . ?
C10 B5 B6 B11 -32.2(15) . . . . ?
C10 B5 B6 B1 -127.5(17) . . . . ?
C10 B5 B9 B4 133.2(17) . . . . ?
C10 B5 B9 B8 94.0(16) . . . . ?
C10 B5 B9 B12 32.8(15) . . . . ?
C10 B5 B1 B2 8.2(18) . . . . ?
C10 B5 B1 B3 -62.6(17) . . . . ?
C10 B5 B1 B4 -98.8(15) . . . . ?
C10 B5 B1 B6 43.4(13) . . . . ?
C10 B6 B11 C7 -92.7(15) . . . . ?
C10 B6 B11 B2 -132.1(16) . . . . ?
C10 B6 B11 B12 -31.9(14) . . . . ?
C10 B6 B1 B2 100.9(13) . . . . ?
C10 B6 B1 B3 64.5(18) . . . . ?
C10 B6 B1 B4 -5.4(17) . . . . ?
C10 B6 B1 B5 -42.7(12) . . . . ?
C10 B9 B12 C7 93.8(15) . . . . ?
C10 B9 B12 B8 133.0(16) . . . . ?
C10 B9 B12 B11 30.5(15) . . . . ?
C10 B11 B12 C7 -129.2(16) . . . . ?
C10 B11 B12 B8 -93.8(16) . . . . ?
C10 B11 B12 B9 -30.3(16) . . . . ?
B1 B2 B3 C7 131.1(16) . . . . ?
B1 B2 B3 B4 33.1(15) . . . . ?
B1 B2 B3 B8 97.3(16) . . . . ?
B1 B2 B6 B5 -31.4(14) . . . . ?
B1 B2 B6 B11 -132.2(14) . . . . ?
B1 B2 B6 C10 -91.5(17) . . . . ?
B1 B2 B11 C7 -94.4(11) . . . . ?
B1 B2 B11 B6 40.6(11) . . . . ?
B1 B2 B11 B12 -61.4(13) . . . . ?
B1 B2 B11 C10 0.3(13) . . . . ?
B1 B3 B4 B5 31.9(14) . . . . ?
B1 B3 B4 B8 133.9(15) . . . . ?
B1 B3 B4 B9 97.5(15) . . . . ?
B1 B3 B8 C7 96.0(12) . . . . ?
B1 B3 B8 B4 -39.7(11) . . . . ?
B1 B3 B8 B9 -3.8(15) . . . . ?
B1 B3 B8 B12 61.7(14) . . . . ?
B1 B4 B5 B6 34.4(16) . . . . ?
B1 B4 B5 B9 134.6(14) . . . . ?
B1 B4 B5 C10 95.0(18) . . . . ?
B1 B4 B8 C7 0.9(18) . . . . ?
B1 B4 B8 B3 39.4(14) . . . . ?
B1 B4 B8 B9 -99.9(16) . . . . ?
B1 B4 B8 B12 -60.5(17) . . . . ?
B1 B4 B9 B5 -38.5(11) . . . . ?
B1 B4 B9 B8 97.9(12) . . . . ?
B1 B4 B9 B12 60.5(14) . . . . ?
B1 B4 B9 C10 0.1(16) . . . . ?
B1 B5 B6 B2 32.4(14) . . . . ?
B1 B5 B6 B11 95.3(15) . . . . ?
B1 B5 B6 C10 127.5(17) . . . . ?
B1 B5 B9 B4 39.3(13) . . . . ?
B1 B5 B9 B8 0.1(16) . . . . ?
B1 B5 B9 B12 -61.1(16) . . . . ?
B1 B5 B9 C10 -93.9(17) . . . . ?
B1 B5 C10 B6 -44.4(13) . . . . ?
B1 B5 C10 B9 100.4(15) . . . . ?
B1 B5 C10 N10 -145(3) . . . . ?
B1 B5 C10 B11 -8.2(19) . . . . ?
B1 B5 C10 B12 63(2) . . . . ?
B1 B6 B11 C7 -1.7(17) . . . . ?
B1 B6 B11 B2 -41.2(13) . . . . ?
B1 B6 B11 B12 59.1(17) . . . . ?
B1 B6 B11 C10 91.0(18) . . . . ?
B1 B6 C10 B5 42.1(12) . . . . ?
B1 B6 C10 B9 5.7(18) . . . . ?
B1 B6 C10 N10 155(2) . . . . ?
B1 B6 C10 B11 -101.6(13) . . . . ?
B1 B6 C10 B12 -66.8(18) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'

loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.641(10)
2 0.269(7)
3 0.090(7)

####################################################################### 
# 
# 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_4807f
_database_code_depnum_ccdc_archive 'CCDC 1440363'
_audit_update_record             
;
2015-12-03 deposited with the CCDC.
2016-01-12 downloaded from the CCDC.
;
_audit_creation_date             2015-10-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C4 H20 B20 N2 O2'
_chemical_formula_sum            'C4 H20 B20 N2 O2'
_chemical_formula_weight         344.42
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      tetragonal
_space_group_IT_number           86
_space_group_name_H-M_alt        'P 42/n'
_space_group_name_Hall           '-P 4bc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x+1/2, z+1/2'
'-x+1/2, -y+1/2, z'
'y+1/2, -x, z+1/2'
'-x, -y, -z'
'y, -x-1/2, -z-1/2'
'x-1/2, y-1/2, -z'
'-y-1/2, x, -z-1/2'

_cell_length_a                   16.3052(5)
_cell_length_b                   16.3052(5)
_cell_length_c                   6.9144(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1838.26(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9251
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      28.853
_cell_measurement_theta_min      2.498
_shelx_estimated_absorpt_T_max   0.994
_shelx_estimated_absorpt_T_min   0.980
_exptl_absorpt_coefficient_mu    0.064
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.6845
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.0586 before and 0.0532 after correction.
The Ratio of minimum to maximum transmission is 0.9177.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.244
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             696
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0433
_diffrn_reflns_av_unetI/netI     0.0218
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            37192
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         29.613
_diffrn_reflns_theta_min         1.249
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2457
_reflns_number_total             2593
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.326
_refine_diff_density_min         -0.213
_refine_diff_density_rms         0.045
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.145
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     177
_refine_ls_number_reflns         2593
_refine_ls_number_restraints     43
_refine_ls_R_factor_all          0.0470
_refine_ls_R_factor_gt           0.0438
_refine_ls_restrained_S_all      1.137
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0693P)²+0.1814P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1137
_refine_ls_wR_factor_ref         0.1160
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.4665(18) 0.5335(18)
2. Fixed Uiso
 At 1.2 times of:
  All B(H) groups
3. Uiso/Uaniso restraints and constraints
O73 \\sim O74 \\sim O75 \\sim O72: within 1.7A with sigma of 0.04 and sigma for
terminal atoms of 0.08
Uanis(O74) \\sim Ueq, Uanis(O75) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(O72) = Uanis(O73)
Uanis(O74) = Uanis(O75)
4. Others
 1*[Sof(O72)]+1*[Sof(O74)]+1*[Sof(O75)]+1*[Sof(O73)]=1 with esd of 0.001
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.54651(7) 0.50519(7) 0.00637(16) 0.0141(2) Uani 1 1 d . . . . .
B2 B 0.60341(8) 0.42448(9) 0.09156(19) 0.0192(3) Uani 1 1 d . . . . .
H2 H 0.5794(10) 0.3676(11) 0.124(3) 0.023 Uiso 1 1 d R . . . .
B3 B 0.60616(8) 0.45457(9) -0.15903(19) 0.0193(3) Uani 1 1 d . . . . .
H3 H 0.5839(12) 0.4092(11) -0.260(2) 0.023 Uiso 1 1 d R . . . .
B4 B 0.59628(9) 0.56226(9) -0.1705(2) 0.0198(3) Uani 1 1 d . . . . .
H4 H 0.5636(11) 0.5866(11) -0.286(3) 0.024 Uiso 1 1 d R . . . .
B5 B 0.58694(9) 0.59936(9) 0.0712(2) 0.0199(3) Uani 1 1 d . . . . .
H5 H 0.5474(10) 0.6456(11) 0.095(3) 0.024 Uiso 1 1 d R . . . .
B6 B 0.59132(8) 0.51449(9) 0.23312(19) 0.0190(3) Uani 1 1 d . . . . .
H6 H 0.5554(10) 0.5104(11) 0.353(2) 0.023 Uiso 1 1 d R . . . .
C7 C 0.69310(8) 0.43888(9) -0.02731(19) 0.0256(3) Uani 1 1 d . . . . .
B8 B 0.69427(9) 0.51640(11) -0.1938(2) 0.0253(3) Uani 1 1 d . . . . .
H8 H 0.7308(11) 0.5118(11) -0.323(3) 0.030 Uiso 1 1 d R . . . .
B9 B 0.68254(9) 0.60669(11) -0.0520(2) 0.0275(3) Uani 1 1 d . . . . .
H9 H 0.7087(12) 0.6680(12) -0.100(3) 0.033 Uiso 1 1 d R . . . .
B10 B 0.67934(9) 0.57751(10) 0.1977(2) 0.0247(3) Uani 1 1 d . . . . .
H10 H 0.7000(11) 0.6216(12) 0.309(3) 0.030 Uiso 1 1 d R . . . .
B11 B 0.68918(9) 0.46906(10) 0.2097(2) 0.0232(3) Uani 1 1 d . . . . .
H11 H 0.7235(10) 0.4332(11) 0.322(3) 0.028 Uiso 1 1 d R . . . .
B12 B 0.74545(9) 0.52574(11) 0.0337(2) 0.0268(3) Uani 1 1 d . . . . .
H12 H 0.8073(12) 0.5303(12) 0.039(3) 0.032 Uiso 1 1 d R . . . .
N71 N 0.73959(12) 0.36244(15) -0.0788(2) 0.0510(5) Uani 1 1 d . . . . .
O72 O 0.7290(5) 0.3287(6) -0.2020(18) 0.0531(9) Uani 0.194(6) 1 d . U P A -2
O73 O 0.79405(16) 0.34470(17) 0.0023(4) 0.0531(9) Uani 0.597(5) 1 d . U P A -1
O75 O 0.7193(10) 0.3108(10) -0.099(4) 0.060(4) Uani 0.120(7) 1 d . U P A -3
O74 O 0.7378(14) 0.3205(11) 0.033(4) 0.060(4) Uani 0.088(5) 1 d . U P A -4


_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
C1 C1 1.529(2) 5_665 ?
C1 B2 1.7145(18) . ?
C1 B3 1.7132(18) . ?
C1 B4 1.7380(18) . ?
C1 B5 1.7301(18) . ?
C1 B6 1.7364(17) . ?
B2 H2 1.032(17) . ?
B2 B3 1.8014(19) . ?
B2 B6 1.775(2) . ?
B2 C7 1.6939(19) . ?
B2 B11 1.775(2) . ?
B3 H3 1.080(18) . ?
B3 B4 1.765(2) . ?
B3 C7 1.7043(19) . ?
B3 B8 1.772(2) . ?
B4 H4 1.038(17) . ?
B4 B5 1.784(2) . ?
B4 B8 1.771(2) . ?
B4 B9 1.782(2) . ?
B5 H5 1.005(17) . ?
B5 B6 1.781(2) . ?
B5 B9 1.781(2) . ?
B5 B10 1.778(2) . ?
B6 H6 1.017(17) . ?
B6 B10 1.782(2) . ?
B6 B11 1.767(2) . ?
C7 B8 1.710(2) . ?
C7 B11 1.7125(19) . ?
C7 B12 1.706(2) . ?
C7 N71 1.502(2) . ?
B8 H8 1.075(17) . ?
B8 B9 1.779(3) . ?
B8 B12 1.787(2) . ?
B9 H9 1.136(19) . ?
B9 B10 1.792(2) . ?
B9 B12 1.773(2) . ?
B10 H10 1.106(19) . ?
B10 B11 1.778(2) . ?
B10 B12 1.778(2) . ?
B11 H11 1.121(18) . ?
B11 B12 1.783(2) . ?
B12 H12 1.013(19) . ?
N71 O72 1.028(10) . ?
N71 O73 1.089(3) . ?
N71 O75 0.916(16) . ?
N71 O74 1.03(2) . ?

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
C1 C1 B2 118.15(12) 5_665 . ?
C1 C1 B3 118.13(12) 5_665 . ?
C1 C1 B4 118.82(12) 5_665 . ?
C1 C1 B5 119.42(13) 5_665 . ?
C1 C1 B6 118.63(12) 5_665 . ?
B2 C1 B4 113.58(9) . . ?
B2 C1 B5 112.70(9) . . ?
B2 C1 B6 61.91(8) . . ?
B3 C1 B2 63.41(8) . . ?
B3 C1 B4 61.51(8) . . ?
B3 C1 B5 112.60(9) . . ?
B3 C1 B6 113.95(9) . . ?
B5 C1 B4 61.93(8) . . ?
B5 C1 B6 61.84(8) . . ?
B6 C1 B4 113.10(9) . . ?
C1 B2 H2 124.0(9) . . ?
C1 B2 B3 58.26(7) . . ?
C1 B2 B6 59.65(7) . . ?
C1 B2 B11 105.68(10) . . ?
B3 B2 H2 117.5(10) . . ?
B6 B2 H2 125.7(10) . . ?
B6 B2 B3 107.94(10) . . ?
B6 B2 B11 59.68(8) . . ?
C7 B2 C1 101.19(9) . . ?
C7 B2 H2 123.8(9) . . ?
C7 B2 B3 58.27(8) . . ?
C7 B2 B6 104.41(10) . . ?
C7 B2 B11 59.10(8) . . ?
B11 B2 H2 124.6(10) . . ?
B11 B2 B3 108.16(10) . . ?
C1 B3 B2 58.33(7) . . ?
C1 B3 H3 124.8(10) . . ?
C1 B3 B4 59.94(8) . . ?
C1 B3 B8 106.07(10) . . ?
B2 B3 H3 115.3(9) . . ?
B4 B3 B2 108.18(10) . . ?
B4 B3 H3 128.4(9) . . ?
B4 B3 B8 60.11(9) . . ?
C7 B3 C1 100.82(9) . . ?
C7 B3 B2 57.71(8) . . ?
C7 B3 H3 121.5(10) . . ?
C7 B3 B4 104.44(11) . . ?
C7 B3 B8 58.89(9) . . ?
B8 B3 B2 107.80(10) . . ?
B8 B3 H3 125.0(10) . . ?
C1 B4 B3 58.55(8) . . ?
C1 B4 H4 120.4(10) . . ?
C1 B4 B5 58.82(7) . . ?
C1 B4 B8 105.02(10) . . ?
C1 B4 B9 105.22(10) . . ?
B3 B4 H4 117.5(10) . . ?
B3 B4 B5 107.62(10) . . ?
B3 B4 B8 60.13(9) . . ?
B3 B4 B9 108.16(11) . . ?
B5 B4 H4 123.1(10) . . ?
B8 B4 H4 123.7(10) . . ?
B8 B4 B5 107.77(10) . . ?
B8 B4 B9 60.09(9) . . ?
B9 B4 H4 127.1(10) . . ?
B9 B4 B5 59.91(8) . . ?
C1 B5 B4 59.25(7) . . ?
C1 B5 H5 117.6(10) . . ?
C1 B5 B6 59.25(7) . . ?
C1 B5 B9 105.61(10) . . ?
C1 B5 B10 105.82(10) . . ?
B4 B5 H5 117.5(11) . . ?
B6 B5 B4 108.78(10) . . ?
B6 B5 H5 120.4(10) . . ?
B9 B5 B4 59.97(8) . . ?
B9 B5 H5 126.1(10) . . ?
B9 B5 B6 108.53(11) . . ?
B10 B5 B4 108.69(10) . . ?
B10 B5 H5 127.9(10) . . ?
B10 B5 B6 60.09(8) . . ?
B10 B5 B9 60.46(9) . . ?
C1 B6 B2 58.44(7) . . ?
C1 B6 B5 58.91(7) . . ?
C1 B6 H6 119.2(10) . . ?
C1 B6 B10 105.37(9) . . ?
C1 B6 B11 105.12(9) . . ?
B2 B6 B5 107.47(9) . . ?
B2 B6 H6 117.3(10) . . ?
B2 B6 B10 108.15(10) . . ?
B5 B6 H6 122.7(10) . . ?
B5 B6 B10 59.86(9) . . ?
B10 B6 H6 127.9(10) . . ?
B11 B6 B2 60.17(8) . . ?
B11 B6 B5 107.73(10) . . ?
B11 B6 H6 124.5(10) . . ?
B11 B6 B10 60.12(9) . . ?
B2 C7 B3 64.02(8) . . ?
B2 C7 B8 116.03(10) . . ?
B2 C7 B11 62.82(8) . . ?
B2 C7 B12 115.27(11) . . ?
B3 C7 B8 62.52(8) . . ?
B3 C7 B11 115.93(10) . . ?
B3 C7 B12 115.06(11) . . ?
B8 C7 B11 115.62(12) . . ?
B12 C7 B8 63.08(9) . . ?
B12 C7 B11 62.86(9) . . ?
N71 C7 B2 115.85(14) . . ?
N71 C7 B3 114.69(13) . . ?
N71 C7 B8 116.63(12) . . ?
N71 C7 B11 118.97(12) . . ?
N71 C7 B12 119.66(14) . . ?
B3 B8 H8 121.5(10) . . ?
B3 B8 B9 107.99(10) . . ?
B3 B8 B12 107.92(10) . . ?
B4 B8 B3 59.76(8) . . ?
B4 B8 H8 127.2(9) . . ?
B4 B8 B9 60.25(9) . . ?
B4 B8 B12 107.78(11) . . ?
C7 B8 B3 58.59(8) . . ?
C7 B8 B4 103.93(10) . . ?
C7 B8 H8 120.8(10) . . ?
C7 B8 B9 103.85(10) . . ?
C7 B8 B12 58.37(9) . . ?
B9 B8 H8 125.1(10) . . ?
B9 B8 B12 59.64(9) . . ?
B12 B8 H8 118.5(10) . . ?
B4 B9 H9 121.4(10) . . ?
B4 B9 B10 108.20(10) . . ?
B5 B9 B4 60.12(8) . . ?
B5 B9 H9 121.7(10) . . ?
B5 B9 B10 59.70(8) . . ?
B8 B9 B4 59.66(9) . . ?
B8 B9 B5 107.60(11) . . ?
B8 B9 H9 121.9(10) . . ?
B8 B9 B10 108.33(12) . . ?
B10 B9 H9 121.6(10) . . ?
B12 B9 B4 107.92(12) . . ?
B12 B9 B5 107.25(11) . . ?
B12 B9 B8 60.40(10) . . ?
B12 B9 H9 122.4(10) . . ?
B12 B9 B10 59.82(9) . . ?
B5 B10 B6 60.05(8) . . ?
B5 B10 B9 59.84(8) . . ?
B5 B10 H10 118.1(10) . . ?
B6 B10 B9 108.00(10) . . ?
B6 B10 H10 121.6(10) . . ?
B9 B10 H10 119.4(10) . . ?
B11 B10 B5 107.39(11) . . ?
B11 B10 B6 59.51(9) . . ?
B11 B10 B9 107.86(11) . . ?
B11 B10 H10 125.9(10) . . ?
B11 B10 B12 60.19(9) . . ?
B12 B10 B5 107.17(10) . . ?
B12 B10 B6 107.59(11) . . ?
B12 B10 B9 59.58(9) . . ?
B12 B10 H10 124.7(9) . . ?
B2 B11 B10 108.33(11) . . ?
B2 B11 H11 119.9(9) . . ?
B2 B11 B12 107.65(10) . . ?
B6 B11 B2 60.15(8) . . ?
B6 B11 B10 60.37(9) . . ?
B6 B11 H11 127.3(9) . . ?
B6 B11 B12 108.05(11) . . ?
C7 B11 B2 58.08(8) . . ?
C7 B11 B6 103.99(10) . . ?
C7 B11 B10 104.14(11) . . ?
C7 B11 H11 119.6(9) . . ?
C7 B11 B12 58.41(9) . . ?
B10 B11 H11 126.6(9) . . ?
B10 B11 B12 59.91(9) . . ?
B12 B11 H11 119.1(9) . . ?
C7 B12 B8 58.55(9) . . ?
C7 B12 B9 104.23(11) . . ?
C7 B12 B10 104.38(10) . . ?
C7 B12 B11 58.74(9) . . ?
C7 B12 H12 124.6(11) . . ?
B8 B12 H12 120.3(11) . . ?
B9 B12 B8 59.96(9) . . ?
B9 B12 B10 60.60(9) . . ?
B9 B12 B11 108.44(11) . . ?
B9 B12 H12 122.3(11) . . ?
B10 B12 B8 108.59(11) . . ?
B10 B12 B11 59.90(9) . . ?
B10 B12 H12 123.1(11) . . ?
B11 B12 B8 108.46(11) . . ?
B11 B12 H12 121.7(11) . . ?
O72 N71 C7 123.7(4) . . ?
O73 N71 C7 120.7(2) . . ?
O75 N71 C7 128.1(9) . . ?
O74 N71 C7 110.9(10) . . ?

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
C1 C1 B2 B3 109.28(14) 5_665 . . . ?
C1 C1 B2 B6 -109.30(14) 5_665 . . . ?
C1 C1 B2 C7 150.44(13) 5_665 . . . ?
C1 C1 B2 B11 -148.77(13) 5_665 . . . ?
C1 C1 B3 B2 -109.30(14) 5_665 . . . ?
C1 C1 B3 B4 109.37(15) 5_665 . . . ?
C1 C1 B3 C7 -150.10(13) 5_665 . . . ?
C1 C1 B3 B8 149.39(13) 5_665 . . . ?
C1 C1 B4 B3 -108.28(15) 5_665 . . . ?
C1 C1 B4 B5 110.00(15) 5_665 . . . ?
C1 C1 B4 B8 -148.06(14) 5_665 . . . ?
C1 C1 B4 B9 149.46(14) 5_665 . . . ?
C1 C1 B5 B4 -109.05(14) 5_665 . . . ?
C1 C1 B5 B6 108.79(14) 5_665 . . . ?
C1 C1 B5 B9 -148.63(13) 5_665 . . . ?
C1 C1 B5 B10 148.30(13) 5_665 . . . ?
C1 C1 B6 B2 108.53(15) 5_665 . . . ?
C1 C1 B6 B5 -110.03(15) 5_665 . . . ?
C1 C1 B6 B10 -149.33(14) 5_665 . . . ?
C1 C1 B6 B11 148.11(14) 5_665 . . . ?
C1 B2 B3 B4 34.70(9) . . . . ?
C1 B2 B3 C7 130.60(11) . . . . ?
C1 B2 B3 B8 98.25(11) . . . . ?
C1 B2 B6 B5 -34.03(9) . . . . ?
C1 B2 B6 B10 -97.24(10) . . . . ?
C1 B2 B6 B11 -134.84(10) . . . . ?
C1 B2 C7 B3 -41.16(9) . . . . ?
C1 B2 C7 B8 -5.18(14) . . . . ?
C1 B2 C7 B11 101.69(10) . . . . ?
C1 B2 C7 B12 65.75(12) . . . . ?
C1 B2 C7 N71 -147.44(12) . . . . ?
C1 B2 B11 B6 39.46(9) . . . . ?
C1 B2 B11 C7 -93.84(10) . . . . ?
C1 B2 B11 B10 1.71(13) . . . . ?
C1 B2 B11 B12 -61.62(13) . . . . ?
C1 B3 B4 B5 33.79(9) . . . . ?
C1 B3 B4 B8 134.55(10) . . . . ?
C1 B3 B4 B9 97.08(10) . . . . ?
C1 B3 C7 B2 41.14(9) . . . . ?
C1 B3 C7 B8 -102.35(11) . . . . ?
C1 B3 C7 B11 4.46(15) . . . . ?
C1 B3 C7 B12 -66.11(13) . . . . ?
C1 B3 C7 N71 149.18(13) . . . . ?
C1 B3 B8 B4 -39.93(9) . . . . ?
C1 B3 B8 C7 93.12(10) . . . . ?
C1 B3 B8 B9 -2.43(14) . . . . ?
C1 B3 B8 B12 60.61(13) . . . . ?
C1 B4 B5 B6 33.84(9) . . . . ?
C1 B4 B5 B9 134.86(11) . . . . ?
C1 B4 B5 B10 97.68(11) . . . . ?
C1 B4 B8 B3 39.01(9) . . . . ?
C1 B4 B8 C7 -0.98(13) . . . . ?
C1 B4 B8 B9 -99.16(11) . . . . ?
C1 B4 B8 B12 -61.78(13) . . . . ?
C1 B4 B9 B5 -38.94(10) . . . . ?
C1 B4 B9 B8 98.82(11) . . . . ?
C1 B4 B9 B10 -2.21(15) . . . . ?
C1 B4 B9 B12 61.06(13) . . . . ?
C1 B5 B6 B2 33.84(9) . . . . ?
C1 B5 B6 B10 135.08(10) . . . . ?
C1 B5 B6 B11 97.29(10) . . . . ?
C1 B5 B9 B4 39.23(9) . . . . ?
C1 B5 B9 B8 1.74(13) . . . . ?
C1 B5 B9 B10 -99.61(11) . . . . ?
C1 B5 B9 B12 -61.90(13) . . . . ?
C1 B5 B10 B6 -39.11(9) . . . . ?
C1 B5 B10 B9 99.26(11) . . . . ?
C1 B5 B10 B11 -1.68(13) . . . . ?
C1 B5 B10 B12 61.67(13) . . . . ?
C1 B6 B10 B5 38.84(9) . . . . ?
C1 B6 B10 B9 1.68(14) . . . . ?
C1 B6 B10 B11 -98.86(10) . . . . ?
C1 B6 B10 B12 -61.22(13) . . . . ?
C1 B6 B11 B2 -38.75(9) . . . . ?
C1 B6 B11 C7 0.79(13) . . . . ?
C1 B6 B11 B10 99.29(10) . . . . ?
C1 B6 B11 B12 61.67(12) . . . . ?
B2 C1 B3 B4 -141.32(10) . . . . ?
B2 C1 B3 C7 -40.80(9) . . . . ?
B2 C1 B3 B8 -101.31(11) . . . . ?
B2 C1 B4 B3 37.57(10) . . . . ?
B2 C1 B4 B5 -104.14(11) . . . . ?
B2 C1 B4 B8 -2.20(13) . . . . ?
B2 C1 B4 B9 -64.68(13) . . . . ?
B2 C1 B5 B4 105.57(10) . . . . ?
B2 C1 B5 B6 -36.59(9) . . . . ?
B2 C1 B5 B9 65.99(12) . . . . ?
B2 C1 B5 B10 2.92(13) . . . . ?
B2 C1 B6 B5 141.44(10) . . . . ?
B2 C1 B6 B10 102.14(10) . . . . ?
B2 C1 B6 B11 39.58(10) . . . . ?
B2 B3 B4 C1 -34.04(9) . . . . ?
B2 B3 B4 B5 -0.26(13) . . . . ?
B2 B3 B4 B8 100.51(11) . . . . ?
B2 B3 B4 B9 63.03(12) . . . . ?
B2 B3 C7 B8 -143.48(11) . . . . ?
B2 B3 C7 B11 -36.68(11) . . . . ?
B2 B3 C7 B12 -107.25(12) . . . . ?
B2 B3 C7 N71 108.05(15) . . . . ?
B2 B3 B8 B4 -101.15(11) . . . . ?
B2 B3 B8 C7 31.89(10) . . . . ?
B2 B3 B8 B9 -63.65(13) . . . . ?
B2 B3 B8 B12 -0.62(15) . . . . ?
B2 B6 B10 B5 100.08(10) . . . . ?
B2 B6 B10 B9 62.92(13) . . . . ?
B2 B6 B10 B11 -37.62(10) . . . . ?
B2 B6 B10 B12 0.02(13) . . . . ?
B2 B6 B11 C7 39.53(10) . . . . ?
B2 B6 B11 B10 138.04(10) . . . . ?
B2 B6 B11 B12 100.41(11) . . . . ?
B2 C7 B8 B3 -36.54(11) . . . . ?
B2 C7 B8 B4 4.04(15) . . . . ?
B2 C7 B8 B9 66.30(14) . . . . ?
B2 C7 B8 B12 106.55(13) . . . . ?
B2 C7 B11 B6 -40.58(10) . . . . ?
B2 C7 B11 B10 -103.01(11) . . . . ?
B2 C7 B11 B12 -143.38(11) . . . . ?
B2 C7 B12 B8 -107.73(12) . . . . ?
B2 C7 B12 B9 -67.24(13) . . . . ?
B2 C7 B12 B10 -4.49(14) . . . . ?
B2 C7 B12 B11 35.93(11) . . . . ?
B2 C7 N71 O72 85.5(10) . . . . ?
B2 C7 N71 O73 -104.6(3) . . . . ?
B2 C7 N71 O75 26(2) . . . . ?
B2 C7 N71 O74 -40.9(15) . . . . ?
B2 B11 B12 C7 -32.09(10) . . . . ?
B2 B11 B12 B8 0.12(15) . . . . ?
B2 B11 B12 B9 63.69(14) . . . . ?
B2 B11 B12 B10 101.36(12) . . . . ?
B3 C1 B2 B6 141.43(10) . . . . ?
B3 C1 B2 C7 41.17(9) . . . . ?
B3 C1 B2 B11 101.95(10) . . . . ?
B3 C1 B4 B5 -141.72(10) . . . . ?
B3 C1 B4 B8 -39.77(10) . . . . ?
B3 C1 B4 B9 -102.26(11) . . . . ?
B3 C1 B5 B4 36.15(10) . . . . ?
B3 C1 B5 B6 -106.02(10) . . . . ?
B3 C1 B5 B9 -3.44(13) . . . . ?
B3 C1 B5 B10 -66.50(12) . . . . ?
B3 C1 B6 B2 -37.60(10) . . . . ?
B3 C1 B6 B5 103.84(11) . . . . ?
B3 C1 B6 B10 64.54(13) . . . . ?
B3 C1 B6 B11 1.99(14) . . . . ?
B3 B2 B6 C1 33.87(8) . . . . ?
B3 B2 B6 B5 -0.16(12) . . . . ?
B3 B2 B6 B10 -63.37(12) . . . . ?
B3 B2 B6 B11 -100.96(11) . . . . ?
B3 B2 C7 B8 35.98(11) . . . . ?
B3 B2 C7 B11 142.85(11) . . . . ?
B3 B2 C7 B12 106.91(12) . . . . ?
B3 B2 C7 N71 -106.28(14) . . . . ?
B3 B2 B11 B6 100.59(11) . . . . ?
B3 B2 B11 C7 -32.72(10) . . . . ?
B3 B2 B11 B10 62.83(13) . . . . ?
B3 B2 B11 B12 -0.50(14) . . . . ?
B3 B4 B5 C1 -33.68(9) . . . . ?
B3 B4 B5 B6 0.16(13) . . . . ?
B3 B4 B5 B9 101.18(12) . . . . ?
B3 B4 B5 B10 64.00(13) . . . . ?
B3 B4 B8 C7 -39.99(10) . . . . ?
B3 B4 B8 B9 -138.17(11) . . . . ?
B3 B4 B8 B12 -100.79(12) . . . . ?
B3 B4 B9 B5 -100.26(11) . . . . ?
B3 B4 B9 B8 37.49(10) . . . . ?
B3 B4 B9 B10 -63.53(14) . . . . ?
B3 B4 B9 B12 -0.26(14) . . . . ?
B3 C7 B8 B4 40.58(9) . . . . ?
B3 C7 B8 B9 102.84(11) . . . . ?
B3 C7 B8 B12 143.09(11) . . . . ?
B3 C7 B11 B2 37.13(11) . . . . ?
B3 C7 B11 B6 -3.45(16) . . . . ?
B3 C7 B11 B10 -65.88(15) . . . . ?
B3 C7 B11 B12 -106.25(13) . . . . ?
B3 C7 B12 B8 -36.02(10) . . . . ?
B3 C7 B12 B9 4.46(14) . . . . ?
B3 C7 B12 B10 67.21(13) . . . . ?
B3 C7 B12 B11 107.63(12) . . . . ?
B3 C7 N71 O72 13.7(10) . . . . ?
B3 C7 N71 O73 -176.3(3) . . . . ?
B3 C7 N71 O75 -46(2) . . . . ?
B3 C7 N71 O74 -112.7(15) . . . . ?
B3 B8 B9 B4 -37.29(10) . . . . ?
B3 B8 B9 B5 0.42(14) . . . . ?
B3 B8 B9 B10 63.51(13) . . . . ?
B3 B8 B9 B12 100.64(12) . . . . ?
B3 B8 B12 C7 32.59(10) . . . . ?
B3 B8 B12 B9 -100.77(12) . . . . ?
B3 B8 B12 B10 -63.23(15) . . . . ?
B3 B8 B12 B11 0.31(16) . . . . ?
B4 C1 B2 B3 -36.82(10) . . . . ?
B4 C1 B2 B6 104.60(11) . . . . ?
B4 C1 B2 C7 4.34(13) . . . . ?
B4 C1 B2 B11 65.13(12) . . . . ?
B4 C1 B3 B2 141.32(10) . . . . ?
B4 C1 B3 C7 100.52(11) . . . . ?
B4 C1 B3 B8 40.01(9) . . . . ?
B4 C1 B5 B6 -142.16(10) . . . . ?
B4 C1 B5 B9 -39.58(10) . . . . ?
B4 C1 B5 B10 -102.65(11) . . . . ?
B4 C1 B6 B2 -105.39(11) . . . . ?
B4 C1 B6 B5 36.05(10) . . . . ?
B4 C1 B6 B10 -3.25(13) . . . . ?
B4 C1 B6 B11 -65.81(13) . . . . ?
B4 B3 C7 B2 102.62(10) . . . . ?
B4 B3 C7 B8 -40.86(10) . . . . ?
B4 B3 C7 B11 65.94(14) . . . . ?
B4 B3 C7 B12 -4.63(13) . . . . ?
B4 B3 C7 N71 -149.34(13) . . . . ?
B4 B3 B8 C7 133.05(11) . . . . ?
B4 B3 B8 B9 37.50(10) . . . . ?
B4 B3 B8 B12 100.54(12) . . . . ?
B4 B5 B6 C1 -33.84(9) . . . . ?
B4 B5 B6 B2 0.00(13) . . . . ?
B4 B5 B6 B10 101.24(11) . . . . ?
B4 B5 B6 B11 63.46(13) . . . . ?
B4 B5 B9 B8 -37.50(10) . . . . ?
B4 B5 B9 B10 -138.85(11) . . . . ?
B4 B5 B9 B12 -101.13(12) . . . . ?
B4 B5 B10 B6 -101.39(10) . . . . ?
B4 B5 B10 B9 36.97(10) . . . . ?
B4 B5 B10 B11 -63.97(13) . . . . ?
B4 B5 B10 B12 -0.61(14) . . . . ?
B4 B8 B9 B5 37.70(10) . . . . ?
B4 B8 B9 B10 100.80(11) . . . . ?
B4 B8 B9 B12 137.93(11) . . . . ?
B4 B8 B12 C7 95.71(11) . . . . ?
B4 B8 B12 B9 -37.65(11) . . . . ?
B4 B8 B12 B10 -0.11(15) . . . . ?
B4 B8 B12 B11 63.43(15) . . . . ?
B4 B9 B10 B5 -36.92(10) . . . . ?
B4 B9 B10 B6 0.33(16) . . . . ?
B4 B9 B10 B11 63.22(14) . . . . ?
B4 B9 B10 B12 100.57(13) . . . . ?
B4 B9 B12 C7 -2.36(14) . . . . ?
B4 B9 B12 B8 37.43(10) . . . . ?
B4 B9 B12 B10 -101.05(11) . . . . ?
B4 B9 B12 B11 -63.68(14) . . . . ?
B5 C1 B2 B3 -104.86(10) . . . . ?
B5 C1 B2 B6 36.56(9) . . . . ?
B5 C1 B2 C7 -63.70(11) . . . . ?
B5 C1 B2 B11 -2.92(12) . . . . ?
B5 C1 B3 B2 105.01(11) . . . . ?
B5 C1 B3 B4 -36.31(10) . . . . ?
B5 C1 B3 C7 64.21(12) . . . . ?
B5 C1 B3 B8 3.70(13) . . . . ?
B5 C1 B4 B3 141.72(10) . . . . ?
B5 C1 B4 B8 101.94(11) . . . . ?
B5 C1 B4 B9 39.46(10) . . . . ?
B5 C1 B6 B2 -141.44(10) . . . . ?
B5 C1 B6 B10 -39.30(10) . . . . ?
B5 C1 B6 B11 -101.85(11) . . . . ?
B5 B4 B8 B3 100.52(10) . . . . ?
B5 B4 B8 C7 60.53(13) . . . . ?
B5 B4 B8 B9 -37.65(10) . . . . ?
B5 B4 B8 B12 -0.27(14) . . . . ?
B5 B4 B9 B8 137.75(11) . . . . ?
B5 B4 B9 B10 36.73(10) . . . . ?
B5 B4 B9 B12 100.00(11) . . . . ?
B5 B6 B10 B9 -37.16(11) . . . . ?
B5 B6 B10 B11 -137.70(11) . . . . ?
B5 B6 B10 B12 -100.07(11) . . . . ?
B5 B6 B11 B2 -100.37(10) . . . . ?
B5 B6 B11 C7 -60.84(13) . . . . ?
B5 B6 B11 B10 37.67(10) . . . . ?
B5 B6 B11 B12 0.04(14) . . . . ?
B5 B9 B10 B6 37.25(10) . . . . ?
B5 B9 B10 B11 100.13(11) . . . . ?
B5 B9 B10 B12 137.48(11) . . . . ?
B5 B9 B12 C7 61.04(13) . . . . ?
B5 B9 B12 B8 100.82(11) . . . . ?
B5 B9 B12 B10 -37.66(10) . . . . ?
B5 B9 B12 B11 -0.29(15) . . . . ?
B5 B10 B11 B2 -0.01(14) . . . . ?
B5 B10 B11 B6 -37.66(10) . . . . ?
B5 B10 B11 C7 60.59(13) . . . . ?
B5 B10 B11 B12 100.20(11) . . . . ?
B5 B10 B12 C7 -60.74(13) . . . . ?
B5 B10 B12 B8 0.45(15) . . . . ?
B5 B10 B12 B9 37.71(10) . . . . ?
B5 B10 B12 B11 -100.57(11) . . . . ?
B6 C1 B2 B3 -141.43(10) . . . . ?
B6 C1 B2 C7 -100.26(10) . . . . ?
B6 C1 B2 B11 -39.48(9) . . . . ?
B6 C1 B3 B2 37.00(10) . . . . ?
B6 C1 B3 B4 -104.32(11) . . . . ?
B6 C1 B3 C7 -3.80(13) . . . . ?
B6 C1 B3 B8 -64.31(13) . . . . ?
B6 C1 B4 B3 105.71(10) . . . . ?
B6 C1 B4 B5 -36.01(10) . . . . ?
B6 C1 B4 B8 65.93(12) . . . . ?
B6 C1 B4 B9 3.45(14) . . . . ?
B6 C1 B5 B4 142.16(10) . . . . ?
B6 C1 B5 B9 102.58(11) . . . . ?
B6 C1 B5 B10 39.51(9) . . . . ?
B6 B2 B3 C1 -34.44(9) . . . . ?
B6 B2 B3 B4 0.26(12) . . . . ?
B6 B2 B3 C7 96.16(11) . . . . ?
B6 B2 B3 B8 63.81(12) . . . . ?
B6 B2 C7 B3 -102.42(10) . . . . ?
B6 B2 C7 B8 -66.44(13) . . . . ?
B6 B2 C7 B11 40.44(10) . . . . ?
B6 B2 C7 B12 4.49(13) . . . . ?
B6 B2 C7 N71 151.31(12) . . . . ?
B6 B2 B11 C7 -133.31(11) . . . . ?
B6 B2 B11 B10 -37.75(10) . . . . ?
B6 B2 B11 B12 -101.09(12) . . . . ?
B6 B5 B9 B4 101.45(11) . . . . ?
B6 B5 B9 B8 63.95(13) . . . . ?
B6 B5 B9 B10 -37.40(10) . . . . ?
B6 B5 B9 B12 0.31(14) . . . . ?
B6 B5 B10 B9 138.37(11) . . . . ?
B6 B5 B10 B11 37.43(10) . . . . ?
B6 B5 B10 B12 100.78(12) . . . . ?
B6 B10 B11 B2 37.66(9) . . . . ?
B6 B10 B11 C7 98.25(11) . . . . ?
B6 B10 B11 B12 137.87(10) . . . . ?
B6 B10 B12 C7 2.50(14) . . . . ?
B6 B10 B12 B8 63.69(14) . . . . ?
B6 B10 B12 B9 100.94(11) . . . . ?
B6 B10 B12 B11 -37.33(10) . . . . ?
B6 B11 B12 C7 -95.63(11) . . . . ?
B6 B11 B12 B8 -63.42(14) . . . . ?
B6 B11 B12 B9 0.16(14) . . . . ?
B6 B11 B12 B10 37.83(10) . . . . ?
C7 B2 B3 C1 -130.60(11) . . . . ?
C7 B2 B3 B4 -95.90(11) . . . . ?
C7 B2 B3 B8 -32.35(10) . . . . ?
C7 B2 B6 C1 94.69(10) . . . . ?
C7 B2 B6 B5 60.66(11) . . . . ?
C7 B2 B6 B10 -2.55(12) . . . . ?
C7 B2 B6 B11 -40.14(9) . . . . ?
C7 B2 B11 B6 133.31(11) . . . . ?
C7 B2 B11 B10 95.55(11) . . . . ?
C7 B2 B11 B12 32.22(10) . . . . ?
C7 B3 B4 C1 -94.30(9) . . . . ?
C7 B3 B4 B5 -60.51(12) . . . . ?
C7 B3 B4 B8 40.25(9) . . . . ?
C7 B3 B4 B9 2.77(13) . . . . ?
C7 B3 B8 B4 -133.05(11) . . . . ?
C7 B3 B8 B9 -95.54(11) . . . . ?
C7 B3 B8 B12 -32.51(10) . . . . ?
C7 B8 B9 B4 -98.32(11) . . . . ?
C7 B8 B9 B5 -60.62(13) . . . . ?
C7 B8 B9 B10 2.47(13) . . . . ?
C7 B8 B9 B12 39.61(10) . . . . ?
C7 B8 B12 B9 -133.36(11) . . . . ?
C7 B8 B12 B10 -95.83(12) . . . . ?
C7 B8 B12 B11 -32.28(11) . . . . ?
C7 B11 B12 B8 32.21(11) . . . . ?
C7 B11 B12 B9 95.78(12) . . . . ?
C7 B11 B12 B10 133.46(11) . . . . ?
B8 B3 B4 C1 -134.55(10) . . . . ?
B8 B3 B4 B5 -100.76(11) . . . . ?
B8 B3 B4 B9 -37.48(10) . . . . ?
B8 B3 C7 B2 143.48(11) . . . . ?
B8 B3 C7 B11 106.80(14) . . . . ?
B8 B3 C7 B12 36.24(11) . . . . ?
B8 B3 C7 N71 -108.47(15) . . . . ?
B8 B4 B5 C1 -97.13(11) . . . . ?
B8 B4 B5 B6 -63.29(13) . . . . ?
B8 B4 B5 B9 37.73(11) . . . . ?
B8 B4 B5 B10 0.55(14) . . . . ?
B8 B4 B9 B5 -137.75(11) . . . . ?
B8 B4 B9 B10 -101.02(13) . . . . ?
B8 B4 B9 B12 -37.75(11) . . . . ?
B8 C7 B11 B2 107.50(12) . . . . ?
B8 C7 B11 B6 66.93(14) . . . . ?
B8 C7 B11 B10 4.49(15) . . . . ?
B8 C7 B11 B12 -35.88(11) . . . . ?
B8 C7 B12 B9 40.49(10) . . . . ?
B8 C7 B12 B10 103.24(11) . . . . ?
B8 C7 B12 B11 143.65(11) . . . . ?
B8 C7 N71 O72 -56.6(10) . . . . ?
B8 C7 N71 O73 113.4(3) . . . . ?
B8 C7 N71 O75 -116(2) . . . . ?
B8 C7 N71 O74 177.1(15) . . . . ?
B8 B9 B10 B5 -100.10(11) . . . . ?
B8 B9 B10 B6 -62.85(13) . . . . ?
B8 B9 B10 B11 0.04(14) . . . . ?
B8 B9 B10 B12 37.39(10) . . . . ?
B8 B9 B12 C7 -39.78(9) . . . . ?
B8 B9 B12 B10 -138.48(11) . . . . ?
B8 B9 B12 B11 -101.11(12) . . . . ?
B9 B4 B5 C1 -134.86(11) . . . . ?
B9 B4 B5 B6 -101.02(12) . . . . ?
B9 B4 B5 B10 -37.18(11) . . . . ?
B9 B4 B8 B3 138.17(11) . . . . ?
B9 B4 B8 C7 98.18(11) . . . . ?
B9 B4 B8 B12 37.38(11) . . . . ?
B9 B5 B6 C1 -97.51(10) . . . . ?
B9 B5 B6 B2 -63.67(12) . . . . ?
B9 B5 B6 B10 37.56(10) . . . . ?
B9 B5 B6 B11 -0.22(14) . . . . ?
B9 B5 B10 B6 -138.37(11) . . . . ?
B9 B5 B10 B11 -100.94(12) . . . . ?
B9 B5 B10 B12 -37.59(11) . . . . ?
B9 B8 B12 C7 133.36(11) . . . . ?
B9 B8 B12 B10 37.54(11) . . . . ?
B9 B8 B12 B11 101.08(12) . . . . ?
B9 B10 B11 B2 -63.13(13) . . . . ?
B9 B10 B11 B6 -100.78(11) . . . . ?
B9 B10 B11 C7 -2.53(14) . . . . ?
B9 B10 B11 B12 37.08(10) . . . . ?
B9 B10 B12 C7 -98.44(11) . . . . ?
B9 B10 B12 B8 -37.26(11) . . . . ?
B9 B10 B12 B11 -138.28(11) . . . . ?
B10 B5 B6 C1 -135.08(10) . . . . ?
B10 B5 B6 B2 -101.24(11) . . . . ?
B10 B5 B6 B11 -37.78(10) . . . . ?
B10 B5 B9 B4 138.85(11) . . . . ?
B10 B5 B9 B8 101.35(12) . . . . ?
B10 B5 B9 B12 37.71(10) . . . . ?
B10 B6 B11 B2 -138.04(10) . . . . ?
B10 B6 B11 C7 -98.51(11) . . . . ?
B10 B6 B11 B12 -37.63(10) . . . . ?
B10 B9 B12 C7 98.70(11) . . . . ?
B10 B9 B12 B8 138.48(11) . . . . ?
B10 B9 B12 B11 37.37(10) . . . . ?
B10 B11 B12 C7 -133.46(11) . . . . ?
B10 B11 B12 B8 -101.24(12) . . . . ?
B10 B11 B12 B9 -37.67(11) . . . . ?
B11 B2 B3 C1 -97.56(10) . . . . ?
B11 B2 B3 B4 -62.86(12) . . . . ?
B11 B2 B3 C7 33.05(10) . . . . ?
B11 B2 B3 B8 0.69(14) . . . . ?
B11 B2 B6 C1 134.84(10) . . . . ?
B11 B2 B6 B5 100.81(11) . . . . ?
B11 B2 B6 B10 37.60(10) . . . . ?
B11 B2 C7 B3 -142.85(11) . . . . ?
B11 B2 C7 B8 -106.87(13) . . . . ?
B11 B2 C7 B12 -35.94(11) . . . . ?
B11 B2 C7 N71 110.87(13) . . . . ?
B11 B6 B10 B5 137.70(11) . . . . ?
B11 B6 B10 B9 100.54(12) . . . . ?
B11 B6 B10 B12 37.64(10) . . . . ?
B11 C7 B8 B3 -107.29(12) . . . . ?
B11 C7 B8 B4 -66.71(14) . . . . ?
B11 C7 B8 B9 -4.45(15) . . . . ?
B11 C7 B8 B12 35.80(11) . . . . ?
B11 C7 B12 B8 -143.65(11) . . . . ?
B11 C7 B12 B9 -103.17(11) . . . . ?
B11 C7 B12 B10 -40.42(10) . . . . ?
B11 C7 N71 O72 157.3(10) . . . . ?
B11 C7 N71 O73 -32.8(3) . . . . ?
B11 C7 N71 O75 98(2) . . . . ?
B11 C7 N71 O74 30.9(15) . . . . ?
B11 B10 B12 C7 39.83(10) . . . . ?
B11 B10 B12 B8 101.02(13) . . . . ?
B11 B10 B12 B9 138.28(11) . . . . ?
B12 C7 B8 B3 -143.09(11) . . . . ?
B12 C7 B8 B4 -102.51(11) . . . . ?
B12 C7 B8 B9 -40.25(10) . . . . ?
B12 C7 B11 B2 143.38(11) . . . . ?
B12 C7 B11 B6 102.81(12) . . . . ?
B12 C7 B11 B10 40.37(10) . . . . ?
B12 C7 N71 O72 -129.3(10) . . . . ?
B12 C7 N71 O73 40.7(3) . . . . ?
B12 C7 N71 O75 171(2) . . . . ?
B12 C7 N71 O74 104.4(15) . . . . ?
B12 B8 B9 B4 -137.93(11) . . . . ?
B12 B8 B9 B5 -100.23(12) . . . . ?
B12 B8 B9 B10 -37.14(10) . . . . ?
B12 B9 B10 B5 -137.48(11) . . . . ?
B12 B9 B10 B6 -100.24(12) . . . . ?
B12 B9 B10 B11 -37.35(11) . . . . ?
B12 B10 B11 B2 -100.21(11) . . . . ?
B12 B10 B11 B6 -137.87(10) . . . . ?
B12 B10 B11 C7 -39.62(10) . . . . ?
N71 C7 B8 B3 105.42(15) . . . . ?
N71 C7 B8 B4 146.00(14) . . . . ?
N71 C7 B8 B9 -151.74(14) . . . . ?
N71 C7 B8 B12 -111.49(15) . . . . ?
N71 C7 B11 B2 -106.02(17) . . . . ?
N71 C7 B11 B6 -146.59(15) . . . . ?
N71 C7 B11 B10 150.97(15) . . . . ?
N71 C7 B11 B12 110.60(17) . . . . ?
N71 C7 B12 B8 106.81(14) . . . . ?
N71 C7 B12 B9 147.30(13) . . . . ?
N71 C7 B12 B10 -149.95(13) . . . . ?
N71 C7 B12 B11 -109.54(14) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'

loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.4665(18)
2 0.5335(18)

####################################################################### 
# 
# 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_5166
_database_code_depnum_ccdc_archive 'CCDC 1440364'
_audit_update_record             
;
2015-12-03 deposited with the CCDC.
2016-01-12 downloaded from the CCDC.
;
_audit_creation_date             2015-10-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C4 H23 B20 N O'
_chemical_formula_sum            'C4 H23 B20 N O'
_chemical_formula_weight         317.43
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   7.2022(8)
_cell_length_b                   9.5053(10)
_cell_length_c                   12.9926(15)
_cell_angle_alpha                90
_cell_angle_beta                 97.350(7)
_cell_angle_gamma                90
_cell_volume                     882.15(17)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3079
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      28.780
_cell_measurement_theta_min      2.663
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.055
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.7069
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0705 before and 0.0551 after correction.
The Ratio of minimum to maximum transmission is 0.9477.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.195
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             324
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.36
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_av_unetI/netI     0.0370
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17862
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         29.669
_diffrn_reflns_theta_min         3.079
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2063
_reflns_number_total             2481
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.242
_refine_diff_density_min         -0.191
_refine_diff_density_rms         0.044
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     166
_refine_ls_number_reflns         2481
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0664
_refine_ls_R_factor_gt           0.0532
_refine_ls_restrained_S_all      1.107
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0543P)²+0.3238P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1271
_refine_ls_wR_factor_ref         0.1330
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All N(H) groups, All O(H) groups
2. Shared sites
{C2, B2}
{B6, C6}
3. Restrained distances
 B2-H2
 1.1 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
Uanis(B6) = Uanis(C6)
Uanis(C2) = Uanis(B2)
5. Others
 Fixed Sof: C2(0.5) B6(0.5) N21(0.5) H21(0.5) O22(0.5) H22(0.5) B2(0.5)
 H2(0.5) C6(0.5)
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.01389(16) 0.54816(12) 0.45439(9) 0.0138(2) Uani 1 1 d . . . . .
C2 C -0.14187(19) 0.69083(15) 0.42650(12) 0.0216(3) Uani 0.5 1 d . . P A -1
B3 B 0.09010(19) 0.71907(15) 0.47775(11) 0.0162(3) Uani 1 1 d . . . . .
H3 H 0.121(2) 0.7499(16) 0.5549(12) 0.019 Uiso 1 1 d R . . . .
B4 B 0.22963(19) 0.59120(15) 0.42329(11) 0.0159(3) Uani 1 1 d . . . . .
H4 H 0.353(2) 0.5469(16) 0.4693(11) 0.019 Uiso 1 1 d R . . . .
B5 B 0.07590(19) 0.47878(15) 0.34211(11) 0.0162(3) Uani 1 1 d . . . . .
H5 H 0.094(2) 0.3698(17) 0.3395(11) 0.019 Uiso 1 1 d R . . . .
B6 B -0.15156(19) 0.54268(14) 0.34912(11) 0.0183(3) Uani 0.5 1 d . . P A .
H6 H -0.264(2) 0.4719(17) 0.3561(11) 0.022 Uiso 1 1 d R . . . .
B7 B -0.0233(2) 0.82467(15) 0.37483(12) 0.0206(3) Uani 1 1 d . . . . .
H7 H -0.060(2) 0.9289(18) 0.3931(12) 0.025 Uiso 1 1 d R . . . .
B8 B 0.2086(2) 0.76391(15) 0.37118(12) 0.0184(3) Uani 1 1 d . . . . .
H8 H 0.332(2) 0.8333(17) 0.3833(12) 0.022 Uiso 1 1 d R . . . .
B9 B 0.1992(2) 0.61462(15) 0.28700(12) 0.0183(3) Uani 1 1 d . . . . .
H9 H 0.316(2) 0.5883(17) 0.2428(12) 0.022 Uiso 1 1 d R . . . .
B10 B -0.0417(2) 0.58192(15) 0.24032(11) 0.0184(3) Uani 1 1 d . . . . .
H10 H -0.094(2) 0.5324(17) 0.1650(12) 0.022 Uiso 1 1 d R . . . .
B11 B -0.1770(2) 0.71166(16) 0.29442(12) 0.0209(3) Uani 1 1 d . . . . .
H11 H -0.318(2) 0.7417(17) 0.2628(13) 0.025 Uiso 1 1 d R . . . .
N21 N -0.2846(3) 0.7179(2) 0.4802(2) 0.0158(5) Uani 0.5 1 d . . P A -1
H21 H -0.396(5) 0.725(3) 0.441(2) 0.019 Uiso 0.5 1 d R . P B -1
B12 B 0.0426(2) 0.75797(16) 0.25678(12) 0.0207(3) Uani 1 1 d . . . . .
H12 H 0.050(2) 0.8307(17) 0.1881(12) 0.025 Uiso 1 1 d R . . . .
O22 O -0.2663(3) 0.8523(2) 0.52940(15) 0.0226(4) Uani 0.5 1 d . . P A -1
H22 H -0.273(5) 0.824(4) 0.598(3) 0.027 Uiso 0.5 1 d R . P C -1
B2 B -0.14187(19) 0.69083(15) 0.42650(12) 0.0216(3) Uani 0.5 1 d D . P A -2
H2 H -0.250(5) 0.687(5) 0.480(3) 0.026 Uiso 0.5 1 d DR . P D -2
C6 C -0.15156(19) 0.54268(14) 0.34912(11) 0.0183(3) Uani 0.5 1 d . . P A .


_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
C1 C1 1.531(2) 3_566 ?
C1 C2 1.7677(18) . ?
C1 B3 1.7292(18) . ?
C1 B4 1.7046(18) . ?
C1 B5 1.7114(18) . ?
C1 B6 1.6960(18) . ?
C1 B2 1.7677(18) . ?
C2 B3 1.738(2) . ?
C2 B6 1.7264(19) . ?
C2 B7 1.716(2) . ?
C2 B11 1.714(2) . ?
C2 N21 1.339(3) . ?
B3 H3 1.041(15) . ?
B3 B4 1.780(2) . ?
B3 B7 1.784(2) . ?
B3 B8 1.769(2) . ?
B3 B2 1.738(2) . ?
B4 H4 1.090(15) . ?
B4 B5 1.784(2) . ?
B4 B8 1.775(2) . ?
B4 B9 1.770(2) . ?
B5 H5 1.045(16) . ?
B5 B6 1.760(2) . ?
B5 B9 1.770(2) . ?
B5 B10 1.772(2) . ?
B6 H6 1.065(16) . ?
B6 B10 1.746(2) . ?
B6 B11 1.756(2) . ?
B6 B2 1.7264(19) . ?
B7 H7 1.060(17) . ?
B7 B8 1.774(2) . ?
B7 B11 1.782(2) . ?
B7 B12 1.779(2) . ?
B7 B2 1.716(2) . ?
B8 H8 1.100(16) . ?
B8 B9 1.788(2) . ?
B8 B12 1.785(2) . ?
B9 H9 1.105(15) . ?
B9 B10 1.790(2) . ?
B9 B12 1.780(2) . ?
B10 H10 1.107(15) . ?
B10 B11 1.772(2) . ?
B10 B12 1.784(2) . ?
B11 H11 1.086(17) . ?
B11 B12 1.770(2) . ?
B11 B2 1.714(2) . ?
N21 H21 0.90(3) . ?
N21 O22 1.427(3) . ?
B12 H12 1.136(16) . ?
O22 H22 0.94(3) . ?
B2 H2 1.104(19) . ?

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
C1 C1 C2 118.36(12) 3_566 . ?
C1 C1 B3 119.73(12) 3_566 . ?
C1 C1 B4 122.71(12) 3_566 . ?
C1 C1 B5 120.25(12) 3_566 . ?
C1 C1 B6 117.26(12) 3_566 . ?
C1 C1 B2 118.36(12) 3_566 . ?
B3 C1 C2 59.61(7) . . ?
B3 C1 B2 59.61(7) . . ?
B4 C1 C2 109.95(9) . . ?
B4 C1 B3 62.46(8) . . ?
B4 C1 B5 62.95(8) . . ?
B4 C1 B2 109.95(9) . . ?
B5 C1 C2 110.42(9) . . ?
B5 C1 B3 113.58(9) . . ?
B5 C1 B2 110.42(9) . . ?
B6 C1 C2 59.75(8) . . ?
B6 C1 B3 110.18(9) . . ?
B6 C1 B4 112.58(9) . . ?
B6 C1 B5 62.21(8) . . ?
B6 C1 B2 59.75(8) . . ?
B3 C2 C1 59.09(7) . . ?
B6 C2 C1 58.06(7) . . ?
B6 C2 B3 108.32(10) . . ?
B7 C2 C1 108.32(10) . . ?
B7 C2 B3 62.19(8) . . ?
B7 C2 B6 111.22(11) . . ?
B11 C2 C1 107.60(10) . . ?
B11 C2 B3 112.16(11) . . ?
B11 C2 B6 61.40(8) . . ?
B11 C2 B7 62.59(9) . . ?
N21 C2 C1 123.36(15) . . ?
N21 C2 B3 122.33(16) . . ?
N21 C2 B6 118.93(15) . . ?
N21 C2 B7 120.99(14) . . ?
N21 C2 B11 118.35(15) . . ?
C1 B3 C2 61.30(8) . . ?
C1 B3 H3 117.2(9) . . ?
C1 B3 B4 58.09(7) . . ?
C1 B3 B7 107.00(9) . . ?
C1 B3 B8 105.25(10) . . ?
C1 B3 B2 61.30(8) . . ?
C2 B3 H3 119.2(9) . . ?
C2 B3 B4 107.82(10) . . ?
C2 B3 B7 58.29(8) . . ?
C2 B3 B8 105.89(11) . . ?
B4 B3 H3 120.9(9) . . ?
B4 B3 B7 108.28(10) . . ?
B7 B3 H3 125.7(9) . . ?
B8 B3 H3 128.5(9) . . ?
B8 B3 B4 60.00(8) . . ?
B8 B3 B7 59.89(8) . . ?
B2 B3 H3 119.2(9) . . ?
B2 B3 B4 107.82(10) . . ?
B2 B3 B7 58.29(8) . . ?
B2 B3 B8 105.89(11) . . ?
C1 B4 B3 59.45(7) . . ?
C1 B4 H4 118.8(8) . . ?
C1 B4 B5 58.71(7) . . ?
C1 B4 B8 106.06(10) . . ?
C1 B4 B9 105.50(9) . . ?
B3 B4 H4 120.5(8) . . ?
B3 B4 B5 107.74(10) . . ?
B5 B4 H4 119.6(8) . . ?
B8 B4 B3 59.69(8) . . ?
B8 B4 H4 126.2(8) . . ?
B8 B4 B5 108.20(10) . . ?
B9 B4 B3 107.92(10) . . ?
B9 B4 H4 125.8(8) . . ?
B9 B4 B5 59.72(8) . . ?
B9 B4 B8 60.56(8) . . ?
C1 B5 B4 58.33(7) . . ?
C1 B5 H5 117.2(8) . . ?
C1 B5 B6 58.46(8) . . ?
C1 B5 B9 105.25(10) . . ?
C1 B5 B10 105.72(10) . . ?
B4 B5 H5 122.8(8) . . ?
B6 B5 B4 105.91(10) . . ?
B6 B5 H5 117.7(8) . . ?
B6 B5 B9 106.72(10) . . ?
B6 B5 B10 59.25(8) . . ?
B9 B5 B4 59.77(8) . . ?
B9 B5 H5 129.6(8) . . ?
B9 B5 B10 60.73(8) . . ?
B10 B5 B4 108.12(10) . . ?
B10 B5 H5 125.0(8) . . ?
C1 B6 C2 62.19(8) . . ?
C1 B6 B5 59.32(8) . . ?
C1 B6 H6 114.5(8) . . ?
C1 B6 B10 107.57(10) . . ?
C1 B6 B11 108.93(10) . . ?
C1 B6 B2 62.19(8) . . ?
C2 B6 B5 110.06(10) . . ?
C2 B6 H6 116.1(8) . . ?
C2 B6 B10 107.96(10) . . ?
C2 B6 B11 58.95(8) . . ?
B5 B6 H6 120.6(9) . . ?
B10 B6 B5 60.71(8) . . ?
B10 B6 H6 129.1(8) . . ?
B10 B6 B11 60.77(8) . . ?
B11 B6 B5 110.13(10) . . ?
B11 B6 H6 124.8(9) . . ?
B2 B6 B5 110.06(10) . . ?
B2 B6 H6 116.1(8) . . ?
B2 B6 B10 107.96(10) . . ?
B2 B6 B11 58.95(8) . . ?
C2 B7 B3 59.52(8) . . ?
C2 B7 H7 117.0(9) . . ?
C2 B7 B8 106.65(10) . . ?
C2 B7 B11 58.64(9) . . ?
C2 B7 B12 105.91(10) . . ?
B3 B7 H7 117.5(8) . . ?
B8 B7 B3 59.64(8) . . ?
B8 B7 H7 125.0(9) . . ?
B8 B7 B11 107.73(10) . . ?
B8 B7 B12 60.32(9) . . ?
B11 B7 B3 106.90(10) . . ?
B11 B7 H7 122.7(9) . . ?
B12 B7 B3 107.37(10) . . ?
B12 B7 H7 128.9(9) . . ?
B12 B7 B11 59.61(9) . . ?
B2 B7 B3 59.52(8) . . ?
B2 B7 H7 117.0(9) . . ?
B2 B7 B8 106.65(10) . . ?
B2 B7 B11 58.64(9) . . ?
B2 B7 B12 105.91(10) . . ?
B3 B8 B4 60.31(8) . . ?
B3 B8 B7 60.47(8) . . ?
B3 B8 H8 119.5(8) . . ?
B3 B8 B9 107.65(10) . . ?
B3 B8 B12 107.77(10) . . ?
B4 B8 H8 118.2(8) . . ?
B4 B8 B9 59.59(8) . . ?
B4 B8 B12 107.68(10) . . ?
B7 B8 B4 108.99(10) . . ?
B7 B8 H8 123.1(8) . . ?
B7 B8 B9 108.21(10) . . ?
B7 B8 B12 59.99(9) . . ?
B9 B8 H8 122.0(8) . . ?
B12 B8 H8 125.5(8) . . ?
B12 B8 B9 59.77(8) . . ?
B4 B9 B8 59.84(8) . . ?
B4 B9 H9 119.1(8) . . ?
B4 B9 B10 107.92(10) . . ?
B4 B9 B12 108.10(10) . . ?
B5 B9 B4 60.52(8) . . ?
B5 B9 B8 108.27(10) . . ?
B5 B9 H9 120.0(8) . . ?
B5 B9 B10 59.71(8) . . ?
B5 B9 B12 108.14(10) . . ?
B8 B9 H9 121.7(8) . . ?
B8 B9 B10 107.72(10) . . ?
B10 B9 H9 123.6(8) . . ?
B12 B9 B8 60.05(9) . . ?
B12 B9 H9 124.1(8) . . ?
B12 B9 B10 59.94(8) . . ?
B5 B10 B9 59.56(8) . . ?
B5 B10 H10 119.9(8) . . ?
B5 B10 B12 107.86(10) . . ?
B6 B10 B5 60.04(8) . . ?
B6 B10 B9 106.42(10) . . ?
B6 B10 H10 119.2(8) . . ?
B6 B10 B11 59.89(8) . . ?
B6 B10 B12 106.61(10) . . ?
B9 B10 H10 125.2(8) . . ?
B11 B10 B5 108.88(10) . . ?
B11 B10 B9 107.64(10) . . ?
B11 B10 H10 120.4(8) . . ?
B11 B10 B12 59.71(9) . . ?
B12 B10 B9 59.75(8) . . ?
B12 B10 H10 125.2(8) . . ?
C2 B11 B6 59.65(8) . . ?
C2 B11 B7 58.77(9) . . ?
C2 B11 B10 107.37(10) . . ?
C2 B11 H11 114.9(9) . . ?
C2 B11 B12 106.43(11) . . ?
B6 B11 B7 106.81(10) . . ?
B6 B11 B10 59.33(8) . . ?
B6 B11 H11 115.9(9) . . ?
B6 B11 B12 106.78(10) . . ?
B7 B11 H11 123.0(9) . . ?
B10 B11 B7 108.68(10) . . ?
B10 B11 H11 124.7(9) . . ?
B12 B11 B7 60.13(9) . . ?
B12 B11 B10 60.48(9) . . ?
B12 B11 H11 131.1(9) . . ?
B2 B11 B6 59.65(8) . . ?
B2 B11 B7 58.77(9) . . ?
B2 B11 B10 107.37(10) . . ?
B2 B11 H11 114.9(9) . . ?
B2 B11 B12 106.43(11) . . ?
C2 N21 H21 114(2) . . ?
C2 N21 O22 111.9(2) . . ?
O22 N21 H21 102(2) . . ?
B7 B12 B8 59.69(9) . . ?
B7 B12 B9 108.30(11) . . ?
B7 B12 B10 108.25(11) . . ?
B7 B12 H12 120.4(8) . . ?
B8 B12 H12 122.7(8) . . ?
B9 B12 B8 60.18(8) . . ?
B9 B12 B10 60.31(8) . . ?
B9 B12 H12 123.0(8) . . ?
B10 B12 B8 108.12(10) . . ?
B10 B12 H12 121.8(8) . . ?
B11 B12 B7 60.26(9) . . ?
B11 B12 B8 107.75(11) . . ?
B11 B12 B9 108.17(10) . . ?
B11 B12 B10 59.81(8) . . ?
B11 B12 H12 120.3(8) . . ?
N21 O22 H22 99(2) . . ?
C1 B2 H2 109(2) . . ?
B3 B2 C1 59.09(7) . . ?
B3 B2 H2 119(3) . . ?
B6 B2 C1 58.06(7) . . ?
B6 B2 B3 108.32(10) . . ?
B6 B2 H2 111(2) . . ?
B7 B2 C1 108.32(10) . . ?
B7 B2 B3 62.19(8) . . ?
B7 B2 B6 111.22(11) . . ?
B7 B2 H2 134(2) . . ?
B11 B2 C1 107.60(10) . . ?
B11 B2 B3 112.16(11) . . ?
B11 B2 B6 61.40(8) . . ?
B11 B2 B7 62.59(9) . . ?
B11 B2 H2 127(2) . . ?

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
C1 C1 C2 B3 109.67(14) 3_566 . . . ?
C1 C1 C2 B6 -106.73(14) 3_566 . . . ?
C1 C1 C2 B7 149.22(13) 3_566 . . . ?
C1 C1 C2 B11 -144.58(13) 3_566 . . . ?
C1 C1 C2 N21 -0.9(2) 3_566 . . . ?
C1 C1 B3 C2 -107.41(15) 3_566 . . . ?
C1 C1 B3 B4 113.83(15) 3_566 . . . ?
C1 C1 B3 B7 -144.86(13) 3_566 . . . ?
C1 C1 B3 B8 152.55(13) 3_566 . . . ?
C1 C1 B3 B2 -107.41(15) 3_566 . . . ?
C1 C1 B4 B3 -109.25(15) 3_566 . . . ?
C1 C1 B4 B5 110.14(15) 3_566 . . . ?
C1 C1 B4 B8 -148.01(14) 3_566 . . . ?
C1 C1 B4 B9 148.79(13) 3_566 . . . ?
C1 C1 B5 B4 -113.87(15) 3_566 . . . ?
C1 C1 B5 B6 106.99(15) 3_566 . . . ?
C1 C1 B5 B9 -152.49(13) 3_566 . . . ?
C1 C1 B5 B10 144.24(13) 3_566 . . . ?
C1 C1 B6 C2 108.55(14) 3_566 . . . ?
C1 C1 B6 B5 -111.65(14) 3_566 . . . ?
C1 C1 B6 B10 -149.98(13) 3_566 . . . ?
C1 C1 B6 B11 145.66(13) 3_566 . . . ?
C1 C1 B6 B2 108.55(14) 3_566 . . . ?
C1 C1 B2 B3 109.67(14) 3_566 . . . ?
C1 C1 B2 B6 -106.73(14) 3_566 . . . ?
C1 C1 B2 B7 149.22(13) 3_566 . . . ?
C1 C1 B2 B11 -144.58(13) 3_566 . . . ?
C1 C2 B3 B4 36.01(9) . . . . ?
C1 C2 B3 B7 136.89(11) . . . . ?
C1 C2 B3 B8 98.97(10) . . . . ?
C1 C2 B6 B5 -36.23(9) . . . . ?
C1 C2 B6 B10 -100.82(10) . . . . ?
C1 C2 B6 B11 -138.22(10) . . . . ?
C1 C2 B7 B3 -38.15(9) . . . . ?
C1 C2 B7 B8 -0.17(14) . . . . ?
C1 C2 B7 B11 100.78(11) . . . . ?
C1 C2 B7 B12 62.95(12) . . . . ?
C1 C2 B11 B6 36.38(9) . . . . ?
C1 C2 B11 B7 -101.95(11) . . . . ?
C1 C2 B11 B10 -0.25(14) . . . . ?
C1 C2 B11 B12 -63.76(12) . . . . ?
C1 C2 N21 O22 118.55(18) . . . . ?
C1 B3 B4 B5 34.71(9) . . . . ?
C1 B3 B4 B8 135.83(10) . . . . ?
C1 B3 B4 B9 97.77(10) . . . . ?
C1 B3 B7 C2 38.82(9) . . . . ?
C1 B3 B7 B8 -98.09(11) . . . . ?
C1 B3 B7 B11 2.92(13) . . . . ?
C1 B3 B7 B12 -59.76(12) . . . . ?
C1 B3 B7 B2 38.82(9) . . . . ?
C1 B3 B8 B4 -37.82(9) . . . . ?
C1 B3 B8 B7 101.08(10) . . . . ?
C1 B3 B8 B9 -0.26(13) . . . . ?
C1 B3 B8 B12 62.81(12) . . . . ?
C1 B3 B2 B6 -32.04(9) . . . . ?
C1 B3 B2 B7 -136.89(11) . . . . ?
C1 B3 B2 B11 -97.86(11) . . . . ?
C1 B4 B5 B6 35.43(9) . . . . ?
C1 B4 B5 B9 135.81(10) . . . . ?
C1 B4 B5 B10 97.65(10) . . . . ?
C1 B4 B8 B3 38.64(9) . . . . ?
C1 B4 B8 B7 1.42(13) . . . . ?
C1 B4 B8 B9 -99.03(10) . . . . ?
C1 B4 B8 B12 -62.13(12) . . . . ?
C1 B4 B9 B5 -38.18(9) . . . . ?
C1 B4 B9 B8 99.97(10) . . . . ?
C1 B4 B9 B10 -0.53(13) . . . . ?
C1 B4 B9 B12 62.85(12) . . . . ?
C1 B5 B6 C2 37.43(10) . . . . ?
C1 B5 B6 B10 137.32(10) . . . . ?
C1 B5 B6 B11 100.62(11) . . . . ?
C1 B5 B6 B2 37.43(10) . . . . ?
C1 B5 B9 B4 37.94(9) . . . . ?
C1 B5 B9 B8 0.54(13) . . . . ?
C1 B5 B9 B10 -99.74(10) . . . . ?
C1 B5 B9 B12 -63.03(12) . . . . ?
C1 B5 B10 B6 -36.89(9) . . . . ?
C1 B5 B10 B9 98.94(10) . . . . ?
C1 B5 B10 B11 -0.89(13) . . . . ?
C1 B5 B10 B12 62.38(12) . . . . ?
C1 B6 B10 B5 37.71(9) . . . . ?
C1 B6 B10 B9 -1.08(13) . . . . ?
C1 B6 B10 B11 -102.28(10) . . . . ?
C1 B6 B10 B12 -63.68(12) . . . . ?
C1 B6 B11 C2 -38.54(10) . . . . ?
C1 B6 B11 B7 -2.10(13) . . . . ?
C1 B6 B11 B10 100.01(11) . . . . ?
C1 B6 B11 B12 61.00(12) . . . . ?
C1 B6 B11 B2 -38.54(10) . . . . ?
C1 B6 B2 B3 32.43(9) . . . . ?
C1 B6 B2 B7 98.94(11) . . . . ?
C1 B6 B2 B11 138.22(10) . . . . ?
C2 C1 B3 B4 -138.75(11) . . . . ?
C2 C1 B3 B7 -37.44(10) . . . . ?
C2 C1 B3 B8 -100.03(11) . . . . ?
C2 C1 B4 B3 37.23(9) . . . . ?
C2 C1 B4 B5 -103.38(10) . . . . ?
C2 C1 B4 B8 -1.53(13) . . . . ?
C2 C1 B4 B9 -64.72(11) . . . . ?
C2 C1 B5 B4 102.63(10) . . . . ?
C2 C1 B5 B6 -36.51(9) . . . . ?
C2 C1 B5 B9 64.01(12) . . . . ?
C2 C1 B5 B10 0.74(12) . . . . ?
C2 C1 B6 B5 139.80(10) . . . . ?
C2 C1 B6 B10 101.47(11) . . . . ?
C2 C1 B6 B11 37.11(10) . . . . ?
C2 B3 B4 C1 -37.41(10) . . . . ?
C2 B3 B4 B5 -2.70(13) . . . . ?
C2 B3 B4 B8 98.42(11) . . . . ?
C2 B3 B4 B9 60.37(12) . . . . ?
C2 B3 B7 B8 -136.90(11) . . . . ?
C2 B3 B7 B11 -35.90(10) . . . . ?
C2 B3 B7 B12 -98.58(11) . . . . ?
C2 B3 B8 B4 -101.72(10) . . . . ?
C2 B3 B8 B7 37.18(9) . . . . ?
C2 B3 B8 B9 -64.16(12) . . . . ?
C2 B3 B8 B12 -1.09(13) . . . . ?
C2 B6 B10 B5 103.39(11) . . . . ?
C2 B6 B10 B9 64.61(12) . . . . ?
C2 B6 B10 B11 -36.60(10) . . . . ?
C2 B6 B10 B12 2.01(13) . . . . ?
C2 B6 B11 B7 36.43(10) . . . . ?
C2 B6 B11 B10 138.54(11) . . . . ?
C2 B6 B11 B12 99.54(11) . . . . ?
C2 B7 B8 B3 -37.92(10) . . . . ?
C2 B7 B8 B4 -0.77(14) . . . . ?
C2 B7 B8 B9 62.48(13) . . . . ?
C2 B7 B8 B12 99.14(11) . . . . ?
C2 B7 B11 B6 -36.83(10) . . . . ?
C2 B7 B11 B10 -99.42(11) . . . . ?
C2 B7 B11 B12 -136.86(11) . . . . ?
C2 B7 B12 B8 -100.40(11) . . . . ?
C2 B7 B12 B9 -63.53(13) . . . . ?
C2 B7 B12 B10 0.35(13) . . . . ?
C2 B7 B12 B11 37.39(10) . . . . ?
C2 B11 B12 B7 -37.56(10) . . . . ?
C2 B11 B12 B8 -0.04(13) . . . . ?
C2 B11 B12 B9 63.57(13) . . . . ?
C2 B11 B12 B10 101.00(11) . . . . ?
B3 C1 C2 B6 143.60(11) . . . . ?
B3 C1 C2 B7 39.55(10) . . . . ?
B3 C1 C2 B11 105.74(12) . . . . ?
B3 C1 C2 N21 -110.62(19) . . . . ?
B3 C1 B4 B5 -140.61(10) . . . . ?
B3 C1 B4 B8 -38.76(9) . . . . ?
B3 C1 B4 B9 -101.95(10) . . . . ?
B3 C1 B5 B4 37.88(9) . . . . ?
B3 C1 B5 B6 -101.27(10) . . . . ?
B3 C1 B5 B9 -0.75(13) . . . . ?
B3 C1 B5 B10 -64.02(12) . . . . ?
B3 C1 B6 C2 -33.05(10) . . . . ?
B3 C1 B6 B5 106.75(10) . . . . ?
B3 C1 B6 B10 68.42(12) . . . . ?
B3 C1 B6 B11 4.07(13) . . . . ?
B3 C1 B6 B2 -33.05(10) . . . . ?
B3 C1 B2 B6 143.60(11) . . . . ?
B3 C1 B2 B7 39.55(10) . . . . ?
B3 C1 B2 B11 105.74(12) . . . . ?
B3 C2 B6 C1 32.43(9) . . . . ?
B3 C2 B6 B5 -3.80(14) . . . . ?
B3 C2 B6 B10 -68.38(13) . . . . ?
B3 C2 B6 B11 -105.79(12) . . . . ?
B3 C2 B7 B8 37.98(10) . . . . ?
B3 C2 B7 B11 138.93(11) . . . . ?
B3 C2 B7 B12 101.10(11) . . . . ?
B3 C2 B11 B6 99.47(11) . . . . ?
B3 C2 B11 B7 -38.86(10) . . . . ?
B3 C2 B11 B10 62.83(13) . . . . ?
B3 C2 B11 B12 -0.68(14) . . . . ?
B3 C2 N21 O22 46.7(3) . . . . ?
B3 B4 B5 C1 -35.01(9) . . . . ?
B3 B4 B5 B6 0.42(13) . . . . ?
B3 B4 B5 B9 100.80(11) . . . . ?
B3 B4 B5 B10 62.64(12) . . . . ?
B3 B4 B8 B7 -37.22(10) . . . . ?
B3 B4 B8 B9 -137.67(10) . . . . ?
B3 B4 B8 B12 -100.77(11) . . . . ?
B3 B4 B9 B5 -100.49(10) . . . . ?
B3 B4 B9 B8 37.66(9) . . . . ?
B3 B4 B9 B10 -62.83(12) . . . . ?
B3 B4 B9 B12 0.55(13) . . . . ?
B3 B7 B8 B4 37.16(10) . . . . ?
B3 B7 B8 B9 100.40(11) . . . . ?
B3 B7 B8 B12 137.06(10) . . . . ?
B3 B7 B11 C2 36.28(10) . . . . ?
B3 B7 B11 B6 -0.54(14) . . . . ?
B3 B7 B11 B10 -63.13(13) . . . . ?
B3 B7 B11 B12 -100.57(11) . . . . ?
B3 B7 B11 B2 36.28(10) . . . . ?
B3 B7 B12 B8 -38.01(9) . . . . ?
B3 B7 B12 B9 -1.15(14) . . . . ?
B3 B7 B12 B10 62.73(13) . . . . ?
B3 B7 B12 B11 99.77(11) . . . . ?
B3 B7 B2 C1 -38.15(9) . . . . ?
B3 B7 B2 B6 -100.16(11) . . . . ?
B3 B7 B2 B11 -138.93(11) . . . . ?
B3 B8 B9 B4 -37.87(9) . . . . ?
B3 B8 B9 B5 -0.17(13) . . . . ?
B3 B8 B9 B10 62.95(12) . . . . ?
B3 B8 B9 B12 100.67(11) . . . . ?
B3 B8 B12 B7 38.49(10) . . . . ?
B3 B8 B12 B9 -100.47(11) . . . . ?
B3 B8 B12 B10 -62.49(13) . . . . ?
B3 B8 B12 B11 0.72(13) . . . . ?
B4 C1 C2 B3 -38.46(10) . . . . ?
B4 C1 C2 B6 105.14(10) . . . . ?
B4 C1 C2 B7 1.09(13) . . . . ?
B4 C1 C2 B11 67.29(12) . . . . ?
B4 C1 C2 N21 -149.07(18) . . . . ?
B4 C1 B3 C2 138.75(11) . . . . ?
B4 C1 B3 B7 101.31(11) . . . . ?
B4 C1 B3 B8 38.72(9) . . . . ?
B4 C1 B3 B2 138.75(11) . . . . ?
B4 C1 B5 B6 -139.14(10) . . . . ?
B4 C1 B5 B9 -38.62(9) . . . . ?
B4 C1 B5 B10 -101.89(10) . . . . ?
B4 C1 B6 C2 -100.67(11) . . . . ?
B4 C1 B6 B5 39.13(9) . . . . ?
B4 C1 B6 B10 0.79(13) . . . . ?
B4 C1 B6 B11 -63.56(12) . . . . ?
B4 C1 B6 B2 -100.67(11) . . . . ?
B4 C1 B2 B3 -38.46(10) . . . . ?
B4 C1 B2 B6 105.14(10) . . . . ?
B4 C1 B2 B7 1.09(13) . . . . ?
B4 C1 B2 B11 67.29(12) . . . . ?
B4 B3 B7 C2 100.06(11) . . . . ?
B4 B3 B7 B8 -36.84(9) . . . . ?
B4 B3 B7 B11 64.16(13) . . . . ?
B4 B3 B7 B12 1.48(13) . . . . ?
B4 B3 B7 B2 100.06(11) . . . . ?
B4 B3 B8 B7 138.90(10) . . . . ?
B4 B3 B8 B9 37.55(9) . . . . ?
B4 B3 B8 B12 100.62(11) . . . . ?
B4 B3 B2 C1 36.01(9) . . . . ?
B4 B3 B2 B6 3.97(14) . . . . ?
B4 B3 B2 B7 -100.88(11) . . . . ?
B4 B3 B2 B11 -61.85(13) . . . . ?
B4 B5 B6 C1 -35.38(9) . . . . ?
B4 B5 B6 C2 2.05(13) . . . . ?
B4 B5 B6 B10 101.94(11) . . . . ?
B4 B5 B6 B11 65.24(12) . . . . ?
B4 B5 B6 B2 2.05(13) . . . . ?
B4 B5 B9 B8 -37.41(9) . . . . ?
B4 B5 B9 B10 -137.69(10) . . . . ?
B4 B5 B9 B12 -100.98(11) . . . . ?
B4 B5 B10 B6 -98.09(10) . . . . ?
B4 B5 B10 B9 37.73(9) . . . . ?
B4 B5 B10 B11 -62.09(12) . . . . ?
B4 B5 B10 B12 1.17(13) . . . . ?
B4 B8 B9 B5 37.70(9) . . . . ?
B4 B8 B9 B10 100.82(10) . . . . ?
B4 B8 B9 B12 138.55(11) . . . . ?
B4 B8 B12 B7 102.15(11) . . . . ?
B4 B8 B12 B9 -36.82(10) . . . . ?
B4 B8 B12 B10 1.17(14) . . . . ?
B4 B8 B12 B11 64.37(13) . . . . ?
B4 B9 B10 B5 -38.01(9) . . . . ?
B4 B9 B10 B6 0.99(13) . . . . ?
B4 B9 B10 B11 63.93(13) . . . . ?
B4 B9 B10 B12 100.96(11) . . . . ?
B4 B9 B12 B7 0.38(14) . . . . ?
B4 B9 B12 B8 37.03(10) . . . . ?
B4 B9 B12 B10 -100.65(11) . . . . ?
B4 B9 B12 B11 -63.44(13) . . . . ?
B5 C1 C2 B3 -106.06(10) . . . . ?
B5 C1 C2 B6 37.54(10) . . . . ?
B5 C1 C2 B7 -66.51(12) . . . . ?
B5 C1 C2 B11 -0.31(13) . . . . ?
B5 C1 C2 N21 143.33(18) . . . . ?
B5 C1 B3 C2 100.68(11) . . . . ?
B5 C1 B3 B4 -38.08(10) . . . . ?
B5 C1 B3 B7 63.23(12) . . . . ?
B5 C1 B3 B8 0.64(13) . . . . ?
B5 C1 B3 B2 100.68(11) . . . . ?
B5 C1 B4 B3 140.61(10) . . . . ?
B5 C1 B4 B8 101.85(11) . . . . ?
B5 C1 B4 B9 38.66(9) . . . . ?
B5 C1 B6 C2 -139.80(10) . . . . ?
B5 C1 B6 B10 -38.33(9) . . . . ?
B5 C1 B6 B11 -102.68(11) . . . . ?
B5 C1 B6 B2 -139.80(10) . . . . ?
B5 C1 B2 B3 -106.06(10) . . . . ?
B5 C1 B2 B6 37.54(10) . . . . ?
B5 C1 B2 B7 -66.51(12) . . . . ?
B5 C1 B2 B11 -0.31(13) . . . . ?
B5 B4 B8 B3 100.33(10) . . . . ?
B5 B4 B8 B7 63.11(13) . . . . ?
B5 B4 B8 B9 -37.34(10) . . . . ?
B5 B4 B8 B12 -0.44(13) . . . . ?
B5 B4 B9 B8 138.15(10) . . . . ?
B5 B4 B9 B10 37.65(9) . . . . ?
B5 B4 B9 B12 101.03(11) . . . . ?
B5 B6 B10 B9 -38.78(9) . . . . ?
B5 B6 B10 B11 -139.99(10) . . . . ?
B5 B6 B10 B12 -101.38(11) . . . . ?
B5 B6 B11 C2 -101.87(11) . . . . ?
B5 B6 B11 B7 -65.44(13) . . . . ?
B5 B6 B11 B10 36.67(10) . . . . ?
B5 B6 B11 B12 -2.33(13) . . . . ?
B5 B6 B11 B2 -101.87(11) . . . . ?
B5 B6 B2 C1 -36.23(9) . . . . ?
B5 B6 B2 B3 -3.80(14) . . . . ?
B5 B6 B2 B7 62.71(13) . . . . ?
B5 B6 B2 B11 101.99(11) . . . . ?
B5 B9 B10 B6 39.01(9) . . . . ?
B5 B9 B10 B11 101.94(11) . . . . ?
B5 B9 B10 B12 138.98(11) . . . . ?
B5 B9 B12 B7 64.41(13) . . . . ?
B5 B9 B12 B8 101.06(11) . . . . ?
B5 B9 B12 B10 -36.61(10) . . . . ?
B5 B9 B12 B11 0.60(14) . . . . ?
B5 B10 B11 C2 0.71(14) . . . . ?
B5 B10 B11 B6 -36.06(9) . . . . ?
B5 B10 B11 B7 62.82(13) . . . . ?
B5 B10 B11 B12 100.11(11) . . . . ?
B5 B10 B11 B2 0.71(14) . . . . ?
B5 B10 B12 B7 -64.62(13) . . . . ?
B5 B10 B12 B8 -1.45(14) . . . . ?
B5 B10 B12 B9 36.48(10) . . . . ?
B5 B10 B12 B11 -101.86(11) . . . . ?
B6 C1 C2 B3 -143.60(11) . . . . ?
B6 C1 C2 B7 -104.05(12) . . . . ?
B6 C1 C2 B11 -37.86(10) . . . . ?
B6 C1 C2 N21 105.78(19) . . . . ?
B6 C1 B3 C2 33.10(10) . . . . ?
B6 C1 B3 B4 -105.65(10) . . . . ?
B6 C1 B3 B7 -4.34(13) . . . . ?
B6 C1 B3 B8 -66.93(11) . . . . ?
B6 C1 B3 B2 33.10(10) . . . . ?
B6 C1 B4 B3 101.79(10) . . . . ?
B6 C1 B4 B5 -38.82(9) . . . . ?
B6 C1 B4 B8 63.04(12) . . . . ?
B6 C1 B4 B9 -0.16(13) . . . . ?
B6 C1 B5 B4 139.14(10) . . . . ?
B6 C1 B5 B9 100.52(10) . . . . ?
B6 C1 B5 B10 37.25(9) . . . . ?
B6 C1 B2 B3 -143.60(11) . . . . ?
B6 C1 B2 B7 -104.05(12) . . . . ?
B6 C1 B2 B11 -37.86(10) . . . . ?
B6 C2 B3 C1 -32.04(9) . . . . ?
B6 C2 B3 B4 3.97(14) . . . . ?
B6 C2 B3 B7 104.85(12) . . . . ?
B6 C2 B3 B8 66.94(13) . . . . ?
B6 C2 B7 B3 -100.16(11) . . . . ?
B6 C2 B7 B8 -62.18(13) . . . . ?
B6 C2 B7 B11 38.77(10) . . . . ?
B6 C2 B7 B12 0.94(14) . . . . ?
B6 C2 B11 B7 -138.33(11) . . . . ?
B6 C2 B11 B10 -36.63(10) . . . . ?
B6 C2 B11 B12 -100.14(11) . . . . ?
B6 C2 N21 O22 -172.54(16) . . . . ?
B6 B5 B9 B4 98.98(10) . . . . ?
B6 B5 B9 B8 61.58(12) . . . . ?
B6 B5 B9 B10 -38.70(9) . . . . ?
B6 B5 B9 B12 -1.99(13) . . . . ?
B6 B5 B10 B9 135.83(11) . . . . ?
B6 B5 B10 B11 36.00(10) . . . . ?
B6 B5 B10 B12 99.27(11) . . . . ?
B6 B10 B11 C2 36.77(10) . . . . ?
B6 B10 B11 B7 98.89(11) . . . . ?
B6 B10 B11 B12 136.17(11) . . . . ?
B6 B10 B11 B2 36.77(10) . . . . ?
B6 B10 B12 B7 -1.46(13) . . . . ?
B6 B10 B12 B8 61.72(13) . . . . ?
B6 B10 B12 B9 99.64(11) . . . . ?
B6 B10 B12 B11 -38.69(10) . . . . ?
B6 B11 B12 B7 -100.09(11) . . . . ?
B6 B11 B12 B8 -62.58(13) . . . . ?
B6 B11 B12 B9 1.04(14) . . . . ?
B6 B11 B12 B10 38.47(10) . . . . ?
B6 B11 B2 C1 36.38(9) . . . . ?
B6 B11 B2 B3 99.47(11) . . . . ?
B6 B11 B2 B7 138.33(11) . . . . ?
B7 C2 B3 C1 -136.89(11) . . . . ?
B7 C2 B3 B4 -100.88(11) . . . . ?
B7 C2 B3 B8 -37.92(10) . . . . ?
B7 C2 B6 C1 98.94(11) . . . . ?
B7 C2 B6 B5 62.71(13) . . . . ?
B7 C2 B6 B10 -1.88(14) . . . . ?
B7 C2 B6 B11 -39.28(10) . . . . ?
B7 C2 B11 B6 138.33(11) . . . . ?
B7 C2 B11 B10 101.70(11) . . . . ?
B7 C2 B11 B12 38.19(10) . . . . ?
B7 C2 N21 O22 -28.0(3) . . . . ?
B7 B3 B4 C1 -99.03(10) . . . . ?
B7 B3 B4 B5 -64.33(12) . . . . ?
B7 B3 B4 B8 36.79(10) . . . . ?
B7 B3 B4 B9 -1.26(13) . . . . ?
B7 B3 B8 B4 -138.90(10) . . . . ?
B7 B3 B8 B9 -101.34(11) . . . . ?
B7 B3 B8 B12 -38.28(9) . . . . ?
B7 B3 B2 C1 136.89(11) . . . . ?
B7 B3 B2 B6 104.85(12) . . . . ?
B7 B3 B2 B11 39.04(10) . . . . ?
B7 B8 B9 B4 -101.78(11) . . . . ?
B7 B8 B9 B5 -64.08(13) . . . . ?
B7 B8 B9 B10 -0.96(13) . . . . ?
B7 B8 B9 B12 36.76(10) . . . . ?
B7 B8 B12 B9 -138.96(11) . . . . ?
B7 B8 B12 B10 -100.98(11) . . . . ?
B7 B8 B12 B11 -37.77(10) . . . . ?
B7 B11 B12 B8 37.52(10) . . . . ?
B7 B11 B12 B9 101.13(12) . . . . ?
B7 B11 B12 B10 138.56(11) . . . . ?
B7 B11 B2 C1 -101.95(11) . . . . ?
B7 B11 B2 B3 -38.86(10) . . . . ?
B7 B11 B2 B6 -138.33(11) . . . . ?
B8 B3 B4 C1 -135.83(10) . . . . ?
B8 B3 B4 B5 -101.12(11) . . . . ?
B8 B3 B4 B9 -38.05(10) . . . . ?
B8 B3 B7 C2 136.90(11) . . . . ?
B8 B3 B7 B11 101.00(11) . . . . ?
B8 B3 B7 B12 38.33(10) . . . . ?
B8 B3 B7 B2 136.90(11) . . . . ?
B8 B3 B2 C1 98.97(10) . . . . ?
B8 B3 B2 B6 66.94(13) . . . . ?
B8 B3 B2 B7 -37.92(10) . . . . ?
B8 B3 B2 B11 1.12(13) . . . . ?
B8 B4 B5 C1 -98.10(10) . . . . ?
B8 B4 B5 B6 -62.67(12) . . . . ?
B8 B4 B5 B9 37.71(10) . . . . ?
B8 B4 B5 B10 -0.45(13) . . . . ?
B8 B4 B9 B5 -138.15(10) . . . . ?
B8 B4 B9 B10 -100.50(11) . . . . ?
B8 B4 B9 B12 -37.12(10) . . . . ?
B8 B7 B11 C2 99.06(11) . . . . ?
B8 B7 B11 B6 62.23(13) . . . . ?
B8 B7 B11 B10 -0.36(14) . . . . ?
B8 B7 B11 B12 -37.80(10) . . . . ?
B8 B7 B11 B2 99.06(11) . . . . ?
B8 B7 B12 B9 36.87(10) . . . . ?
B8 B7 B12 B10 100.75(11) . . . . ?
B8 B7 B12 B11 137.79(11) . . . . ?
B8 B7 B2 C1 -0.17(14) . . . . ?
B8 B7 B2 B3 37.98(10) . . . . ?
B8 B7 B2 B6 -62.18(13) . . . . ?
B8 B7 B2 B11 -100.95(11) . . . . ?
B8 B9 B10 B5 -101.21(11) . . . . ?
B8 B9 B10 B6 -62.20(12) . . . . ?
B8 B9 B10 B11 0.73(13) . . . . ?
B8 B9 B10 B12 37.77(10) . . . . ?
B8 B9 B12 B7 -36.65(10) . . . . ?
B8 B9 B12 B10 -137.68(11) . . . . ?
B8 B9 B12 B11 -100.47(12) . . . . ?
B9 B4 B5 C1 -135.81(10) . . . . ?
B9 B4 B5 B6 -100.38(11) . . . . ?
B9 B4 B5 B10 -38.16(9) . . . . ?
B9 B4 B8 B3 137.67(10) . . . . ?
B9 B4 B8 B7 100.44(11) . . . . ?
B9 B4 B8 B12 36.89(10) . . . . ?
B9 B5 B6 C1 -97.92(10) . . . . ?
B9 B5 B6 C2 -60.49(13) . . . . ?
B9 B5 B6 B10 39.40(10) . . . . ?
B9 B5 B6 B11 2.70(13) . . . . ?
B9 B5 B6 B2 -60.49(13) . . . . ?
B9 B5 B10 B6 -135.83(11) . . . . ?
B9 B5 B10 B11 -99.82(11) . . . . ?
B9 B5 B10 B12 -36.56(10) . . . . ?
B9 B8 B12 B7 138.96(11) . . . . ?
B9 B8 B12 B10 37.98(10) . . . . ?
B9 B8 B12 B11 101.19(11) . . . . ?
B9 B10 B11 C2 -62.35(13) . . . . ?
B9 B10 B11 B6 -99.12(11) . . . . ?
B9 B10 B11 B7 -0.23(14) . . . . ?
B9 B10 B11 B12 37.05(10) . . . . ?
B9 B10 B11 B2 -62.35(13) . . . . ?
B9 B10 B12 B7 -101.10(11) . . . . ?
B9 B10 B12 B8 -37.93(10) . . . . ?
B9 B10 B12 B11 -138.34(11) . . . . ?
B10 B5 B6 C1 -137.32(10) . . . . ?
B10 B5 B6 C2 -99.88(11) . . . . ?
B10 B5 B6 B11 -36.70(10) . . . . ?
B10 B5 B6 B2 -99.88(11) . . . . ?
B10 B5 B9 B4 137.69(10) . . . . ?
B10 B5 B9 B8 100.28(11) . . . . ?
B10 B5 B9 B12 36.71(10) . . . . ?
B10 B6 B11 C2 -138.54(11) . . . . ?
B10 B6 B11 B7 -102.11(11) . . . . ?
B10 B6 B11 B12 -39.00(10) . . . . ?
B10 B6 B11 B2 -138.54(11) . . . . ?
B10 B6 B2 C1 -100.82(10) . . . . ?
B10 B6 B2 B3 -68.38(13) . . . . ?
B10 B6 B2 B7 -1.88(14) . . . . ?
B10 B6 B2 B11 37.40(10) . . . . ?
B10 B9 B12 B7 101.02(11) . . . . ?
B10 B9 B12 B8 137.68(11) . . . . ?
B10 B9 B12 B11 37.21(10) . . . . ?
B10 B11 B12 B7 -138.56(11) . . . . ?
B10 B11 B12 B8 -101.04(11) . . . . ?
B10 B11 B12 B9 -37.43(10) . . . . ?
B10 B11 B2 C1 -0.25(14) . . . . ?
B10 B11 B2 B3 62.83(13) . . . . ?
B10 B11 B2 B6 -36.63(10) . . . . ?
B10 B11 B2 B7 101.70(11) . . . . ?
B11 C2 B3 C1 -97.86(11) . . . . ?
B11 C2 B3 B4 -61.85(13) . . . . ?
B11 C2 B3 B7 39.04(10) . . . . ?
B11 C2 B3 B8 1.12(13) . . . . ?
B11 C2 B6 C1 138.22(10) . . . . ?
B11 C2 B6 B5 101.99(11) . . . . ?
B11 C2 B6 B10 37.40(10) . . . . ?
B11 C2 B7 B3 -138.93(11) . . . . ?
B11 C2 B7 B8 -100.95(11) . . . . ?
B11 C2 B7 B12 -37.83(10) . . . . ?
B11 C2 N21 O22 -101.4(2) . . . . ?
B11 B6 B10 B5 139.99(10) . . . . ?
B11 B6 B10 B9 101.21(11) . . . . ?
B11 B6 B10 B12 38.61(10) . . . . ?
B11 B6 B2 C1 -138.22(10) . . . . ?
B11 B6 B2 B3 -105.79(12) . . . . ?
B11 B6 B2 B7 -39.28(10) . . . . ?
B11 B7 B8 B3 -99.58(11) . . . . ?
B11 B7 B8 B4 -62.43(13) . . . . ?
B11 B7 B8 B9 0.81(14) . . . . ?
B11 B7 B8 B12 37.48(10) . . . . ?
B11 B7 B12 B8 -137.79(11) . . . . ?
B11 B7 B12 B9 -100.92(11) . . . . ?
B11 B7 B12 B10 -37.04(10) . . . . ?
B11 B7 B2 C1 100.78(11) . . . . ?
B11 B7 B2 B3 138.93(11) . . . . ?
B11 B7 B2 B6 38.77(10) . . . . ?
B11 B10 B12 B7 37.24(10) . . . . ?
B11 B10 B12 B8 100.41(12) . . . . ?
B11 B10 B12 B9 138.34(11) . . . . ?
N21 C2 B3 C1 112.31(18) . . . . ?
N21 C2 B3 B4 148.32(16) . . . . ?
N21 C2 B3 B7 -110.80(17) . . . . ?
N21 C2 B3 B8 -148.72(16) . . . . ?
N21 C2 B6 C1 -113.32(18) . . . . ?
N21 C2 B6 B5 -149.55(16) . . . . ?
N21 C2 B6 B10 145.86(16) . . . . ?
N21 C2 B6 B11 108.46(17) . . . . ?
N21 C2 B7 B3 112.86(19) . . . . ?
N21 C2 B7 B8 150.83(18) . . . . ?
N21 C2 B7 B11 -108.22(19) . . . . ?
N21 C2 B7 B12 -146.05(18) . . . . ?
N21 C2 B11 B6 -109.38(17) . . . . ?
N21 C2 B11 B7 112.29(17) . . . . ?
N21 C2 B11 B10 -146.01(16) . . . . ?
N21 C2 B11 B12 150.48(16) . . . . ?
B12 B7 B8 B3 -137.06(10) . . . . ?
B12 B7 B8 B4 -99.91(11) . . . . ?
B12 B7 B8 B9 -36.67(10) . . . . ?
B12 B7 B11 C2 136.86(11) . . . . ?
B12 B7 B11 B6 100.03(11) . . . . ?
B12 B7 B11 B10 37.44(10) . . . . ?
B12 B7 B11 B2 136.86(11) . . . . ?
B12 B7 B2 C1 62.95(12) . . . . ?
B12 B7 B2 B3 101.10(11) . . . . ?
B12 B7 B2 B6 0.94(14) . . . . ?
B12 B7 B2 B11 -37.83(10) . . . . ?
B12 B8 B9 B4 -138.55(11) . . . . ?
B12 B8 B9 B5 -100.84(11) . . . . ?
B12 B8 B9 B10 -37.72(10) . . . . ?
B12 B9 B10 B5 -138.98(11) . . . . ?
B12 B9 B10 B6 -99.97(11) . . . . ?
B12 B9 B10 B11 -37.04(10) . . . . ?
B12 B10 B11 C2 -99.40(11) . . . . ?
B12 B10 B11 B6 -136.17(11) . . . . ?
B12 B10 B11 B7 -37.29(10) . . . . ?
B12 B10 B11 B2 -99.40(11) . . . . ?
B12 B11 B2 C1 -63.76(12) . . . . ?
B12 B11 B2 B3 -0.68(14) . . . . ?
B12 B11 B2 B6 -100.14(11) . . . . ?
B12 B11 B2 B7 38.19(10) . . . . ?
B2 C1 B3 B4 -138.75(11) . . . . ?
B2 C1 B3 B7 -37.44(10) . . . . ?
B2 C1 B3 B8 -100.03(11) . . . . ?
B2 C1 B4 B3 37.23(9) . . . . ?
B2 C1 B4 B5 -103.38(10) . . . . ?
B2 C1 B4 B8 -1.53(13) . . . . ?
B2 C1 B4 B9 -64.72(11) . . . . ?
B2 C1 B5 B4 102.63(10) . . . . ?
B2 C1 B5 B6 -36.51(9) . . . . ?
B2 C1 B5 B9 64.01(12) . . . . ?
B2 C1 B5 B10 0.74(12) . . . . ?
B2 C1 B6 B5 139.80(10) . . . . ?
B2 C1 B6 B10 101.47(11) . . . . ?
B2 C1 B6 B11 37.11(10) . . . . ?
B2 B3 B4 C1 -37.41(10) . . . . ?
B2 B3 B4 B5 -2.70(13) . . . . ?
B2 B3 B4 B8 98.42(11) . . . . ?
B2 B3 B4 B9 60.37(12) . . . . ?
B2 B3 B7 B8 -136.90(11) . . . . ?
B2 B3 B7 B11 -35.90(10) . . . . ?
B2 B3 B7 B12 -98.58(11) . . . . ?
B2 B3 B8 B4 -101.72(10) . . . . ?
B2 B3 B8 B7 37.18(9) . . . . ?
B2 B3 B8 B9 -64.16(12) . . . . ?
B2 B3 B8 B12 -1.09(13) . . . . ?
B2 B6 B10 B5 103.39(11) . . . . ?
B2 B6 B10 B9 64.61(12) . . . . ?
B2 B6 B10 B11 -36.60(10) . . . . ?
B2 B6 B10 B12 2.01(13) . . . . ?
B2 B6 B11 B7 36.43(10) . . . . ?
B2 B6 B11 B10 138.54(11) . . . . ?
B2 B6 B11 B12 99.54(11) . . . . ?
B2 B7 B8 B3 -37.92(10) . . . . ?
B2 B7 B8 B4 -0.77(14) . . . . ?
B2 B7 B8 B9 62.48(13) . . . . ?
B2 B7 B8 B12 99.14(11) . . . . ?
B2 B7 B11 B6 -36.83(10) . . . . ?
B2 B7 B11 B10 -99.42(11) . . . . ?
B2 B7 B11 B12 -136.86(11) . . . . ?
B2 B7 B12 B8 -100.40(11) . . . . ?
B2 B7 B12 B9 -63.53(13) . . . . ?
B2 B7 B12 B10 0.35(13) . . . . ?
B2 B7 B12 B11 37.39(10) . . . . ?
B2 B11 B12 B7 -37.56(10) . . . . ?
B2 B11 B12 B8 -0.04(13) . . . . ?
B2 B11 B12 B9 63.57(13) . . . . ?
B2 B11 B12 B10 101.00(11) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_5204
_database_code_depnum_ccdc_archive 'CCDC 1440365'
_audit_update_record             
;
2015-12-03 deposited with the CCDC.
2016-01-12 downloaded from the CCDC.
;
_audit_creation_date             2015-09-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C4 H21 B20 N O'
_chemical_formula_sum            'C4 H21 B20 N O'
_chemical_formula_weight         315.42
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   7.2275(19)
_cell_length_b                   9.678(3)
_cell_length_c                   12.993(4)
_cell_angle_alpha                90
_cell_angle_beta                 93.226(9)
_cell_angle_gamma                90
_cell_volume                     907.4(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5177
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      31.030
_cell_measurement_theta_min      2.626
_shelx_estimated_absorpt_T_max   0.986
_shelx_estimated_absorpt_T_min   0.980
_exptl_absorpt_coefficient_mu    0.054
_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_correction_T_min  0.6710
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0683 before and 0.0527 after correction.
The Ratio of minimum to maximum transmission is 0.8991.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.154
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             320
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.26
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0432
_diffrn_reflns_av_unetI/netI     0.0310
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21179
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         31.291
_diffrn_reflns_theta_min         2.626
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2353
_reflns_number_total             2950
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.277
_refine_diff_density_min         -0.387
_refine_diff_density_rms         0.052
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.147
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     160
_refine_ls_number_reflns         2950
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0688
_refine_ls_R_factor_gt           0.0536
_refine_ls_restrained_S_all      1.147
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0485P)²+0.6052P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1483
_refine_ls_wR_factor_ref         0.1546
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
2. Restrained distances
 C2-H2
 1.1 with sigma of 0.01
3. Others
 Fixed Sof: N21(0.5) O22(0.5) H2(0.5)
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.01084(17) 0.44670(13) 0.54401(10) 0.0147(2) Uani 1 1 d . . . . .
N21 N 0.2846(4) 0.2919(3) 0.4842(2) 0.0220(5) Uani 0.5 1 d . . P A 1
O22 O 0.3675(3) 0.1855(2) 0.49453(18) 0.0305(5) Uani 0.5 1 d . . P A 1
C2 C 0.1431(2) 0.31031(15) 0.55686(12) 0.0249(3) Uani 1 1 d D . . . .
H2 H 0.251(6) 0.307(6) 0.499(3) 0.030 Uiso 0.5 1 d DR . P B 2
B3 B 0.1572(2) 0.44791(15) 0.64466(11) 0.0168(3) Uani 1 1 d . . . . .
H3 H 0.255(2) 0.5119(19) 0.6393(13) 0.020 Uiso 1 1 d R . . . .
B4 B -0.0726(2) 0.50278(16) 0.66460(11) 0.0176(3) Uani 1 1 d . . . . .
H4 H -0.093(2) 0.611(2) 0.6754(13) 0.021 Uiso 1 1 d R . . . .
B5 B -0.2275(2) 0.39760(16) 0.58398(12) 0.0175(3) Uani 1 1 d . . . . .
H5 H -0.352(2) 0.4419(19) 0.5445(13) 0.021 Uiso 1 1 d R . . . .
B6 B -0.0892(2) 0.27801(15) 0.51471(12) 0.0176(3) Uani 1 1 d . . . . .
H6 H -0.117(2) 0.2520(19) 0.4341(14) 0.021 Uiso 1 1 d R . . . .
B7 B 0.1866(2) 0.27447(17) 0.68835(12) 0.0206(3) Uani 1 1 d . . . . .
H7 H 0.324(3) 0.245(2) 0.7116(14) 0.025 Uiso 1 1 d R . . . .
B8 B 0.0488(2) 0.39476(16) 0.75736(12) 0.0193(3) Uani 1 1 d . . . . .
H8 H 0.107(2) 0.4400(19) 0.8318(14) 0.023 Uiso 1 1 d R . . . .
B9 B -0.1924(2) 0.36212(16) 0.71986(12) 0.0189(3) Uani 1 1 d . . . . .
H9 H -0.295(2) 0.3823(19) 0.7712(14) 0.023 Uiso 1 1 d R . . . .
B10 B -0.2022(2) 0.22197(16) 0.62703(12) 0.0203(3) Uani 1 1 d . . . . .
H10 H -0.319(2) 0.153(2) 0.6206(14) 0.024 Uiso 1 1 d R . . . .
B11 B 0.0323(2) 0.16742(16) 0.60840(12) 0.0209(3) Uani 1 1 d . . . . .
H11 H 0.079(2) 0.067(2) 0.5865(14) 0.025 Uiso 1 1 d R . . . .
B12 B -0.0318(2) 0.22015(17) 0.73501(12) 0.0213(3) Uani 1 1 d . . . . .
H12 H -0.044(3) 0.1453(19) 0.7985(14) 0.026 Uiso 1 1 d R . . . .


_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
C1 C1 1.555(2) 3_566 ?
C1 C2 1.728(2) . ?
C1 B3 1.734(2) . ?
C1 B4 1.740(2) . ?
C1 B5 1.743(2) . ?
C1 B6 1.763(2) . ?
N21 O22 1.195(4) . ?
N21 C2 1.441(3) . ?
C2 H2 1.109(10) . ?
C2 B3 1.753(2) . ?
C2 B6 1.764(2) . ?
C2 B7 1.754(2) . ?
C2 B11 1.750(2) . ?
B3 H3 0.948(18) . ?
B3 B4 1.776(2) . ?
B3 B7 1.781(2) . ?
B3 B8 1.775(2) . ?
B4 H4 1.066(19) . ?
B4 B5 1.804(2) . ?
B4 B8 1.788(2) . ?
B4 B9 1.786(2) . ?
B5 H5 1.098(17) . ?
B5 B6 1.803(2) . ?
B5 B9 1.802(2) . ?
B5 B10 1.796(2) . ?
B6 H6 1.085(18) . ?
B6 B10 1.796(2) . ?
B6 B11 1.810(2) . ?
B7 H7 1.059(18) . ?
B7 B8 1.803(2) . ?
B7 B11 1.807(2) . ?
B7 B12 1.801(2) . ?
B8 H8 1.121(18) . ?
B8 B9 1.812(2) . ?
B8 B12 1.806(2) . ?
B9 H9 1.040(18) . ?
B9 B10 1.814(2) . ?
B9 B12 1.802(2) . ?
B10 H10 1.074(18) . ?
B10 B11 1.805(2) . ?
B10 B12 1.814(2) . ?
B11 H11 1.068(19) . ?
B11 B12 1.808(2) . ?
B12 H12 1.105(19) . ?

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
C1 C1 C2 119.14(13) 3_566 . ?
C1 C1 B3 117.07(13) 3_566 . ?
C1 C1 B4 119.81(13) 3_566 . ?
C1 C1 B5 121.97(13) 3_566 . ?
C1 C1 B6 120.02(13) 3_566 . ?
C2 C1 B3 60.83(8) . . ?
C2 C1 B4 110.34(10) . . ?
C2 C1 B5 110.31(10) . . ?
C2 C1 B6 60.70(8) . . ?
B3 C1 B4 61.51(8) . . ?
B3 C1 B5 112.32(10) . . ?
B3 C1 B6 111.84(10) . . ?
B4 C1 B5 62.38(8) . . ?
B4 C1 B6 112.82(10) . . ?
B5 C1 B6 61.89(8) . . ?
O22 N21 C2 113.8(3) . . ?
C1 C2 H2 116(3) . . ?
C1 C2 B3 59.74(8) . . ?
C1 C2 B6 60.61(8) . . ?
C1 C2 B7 108.92(11) . . ?
C1 C2 B11 109.55(11) . . ?
N21 C2 C1 120.53(17) . . ?
N21 C2 B3 120.19(17) . . ?
N21 C2 B6 118.21(17) . . ?
N21 C2 B7 121.22(17) . . ?
N21 C2 B11 120.63(17) . . ?
B3 C2 H2 116(3) . . ?
B3 C2 B6 110.86(11) . . ?
B3 C2 B7 61.03(9) . . ?
B6 C2 H2 119(3) . . ?
B7 C2 H2 124(3) . . ?
B7 C2 B6 112.49(12) . . ?
B11 C2 H2 126(3) . . ?
B11 C2 B3 111.25(12) . . ?
B11 C2 B6 62.02(9) . . ?
B11 C2 B7 62.09(9) . . ?
C1 B3 C2 59.43(8) . . ?
C1 B3 H3 116.4(11) . . ?
C1 B3 B4 59.42(8) . . ?
C1 B3 B7 107.46(10) . . ?
C1 B3 B8 107.31(10) . . ?
C2 B3 H3 117.7(11) . . ?
C2 B3 B4 107.54(11) . . ?
C2 B3 B7 59.53(9) . . ?
C2 B3 B8 107.73(11) . . ?
B4 B3 H3 121.7(11) . . ?
B4 B3 B7 109.32(11) . . ?
B7 B3 H3 124.3(11) . . ?
B8 B3 H3 128.1(11) . . ?
B8 B3 B4 60.45(9) . . ?
B8 B3 B7 60.93(9) . . ?
C1 B4 B3 59.07(8) . . ?
C1 B4 H4 118.0(10) . . ?
C1 B4 B5 58.90(8) . . ?
C1 B4 B8 106.47(10) . . ?
C1 B4 B9 106.21(10) . . ?
B3 B4 H4 116.9(9) . . ?
B3 B4 B5 107.54(10) . . ?
B3 B4 B8 59.73(9) . . ?
B3 B4 B9 108.02(11) . . ?
B5 B4 H4 122.8(9) . . ?
B8 B4 H4 123.5(9) . . ?
B8 B4 B5 109.06(11) . . ?
B9 B4 H4 128.2(10) . . ?
B9 B4 B5 60.28(9) . . ?
B9 B4 B8 60.93(9) . . ?
C1 B5 B4 58.72(8) . . ?
C1 B5 H5 118.8(9) . . ?
C1 B5 B6 59.58(8) . . ?
C1 B5 B9 105.35(10) . . ?
C1 B5 B10 105.88(10) . . ?
B4 B5 H5 121.1(9) . . ?
B6 B5 B4 107.98(10) . . ?
B6 B5 H5 118.7(9) . . ?
B9 B5 B4 59.36(8) . . ?
B9 B5 H5 126.7(9) . . ?
B9 B5 B6 108.39(10) . . ?
B10 B5 B4 107.72(11) . . ?
B10 B5 H5 125.6(9) . . ?
B10 B5 B6 59.89(9) . . ?
B10 B5 B9 60.55(9) . . ?
C1 B6 C2 58.69(8) . . ?
C1 B6 B5 58.53(8) . . ?
C1 B6 H6 117.6(10) . . ?
C1 B6 B10 105.04(10) . . ?
C1 B6 B11 105.34(10) . . ?
C2 B6 B5 106.02(10) . . ?
C2 B6 H6 117.5(9) . . ?
C2 B6 B10 105.64(11) . . ?
C2 B6 B11 58.60(9) . . ?
B5 B6 H6 123.6(10) . . ?
B5 B6 B11 107.78(11) . . ?
B10 B6 B5 59.85(9) . . ?
B10 B6 H6 130.3(10) . . ?
B10 B6 B11 60.04(9) . . ?
B11 B6 H6 124.6(10) . . ?
C2 B7 B3 59.44(8) . . ?
C2 B7 H7 116.4(10) . . ?
C2 B7 B8 106.44(11) . . ?
C2 B7 B11 58.84(9) . . ?
C2 B7 B12 105.86(11) . . ?
B3 B7 H7 115.7(11) . . ?
B3 B7 B8 59.38(9) . . ?
B3 B7 B11 107.37(10) . . ?
B3 B7 B12 106.94(11) . . ?
B8 B7 H7 124.4(10) . . ?
B8 B7 B11 108.42(11) . . ?
B11 B7 H7 123.4(11) . . ?
B12 B7 H7 130.7(10) . . ?
B12 B7 B8 60.14(9) . . ?
B12 B7 B11 60.13(9) . . ?
B3 B8 B4 59.81(8) . . ?
B3 B8 B7 59.69(9) . . ?
B3 B8 H8 115.9(9) . . ?
B3 B8 B9 106.94(10) . . ?
B3 B8 B12 106.97(11) . . ?
B4 B8 B7 107.83(11) . . ?
B4 B8 H8 119.9(10) . . ?
B4 B8 B9 59.47(8) . . ?
B4 B8 B12 107.27(11) . . ?
B7 B8 H8 119.4(9) . . ?
B7 B8 B9 107.68(11) . . ?
B7 B8 B12 59.87(9) . . ?
B9 B8 H8 127.4(9) . . ?
B12 B8 H8 127.3(10) . . ?
B12 B8 B9 59.77(9) . . ?
B4 B9 B5 60.37(8) . . ?
B4 B9 B8 59.60(9) . . ?
B4 B9 H9 119.5(10) . . ?
B4 B9 B10 107.72(11) . . ?
B4 B9 B12 107.52(11) . . ?
B5 B9 B8 108.08(10) . . ?
B5 B9 H9 121.7(10) . . ?
B5 B9 B10 59.54(9) . . ?
B8 B9 H9 120.1(10) . . ?
B8 B9 B10 108.06(11) . . ?
B10 B9 H9 124.3(10) . . ?
B12 B9 B5 107.84(11) . . ?
B12 B9 B8 59.95(9) . . ?
B12 B9 H9 123.3(10) . . ?
B12 B9 B10 60.22(9) . . ?
B5 B10 B6 60.26(8) . . ?
B5 B10 B9 59.92(9) . . ?
B5 B10 H10 119.7(10) . . ?
B5 B10 B11 108.36(11) . . ?
B5 B10 B12 107.63(11) . . ?
B6 B10 B9 108.18(10) . . ?
B6 B10 H10 121.0(10) . . ?
B6 B10 B11 60.37(9) . . ?
B6 B10 B12 108.13(11) . . ?
B9 B10 H10 121.0(10) . . ?
B9 B10 B12 59.58(9) . . ?
B11 B10 B9 107.83(11) . . ?
B11 B10 H10 123.3(10) . . ?
B11 B10 B12 59.93(9) . . ?
B12 B10 H10 123.5(10) . . ?
C2 B11 B6 59.37(8) . . ?
C2 B11 B7 59.07(9) . . ?
C2 B11 B10 105.88(11) . . ?
C2 B11 H11 117.2(10) . . ?
C2 B11 B12 105.75(11) . . ?
B6 B11 H11 120.2(10) . . ?
B7 B11 B6 107.92(11) . . ?
B7 B11 H11 118.7(10) . . ?
B7 B11 B12 59.76(9) . . ?
B10 B11 B6 59.58(9) . . ?
B10 B11 B7 108.00(11) . . ?
B10 B11 H11 127.7(10) . . ?
B10 B11 B12 60.30(9) . . ?
B12 B11 B6 107.80(11) . . ?
B12 B11 H11 126.8(10) . . ?
B7 B12 B8 59.99(9) . . ?
B7 B12 B9 108.19(11) . . ?
B7 B12 B10 107.86(11) . . ?
B7 B12 B11 60.11(9) . . ?
B7 B12 H12 123.4(10) . . ?
B8 B12 B10 108.32(11) . . ?
B8 B12 B11 108.28(11) . . ?
B8 B12 H12 122.2(10) . . ?
B9 B12 B8 60.29(9) . . ?
B9 B12 B10 60.20(9) . . ?
B9 B12 B11 108.20(11) . . ?
B9 B12 H12 120.3(10) . . ?
B10 B12 H12 120.3(10) . . ?
B11 B12 B10 59.77(9) . . ?
B11 B12 H12 121.9(10) . . ?

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
C1 C1 C2 N21 -2.8(2) 3_566 . . . ?
C1 C1 C2 B3 106.59(15) 3_566 . . . ?
C1 C1 C2 B6 -110.11(15) 3_566 . . . ?
C1 C1 C2 B7 144.16(14) 3_566 . . . ?
C1 C1 C2 B11 -149.63(13) 3_566 . . . ?
C1 C1 B3 C2 -109.94(15) 3_566 . . . ?
C1 C1 B3 B4 110.96(15) 3_566 . . . ?
C1 C1 B3 B7 -146.50(13) 3_566 . . . ?
C1 C1 B3 B8 149.32(13) 3_566 . . . ?
C1 C1 B4 B3 -106.61(15) 3_566 . . . ?
C1 C1 B4 B5 112.89(15) 3_566 . . . ?
C1 C1 B4 B8 -144.44(14) 3_566 . . . ?
C1 C1 B4 B9 151.77(13) 3_566 . . . ?
C1 C1 B5 B4 -109.56(16) 3_566 . . . ?
C1 C1 B5 B6 109.58(16) 3_566 . . . ?
C1 C1 B5 B9 -147.82(14) 3_566 . . . ?
C1 C1 B5 B10 149.06(14) 3_566 . . . ?
C1 C1 B6 C2 108.71(15) 3_566 . . . ?
C1 C1 B6 B5 -112.62(15) 3_566 . . . ?
C1 C1 B6 B10 -151.89(14) 3_566 . . . ?
C1 C1 B6 B11 145.65(14) 3_566 . . . ?
C1 C2 B3 B4 36.24(10) . . . . ?
C1 C2 B3 B7 138.75(11) . . . . ?
C1 C2 B3 B8 100.02(11) . . . . ?
C1 C2 B6 B5 -35.87(9) . . . . ?
C1 C2 B6 B10 -98.34(11) . . . . ?
C1 C2 B6 B11 -137.23(11) . . . . ?
C1 C2 B7 B3 -37.01(10) . . . . ?
C1 C2 B7 B8 0.71(14) . . . . ?
C1 C2 B7 B11 102.64(12) . . . . ?
C1 C2 B7 B12 63.60(13) . . . . ?
C1 C2 B11 B6 38.89(10) . . . . ?
C1 C2 B11 B7 -101.61(11) . . . . ?
C1 C2 B11 B10 0.16(14) . . . . ?
C1 C2 B11 B12 -62.77(13) . . . . ?
C1 B3 B4 B5 34.83(9) . . . . ?
C1 B3 B4 B8 137.08(11) . . . . ?
C1 B3 B4 B9 98.47(11) . . . . ?
C1 B3 B7 C2 36.52(10) . . . . ?
C1 B3 B7 B8 -100.49(11) . . . . ?
C1 B3 B7 B11 1.03(14) . . . . ?
C1 B3 B7 B12 -62.21(13) . . . . ?
C1 B3 B8 B4 -37.88(10) . . . . ?
C1 B3 B8 B7 100.73(11) . . . . ?
C1 B3 B8 B9 -0.20(13) . . . . ?
C1 B3 B8 B12 62.58(13) . . . . ?
C1 B4 B5 B6 34.90(9) . . . . ?
C1 B4 B5 B9 136.04(11) . . . . ?
C1 B4 B5 B10 98.16(11) . . . . ?
C1 B4 B8 B3 37.53(9) . . . . ?
C1 B4 B8 B7 0.70(14) . . . . ?
C1 B4 B8 B9 -99.72(11) . . . . ?
C1 B4 B8 B12 -62.42(13) . . . . ?
C1 B4 B9 B5 -38.24(9) . . . . ?
C1 B4 B9 B8 100.15(11) . . . . ?
C1 B4 B9 B10 -0.81(13) . . . . ?
C1 B4 B9 B12 62.71(13) . . . . ?
C1 B5 B6 C2 35.94(9) . . . . ?
C1 B5 B6 B10 135.01(11) . . . . ?
C1 B5 B6 B11 97.45(11) . . . . ?
C1 B5 B9 B4 37.96(9) . . . . ?
C1 B5 B9 B8 0.91(13) . . . . ?
C1 B5 B9 B10 -99.83(11) . . . . ?
C1 B5 B9 B12 -62.45(13) . . . . ?
C1 B5 B10 B6 -39.33(9) . . . . ?
C1 B5 B10 B9 98.94(11) . . . . ?
C1 B5 B10 B11 -1.47(14) . . . . ?
C1 B5 B10 B12 61.89(13) . . . . ?
C1 B6 B10 B5 38.63(9) . . . . ?
C1 B6 B10 B9 1.32(13) . . . . ?
C1 B6 B10 B11 -99.29(11) . . . . ?
C1 B6 B10 B12 -61.73(13) . . . . ?
C1 B6 B11 C2 -36.98(10) . . . . ?
C1 B6 B11 B7 -1.99(14) . . . . ?
C1 B6 B11 B10 98.77(11) . . . . ?
C1 B6 B11 B12 61.13(13) . . . . ?
N21 C2 B3 C1 109.9(2) . . . . ?
N21 C2 B3 B4 146.18(18) . . . . ?
N21 C2 B3 B7 -111.3(2) . . . . ?
N21 C2 B3 B8 -150.05(19) . . . . ?
N21 C2 B6 C1 -111.07(19) . . . . ?
N21 C2 B6 B5 -146.94(18) . . . . ?
N21 C2 B6 B10 150.59(18) . . . . ?
N21 C2 B6 B11 111.70(19) . . . . ?
N21 C2 B7 B3 109.7(2) . . . . ?
N21 C2 B7 B8 147.40(19) . . . . ?
N21 C2 B7 B11 -110.7(2) . . . . ?
N21 C2 B7 B12 -149.72(19) . . . . ?
N21 C2 B11 B6 -107.9(2) . . . . ?
N21 C2 B11 B7 111.6(2) . . . . ?
N21 C2 B11 B10 -146.63(19) . . . . ?
N21 C2 B11 B12 150.43(19) . . . . ?
O22 N21 C2 C1 -171.7(2) . . . . ?
O22 N21 C2 B3 117.8(3) . . . . ?
O22 N21 C2 B6 -101.0(3) . . . . ?
O22 N21 C2 B7 45.4(3) . . . . ?
O22 N21 C2 B11 -28.5(4) . . . . ?
C2 C1 B3 B4 -139.10(11) . . . . ?
C2 C1 B3 B7 -36.56(10) . . . . ?
C2 C1 B3 B8 -100.74(12) . . . . ?
C2 C1 B4 B3 37.57(10) . . . . ?
C2 C1 B4 B5 -102.93(11) . . . . ?
C2 C1 B4 B8 -0.26(13) . . . . ?
C2 C1 B4 B9 -64.05(13) . . . . ?
C2 C1 B5 B4 102.98(11) . . . . ?
C2 C1 B5 B6 -37.88(10) . . . . ?
C2 C1 B5 B9 64.72(12) . . . . ?
C2 C1 B5 B10 1.59(13) . . . . ?
C2 C1 B6 B5 138.67(11) . . . . ?
C2 C1 B6 B10 99.40(11) . . . . ?
C2 C1 B6 B11 36.95(10) . . . . ?
C2 B3 B4 C1 -36.25(10) . . . . ?
C2 B3 B4 B5 -1.42(14) . . . . ?
C2 B3 B4 B8 100.83(12) . . . . ?
C2 B3 B4 B9 62.23(13) . . . . ?
C2 B3 B7 B8 -137.00(11) . . . . ?
C2 B3 B7 B11 -35.49(10) . . . . ?
C2 B3 B7 B12 -98.73(12) . . . . ?
C2 B3 B8 B4 -100.52(11) . . . . ?
C2 B3 B8 B7 38.10(10) . . . . ?
C2 B3 B8 B9 -62.84(13) . . . . ?
C2 B3 B8 B12 -0.06(14) . . . . ?
C2 B6 B10 B5 99.72(11) . . . . ?
C2 B6 B10 B9 62.40(13) . . . . ?
C2 B6 B10 B11 -38.21(10) . . . . ?
C2 B6 B10 B12 -0.65(14) . . . . ?
C2 B6 B11 B7 34.99(10) . . . . ?
C2 B6 B11 B10 135.75(11) . . . . ?
C2 B6 B11 B12 98.12(12) . . . . ?
C2 B7 B8 B3 -37.75(10) . . . . ?
C2 B7 B8 B4 -0.87(14) . . . . ?
C2 B7 B8 B9 61.91(13) . . . . ?
C2 B7 B8 B12 99.15(12) . . . . ?
C2 B7 B11 B6 -35.12(10) . . . . ?
C2 B7 B11 B10 -98.09(12) . . . . ?
C2 B7 B11 B12 -135.68(11) . . . . ?
C2 B7 B12 B8 -100.15(11) . . . . ?
C2 B7 B12 B9 -62.55(13) . . . . ?
C2 B7 B12 B10 1.11(14) . . . . ?
C2 B7 B12 B11 38.43(10) . . . . ?
C2 B11 B12 B7 -38.51(10) . . . . ?
C2 B11 B12 B8 -1.40(14) . . . . ?
C2 B11 B12 B9 62.44(13) . . . . ?
C2 B11 B12 B10 99.59(11) . . . . ?
B3 C1 C2 N21 -109.4(2) . . . . ?
B3 C1 C2 B6 143.30(11) . . . . ?
B3 C1 C2 B7 37.57(10) . . . . ?
B3 C1 C2 B11 103.78(12) . . . . ?
B3 C1 B4 B5 -140.50(11) . . . . ?
B3 C1 B4 B8 -37.83(10) . . . . ?
B3 C1 B4 B9 -101.62(11) . . . . ?
B3 C1 B5 B4 37.18(10) . . . . ?
B3 C1 B5 B6 -103.69(11) . . . . ?
B3 C1 B5 B9 -1.08(13) . . . . ?
B3 C1 B5 B10 -64.21(13) . . . . ?
B3 C1 B6 C2 -34.20(10) . . . . ?
B3 C1 B6 B5 104.47(11) . . . . ?
B3 C1 B6 B10 65.20(12) . . . . ?
B3 C1 B6 B11 2.74(13) . . . . ?
B3 C2 B6 C1 33.53(10) . . . . ?
B3 C2 B6 B5 -2.34(14) . . . . ?
B3 C2 B6 B10 -64.81(13) . . . . ?
B3 C2 B6 B11 -103.70(13) . . . . ?
B3 C2 B7 B8 37.73(10) . . . . ?
B3 C2 B7 B11 139.65(11) . . . . ?
B3 C2 B7 B12 100.61(11) . . . . ?
B3 C2 B11 B6 103.07(12) . . . . ?
B3 C2 B11 B7 -37.43(10) . . . . ?
B3 C2 B11 B10 64.34(13) . . . . ?
B3 C2 B11 B12 1.41(14) . . . . ?
B3 B4 B5 C1 -34.90(9) . . . . ?
B3 B4 B5 B6 0.00(14) . . . . ?
B3 B4 B5 B9 101.14(11) . . . . ?
B3 B4 B5 B10 63.25(13) . . . . ?
B3 B4 B8 B7 -36.83(10) . . . . ?
B3 B4 B8 B9 -137.25(11) . . . . ?
B3 B4 B8 B12 -99.95(12) . . . . ?
B3 B4 B9 B5 -100.32(11) . . . . ?
B3 B4 B9 B8 38.07(10) . . . . ?
B3 B4 B9 B10 -62.89(13) . . . . ?
B3 B4 B9 B12 0.63(14) . . . . ?
B3 B7 B8 B4 36.89(10) . . . . ?
B3 B7 B8 B9 99.66(11) . . . . ?
B3 B7 B8 B12 136.91(11) . . . . ?
B3 B7 B11 C2 35.74(10) . . . . ?
B3 B7 B11 B6 0.62(14) . . . . ?
B3 B7 B11 B10 -62.35(13) . . . . ?
B3 B7 B11 B12 -99.94(12) . . . . ?
B3 B7 B12 B8 -37.92(10) . . . . ?
B3 B7 B12 B9 -0.33(14) . . . . ?
B3 B7 B12 B10 63.33(13) . . . . ?
B3 B7 B12 B11 100.65(11) . . . . ?
B3 B8 B9 B4 -37.83(10) . . . . ?
B3 B8 B9 B5 -0.45(14) . . . . ?
B3 B8 B9 B10 62.52(13) . . . . ?
B3 B8 B9 B12 100.12(11) . . . . ?
B3 B8 B12 B7 38.07(10) . . . . ?
B3 B8 B12 B9 -100.06(11) . . . . ?
B3 B8 B12 B10 -62.40(13) . . . . ?
B3 B8 B12 B11 0.91(14) . . . . ?
B4 C1 C2 N21 -147.24(19) . . . . ?
B4 C1 C2 B3 -37.86(10) . . . . ?
B4 C1 C2 B6 105.44(11) . . . . ?
B4 C1 C2 B7 -0.29(14) . . . . ?
B4 C1 C2 B11 65.92(13) . . . . ?
B4 C1 B3 C2 139.10(11) . . . . ?
B4 C1 B3 B7 102.54(11) . . . . ?
B4 C1 B3 B8 38.36(10) . . . . ?
B4 C1 B5 B6 -140.86(11) . . . . ?
B4 C1 B5 B9 -38.26(10) . . . . ?
B4 C1 B5 B10 -101.39(11) . . . . ?
B4 C1 B6 C2 -101.32(11) . . . . ?
B4 C1 B6 B5 37.35(10) . . . . ?
B4 C1 B6 B10 -1.92(13) . . . . ?
B4 C1 B6 B11 -64.37(13) . . . . ?
B4 B3 B7 C2 99.46(12) . . . . ?
B4 B3 B7 B8 -37.55(10) . . . . ?
B4 B3 B7 B11 63.97(13) . . . . ?
B4 B3 B7 B12 0.72(14) . . . . ?
B4 B3 B8 B7 138.62(11) . . . . ?
B4 B3 B8 B9 37.68(10) . . . . ?
B4 B3 B8 B12 100.46(11) . . . . ?
B4 B5 B6 C1 -34.55(9) . . . . ?
B4 B5 B6 C2 1.39(14) . . . . ?
B4 B5 B6 B10 100.47(11) . . . . ?
B4 B5 B6 B11 62.90(13) . . . . ?
B4 B5 B9 B8 -37.05(10) . . . . ?
B4 B5 B9 B10 -137.80(11) . . . . ?
B4 B5 B9 B12 -100.41(12) . . . . ?
B4 B5 B10 B6 -100.91(11) . . . . ?
B4 B5 B10 B9 37.35(10) . . . . ?
B4 B5 B10 B11 -63.05(13) . . . . ?
B4 B5 B10 B12 0.30(14) . . . . ?
B4 B8 B9 B5 37.39(10) . . . . ?
B4 B8 B9 B10 100.35(11) . . . . ?
B4 B8 B9 B12 137.96(11) . . . . ?
B4 B8 B12 B7 100.97(11) . . . . ?
B4 B8 B12 B9 -37.17(10) . . . . ?
B4 B8 B12 B10 0.49(14) . . . . ?
B4 B8 B12 B11 63.80(13) . . . . ?
B4 B9 B10 B5 -37.80(10) . . . . ?
B4 B9 B10 B6 -0.33(14) . . . . ?
B4 B9 B10 B11 63.50(13) . . . . ?
B4 B9 B10 B12 100.44(12) . . . . ?
B4 B9 B12 B7 -0.19(14) . . . . ?
B4 B9 B12 B8 37.28(10) . . . . ?
B4 B9 B12 B10 -100.78(11) . . . . ?
B4 B9 B12 B11 -63.82(13) . . . . ?
B5 C1 C2 N21 145.71(19) . . . . ?
B5 C1 C2 B3 -104.91(11) . . . . ?
B5 C1 C2 B6 38.40(10) . . . . ?
B5 C1 C2 B7 -67.33(13) . . . . ?
B5 C1 C2 B11 -1.13(14) . . . . ?
B5 C1 B3 C2 101.56(11) . . . . ?
B5 C1 B3 B4 -37.53(10) . . . . ?
B5 C1 B3 B7 65.01(13) . . . . ?
B5 C1 B3 B8 0.82(14) . . . . ?
B5 C1 B4 B3 140.50(11) . . . . ?
B5 C1 B4 B8 102.67(11) . . . . ?
B5 C1 B4 B9 38.89(10) . . . . ?
B5 C1 B6 C2 -138.67(11) . . . . ?
B5 C1 B6 B10 -39.27(10) . . . . ?
B5 C1 B6 B11 -101.73(11) . . . . ?
B5 B4 B8 B3 99.64(11) . . . . ?
B5 B4 B8 B7 62.81(13) . . . . ?
B5 B4 B8 B9 -37.60(10) . . . . ?
B5 B4 B8 B12 -0.31(14) . . . . ?
B5 B4 B9 B8 138.39(11) . . . . ?
B5 B4 B9 B10 37.43(10) . . . . ?
B5 B4 B9 B12 100.95(12) . . . . ?
B5 B6 B10 B9 -37.32(10) . . . . ?
B5 B6 B10 B11 -137.92(11) . . . . ?
B5 B6 B10 B12 -100.36(12) . . . . ?
B5 B6 B11 C2 -98.27(11) . . . . ?
B5 B6 B11 B7 -63.28(13) . . . . ?
B5 B6 B11 B10 37.48(10) . . . . ?
B5 B6 B11 B12 -0.15(14) . . . . ?
B5 B9 B10 B6 37.47(10) . . . . ?
B5 B9 B10 B11 101.31(11) . . . . ?
B5 B9 B10 B12 138.25(11) . . . . ?
B5 B9 B12 B7 63.51(13) . . . . ?
B5 B9 B12 B8 100.98(11) . . . . ?
B5 B9 B12 B10 -37.08(10) . . . . ?
B5 B9 B12 B11 -0.12(14) . . . . ?
B5 B10 B11 C2 0.82(14) . . . . ?
B5 B10 B11 B6 -37.81(10) . . . . ?
B5 B10 B11 B7 62.82(14) . . . . ?
B5 B10 B11 B12 100.17(12) . . . . ?
B5 B10 B12 B7 -63.95(14) . . . . ?
B5 B10 B12 B8 -0.50(15) . . . . ?
B5 B10 B12 B9 37.20(10) . . . . ?
B5 B10 B12 B11 -101.42(12) . . . . ?
B6 C1 C2 N21 107.3(2) . . . . ?
B6 C1 C2 B3 -143.30(11) . . . . ?
B6 C1 C2 B7 -105.73(12) . . . . ?
B6 C1 C2 B11 -39.52(10) . . . . ?
B6 C1 B3 C2 34.16(10) . . . . ?
B6 C1 B3 B4 -104.94(11) . . . . ?
B6 C1 B3 B7 -2.40(14) . . . . ?
B6 C1 B3 B8 -66.58(12) . . . . ?
B6 C1 B4 B3 103.35(11) . . . . ?
B6 C1 B4 B5 -37.16(10) . . . . ?
B6 C1 B4 B8 65.52(13) . . . . ?
B6 C1 B4 B9 1.73(14) . . . . ?
B6 C1 B5 B4 140.86(11) . . . . ?
B6 C1 B5 B9 102.60(11) . . . . ?
B6 C1 B5 B10 39.48(10) . . . . ?
B6 C2 B3 C1 -33.86(10) . . . . ?
B6 C2 B3 B4 2.38(15) . . . . ?
B6 C2 B3 B7 104.89(13) . . . . ?
B6 C2 B3 B8 66.15(13) . . . . ?
B6 C2 B7 B3 -102.20(12) . . . . ?
B6 C2 B7 B8 -64.48(14) . . . . ?
B6 C2 B7 B11 37.44(10) . . . . ?
B6 C2 B7 B12 -1.59(14) . . . . ?
B6 C2 B11 B7 -140.50(11) . . . . ?
B6 C2 B11 B10 -38.73(10) . . . . ?
B6 C2 B11 B12 -101.66(12) . . . . ?
B6 B5 B9 B4 100.44(11) . . . . ?
B6 B5 B9 B8 63.39(13) . . . . ?
B6 B5 B9 B10 -37.36(10) . . . . ?
B6 B5 B9 B12 0.03(14) . . . . ?
B6 B5 B10 B9 138.27(11) . . . . ?
B6 B5 B10 B11 37.86(10) . . . . ?
B6 B5 B10 B12 101.22(12) . . . . ?
B6 B10 B11 C2 38.63(10) . . . . ?
B6 B10 B11 B7 100.63(12) . . . . ?
B6 B10 B11 B12 137.98(11) . . . . ?
B6 B10 B12 B7 -0.29(15) . . . . ?
B6 B10 B12 B8 63.17(14) . . . . ?
B6 B10 B12 B9 100.86(11) . . . . ?
B6 B10 B12 B11 -37.75(10) . . . . ?
B6 B11 B12 B7 -100.78(12) . . . . ?
B6 B11 B12 B8 -63.67(14) . . . . ?
B6 B11 B12 B9 0.17(14) . . . . ?
B6 B11 B12 B10 37.32(10) . . . . ?
B7 C2 B3 C1 -138.75(11) . . . . ?
B7 C2 B3 B4 -102.51(11) . . . . ?
B7 C2 B3 B8 -38.74(10) . . . . ?
B7 C2 B6 C1 99.76(12) . . . . ?
B7 C2 B6 B5 63.88(13) . . . . ?
B7 C2 B6 B10 1.42(14) . . . . ?
B7 C2 B6 B11 -37.47(11) . . . . ?
B7 C2 B11 B6 140.50(11) . . . . ?
B7 C2 B11 B10 101.77(12) . . . . ?
B7 C2 B11 B12 38.84(10) . . . . ?
B7 B3 B4 C1 -99.32(11) . . . . ?
B7 B3 B4 B5 -64.49(13) . . . . ?
B7 B3 B4 B8 37.75(10) . . . . ?
B7 B3 B4 B9 -0.85(14) . . . . ?
B7 B3 B8 B4 -138.62(11) . . . . ?
B7 B3 B8 B9 -100.94(11) . . . . ?
B7 B3 B8 B12 -38.16(10) . . . . ?
B7 B8 B9 B4 -100.67(11) . . . . ?
B7 B8 B9 B5 -63.28(13) . . . . ?
B7 B8 B9 B10 -0.31(14) . . . . ?
B7 B8 B9 B12 37.29(10) . . . . ?
B7 B8 B12 B9 -138.13(11) . . . . ?
B7 B8 B12 B10 -100.47(12) . . . . ?
B7 B8 B12 B11 -37.16(10) . . . . ?
B7 B11 B12 B8 37.11(10) . . . . ?
B7 B11 B12 B9 100.95(12) . . . . ?
B7 B11 B12 B10 138.10(11) . . . . ?
B8 B3 B4 C1 -137.08(11) . . . . ?
B8 B3 B4 B5 -102.25(12) . . . . ?
B8 B3 B4 B9 -38.60(10) . . . . ?
B8 B3 B7 C2 137.00(11) . . . . ?
B8 B3 B7 B11 101.52(12) . . . . ?
B8 B3 B7 B12 38.27(10) . . . . ?
B8 B4 B5 C1 -98.16(11) . . . . ?
B8 B4 B5 B6 -63.25(13) . . . . ?
B8 B4 B5 B9 37.89(10) . . . . ?
B8 B4 B5 B10 0.00(14) . . . . ?
B8 B4 B9 B5 -138.39(11) . . . . ?
B8 B4 B9 B10 -100.95(12) . . . . ?
B8 B4 B9 B12 -37.44(10) . . . . ?
B8 B7 B11 C2 98.46(12) . . . . ?
B8 B7 B11 B6 63.35(14) . . . . ?
B8 B7 B11 B10 0.37(14) . . . . ?
B8 B7 B11 B12 -37.22(10) . . . . ?
B8 B7 B12 B9 37.60(10) . . . . ?
B8 B7 B12 B10 101.26(12) . . . . ?
B8 B7 B12 B11 138.58(11) . . . . ?
B8 B9 B10 B5 -100.76(11) . . . . ?
B8 B9 B10 B6 -63.29(13) . . . . ?
B8 B9 B10 B11 0.54(14) . . . . ?
B8 B9 B10 B12 37.48(10) . . . . ?
B8 B9 B12 B7 -37.47(10) . . . . ?
B8 B9 B12 B10 -138.06(11) . . . . ?
B8 B9 B12 B11 -101.10(12) . . . . ?
B9 B4 B5 C1 -136.04(11) . . . . ?
B9 B4 B5 B6 -101.14(11) . . . . ?
B9 B4 B5 B10 -37.89(10) . . . . ?
B9 B4 B8 B3 137.25(11) . . . . ?
B9 B4 B8 B7 100.41(12) . . . . ?
B9 B4 B8 B12 37.30(10) . . . . ?
B9 B5 B6 C1 -97.37(11) . . . . ?
B9 B5 B6 C2 -61.42(13) . . . . ?
B9 B5 B6 B10 37.65(10) . . . . ?
B9 B5 B6 B11 0.08(13) . . . . ?
B9 B5 B10 B6 -138.27(11) . . . . ?
B9 B5 B10 B11 -100.40(12) . . . . ?
B9 B5 B10 B12 -37.05(10) . . . . ?
B9 B8 B12 B7 138.13(11) . . . . ?
B9 B8 B12 B10 37.66(10) . . . . ?
B9 B8 B12 B11 100.97(12) . . . . ?
B9 B10 B11 C2 -62.57(13) . . . . ?
B9 B10 B11 B6 -101.19(11) . . . . ?
B9 B10 B11 B7 -0.56(14) . . . . ?
B9 B10 B11 B12 36.79(10) . . . . ?
B9 B10 B12 B7 -101.15(12) . . . . ?
B9 B10 B12 B8 -37.70(10) . . . . ?
B9 B10 B12 B11 -138.62(11) . . . . ?
B10 B5 B6 C1 -135.01(11) . . . . ?
B10 B5 B6 C2 -99.07(11) . . . . ?
B10 B5 B6 B11 -37.57(10) . . . . ?
B10 B5 B9 B4 137.80(11) . . . . ?
B10 B5 B9 B8 100.75(12) . . . . ?
B10 B5 B9 B12 37.38(10) . . . . ?
B10 B6 B11 C2 -135.75(11) . . . . ?
B10 B6 B11 B7 -100.76(12) . . . . ?
B10 B6 B11 B12 -37.64(10) . . . . ?
B10 B9 B12 B7 100.59(12) . . . . ?
B10 B9 B12 B8 138.06(11) . . . . ?
B10 B9 B12 B11 36.96(10) . . . . ?
B10 B11 B12 B7 -138.10(11) . . . . ?
B10 B11 B12 B8 -100.99(12) . . . . ?
B10 B11 B12 B9 -37.15(10) . . . . ?
B11 C2 B3 C1 -100.88(12) . . . . ?
B11 C2 B3 B4 -64.64(13) . . . . ?
B11 C2 B3 B7 37.87(11) . . . . ?
B11 C2 B3 B8 -0.86(14) . . . . ?
B11 C2 B6 C1 137.23(11) . . . . ?
B11 C2 B6 B5 101.36(11) . . . . ?
B11 C2 B6 B10 38.89(10) . . . . ?
B11 C2 B7 B3 -139.65(11) . . . . ?
B11 C2 B7 B8 -101.92(12) . . . . ?
B11 C2 B7 B12 -39.04(10) . . . . ?
B11 B6 B10 B5 137.92(11) . . . . ?
B11 B6 B10 B9 100.60(12) . . . . ?
B11 B6 B10 B12 37.56(10) . . . . ?
B11 B7 B8 B3 -99.70(12) . . . . ?
B11 B7 B8 B4 -62.81(14) . . . . ?
B11 B7 B8 B9 -0.03(14) . . . . ?
B11 B7 B8 B12 37.21(10) . . . . ?
B11 B7 B12 B8 -138.58(11) . . . . ?
B11 B7 B12 B9 -100.98(12) . . . . ?
B11 B7 B12 B10 -37.32(10) . . . . ?
B11 B10 B12 B7 37.47(10) . . . . ?
B11 B10 B12 B8 100.92(12) . . . . ?
B11 B10 B12 B9 138.62(11) . . . . ?
B12 B7 B8 B3 -136.91(11) . . . . ?
B12 B7 B8 B4 -100.02(12) . . . . ?
B12 B7 B8 B9 -37.24(10) . . . . ?
B12 B7 B11 C2 135.68(11) . . . . ?
B12 B7 B11 B6 100.56(12) . . . . ?
B12 B7 B11 B10 37.59(10) . . . . ?
B12 B8 B9 B4 -137.96(11) . . . . ?
B12 B8 B9 B5 -100.57(12) . . . . ?
B12 B8 B9 B10 -37.60(10) . . . . ?
B12 B9 B10 B5 -138.25(11) . . . . ?
B12 B9 B10 B6 -100.78(12) . . . . ?
B12 B9 B10 B11 -36.94(10) . . . . ?
B12 B10 B11 C2 -99.35(11) . . . . ?
B12 B10 B11 B6 -137.98(11) . . . . ?
B12 B10 B11 B7 -37.35(10) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_5201
_database_code_depnum_ccdc_archive 'CCDC 1440366'
_audit_update_record             
;
2015-12-03 deposited with the CCDC.
2016-01-12 downloaded from the CCDC.
;
_audit_creation_date             2015-10-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C8 H17 B10 N O'
_chemical_formula_sum            'C8 H17 B10 N O'
_chemical_formula_weight         251.32
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.4155(10)
_cell_length_b                   11.0414(10)
_cell_length_c                   13.1547(12)
_cell_angle_alpha                67.377(3)
_cell_angle_beta                 79.186(3)
_cell_angle_gamma                89.541(3)
_cell_volume                     1368.2(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9902
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      27.963
_cell_measurement_theta_min      2.356
_shelx_estimated_absorpt_T_max   0.992
_shelx_estimated_absorpt_T_min   0.964
_exptl_absorpt_coefficient_mu    0.065
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.7061
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0461 before and 0.0384 after correction.
The Ratio of minimum to maximum transmission is 0.9470.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.220
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             520
_exptl_crystal_size_max          0.58
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0241
_diffrn_reflns_av_unetI/netI     0.0260
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            24224
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         27.964
_diffrn_reflns_theta_min         2.726
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5427
_reflns_number_total             6469
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.349
_refine_diff_density_min         -0.394
_refine_diff_density_rms         0.043
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.931
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         6469
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0382
_refine_ls_restrained_S_all      0.931
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0625P)²+0.5694P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1012
_refine_ls_wR_factor_ref         0.1081
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All B(H,H) groups, All C(H) groups, All N(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C22(H22), C23(H23), C24(H24), C25(H25), C26(H26), C22'(H22'), C23'(H23'),
 C24'(H24'), C25'(H25'), C26'(H26')
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.80578(10) 0.42221(10) 0.17545(9) 0.0124(2) Uani 1 1 d . . . . .
N1 N 0.91687(10) 0.51453(10) 0.13128(8) 0.0171(2) Uani 1 1 d . . . . .
H1 H 0.9801(16) 0.4768(14) 0.1261(12) 0.021 Uiso 1 1 d R . . . .
O1 O 0.91286(9) 0.60529(8) 0.01987(7) 0.02137(19) Uani 1 1 d . . . . .
C2 C 0.67968(10) 0.45284(10) 0.26662(9) 0.0123(2) Uani 1 1 d . . . . .
B3 B 0.65922(12) 0.46922(12) 0.13437(10) 0.0140(2) Uani 1 1 d . . . . .
H3 H 0.6557(13) 0.5656(13) 0.0706(11) 0.017 Uiso 1 1 d R . . . .
B4 B 0.74586(13) 0.34334(12) 0.10383(10) 0.0150(2) Uani 1 1 d . . . . .
H4 H 0.7940(14) 0.3688(13) 0.0191(11) 0.018 Uiso 1 1 d R . . . .
B5 B 0.82344(13) 0.25750(12) 0.21837(10) 0.0152(2) Uani 1 1 d . . . . .
H5 H 0.9231(14) 0.2307(13) 0.2009(11) 0.018 Uiso 1 1 d R . . . .
B6 B 0.78461(12) 0.33221(12) 0.31784(10) 0.0140(2) Uani 1 1 d . . . . .
H6 H 0.8579(13) 0.3524(13) 0.3594(11) 0.017 Uiso 1 1 d R . . . .
B7 B 0.53408(12) 0.39315(13) 0.25633(11) 0.0156(2) Uani 1 1 d . . . . .
H1A H 0.9170(14) 0.6856(14) 0.0220(11) 0.019 Uiso 1 1 d R . . . .
H7 H 0.4513(14) 0.4491(13) 0.2672(11) 0.019 Uiso 1 1 d R . . . .
B8 B 0.57390(13) 0.32143(13) 0.15462(11) 0.0171(3) Uani 1 1 d . . . . .
H8 H 0.5090(14) 0.3254(13) 0.0990(12) 0.020 Uiso 1 1 d R . . . .
B9 B 0.67479(13) 0.18947(12) 0.20830(11) 0.0175(3) Uani 1 1 d . . . . .
H9 H 0.6752(14) 0.1043(13) 0.1885(11) 0.021 Uiso 1 1 d R . . . .
B10 B 0.70055(13) 0.18235(12) 0.34106(11) 0.0169(3) Uani 1 1 d . . . . .
H10 H 0.7157(14) 0.0909(13) 0.4084(12) 0.020 Uiso 1 1 d R . . . .
B11 B 0.61177(13) 0.30719(12) 0.37049(11) 0.0153(2) Uani 1 1 d . . . . .
H11 H 0.5747(14) 0.3058(13) 0.4528(11) 0.018 Uiso 1 1 d R . . . .
B12 B 0.54428(13) 0.22022(13) 0.30181(11) 0.0179(3) Uani 1 1 d . . . . .
H12 H 0.4587(14) 0.1546(14) 0.3449(12) 0.021 Uiso 1 1 d R . . . .
C21 C 0.69423(10) 0.57446(10) 0.29040(9) 0.0134(2) Uani 1 1 d . . . . .
C22 C 0.69095(11) 0.69980(11) 0.20918(10) 0.0161(2) Uani 1 1 d . . . . .
H22 H 0.6839 0.7104 0.1353 0.019 Uiso 1 1 calc R . . . .
C23 C 0.69798(11) 0.80965(11) 0.23565(10) 0.0195(2) Uani 1 1 d . . . . .
H23 H 0.6963 0.8949 0.1794 0.023 Uiso 1 1 calc R . . . .
C24 C 0.70733(12) 0.79603(12) 0.34300(11) 0.0214(3) Uani 1 1 d . . . . .
H24 H 0.7106 0.8714 0.3609 0.026 Uiso 1 1 calc R . . . .
C25 C 0.71182(13) 0.67133(12) 0.42432(11) 0.0232(3) Uani 1 1 d . . . . .
H25 H 0.7189 0.6613 0.4981 0.028 Uiso 1 1 calc R . . . .
C26 C 0.70603(12) 0.56105(12) 0.39822(10) 0.0192(2) Uani 1 1 d . . . . .
H26 H 0.7101 0.4761 0.4541 0.023 Uiso 1 1 calc R . . . .
C1' C 0.12526(10) 0.92809(10) 0.15991(9) 0.0118(2) Uani 1 1 d . . . . .
N1' N 0.03107(10) 1.01407(9) 0.10966(8) 0.0161(2) Uani 1 1 d . . . . .
H1' H -0.0050(15) 1.0466(14) 0.1508(12) 0.019 Uiso 1 1 d R . . . .
O1' O 0.09096(9) 1.11947(8) 0.00711(7) 0.01997(19) Uani 1 1 d . . . . .
C2' C 0.21268(10) 0.96554(10) 0.24487(9) 0.0117(2) Uani 1 1 d . . . . .
B3' B 0.08244(12) 0.84598(12) 0.30209(10) 0.0133(2) Uani 1 1 d . . . . .
H3' H -0.0079(13) 0.8715(13) 0.3434(11) 0.016 Uiso 1 1 d R . . . .
B4' B 0.08695(13) 0.76231(12) 0.20982(10) 0.0150(2) Uani 1 1 d . . . . .
H4' H -0.0040(14) 0.7324(13) 0.2002(11) 0.018 Uiso 1 1 d R . . . .
B5' B 0.21569(13) 0.84374(12) 0.09221(10) 0.0152(2) Uani 1 1 d . . . . .
H5' H 0.2029(14) 0.8637(13) 0.0078(11) 0.018 Uiso 1 1 d R . . . .
B6' B 0.29190(12) 0.97326(12) 0.11504(10) 0.0139(2) Uani 1 1 d . . . . .
H6' H 0.3234(13) 1.0668(13) 0.0490(11) 0.017 Uiso 1 1 d R . . . .
B7' B 0.23222(13) 0.82354(12) 0.35274(10) 0.0147(2) Uani 1 1 d . . . . .
H1'A H 0.0713(14) 1.0985(14) -0.0437(12) 0.018 Uiso 1 1 d R . . . .
H7' H 0.2318(13) 0.8288(13) 0.4321(11) 0.018 Uiso 1 1 d R . . . .
B8' B 0.15533(13) 0.69389(12) 0.33157(11) 0.0162(2) Uani 1 1 d . . . . .
H8' H 0.1087(14) 0.6067(13) 0.4033(11) 0.019 Uiso 1 1 d R . . . .
B9' B 0.24022(13) 0.69259(12) 0.20046(11) 0.0171(3) Uani 1 1 d . . . . .
H9' H 0.2524(14) 0.6070(13) 0.1826(11) 0.020 Uiso 1 1 d R . . . .
B10' B 0.36625(13) 0.82312(12) 0.14068(11) 0.0166(2) Uani 1 1 d . . . . .
H10' H 0.4554(14) 0.8187(13) 0.0866(11) 0.020 Uiso 1 1 d R . . . .
B11' B 0.36240(12) 0.90237(12) 0.23648(11) 0.0150(2) Uani 1 1 d . . . . .
H11' H 0.4411(13) 0.9561(13) 0.2446(11) 0.018 Uiso 1 1 d R . . . .
B12' B 0.32950(13) 0.72898(12) 0.28933(11) 0.0169(3) Uani 1 1 d . . . . .
H12' H 0.3958(14) 0.6640(13) 0.3334(12) 0.020 Uiso 1 1 d R . . . .
C21' C 0.18844(10) 1.09101(10) 0.26325(9) 0.0123(2) Uani 1 1 d . . . . .
C22' C 0.12848(12) 1.08389(11) 0.37013(9) 0.0174(2) Uani 1 1 d . . . . .
H22' H 0.0998 1.0007 0.4290 0.021 Uiso 1 1 calc R . . . .
C23' C 0.11077(12) 1.19786(12) 0.39052(10) 0.0203(2) Uani 1 1 d . . . . .
H23' H 0.0699 1.1923 0.4633 0.024 Uiso 1 1 calc R . . . .
C24' C 0.15234(11) 1.31980(11) 0.30543(10) 0.0175(2) Uani 1 1 d . . . . .
H24' H 0.1405 1.3976 0.3197 0.021 Uiso 1 1 calc R . . . .
C25' C 0.21121(11) 1.32739(11) 0.19942(10) 0.0162(2) Uani 1 1 d . . . . .
H25' H 0.2395 1.4108 0.1407 0.019 Uiso 1 1 calc R . . . .
C26' C 0.22922(11) 1.21356(11) 0.17833(9) 0.0143(2) Uani 1 1 d . . . . .
H26' H 0.2697 1.2197 0.1053 0.017 Uiso 1 1 calc R . . . .


_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
C1 N1 1.4235(14) . ?
C1 C2 1.7296(15) . ?
C1 B3 1.7241(16) . ?
C1 B4 1.7018(16) . ?
C1 B5 1.7040(16) . ?
C1 B6 1.7208(16) . ?
N1 H1 0.783(16) . ?
N1 O1 1.4305(13) . ?
O1 H1A 0.899(15) . ?
C2 B3 1.7323(16) . ?
C2 B6 1.7277(16) . ?
C2 B7 1.7071(16) . ?
C2 B11 1.7083(16) . ?
C2 C21 1.5061(14) . ?
B3 H3 1.077(13) . ?
B3 B4 1.7835(17) . ?
B3 B7 1.7817(18) . ?
B3 B8 1.7674(18) . ?
B4 H4 1.060(14) . ?
B4 B5 1.7798(18) . ?
B4 B8 1.7738(18) . ?
B4 B9 1.7791(18) . ?
B5 H5 1.085(14) . ?
B5 B6 1.7841(17) . ?
B5 B9 1.7752(19) . ?
B5 B10 1.7729(18) . ?
B6 H6 1.089(14) . ?
B6 B10 1.7697(18) . ?
B6 B11 1.7860(18) . ?
B7 H7 1.076(14) . ?
B7 B8 1.7863(18) . ?
B7 B11 1.7770(18) . ?
B7 B12 1.7768(18) . ?
B8 H8 1.075(14) . ?
B8 B9 1.7855(19) . ?
B8 B12 1.7915(19) . ?
B9 H9 1.068(14) . ?
B9 B10 1.7883(19) . ?
B9 B12 1.7783(19) . ?
B10 H10 1.091(14) . ?
B10 B11 1.7779(18) . ?
B10 B12 1.797(2) . ?
B11 H11 1.073(13) . ?
B11 B12 1.7746(18) . ?
B12 H12 1.071(14) . ?
C21 C22 1.3905(15) . ?
C21 C26 1.3972(15) . ?
C22 H22 0.9500 . ?
C22 C23 1.3905(15) . ?
C23 H23 0.9500 . ?
C23 C24 1.3835(17) . ?
C24 H24 0.9500 . ?
C24 C25 1.3881(18) . ?
C25 H25 0.9500 . ?
C25 C26 1.3911(16) . ?
C26 H26 0.9500 . ?
C1' N1' 1.4305(14) . ?
C1' C2' 1.7299(15) . ?
C1' B3' 1.7053(16) . ?
C1' B4' 1.7116(16) . ?
C1' B5' 1.6902(16) . ?
C1' B6' 1.7356(16) . ?
N1' H1' 0.796(15) . ?
N1' O1' 1.4323(12) . ?
O1' H1'A 0.844(15) . ?
C2' B3' 1.7408(16) . ?
C2' B6' 1.7219(16) . ?
C2' B7' 1.7044(16) . ?
C2' B11' 1.7052(16) . ?
C2' C21' 1.5068(14) . ?
B3' H3' 1.087(14) . ?
B3' B4' 1.7804(17) . ?
B3' B7' 1.7877(18) . ?
B3' B8' 1.7709(18) . ?
B4' H4' 1.051(14) . ?
B4' B5' 1.7806(18) . ?
B4' B8' 1.7697(18) . ?
B4' B9' 1.7708(19) . ?
B5' H5' 1.080(13) . ?
B5' B6' 1.7898(17) . ?
B5' B9' 1.7833(18) . ?
B5' B10' 1.7820(19) . ?
B6' H6' 1.066(13) . ?
B6' B10' 1.7631(18) . ?
B6' B11' 1.7812(18) . ?
B7' H7' 1.067(13) . ?
B7' B8' 1.7824(18) . ?
B7' B11' 1.7753(18) . ?
B7' B12' 1.7744(18) . ?
B8' H8' 1.091(14) . ?
B8' B9' 1.7897(18) . ?
B8' B12' 1.7937(19) . ?
B9' H9' 1.059(14) . ?
B9' B10' 1.7860(19) . ?
B9' B12' 1.7800(18) . ?
B10' H10' 1.072(14) . ?
B10' B11' 1.7843(18) . ?
B10' B12' 1.7924(19) . ?
B11' H11' 1.060(14) . ?
B11' B12' 1.7784(18) . ?
B12' H12' 1.072(14) . ?
C21' C22' 1.3997(15) . ?
C21' C26' 1.3883(15) . ?
C22' H22' 0.9500 . ?
C22' C23' 1.3882(15) . ?
C23' H23' 0.9500 . ?
C23' C24' 1.3860(16) . ?
C24' H24' 0.9500 . ?
C24' C25' 1.3848(16) . ?
C25' H25' 0.9500 . ?
C25' C26' 1.3917(15) . ?
C26' H26' 0.9500 . ?

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
N1 C1 C2 116.05(8) . . ?
N1 C1 B3 119.53(9) . . ?
N1 C1 B4 124.92(9) . . ?
N1 C1 B5 121.13(9) . . ?
N1 C1 B6 113.59(9) . . ?
B3 C1 C2 60.21(6) . . ?
B4 C1 C2 110.48(8) . . ?
B4 C1 B3 62.74(7) . . ?
B4 C1 B5 63.01(7) . . ?
B4 C1 B6 114.26(8) . . ?
B5 C1 C2 110.31(8) . . ?
B5 C1 B3 114.03(8) . . ?
B5 C1 B6 62.79(7) . . ?
B6 C1 C2 60.09(6) . . ?
B6 C1 B3 112.05(8) . . ?
C1 N1 H1 108.7(11) . . ?
C1 N1 O1 110.75(9) . . ?
O1 N1 H1 106.1(11) . . ?
N1 O1 H1A 105.5(9) . . ?
C1 C2 B3 59.74(6) . . ?
B6 C2 C1 59.70(6) . . ?
B6 C2 B3 111.31(8) . . ?
B7 C2 C1 109.38(8) . . ?
B7 C2 B3 62.39(7) . . ?
B7 C2 B6 113.62(8) . . ?
B7 C2 B11 62.70(7) . . ?
B11 C2 C1 109.35(8) . . ?
B11 C2 B3 113.25(8) . . ?
B11 C2 B6 62.63(7) . . ?
C21 C2 C1 118.27(8) . . ?
C21 C2 B3 119.24(9) . . ?
C21 C2 B6 115.76(9) . . ?
C21 C2 B7 123.43(9) . . ?
C21 C2 B11 121.36(9) . . ?
C1 B3 C2 60.05(6) . . ?
C1 B3 H3 119.1(7) . . ?
C1 B3 B4 58.02(7) . . ?
C1 B3 B7 106.24(9) . . ?
C1 B3 B8 104.99(9) . . ?
C2 B3 H3 120.0(7) . . ?
C2 B3 B4 106.60(8) . . ?
C2 B3 B7 58.11(7) . . ?
C2 B3 B8 105.58(8) . . ?
B4 B3 H3 122.1(7) . . ?
B7 B3 H3 124.3(7) . . ?
B7 B3 B4 108.40(9) . . ?
B8 B3 H3 127.6(7) . . ?
B8 B3 B4 59.94(7) . . ?
B8 B3 B7 60.44(7) . . ?
C1 B4 B3 59.24(7) . . ?
C1 B4 H4 116.4(7) . . ?
C1 B4 B5 58.56(7) . . ?
C1 B4 B8 105.66(8) . . ?
C1 B4 B9 105.04(9) . . ?
B3 B4 H4 116.1(7) . . ?
B5 B4 B3 107.61(8) . . ?
B5 B4 H4 122.0(8) . . ?
B5 B4 B9 59.84(7) . . ?
B8 B4 B3 59.58(7) . . ?
B8 B4 H4 125.9(8) . . ?
B8 B4 B5 108.24(9) . . ?
B8 B4 B9 60.34(7) . . ?
B9 B4 B3 107.49(9) . . ?
B9 B4 H4 130.6(7) . . ?
C1 B5 B4 58.43(7) . . ?
C1 B5 H5 115.1(7) . . ?
C1 B5 B6 59.06(6) . . ?
C1 B5 B9 105.12(9) . . ?
C1 B5 B10 105.61(8) . . ?
B4 B5 H5 119.0(7) . . ?
B4 B5 B6 107.53(8) . . ?
B6 B5 H5 117.9(7) . . ?
B9 B5 B4 60.06(7) . . ?
B9 B5 H5 129.9(7) . . ?
B9 B5 B6 107.73(9) . . ?
B10 B5 B4 108.51(9) . . ?
B10 B5 H5 128.5(7) . . ?
B10 B5 B6 59.67(7) . . ?
B10 B5 B9 60.53(7) . . ?
C1 B6 C2 60.21(6) . . ?
C1 B6 B5 58.15(7) . . ?
C1 B6 H6 116.1(7) . . ?
C1 B6 B10 105.04(8) . . ?
C1 B6 B11 106.22(9) . . ?
C2 B6 B5 106.72(8) . . ?
C2 B6 H6 118.1(7) . . ?
C2 B6 B10 105.44(9) . . ?
C2 B6 B11 58.15(7) . . ?
B5 B6 H6 121.9(7) . . ?
B5 B6 B11 107.94(9) . . ?
B10 B6 B5 59.85(7) . . ?
B10 B6 H6 130.5(7) . . ?
B10 B6 B11 60.00(7) . . ?
B11 B6 H6 126.1(7) . . ?
C2 B7 B3 59.50(7) . . ?
C2 B7 H7 115.5(7) . . ?
C2 B7 B8 105.83(9) . . ?
C2 B7 B11 58.68(7) . . ?
C2 B7 B12 105.56(9) . . ?
B3 B7 H7 117.1(7) . . ?
B3 B7 B8 59.38(7) . . ?
B8 B7 H7 127.3(7) . . ?
B11 B7 B3 107.68(9) . . ?
B11 B7 H7 120.6(7) . . ?
B11 B7 B8 108.09(9) . . ?
B11 B7 B12 59.91(7) . . ?
B12 B7 B3 107.62(9) . . ?
B12 B7 H7 130.0(7) . . ?
B12 B7 B8 60.37(7) . . ?
B3 B8 B4 60.48(7) . . ?
B3 B8 B7 60.18(7) . . ?
B3 B8 H8 118.1(7) . . ?
B3 B8 B9 107.92(9) . . ?
B3 B8 B12 107.60(9) . . ?
B4 B8 B7 108.63(9) . . ?
B4 B8 H8 120.0(8) . . ?
B4 B8 B9 59.98(7) . . ?
B4 B8 B12 107.90(9) . . ?
B7 B8 H8 120.7(8) . . ?
B7 B8 B12 59.55(7) . . ?
B9 B8 B7 107.51(9) . . ?
B9 B8 H8 124.8(7) . . ?
B9 B8 B12 59.62(7) . . ?
B12 B8 H8 125.1(7) . . ?
B4 B9 B8 59.68(7) . . ?
B4 B9 H9 120.1(7) . . ?
B4 B9 B10 107.86(9) . . ?
B5 B9 B4 60.10(7) . . ?
B5 B9 B8 107.92(9) . . ?
B5 B9 H9 119.9(8) . . ?
B5 B9 B10 59.67(7) . . ?
B5 B9 B12 108.36(9) . . ?
B8 B9 H9 122.4(8) . . ?
B8 B9 B10 108.36(9) . . ?
B10 B9 H9 122.2(7) . . ?
B12 B9 B4 108.25(9) . . ?
B12 B9 B8 60.36(7) . . ?
B12 B9 H9 123.5(8) . . ?
B12 B9 B10 60.51(7) . . ?
B5 B10 B9 59.80(7) . . ?
B5 B10 H10 121.1(7) . . ?
B5 B10 B11 108.80(8) . . ?
B5 B10 B12 107.63(9) . . ?
B6 B10 B5 60.48(7) . . ?
B6 B10 B9 107.79(9) . . ?
B6 B10 H10 120.8(7) . . ?
B6 B10 B11 60.46(7) . . ?
B6 B10 B12 107.64(9) . . ?
B9 B10 H10 122.8(7) . . ?
B9 B10 B12 59.47(7) . . ?
B11 B10 B9 107.46(9) . . ?
B11 B10 H10 121.3(7) . . ?
B11 B10 B12 59.52(7) . . ?
B12 B10 H10 122.9(7) . . ?
C2 B11 B6 59.21(7) . . ?
C2 B11 B7 58.61(7) . . ?
C2 B11 B10 105.92(9) . . ?
C2 B11 H11 118.1(7) . . ?
C2 B11 B12 105.60(9) . . ?
B6 B11 H11 118.5(8) . . ?
B7 B11 B6 107.55(9) . . ?
B7 B11 B10 108.57(9) . . ?
B7 B11 H11 121.0(7) . . ?
B10 B11 B6 59.55(7) . . ?
B10 B11 H11 125.4(7) . . ?
B12 B11 B6 107.91(9) . . ?
B12 B11 B7 60.04(7) . . ?
B12 B11 B10 60.77(7) . . ?
B12 B11 H11 127.5(7) . . ?
B7 B12 B8 60.08(7) . . ?
B7 B12 B9 108.24(9) . . ?
B7 B12 B10 107.73(9) . . ?
B7 B12 H12 120.6(8) . . ?
B8 B12 B10 107.71(9) . . ?
B8 B12 H12 123.3(8) . . ?
B9 B12 B8 60.02(7) . . ?
B9 B12 B10 60.02(7) . . ?
B9 B12 H12 123.5(8) . . ?
B10 B12 H12 121.7(8) . . ?
B11 B12 B7 60.05(7) . . ?
B11 B12 B8 107.96(9) . . ?
B11 B12 B9 108.04(9) . . ?
B11 B12 B10 59.70(7) . . ?
B11 B12 H12 119.7(8) . . ?
C22 C21 C2 121.77(10) . . ?
C22 C21 C26 118.97(10) . . ?
C26 C21 C2 119.21(10) . . ?
C21 C22 H22 119.9 . . ?
C23 C22 C21 120.26(11) . . ?
C23 C22 H22 119.9 . . ?
C22 C23 H23 119.7 . . ?
C24 C23 C22 120.68(11) . . ?
C24 C23 H23 119.7 . . ?
C23 C24 H24 120.3 . . ?
C23 C24 C25 119.42(11) . . ?
C25 C24 H24 120.3 . . ?
C24 C25 H25 119.9 . . ?
C24 C25 C26 120.23(11) . . ?
C26 C25 H25 119.9 . . ?
C21 C26 H26 119.8 . . ?
C25 C26 C21 120.42(11) . . ?
C25 C26 H26 119.8 . . ?
N1' C1' C2' 120.37(8) . . ?
N1' C1' B3' 115.00(9) . . ?
N1' C1' B4' 117.62(9) . . ?
N1' C1' B5' 121.03(9) . . ?
N1' C1' B6' 121.00(9) . . ?
C2' C1' B6' 59.59(6) . . ?
B3' C1' C2' 60.89(6) . . ?
B3' C1' B4' 62.80(7) . . ?
B3' C1' B6' 112.26(8) . . ?
B4' C1' C2' 110.88(8) . . ?
B4' C1' B6' 114.26(8) . . ?
B5' C1' C2' 110.49(8) . . ?
B5' C1' B3' 114.59(8) . . ?
B5' C1' B4' 63.12(7) . . ?
B5' C1' B6' 62.98(7) . . ?
C1' N1' H1' 110.5(11) . . ?
C1' N1' O1' 111.85(9) . . ?
O1' N1' H1' 107.0(10) . . ?
N1' O1' H1'A 104.2(9) . . ?
C1' C2' B3' 58.86(6) . . ?
B6' C2' C1' 60.37(6) . . ?
B6' C2' B3' 111.20(8) . . ?
B7' C2' C1' 108.77(8) . . ?
B7' C2' B3' 62.51(7) . . ?
B7' C2' B6' 113.46(8) . . ?
B7' C2' B11' 62.75(7) . . ?
B11' C2' C1' 109.79(8) . . ?
B11' C2' B3' 113.51(8) . . ?
B11' C2' B6' 62.62(7) . . ?
C21' C2' C1' 118.53(8) . . ?
C21' C2' B3' 115.65(9) . . ?
C21' C2' B6' 119.51(9) . . ?
C21' C2' B7' 120.99(9) . . ?
C21' C2' B11' 123.43(9) . . ?
C1' B3' C2' 60.25(6) . . ?
C1' B3' H3' 116.4(7) . . ?
C1' B3' B4' 58.77(7) . . ?
C1' B3' B7' 106.11(8) . . ?
C1' B3' B8' 105.37(8) . . ?
C2' B3' H3' 116.9(7) . . ?
C2' B3' B4' 107.19(8) . . ?
C2' B3' B7' 57.75(7) . . ?
C2' B3' B8' 105.32(9) . . ?
B4' B3' H3' 123.3(7) . . ?
B4' B3' B7' 108.10(9) . . ?
B7' B3' H3' 124.8(7) . . ?
B8' B3' H3' 131.0(7) . . ?
B8' B3' B4' 59.78(7) . . ?
B8' B3' B7' 60.12(7) . . ?
C1' B4' B3' 58.42(6) . . ?
C1' B4' H4' 116.9(7) . . ?
C1' B4' B5' 57.85(6) . . ?
C1' B4' B8' 105.15(8) . . ?
C1' B4' B9' 104.69(9) . . ?
B3' B4' H4' 116.5(7) . . ?
B3' B4' B5' 106.71(8) . . ?
B5' B4' H4' 121.8(7) . . ?
B8' B4' B3' 59.84(7) . . ?
B8' B4' H4' 125.9(7) . . ?
B8' B4' B5' 108.61(9) . . ?
B8' B4' B9' 60.73(7) . . ?
B9' B4' B3' 107.77(9) . . ?
B9' B4' H4' 130.3(7) . . ?
B9' B4' B5' 60.28(7) . . ?
C1' B5' B4' 59.03(7) . . ?
C1' B5' H5' 116.3(7) . . ?
C1' B5' B6' 59.75(7) . . ?
C1' B5' B9' 105.05(8) . . ?
C1' B5' B10' 105.56(8) . . ?
B4' B5' H5' 120.7(7) . . ?
B4' B5' B6' 108.37(8) . . ?
B4' B5' B9' 59.59(7) . . ?
B6' B5' H5' 117.2(7) . . ?
B9' B5' H5' 129.9(7) . . ?
B9' B5' B6' 107.25(9) . . ?
B10' B5' B4' 108.02(9) . . ?
B10' B5' H5' 126.9(7) . . ?
B10' B5' B6' 59.16(7) . . ?
B10' B5' B9' 60.12(7) . . ?
C1' B6' B5' 57.27(6) . . ?
C1' B6' H6' 118.8(7) . . ?
C1' B6' B10' 104.45(8) . . ?
C1' B6' B11' 106.08(8) . . ?
C2' B6' C1' 60.04(6) . . ?
C2' B6' B5' 106.27(8) . . ?
C2' B6' H6' 119.4(7) . . ?
C2' B6' B10' 105.58(8) . . ?
C2' B6' B11' 58.23(7) . . ?
B5' B6' H6' 122.2(7) . . ?
B10' B6' B5' 60.20(7) . . ?
B10' B6' H6' 128.4(7) . . ?
B10' B6' B11' 60.45(7) . . ?
B11' B6' B5' 108.55(9) . . ?
B11' B6' H6' 124.5(7) . . ?
C2' B7' B3' 59.74(7) . . ?
C2' B7' H7' 117.2(7) . . ?
C2' B7' B8' 106.38(8) . . ?
C2' B7' B11' 58.65(7) . . ?
C2' B7' B12' 105.66(8) . . ?
B3' B7' H7' 118.0(7) . . ?
B8' B7' B3' 59.47(7) . . ?
B8' B7' H7' 125.6(7) . . ?
B11' B7' B3' 107.97(8) . . ?
B11' B7' H7' 120.8(7) . . ?
B11' B7' B8' 108.79(9) . . ?
B11' B7' B12' 60.13(7) . . ?
B12' B7' B3' 107.67(9) . . ?
B12' B7' H7' 128.3(7) . . ?
B12' B7' B8' 60.57(7) . . ?
B3' B8' B7' 60.41(7) . . ?
B3' B8' H8' 119.8(7) . . ?
B3' B8' B9' 107.35(9) . . ?
B3' B8' B12' 107.56(9) . . ?
B4' B8' B3' 60.38(7) . . ?
B4' B8' B7' 108.81(8) . . ?
B4' B8' H8' 121.3(7) . . ?
B4' B8' B9' 59.67(7) . . ?
B4' B8' B12' 107.83(9) . . ?
B7' B8' H8' 120.4(7) . . ?
B7' B8' B9' 107.27(9) . . ?
B7' B8' B12' 59.49(7) . . ?
B9' B8' H8' 124.4(7) . . ?
B9' B8' B12' 59.57(7) . . ?
B12' B8' H8' 123.3(7) . . ?
B4' B9' B5' 60.13(7) . . ?
B4' B9' B8' 59.60(7) . . ?
B4' B9' H9' 121.7(8) . . ?
B4' B9' B10' 108.28(9) . . ?
B4' B9' B12' 108.38(9) . . ?
B5' B9' B8' 107.60(9) . . ?
B5' B9' H9' 119.4(7) . . ?
B5' B9' B10' 59.90(7) . . ?
B8' B9' H9' 124.4(7) . . ?
B10' B9' B8' 108.22(8) . . ?
B10' B9' H9' 119.8(8) . . ?
B12' B9' B5' 108.25(9) . . ?
B12' B9' B8' 60.33(7) . . ?
B12' B9' H9' 122.7(8) . . ?
B12' B9' B10' 60.35(7) . . ?
B5' B10' B9' 59.97(7) . . ?
B5' B10' H10' 120.3(8) . . ?
B5' B10' B11' 108.76(9) . . ?
B5' B10' B12' 107.76(9) . . ?
B6' B10' B5' 60.64(7) . . ?
B6' B10' B9' 108.31(9) . . ?
B6' B10' H10' 120.2(7) . . ?
B6' B10' B11' 60.27(7) . . ?
B6' B10' B12' 107.74(9) . . ?
B9' B10' H10' 122.5(7) . . ?
B9' B10' B11' 107.84(9) . . ?
B9' B10' B12' 59.66(7) . . ?
B11' B10' H10' 121.8(8) . . ?
B11' B10' B12' 59.63(7) . . ?
B12' B10' H10' 123.6(7) . . ?
C2' B11' B6' 59.15(7) . . ?
C2' B11' B7' 58.60(7) . . ?
C2' B11' B10' 105.37(9) . . ?
C2' B11' H11' 116.8(7) . . ?
C2' B11' B12' 105.45(9) . . ?
B6' B11' B10' 59.27(7) . . ?
B6' B11' H11' 118.4(7) . . ?
B7' B11' B6' 107.32(9) . . ?
B7' B11' B10' 107.86(9) . . ?
B7' B11' H11' 120.5(7) . . ?
B7' B11' B12' 59.91(7) . . ?
B10' B11' H11' 127.2(7) . . ?
B12' B11' B6' 107.56(9) . . ?
B12' B11' B10' 60.41(7) . . ?
B12' B11' H11' 128.6(7) . . ?
B7' B12' B8' 59.94(7) . . ?
B7' B12' B9' 108.05(9) . . ?
B7' B12' B10' 107.55(9) . . ?
B7' B12' B11' 59.96(7) . . ?
B7' B12' H12' 120.1(7) . . ?
B8' B12' H12' 121.7(7) . . ?
B9' B12' B8' 60.11(7) . . ?
B9' B12' B10' 59.99(7) . . ?
B9' B12' H12' 123.3(7) . . ?
B10' B12' B8' 107.76(9) . . ?
B10' B12' H12' 123.2(7) . . ?
B11' B12' B8' 108.14(9) . . ?
B11' B12' B9' 108.37(9) . . ?
B11' B12' B10' 59.96(7) . . ?
B11' B12' H12' 120.4(7) . . ?
C22' C21' C2' 119.20(9) . . ?
C26' C21' C2' 121.78(9) . . ?
C26' C21' C22' 118.95(10) . . ?
C21' C22' H22' 119.9 . . ?
C23' C22' C21' 120.27(10) . . ?
C23' C22' H22' 119.9 . . ?
C22' C23' H23' 119.8 . . ?
C24' C23' C22' 120.42(11) . . ?
C24' C23' H23' 119.8 . . ?
C23' C24' H24' 120.2 . . ?
C25' C24' C23' 119.52(10) . . ?
C25' C24' H24' 120.2 . . ?
C24' C25' H25' 119.8 . . ?
C24' C25' C26' 120.38(10) . . ?
C26' C25' H25' 119.8 . . ?
C21' C26' C25' 120.45(10) . . ?
C21' C26' H26' 119.8 . . ?
C25' C26' H26' 119.8 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1 H1 O1 0.783(16) 2.504(15) 3.0841(14) 132.1(13) 2_765
O1 H1A O1' 0.899(15) 2.040(15) 2.9218(12) 166.4(13) 2_675
O1' H1'A N1' 0.844(15) 2.153(15) 2.9418(13) 155.4(13) 2_575

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
C1 C2 B3 B4 35.94(7) . . . . ?
C1 C2 B3 B7 137.62(8) . . . . ?
C1 C2 B3 B8 98.58(9) . . . . ?
C1 C2 B6 B5 -36.20(8) . . . . ?
C1 C2 B6 B10 -98.74(9) . . . . ?
C1 C2 B6 B11 -137.27(8) . . . . ?
C1 C2 B7 B3 -38.11(8) . . . . ?
C1 C2 B7 B8 0.50(11) . . . . ?
C1 C2 B7 B11 102.34(9) . . . . ?
C1 C2 B7 B12 63.47(10) . . . . ?
C1 C2 B11 B6 38.38(8) . . . . ?
C1 C2 B11 B7 -102.39(9) . . . . ?
C1 C2 B11 B10 -0.04(11) . . . . ?
C1 C2 B11 B12 -63.46(10) . . . . ?
C1 C2 C21 C22 69.60(13) . . . . ?
C1 C2 C21 C26 -113.04(11) . . . . ?
C1 B3 B4 B5 34.33(8) . . . . ?
C1 B3 B4 B8 135.54(9) . . . . ?
C1 B3 B4 B9 97.42(9) . . . . ?
C1 B3 B7 C2 37.47(7) . . . . ?
C1 B3 B7 B8 -98.30(9) . . . . ?
C1 B3 B7 B11 2.65(11) . . . . ?
C1 B3 B7 B12 -60.55(10) . . . . ?
C1 B3 B8 B4 -37.95(8) . . . . ?
C1 B3 B8 B7 100.43(9) . . . . ?
C1 B3 B8 B9 0.12(11) . . . . ?
C1 B3 B8 B12 63.05(10) . . . . ?
C1 B4 B5 B6 34.23(8) . . . . ?
C1 B4 B5 B9 134.99(9) . . . . ?
C1 B4 B5 B10 97.32(9) . . . . ?
C1 B4 B8 B3 38.69(8) . . . . ?
C1 B4 B8 B7 1.24(12) . . . . ?
C1 B4 B8 B9 -98.65(9) . . . . ?
C1 B4 B8 B12 -61.81(10) . . . . ?
C1 B4 B9 B5 -38.66(8) . . . . ?
C1 B4 B9 B8 99.71(9) . . . . ?
C1 B4 B9 B10 -1.53(12) . . . . ?
C1 B4 B9 B12 62.47(11) . . . . ?
C1 B5 B6 C2 37.11(8) . . . . ?
C1 B5 B6 B10 135.57(9) . . . . ?
C1 B5 B6 B11 98.31(9) . . . . ?
C1 B5 B9 B4 38.62(8) . . . . ?
C1 B5 B9 B8 1.56(11) . . . . ?
C1 B5 B9 B10 -99.64(9) . . . . ?
C1 B5 B9 B12 -62.31(11) . . . . ?
C1 B5 B10 B6 -38.57(8) . . . . ?
C1 B5 B10 B9 98.81(9) . . . . ?
C1 B5 B10 B11 -0.89(12) . . . . ?
C1 B5 B10 B12 62.11(10) . . . . ?
C1 B6 B10 B5 38.01(8) . . . . ?
C1 B6 B10 B9 0.09(11) . . . . ?
C1 B6 B10 B11 -100.30(9) . . . . ?
C1 B6 B10 B12 -62.67(10) . . . . ?
C1 B6 B11 C2 -37.83(7) . . . . ?
C1 B6 B11 B7 -3.34(11) . . . . ?
C1 B6 B11 B10 98.28(9) . . . . ?
C1 B6 B11 B12 60.02(10) . . . . ?
N1 C1 C2 B3 110.62(10) . . . . ?
N1 C1 C2 B6 -103.46(10) . . . . ?
N1 C1 C2 B7 149.91(9) . . . . ?
N1 C1 C2 B11 -143.15(9) . . . . ?
N1 C1 C2 C21 1.45(13) . . . . ?
N1 C1 B3 C2 -104.91(10) . . . . ?
N1 C1 B3 B4 116.63(11) . . . . ?
N1 C1 B3 B7 -141.50(9) . . . . ?
N1 C1 B3 B8 155.50(9) . . . . ?
N1 C1 B4 B3 -108.44(12) . . . . ?
N1 C1 B4 B5 110.61(12) . . . . ?
N1 C1 B4 B8 -147.29(10) . . . . ?
N1 C1 B4 B9 149.89(10) . . . . ?
N1 C1 B5 B4 -116.29(11) . . . . ?
N1 C1 B5 B6 102.42(11) . . . . ?
N1 C1 B5 B9 -155.69(9) . . . . ?
N1 C1 B5 B10 141.28(10) . . . . ?
N1 C1 B6 C2 107.55(10) . . . . ?
N1 C1 B6 B5 -114.19(10) . . . . ?
N1 C1 B6 B10 -153.01(9) . . . . ?
N1 C1 B6 B11 144.45(9) . . . . ?
C2 C1 N1 O1 -100.15(10) . . . . ?
C2 C1 B3 B4 -138.46(8) . . . . ?
C2 C1 B3 B7 -36.59(7) . . . . ?
C2 C1 B3 B8 -99.59(9) . . . . ?
C2 C1 B4 B3 37.90(8) . . . . ?
C2 C1 B4 B5 -103.04(9) . . . . ?
C2 C1 B4 B8 -0.95(11) . . . . ?
C2 C1 B4 B9 -63.76(10) . . . . ?
C2 C1 B5 B4 103.30(9) . . . . ?
C2 C1 B5 B6 -37.99(8) . . . . ?
C2 C1 B5 B9 63.90(10) . . . . ?
C2 C1 B5 B10 0.87(11) . . . . ?
C2 C1 B6 B5 138.25(9) . . . . ?
C2 C1 B6 B10 99.44(9) . . . . ?
C2 C1 B6 B11 36.89(7) . . . . ?
C2 B3 B4 C1 -36.84(8) . . . . ?
C2 B3 B4 B5 -2.51(11) . . . . ?
C2 B3 B4 B8 98.70(9) . . . . ?
C2 B3 B4 B9 60.57(11) . . . . ?
C2 B3 B7 B8 -135.77(9) . . . . ?
C2 B3 B7 B11 -34.82(8) . . . . ?
C2 B3 B7 B12 -98.02(9) . . . . ?
C2 B3 B8 B4 -100.45(9) . . . . ?
C2 B3 B8 B7 37.94(8) . . . . ?
C2 B3 B8 B9 -62.38(10) . . . . ?
C2 B3 B8 B12 0.56(11) . . . . ?
C2 B6 B10 B5 100.65(9) . . . . ?
C2 B6 B10 B9 62.73(10) . . . . ?
C2 B6 B10 B11 -37.66(8) . . . . ?
C2 B6 B10 B12 -0.03(11) . . . . ?
C2 B6 B11 B7 34.48(8) . . . . ?
C2 B6 B11 B10 136.11(9) . . . . ?
C2 B6 B11 B12 97.85(9) . . . . ?
C2 B7 B8 B3 -38.66(8) . . . . ?
C2 B7 B8 B4 -1.08(12) . . . . ?
C2 B7 B8 B9 62.35(11) . . . . ?
C2 B7 B8 B12 99.18(9) . . . . ?
C2 B7 B11 B6 -34.73(8) . . . . ?
C2 B7 B11 B10 -97.70(9) . . . . ?
C2 B7 B11 B12 -135.68(9) . . . . ?
C2 B7 B12 B8 -99.64(9) . . . . ?
C2 B7 B12 B9 -62.46(11) . . . . ?
C2 B7 B12 B10 0.99(11) . . . . ?
C2 B7 B12 B11 38.29(8) . . . . ?
C2 B11 B12 B7 -38.26(8) . . . . ?
C2 B11 B12 B8 -0.64(12) . . . . ?
C2 B11 B12 B9 62.82(11) . . . . ?
C2 B11 B12 B10 99.79(9) . . . . ?
C2 C21 C22 C23 176.71(10) . . . . ?
C2 C21 C26 C25 -176.20(11) . . . . ?
B3 C1 N1 O1 -31.17(13) . . . . ?
B3 C1 C2 B6 145.92(9) . . . . ?
B3 C1 C2 B7 39.29(8) . . . . ?
B3 C1 C2 B11 106.23(9) . . . . ?
B3 C1 C2 C21 -109.17(10) . . . . ?
B3 C1 B4 B5 -140.95(9) . . . . ?
B3 C1 B4 B8 -38.85(8) . . . . ?
B3 C1 B4 B9 -101.67(9) . . . . ?
B3 C1 B5 B4 37.82(9) . . . . ?
B3 C1 B5 B6 -103.47(9) . . . . ?
B3 C1 B5 B9 -1.58(11) . . . . ?
B3 C1 B5 B10 -64.61(11) . . . . ?
B3 C1 B6 C2 -31.65(8) . . . . ?
B3 C1 B6 B5 106.61(9) . . . . ?
B3 C1 B6 B10 67.79(10) . . . . ?
B3 C1 B6 B11 5.25(11) . . . . ?
B3 C2 B6 C1 31.30(8) . . . . ?
B3 C2 B6 B5 -4.90(11) . . . . ?
B3 C2 B6 B10 -67.44(10) . . . . ?
B3 C2 B6 B11 -105.97(9) . . . . ?
B3 C2 B7 B8 38.61(8) . . . . ?
B3 C2 B7 B11 140.45(9) . . . . ?
B3 C2 B7 B12 101.58(9) . . . . ?
B3 C2 B11 B6 102.89(9) . . . . ?
B3 C2 B11 B7 -37.89(8) . . . . ?
B3 C2 B11 B10 64.46(11) . . . . ?
B3 C2 B11 B12 1.05(12) . . . . ?
B3 C2 C21 C22 0.37(15) . . . . ?
B3 C2 C21 C26 177.73(10) . . . . ?
B3 B4 B5 C1 -34.61(8) . . . . ?
B3 B4 B5 B6 -0.38(11) . . . . ?
B3 B4 B5 B9 100.38(9) . . . . ?
B3 B4 B5 B10 62.70(10) . . . . ?
B3 B4 B8 B7 -37.45(8) . . . . ?
B3 B4 B8 B9 -137.34(9) . . . . ?
B3 B4 B8 B12 -100.50(9) . . . . ?
B3 B4 B9 B5 -100.59(9) . . . . ?
B3 B4 B9 B8 37.78(8) . . . . ?
B3 B4 B9 B10 -63.46(11) . . . . ?
B3 B4 B9 B12 0.54(12) . . . . ?
B3 B7 B8 B4 37.58(9) . . . . ?
B3 B7 B8 B9 101.01(10) . . . . ?
B3 B7 B8 B12 137.84(9) . . . . ?
B3 B7 B11 C2 35.16(8) . . . . ?
B3 B7 B11 B6 0.43(11) . . . . ?
B3 B7 B11 B10 -62.54(11) . . . . ?
B3 B7 B11 B12 -100.52(9) . . . . ?
B3 B7 B12 B8 -37.31(8) . . . . ?
B3 B7 B12 B9 -0.13(12) . . . . ?
B3 B7 B12 B10 63.32(11) . . . . ?
B3 B7 B12 B11 100.62(9) . . . . ?
B3 B8 B9 B4 -38.30(8) . . . . ?
B3 B8 B9 B5 -1.05(12) . . . . ?
B3 B8 B9 B10 62.09(11) . . . . ?
B3 B8 B9 B12 100.30(9) . . . . ?
B3 B8 B12 B7 37.66(8) . . . . ?
B3 B8 B12 B9 -100.84(10) . . . . ?
B3 B8 B12 B10 -63.01(11) . . . . ?
B3 B8 B12 B11 0.04(12) . . . . ?
B4 C1 N1 O1 44.55(14) . . . . ?
B4 C1 C2 B3 -39.00(8) . . . . ?
B4 C1 C2 B6 106.92(9) . . . . ?
B4 C1 C2 B7 0.29(11) . . . . ?
B4 C1 C2 B11 67.23(10) . . . . ?
B4 C1 C2 C21 -148.17(9) . . . . ?
B4 C1 B3 C2 138.46(8) . . . . ?
B4 C1 B3 B7 101.87(9) . . . . ?
B4 C1 B3 B8 38.87(8) . . . . ?
B4 C1 B5 B6 -141.29(9) . . . . ?
B4 C1 B5 B9 -39.40(8) . . . . ?
B4 C1 B5 B10 -102.43(10) . . . . ?
B4 C1 B6 C2 -100.57(9) . . . . ?
B4 C1 B6 B5 37.68(9) . . . . ?
B4 C1 B6 B10 -1.14(12) . . . . ?
B4 C1 B6 B11 -63.68(11) . . . . ?
B4 B3 B7 C2 98.49(9) . . . . ?
B4 B3 B7 B8 -37.28(8) . . . . ?
B4 B3 B7 B11 63.67(10) . . . . ?
B4 B3 B7 B12 0.47(11) . . . . ?
B4 B3 B8 B7 138.38(9) . . . . ?
B4 B3 B8 B9 38.07(8) . . . . ?
B4 B3 B8 B12 101.00(10) . . . . ?
B4 B5 B6 C1 -33.97(8) . . . . ?
B4 B5 B6 C2 3.14(11) . . . . ?
B4 B5 B6 B10 101.59(10) . . . . ?
B4 B5 B6 B11 64.33(11) . . . . ?
B4 B5 B9 B8 -37.06(8) . . . . ?
B4 B5 B9 B10 -138.26(9) . . . . ?
B4 B5 B9 B12 -100.93(10) . . . . ?
B4 B5 B10 B6 -99.91(9) . . . . ?
B4 B5 B10 B9 37.47(8) . . . . ?
B4 B5 B10 B11 -62.23(11) . . . . ?
B4 B5 B10 B12 0.77(11) . . . . ?
B4 B8 B9 B5 37.24(8) . . . . ?
B4 B8 B9 B10 100.38(9) . . . . ?
B4 B8 B9 B12 138.60(9) . . . . ?
B4 B8 B12 B7 101.51(9) . . . . ?
B4 B8 B12 B9 -36.99(8) . . . . ?
B4 B8 B12 B10 0.84(11) . . . . ?
B4 B8 B12 B11 63.90(11) . . . . ?
B4 B9 B10 B5 -37.32(8) . . . . ?
B4 B9 B10 B6 0.90(12) . . . . ?
B4 B9 B10 B11 64.68(11) . . . . ?
B4 B9 B10 B12 101.29(10) . . . . ?
B4 B9 B12 B7 -0.25(12) . . . . ?
B4 B9 B12 B8 36.95(8) . . . . ?
B4 B9 B12 B10 -100.63(10) . . . . ?
B4 B9 B12 B11 -63.80(12) . . . . ?
B5 C1 N1 O1 121.55(10) . . . . ?
B5 C1 C2 B3 -106.77(9) . . . . ?
B5 C1 C2 B6 39.15(8) . . . . ?
B5 C1 C2 B7 -67.48(10) . . . . ?
B5 C1 C2 B11 -0.54(11) . . . . ?
B5 C1 C2 C21 144.06(9) . . . . ?
B5 C1 B3 C2 100.53(9) . . . . ?
B5 C1 B3 B4 -37.93(8) . . . . ?
B5 C1 B3 B7 63.94(10) . . . . ?
B5 C1 B3 B8 0.94(11) . . . . ?
B5 C1 B4 B3 140.95(9) . . . . ?
B5 C1 B4 B8 102.10(9) . . . . ?
B5 C1 B4 B9 39.28(8) . . . . ?
B5 C1 B6 C2 -138.25(9) . . . . ?
B5 C1 B6 B10 -38.82(8) . . . . ?
B5 C1 B6 B11 -101.36(9) . . . . ?
B5 B4 B8 B3 100.13(9) . . . . ?
B5 B4 B8 B7 62.68(11) . . . . ?
B5 B4 B8 B9 -37.21(8) . . . . ?
B5 B4 B8 B12 -0.37(11) . . . . ?
B5 B4 B9 B8 138.37(9) . . . . ?
B5 B4 B9 B10 37.13(8) . . . . ?
B5 B4 B9 B12 101.13(10) . . . . ?
B5 B6 B10 B9 -37.92(9) . . . . ?
B5 B6 B10 B11 -138.31(9) . . . . ?
B5 B6 B10 B12 -100.68(10) . . . . ?
B5 B6 B11 C2 -98.91(9) . . . . ?
B5 B6 B11 B7 -64.43(10) . . . . ?
B5 B6 B11 B10 37.19(8) . . . . ?
B5 B6 B11 B12 -1.07(11) . . . . ?
B5 B9 B10 B6 38.23(8) . . . . ?
B5 B9 B10 B11 102.00(9) . . . . ?
B5 B9 B10 B12 138.61(9) . . . . ?
B5 B9 B12 B7 63.41(11) . . . . ?
B5 B9 B12 B8 100.61(9) . . . . ?
B5 B9 B12 B10 -36.96(8) . . . . ?
B5 B9 B12 B11 -0.14(12) . . . . ?
B5 B10 B11 C2 0.58(12) . . . . ?
B5 B10 B11 B6 -37.69(9) . . . . ?
B5 B10 B11 B7 62.19(11) . . . . ?
B5 B10 B11 B12 99.84(10) . . . . ?
B5 B10 B12 B7 -64.40(10) . . . . ?
B5 B10 B12 B8 -1.00(11) . . . . ?
B5 B10 B12 B9 36.84(8) . . . . ?
B5 B10 B12 B11 -101.85(9) . . . . ?
B6 C1 N1 O1 -167.06(8) . . . . ?
B6 C1 C2 B3 -145.92(9) . . . . ?
B6 C1 C2 B7 -106.63(9) . . . . ?
B6 C1 C2 B11 -39.69(8) . . . . ?
B6 C1 C2 C21 104.91(10) . . . . ?
B6 C1 B3 C2 31.61(8) . . . . ?
B6 C1 B3 B4 -106.85(9) . . . . ?
B6 C1 B3 B7 -4.98(11) . . . . ?
B6 C1 B3 B8 -67.98(10) . . . . ?
B6 C1 B4 B3 103.36(9) . . . . ?
B6 C1 B4 B5 -37.59(9) . . . . ?
B6 C1 B4 B8 64.51(11) . . . . ?
B6 C1 B4 B9 1.69(12) . . . . ?
B6 C1 B5 B4 141.29(9) . . . . ?
B6 C1 B5 B9 101.89(9) . . . . ?
B6 C1 B5 B10 38.86(8) . . . . ?
B6 C2 B3 C1 -31.29(8) . . . . ?
B6 C2 B3 B4 4.66(11) . . . . ?
B6 C2 B3 B7 106.34(9) . . . . ?
B6 C2 B3 B8 67.30(10) . . . . ?
B6 C2 B7 B3 -102.65(9) . . . . ?
B6 C2 B7 B8 -64.04(11) . . . . ?
B6 C2 B7 B11 37.80(8) . . . . ?
B6 C2 B7 B12 -1.07(11) . . . . ?
B6 C2 B11 B7 -140.78(9) . . . . ?
B6 C2 B11 B10 -38.42(8) . . . . ?
B6 C2 B11 B12 -101.84(9) . . . . ?
B6 C2 C21 C22 137.48(11) . . . . ?
B6 C2 C21 C26 -45.17(14) . . . . ?
B6 B5 B9 B4 100.41(9) . . . . ?
B6 B5 B9 B8 63.35(11) . . . . ?
B6 B5 B9 B10 -37.85(8) . . . . ?
B6 B5 B9 B12 -0.52(12) . . . . ?
B6 B5 B10 B9 137.38(9) . . . . ?
B6 B5 B10 B11 37.68(9) . . . . ?
B6 B5 B10 B12 100.68(9) . . . . ?
B6 B10 B11 C2 38.27(8) . . . . ?
B6 B10 B11 B7 99.88(9) . . . . ?
B6 B10 B11 B12 137.53(9) . . . . ?
B6 B10 B12 B7 -0.60(11) . . . . ?
B6 B10 B12 B8 62.81(10) . . . . ?
B6 B10 B12 B9 100.64(9) . . . . ?
B6 B10 B12 B11 -38.05(8) . . . . ?
B6 B11 B12 B7 -100.34(9) . . . . ?
B6 B11 B12 B8 -62.72(11) . . . . ?
B6 B11 B12 B9 0.74(12) . . . . ?
B6 B11 B12 B10 37.71(8) . . . . ?
B7 C2 B3 C1 -137.62(9) . . . . ?
B7 C2 B3 B4 -101.68(9) . . . . ?
B7 C2 B3 B8 -39.04(8) . . . . ?
B7 C2 B6 C1 99.44(9) . . . . ?
B7 C2 B6 B5 63.25(11) . . . . ?
B7 C2 B6 B10 0.70(11) . . . . ?
B7 C2 B6 B11 -37.83(8) . . . . ?
B7 C2 B11 B6 140.78(9) . . . . ?
B7 C2 B11 B10 102.35(9) . . . . ?
B7 C2 B11 B12 38.94(8) . . . . ?
B7 C2 C21 C22 -74.15(14) . . . . ?
B7 C2 C21 C26 103.20(13) . . . . ?
B7 B3 B4 C1 -98.04(9) . . . . ?
B7 B3 B4 B5 -63.71(11) . . . . ?
B7 B3 B4 B8 37.50(8) . . . . ?
B7 B3 B4 B9 -0.62(11) . . . . ?
B7 B3 B8 B4 -138.38(9) . . . . ?
B7 B3 B8 B9 -100.31(10) . . . . ?
B7 B3 B8 B12 -37.38(9) . . . . ?
B7 B8 B9 B4 -101.81(9) . . . . ?
B7 B8 B9 B5 -64.56(11) . . . . ?
B7 B8 B9 B10 -1.43(12) . . . . ?
B7 B8 B9 B12 36.79(8) . . . . ?
B7 B8 B12 B9 -138.50(9) . . . . ?
B7 B8 B12 B10 -100.67(9) . . . . ?
B7 B8 B12 B11 -37.62(9) . . . . ?
B7 B11 B12 B8 37.63(9) . . . . ?
B7 B11 B12 B9 101.09(10) . . . . ?
B7 B11 B12 B10 138.05(9) . . . . ?
B8 B3 B4 C1 -135.54(9) . . . . ?
B8 B3 B4 B5 -101.21(9) . . . . ?
B8 B3 B4 B9 -38.12(9) . . . . ?
B8 B3 B7 C2 135.77(9) . . . . ?
B8 B3 B7 B11 100.95(9) . . . . ?
B8 B3 B7 B12 37.75(9) . . . . ?
B8 B4 B5 C1 -97.57(9) . . . . ?
B8 B4 B5 B6 -63.33(10) . . . . ?
B8 B4 B5 B9 37.43(8) . . . . ?
B8 B4 B5 B10 -0.25(11) . . . . ?
B8 B4 B9 B5 -138.37(9) . . . . ?
B8 B4 B9 B10 -101.24(10) . . . . ?
B8 B4 B9 B12 -37.24(9) . . . . ?
B8 B7 B11 C2 97.89(9) . . . . ?
B8 B7 B11 B6 63.16(10) . . . . ?
B8 B7 B11 B10 0.19(11) . . . . ?
B8 B7 B11 B12 -37.79(8) . . . . ?
B8 B7 B12 B9 37.18(9) . . . . ?
B8 B7 B12 B10 100.63(10) . . . . ?
B8 B7 B12 B11 137.93(9) . . . . ?
B8 B9 B10 B5 -100.46(9) . . . . ?
B8 B9 B10 B6 -62.23(11) . . . . ?
B8 B9 B10 B11 1.54(12) . . . . ?
B8 B9 B10 B12 38.15(8) . . . . ?
B8 B9 B12 B7 -37.20(9) . . . . ?
B8 B9 B12 B10 -137.58(9) . . . . ?
B8 B9 B12 B11 -100.75(10) . . . . ?
B9 B4 B5 C1 -134.99(9) . . . . ?
B9 B4 B5 B6 -100.76(9) . . . . ?
B9 B4 B5 B10 -37.68(8) . . . . ?
B9 B4 B8 B3 137.34(9) . . . . ?
B9 B4 B8 B7 99.89(10) . . . . ?
B9 B4 B8 B12 36.84(8) . . . . ?
B9 B5 B6 C1 -97.33(9) . . . . ?
B9 B5 B6 C2 -60.22(11) . . . . ?
B9 B5 B6 B10 38.24(9) . . . . ?
B9 B5 B6 B11 0.98(11) . . . . ?
B9 B5 B10 B6 -137.38(9) . . . . ?
B9 B5 B10 B11 -99.70(10) . . . . ?
B9 B5 B10 B12 -36.70(8) . . . . ?
B9 B8 B12 B7 138.50(9) . . . . ?
B9 B8 B12 B10 37.84(8) . . . . ?
B9 B8 B12 B11 100.89(10) . . . . ?
B9 B10 B11 C2 -62.68(11) . . . . ?
B9 B10 B11 B6 -100.94(9) . . . . ?
B9 B10 B11 B7 -1.07(11) . . . . ?
B9 B10 B11 B12 36.59(8) . . . . ?
B9 B10 B12 B7 -101.24(9) . . . . ?
B9 B10 B12 B8 -37.84(8) . . . . ?
B9 B10 B12 B11 -138.69(9) . . . . ?
B10 B5 B6 C1 -135.57(9) . . . . ?
B10 B5 B6 C2 -98.46(9) . . . . ?
B10 B5 B6 B11 -37.26(8) . . . . ?
B10 B5 B9 B4 138.26(9) . . . . ?
B10 B5 B9 B8 101.20(9) . . . . ?
B10 B5 B9 B12 37.33(9) . . . . ?
B10 B6 B11 C2 -136.11(9) . . . . ?
B10 B6 B11 B7 -101.62(9) . . . . ?
B10 B6 B11 B12 -38.26(9) . . . . ?
B10 B9 B12 B7 100.37(9) . . . . ?
B10 B9 B12 B8 137.58(9) . . . . ?
B10 B9 B12 B11 36.83(8) . . . . ?
B10 B11 B12 B7 -138.05(9) . . . . ?
B10 B11 B12 B8 -100.42(10) . . . . ?
B10 B11 B12 B9 -36.97(9) . . . . ?
B11 C2 B3 C1 -99.60(9) . . . . ?
B11 C2 B3 B4 -63.66(11) . . . . ?
B11 C2 B3 B7 38.02(9) . . . . ?
B11 C2 B3 B8 -1.02(11) . . . . ?
B11 C2 B6 C1 137.27(8) . . . . ?
B11 C2 B6 B5 101.07(9) . . . . ?
B11 C2 B6 B10 38.53(8) . . . . ?
B11 C2 B7 B3 -140.45(9) . . . . ?
B11 C2 B7 B8 -101.84(9) . . . . ?
B11 C2 B7 B12 -38.87(8) . . . . ?
B11 C2 C21 C22 -150.20(10) . . . . ?
B11 C2 C21 C26 27.16(15) . . . . ?
B11 B6 B10 B5 138.31(9) . . . . ?
B11 B6 B10 B9 100.39(10) . . . . ?
B11 B6 B10 B12 37.63(8) . . . . ?
B11 B7 B8 B3 -100.25(9) . . . . ?
B11 B7 B8 B4 -62.67(11) . . . . ?
B11 B7 B8 B9 0.76(11) . . . . ?
B11 B7 B8 B12 37.59(8) . . . . ?
B11 B7 B12 B8 -137.93(9) . . . . ?
B11 B7 B12 B9 -100.75(10) . . . . ?
B11 B7 B12 B10 -37.30(8) . . . . ?
B11 B10 B12 B7 37.45(8) . . . . ?
B11 B10 B12 B8 100.86(9) . . . . ?
B11 B10 B12 B9 138.69(9) . . . . ?
B12 B7 B8 B3 -137.84(9) . . . . ?
B12 B7 B8 B4 -100.25(10) . . . . ?
B12 B7 B8 B9 -36.82(9) . . . . ?
B12 B7 B11 C2 135.68(9) . . . . ?
B12 B7 B11 B6 100.95(9) . . . . ?
B12 B7 B11 B10 37.98(8) . . . . ?
B12 B8 B9 B4 -138.60(9) . . . . ?
B12 B8 B9 B5 -101.36(9) . . . . ?
B12 B8 B9 B10 -38.22(8) . . . . ?
B12 B9 B10 B5 -138.61(9) . . . . ?
B12 B9 B10 B6 -100.38(10) . . . . ?
B12 B9 B10 B11 -36.61(8) . . . . ?
B12 B10 B11 C2 -99.26(9) . . . . ?
B12 B10 B11 B6 -137.53(9) . . . . ?
B12 B10 B11 B7 -37.66(8) . . . . ?
C21 C2 B3 C1 107.57(10) . . . . ?
C21 C2 B3 B4 143.51(9) . . . . ?
C21 C2 B3 B7 -114.81(11) . . . . ?
C21 C2 B3 B8 -153.85(9) . . . . ?
C21 C2 B6 C1 -109.09(10) . . . . ?
C21 C2 B6 B5 -145.29(9) . . . . ?
C21 C2 B6 B10 152.17(9) . . . . ?
C21 C2 B6 B11 113.64(10) . . . . ?
C21 C2 B7 B3 108.38(11) . . . . ?
C21 C2 B7 B8 146.99(10) . . . . ?
C21 C2 B7 B11 -111.17(11) . . . . ?
C21 C2 B7 B12 -150.04(10) . . . . ?
C21 C2 B11 B6 -104.93(11) . . . . ?
C21 C2 B11 B7 114.29(11) . . . . ?
C21 C2 B11 B10 -143.35(10) . . . . ?
C21 C2 B11 B12 153.23(10) . . . . ?
C21 C22 C23 C24 -0.48(18) . . . . ?
C22 C21 C26 C25 1.23(17) . . . . ?
C22 C23 C24 C25 1.04(18) . . . . ?
C23 C24 C25 C26 -0.46(19) . . . . ?
C24 C25 C26 C21 -0.68(19) . . . . ?
C26 C21 C22 C23 -0.65(17) . . . . ?
C1' C2' B3' B4' 36.68(8) . . . . ?
C1' C2' B3' B7' 137.59(8) . . . . ?
C1' C2' B3' B8' 99.20(9) . . . . ?
C1' C2' B6' B5' -35.08(7) . . . . ?
C1' C2' B6' B10' -97.94(9) . . . . ?
C1' C2' B6' B11' -137.15(8) . . . . ?
C1' C2' B7' B3' -37.56(8) . . . . ?
C1' C2' B7' B8' 0.78(11) . . . . ?
C1' C2' B7' B11' 103.13(9) . . . . ?
C1' C2' B7' B12' 64.06(10) . . . . ?
C1' C2' B11' B6' 38.93(8) . . . . ?
C1' C2' B11' B7' -101.50(8) . . . . ?
C1' C2' B11' B10' 0.32(11) . . . . ?
C1' C2' B11' B12' -62.59(10) . . . . ?
C1' C2' C21' C22' 112.22(11) . . . . ?
C1' C2' C21' C26' -70.70(13) . . . . ?
C1' B3' B4' B5' 33.21(8) . . . . ?
C1' B3' B4' B8' 135.38(9) . . . . ?
C1' B3' B4' B9' 96.64(9) . . . . ?
C1' B3' B7' C2' 37.55(7) . . . . ?
C1' B3' B7' B8' -98.75(9) . . . . ?
C1' B3' B7' B11' 2.89(11) . . . . ?
C1' B3' B7' B12' -60.62(10) . . . . ?
C1' B3' B8' B4' -38.52(8) . . . . ?
C1' B3' B8' B7' 100.02(9) . . . . ?
C1' B3' B8' B9' -0.37(11) . . . . ?
C1' B3' B8' B12' 62.39(10) . . . . ?
C1' B4' B5' B6' 35.08(8) . . . . ?
C1' B4' B5' B9' 134.72(9) . . . . ?
C1' B4' B5' B10' 97.69(9) . . . . ?
C1' B4' B8' B3' 38.31(8) . . . . ?
C1' B4' B8' B7' 0.85(12) . . . . ?
C1' B4' B8' B9' -98.59(9) . . . . ?
C1' B4' B8' B12' -62.16(10) . . . . ?
C1' B4' B9' B5' -38.46(8) . . . . ?
C1' B4' B9' B8' 99.37(9) . . . . ?
C1' B4' B9' B10' -1.46(11) . . . . ?
C1' B4' B9' B12' 62.48(10) . . . . ?
C1' B5' B6' C2' 36.29(8) . . . . ?
C1' B5' B6' B10' 135.22(9) . . . . ?
C1' B5' B6' B11' 97.56(9) . . . . ?
C1' B5' B9' B4' 39.12(8) . . . . ?
C1' B5' B9' B8' 1.71(11) . . . . ?
C1' B5' B9' B10' -99.55(9) . . . . ?
C1' B5' B9' B12' -62.04(11) . . . . ?
C1' B5' B10' B6' -39.17(8) . . . . ?
C1' B5' B10' B9' 98.68(9) . . . . ?
C1' B5' B10' B11' -1.54(11) . . . . ?
C1' B5' B10' B12' 61.60(10) . . . . ?
C1' B6' B10' B5' 37.73(8) . . . . ?
C1' B6' B10' B9' -0.01(11) . . . . ?
C1' B6' B10' B11' -100.53(9) . . . . ?
C1' B6' B10' B12' -63.08(10) . . . . ?
C1' B6' B11' C2' -37.82(7) . . . . ?
C1' B6' B11' B7' -3.10(10) . . . . ?
C1' B6' B11' B10' 97.76(9) . . . . ?
C1' B6' B11' B12' 60.01(10) . . . . ?
N1' C1' C2' B3' 103.56(10) . . . . ?
N1' C1' C2' B6' -110.38(10) . . . . ?
N1' C1' C2' B7' 142.74(9) . . . . ?
N1' C1' C2' B11' -150.31(9) . . . . ?
N1' C1' C2' C21' -0.76(14) . . . . ?
N1' C1' B3' C2' -112.26(9) . . . . ?
N1' C1' B3' B4' 109.60(10) . . . . ?
N1' C1' B3' B7' -148.68(9) . . . . ?
N1' C1' B3' B8' 148.61(9) . . . . ?
N1' C1' B4' B3' -105.51(10) . . . . ?
N1' C1' B4' B5' 112.77(10) . . . . ?
N1' C1' B4' B8' -144.50(9) . . . . ?
N1' C1' B4' B9' 152.41(9) . . . . ?
N1' C1' B5' B4' -107.56(11) . . . . ?
N1' C1' B5' B6' 111.59(11) . . . . ?
N1' C1' B5' B9' -146.95(10) . . . . ?
N1' C1' B5' B10' 150.47(9) . . . . ?
N1' C1' B6' C2' 109.35(10) . . . . ?
N1' C1' B6' B5' -111.63(11) . . . . ?
N1' C1' B6' B10' -150.77(9) . . . . ?
N1' C1' B6' B11' 146.34(9) . . . . ?
C2' C1' N1' O1' 84.09(11) . . . . ?
C2' C1' B3' B4' -138.13(9) . . . . ?
C2' C1' B3' B7' -36.42(7) . . . . ?
C2' C1' B3' B8' -99.13(9) . . . . ?
C2' C1' B4' B3' 38.61(8) . . . . ?
C2' C1' B4' B5' -103.10(9) . . . . ?
C2' C1' B4' B8' -0.37(11) . . . . ?
C2' C1' B4' B9' -63.46(10) . . . . ?
C2' C1' B5' B4' 103.72(9) . . . . ?
C2' C1' B5' B6' -37.14(8) . . . . ?
C2' C1' B5' B9' 64.33(10) . . . . ?
C2' C1' B5' B10' 1.75(11) . . . . ?
C2' C1' B6' B5' 139.02(9) . . . . ?
C2' C1' B6' B10' 99.88(9) . . . . ?
C2' C1' B6' B11' 37.00(7) . . . . ?
C2' B3' B4' C1' -37.34(8) . . . . ?
C2' B3' B4' B5' -4.13(11) . . . . ?
C2' B3' B4' B8' 98.04(9) . . . . ?
C2' B3' B4' B9' 59.29(10) . . . . ?
C2' B3' B7' B8' -136.30(9) . . . . ?
C2' B3' B7' B11' -34.66(7) . . . . ?
C2' B3' B7' B12' -98.17(9) . . . . ?
C2' B3' B8' B4' -101.25(9) . . . . ?
C2' B3' B8' B7' 37.29(8) . . . . ?
C2' B3' B8' B9' -63.09(10) . . . . ?
C2' B3' B8' B12' -0.33(11) . . . . ?
C2' B6' B10' B5' 100.11(9) . . . . ?
C2' B6' B10' B9' 62.38(11) . . . . ?
C2' B6' B10' B11' -38.15(8) . . . . ?
C2' B6' B10' B12' -0.70(11) . . . . ?
C2' B6' B11' B7' 34.72(8) . . . . ?
C2' B6' B11' B10' 135.58(9) . . . . ?
C2' B6' B11' B12' 97.83(9) . . . . ?
C2' B7' B8' B3' -38.46(8) . . . . ?
C2' B7' B8' B4' -1.01(12) . . . . ?
C2' B7' B8' B9' 62.06(11) . . . . ?
C2' B7' B8' B12' 99.04(9) . . . . ?
C2' B7' B11' B6' -34.95(7) . . . . ?
C2' B7' B11' B10' -97.44(9) . . . . ?
C2' B7' B11' B12' -135.59(9) . . . . ?
C2' B7' B12' B8' -100.26(9) . . . . ?
C2' B7' B12' B9' -62.85(11) . . . . ?
C2' B7' B12' B10' 0.50(11) . . . . ?
C2' B7' B12' B11' 38.36(8) . . . . ?
C2' B11' B12' B7' -38.29(8) . . . . ?
C2' B11' B12' B8' -1.28(11) . . . . ?
C2' B11' B12' B9' 62.38(11) . . . . ?
C2' B11' B12' B10' 99.17(9) . . . . ?
C2' C21' C22' C23' 176.92(11) . . . . ?
C2' C21' C26' C25' -176.81(10) . . . . ?
B3' C1' N1' O1' 153.67(8) . . . . ?
B3' C1' C2' B6' 146.06(9) . . . . ?
B3' C1' C2' B7' 39.19(8) . . . . ?
B3' C1' C2' B11' 106.13(9) . . . . ?
B3' C1' C2' C21' -104.31(10) . . . . ?
B3' C1' B4' B5' -141.71(9) . . . . ?
B3' C1' B4' B8' -38.99(8) . . . . ?
B3' C1' B4' B9' -102.07(9) . . . . ?
B3' C1' B5' B4' 37.30(9) . . . . ?
B3' C1' B5' B6' -103.55(9) . . . . ?
B3' C1' B5' B9' -2.09(12) . . . . ?
B3' C1' B5' B10' -64.66(11) . . . . ?
B3' C1' B6' C2' -31.81(8) . . . . ?
B3' C1' B6' B5' 107.22(9) . . . . ?
B3' C1' B6' B10' 68.08(10) . . . . ?
B3' C1' B6' B11' 5.19(11) . . . . ?
B3' C2' B6' C1' 30.83(8) . . . . ?
B3' C2' B6' B5' -4.25(11) . . . . ?
B3' C2' B6' B10' -67.11(10) . . . . ?
B3' C2' B6' B11' -106.32(9) . . . . ?
B3' C2' B7' B8' 38.34(8) . . . . ?
B3' C2' B7' B11' 140.69(8) . . . . ?
B3' C2' B7' B12' 101.63(9) . . . . ?
B3' C2' B11' B6' 102.64(9) . . . . ?
B3' C2' B11' B7' -37.79(8) . . . . ?
B3' C2' B11' B10' 64.04(11) . . . . ?
B3' C2' B11' B12' 1.12(11) . . . . ?
B3' C2' C21' C22' 45.30(13) . . . . ?
B3' C2' C21' C26' -137.62(10) . . . . ?
B3' B4' B5' C1' -33.44(8) . . . . ?
B3' B4' B5' B6' 1.63(11) . . . . ?
B3' B4' B5' B9' 101.27(9) . . . . ?
B3' B4' B5' B10' 64.24(10) . . . . ?
B3' B4' B8' B7' -37.46(8) . . . . ?
B3' B4' B8' B9' -136.90(9) . . . . ?
B3' B4' B8' B12' -100.47(9) . . . . ?
B3' B4' B9' B5' -99.48(9) . . . . ?
B3' B4' B9' B8' 38.34(8) . . . . ?
B3' B4' B9' B10' -62.49(11) . . . . ?
B3' B4' B9' B12' 1.45(11) . . . . ?
B3' B7' B8' B4' 37.45(8) . . . . ?
B3' B7' B8' B9' 100.52(9) . . . . ?
B3' B7' B8' B12' 137.51(9) . . . . ?
B3' B7' B11' C2' 35.12(8) . . . . ?
B3' B7' B11' B6' 0.17(11) . . . . ?
B3' B7' B11' B10' -62.33(11) . . . . ?
B3' B7' B11' B12' -100.47(9) . . . . ?
B3' B7' B12' B8' -37.64(8) . . . . ?
B3' B7' B12' B9' -0.23(11) . . . . ?
B3' B7' B12' B10' 63.12(11) . . . . ?
B3' B7' B12' B11' 100.98(9) . . . . ?
B3' B8' B9' B4' -38.48(8) . . . . ?
B3' B8' B9' B5' -0.84(12) . . . . ?
B3' B8' B9' B10' 62.45(11) . . . . ?
B3' B8' B9' B12' 100.55(9) . . . . ?
B3' B8' B12' B7' 38.03(8) . . . . ?
B3' B8' B12' B9' -100.19(9) . . . . ?
B3' B8' B12' B10' -62.36(10) . . . . ?
B3' B8' B12' B11' 1.01(11) . . . . ?
B4' C1' N1' O1' -135.30(9) . . . . ?
B4' C1' C2' B3' -39.45(8) . . . . ?
B4' C1' C2' B6' 106.62(9) . . . . ?
B4' C1' C2' B7' -0.26(11) . . . . ?
B4' C1' C2' B11' 66.69(10) . . . . ?
B4' C1' C2' C21' -143.76(9) . . . . ?
B4' C1' B3' C2' 138.13(9) . . . . ?
B4' C1' B3' B7' 101.72(9) . . . . ?
B4' C1' B3' B8' 39.00(8) . . . . ?
B4' C1' B5' B6' -140.85(9) . . . . ?
B4' C1' B5' B9' -39.39(8) . . . . ?
B4' C1' B5' B10' -101.97(9) . . . . ?
B4' C1' B6' C2' -100.88(9) . . . . ?
B4' C1' B6' B5' 38.14(8) . . . . ?
B4' C1' B6' B10' -0.99(11) . . . . ?
B4' C1' B6' B11' -63.88(10) . . . . ?
B4' B3' B7' C2' 99.30(9) . . . . ?
B4' B3' B7' B8' -37.00(8) . . . . ?
B4' B3' B7' B11' 64.64(10) . . . . ?
B4' B3' B7' B12' 1.13(11) . . . . ?
B4' B3' B8' B7' 138.54(9) . . . . ?
B4' B3' B8' B9' 38.16(8) . . . . ?
B4' B3' B8' B12' 100.92(9) . . . . ?
B4' B5' B6' C1' -34.78(8) . . . . ?
B4' B5' B6' C2' 1.51(11) . . . . ?
B4' B5' B6' B10' 100.45(10) . . . . ?
B4' B5' B6' B11' 62.79(11) . . . . ?
B4' B5' B9' B8' -37.41(8) . . . . ?
B4' B5' B9' B10' -138.66(9) . . . . ?
B4' B5' B9' B12' -101.16(10) . . . . ?
B4' B5' B10' B6' -101.06(9) . . . . ?
B4' B5' B10' B9' 36.80(8) . . . . ?
B4' B5' B10' B11' -63.42(11) . . . . ?
B4' B5' B10' B12' -0.28(11) . . . . ?
B4' B8' B9' B5' 37.65(8) . . . . ?
B4' B8' B9' B10' 100.93(9) . . . . ?
B4' B8' B9' B12' 139.03(9) . . . . ?
B4' B8' B12' B7' 101.75(9) . . . . ?
B4' B8' B12' B9' -36.47(8) . . . . ?
B4' B8' B12' B10' 1.36(11) . . . . ?
B4' B8' B12' B11' 64.73(10) . . . . ?
B4' B9' B10' B5' -37.10(8) . . . . ?
B4' B9' B10' B6' 0.93(12) . . . . ?
B4' B9' B10' B11' 64.69(11) . . . . ?
B4' B9' B10' B12' 101.20(9) . . . . ?
B4' B9' B12' B7' -0.76(12) . . . . ?
B4' B9' B12' B8' 36.58(8) . . . . ?
B4' B9' B12' B10' -101.01(9) . . . . ?
B4' B9' B12' B11' -64.23(11) . . . . ?
B5' C1' N1' O1' -61.60(12) . . . . ?
B5' C1' C2' B3' -107.48(9) . . . . ?
B5' C1' C2' B6' 38.58(8) . . . . ?
B5' C1' C2' B7' -68.30(10) . . . . ?
B5' C1' C2' B11' -1.35(11) . . . . ?
B5' C1' C2' C21' 148.20(9) . . . . ?
B5' C1' B3' C2' 100.70(9) . . . . ?
B5' C1' B3' B4' -37.43(9) . . . . ?
B5' C1' B3' B7' 64.29(11) . . . . ?
B5' C1' B3' B8' 1.58(12) . . . . ?
B5' C1' B4' B3' 141.71(9) . . . . ?
B5' C1' B4' B8' 102.73(10) . . . . ?
B5' C1' B4' B9' 39.64(8) . . . . ?
B5' C1' B6' C2' -139.02(9) . . . . ?
B5' C1' B6' B10' -39.14(8) . . . . ?
B5' C1' B6' B11' -102.03(9) . . . . ?
B5' B4' B8' B3' 98.93(9) . . . . ?
B5' B4' B8' B7' 61.47(11) . . . . ?
B5' B4' B8' B9' -37.97(8) . . . . ?
B5' B4' B8' B12' -1.54(11) . . . . ?
B5' B4' B9' B8' 137.83(9) . . . . ?
B5' B4' B9' B10' 37.00(8) . . . . ?
B5' B4' B9' B12' 100.94(9) . . . . ?
B5' B6' B10' B9' -37.73(8) . . . . ?
B5' B6' B10' B11' -138.26(9) . . . . ?
B5' B6' B10' B12' -100.81(10) . . . . ?
B5' B6' B11' C2' -98.04(9) . . . . ?
B5' B6' B11' B7' -63.32(10) . . . . ?
B5' B6' B11' B10' 37.55(8) . . . . ?
B5' B6' B11' B12' -0.20(11) . . . . ?
B5' B9' B10' B6' 38.03(8) . . . . ?
B5' B9' B10' B11' 101.79(9) . . . . ?
B5' B9' B10' B12' 138.30(9) . . . . ?
B5' B9' B12' B7' 62.95(11) . . . . ?
B5' B9' B12' B8' 100.28(10) . . . . ?
B5' B9' B12' B10' -37.31(8) . . . . ?
B5' B9' B12' B11' -0.53(12) . . . . ?
B5' B10' B11' C2' 0.75(11) . . . . ?
B5' B10' B11' B6' -37.80(8) . . . . ?
B5' B10' B11' B7' 62.12(11) . . . . ?
B5' B10' B11' B12' 100.04(10) . . . . ?
B5' B10' B12' B7' -63.89(11) . . . . ?
B5' B10' B12' B8' -0.66(11) . . . . ?
B5' B10' B12' B9' 37.22(8) . . . . ?
B5' B10' B12' B11' -101.76(9) . . . . ?
B6' C1' N1' O1' 13.50(13) . . . . ?
B6' C1' C2' B3' -146.06(9) . . . . ?
B6' C1' C2' B7' -106.88(9) . . . . ?
B6' C1' C2' B11' -39.93(8) . . . . ?
B6' C1' C2' C21' 109.62(10) . . . . ?
B6' C1' B3' C2' 31.35(8) . . . . ?
B6' C1' B3' B4' -106.78(9) . . . . ?
B6' C1' B3' B7' -5.07(11) . . . . ?
B6' C1' B3' B8' -67.78(10) . . . . ?
B6' C1' B4' B3' 103.63(9) . . . . ?
B6' C1' B4' B5' -38.09(9) . . . . ?
B6' C1' B4' B8' 64.64(11) . . . . ?
B6' C1' B4' B9' 1.56(11) . . . . ?
B6' C1' B5' B4' 140.85(9) . . . . ?
B6' C1' B5' B9' 101.46(9) . . . . ?
B6' C1' B5' B10' 38.89(8) . . . . ?
B6' C2' B3' C1' -31.37(8) . . . . ?
B6' C2' B3' B4' 5.32(11) . . . . ?
B6' C2' B3' B7' 106.23(9) . . . . ?
B6' C2' B3' B8' 67.83(10) . . . . ?
B6' C2' B7' B3' -102.62(9) . . . . ?
B6' C2' B7' B8' -64.28(11) . . . . ?
B6' C2' B7' B11' 38.07(8) . . . . ?
B6' C2' B7' B12' -1.00(12) . . . . ?
B6' C2' B11' B7' -140.43(8) . . . . ?
B6' C2' B11' B10' -38.60(8) . . . . ?
B6' C2' B11' B12' -101.52(9) . . . . ?
B6' C2' C21' C22' -177.58(10) . . . . ?
B6' C2' C21' C26' -0.50(15) . . . . ?
B6' B5' B9' B4' 101.56(9) . . . . ?
B6' B5' B9' B8' 64.15(11) . . . . ?
B6' B5' B9' B10' -37.11(8) . . . . ?
B6' B5' B9' B12' 0.40(12) . . . . ?
B6' B5' B10' B9' 137.85(9) . . . . ?
B6' B5' B10' B11' 37.63(8) . . . . ?
B6' B5' B10' B12' 100.77(9) . . . . ?
B6' B10' B11' C2' 38.54(8) . . . . ?
B6' B10' B11' B7' 99.92(9) . . . . ?
B6' B10' B11' B12' 137.84(9) . . . . ?
B6' B10' B12' B7' 0.13(12) . . . . ?
B6' B10' B12' B8' 63.36(11) . . . . ?
B6' B10' B12' B9' 101.24(10) . . . . ?
B6' B10' B12' B11' -37.73(8) . . . . ?
B6' B11' B12' B7' -100.22(9) . . . . ?
B6' B11' B12' B8' -63.20(11) . . . . ?
B6' B11' B12' B9' 0.45(12) . . . . ?
B6' B11' B12' B10' 37.24(8) . . . . ?
B7' C2' B3' C1' -137.59(8) . . . . ?
B7' C2' B3' B4' -100.91(9) . . . . ?
B7' C2' B3' B8' -38.40(8) . . . . ?
B7' C2' B6' C1' 99.02(9) . . . . ?
B7' C2' B6' B5' 63.95(11) . . . . ?
B7' C2' B6' B10' 1.08(11) . . . . ?
B7' C2' B6' B11' -38.12(8) . . . . ?
B7' C2' B11' B6' 140.43(8) . . . . ?
B7' C2' B11' B10' 101.83(9) . . . . ?
B7' C2' B11' B12' 38.91(8) . . . . ?
B7' C2' C21' C22' -26.71(15) . . . . ?
B7' C2' C21' C26' 150.37(10) . . . . ?
B7' B3' B4' C1' -98.23(9) . . . . ?
B7' B3' B4' B5' -65.02(10) . . . . ?
B7' B3' B4' B8' 37.15(8) . . . . ?
B7' B3' B4' B9' -1.59(11) . . . . ?
B7' B3' B8' B4' -138.54(9) . . . . ?
B7' B3' B8' B9' -100.38(9) . . . . ?
B7' B3' B8' B12' -37.62(8) . . . . ?
B7' B8' B9' B4' -102.08(9) . . . . ?
B7' B8' B9' B5' -64.44(11) . . . . ?
B7' B8' B9' B10' -1.15(12) . . . . ?
B7' B8' B9' B12' 36.95(8) . . . . ?
B7' B8' B12' B9' -138.22(9) . . . . ?
B7' B8' B12' B10' -100.40(9) . . . . ?
B7' B8' B12' B11' -37.02(8) . . . . ?
B7' B11' B12' B8' 37.02(8) . . . . ?
B7' B11' B12' B9' 100.67(10) . . . . ?
B7' B11' B12' B10' 137.46(9) . . . . ?
B8' B3' B4' C1' -135.38(9) . . . . ?
B8' B3' B4' B5' -102.17(10) . . . . ?
B8' B3' B4' B9' -38.75(8) . . . . ?
B8' B3' B7' C2' 136.30(9) . . . . ?
B8' B3' B7' B11' 101.64(9) . . . . ?
B8' B3' B7' B12' 38.13(8) . . . . ?
B8' B4' B5' C1' -96.55(9) . . . . ?
B8' B4' B5' B6' -61.47(11) . . . . ?
B8' B4' B5' B9' 38.17(8) . . . . ?
B8' B4' B5' B10' 1.14(11) . . . . ?
B8' B4' B9' B5' -137.83(9) . . . . ?
B8' B4' B9' B10' -100.83(9) . . . . ?
B8' B4' B9' B12' -36.89(8) . . . . ?
B8' B7' B11' C2' 98.14(9) . . . . ?
B8' B7' B11' B6' 63.19(10) . . . . ?
B8' B7' B11' B10' 0.69(12) . . . . ?
B8' B7' B11' B12' -37.45(8) . . . . ?
B8' B7' B12' B9' 37.41(8) . . . . ?
B8' B7' B12' B10' 100.76(10) . . . . ?
B8' B7' B12' B11' 138.62(9) . . . . ?
B8' B9' B10' B5' -100.21(9) . . . . ?
B8' B9' B10' B6' -62.18(11) . . . . ?
B8' B9' B10' B11' 1.58(12) . . . . ?
B8' B9' B10' B12' 38.09(8) . . . . ?
B8' B9' B12' B7' -37.34(8) . . . . ?
B8' B9' B12' B10' -137.59(9) . . . . ?
B8' B9' B12' B11' -100.81(9) . . . . ?
B9' B4' B5' C1' -134.72(9) . . . . ?
B9' B4' B5' B6' -99.64(10) . . . . ?
B9' B4' B5' B10' -37.03(8) . . . . ?
B9' B4' B8' B3' 136.90(9) . . . . ?
B9' B4' B8' B7' 99.44(10) . . . . ?
B9' B4' B8' B12' 36.43(8) . . . . ?
B9' B5' B6' C1' -97.68(9) . . . . ?
B9' B5' B6' C2' -61.40(11) . . . . ?
B9' B5' B6' B10' 37.54(8) . . . . ?
B9' B5' B6' B11' -0.12(11) . . . . ?
B9' B5' B10' B6' -137.85(9) . . . . ?
B9' B5' B10' B11' -100.22(10) . . . . ?
B9' B5' B10' B12' -37.08(8) . . . . ?
B9' B8' B12' B7' 138.22(9) . . . . ?
B9' B8' B12' B10' 37.83(8) . . . . ?
B9' B8' B12' B11' 101.20(9) . . . . ?
B9' B10' B11' C2' -62.77(11) . . . . ?
B9' B10' B11' B6' -101.32(10) . . . . ?
B9' B10' B11' B7' -1.40(12) . . . . ?
B9' B10' B11' B12' 36.52(8) . . . . ?
B9' B10' B12' B7' -101.11(10) . . . . ?
B9' B10' B12' B8' -37.88(8) . . . . ?
B9' B10' B12' B11' -138.97(9) . . . . ?
B10' B5' B6' C1' -135.22(9) . . . . ?
B10' B5' B6' C2' -98.93(9) . . . . ?
B10' B5' B6' B11' -37.66(8) . . . . ?
B10' B5' B9' B4' 138.66(9) . . . . ?
B10' B5' B9' B8' 101.26(9) . . . . ?
B10' B5' B9' B12' 37.50(8) . . . . ?
B10' B6' B11' C2' -135.58(9) . . . . ?
B10' B6' B11' B7' -100.86(9) . . . . ?
B10' B6' B11' B12' -37.75(8) . . . . ?
B10' B9' B12' B7' 100.25(9) . . . . ?
B10' B9' B12' B8' 137.59(9) . . . . ?
B10' B9' B12' B11' 36.78(8) . . . . ?
B10' B11' B12' B7' -137.46(9) . . . . ?
B10' B11' B12' B8' -100.45(10) . . . . ?
B10' B11' B12' B9' -36.79(9) . . . . ?
B11' C2' B3' C1' -99.70(9) . . . . ?
B11' C2' B3' B4' -63.02(11) . . . . ?
B11' C2' B3' B7' 37.89(8) . . . . ?
B11' C2' B3' B8' -0.51(11) . . . . ?
B11' C2' B6' C1' 137.15(8) . . . . ?
B11' C2' B6' B5' 102.07(9) . . . . ?
B11' C2' B6' B10' 39.20(8) . . . . ?
B11' C2' B7' B3' -140.69(8) . . . . ?
B11' C2' B7' B8' -102.36(9) . . . . ?
B11' C2' B7' B12' -39.07(8) . . . . ?
B11' C2' C21' C22' -102.62(12) . . . . ?
B11' C2' C21' C26' 74.46(14) . . . . ?
B11' B6' B10' B5' 138.26(9) . . . . ?
B11' B6' B10' B9' 100.53(9) . . . . ?
B11' B6' B10' B12' 37.45(8) . . . . ?
B11' B7' B8' B3' -100.24(9) . . . . ?
B11' B7' B8' B4' -62.79(11) . . . . ?
B11' B7' B8' B9' 0.28(12) . . . . ?
B11' B7' B8' B12' 37.26(8) . . . . ?
B11' B7' B12' B8' -138.62(9) . . . . ?
B11' B7' B12' B9' -101.21(10) . . . . ?
B11' B7' B12' B10' -37.87(8) . . . . ?
B11' B10' B12' B7' 37.87(8) . . . . ?
B11' B10' B12' B8' 101.10(9) . . . . ?
B11' B10' B12' B9' 138.97(9) . . . . ?
B12' B7' B8' B3' -137.51(9) . . . . ?
B12' B7' B8' B4' -100.06(10) . . . . ?
B12' B7' B8' B9' -36.98(8) . . . . ?
B12' B7' B11' C2' 135.59(9) . . . . ?
B12' B7' B11' B6' 100.64(9) . . . . ?
B12' B7' B11' B10' 38.15(8) . . . . ?
B12' B8' B9' B4' -139.03(9) . . . . ?
B12' B8' B9' B5' -101.39(9) . . . . ?
B12' B8' B9' B10' -38.10(9) . . . . ?
B12' B9' B10' B5' -138.30(9) . . . . ?
B12' B9' B10' B6' -100.27(9) . . . . ?
B12' B9' B10' B11' -36.51(8) . . . . ?
B12' B10' B11' C2' -99.30(9) . . . . ?
B12' B10' B11' B6' -137.84(9) . . . . ?
B12' B10' B11' B7' -37.92(8) . . . . ?
C21' C2' B3' C1' 109.20(10) . . . . ?
C21' C2' B3' B4' 145.89(9) . . . . ?
C21' C2' B3' B7' -113.20(10) . . . . ?
C21' C2' B3' B8' -151.60(9) . . . . ?
C21' C2' B6' C1' -108.03(10) . . . . ?
C21' C2' B6' B5' -143.11(9) . . . . ?
C21' C2' B6' B10' 154.03(9) . . . . ?
C21' C2' B6' B11' 114.82(10) . . . . ?
C21' C2' B7' B3' 104.88(10) . . . . ?
C21' C2' B7' B8' 143.21(10) . . . . ?
C21' C2' B7' B11' -114.43(11) . . . . ?
C21' C2' B7' B12' -153.50(9) . . . . ?
C21' C2' B11' B6' -108.84(11) . . . . ?
C21' C2' B11' B7' 110.73(11) . . . . ?
C21' C2' B11' B10' -147.44(10) . . . . ?
C21' C2' B11' B12' 149.65(9) . . . . ?
C21' C22' C23' C24' -0.08(18) . . . . ?
C22' C21' C26' C25' 0.28(16) . . . . ?
C22' C23' C24' C25' 0.35(18) . . . . ?
C23' C24' C25' C26' -0.31(18) . . . . ?
C24' C25' C26' C21' -0.01(17) . . . . ?
C26' C21' C22' C23' -0.24(17) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_5214
_database_code_depnum_ccdc_archive 'CCDC 1440367'
_audit_update_record             
;
2015-12-03 deposited with the CCDC.
2016-01-12 downloaded from the CCDC.
;
_audit_creation_date             2015-10-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C12 H27 B10 N O'
_chemical_formula_sum            'C12 H27 B10 N O'
_chemical_formula_weight         309.44
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.9847(18)
_cell_length_b                   16.213(3)
_cell_length_c                   20.179(3)
_cell_angle_alpha                87.624(6)
_cell_angle_beta                 88.802(5)
_cell_angle_gamma                71.721(5)
_cell_volume                     3719.8(10)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    6820
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      26.379
_cell_measurement_theta_min      2.374
_shelx_estimated_absorpt_T_max   0.984
_shelx_estimated_absorpt_T_min   0.972
_exptl_absorpt_coefficient_mu    0.059
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6711
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0577 before and 0.0462 after correction.
The Ratio of minimum to maximum transmission is 0.9003.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.105
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1312
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.28
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0377
_diffrn_reflns_av_unetI/netI     0.0705
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            30882
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.467
_diffrn_reflns_theta_min         2.456
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10171
_reflns_number_total             14855
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         0.210
_refine_diff_density_min         -0.247
_refine_diff_density_rms         0.044
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1009
_refine_ls_number_reflns         14855
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0825
_refine_ls_R_factor_gt           0.0483
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0538P)²+0.0295P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1033
_refine_ls_wR_factor_ref         0.1175
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C10C(H10A), C10A(H10G), C10D(H10E), C10B(H10B)
2.b Secondary CH2 refined with riding coordinates:
 C4C(H4CA,H4CB), C5C(H5CA,H5CB), C5D(H5DA,H5DB), C4A(H4AA,H4AB), C4D(H4DA,
 H4DB), C5A(H5AA,H5AB), C4B(H4BA,H4BB), C5B(H5BA,H5BB)
2.c Aromatic/amide H refined with riding coordinates:
 C7C(H7CA), C8C(H8CA), C8B(H8B), C8D(H8D), C8A(H8A), C7A(H7A), C7B(H7B),
 C7D(H7D)
2.d Idealised Me refined as rotating group:
 C9C(H9CA,H9CB,H9CC), C11C(H11A,H11B,H11D), C12C(H12A,H12B,H12D), C11D(H11I,
 H11J,H11K), C12A(H12M,H12N,H12O), C12D(H12I,H12J,H12K), C9A(H9AA,H9AB,H9AC),
 C11A(H11M,H11N,H11O), C9B(H9BA,H9BB,H9BC), C12B(H12E,H12F,H12G), C11B(H11E,
 H11F,H11G), C9D(H9DA,H9DB,H9DC)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
C1C C 0.51233(13) 0.63296(10) 0.35502(8) 0.0147(3) Uani 1 1 d . . . . .
N1C N 0.53038(11) 0.55683(8) 0.31451(6) 0.0148(3) Uani 1 1 d . . . . .
C2C C 0.36751(13) 0.67893(10) 0.37701(8) 0.0165(4) Uani 1 1 d . . . . .
H2C H 0.3194(14) 0.6458(10) 0.3617(8) 0.020 Uiso 1 1 d R . . . .
O2C O 0.53947(9) 0.58742(7) 0.24480(5) 0.0173(3) Uani 1 1 d . . . . .
B3C B 0.46458(15) 0.62288(13) 0.43697(9) 0.0170(4) Uani 1 1 d . . . . .
H3C H 0.4591(13) 0.5606(10) 0.4553(8) 0.020 Uiso 1 1 d R . . . .
C3C C 0.64730(13) 0.53600(10) 0.20792(8) 0.0175(4) Uani 1 1 d . . . . .
B4C B 0.59796(16) 0.64918(12) 0.41821(9) 0.0172(4) Uani 1 1 d . . . . .
H4C H 0.6831(14) 0.5989(10) 0.4271(8) 0.021 Uiso 1 1 d R . . . .
C4C C 0.63381(14) 0.44442(10) 0.20239(8) 0.0211(4) Uani 1 1 d . . . . .
H4CA H 0.7056 0.4043 0.1825 0.025 Uiso 1 1 calc R . . . .
H4CB H 0.5661 0.4477 0.1740 0.025 Uiso 1 1 calc R . . . .
B5C B 0.57378(16) 0.71616(12) 0.34309(10) 0.0184(4) Uani 1 1 d . . . . .
H5C H 0.6433(14) 0.7091(10) 0.3069(8) 0.022 Uiso 1 1 d R . . . .
C5C C 0.61378(14) 0.41135(10) 0.27377(8) 0.0200(4) Uani 1 1 d . . . . .
H5CA H 0.6688 0.3520 0.2819 0.024 Uiso 1 1 calc R . . . .
H5CB H 0.5327 0.4083 0.2779 0.024 Uiso 1 1 calc R . . . .
B6C B 0.42536(16) 0.73206(12) 0.31641(10) 0.0172(4) Uani 1 1 d . . . . .
H6C H 0.3991(13) 0.7324(10) 0.2647(8) 0.021 Uiso 1 1 d R . . . .
C6C C 0.63314(13) 0.47268(10) 0.32689(8) 0.0167(4) Uani 1 1 d . . . . .
B7C B 0.35016(16) 0.72274(12) 0.45400(10) 0.0189(4) Uani 1 1 d . . . . .
H7C H 0.2774(14) 0.7167(10) 0.4859(8) 0.023 Uiso 1 1 d R . . . .
B8C B 0.49785(16) 0.70572(13) 0.48104(10) 0.0199(4) Uani 1 1 d . . . . .
H8C H 0.5225(13) 0.6942(10) 0.5346(8) 0.024 Uiso 1 1 d R . . . .
B9C B 0.56358(16) 0.76487(13) 0.42270(10) 0.0206(4) Uani 1 1 d . . . . .
H9C H 0.6307(14) 0.7947(10) 0.4361(8) 0.025 Uiso 1 1 d R . . . .
B10C B 0.45787(17) 0.81505(13) 0.35938(10) 0.0206(4) Uani 1 1 d . . . . .
H10C H 0.4535(14) 0.8760(11) 0.3319(8) 0.025 Uiso 1 1 d R . . . .
B11C B 0.32601(17) 0.78937(12) 0.37967(10) 0.0194(4) Uani 1 1 d . . . . .
H11C H 0.2385(14) 0.8269(10) 0.3644(8) 0.023 Uiso 1 1 d R . . . .
B12C B 0.41105(16) 0.81033(13) 0.44529(10) 0.0202(4) Uani 1 1 d . . . . .
H12C H 0.3750(14) 0.8689(10) 0.4751(8) 0.024 Uiso 1 1 d R . . . .
C7C C 0.74683(13) 0.49206(10) 0.31117(8) 0.0194(4) Uani 1 1 d . . . . .
H7CA H 0.8087 0.4807 0.3423 0.023 Uiso 1 1 calc R . . . .
C8C C 0.75379(14) 0.52634(10) 0.25021(8) 0.0201(4) Uani 1 1 d . . . . .
H8CA H 0.8194 0.5430 0.2350 0.024 Uiso 1 1 calc R . . . .
C9C C 0.62869(14) 0.43095(11) 0.39624(8) 0.0216(4) Uani 1 1 d . . . . .
H9CA H 0.6887 0.3737 0.3992 0.032 Uiso 1 1 calc GR . . . .
H9CB H 0.5509 0.4243 0.4040 0.032 Uiso 1 1 calc GR . . . .
H9CC H 0.6436 0.4682 0.4298 0.032 Uiso 1 1 calc GR . . . .
C10C C 0.63845(15) 0.58757(11) 0.14100(8) 0.0217(4) Uani 1 1 d . . . . .
H10A H 0.5578 0.5970 0.1235 0.026 Uiso 1 1 calc R . . . .
C11C C 0.72692(17) 0.53534(12) 0.08892(9) 0.0345(5) Uani 1 1 d . . . . .
H11A H 0.7205 0.5706 0.0477 0.052 Uiso 1 1 calc GR . . . .
H11B H 0.7091 0.4818 0.0801 0.052 Uiso 1 1 calc GR . . . .
H11D H 0.8070 0.5206 0.1060 0.052 Uiso 1 1 calc GR . . . .
C12C C 0.65269(16) 0.67824(11) 0.14830(9) 0.0286(4) Uani 1 1 d . . . . .
H12A H 0.6416 0.7095 0.1051 0.043 Uiso 1 1 calc GR . . . .
H12B H 0.7316 0.6716 0.1646 0.043 Uiso 1 1 calc GR . . . .
H12D H 0.5939 0.7112 0.1799 0.043 Uiso 1 1 calc GR . . . .
O2B O 0.97818(9) 0.15105(7) 0.16313(5) 0.0173(3) Uani 1 1 d . . . . .
O2D O 0.14726(9) 0.61690(7) 0.35033(5) 0.0172(3) Uani 1 1 d . . . . .
O2A O 0.66240(9) 0.07430(7) 0.24324(5) 0.0175(3) Uani 1 1 d . . . . .
N1D N 0.20832(11) 0.53774(8) 0.31315(7) 0.0165(3) Uani 1 1 d . . . . .
N1A N 0.69992(11) 0.03636(8) 0.17758(7) 0.0169(3) Uani 1 1 d . . . . .
N1B N 1.00873(11) 0.06692(8) 0.20095(6) 0.0172(3) Uani 1 1 d . . . . .
C5D C 0.22520(14) 0.46182(11) 0.42022(8) 0.0228(4) Uani 1 1 d . . . . .
H5DA H 0.2236 0.4085 0.4455 0.027 Uiso 1 1 calc R . . . .
H5DB H 0.3076 0.4624 0.4183 0.027 Uiso 1 1 calc R . . . .
C3A C 0.60246(13) 0.02374(10) 0.28772(8) 0.0176(4) Uani 1 1 d . . . . .
C8B C 1.18832(14) 0.12120(12) 0.13667(8) 0.0237(4) Uani 1 1 d . . . . .
H8B H 1.2425 0.1533 0.1348 0.028 Uiso 1 1 calc R . . . .
C6A C 0.68165(15) -0.05386(10) 0.17809(8) 0.0210(4) Uani 1 1 d . . . . .
C10A C 0.55781(14) 0.08293(10) 0.34724(8) 0.0199(4) Uani 1 1 d . . . . .
H10G H 0.6273 0.0959 0.3653 0.024 Uiso 1 1 calc R . . . .
C8D C -0.01161(13) 0.55582(10) 0.37651(8) 0.0171(4) Uani 1 1 d . . . . .
H8D H -0.0950 0.5774 0.3780 0.020 Uiso 1 1 calc R . . . .
C11D C -0.08401(15) 0.69256(12) 0.48590(9) 0.0258(4) Uani 1 1 d . . . . .
H11I H -0.1202 0.7510 0.5024 0.039 Uiso 1 1 calc GR . . . .
H11J H -0.0410 0.6539 0.5219 0.039 Uiso 1 1 calc GR . . . .
H11K H -0.1453 0.6704 0.4698 0.039 Uiso 1 1 calc GR . . . .
C10D C 0.00213(14) 0.69630(11) 0.42836(8) 0.0201(4) Uani 1 1 d . . . . .
H10E H 0.0632 0.7193 0.4463 0.024 Uiso 1 1 calc R . . . .
C8A C 0.51098(14) 0.00167(11) 0.24774(8) 0.0201(4) Uani 1 1 d . . . . .
H8A H 0.4307 0.0167 0.2607 0.024 Uiso 1 1 calc R . . . .
C1B C 1.01639(13) 0.08738(10) 0.27064(8) 0.0165(4) Uani 1 1 d . . . . .
C12A C 0.46673(16) 0.17072(11) 0.32782(9) 0.0294(4) Uani 1 1 d . . . . .
H12M H 0.4464 0.2068 0.3668 0.044 Uiso 1 1 calc GR . . . .
H12N H 0.3959 0.1608 0.3112 0.044 Uiso 1 1 calc GR . . . .
H12O H 0.4999 0.2004 0.2931 0.044 Uiso 1 1 calc GR . . . .
C2D C 0.28971(14) 0.58437(11) 0.19928(8) 0.0184(4) Uani 1 1 d . . . . .
H2D H 0.3579(14) 0.5797(10) 0.2263(8) 0.022 Uiso 1 1 d R . . . .
C10B C 1.02313(14) 0.25365(11) 0.08602(8) 0.0239(4) Uani 1 1 d . . . . .
H10B H 0.9393 0.2681 0.0722 0.029 Uiso 1 1 calc R . . . .
C3D C 0.06560(13) 0.60384(10) 0.40432(8) 0.0166(4) Uani 1 1 d . . . . .
C1D C 0.17880(13) 0.56072(10) 0.24321(8) 0.0158(4) Uani 1 1 d . . . . .
C1A C 0.64151(13) 0.10383(10) 0.12779(8) 0.0161(4) Uani 1 1 d . . . . .
C2A C 0.73126(14) 0.16095(10) 0.09807(8) 0.0169(4) Uani 1 1 d . . . . .
H2A H 0.8067(14) 0.1425(10) 0.1202(8) 0.020 Uiso 1 1 d R . . . .
C12D C -0.06302(15) 0.76081(11) 0.37281(9) 0.0279(4) Uani 1 1 d . . . . .
H12I H -0.0969 0.8187 0.3908 0.042 Uiso 1 1 calc GR . . . .
H12J H -0.1259 0.7413 0.3554 0.042 Uiso 1 1 calc GR . . . .
H12K H -0.0076 0.7633 0.3370 0.042 Uiso 1 1 calc GR . . . .
C4A C 0.70073(14) -0.06204(11) 0.30548(9) 0.0218(4) Uani 1 1 d . . . . .
H4AA H 0.6677 -0.1024 0.3312 0.026 Uiso 1 1 calc R . . . .
H4AB H 0.7615 -0.0502 0.3326 0.026 Uiso 1 1 calc R . . . .
C4D C 0.14769(14) 0.54327(11) 0.45663(8) 0.0218(4) Uani 1 1 d . . . . .
H4DA H 0.1007 0.5258 0.4923 0.026 Uiso 1 1 calc R . . . .
H4DB H 0.1978 0.5736 0.4768 0.026 Uiso 1 1 calc R . . . .
C2B C 0.89103(14) 0.09242(10) 0.31464(8) 0.0184(4) Uani 1 1 d . . . . .
H2B H 0.8328(14) 0.0803(10) 0.2871(8) 0.022 Uiso 1 1 d R . . . .
C6D C 0.18018(14) 0.46015(10) 0.34807(8) 0.0191(4) Uani 1 1 d . . . . .
C5A C 0.75525(15) -0.10269(11) 0.23905(9) 0.0258(4) Uani 1 1 d . . . . .
H5AA H 0.7589 -0.1646 0.2398 0.031 Uiso 1 1 calc R . . . .
H5AB H 0.8365 -0.1001 0.2345 0.031 Uiso 1 1 calc R . . . .
C7A C 0.55268(15) -0.04075(11) 0.19252(9) 0.0226(4) Uani 1 1 d . . . . .
H7A H 0.5051 -0.0611 0.1645 0.027 Uiso 1 1 calc R . . . .
C3B C 1.06469(13) 0.15704(11) 0.10933(8) 0.0195(4) Uani 1 1 d . . . . .
C9A C 0.73216(17) -0.10418(11) 0.11547(9) 0.0293(4) Uani 1 1 d . . . . .
H9AA H 0.7307 -0.1642 0.1213 0.044 Uiso 1 1 calc GR . . . .
H9AB H 0.8133 -0.1043 0.1082 0.044 Uiso 1 1 calc GR . . . .
H9AC H 0.6846 -0.0761 0.0770 0.044 Uiso 1 1 calc GR . . . .
C4B C 1.05261(14) 0.09292(11) 0.05728(8) 0.0234(4) Uani 1 1 d . . . . .
H4BA H 0.9745 0.1148 0.0361 0.028 Uiso 1 1 calc R . . . .
H4BB H 1.1137 0.0866 0.0224 0.028 Uiso 1 1 calc R . . . .
C11A C 0.50900(16) 0.03611(12) 0.40392(9) 0.0295(4) Uani 1 1 d . . . . .
H11M H 0.4833 0.0749 0.4410 0.044 Uiso 1 1 calc GR . . . .
H11N H 0.5707 -0.0166 0.4189 0.044 Uiso 1 1 calc GR . . . .
H11O H 0.4422 0.0204 0.3876 0.044 Uiso 1 1 calc GR . . . .
C5B C 1.06743(15) 0.00425(11) 0.09378(8) 0.0244(4) Uani 1 1 d . . . . .
H5BA H 1.1232 -0.0426 0.0686 0.029 Uiso 1 1 calc R . . . .
H5BB H 0.9908 -0.0069 0.0957 0.029 Uiso 1 1 calc R . . . .
C7B C 1.21454(14) 0.04116(12) 0.16350(8) 0.0247(4) Uani 1 1 d . . . . .
H7B H 1.2905 0.0103 0.1800 0.030 Uiso 1 1 calc R . . . .
C6B C 1.11405(14) 0.00268(11) 0.16583(8) 0.0209(4) Uani 1 1 d . . . . .
C9B C 1.14497(16) -0.09012(11) 0.19591(9) 0.0297(4) Uani 1 1 d . . . . .
H9BA H 1.2034 -0.1298 0.1677 0.044 Uiso 1 1 calc GR . . . .
H9BB H 1.0740 -0.1079 0.1989 0.044 Uiso 1 1 calc GR . . . .
H9BC H 1.1772 -0.0919 0.2404 0.044 Uiso 1 1 calc GR . . . .
C12B C 1.02690(18) 0.31599(12) 0.14138(9) 0.0342(5) Uani 1 1 d . . . . .
H12E H 0.9946 0.3763 0.1246 0.051 Uiso 1 1 calc GR . . . .
H12F H 1.1084 0.3050 0.1550 0.051 Uiso 1 1 calc GR . . . .
H12G H 0.9801 0.3062 0.1795 0.051 Uiso 1 1 calc GR . . . .
C11B C 1.09381(16) 0.26934(13) 0.02457(9) 0.0354(5) Uani 1 1 d . . . . .
H11E H 1.0670 0.3312 0.0113 0.053 Uiso 1 1 calc GR . . . .
H11F H 1.0818 0.2352 -0.0120 0.053 Uiso 1 1 calc GR . . . .
H11G H 1.1775 0.2516 0.0354 0.053 Uiso 1 1 calc GR . . . .
C9D C 0.24695(15) 0.37234(10) 0.31840(9) 0.0276(4) Uani 1 1 d . . . . .
H9DA H 0.2346 0.3252 0.3465 0.041 Uiso 1 1 calc GR . . . .
H9DB H 0.3310 0.3658 0.3160 0.041 Uiso 1 1 calc GR . . . .
H9DC H 0.2178 0.3701 0.2737 0.041 Uiso 1 1 calc GR . . . .
C7D C 0.04768(13) 0.48012(10) 0.34951(8) 0.0183(4) Uani 1 1 d . . . . .
H7D H 0.0098 0.4421 0.3327 0.022 Uiso 1 1 calc R . . . .
B4D B 0.10665(16) 0.51375(13) 0.19061(10) 0.0197(4) Uani 1 1 d . . . . .
H4D H 0.0665(14) 0.4679(10) 0.2125(8) 0.024 Uiso 1 1 d R . . . .
B7A B 0.70982(17) 0.19004(13) 0.01562(10) 0.0195(4) Uani 1 1 d . . . . .
H7AA H 0.7866(14) 0.1901(10) -0.0154(8) 0.023 Uiso 1 1 d R . . . .
B7B B 0.91808(17) 0.05594(13) 0.39573(10) 0.0221(4) Uani 1 1 d . . . . .
H7BA H 0.8632(14) 0.0186(10) 0.4180(8) 0.027 Uiso 1 1 d R . . . .
B5B B 1.07465(16) 0.16343(13) 0.30168(10) 0.0200(4) Uani 1 1 d . . . . .
H5B H 1.1215(14) 0.1946(10) 0.2662(8) 0.024 Uiso 1 1 d R . . . .
B9A B 0.46649(17) 0.20603(15) 0.04219(11) 0.0292(5) Uani 1 1 d . . . . .
H9A H 0.3797(15) 0.2187(11) 0.0229(8) 0.035 Uiso 1 1 d R . . . .
B5D B 0.04574(16) 0.62648(12) 0.21091(10) 0.0187(4) Uani 1 1 d . . . . .
H5D H -0.0291(14) 0.6486(10) 0.2458(8) 0.022 Uiso 1 1 d R . . . .
B6A B 0.61773(17) 0.21269(12) 0.15074(10) 0.0195(4) Uani 1 1 d . . . . .
H6A H 0.6375(14) 0.2250(10) 0.2004(8) 0.023 Uiso 1 1 d R . . . .
B5A B 0.49872(16) 0.17425(13) 0.12813(10) 0.0226(5) Uani 1 1 d . . . . .
H5A H 0.4369(15) 0.1648(10) 0.1675(8) 0.027 Uiso 1 1 d R . . . .
B8A B 0.59350(17) 0.14999(14) -0.00754(10) 0.0241(5) Uani 1 1 d . . . . .
H8AA H 0.5862(14) 0.1303(10) -0.0577(9) 0.029 Uiso 1 1 d R . . . .
B6D B 0.16652(16) 0.66987(12) 0.21898(10) 0.0179(4) Uani 1 1 d . . . . .
H6D H 0.1728(13) 0.7133(10) 0.2568(8) 0.022 Uiso 1 1 d R . . . .
B3D B 0.26434(16) 0.48787(13) 0.18600(10) 0.0197(4) Uani 1 1 d . . . . .
H3D H 0.3294(14) 0.4295(10) 0.2044(8) 0.024 Uiso 1 1 d R . . . .
B6B B 0.91725(16) 0.18886(12) 0.29389(10) 0.0181(4) Uani 1 1 d . . . . .
H6B H 0.8654(14) 0.2305(10) 0.2559(8) 0.022 Uiso 1 1 d R . . . .
B8B B 1.07435(17) 0.02931(13) 0.40321(10) 0.0233(5) Uani 1 1 d . . . . .
H8BA H 1.1246(14) -0.0259(11) 0.4360(8) 0.028 Uiso 1 1 d R . . . .
B7D B 0.29946(17) 0.55218(13) 0.11890(10) 0.0212(4) Uani 1 1 d . . . . .
H7DA H 0.3879(14) 0.5280(10) 0.0952(8) 0.025 Uiso 1 1 d R . . . .
B3A B 0.70399(16) 0.08655(13) 0.04813(10) 0.0188(4) Uani 1 1 d . . . . .
H3A H 0.7751(14) 0.0269(10) 0.0401(8) 0.023 Uiso 1 1 d R . . . .
B8D B 0.18045(17) 0.50817(14) 0.11161(10) 0.0232(5) Uani 1 1 d . . . . .
H8DA H 0.1859(14) 0.4548(11) 0.0785(8) 0.028 Uiso 1 1 d R . . . .
B12B B 0.97757(17) 0.13265(13) 0.43112(10) 0.0229(4) Uani 1 1 d . . . . .
H12H H 0.9655(14) 0.1468(10) 0.4844(9) 0.027 Uiso 1 1 d R . . . .
B9D B 0.04623(17) 0.59477(13) 0.12660(10) 0.0227(5) Uani 1 1 d . . . . .
H9D H -0.0370(14) 0.5982(10) 0.1027(8) 0.027 Uiso 1 1 d R . . . .
B3B B 1.01371(17) 0.00434(13) 0.32929(10) 0.0213(4) Uani 1 1 d . . . . .
H3B H 1.0173(14) -0.0595(11) 0.3102(8) 0.026 Uiso 1 1 d R . . . .
B10D B 0.08237(16) 0.69130(13) 0.14449(10) 0.0211(4) Uani 1 1 d . . . . .
H10F H 0.0241(14) 0.7578(11) 0.1333(8) 0.025 Uiso 1 1 d R . . . .
B4B B 1.13447(17) 0.04900(13) 0.32397(10) 0.0222(4) Uani 1 1 d . . . . .
H4B H 1.2197(15) 0.0096(10) 0.3032(8) 0.027 Uiso 1 1 d R . . . .
B11D B 0.23927(16) 0.66431(13) 0.13947(10) 0.0209(4) Uani 1 1 d . . . . .
H11L H 0.2894(14) 0.7087(10) 0.1305(8) 0.025 Uiso 1 1 d R . . . .
B10A B 0.50657(18) 0.27724(14) 0.09612(10) 0.0260(5) Uani 1 1 d . . . . .
H10H H 0.4482(15) 0.3388(11) 0.1118(8) 0.031 Uiso 1 1 d R . . . .
B4A B 0.55176(17) 0.09570(14) 0.06398(10) 0.0236(5) Uani 1 1 d . . . . .
H4A H 0.5195(14) 0.0382(11) 0.0635(8) 0.028 Uiso 1 1 d R . . . .
B9B B 1.11054(17) 0.12841(13) 0.38641(10) 0.0220(4) Uani 1 1 d . . . . .
H9B H 1.1868(14) 0.1413(10) 0.4098(8) 0.026 Uiso 1 1 d R . . . .
B11A B 0.65755(17) 0.26732(13) 0.07853(10) 0.0216(4) Uani 1 1 d . . . . .
H11P H 0.7013(14) 0.3164(10) 0.0887(8) 0.026 Uiso 1 1 d R . . . .
B10B B 0.97691(17) 0.21496(13) 0.36718(10) 0.0216(4) Uani 1 1 d . . . . .
H10D H 0.9617(14) 0.2858(11) 0.3781(8) 0.026 Uiso 1 1 d R . . . .
B12A B 0.56368(17) 0.26333(14) 0.01182(10) 0.0247(5) Uani 1 1 d . . . . .
H12P H 0.5390(14) 0.3170(11) -0.0258(8) 0.030 Uiso 1 1 d R . . . .
B11B B 0.85848(17) 0.16949(13) 0.37381(10) 0.0211(4) Uani 1 1 d . . . . .
H11H H 0.7650(14) 0.2050(10) 0.3825(8) 0.025 Uiso 1 1 d R . . . .
B12D B 0.16435(17) 0.61840(13) 0.08210(10) 0.0223(4) Uani 1 1 d . . . . .
H12L H 0.1614(14) 0.6388(10) 0.0300(8) 0.027 Uiso 1 1 d R . . . .


_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
C1C N1C 1.465(2) . ?
C1C C2C 1.717(2) . ?
C1C B3C 1.757(2) . ?
C1C B4C 1.732(2) . ?
C1C B5C 1.735(2) . ?
C1C B6C 1.776(2) . ?
N1C O2C 1.4853(16) . ?
N1C C6C 1.5398(19) . ?
C2C H2C 0.965(15) . ?
C2C B3C 1.717(2) . ?
C2C B6C 1.723(2) . ?
C2C B7C 1.717(3) . ?
C2C B11C 1.704(2) . ?
O2C C3C 1.5015(19) . ?
B3C H3C 1.081(15) . ?
B3C B4C 1.808(3) . ?
B3C B7C 1.804(3) . ?
B3C B8C 1.790(3) . ?
C3C C4C 1.552(2) . ?
C3C C8C 1.514(2) . ?
C3C C10C 1.546(2) . ?
B4C H4C 1.100(15) . ?
B4C B5C 1.802(3) . ?
B4C B8C 1.797(3) . ?
B4C B9C 1.796(3) . ?
C4C H4CA 0.9900 . ?
C4C H4CB 0.9900 . ?
C4C C5C 1.556(2) . ?
B5C H5C 1.077(17) . ?
B5C B6C 1.806(3) . ?
B5C B9C 1.804(3) . ?
B5C B10C 1.799(3) . ?
C5C H5CA 0.9900 . ?
C5C H5CB 0.9900 . ?
C5C C6C 1.560(2) . ?
B6C H6C 1.096(16) . ?
B6C B10C 1.776(3) . ?
B6C B11C 1.803(3) . ?
C6C C7C 1.516(2) . ?
C6C C9C 1.536(2) . ?
B7C H7C 1.099(16) . ?
B7C B8C 1.797(3) . ?
B7C B11C 1.785(3) . ?
B7C B12C 1.790(3) . ?
B8C H8C 1.120(16) . ?
B8C B9C 1.808(3) . ?
B8C B12C 1.817(3) . ?
B9C H9C 1.103(15) . ?
B9C B10C 1.798(3) . ?
B9C B12C 1.800(3) . ?
B10C H10C 1.101(16) . ?
B10C B11C 1.792(3) . ?
B10C B12C 1.817(3) . ?
B11C H11C 1.079(16) . ?
B11C B12C 1.794(3) . ?
B12C H12C 1.109(16) . ?
C7C H7CA 0.9500 . ?
C7C C8C 1.340(2) . ?
C8C H8CA 0.9500 . ?
C9C H9CA 0.9800 . ?
C9C H9CB 0.9800 . ?
C9C H9CC 0.9800 . ?
C10C H10A 1.0000 . ?
C10C C11C 1.552(2) . ?
C10C C12C 1.545(2) . ?
C11C H11A 0.9800 . ?
C11C H11B 0.9800 . ?
C11C H11D 0.9800 . ?
C12C H12A 0.9800 . ?
C12C H12B 0.9800 . ?
C12C H12D 0.9800 . ?
O2B N1B 1.4795(16) . ?
O2B C3B 1.5067(19) . ?
O2D N1D 1.4877(16) . ?
O2D C3D 1.5019(18) . ?
O2A N1A 1.4851(16) . ?
O2A C3A 1.5083(18) . ?
N1D C1D 1.466(2) . ?
N1D C6D 1.541(2) . ?
N1A C6A 1.545(2) . ?
N1A C1A 1.468(2) . ?
N1B C1B 1.470(2) . ?
N1B C6B 1.542(2) . ?
C5D H5DA 0.9900 . ?
C5D H5DB 0.9900 . ?
C5D C4D 1.558(2) . ?
C5D C6D 1.568(2) . ?
C3A C10A 1.548(2) . ?
C3A C8A 1.513(2) . ?
C3A C4A 1.549(2) . ?
C8B H8B 0.9500 . ?
C8B C3B 1.518(2) . ?
C8B C7B 1.330(2) . ?
C6A C5A 1.564(2) . ?
C6A C7A 1.516(2) . ?
C6A C9A 1.540(2) . ?
C10A H10G 1.0000 . ?
C10A C12A 1.539(2) . ?
C10A C11A 1.551(2) . ?
C8D H8D 0.9500 . ?
C8D C3D 1.512(2) . ?
C8D C7D 1.342(2) . ?
C11D H11I 0.9800 . ?
C11D H11J 0.9800 . ?
C11D H11K 0.9800 . ?
C11D C10D 1.549(2) . ?
C10D H10E 1.0000 . ?
C10D C3D 1.546(2) . ?
C10D C12D 1.545(2) . ?
C8A H8A 0.9500 . ?
C8A C7A 1.338(2) . ?
C1B C2B 1.710(2) . ?
C1B B5B 1.738(2) . ?
C1B B6B 1.776(2) . ?
C1B B3B 1.763(3) . ?
C1B B4B 1.733(2) . ?
C12A H12M 0.9800 . ?
C12A H12N 0.9800 . ?
C12A H12O 0.9800 . ?
C2D H2D 0.973(16) . ?
C2D C1D 1.715(2) . ?
C2D B6D 1.731(2) . ?
C2D B3D 1.717(2) . ?
C2D B7D 1.715(3) . ?
C2D B11D 1.706(3) . ?
C10B H10B 1.0000 . ?
C10B C3B 1.543(2) . ?
C10B C12B 1.548(2) . ?
C10B C11B 1.544(2) . ?
C3D C4D 1.548(2) . ?
C1D B4D 1.724(2) . ?
C1D B5D 1.739(2) . ?
C1D B6D 1.778(2) . ?
C1D B3D 1.756(3) . ?
C1A C2A 1.711(2) . ?
C1A B6A 1.777(3) . ?
C1A B5A 1.734(2) . ?
C1A B3A 1.755(3) . ?
C1A B4A 1.730(2) . ?
C2A H2A 0.971(15) . ?
C2A B7A 1.713(2) . ?
C2A B6A 1.727(3) . ?
C2A B3A 1.714(3) . ?
C2A B11A 1.707(2) . ?
C12D H12I 0.9800 . ?
C12D H12J 0.9800 . ?
C12D H12K 0.9800 . ?
C4A H4AA 0.9900 . ?
C4A H4AB 0.9900 . ?
C4A C5A 1.557(2) . ?
C4D H4DA 0.9900 . ?
C4D H4DB 0.9900 . ?
C2B H2B 0.972(16) . ?
C2B B7B 1.719(3) . ?
C2B B6B 1.723(2) . ?
C2B B3B 1.719(2) . ?
C2B B11B 1.714(3) . ?
C6D C9D 1.537(2) . ?
C6D C7D 1.518(2) . ?
C5A H5AA 0.9900 . ?
C5A H5AB 0.9900 . ?
C7A H7A 0.9500 . ?
C3B C4B 1.548(2) . ?
C9A H9AA 0.9800 . ?
C9A H9AB 0.9800 . ?
C9A H9AC 0.9800 . ?
C4B H4BA 0.9900 . ?
C4B H4BB 0.9900 . ?
C4B C5B 1.549(2) . ?
C11A H11M 0.9800 . ?
C11A H11N 0.9800 . ?
C11A H11O 0.9800 . ?
C5B H5BA 0.9900 . ?
C5B H5BB 0.9900 . ?
C5B C6B 1.565(2) . ?
C7B H7B 0.9500 . ?
C7B C6B 1.519(2) . ?
C6B C9B 1.534(2) . ?
C9B H9BA 0.9800 . ?
C9B H9BB 0.9800 . ?
C9B H9BC 0.9800 . ?
C12B H12E 0.9800 . ?
C12B H12F 0.9800 . ?
C12B H12G 0.9800 . ?
C11B H11E 0.9800 . ?
C11B H11F 0.9800 . ?
C11B H11G 0.9800 . ?
C9D H9DA 0.9800 . ?
C9D H9DB 0.9800 . ?
C9D H9DC 0.9800 . ?
C7D H7D 0.9500 . ?
B4D H4D 1.080(16) . ?
B4D B5D 1.804(3) . ?
B4D B3D 1.804(3) . ?
B4D B8D 1.799(3) . ?
B4D B9D 1.794(3) . ?
B7A H7AA 1.102(16) . ?
B7A B8A 1.790(3) . ?
B7A B3A 1.797(3) . ?
B7A B11A 1.783(3) . ?
B7A B12A 1.783(3) . ?
B7B H7BA 1.103(16) . ?
B7B B8B 1.793(3) . ?
B7B B12B 1.793(3) . ?
B7B B3B 1.799(3) . ?
B7B B11B 1.793(3) . ?
B5B H5B 1.101(16) . ?
B5B B6B 1.809(3) . ?
B5B B4B 1.808(3) . ?
B5B B9B 1.796(3) . ?
B5B B10B 1.797(3) . ?
B9A H9A 1.072(17) . ?
B9A B5A 1.803(3) . ?
B9A B8A 1.815(3) . ?
B9A B10A 1.795(3) . ?
B9A B4A 1.801(3) . ?
B9A B12A 1.788(3) . ?
B5D H5D 1.105(17) . ?
B5D B6D 1.810(3) . ?
B5D B9D 1.797(3) . ?
B5D B10D 1.800(3) . ?
B6A H6A 1.076(16) . ?
B6A B5A 1.800(3) . ?
B6A B10A 1.782(3) . ?
B6A B11A 1.807(3) . ?
B5A H5A 1.114(17) . ?
B5A B10A 1.795(3) . ?
B5A B4A 1.816(3) . ?
B8A H8AA 1.088(17) . ?
B8A B3A 1.785(3) . ?
B8A B4A 1.802(3) . ?
B8A B12A 1.816(3) . ?
B6D H6D 1.079(16) . ?
B6D B10D 1.788(3) . ?
B6D B11D 1.802(3) . ?
B3D H3D 1.078(16) . ?
B3D B7D 1.798(3) . ?
B3D B8D 1.785(3) . ?
B6B H6B 1.070(15) . ?
B6B B10B 1.779(3) . ?
B6B B11B 1.801(3) . ?
B8B H8BA 1.110(16) . ?
B8B B12B 1.817(3) . ?
B8B B3B 1.788(3) . ?
B8B B4B 1.798(3) . ?
B8B B9B 1.808(3) . ?
B7D H7DA 1.114(17) . ?
B7D B8D 1.795(3) . ?
B7D B11D 1.796(3) . ?
B7D B12D 1.794(3) . ?
B3A H3A 1.085(16) . ?
B3A B4A 1.806(3) . ?
B8D H8DA 1.100(17) . ?
B8D B9D 1.802(3) . ?
B8D B12D 1.813(3) . ?
B12B H12H 1.106(17) . ?
B12B B9B 1.798(3) . ?
B12B B10B 1.816(3) . ?
B12B B11B 1.791(3) . ?
B9D H9D 1.103(16) . ?
B9D B10D 1.802(3) . ?
B9D B12D 1.793(3) . ?
B3B H3B 1.107(16) . ?
B3B B4B 1.810(3) . ?
B10D H10F 1.103(16) . ?
B10D B11D 1.794(3) . ?
B10D B12D 1.814(3) . ?
B4B H4B 1.105(17) . ?
B4B B9B 1.793(3) . ?
B11D H11L 1.080(16) . ?
B11D B12D 1.798(3) . ?
B10A H10H 1.080(17) . ?
B10A B11A 1.795(3) . ?
B10A B12A 1.817(3) . ?
B4A H4A 1.116(16) . ?
B9B H9B 1.117(15) . ?
B9B B10B 1.804(3) . ?
B11A H11P 1.109(16) . ?
B11A B12A 1.788(3) . ?
B10B H10D 1.135(16) . ?
B10B B11B 1.793(3) . ?
B12A H12P 1.103(16) . ?
B11B H11H 1.101(16) . ?
B12D H12L 1.087(17) . ?

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
N1C C1C C2C 112.23(11) . . ?
N1C C1C B3C 115.92(12) . . ?
N1C C1C B4C 129.38(12) . . ?
N1C C1C B5C 127.57(13) . . ?
N1C C1C B6C 114.02(12) . . ?
C2C C1C B3C 59.23(9) . . ?
C2C C1C B4C 107.92(12) . . ?
C2C C1C B5C 107.77(12) . . ?
C2C C1C B6C 59.09(9) . . ?
B3C C1C B6C 110.66(12) . . ?
B4C C1C B3C 62.43(10) . . ?
B4C C1C B5C 62.62(10) . . ?
B4C C1C B6C 112.50(12) . . ?
B5C C1C B3C 113.14(12) . . ?
B5C C1C B6C 61.90(10) . . ?
C1C N1C O2C 105.99(11) . . ?
C1C N1C C6C 121.84(11) . . ?
O2C N1C C6C 107.83(11) . . ?
C1C C2C H2C 111.5(10) . . ?
C1C C2C B3C 61.53(10) . . ?
C1C C2C B6C 62.16(10) . . ?
C1C C2C B7C 112.90(12) . . ?
B3C C2C H2C 112.2(9) . . ?
B3C C2C B6C 115.25(12) . . ?
B3C C2C B7C 63.38(11) . . ?
B6C C2C H2C 116.1(9) . . ?
B7C C2C H2C 122.7(10) . . ?
B7C C2C B6C 115.77(13) . . ?
B11C C2C C1C 113.32(12) . . ?
B11C C2C H2C 125.4(9) . . ?
B11C C2C B3C 115.71(13) . . ?
B11C C2C B6C 63.48(11) . . ?
B11C C2C B7C 62.92(11) . . ?
N1C O2C C3C 114.94(10) . . ?
C1C B3C H3C 119.0(9) . . ?
C1C B3C B4C 58.12(10) . . ?
C1C B3C B7C 106.98(13) . . ?
C1C B3C B8C 105.70(13) . . ?
C2C B3C C1C 59.25(9) . . ?
C2C B3C H3C 118.4(8) . . ?
C2C B3C B4C 104.58(13) . . ?
C2C B3C B7C 58.30(10) . . ?
C2C B3C B8C 104.35(13) . . ?
B4C B3C H3C 126.2(8) . . ?
B7C B3C H3C 121.5(9) . . ?
B7C B3C B4C 107.86(13) . . ?
B8C B3C H3C 129.1(8) . . ?
B8C B3C B4C 59.93(10) . . ?
B8C B3C B7C 60.00(10) . . ?
O2C C3C C4C 104.96(12) . . ?
O2C C3C C8C 108.63(13) . . ?
O2C C3C C10C 103.04(12) . . ?
C8C C3C C4C 107.67(13) . . ?
C8C C3C C10C 117.45(13) . . ?
C10C C3C C4C 114.17(13) . . ?
C1C B4C B3C 59.45(9) . . ?
C1C B4C H4C 117.2(8) . . ?
C1C B4C B5C 58.76(9) . . ?
C1C B4C B8C 106.42(12) . . ?
C1C B4C B9C 105.80(12) . . ?
B3C B4C H4C 118.8(8) . . ?
B5C B4C B3C 107.64(12) . . ?
B5C B4C H4C 120.4(8) . . ?
B8C B4C B3C 59.53(11) . . ?
B8C B4C H4C 125.8(8) . . ?
B8C B4C B5C 108.75(13) . . ?
B9C B4C B3C 107.39(13) . . ?
B9C B4C H4C 128.0(8) . . ?
B9C B4C B5C 60.21(11) . . ?
B9C B4C B8C 60.41(11) . . ?
C3C C4C H4CA 110.2 . . ?
C3C C4C H4CB 110.2 . . ?
C3C C4C C5C 107.41(13) . . ?
H4CA C4C H4CB 108.5 . . ?
C5C C4C H4CA 110.2 . . ?
C5C C4C H4CB 110.2 . . ?
C1C B5C B4C 58.62(10) . . ?
C1C B5C H5C 119.0(8) . . ?
C1C B5C B6C 60.18(9) . . ?
C1C B5C B9C 105.31(13) . . ?
C1C B5C B10C 105.95(13) . . ?
B4C B5C H5C 120.6(8) . . ?
B4C B5C B6C 107.93(13) . . ?
B4C B5C B9C 59.73(11) . . ?
B6C B5C H5C 120.1(8) . . ?
B9C B5C H5C 126.5(8) . . ?
B9C B5C B6C 107.01(14) . . ?
B10C B5C B4C 107.65(14) . . ?
B10C B5C H5C 125.8(8) . . ?
B10C B5C B6C 59.03(11) . . ?
B10C B5C B9C 59.89(11) . . ?
C4C C5C H5CA 109.4 . . ?
C4C C5C H5CB 109.4 . . ?
C4C C5C C6C 111.21(13) . . ?
H5CA C5C H5CB 108.0 . . ?
C6C C5C H5CA 109.4 . . ?
C6C C5C H5CB 109.4 . . ?
C1C B6C B5C 57.92(10) . . ?
C1C B6C H6C 119.2(8) . . ?
C1C B6C B10C 105.17(13) . . ?
C1C B6C B11C 105.99(13) . . ?
C2C B6C C1C 58.75(9) . . ?
C2C B6C B5C 104.36(13) . . ?
C2C B6C H6C 119.7(8) . . ?
C2C B6C B10C 103.84(14) . . ?
C2C B6C B11C 57.74(10) . . ?
B5C B6C H6C 124.7(8) . . ?
B10C B6C B5C 60.29(10) . . ?
B10C B6C H6C 129.0(8) . . ?
B10C B6C B11C 60.07(11) . . ?
B11C B6C B5C 108.15(13) . . ?
B11C B6C H6C 122.7(8) . . ?
N1C C6C C5C 102.98(12) . . ?
C7C C6C N1C 108.18(12) . . ?
C7C C6C C5C 108.90(13) . . ?
C7C C6C C9C 114.24(13) . . ?
C9C C6C N1C 112.84(13) . . ?
C9C C6C C5C 109.05(13) . . ?
C2C B7C B3C 58.31(10) . . ?
C2C B7C H7C 118.7(8) . . ?
C2C B7C B8C 104.07(13) . . ?
C2C B7C B11C 58.20(10) . . ?
C2C B7C B12C 104.41(13) . . ?
B3C B7C H7C 116.2(8) . . ?
B8C B7C B3C 59.62(10) . . ?
B8C B7C H7C 125.2(8) . . ?
B11C B7C B3C 107.61(14) . . ?
B11C B7C H7C 122.2(8) . . ?
B11C B7C B8C 108.57(13) . . ?
B11C B7C B12C 60.24(11) . . ?
B12C B7C B3C 108.35(13) . . ?
B12C B7C H7C 129.3(8) . . ?
B12C B7C B8C 60.88(10) . . ?
B3C B8C B4C 60.53(10) . . ?
B3C B8C B7C 60.38(10) . . ?
B3C B8C H8C 119.9(8) . . ?
B3C B8C B9C 107.66(14) . . ?
B3C B8C B12C 107.76(13) . . ?
B4C B8C B7C 108.64(13) . . ?
B4C B8C H8C 120.2(8) . . ?
B4C B8C B9C 59.75(11) . . ?
B4C B8C B12C 107.89(14) . . ?
B7C B8C H8C 121.9(8) . . ?
B7C B8C B9C 107.04(13) . . ?
B7C B8C B12C 59.37(10) . . ?
B9C B8C H8C 123.4(8) . . ?
B9C B8C B12C 59.55(11) . . ?
B12C B8C H8C 123.8(8) . . ?
B4C B9C B5C 60.06(11) . . ?
B4C B9C B8C 59.84(11) . . ?
B4C B9C H9C 121.4(8) . . ?
B4C B9C B10C 107.93(13) . . ?
B4C B9C B12C 108.72(13) . . ?
B5C B9C B8C 108.17(13) . . ?
B5C B9C H9C 119.0(9) . . ?
B8C B9C H9C 123.9(8) . . ?
B10C B9C B5C 59.90(11) . . ?
B10C B9C B8C 108.40(13) . . ?
B10C B9C H9C 120.4(8) . . ?
B10C B9C B12C 60.65(11) . . ?
B12C B9C B5C 109.01(13) . . ?
B12C B9C B8C 60.49(11) . . ?
B12C B9C H9C 122.5(9) . . ?
B5C B10C H10C 120.7(9) . . ?
B5C B10C B12C 108.51(13) . . ?
B6C B10C B5C 60.69(10) . . ?
B6C B10C B9C 108.58(13) . . ?
B6C B10C H10C 118.3(8) . . ?
B6C B10C B11C 60.72(10) . . ?
B6C B10C B12C 108.68(13) . . ?
B9C B10C B5C 60.21(11) . . ?
B9C B10C H10C 124.4(8) . . ?
B9C B10C B12C 59.72(11) . . ?
B11C B10C B5C 108.98(13) . . ?
B11C B10C B9C 107.52(14) . . ?
B11C B10C H10C 120.3(8) . . ?
B11C B10C B12C 59.62(11) . . ?
B12C B10C H10C 123.5(9) . . ?
C2C B11C B6C 58.78(10) . . ?
C2C B11C B7C 58.88(10) . . ?
C2C B11C B10C 103.96(13) . . ?
C2C B11C H11C 119.0(8) . . ?
C2C B11C B12C 104.75(13) . . ?
B6C B11C H11C 117.2(9) . . ?
B7C B11C B6C 108.57(13) . . ?
B7C B11C B10C 108.45(13) . . ?
B7C B11C H11C 121.2(9) . . ?
B7C B11C B12C 60.01(11) . . ?
B10C B11C B6C 59.21(11) . . ?
B10C B11C H11C 125.8(8) . . ?
B10C B11C B12C 60.89(11) . . ?
B12C B11C B6C 108.49(13) . . ?
B12C B11C H11C 128.1(9) . . ?
B7C B12C B8C 59.75(10) . . ?
B7C B12C B9C 107.67(13) . . ?
B7C B12C B10C 107.15(13) . . ?
B7C B12C B11C 59.76(11) . . ?
B7C B12C H12C 119.9(8) . . ?
B8C B12C H12C 122.8(8) . . ?
B9C B12C B8C 59.96(11) . . ?
B9C B12C B10C 59.63(11) . . ?
B9C B12C H12C 124.5(8) . . ?
B10C B12C B8C 107.18(14) . . ?
B10C B12C H12C 123.1(8) . . ?
B11C B12C B8C 107.29(13) . . ?
B11C B12C B9C 107.33(14) . . ?
B11C B12C B10C 59.49(11) . . ?
B11C B12C H12C 120.1(8) . . ?
C6C C7C H7CA 122.4 . . ?
C8C C7C C6C 115.20(14) . . ?
C8C C7C H7CA 122.4 . . ?
C3C C8C H8CA 123.1 . . ?
C7C C8C C3C 113.71(14) . . ?
C7C C8C H8CA 123.1 . . ?
C6C C9C H9CA 109.5 . . ?
C6C C9C H9CB 109.5 . . ?
C6C C9C H9CC 109.5 . . ?
H9CA C9C H9CB 109.5 . . ?
H9CA C9C H9CC 109.5 . . ?
H9CB C9C H9CC 109.5 . . ?
C3C C10C H10A 107.1 . . ?
C3C C10C C11C 111.72(14) . . ?
C11C C10C H10A 107.1 . . ?
C12C C10C C3C 112.79(14) . . ?
C12C C10C H10A 107.1 . . ?
C12C C10C C11C 110.63(14) . . ?
C10C C11C H11A 109.5 . . ?
C10C C11C H11B 109.5 . . ?
C10C C11C H11D 109.5 . . ?
H11A C11C H11B 109.5 . . ?
H11A C11C H11D 109.5 . . ?
H11B C11C H11D 109.5 . . ?
C10C C12C H12A 109.5 . . ?
C10C C12C H12B 109.5 . . ?
C10C C12C H12D 109.5 . . ?
H12A C12C H12B 109.5 . . ?
H12A C12C H12D 109.5 . . ?
H12B C12C H12D 109.5 . . ?
N1B O2B C3B 114.97(10) . . ?
N1D O2D C3D 114.76(10) . . ?
N1A O2A C3A 114.67(10) . . ?
O2D N1D C6D 107.88(11) . . ?
C1D N1D O2D 105.89(11) . . ?
C1D N1D C6D 120.72(12) . . ?
O2A N1A C6A 108.02(11) . . ?
C1A N1A O2A 106.21(11) . . ?
C1A N1A C6A 120.34(12) . . ?
O2B N1B C6B 107.98(11) . . ?
C1B N1B O2B 105.92(11) . . ?
C1B N1B C6B 120.77(12) . . ?
H5DA C5D H5DB 108.0 . . ?
C4D C5D H5DA 109.4 . . ?
C4D C5D H5DB 109.4 . . ?
C4D C5D C6D 111.12(13) . . ?
C6D C5D H5DA 109.4 . . ?
C6D C5D H5DB 109.4 . . ?
O2A C3A C10A 103.98(12) . . ?
O2A C3A C8A 108.52(12) . . ?
O2A C3A C4A 104.35(12) . . ?
C10A C3A C4A 114.03(13) . . ?
C8A C3A C10A 117.03(13) . . ?
C8A C3A C4A 107.99(13) . . ?
C3B C8B H8B 122.8 . . ?
C7B C8B H8B 122.8 . . ?
C7B C8B C3B 114.45(14) . . ?
N1A C6A C5A 103.08(12) . . ?
C7A C6A N1A 107.53(13) . . ?
C7A C6A C5A 108.80(14) . . ?
C7A C6A C9A 115.83(14) . . ?
C9A C6A N1A 112.44(13) . . ?
C9A C6A C5A 108.35(14) . . ?
C3A C10A H10G 107.0 . . ?
C3A C10A C11A 111.75(13) . . ?
C12A C10A C3A 113.36(13) . . ?
C12A C10A H10G 107.0 . . ?
C12A C10A C11A 110.42(14) . . ?
C11A C10A H10G 107.0 . . ?
C3D C8D H8D 122.9 . . ?
C7D C8D H8D 122.9 . . ?
C7D C8D C3D 114.29(14) . . ?
H11I C11D H11J 109.5 . . ?
H11I C11D H11K 109.5 . . ?
H11J C11D H11K 109.5 . . ?
C10D C11D H11I 109.5 . . ?
C10D C11D H11J 109.5 . . ?
C10D C11D H11K 109.5 . . ?
C11D C10D H10E 107.5 . . ?
C3D C10D C11D 110.24(13) . . ?
C3D C10D H10E 107.5 . . ?
C3D C10D C12D 113.77(14) . . ?
C12D C10D C11D 110.14(14) . . ?
C12D C10D H10E 107.5 . . ?
C3A C8A H8A 122.8 . . ?
C7A C8A C3A 114.36(15) . . ?
C7A C8A H8A 122.8 . . ?
N1B C1B C2B 112.41(12) . . ?
N1B C1B B5B 127.76(13) . . ?
N1B C1B B6B 114.65(12) . . ?
N1B C1B B3B 115.42(13) . . ?
N1B C1B B4B 128.59(13) . . ?
C2B C1B B5B 107.91(12) . . ?
C2B C1B B6B 59.19(10) . . ?
C2B C1B B3B 59.30(10) . . ?
C2B C1B B4B 108.05(13) . . ?
B5B C1B B6B 61.95(10) . . ?
B5B C1B B3B 113.17(13) . . ?
B3B C1B B6B 110.80(13) . . ?
B4B C1B B5B 62.76(11) . . ?
B4B C1B B6B 112.75(13) . . ?
B4B C1B B3B 62.34(11) . . ?
C10A C12A H12M 109.5 . . ?
C10A C12A H12N 109.5 . . ?
C10A C12A H12O 109.5 . . ?
H12M C12A H12N 109.5 . . ?
H12M C12A H12O 109.5 . . ?
H12N C12A H12O 109.5 . . ?
C1D C2D H2D 112.9(10) . . ?
C1D C2D B6D 62.10(10) . . ?
C1D C2D B3D 61.53(10) . . ?
C1D C2D B7D 112.72(12) . . ?
B6D C2D H2D 113.9(10) . . ?
B3D C2D H2D 115.2(9) . . ?
B3D C2D B6D 115.29(12) . . ?
B7D C2D H2D 123.5(10) . . ?
B7D C2D B6D 115.96(13) . . ?
B7D C2D B3D 63.18(11) . . ?
B11D C2D H2D 122.8(9) . . ?
B11D C2D C1D 112.96(12) . . ?
B11D C2D B6D 63.22(11) . . ?
B11D C2D B3D 115.75(13) . . ?
B11D C2D B7D 63.33(11) . . ?
C3B C10B H10B 107.3 . . ?
C3B C10B C12B 113.17(14) . . ?
C12B C10B H10B 107.3 . . ?
C11B C10B H10B 107.3 . . ?
C11B C10B C3B 111.03(15) . . ?
C11B C10B C12B 110.55(15) . . ?
O2D C3D C8D 108.48(12) . . ?
O2D C3D C10D 104.51(12) . . ?
O2D C3D C4D 104.40(12) . . ?
C8D C3D C10D 116.29(13) . . ?
C8D C3D C4D 108.33(13) . . ?
C10D C3D C4D 113.96(13) . . ?
N1D C1D C2D 112.63(12) . . ?
N1D C1D B4D 128.24(13) . . ?
N1D C1D B5D 127.60(13) . . ?
N1D C1D B6D 114.59(12) . . ?
N1D C1D B3D 115.46(12) . . ?
C2D C1D B4D 108.21(12) . . ?
C2D C1D B5D 107.94(12) . . ?
C2D C1D B6D 59.39(9) . . ?
C2D C1D B3D 59.29(10) . . ?
B4D C1D B5D 62.78(11) . . ?
B4D C1D B6D 112.98(12) . . ?
B4D C1D B3D 62.45(10) . . ?
B5D C1D B6D 61.93(10) . . ?
B5D C1D B3D 113.20(13) . . ?
B3D C1D B6D 111.05(12) . . ?
N1A C1A C2A 112.21(11) . . ?
N1A C1A B6A 115.59(13) . . ?
N1A C1A B5A 128.69(13) . . ?
N1A C1A B3A 114.04(13) . . ?
N1A C1A B4A 127.64(13) . . ?
C2A C1A B6A 59.33(10) . . ?
C2A C1A B5A 107.78(12) . . ?
C2A C1A B3A 59.29(10) . . ?
C2A C1A B4A 108.21(12) . . ?
B5A C1A B6A 61.66(11) . . ?
B5A C1A B3A 113.48(12) . . ?
B3A C1A B6A 111.03(12) . . ?
B4A C1A B6A 113.08(13) . . ?
B4A C1A B5A 63.22(11) . . ?
B4A C1A B3A 62.44(11) . . ?
C1A C2A H2A 111.7(9) . . ?
C1A C2A B7A 112.75(12) . . ?
C1A C2A B6A 62.25(10) . . ?
C1A C2A B3A 61.64(10) . . ?
C1A C2A B11A 113.26(12) . . ?
B7A C2A H2A 125.4(10) . . ?
B7A C2A B6A 115.80(13) . . ?
B7A C2A B3A 63.26(11) . . ?
B6A C2A H2A 112.2(10) . . ?
B3A C2A H2A 115.9(9) . . ?
B3A C2A B6A 115.54(13) . . ?
B11A C2A H2A 122.8(9) . . ?
B11A C2A B7A 62.87(11) . . ?
B11A C2A B6A 63.50(11) . . ?
B11A C2A B3A 115.68(13) . . ?
C10D C12D H12I 109.5 . . ?
C10D C12D H12J 109.5 . . ?
C10D C12D H12K 109.5 . . ?
H12I C12D H12J 109.5 . . ?
H12I C12D H12K 109.5 . . ?
H12J C12D H12K 109.5 . . ?
C3A C4A H4AA 110.3 . . ?
C3A C4A H4AB 110.3 . . ?
C3A C4A C5A 107.29(13) . . ?
H4AA C4A H4AB 108.5 . . ?
C5A C4A H4AA 110.3 . . ?
C5A C4A H4AB 110.3 . . ?
C5D C4D H4DA 110.2 . . ?
C5D C4D H4DB 110.2 . . ?
C3D C4D C5D 107.34(13) . . ?
C3D C4D H4DA 110.2 . . ?
C3D C4D H4DB 110.2 . . ?
H4DA C4D H4DB 108.5 . . ?
C1B C2B H2B 111.5(10) . . ?
C1B C2B B7B 112.88(12) . . ?
C1B C2B B6B 62.29(10) . . ?
C1B C2B B3B 61.87(10) . . ?
C1B C2B B11B 113.20(12) . . ?
B7B C2B H2B 124.1(9) . . ?
B7B C2B B6B 115.69(13) . . ?
B6B C2B H2B 114.1(9) . . ?
B3B C2B H2B 114.0(10) . . ?
B3B C2B B7B 63.13(11) . . ?
B3B C2B B6B 115.64(13) . . ?
B11B C2B H2B 124.2(10) . . ?
B11B C2B B7B 62.99(11) . . ?
B11B C2B B6B 63.23(11) . . ?
B11B C2B B3B 115.65(13) . . ?
N1D C6D C5D 102.35(12) . . ?
C9D C6D N1D 113.38(13) . . ?
C9D C6D C5D 108.93(13) . . ?
C7D C6D N1D 108.07(12) . . ?
C7D C6D C5D 109.46(14) . . ?
C7D C6D C9D 113.99(13) . . ?
C6A C5A H5AA 109.3 . . ?
C6A C5A H5AB 109.3 . . ?
C4A C5A C6A 111.52(13) . . ?
C4A C5A H5AA 109.3 . . ?
C4A C5A H5AB 109.3 . . ?
H5AA C5A H5AB 108.0 . . ?
C6A C7A H7A 122.5 . . ?
C8A C7A C6A 114.95(14) . . ?
C8A C7A H7A 122.5 . . ?
O2B C3B C8B 108.97(13) . . ?
O2B C3B C10B 104.17(12) . . ?
O2B C3B C4B 104.14(12) . . ?
C8B C3B C10B 116.96(13) . . ?
C8B C3B C4B 106.80(13) . . ?
C10B C3B C4B 114.91(13) . . ?
C6A C9A H9AA 109.5 . . ?
C6A C9A H9AB 109.5 . . ?
C6A C9A H9AC 109.5 . . ?
H9AA C9A H9AB 109.5 . . ?
H9AA C9A H9AC 109.5 . . ?
H9AB C9A H9AC 109.5 . . ?
C3B C4B H4BA 110.2 . . ?
C3B C4B H4BB 110.2 . . ?
H4BA C4B H4BB 108.5 . . ?
C5B C4B C3B 107.66(13) . . ?
C5B C4B H4BA 110.2 . . ?
C5B C4B H4BB 110.2 . . ?
C10A C11A H11M 109.5 . . ?
C10A C11A H11N 109.5 . . ?
C10A C11A H11O 109.5 . . ?
H11M C11A H11N 109.5 . . ?
H11M C11A H11O 109.5 . . ?
H11N C11A H11O 109.5 . . ?
C4B C5B H5BA 109.4 . . ?
C4B C5B H5BB 109.4 . . ?
C4B C5B C6B 111.28(13) . . ?
H5BA C5B H5BB 108.0 . . ?
C6B C5B H5BA 109.4 . . ?
C6B C5B H5BB 109.4 . . ?
C8B C7B H7B 122.5 . . ?
C8B C7B C6B 115.05(14) . . ?
C6B C7B H7B 122.5 . . ?
N1B C6B C5B 102.52(12) . . ?
C7B C6B N1B 107.94(13) . . ?
C7B C6B C5B 108.70(14) . . ?
C7B C6B C9B 114.95(14) . . ?
C9B C6B N1B 112.79(14) . . ?
C9B C6B C5B 109.17(13) . . ?
C6B C9B H9BA 109.5 . . ?
C6B C9B H9BB 109.5 . . ?
C6B C9B H9BC 109.5 . . ?
H9BA C9B H9BB 109.5 . . ?
H9BA C9B H9BC 109.5 . . ?
H9BB C9B H9BC 109.5 . . ?
C10B C12B H12E 109.5 . . ?
C10B C12B H12F 109.5 . . ?
C10B C12B H12G 109.5 . . ?
H12E C12B H12F 109.5 . . ?
H12E C12B H12G 109.5 . . ?
H12F C12B H12G 109.5 . . ?
C10B C11B H11E 109.5 . . ?
C10B C11B H11F 109.5 . . ?
C10B C11B H11G 109.5 . . ?
H11E C11B H11F 109.5 . . ?
H11E C11B H11G 109.5 . . ?
H11F C11B H11G 109.5 . . ?
C6D C9D H9DA 109.5 . . ?
C6D C9D H9DB 109.5 . . ?
C6D C9D H9DC 109.5 . . ?
H9DA C9D H9DB 109.5 . . ?
H9DA C9D H9DC 109.5 . . ?
H9DB C9D H9DC 109.5 . . ?
C8D C7D C6D 114.62(14) . . ?
C8D C7D H7D 122.7 . . ?
C6D C7D H7D 122.7 . . ?
C1D B4D H4D 117.2(8) . . ?
C1D B4D B5D 59.01(10) . . ?
C1D B4D B3D 59.64(10) . . ?
C1D B4D B8D 106.35(13) . . ?
C1D B4D B9D 105.68(13) . . ?
B5D B4D H4D 118.2(9) . . ?
B3D B4D H4D 120.9(9) . . ?
B3D B4D B5D 107.93(13) . . ?
B8D B4D H4D 127.5(9) . . ?
B8D B4D B5D 108.45(14) . . ?
B8D B4D B3D 59.41(11) . . ?
B9D B4D H4D 126.7(8) . . ?
B9D B4D B5D 59.92(11) . . ?
B9D B4D B3D 107.21(13) . . ?
B9D B4D B8D 60.22(11) . . ?
C2A B7A H7AA 118.5(8) . . ?
C2A B7A B8A 104.40(13) . . ?
C2A B7A B3A 58.41(10) . . ?
C2A B7A B11A 58.39(10) . . ?
C2A B7A B12A 104.43(14) . . ?
B8A B7A H7AA 125.7(8) . . ?
B8A B7A B3A 59.67(11) . . ?
B3A B7A H7AA 117.2(8) . . ?
B11A B7A H7AA 120.8(8) . . ?
B11A B7A B8A 109.08(14) . . ?
B11A B7A B3A 107.96(14) . . ?
B12A B7A H7AA 128.7(8) . . ?
B12A B7A B8A 61.11(11) . . ?
B12A B7A B3A 108.42(14) . . ?
B12A B7A B11A 60.20(11) . . ?
C2B B7B H7BA 117.3(8) . . ?
C2B B7B B8B 104.09(14) . . ?
C2B B7B B12B 104.17(14) . . ?
C2B B7B B3B 58.44(10) . . ?
C2B B7B B11B 58.37(10) . . ?
B8B B7B H7BA 126.1(8) . . ?
B8B B7B B3B 59.69(11) . . ?
B12B B7B H7BA 130.7(9) . . ?
B12B B7B B8B 60.88(11) . . ?
B12B B7B B3B 108.38(14) . . ?
B3B B7B H7BA 115.3(9) . . ?
B11B B7B H7BA 121.8(9) . . ?
B11B B7B B8B 108.52(14) . . ?
B11B B7B B12B 59.92(11) . . ?
B11B B7B B3B 107.95(14) . . ?
C1B B5B H5B 117.0(8) . . ?
C1B B5B B6B 60.03(10) . . ?
C1B B5B B4B 58.47(10) . . ?
C1B B5B B9B 105.15(13) . . ?
C1B B5B B10B 106.04(13) . . ?
B6B B5B H5B 118.6(8) . . ?
B4B B5B H5B 120.5(9) . . ?
B4B B5B B6B 107.77(13) . . ?
B9B B5B H5B 128.6(8) . . ?
B9B B5B B6B 107.16(14) . . ?
B9B B5B B4B 59.66(11) . . ?
B9B B5B B10B 60.27(11) . . ?
B10B B5B H5B 126.7(9) . . ?
B10B B5B B6B 59.11(11) . . ?
B10B B5B B4B 107.98(14) . . ?
B5A B9A H9A 121.4(9) . . ?
B5A B9A B8A 108.47(14) . . ?
B5A B9A B4A 60.49(11) . . ?
B8A B9A H9A 119.9(10) . . ?
B10A B9A H9A 123.7(9) . . ?
B10A B9A B5A 59.84(12) . . ?
B10A B9A B8A 108.99(14) . . ?
B10A B9A B4A 108.53(14) . . ?
B4A B9A H9A 119.0(9) . . ?
B4A B9A B8A 59.79(12) . . ?
B12A B9A H9A 122.3(9) . . ?
B12A B9A B5A 109.01(14) . . ?
B12A B9A B8A 60.54(12) . . ?
B12A B9A B10A 60.93(12) . . ?
B12A B9A B4A 108.78(14) . . ?
C1D B5D B4D 58.21(10) . . ?
C1D B5D H5D 117.4(8) . . ?
C1D B5D B6D 60.09(10) . . ?
C1D B5D B9D 104.94(13) . . ?
C1D B5D B10D 106.06(13) . . ?
B4D B5D H5D 121.5(8) . . ?
B4D B5D B6D 107.82(13) . . ?
B6D B5D H5D 117.6(8) . . ?
B9D B5D B4D 59.78(11) . . ?
B9D B5D H5D 129.0(8) . . ?
B9D B5D B6D 107.30(13) . . ?
B9D B5D B10D 60.11(11) . . ?
B10D B5D B4D 107.98(14) . . ?
B10D B5D H5D 125.9(8) . . ?
B10D B5D B6D 59.38(10) . . ?
C1A B6A H6A 119.3(8) . . ?
C1A B6A B5A 57.99(10) . . ?
C1A B6A B10A 104.98(14) . . ?
C1A B6A B11A 105.56(14) . . ?
C2A B6A C1A 58.42(10) . . ?
C2A B6A H6A 119.3(9) . . ?
C2A B6A B5A 104.18(13) . . ?
C2A B6A B10A 103.75(14) . . ?
C2A B6A B11A 57.70(10) . . ?
B5A B6A H6A 125.3(9) . . ?
B5A B6A B11A 107.87(14) . . ?
B10A B6A H6A 129.4(9) . . ?
B10A B6A B5A 60.14(11) . . ?
B10A B6A B11A 60.01(11) . . ?
B11A B6A H6A 122.6(8) . . ?
C1A B5A B9A 104.88(14) . . ?
C1A B5A B6A 60.34(10) . . ?
C1A B5A H5A 118.6(8) . . ?
C1A B5A B10A 106.27(13) . . ?
C1A B5A B4A 58.29(10) . . ?
B9A B5A H5A 127.6(8) . . ?
B9A B5A B4A 59.70(12) . . ?
B6A B5A B9A 107.14(14) . . ?
B6A B5A H5A 118.9(8) . . ?
B6A B5A B4A 108.07(13) . . ?
B10A B5A B9A 59.86(12) . . ?
B10A B5A B6A 59.45(11) . . ?
B10A B5A H5A 125.5(9) . . ?
B10A B5A B4A 107.91(14) . . ?
B4A B5A H5A 121.1(9) . . ?
B7A B8A B9A 106.40(15) . . ?
B7A B8A H8AA 121.7(9) . . ?
B7A B8A B4A 108.48(14) . . ?
B7A B8A B12A 59.25(11) . . ?
B9A B8A H8AA 122.7(9) . . ?
B3A B8A B7A 60.38(11) . . ?
B3A B8A B9A 107.30(14) . . ?
B3A B8A H8AA 122.1(9) . . ?
B3A B8A B4A 60.47(11) . . ?
B3A B8A B12A 107.50(14) . . ?
B4A B8A B9A 59.73(12) . . ?
B4A B8A H8AA 121.9(9) . . ?
B4A B8A B12A 107.49(15) . . ?
B12A B8A B9A 59.00(12) . . ?
B12A B8A H8AA 121.8(9) . . ?
C2D B6D C1D 58.51(9) . . ?
C2D B6D B5D 104.14(13) . . ?
C2D B6D H6D 119.1(8) . . ?
C2D B6D B10D 103.65(14) . . ?
C2D B6D B11D 57.71(10) . . ?
C1D B6D B5D 57.98(9) . . ?
C1D B6D H6D 118.3(8) . . ?
C1D B6D B10D 104.94(13) . . ?
C1D B6D B11D 105.66(13) . . ?
B5D B6D H6D 124.8(8) . . ?
B10D B6D B5D 60.05(10) . . ?
B10D B6D H6D 130.2(8) . . ?
B10D B6D B11D 59.95(11) . . ?
B11D B6D B5D 107.78(14) . . ?
B11D B6D H6D 123.4(8) . . ?
C2D B3D C1D 59.18(10) . . ?
C2D B3D B4D 104.58(13) . . ?
C2D B3D H3D 116.7(8) . . ?
C2D B3D B7D 58.35(10) . . ?
C2D B3D B8D 104.43(13) . . ?
C1D B3D B4D 57.91(10) . . ?
C1D B3D H3D 118.8(9) . . ?
C1D B3D B7D 106.93(13) . . ?
C1D B3D B8D 105.58(13) . . ?
B4D B3D H3D 127.5(8) . . ?
B7D B3D B4D 108.18(14) . . ?
B7D B3D H3D 120.4(9) . . ?
B8D B3D B4D 60.14(11) . . ?
B8D B3D H3D 130.3(9) . . ?
B8D B3D B7D 60.12(11) . . ?
C1B B6B B5B 58.01(10) . . ?
C1B B6B H6B 118.0(9) . . ?
C1B B6B B10B 105.26(13) . . ?
C1B B6B B11B 106.10(13) . . ?
C2B B6B C1B 58.52(9) . . ?
C2B B6B B5B 104.28(13) . . ?
C2B B6B H6B 118.6(8) . . ?
C2B B6B B10B 104.19(13) . . ?
C2B B6B B11B 58.15(10) . . ?
B5B B6B H6B 124.9(8) . . ?
B10B B6B B5B 60.12(11) . . ?
B10B B6B H6B 130.1(8) . . ?
B10B B6B B11B 60.12(11) . . ?
B11B B6B B5B 108.03(14) . . ?
B11B B6B H6B 123.2(9) . . ?
B7B B8B H8BA 120.8(8) . . ?
B7B B8B B12B 59.57(11) . . ?
B7B B8B B4B 108.64(14) . . ?
B7B B8B B9B 107.15(14) . . ?
B12B B8B H8BA 125.4(9) . . ?
B3B B8B B7B 60.32(11) . . ?
B3B B8B H8BA 117.6(8) . . ?
B3B B8B B12B 107.84(14) . . ?
B3B B8B B4B 60.62(11) . . ?
B3B B8B B9B 107.70(14) . . ?
B4B B8B H8BA 119.9(9) . . ?
B4B B8B B12B 107.73(14) . . ?
B4B B8B B9B 59.63(11) . . ?
B9B B8B H8BA 125.4(8) . . ?
B9B B8B B12B 59.48(11) . . ?
C2D B7D B3D 58.47(10) . . ?
C2D B7D H7DA 118.7(8) . . ?
C2D B7D B8D 104.12(13) . . ?
C2D B7D B11D 58.10(10) . . ?
C2D B7D B12D 104.23(14) . . ?
B3D B7D H7DA 118.2(8) . . ?
B3D B7D B11D 107.55(14) . . ?
B8D B7D B3D 59.59(11) . . ?
B8D B7D H7DA 126.7(8) . . ?
B8D B7D B11D 108.35(14) . . ?
B8D B7D B12D 60.67(11) . . ?
B11D B7D H7DA 120.3(8) . . ?
B12D B7D B3D 108.10(14) . . ?
B12D B7D H7DA 128.2(8) . . ?
B12D B7D B11D 60.13(11) . . ?
C1A B3A B7A 106.73(13) . . ?
C1A B3A B8A 105.85(13) . . ?
C1A B3A H3A 118.3(9) . . ?
C1A B3A B4A 58.12(10) . . ?
C2A B3A C1A 59.07(10) . . ?
C2A B3A B7A 58.32(10) . . ?
C2A B3A B8A 104.54(14) . . ?
C2A B3A H3A 117.5(8) . . ?
C2A B3A B4A 104.66(14) . . ?
B7A B3A H3A 121.8(9) . . ?
B7A B3A B4A 107.96(14) . . ?
B8A B3A B7A 59.95(11) . . ?
B8A B3A H3A 129.9(8) . . ?
B8A B3A B4A 60.25(11) . . ?
B4A B3A H3A 126.2(8) . . ?
B4D B8D H8DA 120.5(9) . . ?
B4D B8D B9D 59.78(11) . . ?
B4D B8D B12D 107.81(14) . . ?
B3D B8D B4D 60.45(11) . . ?
B3D B8D B7D 60.29(11) . . ?
B3D B8D H8DA 120.2(9) . . ?
B3D B8D B9D 107.68(14) . . ?
B3D B8D B12D 107.84(14) . . ?
B7D B8D B4D 108.55(14) . . ?
B7D B8D H8DA 121.8(9) . . ?
B7D B8D B9D 107.23(14) . . ?
B7D B8D B12D 59.65(11) . . ?
B9D B8D H8DA 123.2(9) . . ?
B9D B8D B12D 59.48(11) . . ?
B12D B8D H8DA 123.5(9) . . ?
B7B B12B B8B 59.56(11) . . ?
B7B B12B H12H 121.0(8) . . ?
B7B B12B B9B 107.58(14) . . ?
B7B B12B B10B 107.55(14) . . ?
B8B B12B H12H 121.5(9) . . ?
B9B B12B B8B 60.02(11) . . ?
B9B B12B H12H 122.6(8) . . ?
B9B B12B B10B 59.90(11) . . ?
B10B B12B B8B 107.68(14) . . ?
B10B B12B H12H 122.9(8) . . ?
B11B B12B B7B 60.04(11) . . ?
B11B B12B B8B 107.57(14) . . ?
B11B B12B H12H 121.7(9) . . ?
B11B B12B B9B 107.59(14) . . ?
B11B B12B B10B 59.63(11) . . ?
B4D B9D B5D 60.30(11) . . ?
B4D B9D B8D 60.01(11) . . ?
B4D B9D H9D 120.4(8) . . ?
B4D B9D B10D 108.34(13) . . ?
B5D B9D B8D 108.59(13) . . ?
B5D B9D H9D 120.0(9) . . ?
B5D B9D B10D 60.04(11) . . ?
B8D B9D H9D 122.0(9) . . ?
B10D B9D B8D 108.72(13) . . ?
B10D B9D H9D 121.7(8) . . ?
B12D B9D B4D 108.86(13) . . ?
B12D B9D B5D 109.07(13) . . ?
B12D B9D B8D 60.55(11) . . ?
B12D B9D H9D 122.4(9) . . ?
B12D B9D B10D 60.60(11) . . ?
C1B B3B B7B 106.66(13) . . ?
C1B B3B B8B 105.45(13) . . ?
C1B B3B H3B 117.5(9) . . ?
C1B B3B B4B 58.02(10) . . ?
C2B B3B C1B 58.83(10) . . ?
C2B B3B B7B 58.43(11) . . ?
C2B B3B B8B 104.31(14) . . ?
C2B B3B H3B 119.3(8) . . ?
C2B B3B B4B 104.31(13) . . ?
B7B B3B H3B 123.8(9) . . ?
B7B B3B B4B 107.84(14) . . ?
B8B B3B B7B 59.98(11) . . ?
B8B B3B H3B 129.8(8) . . ?
B8B B3B B4B 59.96(11) . . ?
B4B B3B H3B 124.1(9) . . ?
B5D B10D B9D 59.85(11) . . ?
B5D B10D H10F 120.1(9) . . ?
B5D B10D B12D 108.01(14) . . ?
B6D B10D B5D 60.57(10) . . ?
B6D B10D B9D 108.03(13) . . ?
B6D B10D H10F 119.0(8) . . ?
B6D B10D B11D 60.40(10) . . ?
B6D B10D B12D 108.39(13) . . ?
B9D B10D H10F 123.7(8) . . ?
B9D B10D B12D 59.47(11) . . ?
B11D B10D B5D 108.54(13) . . ?
B11D B10D B9D 107.22(14) . . ?
B11D B10D H10F 121.7(8) . . ?
B11D B10D B12D 59.80(11) . . ?
B12D B10D H10F 124.0(9) . . ?
C1B B4B B5B 58.76(10) . . ?
C1B B4B B8B 106.30(13) . . ?
C1B B4B B3B 59.64(10) . . ?
C1B B4B H4B 118.1(8) . . ?
C1B B4B B9B 105.53(13) . . ?
B5B B4B B3B 107.79(13) . . ?
B5B B4B H4B 120.5(8) . . ?
B8B B4B B5B 108.49(14) . . ?
B8B B4B B3B 59.42(11) . . ?
B8B B4B H4B 125.6(8) . . ?
B3B B4B H4B 119.3(8) . . ?
B9B B4B B5B 59.85(11) . . ?
B9B B4B B8B 60.48(12) . . ?
B9B B4B B3B 107.43(14) . . ?
B9B B4B H4B 127.3(8) . . ?
C2D B11D B6D 59.07(10) . . ?
C2D B11D B7D 58.57(11) . . ?
C2D B11D B10D 104.46(13) . . ?
C2D B11D H11L 117.0(8) . . ?
C2D B11D B12D 104.41(14) . . ?
B6D B11D H11L 116.2(9) . . ?
B7D B11D B6D 108.61(14) . . ?
B7D B11D H11L 120.5(9) . . ?
B7D B11D B12D 59.90(11) . . ?
B10D B11D B6D 59.65(11) . . ?
B10D B11D B7D 108.47(13) . . ?
B10D B11D H11L 127.0(9) . . ?
B10D B11D B12D 60.66(11) . . ?
B12D B11D B6D 108.47(13) . . ?
B12D B11D H11L 130.0(9) . . ?
B9A B10A B5A 60.31(12) . . ?
B9A B10A H10H 124.8(9) . . ?
B9A B10A B12A 59.35(12) . . ?
B6A B10A B9A 108.27(14) . . ?
B6A B10A B5A 60.42(11) . . ?
B6A B10A H10H 119.8(9) . . ?
B6A B10A B11A 60.68(11) . . ?
B6A B10A B12A 108.25(14) . . ?
B5A B10A H10H 123.3(9) . . ?
B5A B10A B12A 108.12(15) . . ?
B11A B10A B9A 106.99(15) . . ?
B11A B10A B5A 108.61(14) . . ?
B11A B10A H10H 118.9(9) . . ?
B11A B10A B12A 59.37(11) . . ?
B12A B10A H10H 121.5(9) . . ?
C1A B4A B9A 105.12(14) . . ?
C1A B4A B5A 58.49(10) . . ?
C1A B4A B8A 106.13(13) . . ?
C1A B4A B3A 59.45(10) . . ?
C1A B4A H4A 119.2(8) . . ?
B9A B4A B5A 59.81(12) . . ?
B9A B4A B3A 106.96(14) . . ?
B9A B4A H4A 125.5(9) . . ?
B5A B4A H4A 119.0(9) . . ?
B8A B4A B9A 60.48(12) . . ?
B8A B4A B5A 108.48(15) . . ?
B8A B4A B3A 59.28(11) . . ?
B8A B4A H4A 126.2(9) . . ?
B3A B4A B5A 107.31(13) . . ?
B3A B4A H4A 121.9(9) . . ?
B5B B9B B8B 108.52(13) . . ?
B5B B9B B12B 108.89(13) . . ?
B5B B9B H9B 119.4(8) . . ?
B5B B9B B10B 59.88(11) . . ?
B8B B9B H9B 122.6(8) . . ?
B12B B9B B8B 60.50(11) . . ?
B12B B9B H9B 122.9(9) . . ?
B12B B9B B10B 60.52(11) . . ?
B4B B9B B5B 60.48(11) . . ?
B4B B9B B8B 59.89(11) . . ?
B4B B9B B12B 108.76(14) . . ?
B4B B9B H9B 120.2(9) . . ?
B4B B9B B10B 108.32(13) . . ?
B10B B9B B8B 108.54(13) . . ?
B10B B9B H9B 121.6(8) . . ?
C2A B11A B7A 58.73(10) . . ?
C2A B11A B6A 58.80(10) . . ?
C2A B11A B10A 104.05(13) . . ?
C2A B11A H11P 117.9(8) . . ?
C2A B11A B12A 104.45(14) . . ?
B7A B11A B6A 108.51(14) . . ?
B7A B11A B10A 108.53(14) . . ?
B7A B11A H11P 121.8(9) . . ?
B7A B11A B12A 59.88(11) . . ?
B6A B11A H11P 115.7(9) . . ?
B10A B11A B6A 59.31(11) . . ?
B10A B11A H11P 125.8(9) . . ?
B12A B11A B6A 108.41(14) . . ?
B12A B11A B10A 60.92(11) . . ?
B12A B11A H11P 129.9(8) . . ?
B5B B10B B12B 108.10(14) . . ?
B5B B10B B9B 59.84(11) . . ?
B5B B10B H10D 121.1(8) . . ?
B6B B10B B5B 60.77(11) . . ?
B6B B10B B12B 108.25(13) . . ?
B6B B10B B9B 108.13(14) . . ?
B6B B10B H10D 119.3(8) . . ?
B6B B10B B11B 60.57(11) . . ?
B12B B10B H10D 123.1(8) . . ?
B9B B10B B12B 59.58(11) . . ?
B9B B10B H10D 124.1(8) . . ?
B11B B10B B5B 108.90(14) . . ?
B11B B10B B12B 59.51(11) . . ?
B11B B10B B9B 107.24(14) . . ?
B11B B10B H10D 120.6(8) . . ?
B7A B12A B9A 107.86(14) . . ?
B7A B12A B8A 59.63(11) . . ?
B7A B12A B10A 107.60(14) . . ?
B7A B12A B11A 59.92(11) . . ?
B7A B12A H12P 120.9(9) . . ?
B9A B12A B8A 60.46(12) . . ?
B9A B12A B10A 59.73(12) . . ?
B9A B12A B11A 107.57(14) . . ?
B9A B12A H12P 123.8(8) . . ?
B8A B12A B10A 107.99(14) . . ?
B8A B12A H12P 123.3(9) . . ?
B10A B12A H12P 121.5(9) . . ?
B11A B12A B8A 107.68(13) . . ?
B11A B12A B10A 59.72(11) . . ?
B11A B12A H12P 119.7(8) . . ?
C2B B11B B7B 58.63(11) . . ?
C2B B11B B6B 58.62(10) . . ?
C2B B11B B12B 104.46(13) . . ?
C2B B11B B10B 103.93(13) . . ?
C2B B11B H11H 117.3(8) . . ?
B7B B11B B6B 108.28(14) . . ?
B7B B11B B10B 108.53(13) . . ?
B7B B11B H11H 121.0(8) . . ?
B6B B11B H11H 116.0(8) . . ?
B12B B11B B7B 60.04(11) . . ?
B12B B11B B6B 108.33(14) . . ?
B12B B11B B10B 60.86(11) . . ?
B12B B11B H11H 130.1(8) . . ?
B10B B11B B6B 59.31(11) . . ?
B10B B11B H11H 126.7(8) . . ?
B7D B12D B8D 59.68(11) . . ?
B7D B12D B10D 107.64(14) . . ?
B7D B12D B11D 59.98(11) . . ?
B7D B12D H12L 120.6(9) . . ?
B8D B12D H12L 124.1(9) . . ?
B9D B12D B7D 107.65(14) . . ?
B9D B12D B8D 59.97(11) . . ?
B9D B12D B10D 59.93(11) . . ?
B9D B12D B11D 107.38(14) . . ?
B9D B12D H12L 124.5(9) . . ?
B10D B12D B8D 107.73(14) . . ?
B10D B12D H12L 121.4(9) . . ?
B11D B12D B8D 107.45(14) . . ?
B11D B12D B10D 59.54(11) . . ?
B11D B12D H12L 119.2(8) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C2C H2C O2D 0.965(15) 2.272(16) 3.1683(19) 154.1(13) .
C2D H2D O2C 0.973(16) 2.258(16) 3.1651(19) 154.6(13) .
C2A H2A O2B 0.971(15) 2.293(16) 3.2179(19) 159.0(13) .
C2B H2B O2A 0.972(16) 2.274(16) 3.2211(19) 164.3(14) .

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
C1C N1C O2C C3C 126.67(12) . . . . ?
C1C N1C C6C C5C 178.66(13) . . . . ?
C1C N1C C6C C7C -66.15(18) . . . . ?
C1C N1C C6C C9C 61.24(17) . . . . ?
C1C C2C B3C B4C 37.84(11) . . . . ?
C1C C2C B3C B7C 140.08(13) . . . . ?
C1C C2C B3C B8C 99.95(13) . . . . ?
C1C C2C B6C B5C -37.18(11) . . . . ?
C1C C2C B6C B10C -99.55(13) . . . . ?
C1C C2C B6C B11C -139.81(13) . . . . ?
C1C C2C B7C B3C -37.76(12) . . . . ?
C1C C2C B7C B8C 2.12(17) . . . . ?
C1C C2C B7C B11C 105.47(13) . . . . ?
C1C C2C B7C B12C 65.15(15) . . . . ?
C1C C2C B11C B6C 38.41(12) . . . . ?
C1C C2C B11C B7C -104.80(14) . . . . ?
C1C C2C B11C B10C -1.45(17) . . . . ?
C1C C2C B11C B12C -64.52(16) . . . . ?
C1C B3C B4C B5C 34.95(12) . . . . ?
C1C B3C B4C B8C 136.73(13) . . . . ?
C1C B3C B4C B9C 98.42(13) . . . . ?
C1C B3C B7C C2C 35.21(11) . . . . ?
C1C B3C B7C B8C -98.65(13) . . . . ?
C1C B3C B7C B11C 2.96(16) . . . . ?
C1C B3C B7C B12C -60.72(15) . . . . ?
C1C B3C B8C B4C -37.20(11) . . . . ?
C1C B3C B8C B7C 100.84(13) . . . . ?
C1C B3C B8C B9C 0.88(16) . . . . ?
C1C B3C B8C B12C 63.72(15) . . . . ?
C1C B4C B5C B6C 35.95(12) . . . . ?
C1C B4C B5C B9C 135.58(13) . . . . ?
C1C B4C B5C B10C 98.26(13) . . . . ?
C1C B4C B8C B3C 37.98(12) . . . . ?
C1C B4C B8C B7C 0.13(17) . . . . ?
C1C B4C B8C B9C -99.15(13) . . . . ?
C1C B4C B8C B12C -62.74(15) . . . . ?
C1C B4C B9C B5C -38.46(12) . . . . ?
C1C B4C B9C B8C 100.21(13) . . . . ?
C1C B4C B9C B10C -1.07(17) . . . . ?
C1C B4C B9C B12C 63.19(16) . . . . ?
C1C B5C B6C C2C 37.57(11) . . . . ?
C1C B5C B6C B10C 135.52(14) . . . . ?
C1C B5C B6C B11C 97.85(14) . . . . ?
C1C B5C B9C B4C 38.29(11) . . . . ?
C1C B5C B9C B8C 1.35(16) . . . . ?
C1C B5C B9C B10C -99.82(13) . . . . ?
C1C B5C B9C B12C -62.85(16) . . . . ?
C1C B5C B10C B6C -39.22(12) . . . . ?
C1C B5C B10C B9C 98.73(14) . . . . ?
C1C B5C B10C B11C -1.05(17) . . . . ?
C1C B5C B10C B12C 62.28(15) . . . . ?
C1C B6C B10C B5C 37.96(12) . . . . ?
C1C B6C B10C B9C 0.14(17) . . . . ?
C1C B6C B10C B11C -99.97(13) . . . . ?
C1C B6C B10C B12C -63.26(15) . . . . ?
C1C B6C B11C C2C -35.02(11) . . . . ?
C1C B6C B11C B7C -2.28(16) . . . . ?
C1C B6C B11C B10C 98.58(13) . . . . ?
C1C B6C B11C B12C 61.37(15) . . . . ?
N1C C1C C2C B3C 107.83(14) . . . . ?
N1C C1C C2C B6C -105.54(14) . . . . ?
N1C C1C C2C B7C 146.36(13) . . . . ?
N1C C1C C2C B11C -144.50(13) . . . . ?
N1C C1C B3C C2C -101.54(13) . . . . ?
N1C C1C B3C B4C 122.82(14) . . . . ?
N1C C1C B3C B7C -136.36(13) . . . . ?
N1C C1C B3C B8C 160.86(12) . . . . ?
N1C C1C B4C B3C -102.09(17) . . . . ?
N1C C1C B4C B5C 117.59(17) . . . . ?
N1C C1C B4C B8C -140.10(15) . . . . ?
N1C C1C B4C B9C 156.74(15) . . . . ?
N1C C1C B5C B4C -120.20(16) . . . . ?
N1C C1C B5C B6C 99.88(16) . . . . ?
N1C C1C B5C B9C -159.01(14) . . . . ?
N1C C1C B5C B10C 138.55(15) . . . . ?
N1C C1C B6C C2C 102.47(13) . . . . ?
N1C C1C B6C B5C -121.24(15) . . . . ?
N1C C1C B6C B10C -160.34(13) . . . . ?
N1C C1C B6C B11C 137.05(13) . . . . ?
N1C O2C C3C C4C 65.57(14) . . . . ?
N1C O2C C3C C8C -49.37(15) . . . . ?
N1C O2C C3C C10C -174.63(10) . . . . ?
N1C C6C C7C C8C -55.15(18) . . . . ?
C2C C1C N1C O2C 100.27(12) . . . . ?
C2C C1C N1C C6C -136.18(13) . . . . ?
C2C C1C B3C B4C -135.64(13) . . . . ?
C2C C1C B3C B7C -34.81(11) . . . . ?
C2C C1C B3C B8C -97.60(13) . . . . ?
C2C C1C B4C B3C 39.15(12) . . . . ?
C2C C1C B4C B5C -101.17(13) . . . . ?
C2C C1C B4C B8C 1.14(16) . . . . ?
C2C C1C B4C B9C -62.02(15) . . . . ?
C2C C1C B5C B4C 101.42(13) . . . . ?
C2C C1C B5C B6C -38.50(12) . . . . ?
C2C C1C B5C B9C 62.60(14) . . . . ?
C2C C1C B5C B10C 0.17(16) . . . . ?
C2C C1C B6C B5C 136.29(13) . . . . ?
C2C C1C B6C B10C 97.20(14) . . . . ?
C2C C1C B6C B11C 34.59(11) . . . . ?
C2C B3C B4C C1C -38.38(11) . . . . ?
C2C B3C B4C B5C -3.43(17) . . . . ?
C2C B3C B4C B8C 98.36(14) . . . . ?
C2C B3C B4C B9C 60.04(16) . . . . ?
C2C B3C B7C B8C -133.86(14) . . . . ?
C2C B3C B7C B11C -32.26(11) . . . . ?
C2C B3C B7C B12C -95.94(14) . . . . ?
C2C B3C B8C B4C -98.75(13) . . . . ?
C2C B3C B8C B7C 39.29(12) . . . . ?
C2C B3C B8C B9C -60.67(15) . . . . ?
C2C B3C B8C B12C 2.17(17) . . . . ?
C2C B6C B10C B5C 98.83(13) . . . . ?
C2C B6C B10C B9C 61.01(16) . . . . ?
C2C B6C B10C B11C -39.10(11) . . . . ?
C2C B6C B10C B12C -2.39(16) . . . . ?
C2C B6C B11C B7C 32.73(12) . . . . ?
C2C B6C B11C B10C 133.60(13) . . . . ?
C2C B6C B11C B12C 96.39(14) . . . . ?
C2C B7C B8C B3C -39.24(12) . . . . ?
C2C B7C B8C B4C -1.32(17) . . . . ?
C2C B7C B8C B9C 61.76(16) . . . . ?
C2C B7C B8C B12C 98.87(14) . . . . ?
C2C B7C B11C B6C -32.70(12) . . . . ?
C2C B7C B11C B10C -95.49(14) . . . . ?
C2C B7C B11C B12C -133.78(13) . . . . ?
C2C B7C B12C B8C -98.28(14) . . . . ?
C2C B7C B12C B9C -60.84(15) . . . . ?
C2C B7C B12C B10C 1.96(16) . . . . ?
C2C B7C B12C B11C 39.31(12) . . . . ?
C2C B11C B12C B7C -39.72(12) . . . . ?
C2C B11C B12C B8C -2.13(17) . . . . ?
C2C B11C B12C B9C 61.00(16) . . . . ?
C2C B11C B12C B10C 97.99(14) . . . . ?
O2C N1C C6C C5C -58.64(13) . . . . ?
O2C N1C C6C C7C 56.55(14) . . . . ?
O2C N1C C6C C9C -176.06(11) . . . . ?
O2C C3C C4C C5C -54.17(15) . . . . ?
O2C C3C C8C C7C 54.55(18) . . . . ?
O2C C3C C10C C11C -167.67(13) . . . . ?
O2C C3C C10C C12C 66.97(16) . . . . ?
B3C C1C N1C O2C 165.69(10) . . . . ?
B3C C1C N1C C6C -70.76(17) . . . . ?
B3C C1C C2C B6C 146.63(13) . . . . ?
B3C C1C C2C B7C 38.52(13) . . . . ?
B3C C1C C2C B11C 107.67(15) . . . . ?
B3C C1C B4C B5C -140.32(13) . . . . ?
B3C C1C B4C B8C -38.01(12) . . . . ?
B3C C1C B4C B9C -101.17(14) . . . . ?
B3C C1C B5C B4C 37.99(12) . . . . ?
B3C C1C B5C B6C -101.93(13) . . . . ?
B3C C1C B5C B9C -0.82(16) . . . . ?
B3C C1C B5C B10C -63.26(15) . . . . ?
B3C C1C B6C C2C -30.34(12) . . . . ?
B3C C1C B6C B5C 105.95(14) . . . . ?
B3C C1C B6C B10C 66.86(15) . . . . ?
B3C C1C B6C B11C 4.25(16) . . . . ?
B3C C2C B6C C1C 32.32(13) . . . . ?
B3C C2C B6C B5C -4.86(18) . . . . ?
B3C C2C B6C B10C -67.23(16) . . . . ?
B3C C2C B6C B11C -107.50(15) . . . . ?
B3C C2C B7C B8C 39.88(12) . . . . ?
B3C C2C B7C B11C 143.23(13) . . . . ?
B3C C2C B7C B12C 102.91(13) . . . . ?
B3C C2C B11C B6C 106.78(14) . . . . ?
B3C C2C B11C B7C -36.44(13) . . . . ?
B3C C2C B11C B10C 66.92(17) . . . . ?
B3C C2C B11C B12C 3.85(18) . . . . ?
B3C B4C B5C C1C -35.24(12) . . . . ?
B3C B4C B5C B6C 0.72(18) . . . . ?
B3C B4C B5C B9C 100.34(14) . . . . ?
B3C B4C B5C B10C 63.03(16) . . . . ?
B3C B4C B8C B7C -37.84(12) . . . . ?
B3C B4C B8C B9C -137.13(13) . . . . ?
B3C B4C B8C B12C -100.71(14) . . . . ?
B3C B4C B9C B5C -100.75(13) . . . . ?
B3C B4C B9C B8C 37.92(12) . . . . ?
B3C B4C B9C B10C -63.37(17) . . . . ?
B3C B4C B9C B12C 0.89(17) . . . . ?
B3C B7C B8C B4C 37.91(13) . . . . ?
B3C B7C B8C B9C 100.99(15) . . . . ?
B3C B7C B8C B12C 138.10(14) . . . . ?
B3C B7C B11C C2C 32.30(11) . . . . ?
B3C B7C B11C B6C -0.39(17) . . . . ?
B3C B7C B11C B10C -63.18(16) . . . . ?
B3C B7C B11C B12C -101.48(14) . . . . ?
B3C B7C B12C B8C -37.37(13) . . . . ?
B3C B7C B12C B9C 0.07(17) . . . . ?
B3C B7C B12C B10C 62.88(16) . . . . ?
B3C B7C B12C B11C 100.22(15) . . . . ?
B3C B8C B9C B4C -38.44(12) . . . . ?
B3C B8C B9C B5C -1.40(17) . . . . ?
B3C B8C B9C B10C 62.04(16) . . . . ?
B3C B8C B9C B12C 100.62(14) . . . . ?
B3C B8C B12C B7C 37.56(13) . . . . ?
B3C B8C B12C B9C -100.44(15) . . . . ?
B3C B8C B12C B10C -62.63(16) . . . . ?
B3C B8C B12C B11C -0.04(18) . . . . ?
C3C C4C C5C C6C -8.81(17) . . . . ?
B4C C1C N1C O2C -119.79(15) . . . . ?
B4C C1C N1C C6C 3.8(2) . . . . ?
B4C C1C C2C B3C -40.65(12) . . . . ?
B4C C1C C2C B6C 105.98(13) . . . . ?
B4C C1C C2C B7C -2.13(16) . . . . ?
B4C C1C C2C B11C 67.02(15) . . . . ?
B4C C1C B3C C2C 135.64(13) . . . . ?
B4C C1C B3C B7C 100.82(14) . . . . ?
B4C C1C B3C B8C 38.03(12) . . . . ?
B4C C1C B5C B6C -139.92(14) . . . . ?
B4C C1C B5C B9C -38.81(12) . . . . ?
B4C C1C B5C B10C -101.25(14) . . . . ?
B4C C1C B6C C2C -98.06(13) . . . . ?
B4C C1C B6C B5C 38.23(13) . . . . ?
B4C C1C B6C B10C -0.86(17) . . . . ?
B4C C1C B6C B11C -63.47(15) . . . . ?
B4C B3C B7C C2C 96.42(13) . . . . ?
B4C B3C B7C B8C -37.45(12) . . . . ?
B4C B3C B7C B11C 64.16(15) . . . . ?
B4C B3C B7C B12C 0.48(17) . . . . ?
B4C B3C B8C B7C 138.03(14) . . . . ?
B4C B3C B8C B9C 38.08(12) . . . . ?
B4C B3C B8C B12C 100.92(14) . . . . ?
B4C B5C B6C C1C -35.29(12) . . . . ?
B4C B5C B6C C2C 2.28(17) . . . . ?
B4C B5C B6C B10C 100.22(15) . . . . ?
B4C B5C B6C B11C 62.56(16) . . . . ?
B4C B5C B9C B8C -36.94(12) . . . . ?
B4C B5C B9C B10C -138.11(13) . . . . ?
B4C B5C B9C B12C -101.14(14) . . . . ?
B4C B5C B10C B6C -100.71(13) . . . . ?
B4C B5C B10C B9C 37.24(12) . . . . ?
B4C B5C B10C B11C -62.54(16) . . . . ?
B4C B5C B10C B12C 0.79(16) . . . . ?
B4C B8C B9C B5C 37.03(12) . . . . ?
B4C B8C B9C B10C 100.48(14) . . . . ?
B4C B8C B9C B12C 139.05(13) . . . . ?
B4C B8C B12C B7C 101.50(14) . . . . ?
B4C B8C B12C B9C -36.50(12) . . . . ?
B4C B8C B12C B10C 1.31(16) . . . . ?
B4C B8C B12C B11C 63.89(16) . . . . ?
B4C B9C B10C B5C -37.45(13) . . . . ?
B4C B9C B10C B6C 0.58(18) . . . . ?
B4C B9C B10C B11C 64.80(17) . . . . ?
B4C B9C B10C B12C 101.83(14) . . . . ?
B4C B9C B12C B7C -0.60(18) . . . . ?
B4C B9C B12C B8C 36.75(13) . . . . ?
B4C B9C B12C B10C -100.51(14) . . . . ?
B4C B9C B12C B11C -63.58(16) . . . . ?
C4C C3C C8C C7C -58.62(18) . . . . ?
C4C C3C C10C C11C -54.44(18) . . . . ?
C4C C3C C10C C12C -179.80(14) . . . . ?
C4C C5C C6C N1C 67.45(15) . . . . ?
C4C C5C C6C C7C -47.22(17) . . . . ?
C4C C5C C6C C9C -172.49(13) . . . . ?
B5C C1C N1C O2C -36.64(17) . . . . ?
B5C C1C N1C C6C 86.92(18) . . . . ?
B5C C1C C2C B3C -106.83(13) . . . . ?
B5C C1C C2C B6C 39.80(12) . . . . ?
B5C C1C C2C B7C -68.30(15) . . . . ?
B5C C1C C2C B11C 0.84(17) . . . . ?
B5C C1C B3C C2C 97.57(13) . . . . ?
B5C C1C B3C B4C -38.07(12) . . . . ?
B5C C1C B3C B7C 62.76(15) . . . . ?
B5C C1C B3C B8C -0.03(16) . . . . ?
B5C C1C B4C B3C 140.32(13) . . . . ?
B5C C1C B4C B8C 102.31(14) . . . . ?
B5C C1C B4C B9C 39.15(12) . . . . ?
B5C C1C B6C C2C -136.29(13) . . . . ?
B5C C1C B6C B10C -39.09(12) . . . . ?
B5C C1C B6C B11C -101.70(14) . . . . ?
B5C B4C B8C B3C 99.88(13) . . . . ?
B5C B4C B8C B7C 62.03(16) . . . . ?
B5C B4C B8C B9C -37.25(12) . . . . ?
B5C B4C B8C B12C -0.83(16) . . . . ?
B5C B4C B9C B8C 138.67(13) . . . . ?
B5C B4C B9C B10C 37.39(12) . . . . ?
B5C B4C B9C B12C 101.64(14) . . . . ?
B5C B6C B10C B9C -37.83(13) . . . . ?
B5C B6C B10C B11C -137.93(14) . . . . ?
B5C B6C B10C B12C -101.22(14) . . . . ?
B5C B6C B11C C2C -95.84(13) . . . . ?
B5C B6C B11C B7C -63.11(16) . . . . ?
B5C B6C B11C B10C 37.76(12) . . . . ?
B5C B6C B11C B12C 0.55(17) . . . . ?
B5C B9C B10C B6C 38.04(13) . . . . ?
B5C B9C B10C B11C 102.25(14) . . . . ?
B5C B9C B10C B12C 139.28(13) . . . . ?
B5C B9C B12C B7C 63.25(16) . . . . ?
B5C B9C B12C B8C 100.60(14) . . . . ?
B5C B9C B12C B10C -36.65(12) . . . . ?
B5C B9C B12C B11C 0.27(17) . . . . ?
B5C B10C B11C C2C 1.50(17) . . . . ?
B5C B10C B11C B6C -38.15(13) . . . . ?
B5C B10C B11C B7C 62.91(17) . . . . ?
B5C B10C B11C B12C 100.82(15) . . . . ?
B5C B10C B12C B7C -64.14(15) . . . . ?
B5C B10C B12C B8C -1.30(16) . . . . ?
B5C B10C B12C B9C 36.66(12) . . . . ?
B5C B10C B12C B11C -101.61(14) . . . . ?
C5C C6C C7C C8C 56.09(18) . . . . ?
B6C C1C N1C O2C 35.44(15) . . . . ?
B6C C1C N1C C6C 159.00(12) . . . . ?
B6C C1C C2C B3C -146.63(13) . . . . ?
B6C C1C C2C B7C -108.10(14) . . . . ?
B6C C1C C2C B11C -38.96(13) . . . . ?
B6C C1C B3C C2C 30.29(12) . . . . ?
B6C C1C B3C B4C -105.34(13) . . . . ?
B6C C1C B3C B7C -4.52(16) . . . . ?
B6C C1C B3C B8C -67.31(14) . . . . ?
B6C C1C B4C B3C 102.39(14) . . . . ?
B6C C1C B4C B5C -37.94(13) . . . . ?
B6C C1C B4C B8C 64.37(16) . . . . ?
B6C C1C B4C B9C 1.21(17) . . . . ?
B6C C1C B5C B4C 139.92(14) . . . . ?
B6C C1C B5C B9C 101.11(14) . . . . ?
B6C C1C B5C B10C 38.67(12) . . . . ?
B6C C2C B3C C1C -32.53(13) . . . . ?
B6C C2C B3C B4C 5.31(18) . . . . ?
B6C C2C B3C B7C 107.54(15) . . . . ?
B6C C2C B3C B8C 67.42(16) . . . . ?
B6C C2C B7C B3C -106.72(14) . . . . ?
B6C C2C B7C B8C -66.84(16) . . . . ?
B6C C2C B7C B11C 36.51(13) . . . . ?
B6C C2C B7C B12C -3.82(17) . . . . ?
B6C C2C B11C B7C -143.22(13) . . . . ?
B6C C2C B11C B10C -39.87(12) . . . . ?
B6C C2C B11C B12C -102.94(14) . . . . ?
B6C B5C B9C B4C 101.20(13) . . . . ?
B6C B5C B9C B8C 64.26(16) . . . . ?
B6C B5C B9C B10C -36.91(12) . . . . ?
B6C B5C B9C B12C 0.06(17) . . . . ?
B6C B5C B10C B9C 137.95(14) . . . . ?
B6C B5C B10C B11C 38.17(13) . . . . ?
B6C B5C B10C B12C 101.50(14) . . . . ?
B6C B10C B11C C2C 39.65(12) . . . . ?
B6C B10C B11C B7C 101.06(14) . . . . ?
B6C B10C B11C B12C 138.97(14) . . . . ?
B6C B10C B12C B7C 0.28(17) . . . . ?
B6C B10C B12C B8C 63.12(15) . . . . ?
B6C B10C B12C B9C 101.08(14) . . . . ?
B6C B10C B12C B11C -37.19(12) . . . . ?
B6C B11C B12C B7C -101.23(14) . . . . ?
B6C B11C B12C B8C -63.63(16) . . . . ?
B6C B11C B12C B9C -0.51(17) . . . . ?
B6C B11C B12C B10C 36.48(13) . . . . ?
C6C N1C O2C C3C -5.28(14) . . . . ?
C6C C7C C8C C3C -2.1(2) . . . . ?
B7C C2C B3C C1C -140.08(13) . . . . ?
B7C C2C B3C B4C -102.24(14) . . . . ?
B7C C2C B3C B8C -40.13(12) . . . . ?
B7C C2C B6C C1C 103.51(13) . . . . ?
B7C C2C B6C B5C 66.33(16) . . . . ?
B7C C2C B6C B10C 3.97(17) . . . . ?
B7C C2C B6C B11C -36.30(13) . . . . ?
B7C C2C B11C B6C 143.22(13) . . . . ?
B7C C2C B11C B10C 103.35(14) . . . . ?
B7C C2C B11C B12C 40.28(12) . . . . ?
B7C B3C B4C C1C -99.26(13) . . . . ?
B7C B3C B4C B5C -64.31(16) . . . . ?
B7C B3C B4C B8C 37.47(12) . . . . ?
B7C B3C B4C B9C -0.84(17) . . . . ?
B7C B3C B8C B4C -138.03(14) . . . . ?
B7C B3C B8C B9C -99.95(14) . . . . ?
B7C B3C B8C B12C -37.11(13) . . . . ?
B7C B8C B9C B4C -102.02(14) . . . . ?
B7C B8C B9C B5C -64.99(16) . . . . ?
B7C B8C B9C B10C -1.54(18) . . . . ?
B7C B8C B9C B12C 37.03(13) . . . . ?
B7C B8C B12C B9C -138.00(14) . . . . ?
B7C B8C B12C B10C -100.19(14) . . . . ?
B7C B8C B12C B11C -37.60(13) . . . . ?
B7C B11C B12C B8C 37.60(13) . . . . ?
B7C B11C B12C B9C 100.72(14) . . . . ?
B7C B11C B12C B10C 137.71(14) . . . . ?
B8C B3C B4C C1C -136.73(13) . . . . ?
B8C B3C B4C B5C -101.79(14) . . . . ?
B8C B3C B4C B9C -38.32(12) . . . . ?
B8C B3C B7C C2C 133.86(14) . . . . ?
B8C B3C B7C B11C 101.60(14) . . . . ?
B8C B3C B7C B12C 37.93(13) . . . . ?
B8C B4C B5C C1C -98.24(13) . . . . ?
B8C B4C B5C B6C -62.29(16) . . . . ?
B8C B4C B5C B9C 37.34(12) . . . . ?
B8C B4C B5C B10C 0.03(16) . . . . ?
B8C B4C B9C B5C -138.67(13) . . . . ?
B8C B4C B9C B10C -101.28(14) . . . . ?
B8C B4C B9C B12C -37.02(13) . . . . ?
B8C B7C B11C C2C 95.36(14) . . . . ?
B8C B7C B11C B6C 62.67(16) . . . . ?
B8C B7C B11C B10C -0.12(18) . . . . ?
B8C B7C B11C B12C -38.42(13) . . . . ?
B8C B7C B12C B9C 37.44(13) . . . . ?
B8C B7C B12C B10C 100.25(14) . . . . ?
B8C B7C B12C B11C 137.59(14) . . . . ?
B8C B9C B10C B5C -100.78(14) . . . . ?
B8C B9C B10C B6C -62.74(17) . . . . ?
B8C B9C B10C B11C 1.47(18) . . . . ?
B8C B9C B10C B12C 38.50(13) . . . . ?
B8C B9C B12C B7C -37.35(13) . . . . ?
B8C B9C B12C B10C -137.25(14) . . . . ?
B8C B9C B12C B11C -100.32(14) . . . . ?
B9C B4C B5C C1C -135.58(13) . . . . ?
B9C B4C B5C B6C -99.62(14) . . . . ?
B9C B4C B5C B10C -37.31(12) . . . . ?
B9C B4C B8C B3C 137.13(13) . . . . ?
B9C B4C B8C B7C 99.28(14) . . . . ?
B9C B4C B8C B12C 36.42(12) . . . . ?
B9C B5C B6C C1C -98.22(14) . . . . ?
B9C B5C B6C C2C -60.65(15) . . . . ?
B9C B5C B6C B10C 37.29(13) . . . . ?
B9C B5C B6C B11C -0.37(17) . . . . ?
B9C B5C B10C B6C -137.95(14) . . . . ?
B9C B5C B10C B11C -99.78(15) . . . . ?
B9C B5C B10C B12C -36.45(12) . . . . ?
B9C B8C B12C B7C 138.00(14) . . . . ?
B9C B8C B12C B10C 37.81(12) . . . . ?
B9C B8C B12C B11C 100.40(15) . . . . ?
B9C B10C B11C C2C -62.24(16) . . . . ?
B9C B10C B11C B6C -101.90(15) . . . . ?
B9C B10C B11C B7C -0.83(18) . . . . ?
B9C B10C B11C B12C 37.07(13) . . . . ?
B9C B10C B12C B7C -100.80(14) . . . . ?
B9C B10C B12C B8C -37.96(12) . . . . ?
B9C B10C B12C B11C -138.26(14) . . . . ?
B10C B5C B6C C1C -135.52(14) . . . . ?
B10C B5C B6C C2C -97.94(14) . . . . ?
B10C B5C B6C B11C -37.67(13) . . . . ?
B10C B5C B9C B4C 138.11(13) . . . . ?
B10C B5C B9C B8C 101.17(14) . . . . ?
B10C B5C B9C B12C 36.97(13) . . . . ?
B10C B6C B11C C2C -133.60(13) . . . . ?
B10C B6C B11C B7C -100.87(14) . . . . ?
B10C B6C B11C B12C -37.21(13) . . . . ?
B10C B9C B12C B7C 99.90(14) . . . . ?
B10C B9C B12C B8C 137.25(14) . . . . ?
B10C B9C B12C B11C 36.93(12) . . . . ?
B10C B11C B12C B7C -137.71(14) . . . . ?
B10C B11C B12C B8C -100.11(14) . . . . ?
B10C B11C B12C B9C -36.99(13) . . . . ?
B11C C2C B3C C1C -103.81(14) . . . . ?
B11C C2C B3C B4C -65.97(17) . . . . ?
B11C C2C B3C B7C 36.26(13) . . . . ?
B11C C2C B3C B8C -3.86(17) . . . . ?
B11C C2C B6C C1C 139.81(13) . . . . ?
B11C C2C B6C B5C 102.63(14) . . . . ?
B11C C2C B6C B10C 40.27(12) . . . . ?
B11C C2C B7C B3C -143.23(13) . . . . ?
B11C C2C B7C B8C -103.35(14) . . . . ?
B11C C2C B7C B12C -40.32(12) . . . . ?
B11C B6C B10C B5C 137.93(14) . . . . ?
B11C B6C B10C B9C 100.11(15) . . . . ?
B11C B6C B10C B12C 36.72(12) . . . . ?
B11C B7C B8C B3C -99.97(15) . . . . ?
B11C B7C B8C B4C -62.06(17) . . . . ?
B11C B7C B8C B9C 1.03(18) . . . . ?
B11C B7C B8C B12C 38.14(13) . . . . ?
B11C B7C B12C B8C -137.59(14) . . . . ?
B11C B7C B12C B9C -100.15(15) . . . . ?
B11C B7C B12C B10C -37.35(12) . . . . ?
B11C B10C B12C B7C 37.47(12) . . . . ?
B11C B10C B12C B8C 100.31(14) . . . . ?
B11C B10C B12C B9C 138.26(14) . . . . ?
B12C B7C B8C B3C -138.10(14) . . . . ?
B12C B7C B8C B4C -100.19(15) . . . . ?
B12C B7C B8C B9C -37.11(13) . . . . ?
B12C B7C B11C C2C 133.78(13) . . . . ?
B12C B7C B11C B6C 101.09(14) . . . . ?
B12C B7C B11C B10C 38.30(13) . . . . ?
B12C B8C B9C B4C -139.05(13) . . . . ?
B12C B8C B9C B5C -102.02(14) . . . . ?
B12C B8C B9C B10C -38.58(13) . . . . ?
B12C B9C B10C B5C -139.28(13) . . . . ?
B12C B9C B10C B6C -101.25(14) . . . . ?
B12C B9C B10C B11C -37.03(13) . . . . ?
B12C B10C B11C C2C -99.32(14) . . . . ?
B12C B10C B11C B6C -138.97(14) . . . . ?
B12C B10C B11C B7C -37.91(13) . . . . ?
C8C C3C C4C C5C 61.44(16) . . . . ?
C8C C3C C10C C11C 73.00(18) . . . . ?
C8C C3C C10C C12C -52.4(2) . . . . ?
C9C C6C C7C C8C 178.27(14) . . . . ?
C10C C3C C4C C5C -166.25(13) . . . . ?
C10C C3C C8C C7C 170.86(15) . . . . ?
O2B N1B C1B C2B 98.66(13) . . . . ?
O2B N1B C1B B5B -39.09(18) . . . . ?
O2B N1B C1B B6B 33.51(15) . . . . ?
O2B N1B C1B B3B 164.11(11) . . . . ?
O2B N1B C1B B4B -122.05(15) . . . . ?
O2B N1B C6B C5B -56.12(14) . . . . ?
O2B N1B C6B C7B 58.53(15) . . . . ?
O2B N1B C6B C9B -173.38(12) . . . . ?
O2B C3B C4B C5B -52.56(15) . . . . ?
O2D N1D C1D C2D 100.96(13) . . . . ?
O2D N1D C1D B4D -119.60(15) . . . . ?
O2D N1D C1D B5D -36.96(18) . . . . ?
O2D N1D C1D B6D 35.54(15) . . . . ?
O2D N1D C1D B3D 166.48(11) . . . . ?
O2D N1D C6D C5D -57.62(14) . . . . ?
O2D N1D C6D C9D -174.78(12) . . . . ?
O2D N1D C6D C7D 57.85(15) . . . . ?
O2D C3D C4D C5D -53.85(15) . . . . ?
O2A N1A C6A C5A -56.36(14) . . . . ?
O2A N1A C6A C7A 58.50(15) . . . . ?
O2A N1A C6A C9A -172.83(12) . . . . ?
O2A N1A C1A C2A 97.45(13) . . . . ?
O2A N1A C1A B6A 32.00(15) . . . . ?
O2A N1A C1A B5A -41.10(18) . . . . ?
O2A N1A C1A B3A 162.50(11) . . . . ?
O2A N1A C1A B4A -124.71(15) . . . . ?
O2A C3A C10A C12A 62.81(16) . . . . ?
O2A C3A C10A C11A -171.63(13) . . . . ?
O2A C3A C8A C7A 55.19(18) . . . . ?
O2A C3A C4A C5A -54.17(15) . . . . ?
N1D O2D C3D C8D -48.04(15) . . . . ?
N1D O2D C3D C10D -172.72(10) . . . . ?
N1D O2D C3D C4D 67.31(14) . . . . ?
N1D C1D B4D B5D 117.92(17) . . . . ?
N1D C1D B4D B3D -101.90(17) . . . . ?
N1D C1D B4D B8D -140.04(16) . . . . ?
N1D C1D B4D B9D 157.04(15) . . . . ?
N1D C1D B5D B4D -118.84(17) . . . . ?
N1D C1D B5D B6D 100.63(17) . . . . ?
N1D C1D B5D B9D -157.74(14) . . . . ?
N1D C1D B5D B10D 139.64(15) . . . . ?
N1D C1D B6D C2D 102.77(14) . . . . ?
N1D C1D B6D B5D -121.09(15) . . . . ?
N1D C1D B6D B10D -160.17(13) . . . . ?
N1D C1D B6D B11D 137.44(13) . . . . ?
N1D C1D B3D C2D -102.29(13) . . . . ?
N1D C1D B3D B4D 121.66(14) . . . . ?
N1D C1D B3D B7D -137.16(13) . . . . ?
N1D C1D B3D B8D 159.96(13) . . . . ?
N1D C6D C7D C8D -54.26(19) . . . . ?
N1A O2A C3A C10A -172.34(10) . . . . ?
N1A O2A C3A C8A -47.08(15) . . . . ?
N1A O2A C3A C4A 67.87(14) . . . . ?
N1A C6A C5A C4A 67.35(16) . . . . ?
N1A C6A C7A C8A -54.47(18) . . . . ?
N1A C1A C2A B7A 144.30(13) . . . . ?
N1A C1A C2A B6A -107.48(14) . . . . ?
N1A C1A C2A B3A 105.63(14) . . . . ?
N1A C1A C2A B11A -146.68(13) . . . . ?
N1A C1A B6A C2A 101.72(14) . . . . ?
N1A C1A B6A B5A -121.95(15) . . . . ?
N1A C1A B6A B10A -161.14(13) . . . . ?
N1A C1A B6A B11A 136.42(13) . . . . ?
N1A C1A B5A B9A -157.13(15) . . . . ?
N1A C1A B5A B6A 101.35(17) . . . . ?
N1A C1A B5A B10A 140.50(16) . . . . ?
N1A C1A B5A B4A -118.18(18) . . . . ?
N1A C1A B3A C2A -102.49(13) . . . . ?
N1A C1A B3A B7A -137.48(13) . . . . ?
N1A C1A B3A B8A 159.80(13) . . . . ?
N1A C1A B3A B4A 121.44(15) . . . . ?
N1A C1A B4A B9A 158.72(15) . . . . ?
N1A C1A B4A B5A 119.67(18) . . . . ?
N1A C1A B4A B8A -138.22(16) . . . . ?
N1A C1A B4A B3A -100.24(17) . . . . ?
N1B O2B C3B C8B -45.82(16) . . . . ?
N1B O2B C3B C10B -171.36(11) . . . . ?
N1B O2B C3B C4B 67.87(14) . . . . ?
N1B C1B C2B B7B 145.73(13) . . . . ?
N1B C1B C2B B6B -106.22(14) . . . . ?
N1B C1B C2B B3B 107.16(14) . . . . ?
N1B C1B C2B B11B -145.09(13) . . . . ?
N1B C1B B5B B6B 100.67(17) . . . . ?
N1B C1B B5B B4B -119.25(17) . . . . ?
N1B C1B B5B B9B -157.99(14) . . . . ?
N1B C1B B5B B10B 139.19(15) . . . . ?
N1B C1B B6B C2B 102.40(14) . . . . ?
N1B C1B B6B B5B -121.26(15) . . . . ?
N1B C1B B6B B10B -160.07(13) . . . . ?
N1B C1B B6B B11B 137.23(13) . . . . ?
N1B C1B B3B C2B -102.05(14) . . . . ?
N1B C1B B3B B7B -136.99(14) . . . . ?
N1B C1B B3B B8B 160.33(13) . . . . ?
N1B C1B B3B B4B 122.04(15) . . . . ?
N1B C1B B4B B5B 118.06(18) . . . . ?
N1B C1B B4B B8B -139.87(16) . . . . ?
N1B C1B B4B B3B -101.64(17) . . . . ?
N1B C1B B4B B9B 156.97(15) . . . . ?
C5D C6D C7D C8D 56.46(18) . . . . ?
C3A O2A N1A C6A -8.24(14) . . . . ?
C3A O2A N1A C1A 122.13(12) . . . . ?
C3A C8A C7A C6A -3.6(2) . . . . ?
C3A C4A C5A C6A -9.48(17) . . . . ?
C8B C3B C4B C5B 62.67(17) . . . . ?
C8B C7B C6B N1B -53.97(19) . . . . ?
C8B C7B C6B C5B 56.52(19) . . . . ?
C8B C7B C6B C9B 179.19(15) . . . . ?
C6A N1A C1A C2A -139.63(13) . . . . ?
C6A N1A C1A B6A 154.91(13) . . . . ?
C6A N1A C1A B5A 81.8(2) . . . . ?
C6A N1A C1A B3A -74.59(17) . . . . ?
C6A N1A C1A B4A -1.8(2) . . . . ?
C10A C3A C8A C7A 172.38(14) . . . . ?
C10A C3A C4A C5A -166.94(13) . . . . ?
C8D C3D C4D C5D 61.60(16) . . . . ?
C11D C10D C3D O2D -178.72(12) . . . . ?
C11D C10D C3D C8D 61.74(18) . . . . ?
C11D C10D C3D C4D -65.38(16) . . . . ?
C10D C3D C4D C5D -167.26(13) . . . . ?
C8A C3A C10A C12A -56.82(19) . . . . ?
C8A C3A C10A C11A 68.73(18) . . . . ?
C8A C3A C4A C5A 61.15(16) . . . . ?
C1B N1B C6B C5B -178.04(13) . . . . ?
C1B N1B C6B C7B -63.39(18) . . . . ?
C1B N1B C6B C9B 64.70(18) . . . . ?
C1B C2B B7B B8B 2.05(17) . . . . ?
C1B C2B B7B B12B 65.04(16) . . . . ?
C1B C2B B7B B3B -38.06(13) . . . . ?
C1B C2B B7B B11B 105.35(14) . . . . ?
C1B C2B B6B B5B -37.17(11) . . . . ?
C1B C2B B6B B10B -99.41(13) . . . . ?
C1B C2B B6B B11B -139.76(13) . . . . ?
C1B C2B B3B B7B 139.91(13) . . . . ?
C1B C2B B3B B8B 99.61(14) . . . . ?
C1B C2B B3B B4B 37.53(12) . . . . ?
C1B C2B B11B B7B -104.85(14) . . . . ?
C1B C2B B11B B6B 38.48(12) . . . . ?
C1B C2B B11B B12B -64.41(16) . . . . ?
C1B C2B B11B B10B -1.42(17) . . . . ?
C1B B5B B6B C2B 37.41(12) . . . . ?
C1B B5B B6B B10B 135.78(14) . . . . ?
C1B B5B B6B B11B 98.08(14) . . . . ?
C1B B5B B4B B8B -98.24(14) . . . . ?
C1B B5B B4B B3B -35.37(13) . . . . ?
C1B B5B B4B B9B -135.58(14) . . . . ?
C1B B5B B9B B8B 1.08(17) . . . . ?
C1B B5B B9B B12B -63.18(16) . . . . ?
C1B B5B B9B B4B 38.17(12) . . . . ?
C1B B5B B9B B10B -100.08(14) . . . . ?
C1B B5B B10B B6B -38.95(12) . . . . ?
C1B B5B B10B B12B 62.28(16) . . . . ?
C1B B5B B10B B9B 98.57(14) . . . . ?
C1B B5B B10B B11B -0.83(17) . . . . ?
C1B B6B B10B B5B 37.82(12) . . . . ?
C1B B6B B10B B12B -63.15(16) . . . . ?
C1B B6B B10B B9B -0.09(17) . . . . ?
C1B B6B B10B B11B -100.07(14) . . . . ?
C1B B6B B11B C2B -34.99(11) . . . . ?
C1B B6B B11B B7B -2.50(17) . . . . ?
C1B B6B B11B B12B 61.10(16) . . . . ?
C1B B6B B11B B10B 98.63(13) . . . . ?
C1B B3B B4B B5B 35.00(12) . . . . ?
C1B B3B B4B B8B 136.38(14) . . . . ?
C1B B3B B4B B9B 98.12(14) . . . . ?
C1B B4B B9B B5B -38.39(12) . . . . ?
C1B B4B B9B B8B 100.22(14) . . . . ?
C1B B4B B9B B12B 63.18(17) . . . . ?
C1B B4B B9B B10B -1.04(18) . . . . ?
C2D C1D B4D B5D -101.27(13) . . . . ?
C2D C1D B4D B3D 38.91(12) . . . . ?
C2D C1D B4D B8D 0.77(16) . . . . ?
C2D C1D B4D B9D -62.14(15) . . . . ?
C2D C1D B5D B4D 101.71(13) . . . . ?
C2D C1D B5D B6D -38.82(12) . . . . ?
C2D C1D B5D B9D 62.82(15) . . . . ?
C2D C1D B5D B10D 0.20(17) . . . . ?
C2D C1D B6D B5D 136.14(13) . . . . ?
C2D C1D B6D B10D 97.06(14) . . . . ?
C2D C1D B6D B11D 34.68(11) . . . . ?
C2D C1D B3D B4D -136.05(13) . . . . ?
C2D C1D B3D B7D -34.87(11) . . . . ?
C2D C1D B3D B8D -97.75(14) . . . . ?
C2D B6D B10D B5D 98.64(13) . . . . ?
C2D B6D B10D B9D 60.84(16) . . . . ?
C2D B6D B10D B11D -39.13(12) . . . . ?
C2D B6D B10D B12D -2.11(16) . . . . ?
C2D B6D B11D B7D 32.53(11) . . . . ?
C2D B6D B11D B10D 133.49(14) . . . . ?
C2D B6D B11D B12D 96.07(14) . . . . ?
C2D B3D B7D B8D -133.77(14) . . . . ?
C2D B3D B7D B11D -32.40(12) . . . . ?
C2D B3D B7D B12D -95.90(14) . . . . ?
C2D B3D B8D B4D -98.74(14) . . . . ?
C2D B3D B8D B7D 39.40(12) . . . . ?
C2D B3D B8D B9D -60.75(16) . . . . ?
C2D B3D B8D B12D 2.03(17) . . . . ?
C2D B7D B8D B4D -1.63(18) . . . . ?
C2D B7D B8D B3D -39.39(12) . . . . ?
C2D B7D B8D B9D 61.51(16) . . . . ?
C2D B7D B8D B12D 98.59(14) . . . . ?
C2D B7D B11D B6D -32.72(11) . . . . ?
C2D B7D B11D B10D -95.99(14) . . . . ?
C2D B7D B11D B12D -133.74(14) . . . . ?
C2D B7D B12D B8D -98.40(14) . . . . ?
C2D B7D B12D B9D -61.00(16) . . . . ?
C2D B7D B12D B10D 2.21(17) . . . . ?
C2D B7D B12D B11D 39.26(12) . . . . ?
C2D B11D B12D B7D -39.54(12) . . . . ?
C2D B11D B12D B8D -1.99(17) . . . . ?
C2D B11D B12D B9D 61.19(16) . . . . ?
C2D B11D B12D B10D 98.70(14) . . . . ?
C10B C3B C4B C5B -165.85(13) . . . . ?
C3D O2D N1D C1D 123.39(12) . . . . ?
C3D O2D N1D C6D -7.14(14) . . . . ?
C3D C8D C7D C6D -3.8(2) . . . . ?
C1D N1D C6D C5D -179.37(13) . . . . ?
C1D N1D C6D C9D 63.47(18) . . . . ?
C1D N1D C6D C7D -63.90(18) . . . . ?
C1D C2D B6D B5D -37.29(11) . . . . ?
C1D C2D B6D B10D -99.35(13) . . . . ?
C1D C2D B6D B11D -139.60(13) . . . . ?
C1D C2D B3D B4D 37.41(11) . . . . ?
C1D C2D B3D B7D 140.03(13) . . . . ?
C1D C2D B3D B8D 99.75(13) . . . . ?
C1D C2D B7D B3D -37.75(12) . . . . ?
C1D C2D B7D B8D 2.20(17) . . . . ?
C1D C2D B7D B11D 105.25(14) . . . . ?
C1D C2D B7D B12D 64.98(16) . . . . ?
C1D C2D B11D B6D 38.47(13) . . . . ?
C1D C2D B11D B7D -104.86(14) . . . . ?
C1D C2D B11D B10D -1.82(18) . . . . ?
C1D C2D B11D B12D -64.67(16) . . . . ?
C1D B4D B5D B6D 35.37(12) . . . . ?
C1D B4D B5D B9D 135.41(14) . . . . ?
C1D B4D B5D B10D 98.10(13) . . . . ?
C1D B4D B3D C2D -38.01(12) . . . . ?
C1D B4D B3D B7D -98.97(14) . . . . ?
C1D B4D B3D B8D -136.50(14) . . . . ?
C1D B4D B8D B3D 38.25(12) . . . . ?
C1D B4D B8D B7D 0.55(18) . . . . ?
C1D B4D B8D B9D -99.01(14) . . . . ?
C1D B4D B8D B12D -62.58(16) . . . . ?
C1D B4D B9D B5D -38.69(12) . . . . ?
C1D B4D B9D B8D 100.16(14) . . . . ?
C1D B4D B9D B10D -1.33(17) . . . . ?
C1D B4D B9D B12D 63.00(17) . . . . ?
C1D B5D B6D C2D 37.54(11) . . . . ?
C1D B5D B6D B10D 135.34(14) . . . . ?
C1D B5D B6D B11D 97.69(14) . . . . ?
C1D B5D B9D B4D 38.14(12) . . . . ?
C1D B5D B9D B8D 1.17(17) . . . . ?
C1D B5D B9D B10D -100.19(13) . . . . ?
C1D B5D B9D B12D -63.20(16) . . . . ?
C1D B5D B10D B6D -39.35(12) . . . . ?
C1D B5D B10D B9D 98.28(14) . . . . ?
C1D B5D B10D B11D -1.29(18) . . . . ?
C1D B5D B10D B12D 62.04(16) . . . . ?
C1D B6D B10D B5D 38.08(12) . . . . ?
C1D B6D B10D B9D 0.29(17) . . . . ?
C1D B6D B10D B11D -99.69(14) . . . . ?
C1D B6D B10D B12D -62.66(15) . . . . ?
C1D B6D B11D C2D -35.02(11) . . . . ?
C1D B6D B11D B7D -2.50(16) . . . . ?
C1D B6D B11D B10D 98.47(13) . . . . ?
C1D B6D B11D B12D 61.05(15) . . . . ?
C1D B3D B7D C2D 35.22(11) . . . . ?
C1D B3D B7D B8D -98.56(14) . . . . ?
C1D B3D B7D B11D 2.82(16) . . . . ?
C1D B3D B7D B12D -60.68(16) . . . . ?
C1D B3D B8D B4D -37.26(12) . . . . ?
C1D B3D B8D B7D 100.87(14) . . . . ?
C1D B3D B8D B9D 0.73(17) . . . . ?
C1D B3D B8D B12D 63.51(16) . . . . ?
C1A N1A C6A C5A -178.39(13) . . . . ?
C1A N1A C6A C7A -63.53(18) . . . . ?
C1A N1A C6A C9A 65.14(18) . . . . ?
C1A C2A B7A B8A 1.66(17) . . . . ?
C1A C2A B7A B3A -38.00(12) . . . . ?
C1A C2A B7A B11A 105.44(14) . . . . ?
C1A C2A B7A B12A 64.99(16) . . . . ?
C1A C2A B6A B5A -37.15(11) . . . . ?
C1A C2A B6A B10A -99.32(14) . . . . ?
C1A C2A B6A B11A -139.55(13) . . . . ?
C1A C2A B3A B7A 139.82(13) . . . . ?
C1A C2A B3A B8A 99.99(13) . . . . ?
C1A C2A B3A B4A 37.51(11) . . . . ?
C1A C2A B11A B7A -104.64(14) . . . . ?
C1A C2A B11A B6A 38.68(13) . . . . ?
C1A C2A B11A B10A -1.27(18) . . . . ?
C1A C2A B11A B12A -64.34(16) . . . . ?
C1A B6A B5A B9A -97.67(15) . . . . ?
C1A B6A B5A B10A -135.27(14) . . . . ?
C1A B6A B5A B4A -34.72(12) . . . . ?
C1A B6A B10A B9A 0.08(18) . . . . ?
C1A B6A B10A B5A 38.16(12) . . . . ?
C1A B6A B10A B11A -99.56(14) . . . . ?
C1A B6A B10A B12A -62.76(17) . . . . ?
C1A B6A B11A C2A -35.01(11) . . . . ?
C1A B6A B11A B7A -2.43(16) . . . . ?
C1A B6A B11A B10A 98.58(14) . . . . ?
C1A B6A B11A B12A 61.06(16) . . . . ?
C1A B5A B10A B9A 98.04(15) . . . . ?
C1A B5A B10A B6A -39.58(13) . . . . ?
C1A B5A B10A B11A -1.34(19) . . . . ?
C1A B5A B10A B12A 61.56(16) . . . . ?
C1A B5A B4A B9A -135.28(14) . . . . ?
C1A B5A B4A B8A -97.98(14) . . . . ?
C1A B5A B4A B3A -35.36(12) . . . . ?
C1A B3A B4A B9A 97.85(15) . . . . ?
C1A B3A B4A B5A 34.96(12) . . . . ?
C1A B3A B4A B8A 136.56(15) . . . . ?
C2A C1A B6A B5A 136.33(13) . . . . ?
C2A C1A B6A B10A 97.15(14) . . . . ?
C2A C1A B6A B11A 34.70(11) . . . . ?
C2A C1A B5A B9A 62.93(16) . . . . ?
C2A C1A B5A B6A -38.59(12) . . . . ?
C2A C1A B5A B10A 0.56(17) . . . . ?
C2A C1A B5A B4A 101.88(13) . . . . ?
C2A C1A B3A B7A -34.98(11) . . . . ?
C2A C1A B3A B8A -97.71(14) . . . . ?
C2A C1A B3A B4A -136.07(14) . . . . ?
C2A C1A B4A B9A -62.14(16) . . . . ?
C2A C1A B4A B5A -101.19(13) . . . . ?
C2A C1A B4A B8A 0.92(17) . . . . ?
C2A C1A B4A B3A 38.90(12) . . . . ?
C2A B7A B8A B9A 61.86(16) . . . . ?
C2A B7A B8A B3A -39.04(12) . . . . ?
C2A B7A B8A B4A -1.02(18) . . . . ?
C2A B7A B8A B12A 98.76(14) . . . . ?
C2A B7A B3A C1A 35.31(11) . . . . ?
C2A B7A B3A B8A 134.26(14) . . . . ?
C2A B7A B3A B4A 96.47(14) . . . . ?
C2A B7A B11A B6A -32.60(12) . . . . ?
C2A B7A B11A B10A -95.51(14) . . . . ?
C2A B7A B11A B12A -133.60(14) . . . . ?
C2A B7A B12A B9A -60.81(17) . . . . ?
C2A B7A B12A B8A -98.70(14) . . . . ?
C2A B7A B12A B10A 2.23(18) . . . . ?
C2A B7A B12A B11A 39.56(12) . . . . ?
C2A B6A B5A C1A 37.36(11) . . . . ?
C2A B6A B5A B9A -60.32(16) . . . . ?
C2A B6A B5A B10A -97.91(14) . . . . ?
C2A B6A B5A B4A 2.63(17) . . . . ?
C2A B6A B10A B9A 60.57(16) . . . . ?
C2A B6A B10A B5A 98.65(14) . . . . ?
C2A B6A B10A B11A -39.07(12) . . . . ?
C2A B6A B10A B12A -2.27(18) . . . . ?
C2A B6A B11A B7A 32.58(12) . . . . ?
C2A B6A B11A B10A 133.59(14) . . . . ?
C2A B6A B11A B12A 96.07(15) . . . . ?
C2A B3A B4A C1A -37.96(12) . . . . ?
C2A B3A B4A B9A 59.89(16) . . . . ?
C2A B3A B4A B5A -3.01(17) . . . . ?
C2A B3A B4A B8A 98.59(14) . . . . ?
C2A B11A B12A B7A -39.73(12) . . . . ?
C2A B11A B12A B9A 61.13(17) . . . . ?
C2A B11A B12A B8A -2.65(18) . . . . ?
C2A B11A B12A B10A 98.26(14) . . . . ?
C12D C10D C3D O2D 57.00(15) . . . . ?
C12D C10D C3D C8D -62.54(18) . . . . ?
C12D C10D C3D C4D 170.34(13) . . . . ?
C4A C3A C10A C12A 175.80(14) . . . . ?
C4A C3A C10A C11A -58.64(17) . . . . ?
C4A C3A C8A C7A -57.36(18) . . . . ?
C4D C5D C6D N1D 68.36(15) . . . . ?
C4D C5D C6D C9D -171.34(13) . . . . ?
C4D C5D C6D C7D -46.10(17) . . . . ?
C2B C1B B5B B6B -38.55(12) . . . . ?
C2B C1B B5B B4B 101.53(13) . . . . ?
C2B C1B B5B B9B 62.79(15) . . . . ?
C2B C1B B5B B10B -0.03(16) . . . . ?
C2B C1B B6B B5B 136.34(14) . . . . ?
C2B C1B B6B B10B 97.52(14) . . . . ?
C2B C1B B6B B11B 34.83(11) . . . . ?
C2B C1B B3B B7B -34.94(12) . . . . ?
C2B C1B B3B B8B -97.62(14) . . . . ?
C2B C1B B3B B4B -135.91(14) . . . . ?
C2B C1B B4B B5B -101.31(13) . . . . ?
C2B C1B B4B B8B 0.77(17) . . . . ?
C2B C1B B4B B3B 39.00(12) . . . . ?
C2B C1B B4B B9B -62.39(16) . . . . ?
C2B B7B B8B B12B 98.57(14) . . . . ?
C2B B7B B8B B3B -39.48(12) . . . . ?
C2B B7B B8B B4B -1.49(18) . . . . ?
C2B B7B B8B B9B 61.49(16) . . . . ?
C2B B7B B12B B8B -98.45(14) . . . . ?
C2B B7B B12B B9B -61.02(16) . . . . ?
C2B B7B B12B B10B 2.14(17) . . . . ?
C2B B7B B12B B11B 39.54(12) . . . . ?
C2B B7B B3B C1B 35.11(11) . . . . ?
C2B B7B B3B B8B 133.63(14) . . . . ?
C2B B7B B3B B4B 96.14(14) . . . . ?
C2B B7B B11B B6B -32.48(12) . . . . ?
C2B B7B B11B B12B -133.54(14) . . . . ?
C2B B7B B11B B10B -95.34(14) . . . . ?
C2B B6B B10B B5B 98.52(13) . . . . ?
C2B B6B B10B B12B -2.45(17) . . . . ?
C2B B6B B10B B9B 60.61(16) . . . . ?
C2B B6B B10B B11B -39.37(12) . . . . ?
C2B B6B B11B B7B 32.48(12) . . . . ?
C2B B6B B11B B12B 96.09(14) . . . . ?
C2B B6B B11B B10B 133.61(13) . . . . ?
C2B B3B B4B C1B -37.91(12) . . . . ?
C2B B3B B4B B5B -2.91(18) . . . . ?
C2B B3B B4B B8B 98.46(14) . . . . ?
C2B B3B B4B B9B 60.21(16) . . . . ?
C6D N1D C1D C2D -136.33(13) . . . . ?
C6D N1D C1D B4D 3.1(2) . . . . ?
C6D N1D C1D B5D 85.75(19) . . . . ?
C6D N1D C1D B6D 158.25(13) . . . . ?
C6D N1D C1D B3D -70.81(17) . . . . ?
C6D C5D C4D C3D -10.12(17) . . . . ?
C5A C6A C7A C8A 56.52(19) . . . . ?
C7A C6A C5A C4A -46.59(18) . . . . ?
C3B O2B N1B C1B 121.66(12) . . . . ?
C3B O2B N1B C6B -9.01(14) . . . . ?
C3B C8B C7B C6B -3.7(2) . . . . ?
C3B C4B C5B C6B -11.48(18) . . . . ?
C9A C6A C5A C4A -173.31(13) . . . . ?
C9A C6A C7A C8A 178.82(15) . . . . ?
C4B C5B C6B N1B 68.75(16) . . . . ?
C4B C5B C6B C7B -45.35(18) . . . . ?
C4B C5B C6B C9B -171.44(14) . . . . ?
C7B C8B C3B O2B 54.37(19) . . . . ?
C7B C8B C3B C10B 172.10(15) . . . . ?
C7B C8B C3B C4B -57.57(19) . . . . ?
C6B N1B C1B C2B -138.43(13) . . . . ?
C6B N1B C1B B5B 83.81(19) . . . . ?
C6B N1B C1B B6B 156.42(13) . . . . ?
C6B N1B C1B B3B -72.98(17) . . . . ?
C6B N1B C1B B4B 0.9(2) . . . . ?
C12B C10B C3B O2B 61.87(16) . . . . ?
C12B C10B C3B C8B -58.4(2) . . . . ?
C12B C10B C3B C4B 175.14(15) . . . . ?
C11B C10B C3B O2B -173.12(13) . . . . ?
C11B C10B C3B C8B 66.57(19) . . . . ?
C11B C10B C3B C4B -59.85(17) . . . . ?
C9D C6D C7D C8D 178.73(15) . . . . ?
C7D C8D C3D O2D 55.54(17) . . . . ?
C7D C8D C3D C10D 172.92(14) . . . . ?
C7D C8D C3D C4D -57.22(18) . . . . ?
B4D C1D B5D B6D -140.52(14) . . . . ?
B4D C1D B5D B9D -38.89(12) . . . . ?
B4D C1D B5D B10D -101.51(15) . . . . ?
B4D C1D B6D C2D -98.25(14) . . . . ?
B4D C1D B6D B5D 37.89(13) . . . . ?
B4D C1D B6D B10D -1.19(17) . . . . ?
B4D C1D B6D B11D -63.57(15) . . . . ?
B4D C1D B3D C2D 136.05(13) . . . . ?
B4D C1D B3D B7D 101.19(14) . . . . ?
B4D C1D B3D B8D 38.30(12) . . . . ?
B4D B5D B6D C2D 2.96(17) . . . . ?
B4D B5D B6D C1D -34.58(12) . . . . ?
B4D B5D B6D B10D 100.76(15) . . . . ?
B4D B5D B6D B11D 63.11(16) . . . . ?
B4D B5D B9D B8D -36.97(12) . . . . ?
B4D B5D B9D B10D -138.33(13) . . . . ?
B4D B5D B9D B12D -101.34(15) . . . . ?
B4D B5D B10D B6D -100.47(13) . . . . ?
B4D B5D B10D B9D 37.16(12) . . . . ?
B4D B5D B10D B11D -62.41(16) . . . . ?
B4D B5D B10D B12D 0.92(16) . . . . ?
B4D B3D B7D C2D 96.24(14) . . . . ?
B4D B3D B7D B8D -37.53(13) . . . . ?
B4D B3D B7D B11D 63.84(16) . . . . ?
B4D B3D B7D B12D 0.34(18) . . . . ?
B4D B3D B8D B7D 138.13(15) . . . . ?
B4D B3D B8D B9D 37.99(13) . . . . ?
B4D B3D B8D B12D 100.77(15) . . . . ?
B4D B8D B9D B5D 37.09(12) . . . . ?
B4D B8D B9D B10D 100.84(15) . . . . ?
B4D B8D B9D B12D 138.98(14) . . . . ?
B4D B8D B12D B7D 101.49(15) . . . . ?
B4D B8D B12D B9D -36.56(12) . . . . ?
B4D B8D B12D B10D 1.03(17) . . . . ?
B4D B8D B12D B11D 63.81(16) . . . . ?
B4D B9D B10D B5D -37.48(13) . . . . ?
B4D B9D B10D B6D 0.64(18) . . . . ?
B4D B9D B10D B11D 64.35(17) . . . . ?
B4D B9D B10D B12D 101.78(15) . . . . ?
B4D B9D B12D B7D -0.35(19) . . . . ?
B4D B9D B12D B8D 36.92(13) . . . . ?
B4D B9D B12D B10D -100.91(15) . . . . ?
B4D B9D B12D B11D -63.57(17) . . . . ?
B7A C2A B6A C1A 103.35(14) . . . . ?
B7A C2A B6A B5A 66.20(16) . . . . ?
B7A C2A B6A B10A 4.03(18) . . . . ?
B7A C2A B6A B11A -36.19(13) . . . . ?
B7A C2A B3A C1A -139.82(13) . . . . ?
B7A C2A B3A B8A -39.83(12) . . . . ?
B7A C2A B3A B4A -102.31(14) . . . . ?
B7A C2A B11A B6A 143.32(13) . . . . ?
B7A C2A B11A B10A 103.37(14) . . . . ?
B7A C2A B11A B12A 40.30(13) . . . . ?
B7A B8A B3A C1A 100.45(14) . . . . ?
B7A B8A B3A C2A 39.03(12) . . . . ?
B7A B8A B3A B4A 137.83(15) . . . . ?
B7A B8A B4A C1A 0.08(19) . . . . ?
B7A B8A B4A B9A 98.60(16) . . . . ?
B7A B8A B4A B5A 61.59(17) . . . . ?
B7A B8A B4A B3A -37.98(13) . . . . ?
B7A B8A B12A B9A -137.79(15) . . . . ?
B7A B8A B12A B10A -100.27(14) . . . . ?
B7A B8A B12A B11A -37.21(13) . . . . ?
B7A B3A B4A C1A -98.90(14) . . . . ?
B7A B3A B4A B9A -1.05(18) . . . . ?
B7A B3A B4A B5A -63.94(17) . . . . ?
B7A B3A B4A B8A 37.66(13) . . . . ?
B7A B11A B12A B9A 100.86(16) . . . . ?
B7A B11A B12A B8A 37.08(13) . . . . ?
B7A B11A B12A B10A 137.99(15) . . . . ?
B7B C2B B6B C1B 103.57(14) . . . . ?
B7B C2B B6B B5B 66.40(17) . . . . ?
B7B C2B B6B B10B 4.17(18) . . . . ?
B7B C2B B6B B11B -36.19(13) . . . . ?
B7B C2B B3B C1B -139.91(13) . . . . ?
B7B C2B B3B B8B -40.30(13) . . . . ?
B7B C2B B3B B4B -102.38(14) . . . . ?
B7B C2B B11B B6B 143.33(13) . . . . ?
B7B C2B B11B B12B 40.44(13) . . . . ?
B7B C2B B11B B10B 103.43(14) . . . . ?
B7B B8B B12B B9B -138.03(14) . . . . ?
B7B B8B B12B B10B -100.35(14) . . . . ?
B7B B8B B12B B11B -37.46(13) . . . . ?
B7B B8B B3B C1B 100.60(14) . . . . ?
B7B B8B B3B C2B 39.52(12) . . . . ?
B7B B8B B3B B4B 137.98(14) . . . . ?
B7B B8B B4B C1B 0.47(18) . . . . ?
B7B B8B B4B B5B 62.31(17) . . . . ?
B7B B8B B4B B3B -37.86(13) . . . . ?
B7B B8B B4B B9B 99.39(15) . . . . ?
B7B B8B B9B B5B -64.58(17) . . . . ?
B7B B8B B9B B12B 37.12(13) . . . . ?
B7B B8B B9B B4B -101.93(15) . . . . ?
B7B B8B B9B B10B -1.05(18) . . . . ?
B7B B12B B9B B5B 63.86(17) . . . . ?
B7B B12B B9B B8B -37.22(13) . . . . ?
B7B B12B B9B B4B -0.44(18) . . . . ?
B7B B12B B9B B10B 100.48(14) . . . . ?
B7B B12B B10B B5B -64.13(16) . . . . ?
B7B B12B B10B B6B 0.20(18) . . . . ?
B7B B12B B10B B9B -100.54(15) . . . . ?
B7B B12B B10B B11B 37.58(13) . . . . ?
B7B B12B B11B C2B -39.73(13) . . . . ?
B7B B12B B11B B6B -100.98(15) . . . . ?
B7B B12B B11B B10B -137.83(15) . . . . ?
B7B B3B B4B C1B -98.87(14) . . . . ?
B7B B3B B4B B5B -63.87(17) . . . . ?
B7B B3B B4B B8B 37.51(13) . . . . ?
B7B B3B B4B B9B -0.74(17) . . . . ?
B5B C1B C2B B7B -68.23(16) . . . . ?
B5B C1B C2B B6B 39.82(12) . . . . ?
B5B C1B C2B B3B -106.80(14) . . . . ?
B5B C1B C2B B11B 0.96(17) . . . . ?
B5B C1B B6B C2B -136.34(14) . . . . ?
B5B C1B B6B B10B -38.82(12) . . . . ?
B5B C1B B6B B11B -101.51(14) . . . . ?
B5B C1B B3B C2B 97.76(14) . . . . ?
B5B C1B B3B B7B 62.81(16) . . . . ?
B5B C1B B3B B8B 0.14(17) . . . . ?
B5B C1B B3B B4B -38.15(13) . . . . ?
B5B C1B B4B B8B 102.07(15) . . . . ?
B5B C1B B4B B3B 140.30(14) . . . . ?
B5B C1B B4B B9B 38.91(13) . . . . ?
B5B B6B B10B B12B -100.97(15) . . . . ?
B5B B6B B10B B9B -37.91(13) . . . . ?
B5B B6B B10B B11B -137.89(14) . . . . ?
B5B B6B B11B C2B -95.92(14) . . . . ?
B5B B6B B11B B7B -63.44(16) . . . . ?
B5B B6B B11B B12B 0.17(18) . . . . ?
B5B B6B B11B B10B 37.70(13) . . . . ?
B5B B4B B9B B8B 138.61(14) . . . . ?
B5B B4B B9B B12B 101.57(14) . . . . ?
B5B B4B B9B B10B 37.35(13) . . . . ?
B5B B9B B10B B6B 38.33(13) . . . . ?
B5B B9B B10B B12B 139.27(14) . . . . ?
B5B B9B B10B B11B 102.24(15) . . . . ?
B5B B10B B11B C2B 1.35(17) . . . . ?
B5B B10B B11B B7B 62.50(17) . . . . ?
B5B B10B B11B B6B -38.21(13) . . . . ?
B5B B10B B11B B12B 100.33(15) . . . . ?
B9A B5A B10A B6A -137.61(15) . . . . ?
B9A B5A B10A B11A -99.37(16) . . . . ?
B9A B5A B10A B12A -36.47(13) . . . . ?
B9A B5A B4A C1A 135.28(14) . . . . ?
B9A B5A B4A B8A 37.30(13) . . . . ?
B9A B5A B4A B3A 99.92(15) . . . . ?
B9A B8A B3A C1A 1.07(17) . . . . ?
B9A B8A B3A C2A -60.36(16) . . . . ?
B9A B8A B3A B7A -99.38(16) . . . . ?
B9A B8A B3A B4A 38.44(13) . . . . ?
B9A B8A B4A C1A -98.52(15) . . . . ?
B9A B8A B4A B5A -37.01(12) . . . . ?
B9A B8A B4A B3A -136.58(15) . . . . ?
B9A B8A B12A B7A 137.79(15) . . . . ?
B9A B8A B12A B10A 37.52(13) . . . . ?
B9A B8A B12A B11A 100.58(15) . . . . ?
B9A B10A B11A C2A -62.10(16) . . . . ?
B9A B10A B11A B7A -0.81(18) . . . . ?
B9A B10A B11A B6A -101.79(15) . . . . ?
B9A B10A B11A B12A 36.82(13) . . . . ?
B9A B10A B12A B7A -100.80(15) . . . . ?
B9A B10A B12A B8A -37.84(13) . . . . ?
B9A B10A B12A B11A -138.22(15) . . . . ?
B5D C1D B4D B3D 140.18(14) . . . . ?
B5D C1D B4D B8D 102.04(15) . . . . ?
B5D C1D B4D B9D 39.12(13) . . . . ?
B5D C1D B6D C2D -136.14(13) . . . . ?
B5D C1D B6D B10D -39.08(12) . . . . ?
B5D C1D B6D B11D -101.46(14) . . . . ?
B5D C1D B3D C2D 97.77(13) . . . . ?
B5D C1D B3D B4D -38.29(13) . . . . ?
B5D C1D B3D B7D 62.90(16) . . . . ?
B5D C1D B3D B8D 0.01(17) . . . . ?
B5D B4D B3D C2D -2.77(17) . . . . ?
B5D B4D B3D C1D 35.24(12) . . . . ?
B5D B4D B3D B7D -63.73(17) . . . . ?
B5D B4D B3D B8D -101.25(15) . . . . ?
B5D B4D B8D B3D 100.36(14) . . . . ?
B5D B4D B8D B7D 62.67(16) . . . . ?
B5D B4D B8D B9D -36.89(12) . . . . ?
B5D B4D B8D B12D -0.47(17) . . . . ?
B5D B4D B9D B8D 138.84(13) . . . . ?
B5D B4D B9D B10D 37.36(13) . . . . ?
B5D B4D B9D B12D 101.69(15) . . . . ?
B5D B6D B10D B9D -37.80(13) . . . . ?
B5D B6D B10D B11D -137.77(14) . . . . ?
B5D B6D B10D B12D -100.75(15) . . . . ?
B5D B6D B11D C2D -95.79(14) . . . . ?
B5D B6D B11D B7D -63.26(15) . . . . ?
B5D B6D B11D B10D 37.70(13) . . . . ?
B5D B6D B11D B12D 0.28(17) . . . . ?
B5D B9D B10D B6D 38.12(13) . . . . ?
B5D B9D B10D B11D 101.83(14) . . . . ?
B5D B9D B10D B12D 139.25(14) . . . . ?
B5D B9D B12D B7D 63.81(17) . . . . ?
B5D B9D B12D B8D 101.08(15) . . . . ?
B5D B9D B12D B10D -36.75(13) . . . . ?
B5D B9D B12D B11D 0.59(18) . . . . ?
B5D B10D B11D C2D 1.87(18) . . . . ?
B5D B10D B11D B6D -38.12(13) . . . . ?
B5D B10D B11D B7D 63.08(17) . . . . ?
B5D B10D B11D B12D 100.49(15) . . . . ?
B5D B10D B12D B7D -64.17(16) . . . . ?
B5D B10D B12D B8D -1.21(17) . . . . ?
B5D B10D B12D B9D 36.40(12) . . . . ?
B5D B10D B12D B11D -101.41(14) . . . . ?
B6A C1A C2A B7A -108.22(14) . . . . ?
B6A C1A C2A B3A -146.89(13) . . . . ?
B6A C1A C2A B11A -39.20(13) . . . . ?
B6A C1A B5A B9A 101.52(15) . . . . ?
B6A C1A B5A B10A 39.15(13) . . . . ?
B6A C1A B5A B4A 140.46(14) . . . . ?
B6A C1A B3A C2A 30.22(12) . . . . ?
B6A C1A B3A B7A -4.77(16) . . . . ?
B6A C1A B3A B8A -67.49(15) . . . . ?
B6A C1A B3A B4A -105.85(14) . . . . ?
B6A C1A B4A B9A 1.53(18) . . . . ?
B6A C1A B4A B5A -37.52(13) . . . . ?
B6A C1A B4A B8A 64.58(17) . . . . ?
B6A C1A B4A B3A 102.57(14) . . . . ?
B6A C2A B7A B8A -67.36(17) . . . . ?
B6A C2A B7A B3A -107.02(15) . . . . ?
B6A C2A B7A B11A 36.43(13) . . . . ?
B6A C2A B7A B12A -4.03(18) . . . . ?
B6A C2A B3A C1A -32.39(13) . . . . ?
B6A C2A B3A B7A 107.43(15) . . . . ?
B6A C2A B3A B8A 67.60(17) . . . . ?
B6A C2A B3A B4A 5.12(18) . . . . ?
B6A C2A B11A B7A -143.32(13) . . . . ?
B6A C2A B11A B10A -39.95(13) . . . . ?
B6A C2A B11A B12A -103.02(14) . . . . ?
B6A B5A B10A B9A 137.61(15) . . . . ?
B6A B5A B10A B11A 38.24(14) . . . . ?
B6A B5A B10A B12A 101.14(15) . . . . ?
B6A B5A B4A C1A 35.58(12) . . . . ?
B6A B5A B4A B9A -99.70(15) . . . . ?
B6A B5A B4A B8A -62.40(16) . . . . ?
B6A B5A B4A B3A 0.22(18) . . . . ?
B6A B10A B11A C2A 39.69(13) . . . . ?
B6A B10A B11A B7A 100.98(15) . . . . ?
B6A B10A B11A B12A 138.61(15) . . . . ?
B6A B10A B12A B7A 0.04(19) . . . . ?
B6A B10A B12A B9A 100.85(16) . . . . ?
B6A B10A B12A B8A 63.00(17) . . . . ?
B6A B10A B12A B11A -37.37(13) . . . . ?
B6A B11A B12A B7A -101.17(15) . . . . ?
B6A B11A B12A B9A -0.31(19) . . . . ?
B6A B11A B12A B8A -64.09(17) . . . . ?
B6A B11A B12A B10A 36.82(13) . . . . ?
B5A C1A C2A B7A -68.56(16) . . . . ?
B5A C1A C2A B6A 39.66(13) . . . . ?
B5A C1A C2A B3A -107.23(14) . . . . ?
B5A C1A C2A B11A 0.47(17) . . . . ?
B5A C1A B6A C2A -136.33(13) . . . . ?
B5A C1A B6A B10A -39.18(13) . . . . ?
B5A C1A B6A B11A -101.63(14) . . . . ?
B5A C1A B3A C2A 97.42(14) . . . . ?
B5A C1A B3A B7A 62.44(16) . . . . ?
B5A C1A B3A B8A -0.29(17) . . . . ?
B5A C1A B3A B4A -38.65(14) . . . . ?
B5A C1A B4A B9A 39.05(13) . . . . ?
B5A C1A B4A B8A 102.10(16) . . . . ?
B5A C1A B4A B3A 140.09(14) . . . . ?
B5A B9A B8A B7A -64.86(18) . . . . ?
B5A B9A B8A B3A -1.48(19) . . . . ?
B5A B9A B8A B4A 37.31(13) . . . . ?
B5A B9A B8A B12A -101.87(16) . . . . ?
B5A B9A B10A B6A 38.13(13) . . . . ?
B5A B9A B10A B11A 102.12(14) . . . . ?
B5A B9A B10A B12A 138.95(14) . . . . ?
B5A B9A B4A C1A -38.42(12) . . . . ?
B5A B9A B4A B8A -138.66(14) . . . . ?
B5A B9A B4A B3A -100.51(14) . . . . ?
B5A B9A B12A B7A 63.45(19) . . . . ?
B5A B9A B12A B8A 100.97(15) . . . . ?
B5A B9A B12A B10A -36.91(14) . . . . ?
B5A B9A B12A B11A 0.21(19) . . . . ?
B5A B6A B10A B9A -38.08(14) . . . . ?
B5A B6A B10A B11A -137.72(15) . . . . ?
B5A B6A B10A B12A -100.92(16) . . . . ?
B5A B6A B11A C2A -95.78(14) . . . . ?
B5A B6A B11A B7A -63.21(16) . . . . ?
B5A B6A B11A B10A 37.81(13) . . . . ?
B5A B6A B11A B12A 0.29(18) . . . . ?
B5A B10A B11A C2A 1.57(18) . . . . ?
B5A B10A B11A B7A 62.86(17) . . . . ?
B5A B10A B11A B6A -38.12(13) . . . . ?
B5A B10A B11A B12A 100.49(16) . . . . ?
B5A B10A B12A B7A -63.92(17) . . . . ?
B5A B10A B12A B9A 36.89(13) . . . . ?
B5A B10A B12A B8A -0.96(17) . . . . ?
B5A B10A B12A B11A -101.33(14) . . . . ?
B8A B7A B3A C1A -98.95(14) . . . . ?
B8A B7A B3A C2A -134.26(14) . . . . ?
B8A B7A B3A B4A -37.79(13) . . . . ?
B8A B7A B11A C2A 95.52(14) . . . . ?
B8A B7A B11A B6A 62.91(17) . . . . ?
B8A B7A B11A B10A 0.00(18) . . . . ?
B8A B7A B11A B12A -38.09(13) . . . . ?
B8A B7A B12A B9A 37.89(14) . . . . ?
B8A B7A B12A B10A 100.93(16) . . . . ?
B8A B7A B12A B11A 138.25(15) . . . . ?
B8A B9A B5A C1A 1.27(18) . . . . ?
B8A B9A B5A B6A 64.28(18) . . . . ?
B8A B9A B5A B10A 101.69(16) . . . . ?
B8A B9A B5A B4A -37.00(13) . . . . ?
B8A B9A B10A B6A -62.69(18) . . . . ?
B8A B9A B10A B5A -100.81(15) . . . . ?
B8A B9A B10A B11A 1.31(18) . . . . ?
B8A B9A B10A B12A 38.14(13) . . . . ?
B8A B9A B4A C1A 100.24(14) . . . . ?
B8A B9A B4A B5A 138.66(14) . . . . ?
B8A B9A B4A B3A 38.15(13) . . . . ?
B8A B9A B12A B7A -37.52(13) . . . . ?
B8A B9A B12A B10A -137.88(14) . . . . ?
B8A B9A B12A B11A -100.76(15) . . . . ?
B8A B3A B4A C1A -136.56(15) . . . . ?
B8A B3A B4A B9A -38.71(14) . . . . ?
B8A B3A B4A B5A -101.60(16) . . . . ?
B6D C2D C1D N1D -106.09(14) . . . . ?
B6D C2D C1D B4D 106.44(13) . . . . ?
B6D C2D C1D B5D 39.99(12) . . . . ?
B6D C2D C1D B3D 146.81(13) . . . . ?
B6D C2D B3D C1D -32.35(13) . . . . ?
B6D C2D B3D B4D 5.06(18) . . . . ?
B6D C2D B3D B7D 107.67(15) . . . . ?
B6D C2D B3D B8D 67.40(17) . . . . ?
B6D C2D B7D B3D -106.64(14) . . . . ?
B6D C2D B7D B8D -66.68(16) . . . . ?
B6D C2D B7D B11D 36.37(13) . . . . ?
B6D C2D B7D B12D -3.90(17) . . . . ?
B6D C2D B11D B7D -143.33(13) . . . . ?
B6D C2D B11D B10D -40.28(12) . . . . ?
B6D C2D B11D B12D -103.14(14) . . . . ?
B6D C1D B4D B5D -37.54(13) . . . . ?
B6D C1D B4D B3D 102.64(14) . . . . ?
B6D C1D B4D B8D 64.49(16) . . . . ?
B6D C1D B4D B9D 1.58(17) . . . . ?
B6D C1D B5D B4D 140.52(14) . . . . ?
B6D C1D B5D B9D 101.63(14) . . . . ?
B6D C1D B5D B10D 39.01(13) . . . . ?
B6D C1D B3D C2D 30.32(12) . . . . ?
B6D C1D B3D B4D -105.73(13) . . . . ?
B6D C1D B3D B7D -4.54(16) . . . . ?
B6D C1D B3D B8D -67.43(15) . . . . ?
B6D B5D B9D B4D 100.92(13) . . . . ?
B6D B5D B9D B8D 63.95(16) . . . . ?
B6D B5D B9D B10D -37.41(12) . . . . ?
B6D B5D B9D B12D -0.42(18) . . . . ?
B6D B5D B10D B9D 137.63(14) . . . . ?
B6D B5D B10D B11D 38.05(13) . . . . ?
B6D B5D B10D B12D 101.39(14) . . . . ?
B6D B10D B11D C2D 39.99(12) . . . . ?
B6D B10D B11D B7D 101.20(15) . . . . ?
B6D B10D B11D B12D 138.61(14) . . . . ?
B6D B10D B12D B7D -0.05(18) . . . . ?
B6D B10D B12D B8D 62.91(16) . . . . ?
B6D B10D B12D B9D 100.52(14) . . . . ?
B6D B10D B12D B11D -37.29(13) . . . . ?
B6D B11D B12D B7D -101.26(15) . . . . ?
B6D B11D B12D B8D -63.71(17) . . . . ?
B6D B11D B12D B9D -0.54(18) . . . . ?
B6D B11D B12D B10D 36.98(13) . . . . ?
B3D C2D C1D N1D 107.10(14) . . . . ?
B3D C2D C1D B4D -40.37(12) . . . . ?
B3D C2D C1D B5D -106.82(14) . . . . ?
B3D C2D C1D B6D -146.81(13) . . . . ?
B3D C2D B6D C1D 32.16(13) . . . . ?
B3D C2D B6D B5D -5.13(18) . . . . ?
B3D C2D B6D B10D -67.18(16) . . . . ?
B3D C2D B6D B11D -107.44(15) . . . . ?
B3D C2D B7D B8D 39.95(12) . . . . ?
B3D C2D B7D B11D 143.00(13) . . . . ?
B3D C2D B7D B12D 102.74(14) . . . . ?
B3D C2D B11D B6D 106.73(14) . . . . ?
B3D C2D B11D B7D -36.60(13) . . . . ?
B3D C2D B11D B10D 66.45(17) . . . . ?
B3D C2D B11D B12D 3.59(18) . . . . ?
B3D C1D B4D B5D -140.18(14) . . . . ?
B3D C1D B4D B8D -38.14(13) . . . . ?
B3D C1D B4D B9D -101.06(14) . . . . ?
B3D C1D B5D B4D 38.15(13) . . . . ?
B3D C1D B5D B6D -102.37(14) . . . . ?
B3D C1D B5D B9D -0.74(17) . . . . ?
B3D C1D B5D B10D -63.36(16) . . . . ?
B3D C1D B6D C2D -30.29(12) . . . . ?
B3D C1D B6D B5D 105.85(14) . . . . ?
B3D C1D B6D B10D 66.78(15) . . . . ?
B3D C1D B6D B11D 4.39(16) . . . . ?
B3D B4D B5D C1D -35.51(12) . . . . ?
B3D B4D B5D B6D -0.14(18) . . . . ?
B3D B4D B5D B9D 99.90(14) . . . . ?
B3D B4D B5D B10D 62.60(16) . . . . ?
B3D B4D B8D B7D -37.69(13) . . . . ?
B3D B4D B8D B9D -137.25(14) . . . . ?
B3D B4D B8D B12D -100.83(14) . . . . ?
B3D B4D B9D B5D -101.13(14) . . . . ?
B3D B4D B9D B8D 37.71(13) . . . . ?
B3D B4D B9D B10D -63.77(17) . . . . ?
B3D B4D B9D B12D 0.56(18) . . . . ?
B3D B7D B8D B4D 37.76(13) . . . . ?
B3D B7D B8D B9D 100.90(15) . . . . ?
B3D B7D B8D B12D 137.98(15) . . . . ?
B3D B7D B11D C2D 32.55(12) . . . . ?
B3D B7D B11D B6D -0.17(17) . . . . ?
B3D B7D B11D B10D -63.45(16) . . . . ?
B3D B7D B11D B12D -101.19(14) . . . . ?
B3D B7D B12D B8D -37.40(13) . . . . ?
B3D B7D B12D B9D 0.00(18) . . . . ?
B3D B7D B12D B10D 63.22(17) . . . . ?
B3D B7D B12D B11D 100.26(15) . . . . ?
B3D B8D B9D B4D -38.30(12) . . . . ?
B3D B8D B9D B5D -1.20(18) . . . . ?
B3D B8D B9D B10D 62.54(17) . . . . ?
B3D B8D B9D B12D 100.69(14) . . . . ?
B3D B8D B12D B7D 37.64(13) . . . . ?
B3D B8D B12D B9D -100.40(15) . . . . ?
B3D B8D B12D B10D -62.82(16) . . . . ?
B3D B8D B12D B11D -0.04(18) . . . . ?
B6B C1B C2B B7B -108.05(15) . . . . ?
B6B C1B C2B B3B -146.62(13) . . . . ?
B6B C1B C2B B11B -38.86(13) . . . . ?
B6B C1B B5B B4B 140.08(14) . . . . ?
B6B C1B B5B B9B 101.34(14) . . . . ?
B6B C1B B5B B10B 38.51(12) . . . . ?
B6B C1B B3B C2B 30.37(12) . . . . ?
B6B C1B B3B B7B -4.57(16) . . . . ?
B6B C1B B3B B8B -67.25(15) . . . . ?
B6B C1B B3B B4B -105.54(14) . . . . ?
B6B C1B B4B B5B -37.89(13) . . . . ?
B6B C1B B4B B8B 64.19(16) . . . . ?
B6B C1B B4B B3B 102.42(14) . . . . ?
B6B C1B B4B B9B 1.03(18) . . . . ?
B6B C2B B7B B8B -67.03(17) . . . . ?
B6B C2B B7B B12B -4.04(18) . . . . ?
B6B C2B B7B B3B -107.13(15) . . . . ?
B6B C2B B7B B11B 36.28(13) . . . . ?
B6B C2B B3B C1B -32.71(13) . . . . ?
B6B C2B B3B B7B 107.20(15) . . . . ?
B6B C2B B3B B8B 66.90(17) . . . . ?
B6B C2B B3B B4B 4.82(19) . . . . ?
B6B C2B B11B B7B -143.33(13) . . . . ?
B6B C2B B11B B12B -102.89(14) . . . . ?
B6B C2B B11B B10B -39.90(12) . . . . ?
B6B B5B B4B C1B 35.71(12) . . . . ?
B6B B5B B4B B8B -62.52(16) . . . . ?
B6B B5B B4B B3B 0.35(18) . . . . ?
B6B B5B B4B B9B -99.87(15) . . . . ?
B6B B5B B9B B8B 63.82(17) . . . . ?
B6B B5B B9B B12B -0.44(18) . . . . ?
B6B B5B B9B B4B 100.92(14) . . . . ?
B6B B5B B9B B10B -37.34(12) . . . . ?
B6B B5B B10B B12B 101.23(14) . . . . ?
B6B B5B B10B B9B 137.52(14) . . . . ?
B6B B5B B10B B11B 38.12(13) . . . . ?
B6B B10B B11B C2B 39.56(12) . . . . ?
B6B B10B B11B B7B 100.71(15) . . . . ?
B6B B10B B11B B12B 138.55(14) . . . . ?
B8B B7B B12B B9B 37.43(13) . . . . ?
B8B B7B B12B B10B 100.58(15) . . . . ?
B8B B7B B12B B11B 137.99(15) . . . . ?
B8B B7B B3B C1B -98.52(14) . . . . ?
B8B B7B B3B C2B -133.63(14) . . . . ?
B8B B7B B3B B4B -37.50(13) . . . . ?
B8B B7B B11B C2B 95.47(15) . . . . ?
B8B B7B B11B B6B 62.99(17) . . . . ?
B8B B7B B11B B12B -38.07(13) . . . . ?
B8B B7B B11B B10B 0.13(18) . . . . ?
B8B B12B B9B B5B 101.08(15) . . . . ?
B8B B12B B9B B4B 36.78(13) . . . . ?
B8B B12B B9B B10B 137.70(14) . . . . ?
B8B B12B B10B B5B -1.32(17) . . . . ?
B8B B12B B10B B6B 63.01(16) . . . . ?
B8B B12B B10B B9B -37.73(12) . . . . ?
B8B B12B B10B B11B 100.39(15) . . . . ?
B8B B12B B11B C2B -2.48(17) . . . . ?
B8B B12B B11B B7B 37.25(13) . . . . ?
B8B B12B B11B B6B -63.73(17) . . . . ?
B8B B12B B11B B10B -100.59(15) . . . . ?
B8B B3B B4B C1B -136.38(14) . . . . ?
B8B B3B B4B B5B -101.38(15) . . . . ?
B8B B3B B4B B9B -38.25(13) . . . . ?
B8B B4B B9B B5B -138.61(14) . . . . ?
B8B B4B B9B B12B -37.04(13) . . . . ?
B8B B4B B9B B10B -101.26(15) . . . . ?
B8B B9B B10B B5B -101.11(15) . . . . ?
B8B B9B B10B B6B -62.78(17) . . . . ?
B8B B9B B10B B12B 38.16(13) . . . . ?
B8B B9B B10B B11B 1.13(18) . . . . ?
B7D C2D C1D N1D 145.54(13) . . . . ?
B7D C2D C1D B4D -1.94(17) . . . . ?
B7D C2D C1D B5D -68.39(16) . . . . ?
B7D C2D C1D B6D -108.37(14) . . . . ?
B7D C2D C1D B3D 38.43(13) . . . . ?
B7D C2D B6D C1D 103.20(14) . . . . ?
B7D C2D B6D B5D 65.91(16) . . . . ?
B7D C2D B6D B10D 3.85(17) . . . . ?
B7D C2D B6D B11D -36.40(13) . . . . ?
B7D C2D B3D C1D -140.03(13) . . . . ?
B7D C2D B3D B4D -102.61(14) . . . . ?
B7D C2D B3D B8D -40.28(12) . . . . ?
B7D C2D B11D B6D 143.33(13) . . . . ?
B7D C2D B11D B10D 103.05(14) . . . . ?
B7D C2D B11D B12D 40.19(13) . . . . ?
B7D B3D B8D B4D -138.13(15) . . . . ?
B7D B3D B8D B9D -100.14(15) . . . . ?
B7D B3D B8D B12D -37.36(13) . . . . ?
B7D B8D B9D B4D -101.82(15) . . . . ?
B7D B8D B9D B5D -64.73(17) . . . . ?
B7D B8D B9D B10D -0.98(18) . . . . ?
B7D B8D B9D B12D 37.16(13) . . . . ?
B7D B8D B12D B9D -138.05(14) . . . . ?
B7D B8D B12D B10D -100.46(14) . . . . ?
B7D B8D B12D B11D -37.68(13) . . . . ?
B7D B11D B12D B8D 37.55(13) . . . . ?
B7D B11D B12D B9D 100.72(15) . . . . ?
B7D B11D B12D B10D 138.24(14) . . . . ?
B3A C1A C2A B7A 38.67(13) . . . . ?
B3A C1A C2A B6A 146.89(13) . . . . ?
B3A C1A C2A B11A 107.70(15) . . . . ?
B3A C1A B6A C2A -30.21(12) . . . . ?
B3A C1A B6A B5A 106.12(14) . . . . ?
B3A C1A B6A B10A 66.94(15) . . . . ?
B3A C1A B6A B11A 4.49(16) . . . . ?
B3A C1A B5A B9A -0.62(18) . . . . ?
B3A C1A B5A B6A -102.14(14) . . . . ?
B3A C1A B5A B10A -62.99(17) . . . . ?
B3A C1A B5A B4A 38.33(13) . . . . ?
B3A C1A B4A B9A -101.04(15) . . . . ?
B3A C1A B4A B5A -140.09(14) . . . . ?
B3A C1A B4A B8A -37.98(13) . . . . ?
B3A C2A B7A B8A 39.66(13) . . . . ?
B3A C2A B7A B11A 143.44(13) . . . . ?
B3A C2A B7A B12A 102.99(14) . . . . ?
B3A C2A B6A C1A 32.19(13) . . . . ?
B3A C2A B6A B5A -4.97(18) . . . . ?
B3A C2A B6A B10A -67.13(17) . . . . ?
B3A C2A B6A B11A -107.36(15) . . . . ?
B3A C2A B11A B7A -36.17(13) . . . . ?
B3A C2A B11A B6A 107.14(15) . . . . ?
B3A C2A B11A B10A 67.20(17) . . . . ?
B3A C2A B11A B12A 4.13(18) . . . . ?
B3A B7A B8A B9A 100.91(15) . . . . ?
B3A B7A B8A B4A 38.02(14) . . . . ?
B3A B7A B8A B12A 137.80(15) . . . . ?
B3A B7A B11A C2A 32.23(12) . . . . ?
B3A B7A B11A B6A -0.37(17) . . . . ?
B3A B7A B11A B10A -63.28(16) . . . . ?
B3A B7A B11A B12A -101.37(15) . . . . ?
B3A B7A B12A B9A 0.22(19) . . . . ?
B3A B7A B12A B8A -37.67(13) . . . . ?
B3A B7A B12A B10A 63.26(17) . . . . ?
B3A B7A B12A B11A 100.59(15) . . . . ?
B3A B8A B4A C1A 38.06(13) . . . . ?
B3A B8A B4A B9A 136.58(15) . . . . ?
B3A B8A B4A B5A 99.57(14) . . . . ?
B3A B8A B12A B7A 37.75(13) . . . . ?
B3A B8A B12A B9A -100.03(15) . . . . ?
B3A B8A B12A B10A -62.52(17) . . . . ?
B3A B8A B12A B11A 0.55(18) . . . . ?
B8D B4D B5D C1D -98.39(14) . . . . ?
B8D B4D B5D B6D -63.02(16) . . . . ?
B8D B4D B5D B9D 37.02(12) . . . . ?
B8D B4D B5D B10D -0.28(16) . . . . ?
B8D B4D B3D C2D 98.49(14) . . . . ?
B8D B4D B3D C1D 136.50(14) . . . . ?
B8D B4D B3D B7D 37.52(13) . . . . ?
B8D B4D B9D B5D -138.84(13) . . . . ?
B8D B4D B9D B10D -101.48(15) . . . . ?
B8D B4D B9D B12D -37.15(13) . . . . ?
B8D B3D B7D C2D 133.77(14) . . . . ?
B8D B3D B7D B11D 101.37(14) . . . . ?
B8D B3D B7D B12D 37.88(13) . . . . ?
B8D B7D B11D C2D 95.52(14) . . . . ?
B8D B7D B11D B6D 62.80(16) . . . . ?
B8D B7D B11D B10D -0.47(18) . . . . ?
B8D B7D B11D B12D -38.22(13) . . . . ?
B8D B7D B12D B9D 37.40(13) . . . . ?
B8D B7D B12D B10D 100.62(15) . . . . ?
B8D B7D B12D B11D 137.66(15) . . . . ?
B8D B9D B10D B5D -101.14(14) . . . . ?
B8D B9D B10D B6D -63.02(17) . . . . ?
B8D B9D B10D B11D 0.70(18) . . . . ?
B8D B9D B10D B12D 38.12(13) . . . . ?
B8D B9D B12D B7D -37.27(13) . . . . ?
B8D B9D B12D B10D -137.83(14) . . . . ?
B8D B9D B12D B11D -100.48(15) . . . . ?
B12B B7B B8B B3B -138.05(15) . . . . ?
B12B B7B B8B B4B -100.06(15) . . . . ?
B12B B7B B8B B9B -37.08(13) . . . . ?
B12B B7B B3B C1B -60.55(16) . . . . ?
B12B B7B B3B C2B -95.66(14) . . . . ?
B12B B7B B3B B8B 37.98(13) . . . . ?
B12B B7B B3B B4B 0.48(18) . . . . ?
B12B B7B B11B C2B 133.54(14) . . . . ?
B12B B7B B11B B6B 101.06(15) . . . . ?
B12B B7B B11B B10B 38.20(13) . . . . ?
B12B B8B B3B C1B 63.33(16) . . . . ?
B12B B8B B3B C2B 2.26(18) . . . . ?
B12B B8B B3B B7B -37.26(13) . . . . ?
B12B B8B B3B B4B 100.72(15) . . . . ?
B12B B8B B4B C1B -62.57(16) . . . . ?
B12B B8B B4B B5B -0.72(17) . . . . ?
B12B B8B B4B B3B -100.90(15) . . . . ?
B12B B8B B4B B9B 36.35(13) . . . . ?
B12B B8B B9B B5B -101.70(15) . . . . ?
B12B B8B B9B B4B -139.05(14) . . . . ?
B12B B8B B9B B10B -38.17(13) . . . . ?
B12B B9B B10B B5B -139.27(14) . . . . ?
B12B B9B B10B B6B -100.94(15) . . . . ?
B12B B9B B10B B11B -37.03(13) . . . . ?
B12B B10B B11B C2B -98.99(14) . . . . ?
B12B B10B B11B B7B -37.84(13) . . . . ?
B12B B10B B11B B6B -138.55(14) . . . . ?
B9D B4D B5D C1D -135.41(13) . . . . ?
B9D B4D B5D B6D -100.04(14) . . . . ?
B9D B4D B5D B10D -37.30(12) . . . . ?
B9D B4D B3D C2D 60.41(16) . . . . ?
B9D B4D B3D C1D 98.42(14) . . . . ?
B9D B4D B3D B7D -0.55(18) . . . . ?
B9D B4D B3D B8D -38.08(13) . . . . ?
B9D B4D B8D B3D 137.25(14) . . . . ?
B9D B4D B8D B7D 99.56(15) . . . . ?
B9D B4D B8D B12D 36.43(12) . . . . ?
B9D B5D B6D C2D -60.07(15) . . . . ?
B9D B5D B6D C1D -97.61(14) . . . . ?
B9D B5D B6D B10D 37.74(13) . . . . ?
B9D B5D B6D B11D 0.08(17) . . . . ?
B9D B5D B10D B6D -137.63(14) . . . . ?
B9D B5D B10D B11D -99.57(15) . . . . ?
B9D B5D B10D B12D -36.24(12) . . . . ?
B9D B8D B12D B7D 138.05(14) . . . . ?
B9D B8D B12D B10D 37.59(12) . . . . ?
B9D B8D B12D B11D 100.37(15) . . . . ?
B9D B10D B11D C2D -61.35(16) . . . . ?
B9D B10D B11D B6D -101.34(14) . . . . ?
B9D B10D B11D B7D -0.14(18) . . . . ?
B9D B10D B11D B12D 37.27(13) . . . . ?
B9D B10D B12D B7D -100.57(15) . . . . ?
B9D B10D B12D B8D -37.61(12) . . . . ?
B9D B10D B12D B11D -137.81(14) . . . . ?
B3B C1B C2B B7B 38.57(13) . . . . ?
B3B C1B C2B B6B 146.62(13) . . . . ?
B3B C1B C2B B11B 107.75(15) . . . . ?
B3B C1B B5B B6B -102.11(14) . . . . ?
B3B C1B B5B B4B 37.98(13) . . . . ?
B3B C1B B5B B9B -0.76(17) . . . . ?
B3B C1B B5B B10B -63.59(16) . . . . ?
B3B C1B B6B C2B -30.40(12) . . . . ?
B3B C1B B6B B5B 105.93(14) . . . . ?
B3B C1B B6B B10B 67.12(15) . . . . ?
B3B C1B B6B B11B 4.42(16) . . . . ?
B3B C1B B4B B5B -140.30(14) . . . . ?
B3B C1B B4B B8B -38.23(13) . . . . ?
B3B C1B B4B B9B -101.39(15) . . . . ?
B3B C2B B7B B8B 40.11(13) . . . . ?
B3B C2B B7B B12B 103.10(14) . . . . ?
B3B C2B B7B B11B 143.41(14) . . . . ?
B3B C2B B6B C1B 32.57(13) . . . . ?
B3B C2B B6B B5B -4.61(18) . . . . ?
B3B C2B B6B B10B -66.84(17) . . . . ?
B3B C2B B6B B11B -107.19(15) . . . . ?
B3B C2B B11B B7B -36.15(14) . . . . ?
B3B C2B B11B B6B 107.18(15) . . . . ?
B3B C2B B11B B12B 4.29(18) . . . . ?
B3B C2B B11B B10B 67.28(17) . . . . ?
B3B B7B B8B B12B 138.05(15) . . . . ?
B3B B7B B8B B4B 37.99(13) . . . . ?
B3B B7B B8B B9B 100.97(15) . . . . ?
B3B B7B B12B B8B -37.45(13) . . . . ?
B3B B7B B12B B9B -0.03(18) . . . . ?
B3B B7B B12B B10B 63.13(17) . . . . ?
B3B B7B B12B B11B 100.53(15) . . . . ?
B3B B7B B11B C2B 32.27(12) . . . . ?
B3B B7B B11B B6B -0.21(17) . . . . ?
B3B B7B B11B B12B -101.27(15) . . . . ?
B3B B7B B11B B10B -63.07(17) . . . . ?
B3B B8B B12B B7B 37.60(13) . . . . ?
B3B B8B B12B B9B -100.43(15) . . . . ?
B3B B8B B12B B10B -62.75(17) . . . . ?
B3B B8B B12B B11B 0.14(18) . . . . ?
B3B B8B B4B C1B 38.33(12) . . . . ?
B3B B8B B4B B5B 100.17(14) . . . . ?
B3B B8B B4B B9B 137.25(14) . . . . ?
B3B B8B B9B B5B -1.03(18) . . . . ?
B3B B8B B9B B12B 100.67(15) . . . . ?
B3B B8B B9B B4B -38.38(13) . . . . ?
B3B B8B B9B B10B 62.50(17) . . . . ?
B3B B4B B9B B5B -100.84(14) . . . . ?
B3B B4B B9B B8B 37.77(13) . . . . ?
B3B B4B B9B B12B 0.73(18) . . . . ?
B3B B4B B9B B10B -63.48(17) . . . . ?
B10D B5D B6D C2D -97.80(14) . . . . ?
B10D B5D B6D C1D -135.34(14) . . . . ?
B10D B5D B6D B11D -37.65(13) . . . . ?
B10D B5D B9D B4D 138.33(13) . . . . ?
B10D B5D B9D B8D 101.36(14) . . . . ?
B10D B5D B9D B12D 36.99(13) . . . . ?
B10D B6D B11D C2D -133.49(14) . . . . ?
B10D B6D B11D B7D -100.96(14) . . . . ?
B10D B6D B11D B12D -37.42(13) . . . . ?
B10D B9D B12D B7D 100.56(15) . . . . ?
B10D B9D B12D B8D 137.83(14) . . . . ?
B10D B9D B12D B11D 37.34(13) . . . . ?
B10D B11D B12D B7D -138.24(14) . . . . ?
B10D B11D B12D B8D -100.69(15) . . . . ?
B10D B11D B12D B9D -37.52(13) . . . . ?
B4B C1B C2B B7B -1.84(17) . . . . ?
B4B C1B C2B B6B 106.21(14) . . . . ?
B4B C1B C2B B3B -40.41(13) . . . . ?
B4B C1B C2B B11B 67.34(16) . . . . ?
B4B C1B B5B B6B -140.08(14) . . . . ?
B4B C1B B5B B9B -38.74(13) . . . . ?
B4B C1B B5B B10B -101.57(15) . . . . ?
B4B C1B B6B C2B -98.12(14) . . . . ?
B4B C1B B6B B5B 38.22(13) . . . . ?
B4B C1B B6B B10B -0.60(17) . . . . ?
B4B C1B B6B B11B -63.29(16) . . . . ?
B4B C1B B3B C2B 135.91(14) . . . . ?
B4B C1B B3B B7B 100.96(15) . . . . ?
B4B C1B B3B B8B 38.29(13) . . . . ?
B4B B5B B6B C1B -35.06(12) . . . . ?
B4B B5B B6B C2B 2.36(17) . . . . ?
B4B B5B B6B B10B 100.72(15) . . . . ?
B4B B5B B6B B11B 63.03(16) . . . . ?
B4B B5B B9B B8B -37.10(13) . . . . ?
B4B B5B B9B B12B -101.36(15) . . . . ?
B4B B5B B9B B10B -138.25(14) . . . . ?
B4B B5B B10B B6B -100.35(14) . . . . ?
B4B B5B B10B B12B 0.88(16) . . . . ?
B4B B5B B10B B9B 37.17(12) . . . . ?
B4B B5B B10B B11B -62.23(16) . . . . ?
B4B B8B B12B B7B 101.61(15) . . . . ?
B4B B8B B12B B9B -36.41(13) . . . . ?
B4B B8B B12B B10B 1.26(17) . . . . ?
B4B B8B B12B B11B 64.15(17) . . . . ?
B4B B8B B3B C1B -37.38(12) . . . . ?
B4B B8B B3B C2B -98.46(14) . . . . ?
B4B B8B B3B B7B -137.98(14) . . . . ?
B4B B8B B9B B5B 37.35(13) . . . . ?
B4B B8B B9B B12B 139.05(14) . . . . ?
B4B B8B B9B B10B 100.88(15) . . . . ?
B4B B9B B10B B5B -37.62(13) . . . . ?
B4B B9B B10B B6B 0.71(19) . . . . ?
B4B B9B B10B B12B 101.65(15) . . . . ?
B4B B9B B10B B11B 64.62(17) . . . . ?
B11D C2D C1D N1D -145.02(13) . . . . ?
B11D C2D C1D B4D 67.50(16) . . . . ?
B11D C2D C1D B5D 1.06(17) . . . . ?
B11D C2D C1D B6D -38.93(13) . . . . ?
B11D C2D C1D B3D 107.87(15) . . . . ?
B11D C2D B6D C1D 139.60(13) . . . . ?
B11D C2D B6D B5D 102.31(14) . . . . ?
B11D C2D B6D B10D 40.26(12) . . . . ?
B11D C2D B3D C1D -103.37(14) . . . . ?
B11D C2D B3D B4D -65.96(17) . . . . ?
B11D C2D B3D B7D 36.66(13) . . . . ?
B11D C2D B3D B8D -3.62(18) . . . . ?
B11D C2D B7D B3D -143.00(13) . . . . ?
B11D C2D B7D B8D -103.05(14) . . . . ?
B11D C2D B7D B12D -40.26(12) . . . . ?
B11D B6D B10D B5D 137.77(14) . . . . ?
B11D B6D B10D B9D 99.97(15) . . . . ?
B11D B6D B10D B12D 37.03(13) . . . . ?
B11D B7D B8D B4D -62.25(17) . . . . ?
B11D B7D B8D B3D -100.01(15) . . . . ?
B11D B7D B8D B9D 0.89(18) . . . . ?
B11D B7D B8D B12D 37.97(13) . . . . ?
B11D B7D B12D B8D -137.66(15) . . . . ?
B11D B7D B12D B9D -100.26(15) . . . . ?
B11D B7D B12D B10D -37.05(13) . . . . ?
B11D B10D B12D B7D 37.24(13) . . . . ?
B11D B10D B12D B8D 100.20(14) . . . . ?
B11D B10D B12D B9D 137.81(14) . . . . ?
B10A B9A B5A C1A -100.42(14) . . . . ?
B10A B9A B5A B6A -37.41(13) . . . . ?
B10A B9A B5A B4A -138.69(14) . . . . ?
B10A B9A B8A B7A -1.30(18) . . . . ?
B10A B9A B8A B3A 62.08(18) . . . . ?
B10A B9A B8A B4A 100.86(15) . . . . ?
B10A B9A B8A B12A -38.31(13) . . . . ?
B10A B9A B4A C1A -1.41(18) . . . . ?
B10A B9A B4A B5A 37.01(13) . . . . ?
B10A B9A B4A B8A -101.65(15) . . . . ?
B10A B9A B4A B3A -63.50(17) . . . . ?
B10A B9A B12A B7A 100.36(15) . . . . ?
B10A B9A B12A B8A 137.88(14) . . . . ?
B10A B9A B12A B11A 37.12(13) . . . . ?
B10A B6A B5A C1A 135.27(14) . . . . ?
B10A B6A B5A B9A 37.60(14) . . . . ?
B10A B6A B5A B4A 100.55(15) . . . . ?
B10A B6A B11A C2A -133.59(14) . . . . ?
B10A B6A B11A B7A -101.01(15) . . . . ?
B10A B6A B11A B12A -37.52(14) . . . . ?
B10A B5A B4A C1A 98.42(14) . . . . ?
B10A B5A B4A B9A -36.86(13) . . . . ?
B10A B5A B4A B8A 0.44(17) . . . . ?
B10A B5A B4A B3A 63.05(16) . . . . ?
B10A B11A B12A B7A -137.99(15) . . . . ?
B10A B11A B12A B9A -37.13(14) . . . . ?
B10A B11A B12A B8A -100.91(15) . . . . ?
B4A C1A C2A B7A -1.68(17) . . . . ?
B4A C1A C2A B6A 106.54(14) . . . . ?
B4A C1A C2A B3A -40.35(13) . . . . ?
B4A C1A C2A B11A 67.35(17) . . . . ?
B4A C1A B6A C2A -98.18(14) . . . . ?
B4A C1A B6A B5A 38.15(13) . . . . ?
B4A C1A B6A B10A -1.03(18) . . . . ?
B4A C1A B6A B11A -63.48(16) . . . . ?
B4A C1A B5A B9A -38.94(13) . . . . ?
B4A C1A B5A B6A -140.46(14) . . . . ?
B4A C1A B5A B10A -101.32(15) . . . . ?
B4A C1A B3A C2A 136.07(14) . . . . ?
B4A C1A B3A B7A 101.09(14) . . . . ?
B4A C1A B3A B8A 38.36(13) . . . . ?
B4A B9A B5A C1A 38.27(12) . . . . ?
B4A B9A B5A B6A 101.28(14) . . . . ?
B4A B9A B5A B10A 138.69(14) . . . . ?
B4A B9A B8A B7A -102.17(15) . . . . ?
B4A B9A B8A B3A -38.78(13) . . . . ?
B4A B9A B8A B12A -139.17(14) . . . . ?
B4A B9A B10A B6A 0.83(19) . . . . ?
B4A B9A B10A B5A -37.29(13) . . . . ?
B4A B9A B10A B11A 64.83(17) . . . . ?
B4A B9A B10A B12A 101.66(15) . . . . ?
B4A B9A B12A B7A -0.89(19) . . . . ?
B4A B9A B12A B8A 36.64(14) . . . . ?
B4A B9A B12A B10A -101.24(15) . . . . ?
B4A B9A B12A B11A -64.12(18) . . . . ?
B4A B5A B10A B9A 36.79(12) . . . . ?
B4A B5A B10A B6A -100.82(14) . . . . ?
B4A B5A B10A B11A -62.58(17) . . . . ?
B4A B5A B10A B12A 0.32(17) . . . . ?
B4A B8A B3A C1A -37.37(12) . . . . ?
B4A B8A B3A C2A -98.80(14) . . . . ?
B4A B8A B3A B7A -137.83(15) . . . . ?
B4A B8A B12A B7A 101.49(14) . . . . ?
B4A B8A B12A B9A -36.30(13) . . . . ?
B4A B8A B12A B10A 1.22(17) . . . . ?
B4A B8A B12A B11A 64.28(17) . . . . ?
B9B B5B B6B C1B -97.92(14) . . . . ?
B9B B5B B6B C2B -60.51(16) . . . . ?
B9B B5B B6B B10B 37.86(13) . . . . ?
B9B B5B B6B B11B 0.17(17) . . . . ?
B9B B5B B4B C1B 135.58(14) . . . . ?
B9B B5B B4B B8B 37.35(13) . . . . ?
B9B B5B B4B B3B 100.22(15) . . . . ?
B9B B5B B10B B6B -137.52(14) . . . . ?
B9B B5B B10B B12B -36.29(12) . . . . ?
B9B B5B B10B B11B -99.40(15) . . . . ?
B9B B8B B12B B7B 138.03(14) . . . . ?
B9B B8B B12B B10B 37.67(12) . . . . ?
B9B B8B B12B B11B 100.56(15) . . . . ?
B9B B8B B3B C1B 0.55(17) . . . . ?
B9B B8B B3B C2B -60.52(16) . . . . ?
B9B B8B B3B B7B -100.05(15) . . . . ?
B9B B8B B3B B4B 37.93(13) . . . . ?
B9B B8B B4B C1B -98.92(14) . . . . ?
B9B B8B B4B B5B -37.07(12) . . . . ?
B9B B8B B4B B3B -137.25(14) . . . . ?
B9B B12B B10B B5B 36.41(12) . . . . ?
B9B B12B B10B B6B 100.74(15) . . . . ?
B9B B12B B10B B11B 138.12(15) . . . . ?
B9B B12B B11B C2B 60.81(16) . . . . ?
B9B B12B B11B B7B 100.54(15) . . . . ?
B9B B12B B11B B6B -0.44(18) . . . . ?
B9B B12B B11B B10B -37.29(13) . . . . ?
B9B B10B B11B C2B -61.92(16) . . . . ?
B9B B10B B11B B7B -0.77(18) . . . . ?
B9B B10B B11B B6B -101.48(15) . . . . ?
B9B B10B B11B B12B 37.06(13) . . . . ?
B11A C2A B7A B8A -103.78(14) . . . . ?
B11A C2A B7A B3A -143.44(13) . . . . ?
B11A C2A B7A B12A -40.46(13) . . . . ?
B11A C2A B6A C1A 139.55(13) . . . . ?
B11A C2A B6A B5A 102.40(14) . . . . ?
B11A C2A B6A B10A 40.23(13) . . . . ?
B11A C2A B3A C1A -103.79(14) . . . . ?
B11A C2A B3A B7A 36.03(13) . . . . ?
B11A C2A B3A B8A -3.80(18) . . . . ?
B11A C2A B3A B4A -66.28(17) . . . . ?
B11A B7A B8A B9A 0.79(18) . . . . ?
B11A B7A B8A B3A -100.11(15) . . . . ?
B11A B7A B8A B4A -62.09(17) . . . . ?
B11A B7A B8A B12A 37.69(13) . . . . ?
B11A B7A B3A C1A 3.08(16) . . . . ?
B11A B7A B3A C2A -32.22(12) . . . . ?
B11A B7A B3A B8A 102.03(15) . . . . ?
B11A B7A B3A B4A 64.24(16) . . . . ?
B11A B7A B12A B9A -100.36(15) . . . . ?
B11A B7A B12A B8A -138.25(15) . . . . ?
B11A B7A B12A B10A -37.33(13) . . . . ?
B11A B6A B5A C1A 97.52(14) . . . . ?
B11A B6A B5A B9A -0.15(18) . . . . ?
B11A B6A B5A B10A -37.75(13) . . . . ?
B11A B6A B5A B4A 62.80(17) . . . . ?
B11A B6A B10A B9A 99.64(15) . . . . ?
B11A B6A B10A B5A 137.72(15) . . . . ?
B11A B6A B10A B12A 36.80(13) . . . . ?
B11A B10A B12A B7A 37.42(13) . . . . ?
B11A B10A B12A B9A 138.22(15) . . . . ?
B11A B10A B12A B8A 100.38(14) . . . . ?
B10B B5B B6B C1B -135.78(14) . . . . ?
B10B B5B B6B C2B -98.37(14) . . . . ?
B10B B5B B6B B11B -37.70(13) . . . . ?
B10B B5B B4B C1B 98.14(14) . . . . ?
B10B B5B B4B B8B -0.09(17) . . . . ?
B10B B5B B4B B3B 62.78(16) . . . . ?
B10B B5B B4B B9B -37.44(12) . . . . ?
B10B B5B B9B B8B 101.16(15) . . . . ?
B10B B5B B9B B12B 36.89(13) . . . . ?
B10B B5B B9B B4B 138.25(14) . . . . ?
B10B B6B B11B C2B -133.61(13) . . . . ?
B10B B6B B11B B7B -101.13(14) . . . . ?
B10B B6B B11B B12B -37.53(13) . . . . ?
B10B B12B B9B B5B -36.62(13) . . . . ?
B10B B12B B9B B8B -137.70(14) . . . . ?
B10B B12B B9B B4B -100.92(14) . . . . ?
B10B B12B B11B C2B 98.10(14) . . . . ?
B10B B12B B11B B7B 137.83(15) . . . . ?
B10B B12B B11B B6B 36.85(13) . . . . ?
B12A B7A B8A B9A -36.90(13) . . . . ?
B12A B7A B8A B3A -137.80(15) . . . . ?
B12A B7A B8A B4A -99.78(16) . . . . ?
B12A B7A B3A C1A -60.64(16) . . . . ?
B12A B7A B3A C2A -95.95(15) . . . . ?
B12A B7A B3A B8A 38.31(14) . . . . ?
B12A B7A B3A B4A 0.52(18) . . . . ?
B12A B7A B11A C2A 133.60(14) . . . . ?
B12A B7A B11A B6A 101.00(15) . . . . ?
B12A B7A B11A B10A 38.09(13) . . . . ?
B12A B9A B5A C1A -63.05(18) . . . . ?
B12A B9A B5A B6A -0.04(19) . . . . ?
B12A B9A B5A B10A 37.38(14) . . . . ?
B12A B9A B5A B4A -101.32(16) . . . . ?
B12A B9A B8A B7A 37.01(13) . . . . ?
B12A B9A B8A B3A 100.39(15) . . . . ?
B12A B9A B8A B4A 139.17(14) . . . . ?
B12A B9A B10A B6A -100.83(15) . . . . ?
B12A B9A B10A B5A -138.95(14) . . . . ?
B12A B9A B10A B11A -36.83(13) . . . . ?
B12A B9A B4A C1A 63.29(17) . . . . ?
B12A B9A B4A B5A 101.71(15) . . . . ?
B12A B9A B4A B8A -36.96(14) . . . . ?
B12A B9A B4A B3A 1.20(19) . . . . ?
B12A B8A B3A C1A 63.20(16) . . . . ?
B12A B8A B3A C2A 1.78(17) . . . . ?
B12A B8A B3A B7A -37.25(13) . . . . ?
B12A B8A B3A B4A 100.57(16) . . . . ?
B12A B8A B4A C1A -62.54(17) . . . . ?
B12A B8A B4A B9A 35.98(13) . . . . ?
B12A B8A B4A B5A -1.03(17) . . . . ?
B12A B8A B4A B3A -100.60(14) . . . . ?
B12A B10A B11A C2A -98.92(14) . . . . ?
B12A B10A B11A B7A -37.63(13) . . . . ?
B12A B10A B11A B6A -138.61(15) . . . . ?
B11B C2B B7B B8B -103.30(14) . . . . ?
B11B C2B B7B B12B -40.31(13) . . . . ?
B11B C2B B7B B3B -143.41(14) . . . . ?
B11B C2B B6B C1B 139.76(13) . . . . ?
B11B C2B B6B B5B 102.59(14) . . . . ?
B11B C2B B6B B10B 40.35(12) . . . . ?
B11B C2B B3B C1B -103.81(14) . . . . ?
B11B C2B B3B B7B 36.10(14) . . . . ?
B11B C2B B3B B8B -4.20(18) . . . . ?
B11B C2B B3B B4B -66.29(17) . . . . ?
B11B B7B B8B B12B 37.65(13) . . . . ?
B11B B7B B8B B3B -100.40(15) . . . . ?
B11B B7B B8B B4B -62.41(17) . . . . ?
B11B B7B B8B B9B 0.57(18) . . . . ?
B11B B7B B12B B8B -137.99(15) . . . . ?
B11B B7B B12B B9B -100.56(15) . . . . ?
B11B B7B B12B B10B -37.40(13) . . . . ?
B11B B7B B3B C1B 2.87(17) . . . . ?
B11B B7B B3B C2B -32.24(12) . . . . ?
B11B B7B B3B B8B 101.39(15) . . . . ?
B11B B7B B3B B4B 63.89(16) . . . . ?
B11B B6B B10B B5B 137.89(14) . . . . ?
B11B B6B B10B B12B 36.92(13) . . . . ?
B11B B6B B10B B9B 99.98(15) . . . . ?
B11B B12B B9B B5B 0.55(18) . . . . ?
B11B B12B B9B B8B -100.53(15) . . . . ?
B11B B12B B9B B4B -63.75(17) . . . . ?
B11B B12B B9B B10B 37.17(13) . . . . ?
B11B B12B B10B B5B -101.72(14) . . . . ?
B11B B12B B10B B6B -37.38(13) . . . . ?
B11B B12B B10B B9B -138.12(15) . . . . ?
B12D B7D B8D B4D -100.22(15) . . . . ?
B12D B7D B8D B3D -137.98(15) . . . . ?
B12D B7D B8D B9D -37.08(13) . . . . ?
B12D B7D B11D C2D 133.74(14) . . . . ?
B12D B7D B11D B6D 101.02(14) . . . . ?
B12D B7D B11D B10D 37.74(13) . . . . ?
B12D B8D B9D B4D -138.98(14) . . . . ?
B12D B8D B9D B5D -101.89(14) . . . . ?
B12D B8D B9D B10D -38.14(13) . . . . ?
B12D B9D B10D B5D -139.25(14) . . . . ?
B12D B9D B10D B6D -101.14(14) . . . . ?
B12D B9D B10D B11D -37.42(13) . . . . ?
B12D B10D B11D C2D -98.62(14) . . . . ?
B12D B10D B11D B6D -138.61(14) . . . . ?
B12D B10D B11D B7D -37.41(13) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_5234
_database_code_depnum_ccdc_archive 'CCDC 1440368'
_audit_update_record             
;
2015-12-03 deposited with the CCDC.
2016-01-12 downloaded from the CCDC.
;
_audit_creation_date             2015-10-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C14 H26 B10 N2 O2'
_chemical_formula_sum            'C14 H26 B10 N2 O2'
_chemical_formula_weight         362.47
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z-1/2'
'x, -y-1/2, z'

_cell_length_a                   11.409(4)
_cell_length_b                   16.464(5)
_cell_length_c                   10.356(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1945.1(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3475
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      27.706
_cell_measurement_theta_min      2.474
_shelx_estimated_absorpt_T_max   0.990
_shelx_estimated_absorpt_T_min   0.949
_exptl_absorpt_coefficient_mu    0.071
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6511
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0830 before and 0.0640 after correction.
The Ratio of minimum to maximum transmission is 0.8730.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.238
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       NEEDLE
_exptl_crystal_F_000             760
_exptl_crystal_size_max          0.74
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0713
_diffrn_reflns_av_unetI/netI     0.0413
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            29025
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.447
_diffrn_reflns_theta_min         2.656
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1848
_reflns_number_total             2531
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.307
_refine_diff_density_min         -0.253
_refine_diff_density_rms         0.051
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     150
_refine_ls_number_reflns         2531
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0681
_refine_ls_R_factor_gt           0.0436
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0472P)²+0.6215P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0984
_refine_ls_wR_factor_ref         0.1092
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C3(H3A), C6(H6A)
2.b Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C8(H8A,H8B)
2.c Aromatic/amide H refined with riding coordinates:
 C4(H4A), C5(H5A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.38265(11) 0.30914(7) 0.87507(11) 0.0125(3) Uani 1 1 d . . . . .
N1 N 0.37813(9) 0.33904(6) 0.74891(10) 0.0134(2) Uani 1 1 d . . . . .
B3 B 0.5056(2) 0.2500 0.90720(19) 0.0139(4) Uani 1 2 d S T P . .
H3 H 0.5771(19) 0.2500 0.8378(19) 0.017 Uiso 1 2 d RS T P . .
O2 O 0.26177(8) 0.37392(6) 0.72324(9) 0.0183(2) Uani 1 1 d . . . . .
B4 B 0.46688(15) 0.33972(9) 1.00060(14) 0.0164(3) Uani 1 1 d . . . . .
H4 H 0.5175(14) 0.3947(10) 0.9862(13) 0.020 Uiso 1 1 d R . . . .
C3 C 0.27438(12) 0.44590(8) 0.63882(12) 0.0170(3) Uani 1 1 d . . . . .
H3A H 0.1955 0.4691 0.6185 0.020 Uiso 1 1 calc R . . . .
B5 B 0.30933(15) 0.33968(9) 1.00829(14) 0.0170(3) Uani 1 1 d . . . . .
H5 H 0.2561(13) 0.3958(9) 0.9995(13) 0.020 Uiso 1 1 d R . . . .
C4 C 0.34808(13) 0.50795(8) 0.70938(12) 0.0187(3) Uani 1 1 d . . . . .
H4A H 0.3221 0.5614 0.7288 0.022 Uiso 1 1 calc R . . . .
B6 B 0.2624(2) 0.2500 0.91991(19) 0.0141(4) Uani 1 2 d S T P . .
H6 H 0.1847(18) 0.2500 0.8547(19) 0.017 Uiso 1 2 d RS T P . .
C5 C 0.45387(13) 0.47932(8) 0.74149(12) 0.0173(3) Uani 1 1 d . . . . .
H5A H 0.5106 0.5102 0.7874 0.021 Uiso 1 1 calc R . . . .
B8 B 0.5195(2) 0.2500 1.0800(2) 0.0190(5) Uani 1 2 d S T P . .
H8 H 0.6108(19) 0.2500 1.122(2) 0.023 Uiso 1 2 d RS T P . .
C6 C 0.47423(12) 0.39249(8) 0.69728(12) 0.0150(3) Uani 1 1 d . . . . .
H6A H 0.5530 0.3725 0.7252 0.018 Uiso 1 1 calc R . . . .
B9 B 0.39378(15) 0.30425(10) 1.14305(14) 0.0202(3) Uani 1 1 d . . . . .
H9 H 0.3993(13) 0.3402(9) 1.2346(15) 0.024 Uiso 1 1 d R . . . .
C7 C 0.46061(12) 0.38752(8) 0.54883(12) 0.0183(3) Uani 1 1 d . . . . .
H7A H 0.4720 0.3309 0.5193 0.022 Uiso 1 1 calc R . . . .
H7B H 0.5199 0.4222 0.5062 0.022 Uiso 1 1 calc R . . . .
B10 B 0.2640(2) 0.2500 1.0923(2) 0.0182(5) Uani 1 2 d S T P . .
H10 H 0.1820(19) 0.2500 1.148(2) 0.022 Uiso 1 2 d RS T P . .
C8 C 0.33503(13) 0.41722(9) 0.51377(12) 0.0195(3) Uani 1 1 d . . . . .
H8A H 0.3394 0.4625 0.4511 0.023 Uiso 1 1 calc R . . . .
H8B H 0.2898 0.3724 0.4741 0.023 Uiso 1 1 calc R . . . .


_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
C1 C1 1.947(2) 8_565 ?
C1 N1 1.3970(16) . ?
C1 B3 1.740(2) . ?
C1 B4 1.6932(19) . ?
C1 B5 1.6899(19) . ?
C1 B6 1.745(2) . ?
N1 O2 1.4707(14) . ?
N1 C6 1.5042(17) . ?
B3 C1 1.739(2) 8_565 ?
B3 H3 1.09(2) . ?
B3 B4 1.8199(19) . ?
B3 B4 1.8199(19) 8_565 ?
B3 B8 1.796(3) . ?
O2 C3 1.4796(15) . ?
B4 H4 1.085(16) . ?
B4 B5 1.799(2) . ?
B4 B8 1.794(2) . ?
B4 B9 1.792(2) . ?
C3 H3A 1.0000 . ?
C3 C4 1.5114(19) . ?
C3 C8 1.5423(19) . ?
B5 H5 1.109(15) . ?
B5 B6 1.818(2) . ?
B5 B9 1.793(2) . ?
B5 B10 1.790(2) . ?
C4 H4A 0.9500 . ?
C4 C5 1.338(2) . ?
B6 C1 1.745(2) 8_565 ?
B6 B5 1.818(2) 8_565 ?
B6 H6 1.11(2) . ?
B6 B10 1.785(3) . ?
C5 H5A 0.9500 . ?
C5 C6 1.5189(18) . ?
B8 B4 1.794(2) 8_565 ?
B8 H8 1.13(2) . ?
B8 B9 1.812(3) 8_565 ?
B8 B9 1.812(3) . ?
C6 H6A 1.0000 . ?
C6 C7 1.5473(18) . ?
B9 B9 1.786(3) 8_565 ?
B9 H9 1.120(15) . ?
B9 B10 1.807(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.557(2) . ?
B10 B5 1.790(2) 8_565 ?
B10 B9 1.807(3) 8_565 ?
B10 H10 1.10(2) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?

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
N1 C1 C1 110.63(7) . 8_565 ?
N1 C1 B3 113.94(11) . . ?
N1 C1 B4 129.36(11) . . ?
N1 C1 B5 129.82(11) . . ?
N1 C1 B6 114.60(11) . . ?
B3 C1 C1 55.96(6) . 8_565 ?
B3 C1 B6 105.70(10) . . ?
B4 C1 C1 107.29(7) . 8_565 ?
B4 C1 B3 64.02(9) . . ?
B4 C1 B6 114.06(11) . . ?
B5 C1 C1 107.31(7) . 8_565 ?
B5 C1 B3 114.17(11) . . ?
B5 C1 B4 64.26(9) . . ?
B5 C1 B6 63.87(9) . . ?
B6 C1 C1 56.09(6) . 8_565 ?
C1 N1 O2 109.87(9) . . ?
C1 N1 C6 120.78(10) . . ?
O2 N1 C6 111.42(9) . . ?
C1 B3 C1 68.08(12) 8_565 . ?
C1 B3 H3 118.6(8) 8_565 . ?
C1 B3 H3 118.6(8) . . ?
C1 B3 B4 56.76(8) 8_565 8_565 ?
C1 B3 B4 111.12(13) . 8_565 ?
C1 B3 B4 111.12(13) 8_565 . ?
C1 B3 B4 56.76(8) . . ?
C1 B3 B8 105.19(12) . . ?
C1 B3 B8 105.18(12) 8_565 . ?
B4 B3 H3 122.2(3) 8_565 . ?
B4 B3 H3 122.2(3) . . ?
B4 B3 B4 108.50(14) 8_565 . ?
B8 B3 H3 126.3(11) . . ?
B8 B3 B4 59.48(8) . . ?
B8 B3 B4 59.47(8) . 8_565 ?
N1 O2 C3 109.37(9) . . ?
C1 B4 B3 59.23(9) . . ?
C1 B4 H4 116.4(8) . . ?
C1 B4 B5 57.78(8) . . ?
C1 B4 B8 107.28(11) . . ?
C1 B4 B9 105.72(11) . . ?
B3 B4 H4 118.4(8) . . ?
B5 B4 B3 105.40(12) . . ?
B5 B4 H4 122.6(8) . . ?
B8 B4 B3 59.61(9) . . ?
B8 B4 H4 124.9(8) . . ?
B8 B4 B5 108.29(12) . . ?
B9 B4 B3 106.61(11) . . ?
B9 B4 H4 129.3(8) . . ?
B9 B4 B5 59.91(9) . . ?
B9 B4 B8 60.69(10) . . ?
O2 C3 H3A 110.1 . . ?
O2 C3 C4 108.05(10) . . ?
O2 C3 C8 107.13(10) . . ?
C4 C3 H3A 110.1 . . ?
C4 C3 C8 111.30(12) . . ?
C8 C3 H3A 110.1 . . ?
C1 B5 B4 57.96(8) . . ?
C1 B5 H5 116.8(7) . . ?
C1 B5 B6 59.55(9) . . ?
C1 B5 B9 105.82(11) . . ?
C1 B5 B10 107.11(11) . . ?
B4 B5 H5 122.9(8) . . ?
B4 B5 B6 105.81(11) . . ?
B6 B5 H5 118.3(8) . . ?
B9 B5 B4 59.86(9) . . ?
B9 B5 H5 129.0(7) . . ?
B9 B5 B6 106.61(11) . . ?
B10 B5 B4 108.08(12) . . ?
B10 B5 H5 124.7(8) . . ?
B10 B5 B6 59.31(10) . . ?
B10 B5 B9 60.58(11) . . ?
C3 C4 H4A 123.7 . . ?
C5 C4 C3 112.57(12) . . ?
C5 C4 H4A 123.7 . . ?
C1 B6 C1 67.82(12) 8_565 . ?
C1 B6 B5 110.81(14) 8_565 . ?
C1 B6 B5 56.58(8) 8_565 8_565 ?
C1 B6 B5 110.82(14) . 8_565 ?
C1 B6 B5 56.58(8) . . ?
C1 B6 H6 117.7(8) 8_565 . ?
C1 B6 H6 117.7(8) . . ?
C1 B6 B10 104.94(13) 8_565 . ?
C1 B6 B10 104.94(13) . . ?
B5 B6 B5 108.62(15) . 8_565 ?
B5 B6 H6 122.6(3) 8_565 . ?
B5 B6 H6 122.6(3) . . ?
B10 B6 B5 59.57(8) . 8_565 ?
B10 B6 B5 59.57(8) . . ?
B10 B6 H6 127.9(11) . . ?
C4 C5 H5A 123.4 . . ?
C4 C5 C6 113.25(12) . . ?
C6 C5 H5A 123.4 . . ?
B3 B8 H8 117.8(11) . . ?
B3 B8 B9 106.80(13) . . ?
B3 B8 B9 106.80(13) . 8_565 ?
B4 B8 B3 60.92(8) 8_565 . ?
B4 B8 B3 60.92(8) . . ?
B4 B8 B4 110.85(15) 8_565 . ?
B4 B8 H8 119.1(4) . . ?
B4 B8 H8 119.1(4) 8_565 . ?
B4 B8 B9 107.82(14) . 8_565 ?
B4 B8 B9 59.62(9) 8_565 8_565 ?
B4 B8 B9 107.82(14) 8_565 . ?
B4 B8 B9 59.62(9) . . ?
B9 B8 H8 126.3(8) 8_565 . ?
B9 B8 H8 126.3(8) . . ?
B9 B8 B9 59.07(13) 8_565 . ?
N1 C6 C5 109.39(10) . . ?
N1 C6 H6A 111.1 . . ?
N1 C6 C7 104.42(10) . . ?
C5 C6 H6A 111.1 . . ?
C5 C6 C7 109.51(11) . . ?
C7 C6 H6A 111.1 . . ?
B4 B9 B5 60.23(9) . . ?
B4 B9 B8 59.70(9) . . ?
B4 B9 H9 119.9(8) . . ?
B4 B9 B10 107.62(11) . . ?
B5 B9 B8 107.77(11) . . ?
B5 B9 H9 121.1(8) . . ?
B5 B9 B10 59.61(9) . . ?
B8 B9 H9 121.5(8) . . ?
B9 B9 B4 109.01(7) 8_565 . ?
B9 B9 B5 108.98(7) 8_565 . ?
B9 B9 B8 60.46(6) 8_565 . ?
B9 B9 H9 122.0(8) 8_565 . ?
B9 B9 B10 60.38(7) 8_565 . ?
B10 B9 B8 107.46(11) . . ?
B10 B9 H9 123.6(8) . . ?
C6 C7 H7A 110.1 . . ?
C6 C7 H7B 110.1 . . ?
C6 C7 C8 107.91(11) . . ?
H7A C7 H7B 108.4 . . ?
C8 C7 H7A 110.1 . . ?
C8 C7 H7B 110.1 . . ?
B5 B10 B5 111.16(15) . 8_565 ?
B5 B10 B9 108.21(14) . 8_565 ?
B5 B10 B9 108.21(14) 8_565 . ?
B5 B10 B9 59.81(9) . . ?
B5 B10 B9 59.81(9) 8_565 8_565 ?
B5 B10 H10 120.0(3) . . ?
B5 B10 H10 120.0(4) 8_565 . ?
B6 B10 B5 61.13(8) . 8_565 ?
B6 B10 B5 61.13(8) . . ?
B6 B10 B9 107.43(13) . 8_565 ?
B6 B10 B9 107.43(13) . . ?
B6 B10 H10 121.0(11) . . ?
B9 B10 B9 59.23(13) 8_565 . ?
B9 B10 H10 123.0(9) . . ?
B9 B10 H10 123.0(9) 8_565 . ?
C3 C8 C7 108.25(11) . . ?
C3 C8 H8A 110.0 . . ?
C3 C8 H8B 110.0 . . ?
C7 C8 H8A 110.0 . . ?
C7 C8 H8B 110.0 . . ?
H8A C8 H8B 108.4 . . ?

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
C1 C1 N1 O2 107.92(7) 8_565 . . . ?
C1 C1 N1 C6 -120.23(9) 8_565 . . . ?
C1 C1 B3 B4 -37.91(7) 8_565 . . 8_565 ?
C1 C1 B3 B4 -136.74(9) 8_565 . . . ?
C1 C1 B3 B8 -100.56(10) 8_565 . . . ?
C1 C1 B4 B3 36.49(8) 8_565 . . . ?
C1 C1 B4 B5 -101.29(7) 8_565 . . . ?
C1 C1 B4 B8 -0.19(12) 8_565 . . . ?
C1 C1 B4 B9 -63.76(10) 8_565 . . . ?
C1 C1 B5 B4 101.27(7) 8_565 . . . ?
C1 C1 B5 B6 -36.52(8) 8_565 . . . ?
C1 C1 B5 B9 63.74(10) 8_565 . . . ?
C1 C1 B5 B10 0.30(13) 8_565 . . . ?
C1 C1 B6 B5 136.80(10) 8_565 . . . ?
C1 C1 B6 B5 37.68(7) 8_565 . . 8_565 ?
C1 C1 B6 B10 100.33(10) 8_565 . . . ?
C1 N1 O2 C3 144.06(10) . . . . ?
C1 N1 C6 C5 -81.87(14) . . . . ?
C1 N1 C6 C7 161.00(11) . . . . ?
C1 B3 B4 C1 -42.96(10) 8_565 . . . ?
C1 B3 B4 B5 36.13(9) . . . . ?
C1 B3 B4 B5 -6.83(14) 8_565 . . . ?
C1 B3 B4 B8 95.63(13) 8_565 . . . ?
C1 B3 B4 B8 138.60(13) . . . . ?
C1 B3 B4 B9 55.75(14) 8_565 . . . ?
C1 B3 B4 B9 98.71(12) . . . . ?
C1 B3 B8 B4 -34.97(10) . . . . ?
C1 B3 B8 B4 34.97(10) 8_565 . . 8_565 ?
C1 B3 B8 B4 -105.87(13) 8_565 . . . ?
C1 B3 B8 B4 105.87(13) . . . 8_565 ?
C1 B3 B8 B9 66.44(9) . . . 8_565 ?
C1 B3 B8 B9 -66.45(9) 8_565 . . . ?
C1 B3 B8 B9 -4.46(12) 8_565 . . 8_565 ?
C1 B3 B8 B9 4.46(12) . . . . ?
C1 B4 B5 B6 37.01(9) . . . . ?
C1 B4 B5 B9 137.33(11) . . . . ?
C1 B4 B5 B10 99.26(11) . . . . ?
C1 B4 B8 B3 36.52(12) . . . . ?
C1 B4 B8 B4 0.3(2) . . . 8_565 ?
C1 B4 B8 B9 -98.67(12) . . . . ?
C1 B4 B8 B9 -63.19(14) . . . 8_565 ?
C1 B4 B9 B5 -36.56(10) . . . . ?
C1 B4 B9 B8 101.29(12) . . . . ?
C1 B4 B9 B9 64.93(9) . . . 8_565 ?
C1 B4 B9 B10 0.98(14) . . . . ?
C1 B5 B6 C1 42.70(10) . . . 8_565 ?
C1 B5 B6 B5 103.12(14) . . . 8_565 ?
C1 B5 B6 B10 138.24(14) . . . . ?
C1 B5 B9 B4 36.66(10) . . . . ?
C1 B5 B9 B8 -0.81(13) . . . . ?
C1 B5 B9 B9 -64.88(9) . . . 8_565 ?
C1 B5 B9 B10 -101.03(12) . . . . ?
C1 B5 B10 B5 -0.5(2) . . . 8_565 ?
C1 B5 B10 B6 -36.93(12) . . . . ?
C1 B5 B10 B9 63.38(14) . . . 8_565 ?
C1 B5 B10 B9 98.85(12) . . . . ?
C1 B6 B10 B5 -35.13(10) 8_565 . . 8_565 ?
C1 B6 B10 B5 35.12(10) . . . . ?
C1 B6 B10 B5 -105.66(12) . . . 8_565 ?
C1 B6 B10 B5 105.65(12) 8_565 . . . ?
C1 B6 B10 B9 4.07(12) 8_565 . . 8_565 ?
C1 B6 B10 B9 66.46(9) 8_565 . . . ?
C1 B6 B10 B9 -66.46(9) . . . 8_565 ?
C1 B6 B10 B9 -4.07(12) . . . . ?
N1 C1 B3 C1 -99.51(10) . . . 8_565 ?
N1 C1 B3 B4 123.75(12) . . . . ?
N1 C1 B3 B4 -137.42(12) . . . 8_565 ?
N1 C1 B3 B8 159.93(10) . . . . ?
N1 C1 B4 B3 -100.61(14) . . . . ?
N1 C1 B4 B5 121.60(15) . . . . ?
N1 C1 B4 B8 -137.30(14) . . . . ?
N1 C1 B4 B9 159.13(12) . . . . ?
N1 C1 B5 B4 -120.98(15) . . . . ?
N1 C1 B5 B6 101.23(15) . . . . ?
N1 C1 B5 B9 -158.50(13) . . . . ?
N1 C1 B5 B10 138.05(15) . . . . ?
N1 C1 B6 C1 99.16(10) . . . 8_565 ?
N1 C1 B6 B5 136.84(12) . . . 8_565 ?
N1 C1 B6 B5 -124.05(12) . . . . ?
N1 C1 B6 B10 -160.52(10) . . . . ?
N1 O2 C3 C4 -61.47(12) . . . . ?
N1 O2 C3 C8 58.55(12) . . . . ?
N1 C6 C7 C8 58.55(13) . . . . ?
B3 C1 N1 O2 168.75(9) . . . . ?
B3 C1 N1 C6 -59.39(14) . . . . ?
B3 C1 B4 B5 -137.78(11) . . . . ?
B3 C1 B4 B8 -36.68(12) . . . . ?
B3 C1 B4 B9 -100.25(12) . . . . ?
B3 C1 B5 B4 41.46(10) . . . . ?
B3 C1 B5 B6 -96.33(12) . . . . ?
B3 C1 B5 B9 3.93(14) . . . . ?
B3 C1 B5 B10 -59.52(15) . . . . ?
B3 C1 B6 C1 -27.17(11) . . . 8_565 ?
B3 C1 B6 B5 109.62(11) . . . . ?
B3 C1 B6 B5 10.51(14) . . . 8_565 ?
B3 C1 B6 B10 73.16(11) . . . . ?
B3 B4 B5 C1 -36.78(9) . . . . ?
B3 B4 B5 B6 0.23(13) . . . . ?
B3 B4 B5 B9 100.55(11) . . . . ?
B3 B4 B5 B10 62.47(13) . . . . ?
B3 B4 B8 B4 -36.20(15) . . . 8_565 ?
B3 B4 B8 B9 -99.71(13) . . . 8_565 ?
B3 B4 B8 B9 -135.19(13) . . . . ?
B3 B4 B9 B5 -98.48(12) . . . . ?
B3 B4 B9 B8 39.37(12) . . . . ?
B3 B4 B9 B9 3.01(12) . . . 8_565 ?
B3 B4 B9 B10 -60.94(14) . . . . ?
B3 B8 B9 B4 -40.04(9) . . . . ?
B3 B8 B9 B5 -2.33(13) . . . . ?
B3 B8 B9 B9 99.85(9) . . . 8_565 ?
B3 B8 B9 B10 60.54(12) . . . . ?
O2 N1 C6 C5 49.32(13) . . . . ?
O2 N1 C6 C7 -67.81(12) . . . . ?
O2 C3 C4 C5 58.38(14) . . . . ?
O2 C3 C8 C7 -64.41(13) . . . . ?
B4 C1 N1 O2 -116.06(13) . . . . ?
B4 C1 N1 C6 15.79(19) . . . . ?
B4 C1 B3 C1 136.74(9) . . . 8_565 ?
B4 C1 B3 B4 98.83(14) . . . 8_565 ?
B4 C1 B3 B8 36.18(9) . . . . ?
B4 C1 B5 B6 -137.79(11) . . . . ?
B4 C1 B5 B9 -37.53(10) . . . . ?
B4 C1 B5 B10 -100.97(13) . . . . ?
B4 C1 B6 C1 -95.28(10) . . . 8_565 ?
B4 C1 B6 B5 -57.60(13) . . . 8_565 ?
B4 C1 B6 B5 41.51(11) . . . . ?
B4 C1 B6 B10 5.05(13) . . . . ?
B4 B3 B4 C1 -103.59(14) 8_565 . . . ?
B4 B3 B4 B5 -67.46(16) 8_565 . . . ?
B4 B3 B4 B8 35.00(15) 8_565 . . . ?
B4 B3 B4 B9 -4.88(19) 8_565 . . . ?
B4 B3 B8 B4 140.84(17) . . . 8_565 ?
B4 B3 B8 B4 -140.84(17) 8_565 . . . ?
B4 B3 B8 B9 -39.43(10) 8_565 . . 8_565 ?
B4 B3 B8 B9 -101.41(13) 8_565 . . . ?
B4 B3 B8 B9 39.43(10) . . . . ?
B4 B3 B8 B9 101.41(13) . . . 8_565 ?
B4 B5 B6 C1 6.41(14) . . . 8_565 ?
B4 B5 B6 C1 -36.29(9) . . . . ?
B4 B5 B6 B5 66.82(16) . . . 8_565 ?
B4 B5 B6 B10 101.95(13) . . . . ?
B4 B5 B9 B8 -37.47(10) . . . . ?
B4 B5 B9 B9 -101.55(7) . . . 8_565 ?
B4 B5 B9 B10 -137.69(11) . . . . ?
B4 B5 B10 B5 -61.59(18) . . . 8_565 ?
B4 B5 B10 B6 -98.02(13) . . . . ?
B4 B5 B10 B9 2.28(14) . . . 8_565 ?
B4 B5 B10 B9 37.76(10) . . . . ?
B4 B8 B9 B4 -104.18(15) 8_565 . . . ?
B4 B8 B9 B5 -66.47(13) 8_565 . . . ?
B4 B8 B9 B5 37.71(10) . . . . ?
B4 B8 B9 B9 35.71(7) 8_565 . . 8_565 ?
B4 B8 B9 B9 139.89(9) . . . 8_565 ?
B4 B8 B9 B10 100.58(11) . . . . ?
B4 B8 B9 B10 -3.60(14) 8_565 . . . ?
B4 B9 B10 B5 -37.81(10) . . . . ?
B4 B9 B10 B5 66.56(13) . . . 8_565 ?
B4 B9 B10 B6 2.00(13) . . . . ?
B4 B9 B10 B9 102.28(9) . . . 8_565 ?
C3 C4 C5 C6 0.97(16) . . . . ?
B5 C1 N1 O2 -28.78(17) . . . . ?
B5 C1 N1 C6 103.07(16) . . . . ?
B5 C1 B3 C1 95.18(10) . . . 8_565 ?
B5 C1 B3 B4 -41.56(11) . . . . ?
B5 C1 B3 B4 57.27(13) . . . 8_565 ?
B5 C1 B3 B8 -5.38(13) . . . . ?
B5 C1 B4 B3 137.78(11) . . . . ?
B5 C1 B4 B8 101.10(13) . . . . ?
B5 C1 B4 B9 37.53(10) . . . . ?
B5 C1 B6 C1 -136.80(10) . . . 8_565 ?
B5 C1 B6 B5 -99.11(15) . . . 8_565 ?
B5 C1 B6 B10 -36.47(9) . . . . ?
B5 B4 B8 B3 97.49(13) . . . . ?
B5 B4 B8 B4 61.29(18) . . . 8_565 ?
B5 B4 B8 B9 -2.22(14) . . . 8_565 ?
B5 B4 B8 B9 -37.70(10) . . . . ?
B5 B4 B9 B8 137.85(12) . . . . ?
B5 B4 B9 B9 101.49(7) . . . 8_565 ?
B5 B4 B9 B10 37.53(10) . . . . ?
B5 B6 B10 B5 -140.78(17) . . . 8_565 ?
B5 B6 B10 B5 140.78(17) 8_565 . . . ?
B5 B6 B10 B9 -101.59(13) . . . 8_565 ?
B5 B6 B10 B9 101.59(13) 8_565 . . . ?
B5 B6 B10 B9 39.19(10) 8_565 . . 8_565 ?
B5 B6 B10 B9 -39.19(10) . . . . ?
B5 B9 B10 B5 104.37(15) . . . 8_565 ?
B5 B9 B10 B6 39.81(9) . . . . ?
B5 B9 B10 B9 140.09(9) . . . 8_565 ?
C4 C3 C8 C7 53.50(14) . . . . ?
C4 C5 C6 N1 -55.24(14) . . . . ?
C4 C5 C6 C7 58.63(15) . . . . ?
B6 C1 N1 O2 46.81(13) . . . . ?
B6 C1 N1 C6 178.67(10) . . . . ?
B6 C1 B3 C1 27.22(11) . . . 8_565 ?
B6 C1 B3 B4 -10.69(14) . . . 8_565 ?
B6 C1 B3 B4 -109.52(11) . . . . ?
B6 C1 B3 B8 -73.34(11) . . . . ?
B6 C1 B4 B3 96.44(11) . . . . ?
B6 C1 B4 B5 -41.35(10) . . . . ?
B6 C1 B4 B8 59.75(15) . . . . ?
B6 C1 B4 B9 -3.82(14) . . . . ?
B6 C1 B5 B4 137.79(11) . . . . ?
B6 C1 B5 B9 100.26(12) . . . . ?
B6 C1 B5 B10 36.82(12) . . . . ?
B6 B5 B9 B4 98.94(12) . . . . ?
B6 B5 B9 B8 61.47(14) . . . . ?
B6 B5 B9 B9 -2.60(11) . . . 8_565 ?
B6 B5 B9 B10 -38.75(12) . . . . ?
B6 B5 B10 B5 36.42(15) . . . 8_565 ?
B6 B5 B10 B9 135.78(13) . . . . ?
B6 B5 B10 B9 100.30(13) . . . 8_565 ?
C5 C6 C7 C8 -58.49(14) . . . . ?
B8 B3 B4 C1 -138.60(13) . . . . ?
B8 B3 B4 B5 -102.47(13) . . . . ?
B8 B3 B4 B9 -39.89(13) . . . . ?
B8 B4 B5 C1 -99.29(11) . . . . ?
B8 B4 B5 B6 -62.28(13) . . . . ?
B8 B4 B5 B9 38.04(10) . . . . ?
B8 B4 B5 B10 -0.03(14) . . . . ?
B8 B4 B9 B5 -137.85(12) . . . . ?
B8 B4 B9 B9 -36.36(8) . . . 8_565 ?
B8 B4 B9 B10 -100.32(12) . . . . ?
B8 B9 B10 B5 3.63(14) . . . 8_565 ?
B8 B9 B10 B5 -100.74(11) . . . . ?
B8 B9 B10 B6 -60.93(12) . . . . ?
B8 B9 B10 B9 39.35(12) . . . 8_565 ?
C6 N1 O2 C3 7.49(12) . . . . ?
C6 C7 C8 C3 3.80(14) . . . . ?
B9 B4 B5 C1 -137.33(11) . . . . ?
B9 B4 B5 B6 -100.32(11) . . . . ?
B9 B4 B5 B10 -38.08(10) . . . . ?
B9 B4 B8 B3 135.19(13) . . . . ?
B9 B4 B8 B4 98.99(16) . . . 8_565 ?
B9 B4 B8 B9 35.48(10) . . . 8_565 ?
B9 B5 B6 C1 -98.89(11) . . . . ?
B9 B5 B6 C1 -56.19(14) . . . 8_565 ?
B9 B5 B6 B5 4.22(19) . . . 8_565 ?
B9 B5 B6 B10 39.34(13) . . . . ?
B9 B5 B10 B5 -99.35(16) . . . 8_565 ?
B9 B5 B10 B6 -135.78(13) . . . . ?
B9 B5 B10 B9 -35.47(10) . . . 8_565 ?
B9 B8 B9 B4 -139.89(9) 8_565 . . . ?
B9 B8 B9 B5 -102.18(9) 8_565 . . . ?
B9 B8 B9 B10 -39.31(12) 8_565 . . . ?
B9 B9 B10 B5 -35.72(7) 8_565 . . 8_565 ?
B9 B9 B10 B5 -140.09(9) 8_565 . . . ?
B9 B9 B10 B6 -100.28(9) 8_565 . . . ?
B10 B5 B6 C1 -95.54(13) . . . 8_565 ?
B10 B5 B6 C1 -138.24(14) . . . . ?
B10 B5 B6 B5 -35.12(14) . . . 8_565 ?
B10 B5 B9 B4 137.69(11) . . . . ?
B10 B5 B9 B8 100.22(12) . . . . ?
B10 B5 B9 B9 36.15(8) . . . 8_565 ?
C8 C3 C4 C5 -58.98(14) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_5236
_database_code_depnum_ccdc_archive 'CCDC 1440369'
_audit_update_record             
;
2015-12-03 deposited with the CCDC.
2016-01-12 downloaded from the CCDC.
;
_audit_creation_date             2015-10-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C14 H26 B10 N2 O2'
_chemical_formula_sum            'C14 H26 B10 N2 O2'
_chemical_formula_weight         362.47
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_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'

_cell_length_a                   17.316(5)
_cell_length_b                   10.390(3)
_cell_length_c                   11.385(4)
_cell_angle_alpha                90
_cell_angle_beta                 110.266(19)
_cell_angle_gamma                90
_cell_volume                     1921.6(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3789
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      30.389
_cell_measurement_theta_min      2.327
_shelx_estimated_absorpt_T_max   0.989
_shelx_estimated_absorpt_T_min   0.971
_exptl_absorpt_coefficient_mu    0.072
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.6992
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0643 before and 0.0552 after correction.
The Ratio of minimum to maximum transmission is 0.9370.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             760
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0551
_diffrn_reflns_av_unetI/netI     0.0378
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            22471
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         30.936
_diffrn_reflns_theta_min         2.508
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2275
_reflns_number_total             3025
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.382
_refine_diff_density_min         -0.276
_refine_diff_density_rms         0.051
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     142
_refine_ls_number_reflns         3025
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0619
_refine_ls_R_factor_gt           0.0426
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0754P)²+0.1237P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1171
_refine_ls_wR_factor_ref         0.1290
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C3(H3), C6(H6A)
2.b Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C5(H5A,H5B)
2.c Aromatic/amide H refined with riding coordinates:
 C7(H7), C8(H8)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.44002(6) 0.62545(9) 0.21882(9) 0.0122(2) Uani 1 1 d . . . . .
N1 N 0.41044(5) 0.50005(8) 0.20660(8) 0.01372(19) Uani 1 1 d . . . . .
B4 B 0.40781(7) 0.75494(11) 0.12437(12) 0.0162(2) Uani 1 1 d . . . . .
H4 H 0.3515(8) 0.7446(11) 0.0451(13) 0.019 Uiso 1 1 d R . . . .
O2 O 0.37474(5) 0.47290(8) 0.30327(7) 0.01870(19) Uani 1 1 d . . . . .
B5 B 0.41061(7) 0.75247(11) 0.28328(12) 0.0158(2) Uani 1 1 d . . . . .
H5 H 0.3553(8) 0.7391(11) 0.3094(13) 0.019 Uiso 1 1 d R . . . .
C3 C 0.30315(6) 0.38717(10) 0.25158(10) 0.0168(2) Uani 1 1 d . . . . .
H3 H 0.2790 0.3665 0.3174 0.020 Uiso 1 1 calc R . . . .
B6 B 0.50251(7) 0.66347(11) 0.37280(11) 0.0136(2) Uani 1 1 d . . . . .
H6 H 0.5022(8) 0.5976(12) 0.4472(12) 0.016 Uiso 1 1 d R . . . .
C4 C 0.33403(7) 0.26369(10) 0.20823(11) 0.0188(2) Uani 1 1 d . . . . .
H4A H 0.2887 0.2003 0.1784 0.023 Uiso 1 1 calc R . . . .
H4B H 0.3790 0.2250 0.2787 0.023 Uiso 1 1 calc R . . . .
B9 B 0.44510(8) 0.89155(12) 0.22250(13) 0.0194(3) Uani 1 1 d . . . . .
H9 H 0.4073(8) 0.9834(13) 0.2057(13) 0.023 Uiso 1 1 d R . . . .
C5 C 0.36580(7) 0.29948(10) 0.10032(11) 0.0185(2) Uani 1 1 d . . . . .
H5A H 0.4239 0.2723 0.1218 0.022 Uiso 1 1 calc R . . . .
H5B H 0.3324 0.2553 0.0222 0.022 Uiso 1 1 calc R . . . .
B10 B 0.50181(7) 0.83469(12) 0.37870(12) 0.0177(2) Uani 1 1 d . . . . .
H10 H 0.5018(8) 0.8847(12) 0.4659(12) 0.021 Uiso 1 1 d R . . . .
C6 C 0.35867(6) 0.44636(10) 0.08199(10) 0.0147(2) Uani 1 1 d . . . . .
H6A H 0.3795 0.4746 0.0145 0.018 Uiso 1 1 calc R . . . .
C7 C 0.27010(6) 0.48750(10) 0.05358(10) 0.0177(2) Uani 1 1 d . . . . .
H7 H 0.2387 0.5317 -0.0207 0.021 Uiso 1 1 calc R . . . .
C8 C 0.24057(6) 0.45537(10) 0.14348(11) 0.0187(2) Uani 1 1 d . . . . .
H8 H 0.1860 0.4736 0.1397 0.022 Uiso 1 1 calc R . . . .


_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
C1 C1 1.9485(19) 2_655 ?
C1 N1 1.3892(13) . ?
C1 B4 1.6918(16) . ?
C1 B5 1.6731(15) . ?
C1 B6 1.7568(16) . ?
C1 B6 1.7186(15) 2_655 ?
N1 O2 1.4645(11) . ?
N1 C6 1.4988(13) . ?
B4 H4 1.081(14) . ?
B4 B5 1.7932(19) . ?
B4 B6 1.8114(16) 2_655 ?
B4 B9 1.7832(18) . ?
B4 B10 1.7818(17) 2_655 ?
O2 C3 1.4734(12) . ?
B5 H5 1.106(12) . ?
B5 B6 1.8174(17) . ?
B5 B9 1.7916(18) . ?
B5 B10 1.7932(18) . ?
C3 H3 1.0000 . ?
C3 C4 1.5357(15) . ?
C3 C8 1.5058(16) . ?
B6 C1 1.7186(15) 2_655 ?
B6 B4 1.8114(16) 2_655 ?
B6 H6 1.090(13) . ?
B6 B10 1.7805(18) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C5 1.5551(16) . ?
B9 B9 1.784(3) 2_655 ?
B9 H9 1.135(13) . ?
B9 B10 1.8042(19) 2_655 ?
B9 B10 1.8072(19) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C6 1.5395(15) . ?
B10 B4 1.7818(17) 2_655 ?
B10 B9 1.8042(19) 2_655 ?
B10 H10 1.120(13) . ?
C6 H6A 1.0000 . ?
C6 C7 1.5152(15) . ?
C7 H7 0.9500 . ?
C7 C8 1.3354(16) . ?
C8 H8 0.9500 . ?

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
N1 C1 C1 110.24(5) . 2_655 ?
N1 C1 B4 130.79(9) . . ?
N1 C1 B5 128.76(9) . . ?
N1 C1 B6 112.90(8) . . ?
N1 C1 B6 115.20(8) . 2_655 ?
B4 C1 C1 107.86(6) . 2_655 ?
B4 C1 B6 114.14(8) . . ?
B4 C1 B6 64.16(7) . 2_655 ?
B5 C1 C1 106.75(6) . 2_655 ?
B5 C1 B4 64.40(7) . . ?
B5 C1 B6 63.94(7) . . ?
B5 C1 B6 114.40(8) . 2_655 ?
B6 C1 C1 56.84(6) 2_655 2_655 ?
B6 C1 C1 54.97(6) . 2_655 ?
B6 C1 B6 105.55(8) 2_655 . ?
C1 N1 O2 110.02(8) . . ?
C1 N1 C6 121.52(8) . . ?
O2 N1 C6 111.71(7) . . ?
C1 B4 H4 117.1(7) . . ?
C1 B4 B5 57.29(6) . . ?
C1 B4 B6 58.64(6) . 2_655 ?
C1 B4 B9 105.47(9) . . ?
C1 B4 B10 106.49(8) . 2_655 ?
B5 B4 H4 122.9(7) . . ?
B5 B4 B6 104.55(8) . 2_655 ?
B6 B4 H4 118.8(7) 2_655 . ?
B9 B4 H4 129.0(6) . . ?
B9 B4 B5 60.13(7) . . ?
B9 B4 B6 106.52(8) . 2_655 ?
B10 B4 H4 125.1(7) 2_655 . ?
B10 B4 B5 108.03(9) 2_655 . ?
B10 B4 B6 59.40(7) 2_655 2_655 ?
B10 B4 B9 60.81(7) 2_655 . ?
N1 O2 C3 109.39(7) . . ?
C1 B5 B4 58.31(6) . . ?
C1 B5 H5 116.3(6) . . ?
C1 B5 B6 60.27(6) . . ?
C1 B5 B9 105.90(9) . . ?
C1 B5 B10 107.67(8) . . ?
B4 B5 H5 123.4(7) . . ?
B4 B5 B6 106.59(8) . . ?
B6 B5 H5 117.2(7) . . ?
B9 B5 B4 59.66(7) . . ?
B9 B5 H5 129.8(6) . . ?
B9 B5 B6 106.42(8) . . ?
B9 B5 B10 60.55(7) . . ?
B10 B5 B4 108.35(8) . . ?
B10 B5 H5 124.0(7) . . ?
B10 B5 B6 59.09(7) . . ?
O2 C3 H3 110.1 . . ?
O2 C3 C4 107.16(8) . . ?
O2 C3 C8 108.04(8) . . ?
C4 C3 H3 110.1 . . ?
C8 C3 H3 110.1 . . ?
C8 C3 C4 111.26(9) . . ?
C1 B6 C1 68.19(7) 2_655 . ?
C1 B6 B4 57.20(6) 2_655 2_655 ?
C1 B6 B4 111.32(8) . 2_655 ?
C1 B6 B5 55.79(6) . . ?
C1 B6 B5 110.81(8) 2_655 . ?
C1 B6 H6 117.8(6) . . ?
C1 B6 H6 119.1(7) 2_655 . ?
C1 B6 B10 104.62(8) . . ?
C1 B6 B10 105.40(8) 2_655 . ?
B4 B6 B5 108.77(8) 2_655 . ?
B4 B6 H6 123.4(7) 2_655 . ?
B5 B6 H6 121.1(7) . . ?
B10 B6 B4 59.47(7) . 2_655 ?
B10 B6 B5 59.78(7) . . ?
B10 B6 H6 126.6(7) . . ?
C3 C4 H4A 110.1 . . ?
C3 C4 H4B 110.1 . . ?
C3 C4 C5 108.17(9) . . ?
H4A C4 H4B 108.4 . . ?
C5 C4 H4A 110.1 . . ?
C5 C4 H4B 110.1 . . ?
B4 B9 B5 60.21(7) . . ?
B4 B9 B9 109.30(8) . 2_655 ?
B4 B9 H9 120.1(7) . . ?
B4 B9 B10 59.56(7) . 2_655 ?
B4 B9 B10 108.17(9) . . ?
B5 B9 H9 119.6(7) . . ?
B5 B9 B10 59.77(7) . . ?
B5 B9 B10 107.12(8) . 2_655 ?
B9 B9 B5 108.77(8) 2_655 . ?
B9 B9 H9 122.7(7) 2_655 . ?
B9 B9 B10 60.48(8) 2_655 2_655 ?
B9 B9 B10 60.32(8) 2_655 . ?
B10 B9 H9 121.7(7) . . ?
B10 B9 H9 124.0(7) 2_655 . ?
B10 B9 B10 107.34(9) 2_655 . ?
C4 C5 H5A 110.1 . . ?
C4 C5 H5B 110.1 . . ?
H5A C5 H5B 108.4 . . ?
C6 C5 C4 108.09(8) . . ?
C6 C5 H5A 110.1 . . ?
C6 C5 H5B 110.1 . . ?
B4 B10 B5 111.21(9) 2_655 . ?
B4 B10 B9 59.64(7) 2_655 2_655 ?
B4 B10 B9 108.32(9) 2_655 . ?
B4 B10 H10 120.1(7) 2_655 . ?
B5 B10 B9 59.68(7) . . ?
B5 B10 B9 107.80(9) . 2_655 ?
B5 B10 H10 119.2(7) . . ?
B6 B10 B4 61.13(6) . 2_655 ?
B6 B10 B5 61.13(6) . . ?
B6 B10 B9 107.34(8) . . ?
B6 B10 B9 106.95(8) . 2_655 ?
B6 B10 H10 119.9(6) . . ?
B9 B10 B9 59.20(8) 2_655 . ?
B9 B10 H10 124.8(7) 2_655 . ?
B9 B10 H10 123.6(6) . . ?
N1 C6 C5 104.30(8) . . ?
N1 C6 H6A 111.2 . . ?
N1 C6 C7 109.05(8) . . ?
C5 C6 H6A 111.2 . . ?
C7 C6 C5 109.65(8) . . ?
C7 C6 H6A 111.2 . . ?
C6 C7 H7 123.4 . . ?
C8 C7 C6 113.19(10) . . ?
C8 C7 H7 123.4 . . ?
C3 C8 H8 123.7 . . ?
C7 C8 C3 112.70(9) . . ?
C7 C8 H8 123.7 . . ?

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
C1 C1 N1 O2 108.65(9) 2_655 . . . ?
C1 C1 N1 C6 -118.09(10) 2_655 . . . ?
C1 C1 B4 B5 -100.45(8) 2_655 . . . ?
C1 C1 B4 B6 37.37(7) 2_655 . . 2_655 ?
C1 C1 B4 B9 -62.82(10) 2_655 . . . ?
C1 C1 B4 B10 0.71(11) 2_655 . . 2_655 ?
C1 C1 B5 B4 102.18(8) 2_655 . . . ?
C1 C1 B5 B6 -35.47(7) 2_655 . . . ?
C1 C1 B5 B9 64.66(10) 2_655 . . . ?
C1 C1 B5 B10 1.14(11) 2_655 . . . ?
C1 C1 B6 B4 38.52(6) 2_655 . . 2_655 ?
C1 C1 B6 B5 137.28(7) 2_655 . . . ?
C1 C1 B6 B10 101.02(7) 2_655 . . . ?
C1 N1 O2 C3 144.70(8) . . . . ?
C1 N1 C6 C5 160.27(8) . . . . ?
C1 N1 C6 C7 -82.66(11) . . . . ?
C1 B4 B5 B6 37.62(7) . . . . ?
C1 B4 B5 B9 137.26(9) . . . . ?
C1 B4 B5 B10 99.85(9) . . . . ?
C1 B4 B9 B5 -36.34(7) . . . . ?
C1 B4 B9 B9 64.76(12) . . . 2_655 ?
C1 B4 B9 B10 100.53(9) . . . 2_655 ?
C1 B4 B9 B10 0.69(11) . . . . ?
C1 B5 B6 C1 42.37(7) . . . 2_655 ?
C1 B5 B6 B4 103.49(9) . . . 2_655 ?
C1 B5 B6 B10 138.53(8) . . . . ?
C1 B5 B9 B4 36.90(8) . . . . ?
C1 B5 B9 B9 -65.08(12) . . . 2_655 ?
C1 B5 B9 B10 -1.18(11) . . . 2_655 ?
C1 B5 B9 B10 -101.63(9) . . . . ?
C1 B5 B10 B4 -0.77(12) . . . 2_655 ?
C1 B5 B10 B6 -37.13(8) . . . . ?
C1 B5 B10 B9 98.64(9) . . . . ?
C1 B5 B10 B9 62.81(10) . . . 2_655 ?
C1 B6 B10 B4 -106.40(9) . . . 2_655 ?
C1 B6 B10 B4 -35.45(8) 2_655 . . 2_655 ?
C1 B6 B10 B5 105.42(9) 2_655 . . . ?
C1 B6 B10 B5 34.47(7) . . . . ?
C1 B6 B10 B9 -4.64(10) . . . . ?
C1 B6 B10 B9 4.07(10) 2_655 . . 2_655 ?
C1 B6 B10 B9 -66.89(10) . . . 2_655 ?
C1 B6 B10 B9 66.31(10) 2_655 . . . ?
N1 C1 B4 B5 120.24(12) . . . . ?
N1 C1 B4 B6 -101.94(12) . . . 2_655 ?
N1 C1 B4 B9 157.87(10) . . . . ?
N1 C1 B4 B10 -138.61(10) . . . 2_655 ?
N1 C1 B5 B4 -122.98(11) . . . . ?
N1 C1 B5 B6 99.37(11) . . . . ?
N1 C1 B5 B9 -160.50(9) . . . . ?
N1 C1 B5 B10 135.98(10) . . . . ?
N1 C1 B6 C1 99.36(7) . . . 2_655 ?
N1 C1 B6 B4 137.88(8) . . . 2_655 ?
N1 C1 B6 B5 -123.37(9) . . . . ?
N1 C1 B6 B10 -159.62(8) . . . . ?
N1 O2 C3 C4 59.07(10) . . . . ?
N1 O2 C3 C8 -60.91(10) . . . . ?
N1 C6 C7 C8 -54.97(12) . . . . ?
B4 C1 N1 O2 -112.75(11) . . . . ?
B4 C1 N1 C6 20.51(15) . . . . ?
B4 C1 B5 B6 -137.65(8) . . . . ?
B4 C1 B5 B9 -37.52(8) . . . . ?
B4 C1 B5 B10 -101.04(9) . . . . ?
B4 C1 B6 C1 -95.54(8) . . . 2_655 ?
B4 C1 B6 B4 -57.02(11) . . . 2_655 ?
B4 C1 B6 B5 41.74(8) . . . . ?
B4 C1 B6 B10 5.48(10) . . . . ?
B4 B5 B6 C1 -36.73(7) . . . . ?
B4 B5 B6 C1 5.63(10) . . . 2_655 ?
B4 B5 B6 B4 66.76(9) . . . 2_655 ?
B4 B5 B6 B10 101.79(9) . . . . ?
B4 B5 B9 B9 -101.99(11) . . . 2_655 ?
B4 B5 B9 B10 -38.08(8) . . . 2_655 ?
B4 B5 B9 B10 -138.53(8) . . . . ?
B4 B5 B10 B4 -62.39(10) . . . 2_655 ?
B4 B5 B10 B6 -98.75(8) . . . . ?
B4 B5 B10 B9 37.02(8) . . . . ?
B4 B5 B10 B9 1.19(11) . . . 2_655 ?
B4 B6 B10 B5 140.87(9) 2_655 . . . ?
B4 B6 B10 B9 101.76(9) 2_655 . . . ?
B4 B6 B10 B9 39.52(8) 2_655 . . 2_655 ?
B4 B9 B10 B4 67.13(11) . . . 2_655 ?
B4 B9 B10 B5 -37.22(8) . . . . ?
B4 B9 B10 B6 2.57(11) . . . . ?
B4 B9 B10 B9 102.32(9) . . . 2_655 ?
O2 N1 C6 C5 -67.17(9) . . . . ?
O2 N1 C6 C7 49.91(11) . . . . ?
O2 C3 C4 C5 -63.86(10) . . . . ?
O2 C3 C8 C7 58.60(12) . . . . ?
B5 C1 N1 O2 -24.99(13) . . . . ?
B5 C1 N1 C6 108.27(12) . . . . ?
B5 C1 B4 B6 137.82(8) . . . 2_655 ?
B5 C1 B4 B9 37.63(8) . . . . ?
B5 C1 B4 B10 101.16(9) . . . 2_655 ?
B5 C1 B6 C1 -137.28(7) . . . 2_655 ?
B5 C1 B6 B4 -98.76(9) . . . 2_655 ?
B5 C1 B6 B10 -36.26(7) . . . . ?
B5 B4 B9 B9 101.09(10) . . . 2_655 ?
B5 B4 B9 B10 37.03(8) . . . . ?
B5 B4 B9 B10 136.87(9) . . . 2_655 ?
B5 B6 B10 B4 -140.87(9) . . . 2_655 ?
B5 B6 B10 B9 -39.11(8) . . . . ?
B5 B6 B10 B9 -101.36(10) . . . 2_655 ?
B5 B9 B10 B4 104.35(9) . . . 2_655 ?
B5 B9 B10 B6 39.79(8) . . . . ?
B5 B9 B10 B9 139.54(8) . . . 2_655 ?
C3 C4 C5 C6 2.95(11) . . . . ?
B6 C1 N1 O2 170.56(7) 2_655 . . . ?
B6 C1 N1 O2 49.20(10) . . . . ?
B6 C1 N1 C6 -177.54(8) . . . . ?
B6 C1 N1 C6 -56.18(12) 2_655 . . . ?
B6 C1 B4 B5 -41.54(8) . . . . ?
B6 C1 B4 B5 -137.82(8) 2_655 . . . ?
B6 C1 B4 B6 96.28(8) . . . 2_655 ?
B6 C1 B4 B9 -100.19(9) 2_655 . . . ?
B6 C1 B4 B9 -3.91(10) . . . . ?
B6 C1 B4 B10 59.62(10) . . . 2_655 ?
B6 C1 B4 B10 -36.67(8) 2_655 . . 2_655 ?
B6 C1 B5 B4 137.65(8) . . . . ?
B6 C1 B5 B4 41.57(8) 2_655 . . . ?
B6 C1 B5 B6 -96.07(9) 2_655 . . . ?
B6 C1 B5 B9 4.05(11) 2_655 . . . ?
B6 C1 B5 B9 100.13(9) . . . . ?
B6 C1 B5 B10 -59.47(11) 2_655 . . . ?
B6 C1 B5 B10 36.61(8) . . . . ?
B6 C1 B6 C1 -27.32(10) 2_655 . . 2_655 ?
B6 C1 B6 B4 11.20(11) 2_655 . . 2_655 ?
B6 C1 B6 B5 109.96(8) 2_655 . . . ?
B6 C1 B6 B10 73.70(8) 2_655 . . . ?
B6 B4 B5 C1 -36.32(7) 2_655 . . . ?
B6 B4 B5 B6 1.30(9) 2_655 . . . ?
B6 B4 B5 B9 100.93(9) 2_655 . . . ?
B6 B4 B5 B10 63.53(10) 2_655 . . . ?
B6 B4 B9 B5 -97.57(9) 2_655 . . . ?
B6 B4 B9 B9 3.52(13) 2_655 . . 2_655 ?
B6 B4 B9 B10 39.29(8) 2_655 . . 2_655 ?
B6 B4 B9 B10 -60.55(10) 2_655 . . . ?
B6 B5 B9 B4 99.93(9) . . . . ?
B6 B5 B9 B9 -2.06(13) . . . 2_655 ?
B6 B5 B9 B10 -38.60(8) . . . . ?
B6 B5 B9 B10 61.85(11) . . . 2_655 ?
B6 B5 B10 B4 36.35(8) . . . 2_655 ?
B6 B5 B10 B9 135.77(9) . . . . ?
B6 B5 B10 B9 99.94(9) . . . 2_655 ?
C4 C3 C8 C7 -58.77(12) . . . . ?
C4 C5 C6 N1 58.87(10) . . . . ?
C4 C5 C6 C7 -57.79(11) . . . . ?
B9 B4 B5 C1 -137.26(9) . . . . ?
B9 B4 B5 B6 -99.64(9) . . . . ?
B9 B4 B5 B10 -37.41(8) . . . . ?
B9 B5 B6 C1 -56.87(10) . . . 2_655 ?
B9 B5 B6 C1 -99.24(9) . . . . ?
B9 B5 B6 B4 4.25(11) . . . 2_655 ?
B9 B5 B6 B10 39.29(8) . . . . ?
B9 B5 B10 B4 -99.42(10) . . . 2_655 ?
B9 B5 B10 B6 -135.77(9) . . . . ?
B9 B5 B10 B9 -35.83(8) . . . 2_655 ?
B9 B9 B10 B4 -35.19(6) 2_655 . . 2_655 ?
B9 B9 B10 B5 -139.54(8) 2_655 . . . ?
B9 B9 B10 B6 -99.75(8) 2_655 . . . ?
C5 C6 C7 C8 58.66(12) . . . . ?
B10 B4 B5 C1 -98.38(8) 2_655 . . . ?
B10 B4 B5 B6 -60.76(10) 2_655 . . . ?
B10 B4 B5 B9 38.88(8) 2_655 . . . ?
B10 B4 B5 B10 1.47(10) 2_655 . . . ?
B10 B4 B9 B5 -136.87(9) 2_655 . . . ?
B10 B4 B9 B9 -35.78(10) 2_655 . . 2_655 ?
B10 B4 B9 B10 -99.84(9) 2_655 . . . ?
B10 B5 B6 C1 -138.53(8) . . . . ?
B10 B5 B6 C1 -96.16(9) . . . 2_655 ?
B10 B5 B6 B4 -35.04(8) . . . 2_655 ?
B10 B5 B9 B4 138.53(8) . . . . ?
B10 B5 B9 B9 36.54(10) . . . 2_655 ?
B10 B5 B9 B10 100.45(9) . . . 2_655 ?
B10 B9 B10 B4 4.27(12) 2_655 . . 2_655 ?
B10 B9 B10 B5 -100.08(8) 2_655 . . . ?
B10 B9 B10 B6 -60.29(9) 2_655 . . . ?
B10 B9 B10 B9 39.46(10) 2_655 . . 2_655 ?
C6 N1 O2 C3 6.64(11) . . . . ?
C6 C7 C8 C3 0.55(13) . . . . ?
C8 C3 C4 C5 54.04(11) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_5223
_database_code_depnum_ccdc_archive 'CCDC 1440370'
_audit_update_record             
;
2015-12-03 deposited with the CCDC.
2016-01-12 downloaded from the CCDC.
;
_audit_creation_date             2015-10-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 H36 B20 N2 O2'
_chemical_formula_sum            'C16 H36 B20 N2 O2'
_chemical_formula_weight         504.67
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.1193(7)
_cell_length_b                   10.6700(7)
_cell_length_c                   12.4753(8)
_cell_angle_alpha                90
_cell_angle_beta                 99.648(3)
_cell_angle_gamma                90
_cell_volume                     1327.94(15)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5528
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      27.006
_cell_measurement_theta_min      2.404
_shelx_estimated_absorpt_T_max   0.988
_shelx_estimated_absorpt_T_min   0.965
_exptl_absorpt_coefficient_mu    0.067
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6401
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0780 before and 0.0662 after correction.
The Ratio of minimum to maximum transmission is 0.8586.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.262
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             524
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0503
_diffrn_reflns_av_unetI/netI     0.0395
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            19862
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.162
_diffrn_reflns_theta_min         2.404
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2254
_reflns_number_total             2902
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.482
_refine_diff_density_min         -0.478
_refine_diff_density_rms         0.049
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     257
_refine_ls_number_reflns         2902
_refine_ls_number_restraints     31
_refine_ls_R_factor_all          0.0763
_refine_ls_R_factor_gt           0.0570
_refine_ls_restrained_S_all      1.251
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0547P)²+1.1822P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1325
_refine_ls_wR_factor_ref         0.1442
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
2. Restrained distances
 O2B-C3B = O1-C3
 1.45 with sigma of 0.02
 C7-C8 \\sim C7B-C4
 with sigma of 0.02
 C3B-C4 \\sim C7B-C6B \\sim C5B-C6B \\sim C3-C8 \\sim C3-C4 \\sim C4-C5 \\sim
C7-C6 \\sim C5-C6
 with sigma of 0.02
3. Others
 Sof(H4AA)=Sof(H4AB)=Sof(H7A)=Sof(O2B)=Sof(C3B)=Sof(H3B)=Sof(C5B)=Sof(H5BA)=
 Sof(C6B)=Sof(H6B)=Sof(C7B)=Sof(H7BA)=Sof(H7BB)=1-FVAR(1)
 Sof(O1)=Sof(C3)=Sof(H3A)=Sof(H4BC)=Sof(H4BD)=Sof(C5)=Sof(H5A)=Sof(H5B)=
 Sof(C6)=Sof(H6A)=Sof(H7B)=Sof(C8)=Sof(H8A)=FVAR(1)
4.a Ternary CH refined with riding coordinates:
 C3(H3A), C6(H6A), C3B(H3B), C6B(H6B)
4.b Secondary CH2 refined with riding coordinates:
 C4(H4AA,H4AB), C4(H4BC,H4BD), C5(H5A,H5B), C7B(H7BA,H7BB)
4.c Aromatic/amide H refined with riding coordinates:
 C7(H7A), C7(H7B), C8(H8A), C5B(H5BA)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.05771(17) 0.04007(16) 0.97335(14) 0.0183(4) Uani 1 1 d . . . . .
N1 N 0.11797(16) 0.22359(14) 0.91189(12) 0.0227(4) Uani 1 1 d . . . . .
O1 O 0.1623(3) 0.3146(2) 0.9929(2) 0.0233(6) Uani 0.751(4) 1 d D . P A -1
C2 C -0.01683(18) 0.19649(16) 0.90560(14) 0.0197(4) Uani 1 1 d . . . . .
B3 B -0.0759(2) 0.06080(19) 0.83475(17) 0.0207(4) Uani 1 1 d . . . . .
H3 H -0.011(2) 0.0120(19) 0.7898(16) 0.025 Uiso 1 1 d R . . . .
C3 C 0.2480(3) 0.4088(2) 0.9538(2) 0.0248(7) Uani 0.751(4) 1 d D . P A -1
H3A H 0.2777 0.4737 1.0106 0.030 Uiso 0.751(4) 1 calc R . P A -1
B4 B -0.1986(2) -0.01780(19) 0.89956(17) 0.0220(4) Uani 1 1 d . . . . .
H4 H -0.209(2) -0.117(2) 0.8928(16) 0.026 Uiso 1 1 d R . . . .
C4 C 0.3698(2) 0.3387(2) 0.9206(3) 0.0520(7) Uani 1 1 d D . . . .
H4AA H 0.4305 0.2659 0.9375 0.062 Uiso 0.249(4) 1 calc R . P A -2
H4AB H 0.4246 0.4135 0.9114 0.062 Uiso 0.249(4) 1 calc R . P A -2
H4BC H 0.4291 0.3998 0.8924 0.062 Uiso 0.751(4) 1 calc R . P A -1
H4BD H 0.4220 0.2977 0.9854 0.062 Uiso 0.751(4) 1 calc R . P A -1
B5 B -0.1989(2) 0.06287(19) 1.02469(17) 0.0211(4) Uani 1 1 d . . . . .
H5 H -0.205(2) 0.0178(19) 1.0989(16) 0.025 Uiso 1 1 d R . . . .
C5 C 0.3262(3) 0.2447(3) 0.8378(2) 0.0276(7) Uani 0.751(4) 1 d D . P A -1
H5A H 0.3537 0.1603 0.8659 0.033 Uiso 0.751(4) 1 calc R . P A -1
H5B H 0.3677 0.2609 0.7727 0.033 Uiso 0.751(4) 1 calc R . P A -1
B6 B -0.0771(2) 0.18584(18) 1.02838(17) 0.0203(4) Uani 1 1 d . . . . .
H6 H -0.013(2) 0.2139(19) 1.1036(16) 0.024 Uiso 1 1 d R . . . .
C6 C 0.1728(5) 0.2517(4) 0.8079(4) 0.0244(10) Uani 0.751(4) 1 d D . P A -1
H6A H 0.1373 0.1919 0.7483 0.029 Uiso 0.751(4) 1 calc R . P A -1
B7 B -0.1384(2) 0.21566(19) 0.79706(17) 0.0223(4) Uani 1 1 d . . . . .
H7 H -0.107(2) 0.257(2) 0.7296(16) 0.027 Uiso 1 1 d R . . . .
C7 C 0.1374(2) 0.3908(2) 0.77508(19) 0.0430(6) Uani 1 1 d D . . . .
H7A H 0.0846 0.4019 0.7052 0.052 Uiso 0.249(4) 1 calc R . P A -2
H7B H 0.0931 0.4145 0.7048 0.052 Uiso 0.751(4) 1 calc R . P A -1
B8 B -0.2509(2) 0.0888(2) 0.79148(18) 0.0249(5) Uani 1 1 d . . . . .
H8 H -0.303(2) 0.054(2) 0.7128(17) 0.030 Uiso 1 1 d R . . . .
C8 C 0.1727(4) 0.4677(3) 0.8499(3) 0.0284(7) Uani 0.751(4) 1 d D . P A -1
H8A H 0.1544 0.5549 0.8427 0.034 Uiso 0.751(4) 1 calc R . P A -1
B9 B -0.3266(2) 0.0926(2) 0.91157(19) 0.0265(5) Uani 1 1 d . . . . .
H9 H -0.429(2) 0.061(2) 0.9131(17) 0.032 Uiso 1 1 d R . . . .
B10 B -0.2517(2) 0.2197(2) 0.99343(18) 0.0244(5) Uani 1 1 d . . . . .
H10 H -0.308(2) 0.272(2) 1.0479(17) 0.029 Uiso 1 1 d R . . . .
B11 B -0.1381(2) 0.29677(19) 0.92296(17) 0.0228(4) Uani 1 1 d . . . . .
H11 H -0.105(2) 0.392(2) 0.9354(16) 0.027 Uiso 1 1 d R . . . .
B12 B -0.2900(2) 0.2347(2) 0.84940(18) 0.0262(5) Uani 1 1 d . . . . .
H12 H -0.370(2) 0.296(2) 0.8104(17) 0.031 Uiso 1 1 d R . . . .
O2B O 0.1634(12) 0.2039(8) 0.8168(10) 0.032(2) Uani 0.249(4) 1 d D . P A -2
C3B C 0.2513(9) 0.3097(9) 0.7984(7) 0.036(3) Uani 0.249(4) 1 d D . P A -2
H3B H 0.2961 0.2963 0.7337 0.043 Uiso 0.249(4) 1 calc R . P A -2
C5B C 0.1150(11) 0.4512(8) 0.8699(7) 0.025(2) Uani 0.249(4) 1 d D . P A -2
H5BA H 0.0816 0.5338 0.8751 0.030 Uiso 0.249(4) 1 calc R . P A -2
C6B C 0.1548(11) 0.3582(10) 0.9643(10) 0.026(3) Uani 0.249(4) 1 d D . P A -2
H6B H 0.1121 0.3763 1.0294 0.031 Uiso 0.249(4) 1 calc R . P A -2
C7B C 0.3091(8) 0.3545(9) 0.9892(7) 0.031(2) Uani 0.249(4) 1 d D . P A -2
H7BA H 0.3394 0.4349 1.0246 0.037 Uiso 0.249(4) 1 calc R . P A -2
H7BB H 0.3347 0.2878 1.0438 0.037 Uiso 0.249(4) 1 calc R . P A -2


_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
C1 C1 1.509(3) 3_557 ?
C1 C2 1.946(2) . ?
C1 B3 1.722(3) . ?
C1 B4 1.680(3) . ?
C1 B5 1.679(3) . ?
C1 B6 1.724(3) . ?
N1 O1 1.419(3) . ?
N1 C2 1.384(2) . ?
N1 C6 1.523(6) . ?
N1 O2B 1.359(12) . ?
N1 C6B 1.596(12) . ?
O1 C3 1.463(3) . ?
C2 B3 1.749(3) . ?
C2 B6 1.745(3) . ?
C2 B7 1.682(3) . ?
C2 B11 1.670(3) . ?
B3 H3 1.07(2) . ?
B3 B4 1.799(3) . ?
B3 B7 1.803(3) . ?
B3 B8 1.788(3) . ?
C3 H3A 1.0000 . ?
C3 C4 1.557(4) . ?
C3 C8 1.525(4) . ?
B4 H4 1.07(2) . ?
B4 B5 1.783(3) . ?
B4 B8 1.775(3) . ?
B4 B9 1.776(3) . ?
C4 H4AA 0.9900 . ?
C4 H4AB 0.9900 . ?
C4 H4BC 0.9900 . ?
C4 H4BD 0.9900 . ?
C4 C5 1.453(4) . ?
C4 C3B 1.801(9) . ?
C4 C7B 1.147(8) . ?
B5 H5 1.05(2) . ?
B5 B6 1.796(3) . ?
B5 B9 1.775(3) . ?
B5 B10 1.780(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C6 1.536(6) . ?
B6 H6 1.09(2) . ?
B6 B10 1.785(3) . ?
B6 B11 1.800(3) . ?
C6 H6A 1.0000 . ?
C6 C7 1.565(4) . ?
B7 H7 1.04(2) . ?
B7 B8 1.763(3) . ?
B7 B11 1.793(3) . ?
B7 B12 1.777(3) . ?
C7 H7A 0.9500 . ?
C7 H7B 0.9500 . ?
C7 C8 1.250(4) . ?
C7 C3B 1.432(10) . ?
C7 C5B 1.398(10) . ?
B8 H8 1.10(2) . ?
B8 B9 1.794(3) . ?
B8 B12 1.788(3) . ?
C8 H8A 0.9500 . ?
B9 H9 1.09(2) . ?
B9 B10 1.788(3) . ?
B9 B12 1.769(3) . ?
B10 H10 1.11(2) . ?
B10 B11 1.763(3) . ?
B10 B12 1.781(3) . ?
B11 H11 1.07(2) . ?
B11 B12 1.781(3) . ?
B12 H12 1.08(2) . ?
O2B C3B 1.480(10) . ?
C3B H3B 1.0000 . ?
C5B H5BA 0.9500 . ?
C5B C6B 1.542(11) . ?
C6B H6B 1.0000 . ?
C6B C7B 1.540(11) . ?
C7B H7BA 0.9900 . ?
C7B H7BB 0.9900 . ?

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
C1 C1 C2 118.17(17) 3_557 . ?
C1 C1 B3 117.36(18) 3_557 . ?
C1 C1 B4 123.81(18) 3_557 . ?
C1 C1 B5 124.02(19) 3_557 . ?
C1 C1 B6 117.83(17) 3_557 . ?
B3 C1 C2 56.54(10) . . ?
B3 C1 B6 106.49(13) . . ?
B4 C1 C2 107.45(12) . . ?
B4 C1 B3 63.85(12) . . ?
B4 C1 B6 114.02(14) . . ?
B5 C1 C2 107.33(12) . . ?
B5 C1 B3 114.21(14) . . ?
B5 C1 B4 64.13(12) . . ?
B5 C1 B6 63.68(11) . . ?
B6 C1 C2 56.36(10) . . ?
O1 N1 C6 110.8(2) . . ?
C2 N1 O1 111.98(17) . . ?
C2 N1 C6 119.3(2) . . ?
C2 N1 C6B 111.8(4) . . ?
O2B N1 C2 113.1(5) . . ?
O2B N1 C6B 114.0(6) . . ?
N1 O1 C3 111.6(2) . . ?
N1 C2 C1 115.71(13) . . ?
N1 C2 B3 116.85(14) . . ?
N1 C2 B6 116.74(15) . . ?
N1 C2 B7 126.94(16) . . ?
N1 C2 B11 126.72(15) . . ?
B3 C2 C1 55.25(10) . . ?
B6 C2 C1 55.38(9) . . ?
B6 C2 B3 104.47(13) . . ?
B7 C2 C1 105.90(13) . . ?
B7 C2 B3 63.39(11) . . ?
B7 C2 B6 113.50(15) . . ?
B11 C2 C1 106.19(13) . . ?
B11 C2 B3 113.58(14) . . ?
B11 C2 B6 63.59(12) . . ?
B11 C2 B7 64.68(12) . . ?
C1 B3 C2 68.21(11) . . ?
C1 B3 H3 119.5(11) . . ?
C1 B3 B4 56.94(11) . . ?
C1 B3 B7 110.68(14) . . ?
C1 B3 B8 104.95(14) . . ?
C2 B3 H3 118.7(11) . . ?
C2 B3 B4 111.21(14) . . ?
C2 B3 B7 56.51(11) . . ?
C2 B3 B8 104.57(14) . . ?
B4 B3 H3 122.8(11) . . ?
B4 B3 B7 107.80(15) . . ?
B7 B3 H3 122.0(11) . . ?
B8 B3 H3 126.1(11) . . ?
B8 B3 B4 59.32(12) . . ?
B8 B3 B7 58.79(12) . . ?
O1 C3 H3A 111.4 . . ?
O1 C3 C4 107.4(2) . . ?
O1 C3 C8 109.1(3) . . ?
C4 C3 H3A 111.4 . . ?
C8 C3 H3A 111.4 . . ?
C8 C3 C4 106.0(2) . . ?
C1 B4 B3 59.22(11) . . ?
C1 B4 H4 118.1(11) . . ?
C1 B4 B5 57.90(11) . . ?
C1 B4 B8 107.35(14) . . ?
C1 B4 B9 105.90(15) . . ?
B3 B4 H4 119.5(11) . . ?
B5 B4 B3 105.72(14) . . ?
B5 B4 H4 122.3(11) . . ?
B8 B4 B3 60.03(12) . . ?
B8 B4 H4 124.3(11) . . ?
B8 B4 B5 108.16(15) . . ?
B8 B4 B9 60.69(12) . . ?
B9 B4 B3 107.27(15) . . ?
B9 B4 H4 127.1(11) . . ?
B9 B4 B5 59.84(12) . . ?
C3 C4 H4BC 109.4 . . ?
C3 C4 H4BD 109.4 . . ?
H4AA C4 H4AB 108.6 . . ?
H4BC C4 H4BD 108.0 . . ?
C5 C4 C3 111.1(2) . . ?
C5 C4 H4BC 109.4 . . ?
C5 C4 H4BD 109.4 . . ?
C3B C4 H4AA 110.3 . . ?
C3B C4 H4AB 110.3 . . ?
C7B C4 H4AA 110.3 . . ?
C7B C4 H4AB 110.3 . . ?
C7B C4 C3B 107.0(5) . . ?
C1 B5 B4 57.97(11) . . ?
C1 B5 H5 116.6(11) . . ?
C1 B5 B6 59.40(11) . . ?
C1 B5 B9 105.99(15) . . ?
C1 B5 B10 107.22(15) . . ?
B4 B5 H5 123.9(11) . . ?
B4 B5 B6 105.87(14) . . ?
B6 B5 H5 116.8(11) . . ?
B9 B5 B4 59.87(12) . . ?
B9 B5 H5 129.7(11) . . ?
B9 B5 B6 107.16(14) . . ?
B9 B5 B10 60.39(12) . . ?
B10 B5 B4 107.85(15) . . ?
B10 B5 H5 124.2(11) . . ?
B10 B5 B6 59.88(12) . . ?
C4 C5 H5A 110.0 . . ?
C4 C5 H5B 110.0 . . ?
C4 C5 C6 108.3(3) . . ?
H5A C5 H5B 108.4 . . ?
C6 C5 H5A 110.0 . . ?
C6 C5 H5B 110.0 . . ?
C1 B6 C2 68.25(11) . . ?
C1 B6 B5 56.91(11) . . ?
C1 B6 H6 120.0(11) . . ?
C1 B6 B10 105.03(14) . . ?
C1 B6 B11 110.50(14) . . ?
C2 B6 B5 111.37(14) . . ?
C2 B6 H6 119.6(11) . . ?
C2 B6 B10 104.45(14) . . ?
C2 B6 B11 56.18(11) . . ?
B5 B6 H6 122.0(11) . . ?
B5 B6 B11 108.15(15) . . ?
B10 B6 B5 59.63(12) . . ?
B10 B6 H6 125.2(11) . . ?
B10 B6 B11 58.91(12) . . ?
B11 B6 H6 122.1(11) . . ?
N1 C6 C5 106.3(3) . . ?
N1 C6 H6A 111.8 . . ?
N1 C6 C7 108.0(3) . . ?
C5 C6 H6A 111.8 . . ?
C5 C6 C7 106.7(3) . . ?
C7 C6 H6A 111.8 . . ?
C2 B7 B3 60.10(11) . . ?
C2 B7 H7 114.9(12) . . ?
C2 B7 B8 108.58(14) . . ?
C2 B7 B11 57.32(11) . . ?
C2 B7 B12 106.14(15) . . ?
B3 B7 H7 117.2(12) . . ?
B8 B7 B3 60.17(12) . . ?
B8 B7 H7 124.9(11) . . ?
B8 B7 B11 108.14(15) . . ?
B8 B7 B12 60.67(13) . . ?
B11 B7 B3 105.37(14) . . ?
B11 B7 H7 123.1(12) . . ?
B12 B7 B3 107.19(15) . . ?
B12 B7 H7 130.1(12) . . ?
B12 B7 B11 59.84(12) . . ?
C6 C7 H7B 123.1 . . ?
C8 C7 C6 113.8(3) . . ?
C8 C7 H7B 123.1 . . ?
C3B C7 H7A 124.9 . . ?
C5B C7 H7A 124.9 . . ?
C5B C7 C3B 110.2(5) . . ?
B3 B8 H8 121.2(11) . . ?
B3 B8 B9 106.97(15) . . ?
B3 B8 B12 107.38(15) . . ?
B4 B8 B3 60.65(12) . . ?
B4 B8 H8 119.9(11) . . ?
B4 B8 B9 59.66(12) . . ?
B4 B8 B12 107.97(15) . . ?
B7 B8 B3 61.03(12) . . ?
B7 B8 B4 110.71(14) . . ?
B7 B8 H8 120.5(11) . . ?
B7 B8 B9 108.23(15) . . ?
B7 B8 B12 60.07(12) . . ?
B9 B8 H8 122.9(11) . . ?
B12 B8 H8 123.3(11) . . ?
B12 B8 B9 59.20(12) . . ?
C3 C8 H8A 123.1 . . ?
C7 C8 C3 113.8(3) . . ?
C7 C8 H8A 123.1 . . ?
B4 B9 B8 59.65(12) . . ?
B4 B9 H9 120.0(12) . . ?
B4 B9 B10 107.83(15) . . ?
B5 B9 B4 60.29(12) . . ?
B5 B9 B8 107.70(15) . . ?
B5 B9 H9 119.7(11) . . ?
B5 B9 B10 59.95(12) . . ?
B8 B9 H9 123.0(11) . . ?
B10 B9 B8 107.15(15) . . ?
B10 B9 H9 122.7(11) . . ?
B12 B9 B4 108.80(16) . . ?
B12 B9 B5 108.90(15) . . ?
B12 B9 B8 60.24(13) . . ?
B12 B9 H9 122.9(12) . . ?
B12 B9 B10 60.07(12) . . ?
B5 B10 B6 60.49(11) . . ?
B5 B10 B9 59.66(12) . . ?
B5 B10 H10 120.3(11) . . ?
B5 B10 B12 108.16(15) . . ?
B6 B10 B9 107.06(14) . . ?
B6 B10 H10 123.0(11) . . ?
B9 B10 H10 121.2(11) . . ?
B11 B10 B5 110.54(15) . . ?
B11 B10 B6 60.98(12) . . ?
B11 B10 B9 108.56(16) . . ?
B11 B10 H10 121.2(11) . . ?
B11 B10 B12 60.34(13) . . ?
B12 B10 B6 107.70(15) . . ?
B12 B10 B9 59.45(13) . . ?
B12 B10 H10 121.7(11) . . ?
C2 B11 B6 60.23(11) . . ?
C2 B11 B7 58.00(11) . . ?
C2 B11 B10 108.71(14) . . ?
C2 B11 H11 114.0(11) . . ?
C2 B11 B12 106.53(14) . . ?
B6 B11 H11 117.1(11) . . ?
B7 B11 B6 105.81(14) . . ?
B7 B11 H11 122.6(11) . . ?
B10 B11 B6 60.12(12) . . ?
B10 B11 B7 107.85(15) . . ?
B10 B11 H11 125.6(11) . . ?
B10 B11 B12 60.32(13) . . ?
B12 B11 B6 107.02(15) . . ?
B12 B11 B7 59.65(12) . . ?
B12 B11 H11 130.4(11) . . ?
B7 B12 B8 59.26(12) . . ?
B7 B12 B10 107.75(15) . . ?
B7 B12 B11 60.51(12) . . ?
B7 B12 H12 121.8(12) . . ?
B8 B12 H12 122.6(11) . . ?
B9 B12 B7 108.68(15) . . ?
B9 B12 B8 60.56(13) . . ?
B9 B12 B10 60.49(12) . . ?
B9 B12 B11 108.58(15) . . ?
B9 B12 H12 121.0(12) . . ?
B10 B12 B8 107.72(15) . . ?
B10 B12 B11 59.33(12) . . ?
B10 B12 H12 121.7(11) . . ?
B11 B12 B8 107.55(15) . . ?
B11 B12 H12 121.4(12) . . ?
N1 O2B C3B 108.5(8) . . ?
C4 C3B H3B 112.4 . . ?
C7 C3B C4 117.9(6) . . ?
C7 C3B O2B 90.4(6) . . ?
C7 C3B H3B 112.4 . . ?
O2B C3B C4 109.4(7) . . ?
O2B C3B H3B 112.4 . . ?
C7 C5B H5BA 126.5 . . ?
C7 C5B C6B 106.9(7) . . ?
C6B C5B H5BA 126.5 . . ?
N1 C6B H6B 113.8 . . ?
C5B C6B N1 104.6(8) . . ?
C5B C6B H6B 113.8 . . ?
C7B C6B N1 102.6(8) . . ?
C7B C6B C5B 107.3(10) . . ?
C7B C6B H6B 113.8 . . ?
C4 C7B C6B 120.4(9) . . ?
C4 C7B H7BA 107.2 . . ?
C4 C7B H7BB 107.2 . . ?
C6B C7B H7BA 107.2 . . ?
C6B C7B H7BB 107.2 . . ?
H7BA C7B H7BB 106.9 . . ?

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
C1 C1 B3 C2 -107.2(2) 3_557 . . . ?
C1 C1 B3 B4 116.3(2) 3_557 . . . ?
C1 C1 B3 B7 -145.36(19) 3_557 . . . ?
C1 C1 B3 B8 152.83(19) 3_557 . . . ?
C1 C1 B4 B3 -106.7(2) 3_557 . . . ?
C1 C1 B4 B5 115.1(2) 3_557 . . . ?
C1 C1 B4 B8 -144.0(2) 3_557 . . . ?
C1 C1 B4 B9 152.4(2) 3_557 . . . ?
C1 C1 B5 B4 -114.8(2) 3_557 . . . ?
C1 C1 B5 B6 107.1(2) 3_557 . . . ?
C1 C1 B5 B9 -152.1(2) 3_557 . . . ?
C1 C1 B5 B10 144.6(2) 3_557 . . . ?
C1 C1 B6 C2 106.9(2) 3_557 . . . ?
C1 C1 B6 B5 -116.4(2) 3_557 . . . ?
C1 C1 B6 B10 -153.29(19) 3_557 . . . ?
C1 C1 B6 B11 144.78(19) 3_557 . . . ?
C1 C2 B3 B4 38.25(12) . . . . ?
C1 C2 B3 B7 136.09(15) . . . . ?
C1 C2 B3 B8 100.56(15) . . . . ?
C1 C2 B6 B5 -38.07(12) . . . . ?
C1 C2 B6 B10 -100.69(14) . . . . ?
C1 C2 B6 B11 -136.14(14) . . . . ?
C1 C2 B7 B3 -36.34(12) . . . . ?
C1 C2 B7 B8 0.67(18) . . . . ?
C1 C2 B7 B11 100.72(14) . . . . ?
C1 C2 B7 B12 64.52(16) . . . . ?
C1 C2 B11 B6 36.43(12) . . . . ?
C1 C2 B11 B7 -100.26(14) . . . . ?
C1 C2 B11 B10 -0.47(18) . . . . ?
C1 C2 B11 B12 -64.06(16) . . . . ?
C1 B3 B4 B5 35.88(12) . . . . ?
C1 B3 B4 B8 138.09(15) . . . . ?
C1 B3 B4 B9 98.55(15) . . . . ?
C1 B3 B7 C2 43.50(14) . . . . ?
C1 B3 B7 B8 -95.38(16) . . . . ?
C1 B3 B7 B11 7.01(19) . . . . ?
C1 B3 B7 B12 -55.58(18) . . . . ?
C1 B3 B8 B4 -35.41(13) . . . . ?
C1 B3 B8 B7 105.40(15) . . . . ?
C1 B3 B8 B9 3.57(18) . . . . ?
C1 B3 B8 B12 65.83(17) . . . . ?
C1 B4 B5 B6 36.68(12) . . . . ?
C1 B4 B5 B9 137.61(15) . . . . ?
C1 B4 B5 B10 99.52(15) . . . . ?
C1 B4 B8 B3 36.96(14) . . . . ?
C1 B4 B8 B7 0.7(2) . . . . ?
C1 B4 B8 B9 -98.85(16) . . . . ?
C1 B4 B8 B12 -63.29(19) . . . . ?
C1 B4 B9 B5 -36.43(13) . . . . ?
C1 B4 B9 B8 101.28(15) . . . . ?
C1 B4 B9 B10 1.46(19) . . . . ?
C1 B4 B9 B12 65.09(19) . . . . ?
C1 B5 B6 C2 43.13(13) . . . . ?
C1 B5 B6 B10 137.79(15) . . . . ?
C1 B5 B6 B11 103.08(15) . . . . ?
C1 B5 B9 B4 36.48(13) . . . . ?
C1 B5 B9 B8 -1.08(19) . . . . ?
C1 B5 B9 B10 -101.03(15) . . . . ?
C1 B5 B9 B12 -64.87(18) . . . . ?
C1 B5 B10 B6 -37.26(13) . . . . ?
C1 B5 B10 B9 98.95(16) . . . . ?
C1 B5 B10 B11 -1.1(2) . . . . ?
C1 B5 B10 B12 63.23(18) . . . . ?
C1 B6 B10 B5 35.65(13) . . . . ?
C1 B6 B10 B9 -3.01(18) . . . . ?
C1 B6 B10 B11 -105.16(15) . . . . ?
C1 B6 B10 B12 -65.61(17) . . . . ?
C1 B6 B11 C2 -43.40(14) . . . . ?
C1 B6 B11 B7 -6.19(19) . . . . ?
C1 B6 B11 B10 95.62(16) . . . . ?
C1 B6 B11 B12 56.25(18) . . . . ?
N1 O1 C3 C4 -58.9(3) . . . . ?
N1 O1 C3 C8 55.6(3) . . . . ?
N1 C2 B3 C1 103.92(16) . . . . ?
N1 C2 B3 B4 142.17(15) . . . . ?
N1 C2 B3 B7 -119.99(18) . . . . ?
N1 C2 B3 B8 -155.52(15) . . . . ?
N1 C2 B6 C1 -104.03(15) . . . . ?
N1 C2 B6 B5 -142.10(15) . . . . ?
N1 C2 B6 B10 155.27(15) . . . . ?
N1 C2 B6 B11 119.83(17) . . . . ?
N1 C2 B7 B3 104.79(19) . . . . ?
N1 C2 B7 B8 141.79(17) . . . . ?
N1 C2 B7 B11 -118.15(19) . . . . ?
N1 C2 B7 B12 -154.35(17) . . . . ?
N1 C2 B11 B6 -104.85(19) . . . . ?
N1 C2 B11 B7 118.5(2) . . . . ?
N1 C2 B11 B10 -141.75(18) . . . . ?
N1 C2 B11 B12 154.66(17) . . . . ?
N1 C6 C7 C8 52.3(4) . . . . ?
N1 O2B C3B C4 48.2(9) . . . . ?
N1 O2B C3B C7 -71.7(8) . . . . ?
N1 C6B C7B C4 59.1(11) . . . . ?
O1 N1 C2 C1 -102.47(17) . . . . ?
O1 N1 C2 B3 -164.74(16) . . . . ?
O1 N1 C2 B6 -40.1(2) . . . . ?
O1 N1 C2 B7 119.6(2) . . . . ?
O1 N1 C2 B11 35.7(2) . . . . ?
O1 N1 C6 C5 61.7(3) . . . . ?
O1 N1 C6 C7 -52.5(4) . . . . ?
O1 C3 C4 C5 58.0(3) . . . . ?
O1 C3 C8 C7 -58.9(4) . . . . ?
C2 C1 B3 B4 -136.48(14) . . . . ?
C2 C1 B3 B7 -38.19(12) . . . . ?
C2 C1 B3 B8 -100.00(14) . . . . ?
C2 C1 B4 B3 37.03(12) . . . . ?
C2 C1 B4 B5 -101.22(13) . . . . ?
C2 C1 B4 B8 -0.29(18) . . . . ?
C2 C1 B4 B9 -63.91(16) . . . . ?
C2 C1 B5 B4 101.41(13) . . . . ?
C2 C1 B5 B6 -36.71(12) . . . . ?
C2 C1 B5 B9 64.07(16) . . . . ?
C2 C1 B5 B10 0.77(17) . . . . ?
C2 C1 B6 B5 136.74(14) . . . . ?
C2 C1 B6 B10 99.85(14) . . . . ?
C2 C1 B6 B11 37.92(12) . . . . ?
C2 N1 O1 C3 -136.0(2) . . . . ?
C2 N1 C6 C5 -166.1(2) . . . . ?
C2 N1 C6 C7 79.7(3) . . . . ?
C2 N1 O2B C3B 137.1(7) . . . . ?
C2 N1 C6B C5B -81.6(8) . . . . ?
C2 N1 C6B C7B 166.5(6) . . . . ?
C2 B3 B4 C1 -43.31(13) . . . . ?
C2 B3 B4 B5 -7.43(18) . . . . ?
C2 B3 B4 B8 94.78(15) . . . . ?
C2 B3 B4 B9 55.25(18) . . . . ?
C2 B3 B7 B8 -138.88(16) . . . . ?
C2 B3 B7 B11 -36.49(13) . . . . ?
C2 B3 B7 B12 -99.08(16) . . . . ?
C2 B3 B8 B4 -106.29(15) . . . . ?
C2 B3 B8 B7 34.52(13) . . . . ?
C2 B3 B8 B9 -67.31(17) . . . . ?
C2 B3 B8 B12 -5.05(18) . . . . ?
C2 B6 B10 B5 106.57(15) . . . . ?
C2 B6 B10 B9 67.91(17) . . . . ?
C2 B6 B10 B11 -34.24(13) . . . . ?
C2 B6 B10 B12 5.31(18) . . . . ?
C2 B6 B11 B7 37.20(13) . . . . ?
C2 B6 B11 B10 139.02(15) . . . . ?
C2 B6 B11 B12 99.65(15) . . . . ?
C2 B7 B8 B3 -36.97(14) . . . . ?
C2 B7 B8 B4 -0.9(2) . . . . ?
C2 B7 B8 B9 62.75(18) . . . . ?
C2 B7 B8 B12 98.49(16) . . . . ?
C2 B7 B11 B6 -38.24(13) . . . . ?
C2 B7 B11 B10 -101.31(15) . . . . ?
C2 B7 B11 B12 -139.00(15) . . . . ?
C2 B7 B12 B8 -102.59(15) . . . . ?
C2 B7 B12 B9 -66.17(18) . . . . ?
C2 B7 B12 B10 -2.13(19) . . . . ?
C2 B7 B12 B11 35.09(13) . . . . ?
C2 B11 B12 B7 -35.48(13) . . . . ?
C2 B11 B12 B8 1.89(19) . . . . ?
C2 B11 B12 B9 65.95(19) . . . . ?
C2 B11 B12 B10 102.48(15) . . . . ?
B3 C1 B4 B5 -138.24(14) . . . . ?
B3 C1 B4 B8 -37.31(14) . . . . ?
B3 C1 B4 B9 -100.93(15) . . . . ?
B3 C1 B5 B4 40.95(14) . . . . ?
B3 C1 B5 B6 -97.17(15) . . . . ?
B3 C1 B5 B9 3.61(19) . . . . ?
B3 C1 B5 B10 -59.69(18) . . . . ?
B3 C1 B6 C2 -27.42(13) . . . . ?
B3 C1 B6 B5 109.32(15) . . . . ?
B3 C1 B6 B10 72.43(16) . . . . ?
B3 C1 B6 B11 10.50(18) . . . . ?
B3 C2 B6 C1 26.69(12) . . . . ?
B3 C2 B6 B5 -11.38(18) . . . . ?
B3 C2 B6 B10 -74.01(15) . . . . ?
B3 C2 B6 B11 -109.45(15) . . . . ?
B3 C2 B7 B8 37.00(14) . . . . ?
B3 C2 B7 B11 137.06(15) . . . . ?
B3 C2 B7 B12 100.86(16) . . . . ?
B3 C2 B11 B6 95.04(15) . . . . ?
B3 C2 B11 B7 -41.65(14) . . . . ?
B3 C2 B11 B10 58.14(19) . . . . ?
B3 C2 B11 B12 -5.46(19) . . . . ?
B3 B4 B5 C1 -36.47(12) . . . . ?
B3 B4 B5 B6 0.21(18) . . . . ?
B3 B4 B5 B9 101.14(15) . . . . ?
B3 B4 B5 B10 63.05(17) . . . . ?
B3 B4 B8 B7 -36.24(15) . . . . ?
B3 B4 B8 B9 -135.80(15) . . . . ?
B3 B4 B8 B12 -100.25(16) . . . . ?
B3 B4 B9 B5 -98.48(15) . . . . ?
B3 B4 B9 B8 39.23(14) . . . . ?
B3 B4 B9 B10 -60.59(18) . . . . ?
B3 B4 B9 B12 3.0(2) . . . . ?
B3 B7 B8 B4 36.08(15) . . . . ?
B3 B7 B8 B9 99.72(16) . . . . ?
B3 B7 B8 B12 135.46(15) . . . . ?
B3 B7 B11 C2 37.77(13) . . . . ?
B3 B7 B11 B6 -0.46(19) . . . . ?
B3 B7 B11 B10 -63.54(18) . . . . ?
B3 B7 B11 B12 -101.23(16) . . . . ?
B3 B7 B12 B8 -39.57(14) . . . . ?
B3 B7 B12 B9 -3.1(2) . . . . ?
B3 B7 B12 B10 60.89(18) . . . . ?
B3 B7 B12 B11 98.11(15) . . . . ?
B3 B8 B9 B4 -39.44(14) . . . . ?
B3 B8 B9 B5 -1.60(19) . . . . ?
B3 B8 B9 B10 61.55(18) . . . . ?
B3 B8 B9 B12 100.47(16) . . . . ?
B3 B8 B12 B7 40.02(14) . . . . ?
B3 B8 B12 B9 -99.75(16) . . . . ?
B3 B8 B12 B10 -60.49(19) . . . . ?
B3 B8 B12 B11 2.1(2) . . . . ?
C3 C4 C5 C6 2.6(3) . . . . ?
B4 C1 B3 C2 136.48(14) . . . . ?
B4 C1 B3 B7 98.29(16) . . . . ?
B4 C1 B3 B8 36.48(13) . . . . ?
B4 C1 B5 B6 -138.12(14) . . . . ?
B4 C1 B5 B9 -37.34(14) . . . . ?
B4 C1 B5 B10 -100.64(16) . . . . ?
B4 C1 B6 C2 -95.62(15) . . . . ?
B4 C1 B6 B5 41.12(14) . . . . ?
B4 C1 B6 B10 4.23(19) . . . . ?
B4 C1 B6 B11 -57.70(19) . . . . ?
B4 B3 B7 C2 104.08(15) . . . . ?
B4 B3 B7 B8 -34.81(14) . . . . ?
B4 B3 B7 B11 67.58(17) . . . . ?
B4 B3 B7 B12 4.99(19) . . . . ?
B4 B3 B8 B7 140.81(16) . . . . ?
B4 B3 B8 B9 38.98(14) . . . . ?
B4 B3 B8 B12 101.24(16) . . . . ?
B4 B5 B6 C1 -36.04(12) . . . . ?
B4 B5 B6 C2 7.09(18) . . . . ?
B4 B5 B6 B10 101.74(15) . . . . ?
B4 B5 B6 B11 67.03(17) . . . . ?
B4 B5 B9 B8 -37.56(14) . . . . ?
B4 B5 B9 B10 -137.52(16) . . . . ?
B4 B5 B9 B12 -101.36(17) . . . . ?
B4 B5 B10 B6 -98.35(15) . . . . ?
B4 B5 B10 B9 37.86(14) . . . . ?
B4 B5 B10 B11 -62.19(19) . . . . ?
B4 B5 B10 B12 2.1(2) . . . . ?
B4 B8 B9 B5 37.84(14) . . . . ?
B4 B8 B9 B10 100.99(16) . . . . ?
B4 B8 B9 B12 139.91(16) . . . . ?
B4 B8 B12 B7 104.02(16) . . . . ?
B4 B8 B12 B9 -35.75(15) . . . . ?
B4 B8 B12 B10 3.5(2) . . . . ?
B4 B8 B12 B11 66.09(19) . . . . ?
B4 B9 B10 B5 -38.04(14) . . . . ?
B4 B9 B10 B6 1.0(2) . . . . ?
B4 B9 B10 B11 65.39(18) . . . . ?
B4 B9 B10 B12 101.86(17) . . . . ?
B4 B9 B12 B7 0.1(2) . . . . ?
B4 B9 B12 B8 35.95(14) . . . . ?
B4 B9 B12 B10 -100.21(16) . . . . ?
B4 B9 B12 B11 -64.17(19) . . . . ?
C4 C3 C8 C7 56.4(3) . . . . ?
C4 C5 C6 N1 -60.7(3) . . . . ?
C4 C5 C6 C7 54.4(4) . . . . ?
B5 C1 B3 C2 95.41(14) . . . . ?
B5 C1 B3 B4 -41.07(14) . . . . ?
B5 C1 B3 B7 57.22(19) . . . . ?
B5 C1 B3 B8 -4.59(18) . . . . ?
B5 C1 B4 B3 138.24(14) . . . . ?
B5 C1 B4 B8 100.93(16) . . . . ?
B5 C1 B4 B9 37.31(14) . . . . ?
B5 C1 B6 C2 -136.74(14) . . . . ?
B5 C1 B6 B10 -36.89(13) . . . . ?
B5 C1 B6 B11 -98.82(16) . . . . ?
B5 B4 B8 B3 98.04(15) . . . . ?
B5 B4 B8 B7 61.81(19) . . . . ?
B5 B4 B8 B9 -37.76(14) . . . . ?
B5 B4 B8 B12 -2.2(2) . . . . ?
B5 B4 B9 B8 137.71(15) . . . . ?
B5 B4 B9 B10 37.89(14) . . . . ?
B5 B4 B9 B12 101.51(17) . . . . ?
B5 B6 B10 B9 -38.66(14) . . . . ?
B5 B6 B10 B11 -140.81(16) . . . . ?
B5 B6 B10 B12 -101.26(16) . . . . ?
B5 B6 B11 C2 -104.01(15) . . . . ?
B5 B6 B11 B7 -66.80(17) . . . . ?
B5 B6 B11 B10 35.01(14) . . . . ?
B5 B6 B11 B12 -4.36(19) . . . . ?
B5 B9 B10 B6 39.05(14) . . . . ?
B5 B9 B10 B11 103.43(16) . . . . ?
B5 B9 B10 B12 139.90(16) . . . . ?
B5 B9 B12 B7 64.2(2) . . . . ?
B5 B9 B12 B8 100.04(16) . . . . ?
B5 B9 B12 B10 -36.11(15) . . . . ?
B5 B9 B12 B11 -0.1(2) . . . . ?
B5 B10 B11 C2 1.0(2) . . . . ?
B5 B10 B11 B6 -35.96(14) . . . . ?
B5 B10 B11 B7 62.38(19) . . . . ?
B5 B10 B11 B12 99.77(17) . . . . ?
B5 B10 B12 B7 -66.03(19) . . . . ?
B5 B10 B12 B8 -3.5(2) . . . . ?
B5 B10 B12 B9 35.81(15) . . . . ?
B5 B10 B12 B11 -103.77(16) . . . . ?
C5 C6 C7 C8 -61.6(4) . . . . ?
B6 C1 B3 C2 27.36(13) . . . . ?
B6 C1 B3 B4 -109.12(15) . . . . ?
B6 C1 B3 B7 -10.83(18) . . . . ?
B6 C1 B3 B8 -72.64(16) . . . . ?
B6 C1 B4 B3 97.32(15) . . . . ?
B6 C1 B4 B5 -40.93(14) . . . . ?
B6 C1 B4 B8 60.00(19) . . . . ?
B6 C1 B4 B9 -3.62(19) . . . . ?
B6 C1 B5 B4 138.12(14) . . . . ?
B6 C1 B5 B9 100.78(15) . . . . ?
B6 C1 B5 B10 37.48(13) . . . . ?
B6 C2 B3 C1 -26.74(12) . . . . ?
B6 C2 B3 B4 11.51(18) . . . . ?
B6 C2 B3 B7 109.35(15) . . . . ?
B6 C2 B3 B8 73.83(16) . . . . ?
B6 C2 B7 B3 -94.99(15) . . . . ?
B6 C2 B7 B8 -57.98(18) . . . . ?
B6 C2 B7 B11 42.07(14) . . . . ?
B6 C2 B7 B12 5.87(19) . . . . ?
B6 C2 B11 B7 -136.69(15) . . . . ?
B6 C2 B11 B10 -36.90(14) . . . . ?
B6 C2 B11 B12 -100.49(16) . . . . ?
B6 B5 B9 B4 98.72(15) . . . . ?
B6 B5 B9 B8 61.17(18) . . . . ?
B6 B5 B9 B10 -38.79(14) . . . . ?
B6 B5 B9 B12 -2.6(2) . . . . ?
B6 B5 B10 B9 136.21(16) . . . . ?
B6 B5 B10 B11 36.16(15) . . . . ?
B6 B5 B10 B12 100.49(16) . . . . ?
B6 B10 B11 C2 36.95(14) . . . . ?
B6 B10 B11 B7 98.35(15) . . . . ?
B6 B10 B11 B12 135.73(15) . . . . ?
B6 B10 B12 B7 -2.10(19) . . . . ?
B6 B10 B12 B8 60.44(19) . . . . ?
B6 B10 B12 B9 99.74(16) . . . . ?
B6 B10 B12 B11 -39.84(14) . . . . ?
B6 B11 B12 B7 -98.68(15) . . . . ?
B6 B11 B12 B8 -61.31(18) . . . . ?
B6 B11 B12 B9 2.7(2) . . . . ?
B6 B11 B12 B10 39.27(14) . . . . ?
C6 N1 O1 C3 -0.2(3) . . . . ?
C6 N1 C2 C1 125.9(2) . . . . ?
C6 N1 C2 B3 63.6(3) . . . . ?
C6 N1 C2 B6 -171.7(2) . . . . ?
C6 N1 C2 B7 -12.1(3) . . . . ?
C6 N1 C2 B11 -95.9(3) . . . . ?
C6 C7 C8 C3 2.8(4) . . . . ?
B7 C2 B3 C1 -136.09(15) . . . . ?
B7 C2 B3 B4 -97.84(16) . . . . ?
B7 C2 B3 B8 -35.53(14) . . . . ?
B7 C2 B6 C1 93.60(14) . . . . ?
B7 C2 B6 B5 55.52(18) . . . . ?
B7 C2 B6 B10 -7.10(18) . . . . ?
B7 C2 B6 B11 -42.55(14) . . . . ?
B7 C2 B11 B6 136.69(15) . . . . ?
B7 C2 B11 B10 99.79(17) . . . . ?
B7 C2 B11 B12 36.20(14) . . . . ?
B7 B3 B4 C1 -103.50(15) . . . . ?
B7 B3 B4 B5 -67.62(17) . . . . ?
B7 B3 B4 B8 34.59(14) . . . . ?
B7 B3 B4 B9 -4.95(19) . . . . ?
B7 B3 B8 B4 -140.81(16) . . . . ?
B7 B3 B8 B9 -101.83(16) . . . . ?
B7 B3 B8 B12 -39.56(14) . . . . ?
B7 B8 B9 B4 -103.81(16) . . . . ?
B7 B8 B9 B5 -65.97(18) . . . . ?
B7 B8 B9 B10 -2.82(19) . . . . ?
B7 B8 B9 B12 36.10(14) . . . . ?
B7 B8 B12 B9 -139.77(15) . . . . ?
B7 B8 B12 B10 -100.51(16) . . . . ?
B7 B8 B12 B11 -37.93(14) . . . . ?
B7 B11 B12 B8 37.37(14) . . . . ?
B7 B11 B12 B9 101.42(16) . . . . ?
B7 B11 B12 B10 137.95(15) . . . . ?
C7 C5B C6B N1 -33.1(10) . . . . ?
C7 C5B C6B C7B 75.4(10) . . . . ?
B8 B3 B4 C1 -138.09(15) . . . . ?
B8 B3 B4 B5 -102.21(15) . . . . ?
B8 B3 B4 B9 -39.54(14) . . . . ?
B8 B3 B7 C2 138.88(16) . . . . ?
B8 B3 B7 B11 102.39(16) . . . . ?
B8 B3 B7 B12 39.80(14) . . . . ?
B8 B4 B5 C1 -99.47(15) . . . . ?
B8 B4 B5 B6 -62.79(17) . . . . ?
B8 B4 B5 B9 38.14(14) . . . . ?
B8 B4 B5 B10 0.05(19) . . . . ?
B8 B4 B9 B5 -137.71(15) . . . . ?
B8 B4 B9 B10 -99.82(16) . . . . ?
B8 B4 B9 B12 -36.19(15) . . . . ?
B8 B7 B11 C2 100.85(15) . . . . ?
B8 B7 B11 B6 62.62(18) . . . . ?
B8 B7 B11 B10 -0.46(19) . . . . ?
B8 B7 B11 B12 -38.15(14) . . . . ?
B8 B7 B12 B9 36.42(15) . . . . ?
B8 B7 B12 B10 100.46(16) . . . . ?
B8 B7 B12 B11 137.68(15) . . . . ?
B8 B9 B10 B5 -100.89(16) . . . . ?
B8 B9 B10 B6 -61.85(18) . . . . ?
B8 B9 B10 B11 2.54(19) . . . . ?
B8 B9 B10 B12 39.00(14) . . . . ?
B8 B9 B12 B7 -35.87(14) . . . . ?
B8 B9 B12 B10 -136.15(15) . . . . ?
B8 B9 B12 B11 -100.11(16) . . . . ?
C8 C3 C4 C5 -58.5(3) . . . . ?
B9 B4 B5 C1 -137.61(15) . . . . ?
B9 B4 B5 B6 -100.93(15) . . . . ?
B9 B4 B5 B10 -38.09(14) . . . . ?
B9 B4 B8 B3 135.80(15) . . . . ?
B9 B4 B8 B7 99.57(17) . . . . ?
B9 B4 B8 B12 35.56(15) . . . . ?
B9 B5 B6 C1 -98.76(16) . . . . ?
B9 B5 B6 C2 -55.63(18) . . . . ?
B9 B5 B6 B10 39.03(14) . . . . ?
B9 B5 B6 B11 4.32(19) . . . . ?
B9 B5 B10 B6 -136.21(16) . . . . ?
B9 B5 B10 B11 -100.05(17) . . . . ?
B9 B5 B10 B12 -35.72(15) . . . . ?
B9 B8 B12 B7 139.77(16) . . . . ?
B9 B8 B12 B10 39.27(14) . . . . ?
B9 B8 B12 B11 101.84(16) . . . . ?
B9 B10 B11 C2 -62.70(19) . . . . ?
B9 B10 B11 B6 -99.65(15) . . . . ?
B9 B10 B11 B7 -1.30(19) . . . . ?
B9 B10 B11 B12 36.08(14) . . . . ?
B9 B10 B12 B7 -101.84(16) . . . . ?
B9 B10 B12 B8 -39.30(14) . . . . ?
B9 B10 B12 B11 -139.58(15) . . . . ?
B10 B5 B6 C1 -137.79(15) . . . . ?
B10 B5 B6 C2 -94.66(16) . . . . ?
B10 B5 B6 B11 -34.71(14) . . . . ?
B10 B5 B9 B4 137.52(16) . . . . ?
B10 B5 B9 B8 99.96(16) . . . . ?
B10 B5 B9 B12 36.16(15) . . . . ?
B10 B6 B11 C2 -139.02(15) . . . . ?
B10 B6 B11 B7 -101.81(16) . . . . ?
B10 B6 B11 B12 -39.37(14) . . . . ?
B10 B9 B12 B7 100.28(16) . . . . ?
B10 B9 B12 B8 136.15(15) . . . . ?
B10 B9 B12 B11 36.04(14) . . . . ?
B10 B11 B12 B7 -137.95(15) . . . . ?
B10 B11 B12 B8 -100.58(16) . . . . ?
B10 B11 B12 B9 -36.53(14) . . . . ?
B11 C2 B3 C1 -93.87(15) . . . . ?
B11 C2 B3 B4 -55.63(18) . . . . ?
B11 C2 B3 B7 42.21(15) . . . . ?
B11 C2 B3 B8 6.69(19) . . . . ?
B11 C2 B6 C1 136.14(14) . . . . ?
B11 C2 B6 B5 98.07(16) . . . . ?
B11 C2 B6 B10 35.45(13) . . . . ?
B11 C2 B7 B3 -137.06(15) . . . . ?
B11 C2 B7 B8 -100.05(16) . . . . ?
B11 C2 B7 B12 -36.20(14) . . . . ?
B11 B6 B10 B5 140.81(16) . . . . ?
B11 B6 B10 B9 102.15(16) . . . . ?
B11 B6 B10 B12 39.55(14) . . . . ?
B11 B7 B8 B3 -97.68(15) . . . . ?
B11 B7 B8 B4 -61.60(19) . . . . ?
B11 B7 B8 B9 2.04(19) . . . . ?
B11 B7 B8 B12 37.78(14) . . . . ?
B11 B7 B12 B8 -137.68(15) . . . . ?
B11 B7 B12 B9 -101.26(16) . . . . ?
B11 B7 B12 B10 -37.22(14) . . . . ?
B11 B10 B12 B7 37.74(14) . . . . ?
B11 B10 B12 B8 100.28(16) . . . . ?
B11 B10 B12 B9 139.58(15) . . . . ?
B12 B7 B8 B3 -135.46(15) . . . . ?
B12 B7 B8 B4 -99.38(17) . . . . ?
B12 B7 B8 B9 -35.74(14) . . . . ?
B12 B7 B11 C2 139.00(15) . . . . ?
B12 B7 B11 B6 100.76(16) . . . . ?
B12 B7 B11 B10 37.69(14) . . . . ?
B12 B8 B9 B4 -139.91(16) . . . . ?
B12 B8 B9 B5 -102.07(16) . . . . ?
B12 B8 B9 B10 -38.92(14) . . . . ?
B12 B9 B10 B5 -139.90(16) . . . . ?
B12 B9 B10 B6 -100.85(16) . . . . ?
B12 B9 B10 B11 -36.46(14) . . . . ?
B12 B10 B11 C2 -98.79(16) . . . . ?
B12 B10 B11 B6 -135.73(15) . . . . ?
B12 B10 B11 B7 -37.38(14) . . . . ?
O2B N1 C2 C1 104.2(4) . . . . ?
O2B N1 C2 B3 42.0(4) . . . . ?
O2B N1 C2 B6 166.6(4) . . . . ?
O2B N1 C2 B7 -33.7(5) . . . . ?
O2B N1 C2 B11 -117.6(4) . . . . ?
O2B N1 C6B C5B 48.3(10) . . . . ?
O2B N1 C6B C7B -63.6(9) . . . . ?
C3B C4 C7B C6B -4.5(11) . . . . ?
C3B C7 C5B C6B -34.1(9) . . . . ?
C5B C7 C3B C4 -20.4(8) . . . . ?
C5B C7 C3B O2B 91.9(7) . . . . ?
C5B C6B C7B C4 -50.8(13) . . . . ?
C6B N1 C2 C1 -125.4(4) . . . . ?
C6B N1 C2 B3 172.3(4) . . . . ?
C6B N1 C2 B6 -63.0(5) . . . . ?
C6B N1 C2 B7 96.7(5) . . . . ?
C6B N1 C2 B11 12.8(5) . . . . ?
C6B N1 O2B C3B 7.9(10) . . . . ?
C7B C4 C3B C7 45.8(8) . . . . ?
C7B C4 C3B O2B -55.4(9) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_5209
_database_code_depnum_ccdc_archive 'CCDC 1440371'
_audit_update_record             
;
2015-12-03 deposited with the CCDC.
2016-01-12 downloaded from the CCDC.
;
_audit_creation_date             2015-09-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C10 H29 B20 N O'
_chemical_formula_sum            'C10 H29 B20 N O'
_chemical_formula_weight         395.54
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.5006(11)
_cell_length_b                   12.0225(15)
_cell_length_c                   19.411(2)
_cell_angle_alpha                90
_cell_angle_beta                 93.031(6)
_cell_angle_gamma                90
_cell_volume                     2214.1(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2181
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      24.380
_cell_measurement_theta_min      2.340
_shelx_estimated_absorpt_T_max   0.991
_shelx_estimated_absorpt_T_min   0.976
_exptl_absorpt_coefficient_mu    0.057
_exptl_absorpt_correction_T_max  0.7451
_exptl_absorpt_correction_T_min  0.5845
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1243 before and 0.0881 after correction.
The Ratio of minimum to maximum transmission is 0.7845.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.187
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             816
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1410
_diffrn_reflns_av_unetI/netI     0.1091
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            26104
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        24.800
_diffrn_reflns_theta_max         24.800
_diffrn_reflns_theta_min         1.993
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2065
_reflns_number_total             3762
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         0.428
_refine_diff_density_min         -0.403
_refine_diff_density_rms         0.095
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         3762
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1663
_refine_ls_R_factor_gt           0.0900
_refine_ls_restrained_S_all      1.054
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1400P)²+1.3007P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2205
_refine_ls_wR_factor_ref         0.2699
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All H(H,H,H,H,H,H) groups, All B(H,H,H,H,H,H,H,H,H,H,H,H,H,H) groups, All
  C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C23(H23), C26(H26)
2.b Secondary CH2 refined with riding coordinates:
 C24(H24A,H24B), C25(H25A,H25B)
2.c Aromatic/amide H refined with riding coordinates:
 C27(H27), C28(H28)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.5697(4) 0.2765(3) 0.2230(2) 0.0208(10) Uani 1 1 d . . . . .
C2 C 0.5363(4) 0.2562(3) 0.1237(2) 0.0223(10) Uani 1 1 d . . . . .
B3 B 0.5342(6) 0.3848(4) 0.1674(2) 0.0214(12) Uani 1 1 d . . . . .
B4 B 0.6711(6) 0.3913(4) 0.2359(3) 0.0244(12) Uani 1 1 d . . . . .
B5 B 0.7439(5) 0.2544(4) 0.2416(3) 0.0252(12) Uani 1 1 d . . . . .
B6 B 0.6495(5) 0.1732(4) 0.1757(3) 0.0211(12) Uani 1 1 d . . . . .
B7 B 0.6202(6) 0.3640(4) 0.0874(3) 0.0247(12) Uani 1 1 d . . . . .
B8 B 0.7024(5) 0.4456(4) 0.1534(3) 0.0254(12) Uani 1 1 d . . . . .
B9 B 0.8343(6) 0.3616(5) 0.1988(3) 0.0292(13) Uani 1 1 d . . . . .
B10 B 0.8208(6) 0.2248(5) 0.1624(3) 0.0291(13) Uani 1 1 d . . . . .
H10 H 0.914(5) 0.166(4) 0.161(2) 0.041(13) Uiso 1 1 d . . . . .
H4 H 0.651(5) 0.437(4) 0.281(3) 0.050 Uiso 1 1 d R . . . .
H9 H 0.929(6) 0.397(4) 0.222(3) 0.050 Uiso 1 1 d R . . . .
H11 H 0.690(5) 0.164(4) 0.050(3) 0.050 Uiso 1 1 d R . . . .
H12 H 0.872(5) 0.372(4) 0.071(2) 0.050 Uiso 1 1 d R . . . .
H2' H 0.575(6) 0.088(4) 0.311(3) 0.050 Uiso 1 1 d R . . . .
H8' H 0.354(5) 0.341(4) 0.446(3) 0.050 Uiso 1 1 d R . . . .
B11 B 0.6938(6) 0.2272(5) 0.0927(3) 0.0272(13) Uani 1 1 d . . . . .
B12 B 0.8041(6) 0.3455(5) 0.1086(3) 0.0291(13) Uani 1 1 d . . . . .
N21 N 0.4068(4) 0.2137(3) 0.10208(19) 0.0266(9) Uani 1 1 d . . . . .
O22 O 0.4224(3) 0.0965(2) 0.08445(15) 0.0290(8) Uani 1 1 d . . . . .
C23 C 0.3308(5) 0.0712(4) 0.0235(2) 0.0330(12) Uani 1 1 d . . . . .
H23 H 0.3399 -0.0090 0.0108 0.040 Uiso 1 1 calc R . . . .
C24 C 0.1801(5) 0.0970(4) 0.0399(3) 0.0368(13) Uani 1 1 d . . . . .
H24A H 0.1536 0.0532 0.0804 0.044 Uiso 1 1 calc R . . . .
H24B H 0.1153 0.0768 0.0002 0.044 Uiso 1 1 calc R . . . .
C25 C 0.1683(5) 0.2203(4) 0.0551(2) 0.0328(12) Uani 1 1 d . . . . .
H25A H 0.1332 0.2313 0.1017 0.039 Uiso 1 1 calc R . . . .
H25B H 0.1007 0.2555 0.0211 0.039 Uiso 1 1 calc R . . . .
C26 C 0.3138(4) 0.2739(4) 0.0509(2) 0.0259(11) Uani 1 1 d . . . . .
H26 H 0.3107 0.3553 0.0613 0.031 Uiso 1 1 calc R . . . .
C27 C 0.3641(5) 0.2524(4) -0.0214(2) 0.0319(12) Uani 1 1 d . . . . .
H27 H 0.3853 0.3095 -0.0530 0.038 Uiso 1 1 calc R . . . .
C28 C 0.3747(5) 0.1439(5) -0.0349(2) 0.0384(13) Uani 1 1 d . . . . .
H28 H 0.4065 0.1154 -0.0770 0.046 Uiso 1 1 calc R . . . .
C1' C 0.4554(4) 0.2453(3) 0.2711(2) 0.0199(10) Uani 1 1 d . . . . .
C2' C 0.4816(5) 0.1325(4) 0.3193(2) 0.0219(10) Uani 1 1 d . . . . .
B3' B 0.5064(6) 0.2607(4) 0.3590(3) 0.0238(12) Uani 1 1 d . . . . .
B4' B 0.3726(5) 0.3462(5) 0.3183(2) 0.0241(12) Uani 1 1 d . . . . .
B5' B 0.2776(5) 0.2646(4) 0.2544(3) 0.0233(12) Uani 1 1 d . . . . .
B6' B 0.3497(5) 0.1285(4) 0.2542(3) 0.0206(11) Uani 1 1 d . . . . .
B7' B 0.4231(6) 0.1486(4) 0.4006(3) 0.0264(12) Uani 1 1 d . . . . .
B8' B 0.3490(6) 0.2845(5) 0.4003(3) 0.0302(13) Uani 1 1 d . . . . .
B9' B 0.2059(6) 0.2875(4) 0.3364(3) 0.0250(12) Uani 1 1 d . . . . .
H3 H 0.435(5) 0.424(3) 0.168(2) 0.030 Uiso 1 1 d R . . . .
H5 H 0.770(4) 0.218(3) 0.289(2) 0.030 Uiso 1 1 d R . . . .
H6 H 0.625(4) 0.086(3) 0.183(2) 0.030 Uiso 1 1 d R . . . .
H7 H 0.575(4) 0.398(3) 0.040(2) 0.030 Uiso 1 1 d R . . . .
H8 H 0.715(4) 0.538(3) 0.147(2) 0.030 Uiso 1 1 d R . . . .
H3' H 0.610(5) 0.289(3) 0.373(2) 0.030 Uiso 1 1 d R . . . .
H4' H 0.401(4) 0.437(3) 0.313(2) 0.030 Uiso 1 1 d R . . . .
H5' H 0.249(4) 0.302(3) 0.209(2) 0.030 Uiso 1 1 d R . . . .
H6' H 0.374(4) 0.077(3) 0.207(2) 0.030 Uiso 1 1 d R . . . .
H7' H 0.479(4) 0.099(3) 0.442(2) 0.030 Uiso 1 1 d R . . . .
H9' H 0.117(5) 0.342(3) 0.339(2) 0.030 Uiso 1 1 d R . . . .
H10' H 0.088(5) 0.121(3) 0.279(2) 0.030 Uiso 1 1 d R . . . .
H11' H 0.336(4) -0.026(3) 0.341(2) 0.030 Uiso 1 1 d R . . . .
H12' H 0.158(4) 0.137(3) 0.426(2) 0.030 Uiso 1 1 d R . . . .
B10' B 0.1932(5) 0.1533(4) 0.2964(3) 0.0238(12) Uani 1 1 d . . . . .
B11' B 0.3280(5) 0.0679(4) 0.3369(3) 0.0232(12) Uani 1 1 d . . . . .
B12' B 0.2373(6) 0.1654(4) 0.3871(3) 0.0268(12) Uani 1 1 d . . . . .


_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
C1 C2 1.951(6) . ?
C1 B3 1.713(6) . ?
C1 B4 1.695(7) . ?
C1 B5 1.695(7) . ?
C1 B6 1.741(6) . ?
C1 C1' 1.517(6) . ?
C2 B3 1.763(6) . ?
C2 B6 1.748(6) . ?
C2 B7 1.694(6) . ?
C2 B11 1.679(6) . ?
C2 N21 1.377(5) . ?
B3 B4 1.812(7) . ?
B3 B7 1.810(7) . ?
B3 B8 1.791(7) . ?
B3 H3 1.06(4) . ?
B4 B5 1.787(7) . ?
B4 B8 1.768(7) . ?
B4 B9 1.780(7) . ?
B4 H4 1.06(5) . ?
B5 B6 1.809(7) . ?
B5 B9 1.779(7) . ?
B5 B10 1.773(7) . ?
B5 H5 1.04(4) . ?
B6 B10 1.773(7) . ?
B6 B11 1.807(7) . ?
B6 H6 1.09(4) . ?
B7 B8 1.764(7) . ?
B7 B11 1.788(7) . ?
B7 B12 1.787(8) . ?
B7 H7 1.08(4) . ?
B8 B9 1.802(8) . ?
B8 B12 1.796(8) . ?
B8 H8 1.13(4) . ?
B9 B10 1.792(8) . ?
B9 H9 1.07(5) . ?
B9 B12 1.770(8) . ?
B10 H10 1.13(5) . ?
B10 B11 1.765(8) . ?
B10 B12 1.791(8) . ?
B11 H11 1.13(5) . ?
B11 B12 1.784(8) . ?
B12 H12 1.05(5) . ?
N21 O22 1.459(4) . ?
N21 C26 1.483(5) . ?
O22 C23 1.464(5) . ?
C23 H23 1.0000 . ?
C23 C24 1.516(7) . ?
C23 C28 1.507(7) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.517(6) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.532(6) . ?
C26 H26 1.0000 . ?
C26 C27 1.529(6) . ?
C27 H27 0.9500 . ?
C27 C28 1.335(6) . ?
C28 H28 0.9500 . ?
C1' C2' 1.658(6) . ?
C1' B3' 1.757(6) . ?
C1' B4' 1.734(6) . ?
C1' B5' 1.719(7) . ?
C1' B6' 1.748(6) . ?
C2' H2' 1.05(5) . ?
C2' B3' 1.733(7) . ?
C2' B6' 1.732(7) . ?
C2' B7' 1.712(6) . ?
C2' B11' 1.704(6) . ?
B3' B4' 1.786(7) . ?
B3' B7' 1.779(7) . ?
B3' B8' 1.757(7) . ?
B3' H3' 1.06(4) . ?
B4' B5' 1.789(7) . ?
B4' B8' 1.782(7) . ?
B4' B9' 1.786(7) . ?
B4' H4' 1.12(4) . ?
B5' B6' 1.774(7) . ?
B5' B9' 1.787(7) . ?
B5' H5' 1.02(4) . ?
B5' B10' 1.781(7) . ?
B6' H6' 1.13(4) . ?
B6' B10' 1.760(7) . ?
B6' B11' 1.784(7) . ?
B7' B8' 1.779(8) . ?
B7' H7' 1.11(4) . ?
B7' B11' 1.780(7) . ?
B7' B12' 1.782(8) . ?
B8' H8' 1.11(5) . ?
B8' B9' 1.792(8) . ?
B8' B12' 1.793(8) . ?
B9' H9' 1.07(4) . ?
B9' B10' 1.792(7) . ?
B9' B12' 1.784(7) . ?
B10' H10' 1.11(4) . ?
B10' B11' 1.791(7) . ?
B10' B12' 1.794(7) . ?
B11' H11' 1.13(4) . ?
B11' B12' 1.776(7) . ?
B12' H12' 1.15(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
B3 C1 C2 57.1(2) . . ?
B3 C1 B6 106.7(3) . . ?
B4 C1 C2 108.0(3) . . ?
B4 C1 B3 64.2(3) . . ?
B4 C1 B5 63.6(3) . . ?
B4 C1 B6 113.6(3) . . ?
B5 C1 C2 107.3(3) . . ?
B5 C1 B3 114.3(3) . . ?
B5 C1 B6 63.5(3) . . ?
B6 C1 C2 56.2(2) . . ?
C1' C1 C2 119.6(3) . . ?
C1' C1 B3 116.9(3) . . ?
C1' C1 B4 122.0(3) . . ?
C1' C1 B5 123.5(4) . . ?
C1' C1 B6 119.6(3) . . ?
B3 C2 C1 54.7(2) . . ?
B6 C2 C1 55.8(2) . . ?
B6 C2 B3 104.2(3) . . ?
B7 C2 C1 105.1(3) . . ?
B7 C2 B3 63.1(3) . . ?
B7 C2 B6 112.9(3) . . ?
B11 C2 C1 106.2(3) . . ?
B11 C2 B3 112.8(4) . . ?
B11 C2 B6 63.6(3) . . ?
B11 C2 B7 64.0(3) . . ?
N21 C2 C1 116.4(3) . . ?
N21 C2 B3 116.1(3) . . ?
N21 C2 B6 118.4(4) . . ?
N21 C2 B7 126.1(4) . . ?
N21 C2 B11 127.7(4) . . ?
C1 B3 C2 68.3(3) . . ?
C1 B3 B4 57.4(3) . . ?
C1 B3 B7 110.6(4) . . ?
C1 B3 B8 104.9(4) . . ?
C1 B3 H3 118(2) . . ?
C2 B3 B4 111.4(3) . . ?
C2 B3 B7 56.6(3) . . ?
C2 B3 B8 104.6(3) . . ?
C2 B3 H3 115(2) . . ?
B4 B3 H3 125(2) . . ?
B7 B3 B4 107.2(4) . . ?
B7 B3 H3 121(2) . . ?
B8 B3 B4 58.8(3) . . ?
B8 B3 B7 58.6(3) . . ?
B8 B3 H3 129(2) . . ?
C1 B4 B3 58.4(3) . . ?
C1 B4 B5 58.2(3) . . ?
C1 B4 B8 106.8(4) . . ?
C1 B4 B9 106.1(4) . . ?
C1 B4 H4 115(3) . . ?
B3 B4 H4 118(3) . . ?
B5 B4 B3 105.4(3) . . ?
B5 B4 H4 121(3) . . ?
B8 B4 B3 60.0(3) . . ?
B8 B4 B5 108.2(4) . . ?
B8 B4 B9 61.0(3) . . ?
B8 B4 H4 127(3) . . ?
B9 B4 B3 107.5(4) . . ?
B9 B4 B5 59.8(3) . . ?
B9 B4 H4 130(3) . . ?
C1 B5 B4 58.2(3) . . ?
C1 B5 B6 59.5(3) . . ?
C1 B5 B9 106.1(4) . . ?
C1 B5 B10 106.8(4) . . ?
C1 B5 H5 116(2) . . ?
B4 B5 B6 106.1(4) . . ?
B4 B5 H5 121(2) . . ?
B6 B5 H5 119(2) . . ?
B9 B5 B4 59.9(3) . . ?
B9 B5 B6 107.1(4) . . ?
B9 B5 H5 128(2) . . ?
B10 B5 B4 107.9(4) . . ?
B10 B5 B6 59.3(3) . . ?
B10 B5 B9 60.6(3) . . ?
B10 B5 H5 127(2) . . ?
C1 B6 C2 68.0(3) . . ?
C1 B6 B5 57.0(3) . . ?
C1 B6 B10 104.8(3) . . ?
C1 B6 B11 110.0(3) . . ?
C1 B6 H6 121(2) . . ?
C2 B6 B5 111.5(3) . . ?
C2 B6 B10 104.9(3) . . ?
C2 B6 B11 56.3(3) . . ?
C2 B6 H6 120(2) . . ?
B5 B6 H6 122(2) . . ?
B10 B6 B5 59.3(3) . . ?
B10 B6 B11 59.0(3) . . ?
B10 B6 H6 124(2) . . ?
B11 B6 B5 107.8(4) . . ?
B11 B6 H6 122(2) . . ?
C2 B7 B3 60.3(3) . . ?
C2 B7 B8 108.8(3) . . ?
C2 B7 B11 57.6(3) . . ?
C2 B7 B12 106.6(4) . . ?
C2 B7 H7 118(2) . . ?
B3 B7 H7 120(2) . . ?
B8 B7 B3 60.1(3) . . ?
B8 B7 B11 108.2(4) . . ?
B8 B7 B12 60.8(3) . . ?
B8 B7 H7 123(2) . . ?
B11 B7 B3 105.7(3) . . ?
B11 B7 H7 123(2) . . ?
B12 B7 B3 107.4(4) . . ?
B12 B7 B11 59.9(3) . . ?
B12 B7 H7 126(2) . . ?
B3 B8 B9 107.5(4) . . ?
B3 B8 B12 107.9(4) . . ?
B3 B8 H8 122(2) . . ?
B4 B8 B3 61.2(3) . . ?
B4 B8 B9 59.8(3) . . ?
B4 B8 B12 108.2(4) . . ?
B4 B8 H8 119(2) . . ?
B7 B8 B3 61.2(3) . . ?
B7 B8 B4 111.3(4) . . ?
B7 B8 B9 108.2(4) . . ?
B7 B8 B12 60.2(3) . . ?
B7 B8 H8 121(2) . . ?
B9 B8 H8 122(2) . . ?
B12 B8 B9 58.9(3) . . ?
B12 B8 H8 123(2) . . ?
B4 B9 B8 59.1(3) . . ?
B4 B9 B10 107.3(4) . . ?
B4 B9 H9 119(3) . . ?
B5 B9 B4 60.3(3) . . ?
B5 B9 B8 107.1(4) . . ?
B5 B9 B10 59.5(3) . . ?
B5 B9 H9 121(3) . . ?
B8 B9 H9 122(3) . . ?
B10 B9 B8 106.8(4) . . ?
B10 B9 H9 125(3) . . ?
B12 B9 B4 108.9(4) . . ?
B12 B9 B5 109.0(4) . . ?
B12 B9 B8 60.4(3) . . ?
B12 B9 B10 60.4(3) . . ?
B12 B9 H9 123(3) . . ?
B5 B10 B6 61.4(3) . . ?
B5 B10 B9 59.9(3) . . ?
B5 B10 H10 121(2) . . ?
B5 B10 B12 108.4(4) . . ?
B6 B10 B9 108.1(4) . . ?
B6 B10 H10 120(2) . . ?
B6 B10 B12 108.4(4) . . ?
B9 B10 H10 123(2) . . ?
B11 B10 B5 111.4(4) . . ?
B11 B10 B6 61.4(3) . . ?
B11 B10 B9 108.6(4) . . ?
B11 B10 H10 119(2) . . ?
B11 B10 B12 60.2(3) . . ?
B12 B10 B9 59.2(3) . . ?
B12 B10 H10 122(2) . . ?
C2 B11 B6 60.0(3) . . ?
C2 B11 B7 58.4(3) . . ?
C2 B11 B10 108.3(4) . . ?
C2 B11 H11 114(3) . . ?
C2 B11 B12 107.3(4) . . ?
B6 B11 H11 114(2) . . ?
B7 B11 B6 105.8(3) . . ?
B7 B11 H11 126(2) . . ?
B10 B11 B6 59.5(3) . . ?
B10 B11 B7 108.0(4) . . ?
B10 B11 H11 123(2) . . ?
B10 B11 B12 60.6(3) . . ?
B12 B11 B6 107.1(4) . . ?
B12 B11 B7 60.0(3) . . ?
B12 B11 H11 132(3) . . ?
B7 B12 B8 59.0(3) . . ?
B7 B12 B10 106.9(4) . . ?
B7 B12 H12 116(3) . . ?
B8 B12 H12 120(3) . . ?
B9 B12 B7 108.6(4) . . ?
B9 B12 B8 60.7(3) . . ?
B9 B12 B10 60.4(3) . . ?
B9 B12 H12 126(3) . . ?
B9 B12 B11 108.7(4) . . ?
B10 B12 B8 107.1(4) . . ?
B10 B12 H12 128(3) . . ?
B11 B12 B7 60.1(3) . . ?
B11 B12 B8 107.0(4) . . ?
B11 B12 B10 59.1(3) . . ?
B11 B12 H12 120(3) . . ?
C2 N21 O22 109.3(3) . . ?
C2 N21 C26 121.0(4) . . ?
O22 N21 C26 112.2(3) . . ?
N21 O22 C23 109.1(3) . . ?
O22 C23 H23 110.1 . . ?
O22 C23 C24 108.4(4) . . ?
O22 C23 C28 108.1(4) . . ?
C24 C23 H23 110.1 . . ?
C28 C23 H23 110.1 . . ?
C28 C23 C24 110.0(4) . . ?
C23 C24 H24A 109.9 . . ?
C23 C24 H24B 109.9 . . ?
C23 C24 C25 108.7(4) . . ?
H24A C24 H24B 108.3 . . ?
C25 C24 H24A 109.9 . . ?
C25 C24 H24B 109.9 . . ?
C24 C25 H25A 109.9 . . ?
C24 C25 H25B 109.9 . . ?
C24 C25 C26 109.0(4) . . ?
H25A C25 H25B 108.3 . . ?
C26 C25 H25A 109.9 . . ?
C26 C25 H25B 109.9 . . ?
N21 C26 C25 105.5(4) . . ?
N21 C26 H26 111.4 . . ?
N21 C26 C27 109.1(4) . . ?
C25 C26 H26 111.4 . . ?
C27 C26 C25 107.7(4) . . ?
C27 C26 H26 111.4 . . ?
C26 C27 H27 123.9 . . ?
C28 C27 C26 112.1(4) . . ?
C28 C27 H27 123.9 . . ?
C23 C28 H28 123.4 . . ?
C27 C28 C23 113.1(4) . . ?
C27 C28 H28 123.4 . . ?
C1 C1' C2' 117.3(3) . . ?
C1 C1' B3' 113.7(3) . . ?
C1 C1' B4' 120.8(4) . . ?
C1 C1' B5' 125.3(3) . . ?
C1 C1' B6' 120.4(3) . . ?
C2' C1' B3' 60.9(3) . . ?
C2' C1' B4' 109.5(3) . . ?
C2' C1' B5' 109.5(3) . . ?
C2' C1' B6' 61.1(3) . . ?
B4' C1' B3' 61.5(3) . . ?
B4' C1' B6' 112.9(3) . . ?
B5' C1' B3' 112.8(3) . . ?
B5' C1' B4' 62.4(3) . . ?
B5' C1' B6' 61.6(3) . . ?
B6' C1' B3' 113.1(3) . . ?
C1' C2' H2' 116(3) . . ?
C1' C2' B3' 62.4(3) . . ?
C1' C2' B6' 62.0(3) . . ?
C1' C2' B7' 112.4(3) . . ?
C1' C2' B11' 112.4(3) . . ?
B3' C2' H2' 115(3) . . ?
B6' C2' H2' 117(3) . . ?
B6' C2' B3' 115.2(3) . . ?
B7' C2' H2' 120(3) . . ?
B7' C2' B3' 62.2(3) . . ?
B7' C2' B6' 114.7(4) . . ?
B11' C2' H2' 122(3) . . ?
B11' C2' B3' 114.5(3) . . ?
B11' C2' B6' 62.6(3) . . ?
B11' C2' B7' 62.8(3) . . ?
C1' B3' B4' 58.6(3) . . ?
C1' B3' B7' 104.8(3) . . ?
C1' B3' B8' 105.3(4) . . ?
C1' B3' H3' 119(2) . . ?
C2' B3' C1' 56.7(2) . . ?
C2' B3' B4' 103.8(4) . . ?
C2' B3' B7' 58.3(3) . . ?
C2' B3' B8' 104.4(4) . . ?
C2' B3' H3' 120(2) . . ?
B4' B3' H3' 124(2) . . ?
B7' B3' B4' 108.3(4) . . ?
B7' B3' H3' 124(2) . . ?
B8' B3' B4' 60.4(3) . . ?
B8' B3' B7' 60.4(3) . . ?
B8' B3' H3' 129(2) . . ?
C1' B4' B3' 59.9(3) . . ?
C1' B4' B5' 58.4(3) . . ?
C1' B4' B8' 105.2(4) . . ?
C1' B4' B9' 105.0(4) . . ?
C1' B4' H4' 121(2) . . ?
B3' B4' B5' 108.2(4) . . ?
B3' B4' H4' 116(2) . . ?
B5' B4' H4' 125(2) . . ?
B8' B4' B3' 59.0(3) . . ?
B8' B4' B5' 108.0(4) . . ?
B8' B4' B9' 60.3(3) . . ?
B8' B4' H4' 122(2) . . ?
B9' B4' B3' 107.6(4) . . ?
B9' B4' B5' 60.0(3) . . ?
B9' B4' H4' 128(2) . . ?
C1' B5' B4' 59.2(3) . . ?
C1' B5' B6' 60.0(3) . . ?
C1' B5' B9' 105.6(4) . . ?
C1' B5' H5' 116(2) . . ?
C1' B5' B10' 105.9(3) . . ?
B4' B5' H5' 118(2) . . ?
B6' B5' B4' 109.1(4) . . ?
B6' B5' B9' 108.0(4) . . ?
B6' B5' H5' 119(2) . . ?
B6' B5' B10' 59.4(3) . . ?
B9' B5' B4' 59.9(3) . . ?
B9' B5' H5' 128(2) . . ?
B10' B5' B4' 108.5(4) . . ?
B10' B5' B9' 60.3(3) . . ?
B10' B5' H5' 128(2) . . ?
C1' B6' B5' 58.4(3) . . ?
C1' B6' H6' 116(2) . . ?
C1' B6' B10' 105.5(3) . . ?
C1' B6' B11' 104.6(3) . . ?
C2' B6' C1' 56.9(2) . . ?
C2' B6' B5' 103.7(3) . . ?
C2' B6' H6' 115(2) . . ?
C2' B6' B10' 104.6(3) . . ?
C2' B6' B11' 57.9(3) . . ?
B5' B6' H6' 127(2) . . ?
B5' B6' B11' 108.2(4) . . ?
B10' B6' B5' 60.5(3) . . ?
B10' B6' H6' 133(2) . . ?
B10' B6' B11' 60.7(3) . . ?
B11' B6' H6' 123(2) . . ?
C2' B7' B3' 59.5(3) . . ?
C2' B7' B8' 104.4(4) . . ?
C2' B7' H7' 116(2) . . ?
C2' B7' B11' 58.4(3) . . ?
C2' B7' B12' 104.2(4) . . ?
B3' B7' B8' 59.2(3) . . ?
B3' B7' H7' 122(2) . . ?
B3' B7' B11' 108.6(3) . . ?
B3' B7' B12' 108.0(4) . . ?
B8' B7' H7' 132(2) . . ?
B8' B7' B11' 108.2(4) . . ?
B8' B7' B12' 60.5(3) . . ?
B11' B7' H7' 114(2) . . ?
B11' B7' B12' 59.8(3) . . ?
B12' B7' H7' 127(2) . . ?
B3' B8' H8' 117(3) . . ?
B3' B8' B4' 60.6(3) . . ?
B3' B8' B7' 60.4(3) . . ?
B3' B8' B9' 108.6(4) . . ?
B3' B8' B12' 108.4(4) . . ?
B4' B8' H8' 117(2) . . ?
B4' B8' B9' 60.0(3) . . ?
B4' B8' B12' 107.8(4) . . ?
B7' B8' H8' 124(2) . . ?
B7' B8' B4' 108.5(4) . . ?
B7' B8' B9' 107.8(4) . . ?
B7' B8' B12' 59.9(3) . . ?
B9' B8' H8' 122(2) . . ?
B9' B8' B12' 59.7(3) . . ?
B12' B8' H8' 127(3) . . ?
B4' B9' B5' 60.1(3) . . ?
B4' B9' B8' 59.7(3) . . ?
B4' B9' H9' 118(2) . . ?
B4' B9' B10' 108.1(3) . . ?
B5' B9' B8' 107.6(4) . . ?
B5' B9' H9' 118(2) . . ?
B5' B9' B10' 59.7(3) . . ?
B8' B9' H9' 124(2) . . ?
B8' B9' B10' 108.3(4) . . ?
B10' B9' H9' 122(2) . . ?
B12' B9' B4' 108.1(4) . . ?
B12' B9' B5' 107.8(4) . . ?
B12' B9' B8' 60.2(3) . . ?
B12' B9' H9' 126(2) . . ?
B12' B9' B10' 60.2(3) . . ?
B5' B10' B9' 60.0(3) . . ?
B5' B10' H10' 123(2) . . ?
B5' B10' B11' 107.6(4) . . ?
B5' B10' B12' 107.5(4) . . ?
B6' B10' B5' 60.1(3) . . ?
B6' B10' B9' 108.3(4) . . ?
B6' B10' H10' 124(2) . . ?
B6' B10' B11' 60.3(3) . . ?
B6' B10' B12' 108.1(4) . . ?
B9' B10' H10' 119(2) . . ?
B9' B10' B12' 59.6(3) . . ?
B11' B10' B9' 107.2(4) . . ?
B11' B10' H10' 123(2) . . ?
B11' B10' B12' 59.4(3) . . ?
B12' B10' H10' 120(2) . . ?
C2' B11' B6' 59.5(3) . . ?
C2' B11' B7' 58.8(3) . . ?
C2' B11' H11' 115(2) . . ?
C2' B11' B10' 104.5(3) . . ?
C2' B11' B12' 104.8(4) . . ?
B6' B11' H11' 118(2) . . ?
B6' B11' B10' 59.0(3) . . ?
B7' B11' B6' 108.9(3) . . ?
B7' B11' H11' 117(2) . . ?
B7' B11' B10' 108.5(4) . . ?
B10' B11' H11' 130(2) . . ?
B12' B11' B6' 107.9(4) . . ?
B12' B11' B7' 60.1(3) . . ?
B12' B11' H11' 130(2) . . ?
B12' B11' B10' 60.4(3) . . ?
B7' B12' B8' 59.7(3) . . ?
B7' B12' B9' 108.0(4) . . ?
B7' B12' H12' 123(2) . . ?
B7' B12' B10' 108.3(4) . . ?
B8' B12' H12' 123(2) . . ?
B8' B12' B10' 108.1(4) . . ?
B9' B12' B8' 60.1(3) . . ?
B9' B12' H12' 121(2) . . ?
B9' B12' B10' 60.1(3) . . ?
B10' B12' H12' 120(2) . . ?
B11' B12' B7' 60.0(3) . . ?
B11' B12' B8' 107.7(4) . . ?
B11' B12' B9' 108.2(4) . . ?
B11' B12' H12' 121(2) . . ?
B11' B12' B10' 60.2(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 B3 B4 38.8(3) . . . . ?
C1 C2 B3 B7 135.8(3) . . . . ?
C1 C2 B3 B8 100.5(4) . . . . ?
C1 C2 B6 B5 -37.8(3) . . . . ?
C1 C2 B6 B10 -100.2(4) . . . . ?
C1 C2 B6 B11 -135.4(3) . . . . ?
C1 C2 B7 B3 -36.1(3) . . . . ?
C1 C2 B7 B8 0.8(4) . . . . ?
C1 C2 B7 B11 100.9(3) . . . . ?
C1 C2 B7 B12 64.9(4) . . . . ?
C1 C2 B11 B6 37.2(3) . . . . ?
C1 C2 B11 B7 -99.2(3) . . . . ?
C1 C2 B11 B10 1.0(4) . . . . ?
C1 C2 B11 B12 -63.0(4) . . . . ?
C1 C2 N21 O22 -103.1(3) . . . . ?
C1 C2 N21 C26 124.2(4) . . . . ?
C1 B3 B4 B5 35.8(3) . . . . ?
C1 B3 B4 B8 138.2(4) . . . . ?
C1 B3 B4 B9 98.4(4) . . . . ?
C1 B3 B7 C2 43.7(3) . . . . ?
C1 B3 B7 B8 -95.4(4) . . . . ?
C1 B3 B7 B11 7.0(5) . . . . ?
C1 B3 B7 B12 -55.8(4) . . . . ?
C1 B3 B8 B4 -35.5(3) . . . . ?
C1 B3 B8 B7 105.3(4) . . . . ?
C1 B3 B8 B9 3.7(4) . . . . ?
C1 B3 B8 B12 65.9(4) . . . . ?
C1 B4 B5 B6 36.7(3) . . . . ?
C1 B4 B5 B9 137.4(4) . . . . ?
C1 B4 B5 B10 99.0(4) . . . . ?
C1 B4 B8 B3 36.3(3) . . . . ?
C1 B4 B8 B7 -0.1(5) . . . . ?
C1 B4 B8 B9 -99.4(4) . . . . ?
C1 B4 B8 B12 -64.5(4) . . . . ?
C1 B4 B9 B5 -36.8(3) . . . . ?
C1 B4 B9 B8 100.6(4) . . . . ?
C1 B4 B9 B10 1.0(5) . . . . ?
C1 B4 B9 B12 64.9(4) . . . . ?
C1 B5 B6 C2 42.6(3) . . . . ?
C1 B5 B6 B10 137.7(4) . . . . ?
C1 B5 B6 B11 102.7(4) . . . . ?
C1 B5 B9 B4 36.7(3) . . . . ?
C1 B5 B9 B8 -0.8(5) . . . . ?
C1 B5 B9 B10 -100.5(4) . . . . ?
C1 B5 B9 B12 -64.6(5) . . . . ?
C1 B5 B10 B6 -37.3(3) . . . . ?
C1 B5 B10 B9 99.3(4) . . . . ?
C1 B5 B10 B11 -0.4(5) . . . . ?
C1 B5 B10 B12 64.0(5) . . . . ?
C1 B6 B10 B5 35.7(3) . . . . ?
C1 B6 B10 B9 -3.0(5) . . . . ?
C1 B6 B10 B11 -104.7(4) . . . . ?
C1 B6 B10 B12 -65.6(4) . . . . ?
C1 B6 B11 C2 -43.8(3) . . . . ?
C1 B6 B11 B7 -6.2(5) . . . . ?
C1 B6 B11 B10 95.7(4) . . . . ?
C1 B6 B11 B12 56.7(4) . . . . ?
C1 C1' C2' B3' 103.4(4) . . . . ?
C1 C1' C2' B6' -111.4(4) . . . . ?
C1 C1' C2' B7' 141.6(4) . . . . ?
C1 C1' C2' B11' -149.8(4) . . . . ?
C1 C1' B3' C2' -109.2(4) . . . . ?
C1 C1' B3' B4' 113.5(4) . . . . ?
C1 C1' B3' B7' -143.9(4) . . . . ?
C1 C1' B3' B8' 153.4(4) . . . . ?
C1 C1' B4' B3' -102.1(4) . . . . ?
C1 C1' B4' B5' 116.6(4) . . . . ?
C1 C1' B4' B8' -141.4(4) . . . . ?
C1 C1' B4' B9' 156.0(4) . . . . ?
C1 C1' B5' B4' -109.7(5) . . . . ?
C1 C1' B5' B6' 108.7(4) . . . . ?
C1 C1' B5' B9' -149.2(4) . . . . ?
C1 C1' B5' B10' 147.9(4) . . . . ?
C1 C1' B6' C2' 106.5(4) . . . . ?
C1 C1' B6' B5' -116.4(4) . . . . ?
C1 C1' B6' B10' -156.0(4) . . . . ?
C1 C1' B6' B11' 140.9(4) . . . . ?
C2 C1 B3 B4 -136.2(3) . . . . ?
C2 C1 B3 B7 -38.4(3) . . . . ?
C2 C1 B3 B8 -100.0(3) . . . . ?
C2 C1 B4 B3 37.7(3) . . . . ?
C2 C1 B4 B5 -100.8(3) . . . . ?
C2 C1 B4 B8 0.6(4) . . . . ?
C2 C1 B4 B9 -63.3(4) . . . . ?
C2 C1 B5 B4 102.0(3) . . . . ?
C2 C1 B5 B6 -36.2(3) . . . . ?
C2 C1 B5 B9 64.4(4) . . . . ?
C2 C1 B5 B10 1.0(4) . . . . ?
C2 C1 B6 B5 137.2(3) . . . . ?
C2 C1 B6 B10 100.4(4) . . . . ?
C2 C1 B6 B11 38.4(3) . . . . ?
C2 C1 C1' C2' 108.1(4) . . . . ?
C2 C1 C1' B3' 176.3(3) . . . . ?
C2 C1 C1' B4' -113.8(4) . . . . ?
C2 C1 C1' B5' -37.6(6) . . . . ?
C2 C1 C1' B6' 37.3(5) . . . . ?
C2 B3 B4 C1 -43.7(3) . . . . ?
C2 B3 B4 B5 -7.9(4) . . . . ?
C2 B3 B4 B8 94.5(4) . . . . ?
C2 B3 B4 B9 54.7(4) . . . . ?
C2 B3 B7 B8 -139.1(4) . . . . ?
C2 B3 B7 B11 -36.8(3) . . . . ?
C2 B3 B7 B12 -99.5(4) . . . . ?
C2 B3 B8 B4 -106.4(4) . . . . ?
C2 B3 B8 B7 34.4(3) . . . . ?
C2 B3 B8 B9 -67.2(4) . . . . ?
C2 B3 B8 B12 -5.1(4) . . . . ?
C2 B6 B10 B5 106.4(4) . . . . ?
C2 B6 B10 B9 67.7(4) . . . . ?
C2 B6 B10 B11 -34.0(3) . . . . ?
C2 B6 B10 B12 5.1(5) . . . . ?
C2 B6 B11 B7 37.6(3) . . . . ?
C2 B6 B11 B10 139.5(4) . . . . ?
C2 B6 B11 B12 100.5(4) . . . . ?
C2 B7 B8 B3 -36.9(3) . . . . ?
C2 B7 B8 B4 -0.5(5) . . . . ?
C2 B7 B8 B9 63.4(4) . . . . ?
C2 B7 B8 B12 98.9(4) . . . . ?
C2 B7 B11 B6 -38.4(3) . . . . ?
C2 B7 B11 B10 -100.9(4) . . . . ?
C2 B7 B11 B12 -139.4(4) . . . . ?
C2 B7 B12 B8 -102.7(4) . . . . ?
C2 B7 B12 B9 -66.3(4) . . . . ?
C2 B7 B12 B10 -2.6(5) . . . . ?
C2 B7 B12 B11 35.0(3) . . . . ?
C2 B11 B12 B7 -35.5(3) . . . . ?
C2 B11 B12 B8 1.6(5) . . . . ?
C2 B11 B12 B9 65.7(5) . . . . ?
C2 B11 B12 B10 101.6(4) . . . . ?
C2 N21 O22 C23 -141.6(3) . . . . ?
C2 N21 C26 C25 -164.7(4) . . . . ?
C2 N21 C26 C27 79.9(5) . . . . ?
B3 C1 B4 B5 -138.5(4) . . . . ?
B3 C1 B4 B8 -37.1(3) . . . . ?
B3 C1 B4 B9 -101.0(4) . . . . ?
B3 C1 B5 B4 40.9(3) . . . . ?
B3 C1 B5 B6 -97.3(4) . . . . ?
B3 C1 B5 B9 3.4(5) . . . . ?
B3 C1 B5 B10 -60.1(5) . . . . ?
B3 C1 B6 C2 -27.9(3) . . . . ?
B3 C1 B6 B5 109.3(4) . . . . ?
B3 C1 B6 B10 72.5(4) . . . . ?
B3 C1 B6 B11 10.5(4) . . . . ?
B3 C1 C1' C2' 173.7(3) . . . . ?
B3 C1 C1' B3' -118.0(4) . . . . ?
B3 C1 C1' B4' -48.2(5) . . . . ?
B3 C1 C1' B5' 28.0(6) . . . . ?
B3 C1 C1' B6' 102.9(4) . . . . ?
B3 C2 B6 C1 26.7(3) . . . . ?
B3 C2 B6 B5 -11.1(4) . . . . ?
B3 C2 B6 B10 -73.5(4) . . . . ?
B3 C2 B6 B11 -108.7(4) . . . . ?
B3 C2 B7 B8 36.9(3) . . . . ?
B3 C2 B7 B11 137.0(4) . . . . ?
B3 C2 B7 B12 101.0(4) . . . . ?
B3 C2 B11 B6 95.1(4) . . . . ?
B3 C2 B11 B7 -41.3(3) . . . . ?
B3 C2 B11 B10 58.9(4) . . . . ?
B3 C2 B11 B12 -5.1(5) . . . . ?
B3 C2 N21 O22 -164.7(3) . . . . ?
B3 C2 N21 C26 62.7(5) . . . . ?
B3 B4 B5 C1 -35.8(3) . . . . ?
B3 B4 B5 B6 0.9(4) . . . . ?
B3 B4 B5 B9 101.6(4) . . . . ?
B3 B4 B5 B10 63.2(4) . . . . ?
B3 B4 B8 B7 -36.5(3) . . . . ?
B3 B4 B8 B9 -135.8(4) . . . . ?
B3 B4 B8 B12 -100.8(4) . . . . ?
B3 B4 B9 B5 -98.0(4) . . . . ?
B3 B4 B9 B8 39.3(3) . . . . ?
B3 B4 B9 B10 -60.2(4) . . . . ?
B3 B4 B9 B12 3.7(5) . . . . ?
B3 B7 B8 B4 36.4(3) . . . . ?
B3 B7 B8 B9 100.4(4) . . . . ?
B3 B7 B8 B12 135.8(4) . . . . ?
B3 B7 B11 C2 38.0(3) . . . . ?
B3 B7 B11 B6 -0.4(5) . . . . ?
B3 B7 B11 B10 -62.8(4) . . . . ?
B3 B7 B11 B12 -101.3(4) . . . . ?
B3 B7 B12 B8 -39.3(3) . . . . ?
B3 B7 B12 B9 -3.0(5) . . . . ?
B3 B7 B12 B10 60.8(4) . . . . ?
B3 B7 B12 B11 98.4(4) . . . . ?
B3 B8 B9 B4 -39.9(3) . . . . ?
B3 B8 B9 B5 -1.9(5) . . . . ?
B3 B8 B9 B10 60.6(4) . . . . ?
B3 B8 B9 B12 100.7(4) . . . . ?
B3 B8 B12 B7 39.9(3) . . . . ?
B3 B8 B12 B9 -100.0(4) . . . . ?
B3 B8 B12 B10 -59.8(5) . . . . ?
B3 B8 B12 B11 2.3(5) . . . . ?
B4 C1 B3 C2 136.2(3) . . . . ?
B4 C1 B3 B7 97.8(4) . . . . ?
B4 C1 B3 B8 36.1(3) . . . . ?
B4 C1 B5 B6 -138.2(3) . . . . ?
B4 C1 B5 B9 -37.5(3) . . . . ?
B4 C1 B5 B10 -101.0(4) . . . . ?
B4 C1 B6 C2 -96.6(4) . . . . ?
B4 C1 B6 B5 40.6(3) . . . . ?
B4 C1 B6 B10 3.8(5) . . . . ?
B4 C1 B6 B11 -58.1(4) . . . . ?
B4 C1 C1' C2' -111.2(4) . . . . ?
B4 C1 C1' B3' -43.0(5) . . . . ?
B4 C1 C1' B4' 26.9(6) . . . . ?
B4 C1 C1' B5' 103.1(5) . . . . ?
B4 C1 C1' B6' 177.9(4) . . . . ?
B4 B3 B7 C2 104.6(4) . . . . ?
B4 B3 B7 B8 -34.4(3) . . . . ?
B4 B3 B7 B11 67.9(4) . . . . ?
B4 B3 B7 B12 5.2(5) . . . . ?
B4 B3 B8 B7 140.8(4) . . . . ?
B4 B3 B8 B9 39.2(3) . . . . ?
B4 B3 B8 B12 101.4(4) . . . . ?
B4 B5 B6 C1 -36.1(3) . . . . ?
B4 B5 B6 C2 6.5(5) . . . . ?
B4 B5 B6 B10 101.6(4) . . . . ?
B4 B5 B6 B11 66.6(4) . . . . ?
B4 B5 B9 B8 -37.5(3) . . . . ?
B4 B5 B9 B10 -137.3(4) . . . . ?
B4 B5 B9 B12 -101.3(4) . . . . ?
B4 B5 B10 B6 -98.5(4) . . . . ?
B4 B5 B10 B9 38.1(4) . . . . ?
B4 B5 B10 B11 -61.6(5) . . . . ?
B4 B5 B10 B12 2.8(5) . . . . ?
B4 B8 B9 B5 38.0(3) . . . . ?
B4 B8 B9 B10 100.5(4) . . . . ?
B4 B8 B9 B12 140.6(4) . . . . ?
B4 B8 B12 B7 104.6(4) . . . . ?
B4 B8 B12 B9 -35.3(3) . . . . ?
B4 B8 B12 B10 4.9(5) . . . . ?
B4 B8 B12 B11 67.0(4) . . . . ?
B4 B9 B10 B5 -38.1(4) . . . . ?
B4 B9 B10 B6 1.3(5) . . . . ?
B4 B9 B10 B11 66.4(4) . . . . ?
B4 B9 B10 B12 102.2(4) . . . . ?
B4 B9 B12 B7 -0.4(5) . . . . ?
B4 B9 B12 B8 35.2(3) . . . . ?
B4 B9 B12 B10 -99.7(4) . . . . ?
B4 B9 B12 B11 -64.2(5) . . . . ?
B5 C1 B3 C2 95.5(4) . . . . ?
B5 C1 B3 B4 -40.6(3) . . . . ?
B5 C1 B3 B7 57.1(5) . . . . ?
B5 C1 B3 B8 -4.5(5) . . . . ?
B5 C1 B4 B3 138.5(4) . . . . ?
B5 C1 B4 B8 101.4(4) . . . . ?
B5 C1 B4 B9 37.5(3) . . . . ?
B5 C1 B6 C2 -137.2(3) . . . . ?
B5 C1 B6 B10 -36.8(3) . . . . ?
B5 C1 B6 B11 -98.8(4) . . . . ?
B5 C1 C1' C2' -33.6(6) . . . . ?
B5 C1 C1' B3' 34.6(5) . . . . ?
B5 C1 C1' B4' 104.5(5) . . . . ?
B5 C1 C1' B5' -179.3(4) . . . . ?
B5 C1 C1' B6' -104.5(5) . . . . ?
B5 B4 B8 B3 97.7(4) . . . . ?
B5 B4 B8 B7 61.2(5) . . . . ?
B5 B4 B8 B9 -38.1(4) . . . . ?
B5 B4 B8 B12 -3.2(5) . . . . ?
B5 B4 B9 B8 137.3(4) . . . . ?
B5 B4 B9 B10 37.8(4) . . . . ?
B5 B4 B9 B12 101.6(4) . . . . ?
B5 B6 B10 B9 -38.7(4) . . . . ?
B5 B6 B10 B11 -140.5(4) . . . . ?
B5 B6 B10 B12 -101.4(4) . . . . ?
B5 B6 B11 C2 -104.4(4) . . . . ?
B5 B6 B11 B7 -66.7(4) . . . . ?
B5 B6 B11 B10 35.1(3) . . . . ?
B5 B6 B11 B12 -3.9(5) . . . . ?
B5 B9 B10 B6 39.4(3) . . . . ?
B5 B9 B10 B11 104.5(4) . . . . ?
B5 B9 B10 B12 140.4(4) . . . . ?
B5 B9 B12 B7 63.7(5) . . . . ?
B5 B9 B12 B8 99.3(4) . . . . ?
B5 B9 B12 B10 -35.6(4) . . . . ?
B5 B9 B12 B11 -0.1(5) . . . . ?
B5 B10 B11 C2 -0.5(5) . . . . ?
B5 B10 B11 B6 -36.9(4) . . . . ?
B5 B10 B11 B7 61.3(5) . . . . ?
B5 B10 B11 B12 99.5(4) . . . . ?
B5 B10 B12 B7 -66.7(5) . . . . ?
B5 B10 B12 B8 -4.7(5) . . . . ?
B5 B10 B12 B9 35.6(4) . . . . ?
B5 B10 B12 B11 -104.7(4) . . . . ?
B6 C1 B3 C2 27.6(3) . . . . ?
B6 C1 B3 B4 -108.6(4) . . . . ?
B6 C1 B3 B7 -10.8(4) . . . . ?
B6 C1 B3 B8 -72.4(4) . . . . ?
B6 C1 B4 B3 97.9(4) . . . . ?
B6 C1 B4 B5 -40.6(3) . . . . ?
B6 C1 B4 B8 60.8(4) . . . . ?
B6 C1 B4 B9 -3.1(5) . . . . ?
B6 C1 B5 B4 138.2(3) . . . . ?
B6 C1 B5 B9 100.7(4) . . . . ?
B6 C1 B5 B10 37.2(3) . . . . ?
B6 C1 C1' C2' 42.5(5) . . . . ?
B6 C1 C1' B3' 110.8(4) . . . . ?
B6 C1 C1' B4' -179.3(3) . . . . ?
B6 C1 C1' B5' -103.2(5) . . . . ?
B6 C1 C1' B6' -28.3(5) . . . . ?
B6 C2 B3 C1 -27.1(3) . . . . ?
B6 C2 B3 B4 11.6(4) . . . . ?
B6 C2 B3 B7 108.7(4) . . . . ?
B6 C2 B3 B8 73.4(4) . . . . ?
B6 C2 B7 B3 -94.9(4) . . . . ?
B6 C2 B7 B8 -58.0(4) . . . . ?
B6 C2 B7 B11 42.1(3) . . . . ?
B6 C2 B7 B12 6.1(4) . . . . ?
B6 C2 B11 B7 -136.4(4) . . . . ?
B6 C2 B11 B10 -36.2(3) . . . . ?
B6 C2 B11 B12 -100.2(4) . . . . ?
B6 C2 N21 O22 -39.5(5) . . . . ?
B6 C2 N21 C26 -172.2(3) . . . . ?
B6 B5 B9 B4 99.1(4) . . . . ?
B6 B5 B9 B8 61.6(4) . . . . ?
B6 B5 B9 B10 -38.2(3) . . . . ?
B6 B5 B9 B12 -2.3(5) . . . . ?
B6 B5 B10 B9 136.6(4) . . . . ?
B6 B5 B10 B11 36.9(4) . . . . ?
B6 B5 B10 B12 101.3(4) . . . . ?
B6 B10 B11 C2 36.4(3) . . . . ?
B6 B10 B11 B7 98.2(4) . . . . ?
B6 B10 B11 B12 136.4(4) . . . . ?
B6 B10 B12 B7 -1.7(5) . . . . ?
B6 B10 B12 B8 60.3(5) . . . . ?
B6 B10 B12 B9 100.6(4) . . . . ?
B6 B10 B12 B11 -39.7(3) . . . . ?
B6 B11 B12 B7 -98.7(4) . . . . ?
B6 B11 B12 B8 -61.6(4) . . . . ?
B6 B11 B12 B9 2.5(5) . . . . ?
B6 B11 B12 B10 38.5(3) . . . . ?
B7 C2 B3 C1 -135.8(3) . . . . ?
B7 C2 B3 B4 -97.1(4) . . . . ?
B7 C2 B3 B8 -35.3(3) . . . . ?
B7 C2 B6 C1 93.2(3) . . . . ?
B7 C2 B6 B5 55.4(4) . . . . ?
B7 C2 B6 B10 -7.0(4) . . . . ?
B7 C2 B6 B11 -42.3(3) . . . . ?
B7 C2 B11 B6 136.4(4) . . . . ?
B7 C2 B11 B10 100.2(4) . . . . ?
B7 C2 B11 B12 36.2(3) . . . . ?
B7 C2 N21 O22 120.8(4) . . . . ?
B7 C2 N21 C26 -11.9(6) . . . . ?
B7 B3 B4 C1 -103.8(4) . . . . ?
B7 B3 B4 B5 -68.1(4) . . . . ?
B7 B3 B4 B8 34.4(3) . . . . ?
B7 B3 B4 B9 -5.4(5) . . . . ?
B7 B3 B8 B4 -140.8(4) . . . . ?
B7 B3 B8 B9 -101.6(4) . . . . ?
B7 B3 B8 B12 -39.5(3) . . . . ?
B7 B8 B9 B4 -104.5(4) . . . . ?
B7 B8 B9 B5 -66.5(4) . . . . ?
B7 B8 B9 B10 -4.0(5) . . . . ?
B7 B8 B9 B12 36.0(3) . . . . ?
B7 B8 B12 B9 -139.9(4) . . . . ?
B7 B8 B12 B10 -99.8(4) . . . . ?
B7 B8 B12 B11 -37.6(3) . . . . ?
B7 B11 B12 B8 37.1(3) . . . . ?
B7 B11 B12 B9 101.2(4) . . . . ?
B7 B11 B12 B10 137.2(4) . . . . ?
B8 B3 B4 C1 -138.2(4) . . . . ?
B8 B3 B4 B5 -102.5(4) . . . . ?
B8 B3 B4 B9 -39.8(3) . . . . ?
B8 B3 B7 C2 139.1(4) . . . . ?
B8 B3 B7 B11 102.3(4) . . . . ?
B8 B3 B7 B12 39.6(3) . . . . ?
B8 B4 B5 C1 -98.8(4) . . . . ?
B8 B4 B5 B6 -62.1(4) . . . . ?
B8 B4 B5 B9 38.6(4) . . . . ?
B8 B4 B5 B10 0.2(5) . . . . ?
B8 B4 B9 B5 -137.3(4) . . . . ?
B8 B4 B9 B10 -99.5(4) . . . . ?
B8 B4 B9 B12 -35.7(4) . . . . ?
B8 B7 B11 C2 101.1(4) . . . . ?
B8 B7 B11 B6 62.7(4) . . . . ?
B8 B7 B11 B10 0.3(5) . . . . ?
B8 B7 B11 B12 -38.2(3) . . . . ?
B8 B7 B12 B9 36.3(4) . . . . ?
B8 B7 B12 B10 100.1(4) . . . . ?
B8 B7 B12 B11 137.7(4) . . . . ?
B8 B9 B10 B5 -100.3(4) . . . . ?
B8 B9 B10 B6 -60.9(4) . . . . ?
B8 B9 B10 B11 4.2(5) . . . . ?
B8 B9 B10 B12 40.1(3) . . . . ?
B8 B9 B12 B7 -35.6(4) . . . . ?
B8 B9 B12 B10 -134.8(4) . . . . ?
B8 B9 B12 B11 -99.4(4) . . . . ?
B9 B4 B5 C1 -137.4(4) . . . . ?
B9 B4 B5 B6 -100.7(4) . . . . ?
B9 B4 B5 B10 -38.4(4) . . . . ?
B9 B4 B8 B3 135.8(4) . . . . ?
B9 B4 B8 B7 99.3(4) . . . . ?
B9 B4 B8 B12 34.9(4) . . . . ?
B9 B5 B6 C1 -98.9(4) . . . . ?
B9 B5 B6 C2 -56.3(4) . . . . ?
B9 B5 B6 B10 38.8(4) . . . . ?
B9 B5 B6 B11 3.8(5) . . . . ?
B9 B5 B10 B6 -136.6(4) . . . . ?
B9 B5 B10 B11 -99.7(4) . . . . ?
B9 B5 B10 B12 -35.3(4) . . . . ?
B9 B8 B12 B7 139.9(4) . . . . ?
B9 B8 B12 B10 40.2(4) . . . . ?
B9 B8 B12 B11 102.3(4) . . . . ?
B9 B10 B11 C2 -64.6(4) . . . . ?
B9 B10 B11 B6 -101.0(4) . . . . ?
B9 B10 B11 B7 -2.8(5) . . . . ?
B9 B10 B11 B12 35.4(3) . . . . ?
B9 B10 B12 B7 -102.2(4) . . . . ?
B9 B10 B12 B8 -40.3(4) . . . . ?
B9 B10 B12 B11 -140.2(4) . . . . ?
B10 B5 B6 C1 -137.7(4) . . . . ?
B10 B5 B6 C2 -95.1(4) . . . . ?
B10 B5 B6 B11 -35.0(3) . . . . ?
B10 B5 B9 B4 137.3(4) . . . . ?
B10 B5 B9 B8 99.8(4) . . . . ?
B10 B5 B9 B12 35.9(4) . . . . ?
B10 B6 B11 C2 -139.5(4) . . . . ?
B10 B6 B11 B7 -101.8(4) . . . . ?
B10 B6 B11 B12 -39.0(4) . . . . ?
B10 B9 B12 B7 99.2(4) . . . . ?
B10 B9 B12 B8 134.8(4) . . . . ?
B10 B9 B12 B11 35.4(4) . . . . ?
B10 B11 B12 B7 -137.2(4) . . . . ?
B10 B11 B12 B8 -100.1(4) . . . . ?
B10 B11 B12 B9 -36.0(4) . . . . ?
B11 C2 B3 C1 -94.1(4) . . . . ?
B11 C2 B3 B4 -55.3(4) . . . . ?
B11 C2 B3 B7 41.7(4) . . . . ?
B11 C2 B3 B8 6.4(4) . . . . ?
B11 C2 B6 C1 135.4(3) . . . . ?
B11 C2 B6 B5 97.7(4) . . . . ?
B11 C2 B6 B10 35.2(3) . . . . ?
B11 C2 B7 B3 -137.0(4) . . . . ?
B11 C2 B7 B8 -100.1(4) . . . . ?
B11 C2 B7 B12 -36.0(3) . . . . ?
B11 C2 N21 O22 37.8(6) . . . . ?
B11 C2 N21 C26 -94.9(5) . . . . ?
B11 B6 B10 B5 140.5(4) . . . . ?
B11 B6 B10 B9 101.8(4) . . . . ?
B11 B6 B10 B12 39.1(4) . . . . ?
B11 B7 B8 B3 -98.0(4) . . . . ?
B11 B7 B8 B4 -61.6(5) . . . . ?
B11 B7 B8 B9 2.4(5) . . . . ?
B11 B7 B8 B12 37.8(3) . . . . ?
B11 B7 B12 B8 -137.7(4) . . . . ?
B11 B7 B12 B9 -101.3(4) . . . . ?
B11 B7 B12 B10 -37.6(3) . . . . ?
B11 B10 B12 B7 38.0(3) . . . . ?
B11 B10 B12 B8 99.9(4) . . . . ?
B11 B10 B12 B9 140.2(4) . . . . ?
B12 B7 B8 B3 -135.8(4) . . . . ?
B12 B7 B8 B4 -99.4(4) . . . . ?
B12 B7 B8 B9 -35.5(3) . . . . ?
B12 B7 B11 C2 139.4(4) . . . . ?
B12 B7 B11 B6 101.0(4) . . . . ?
B12 B7 B11 B10 38.5(3) . . . . ?
B12 B8 B9 B4 -140.6(4) . . . . ?
B12 B8 B9 B5 -102.6(4) . . . . ?
B12 B8 B9 B10 -40.1(3) . . . . ?
B12 B9 B10 B5 -140.4(4) . . . . ?
B12 B9 B10 B6 -101.0(4) . . . . ?
B12 B9 B10 B11 -35.9(4) . . . . ?
B12 B10 B11 C2 -100.0(4) . . . . ?
B12 B10 B11 B6 -136.4(4) . . . . ?
B12 B10 B11 B7 -38.2(3) . . . . ?
N21 C2 B3 C1 105.0(4) . . . . ?
N21 C2 B3 B4 143.8(4) . . . . ?
N21 C2 B3 B7 -119.2(4) . . . . ?
N21 C2 B3 B8 -154.5(4) . . . . ?
N21 C2 B6 C1 -104.0(4) . . . . ?
N21 C2 B6 B5 -141.8(4) . . . . ?
N21 C2 B6 B10 155.7(4) . . . . ?
N21 C2 B6 B11 120.5(4) . . . . ?
N21 C2 B7 B3 103.9(5) . . . . ?
N21 C2 B7 B8 140.8(4) . . . . ?
N21 C2 B7 B11 -119.1(5) . . . . ?
N21 C2 B7 B12 -155.1(4) . . . . ?
N21 C2 B11 B6 -106.8(5) . . . . ?
N21 C2 B11 B7 116.8(5) . . . . ?
N21 C2 B11 B10 -142.9(4) . . . . ?
N21 C2 B11 B12 153.1(4) . . . . ?
N21 O22 C23 C24 -59.2(4) . . . . ?
N21 O22 C23 C28 59.9(4) . . . . ?
N21 C26 C27 C28 53.8(5) . . . . ?
O22 N21 C26 C25 63.9(4) . . . . ?
O22 N21 C26 C27 -51.5(5) . . . . ?
O22 C23 C24 C25 62.5(5) . . . . ?
O22 C23 C28 C27 -60.0(5) . . . . ?
C23 C24 C25 C26 -2.0(5) . . . . ?
C24 C23 C28 C27 58.1(5) . . . . ?
C24 C25 C26 N21 -58.1(5) . . . . ?
C24 C25 C26 C27 58.3(5) . . . . ?
C25 C26 C27 C28 -60.3(5) . . . . ?
C26 N21 O22 C23 -4.6(4) . . . . ?
C26 C27 C28 C23 1.6(6) . . . . ?
C28 C23 C24 C25 -55.5(5) . . . . ?
C1' C1 B3 C2 -109.3(4) . . . . ?
C1' C1 B3 B4 114.5(4) . . . . ?
C1' C1 B3 B7 -147.7(4) . . . . ?
C1' C1 B3 B8 150.6(4) . . . . ?
C1' C1 B4 B3 -106.9(4) . . . . ?
C1' C1 B4 B5 114.6(4) . . . . ?
C1' C1 B4 B8 -144.0(4) . . . . ?
C1' C1 B4 B9 152.1(4) . . . . ?
C1' C1 B5 B4 -112.4(4) . . . . ?
C1' C1 B5 B6 109.4(4) . . . . ?
C1' C1 B5 B9 -149.9(4) . . . . ?
C1' C1 B5 B10 146.6(4) . . . . ?
C1' C1 B6 C2 107.6(4) . . . . ?
C1' C1 B6 B5 -115.2(4) . . . . ?
C1' C1 B6 B10 -152.0(4) . . . . ?
C1' C1 B6 B11 146.0(4) . . . . ?
C1' C2' B3' B4' 36.5(3) . . . . ?
C1' C2' B3' B7' 139.7(4) . . . . ?
C1' C2' B3' B8' 99.0(4) . . . . ?
C1' C2' B6' B5' -36.6(3) . . . . ?
C1' C2' B6' B10' -99.2(3) . . . . ?
C1' C2' B6' B11' -139.7(3) . . . . ?
C1' C2' B7' B3' -38.3(3) . . . . ?
C1' C2' B7' B8' 1.8(5) . . . . ?
C1' C2' B7' B11' 104.6(4) . . . . ?
C1' C2' B7' B12' 64.4(4) . . . . ?
C1' C2' B11' B6' 38.2(3) . . . . ?
C1' C2' B11' B7' -104.6(4) . . . . ?
C1' C2' B11' B10' -1.5(4) . . . . ?
C1' C2' B11' B12' -64.1(4) . . . . ?
C1' B3' B4' B5' 34.1(3) . . . . ?
C1' B3' B4' B8' 134.6(4) . . . . ?
C1' B3' B4' B9' 97.5(4) . . . . ?
C1' B3' B7' C2' 34.0(3) . . . . ?
C1' B3' B7' B8' -99.4(4) . . . . ?
C1' B3' B7' B11' 1.2(5) . . . . ?
C1' B3' B7' B12' -62.2(4) . . . . ?
C1' B3' B8' B4' -39.0(3) . . . . ?
C1' B3' B8' B7' 98.6(4) . . . . ?
C1' B3' B8' B9' -1.8(5) . . . . ?
C1' B3' B8' B12' 61.5(4) . . . . ?
C1' B4' B5' B6' 34.8(3) . . . . ?
C1' B4' B5' B9' 135.0(4) . . . . ?
C1' B4' B5' B10' 97.8(4) . . . . ?
C1' B4' B8' B3' 39.7(3) . . . . ?
C1' B4' B8' B7' 1.5(5) . . . . ?
C1' B4' B8' B9' -98.9(4) . . . . ?
C1' B4' B8' B12' -61.9(4) . . . . ?
C1' B4' B9' B5' -38.6(3) . . . . ?
C1' B4' B9' B8' 99.2(4) . . . . ?
C1' B4' B9' B10' -1.8(4) . . . . ?
C1' B4' B9' B12' 61.9(4) . . . . ?
C1' B5' B6' C2' 35.9(3) . . . . ?
C1' B5' B6' B10' 135.1(4) . . . . ?
C1' B5' B6' B11' 96.2(4) . . . . ?
C1' B5' B9' B4' 39.1(3) . . . . ?
C1' B5' B9' B8' 1.6(5) . . . . ?
C1' B5' B9' B10' -99.7(4) . . . . ?
C1' B5' B9' B12' -61.9(4) . . . . ?
C1' B5' B10' B6' -39.4(3) . . . . ?
C1' B5' B10' B9' 99.2(4) . . . . ?
C1' B5' B10' B11' -0.9(5) . . . . ?
C1' B5' B10' B12' 61.8(4) . . . . ?
C1' B6' B10' B5' 38.6(3) . . . . ?
C1' B6' B10' B9' 1.5(4) . . . . ?
C1' B6' B10' B11' -98.2(4) . . . . ?
C1' B6' B10' B12' -61.6(4) . . . . ?
C1' B6' B11' C2' -34.0(3) . . . . ?
C1' B6' B11' B7' -0.8(4) . . . . ?
C1' B6' B11' B10' 99.9(4) . . . . ?
C1' B6' B11' B12' 62.9(4) . . . . ?
C2' C1' B3' B4' -137.4(4) . . . . ?
C2' C1' B3' B7' -34.7(3) . . . . ?
C2' C1' B3' B8' -97.4(4) . . . . ?
C2' C1' B4' B3' 38.9(3) . . . . ?
C2' C1' B4' B5' -102.4(4) . . . . ?
C2' C1' B4' B8' -0.3(5) . . . . ?
C2' C1' B4' B9' -63.0(4) . . . . ?
C2' C1' B5' B4' 102.3(3) . . . . ?
C2' C1' B5' B6' -39.2(3) . . . . ?
C2' C1' B5' B9' 62.9(4) . . . . ?
C2' C1' B5' B10' 0.0(4) . . . . ?
C2' C1' B6' B5' 137.1(3) . . . . ?
C2' C1' B6' B10' 97.6(4) . . . . ?
C2' C1' B6' B11' 34.5(3) . . . . ?
C2' B3' B4' C1' -35.7(3) . . . . ?
C2' B3' B4' B5' -1.6(4) . . . . ?
C2' B3' B4' B8' 98.9(4) . . . . ?
C2' B3' B4' B9' 61.8(4) . . . . ?
C2' B3' B7' B8' -133.4(4) . . . . ?
C2' B3' B7' B11' -32.8(3) . . . . ?
C2' B3' B7' B12' -96.2(4) . . . . ?
C2' B3' B8' B4' -97.9(4) . . . . ?
C2' B3' B8' B7' 39.7(3) . . . . ?
C2' B3' B8' B9' -60.7(4) . . . . ?
C2' B3' B8' B12' 2.6(5) . . . . ?
C2' B6' B10' B5' 97.7(3) . . . . ?
C2' B6' B10' B9' 60.6(4) . . . . ?
C2' B6' B10' B11' -39.1(3) . . . . ?
C2' B6' B10' B12' -2.5(4) . . . . ?
C2' B6' B11' B7' 33.2(3) . . . . ?
C2' B6' B11' B10' 133.9(4) . . . . ?
C2' B6' B11' B12' 96.9(4) . . . . ?
C2' B7' B8' B3' -40.3(3) . . . . ?
C2' B7' B8' B4' -2.0(5) . . . . ?
C2' B7' B8' B9' 61.5(4) . . . . ?
C2' B7' B8' B12' 98.3(4) . . . . ?
C2' B7' B11' B6' -33.5(3) . . . . ?
C2' B7' B11' B10' -96.1(4) . . . . ?
C2' B7' B11' B12' -133.7(4) . . . . ?
C2' B7' B12' B8' -98.7(4) . . . . ?
C2' B7' B12' B9' -61.6(4) . . . . ?
C2' B7' B12' B10' 2.0(5) . . . . ?
C2' B7' B12' B11' 39.4(3) . . . . ?
C2' B11' B12' B7' -39.8(3) . . . . ?
C2' B11' B12' B8' -2.6(4) . . . . ?
C2' B11' B12' B9' 61.0(4) . . . . ?
C2' B11' B12' B10' 98.6(4) . . . . ?
B3' C1' C2' B6' 145.2(3) . . . . ?
B3' C1' C2' B7' 38.2(4) . . . . ?
B3' C1' C2' B11' 106.8(4) . . . . ?
B3' C1' B4' B5' -141.3(4) . . . . ?
B3' C1' B4' B8' -39.2(3) . . . . ?
B3' C1' B4' B9' -101.9(4) . . . . ?
B3' C1' B5' B4' 36.6(3) . . . . ?
B3' C1' B5' B6' -104.9(4) . . . . ?
B3' C1' B5' B9' -2.9(5) . . . . ?
B3' C1' B5' B10' -65.8(4) . . . . ?
B3' C1' B6' C2' -32.8(3) . . . . ?
B3' C1' B6' B5' 104.3(4) . . . . ?
B3' C1' B6' B10' 64.7(4) . . . . ?
B3' C1' B6' B11' 1.7(4) . . . . ?
B3' C2' B6' C1' 34.0(3) . . . . ?
B3' C2' B6' B5' -2.7(5) . . . . ?
B3' C2' B6' B10' -65.3(4) . . . . ?
B3' C2' B6' B11' -105.8(4) . . . . ?
B3' C2' B7' B8' 40.1(3) . . . . ?
B3' C2' B7' B11' 142.9(4) . . . . ?
B3' C2' B7' B12' 102.7(4) . . . . ?
B3' C2' B11' B6' 106.9(4) . . . . ?
B3' C2' B11' B7' -35.9(4) . . . . ?
B3' C2' B11' B10' 67.2(4) . . . . ?
B3' C2' B11' B12' 4.6(5) . . . . ?
B3' B4' B5' C1' -34.7(3) . . . . ?
B3' B4' B5' B6' 0.1(4) . . . . ?
B3' B4' B5' B9' 100.3(4) . . . . ?
B3' B4' B5' B10' 63.1(4) . . . . ?
B3' B4' B8' B7' -38.2(4) . . . . ?
B3' B4' B8' B9' -138.5(4) . . . . ?
B3' B4' B8' B12' -101.5(4) . . . . ?
B3' B4' B9' B5' -101.2(4) . . . . ?
B3' B4' B9' B8' 36.6(3) . . . . ?
B3' B4' B9' B10' -64.4(4) . . . . ?
B3' B4' B9' B12' -0.7(5) . . . . ?
B3' B7' B8' B4' 38.3(3) . . . . ?
B3' B7' B8' B9' 101.7(4) . . . . ?
B3' B7' B8' B12' 138.6(4) . . . . ?
B3' B7' B11' C2' 33.3(3) . . . . ?
B3' B7' B11' B6' -0.2(5) . . . . ?
B3' B7' B11' B10' -62.9(4) . . . . ?
B3' B7' B11' B12' -100.4(4) . . . . ?
B3' B7' B12' B8' -36.6(3) . . . . ?
B3' B7' B12' B9' 0.5(5) . . . . ?
B3' B7' B12' B10' 64.1(4) . . . . ?
B3' B7' B12' B11' 101.5(4) . . . . ?
B3' B8' B9' B4' -37.5(4) . . . . ?
B3' B8' B9' B5' 0.2(5) . . . . ?
B3' B8' B9' B10' 63.3(4) . . . . ?
B3' B8' B9' B12' 100.9(4) . . . . ?
B3' B8' B12' B7' 37.3(3) . . . . ?
B3' B8' B12' B9' -101.3(4) . . . . ?
B3' B8' B12' B10' -63.7(5) . . . . ?
B3' B8' B12' B11' -0.1(5) . . . . ?
B4' C1' C2' B3' -39.2(3) . . . . ?
B4' C1' C2' B6' 106.0(4) . . . . ?
B4' C1' C2' B7' -1.0(5) . . . . ?
B4' C1' C2' B11' 67.6(4) . . . . ?
B4' C1' B3' C2' 137.4(4) . . . . ?
B4' C1' B3' B7' 102.7(4) . . . . ?
B4' C1' B3' B8' 39.9(3) . . . . ?
B4' C1' B5' B6' -141.5(3) . . . . ?
B4' C1' B5' B9' -39.5(3) . . . . ?
B4' C1' B5' B10' -102.4(4) . . . . ?
B4' C1' B6' C2' -100.4(4) . . . . ?
B4' C1' B6' B5' 36.8(3) . . . . ?
B4' C1' B6' B10' -2.8(4) . . . . ?
B4' C1' B6' B11' -65.9(4) . . . . ?
B4' B3' B7' C2' 95.3(4) . . . . ?
B4' B3' B7' B8' -38.1(3) . . . . ?
B4' B3' B7' B11' 62.4(4) . . . . ?
B4' B3' B7' B12' -0.9(5) . . . . ?
B4' B3' B8' B7' 137.6(4) . . . . ?
B4' B3' B8' B9' 37.2(4) . . . . ?
B4' B3' B8' B12' 100.5(4) . . . . ?
B4' B5' B6' C1' -34.5(3) . . . . ?
B4' B5' B6' C2' 1.5(4) . . . . ?
B4' B5' B6' B10' 100.7(4) . . . . ?
B4' B5' B6' B11' 61.8(4) . . . . ?
B4' B5' B9' B8' -37.5(3) . . . . ?
B4' B5' B9' B10' -138.8(4) . . . . ?
B4' B5' B9' B12' -101.1(4) . . . . ?
B4' B5' B10' B6' -101.7(4) . . . . ?
B4' B5' B10' B9' 37.0(3) . . . . ?
B4' B5' B10' B11' -63.1(4) . . . . ?
B4' B5' B10' B12' -0.4(5) . . . . ?
B4' B8' B9' B5' 37.7(3) . . . . ?
B4' B8' B9' B10' 100.8(4) . . . . ?
B4' B8' B9' B12' 138.4(4) . . . . ?
B4' B8' B12' B7' 101.4(4) . . . . ?
B4' B8' B12' B9' -37.1(3) . . . . ?
B4' B8' B12' B10' 0.5(5) . . . . ?
B4' B8' B12' B11' 64.1(4) . . . . ?
B4' B9' B10' B5' -37.0(3) . . . . ?
B4' B9' B10' B6' 0.2(5) . . . . ?
B4' B9' B10' B11' 63.9(4) . . . . ?
B4' B9' B10' B12' 100.9(4) . . . . ?
B4' B9' B12' B7' 0.1(5) . . . . ?
B4' B9' B12' B8' 37.1(3) . . . . ?
B4' B9' B12' B10' -101.0(4) . . . . ?
B4' B9' B12' B11' -63.4(4) . . . . ?
B5' C1' C2' B3' -105.8(4) . . . . ?
B5' C1' C2' B6' 39.4(3) . . . . ?
B5' C1' C2' B7' -67.6(4) . . . . ?
B5' C1' C2' B11' 1.0(4) . . . . ?
B5' C1' B3' C2' 100.4(4) . . . . ?
B5' C1' B3' B4' -36.9(3) . . . . ?
B5' C1' B3' B7' 65.7(4) . . . . ?
B5' C1' B3' B8' 3.0(5) . . . . ?
B5' C1' B4' B3' 141.3(4) . . . . ?
B5' C1' B4' B8' 102.0(4) . . . . ?
B5' C1' B4' B9' 39.4(3) . . . . ?
B5' C1' B6' C2' -137.1(3) . . . . ?
B5' C1' B6' B10' -39.6(3) . . . . ?
B5' C1' B6' B11' -102.7(4) . . . . ?
B5' B4' B8' B3' 100.8(4) . . . . ?
B5' B4' B8' B7' 62.6(5) . . . . ?
B5' B4' B8' B9' -37.7(3) . . . . ?
B5' B4' B8' B12' -0.7(5) . . . . ?
B5' B4' B9' B8' 137.8(4) . . . . ?
B5' B4' B9' B10' 36.8(3) . . . . ?
B5' B4' B9' B12' 100.5(4) . . . . ?
B5' B6' B10' B9' -37.1(3) . . . . ?
B5' B6' B10' B11' -136.8(4) . . . . ?
B5' B6' B10' B12' -100.2(4) . . . . ?
B5' B6' B11' C2' -95.1(4) . . . . ?
B5' B6' B11' B7' -61.9(4) . . . . ?
B5' B6' B11' B10' 38.8(3) . . . . ?
B5' B6' B11' B12' 1.9(5) . . . . ?
B5' B9' B10' B6' 37.1(3) . . . . ?
B5' B9' B10' B11' 100.8(4) . . . . ?
B5' B9' B10' B12' 137.8(4) . . . . ?
B5' B9' B12' B7' 63.6(5) . . . . ?
B5' B9' B12' B8' 100.6(4) . . . . ?
B5' B9' B12' B10' -37.5(3) . . . . ?
B5' B9' B12' B11' 0.1(5) . . . . ?
B5' B10' B11' C2' 1.4(4) . . . . ?
B5' B10' B11' B6' -38.5(3) . . . . ?
B5' B10' B11' B7' 62.9(4) . . . . ?
B5' B10' B11' B12' 100.3(4) . . . . ?
B5' B10' B12' B7' -63.2(4) . . . . ?
B5' B10' B12' B8' 0.0(5) . . . . ?
B5' B10' B12' B9' 37.6(3) . . . . ?
B5' B10' B12' B11' -100.5(4) . . . . ?
B6' C1' C2' B3' -145.2(3) . . . . ?
B6' C1' C2' B7' -107.0(4) . . . . ?
B6' C1' C2' B11' -38.4(3) . . . . ?
B6' C1' B3' C2' 32.9(3) . . . . ?
B6' C1' B3' B4' -104.5(4) . . . . ?
B6' C1' B3' B7' -1.8(5) . . . . ?
B6' C1' B3' B8' -64.5(4) . . . . ?
B6' C1' B4' B3' 104.8(4) . . . . ?
B6' C1' B4' B5' -36.4(3) . . . . ?
B6' C1' B4' B8' 65.6(4) . . . . ?
B6' C1' B4' B9' 2.9(4) . . . . ?
B6' C1' B5' B4' 141.5(3) . . . . ?
B6' C1' B5' B9' 102.0(4) . . . . ?
B6' C1' B5' B10' 39.1(3) . . . . ?
B6' C2' B3' C1' -33.8(3) . . . . ?
B6' C2' B3' B4' 2.7(5) . . . . ?
B6' C2' B3' B7' 105.9(4) . . . . ?
B6' C2' B3' B8' 65.2(4) . . . . ?
B6' C2' B7' B3' -106.6(4) . . . . ?
B6' C2' B7' B8' -66.5(4) . . . . ?
B6' C2' B7' B11' 36.3(3) . . . . ?
B6' C2' B7' B12' -3.9(5) . . . . ?
B6' C2' B11' B7' -142.7(4) . . . . ?
B6' C2' B11' B10' -39.6(3) . . . . ?
B6' C2' B11' B12' -102.3(4) . . . . ?
B6' B5' B9' B4' 102.1(4) . . . . ?
B6' B5' B9' B8' 64.5(5) . . . . ?
B6' B5' B9' B10' -36.7(3) . . . . ?
B6' B5' B9' B12' 1.0(5) . . . . ?
B6' B5' B10' B9' 138.6(4) . . . . ?
B6' B5' B10' B11' 38.6(3) . . . . ?
B6' B5' B10' B12' 101.2(4) . . . . ?
B6' B10' B11' C2' 39.9(3) . . . . ?
B6' B10' B11' B7' 101.4(4) . . . . ?
B6' B10' B11' B12' 138.8(4) . . . . ?
B6' B10' B12' B7' 0.3(5) . . . . ?
B6' B10' B12' B8' 63.5(4) . . . . ?
B6' B10' B12' B9' 101.1(4) . . . . ?
B6' B10' B12' B11' -37.0(3) . . . . ?
B6' B11' B12' B7' -102.0(4) . . . . ?
B6' B11' B12' B8' -64.8(4) . . . . ?
B6' B11' B12' B9' -1.2(5) . . . . ?
B6' B11' B12' B10' 36.4(3) . . . . ?
B7' C2' B3' C1' -139.7(4) . . . . ?
B7' C2' B3' B4' -103.2(4) . . . . ?
B7' C2' B3' B8' -40.7(3) . . . . ?
B7' C2' B6' C1' 103.4(4) . . . . ?
B7' C2' B6' B5' 66.7(4) . . . . ?
B7' C2' B6' B10' 4.1(5) . . . . ?
B7' C2' B6' B11' -36.3(4) . . . . ?
B7' C2' B11' B6' 142.7(4) . . . . ?
B7' C2' B11' B10' 103.1(4) . . . . ?
B7' C2' B11' B12' 40.5(3) . . . . ?
B7' B3' B4' C1' -96.5(4) . . . . ?
B7' B3' B4' B5' -62.4(4) . . . . ?
B7' B3' B4' B8' 38.1(3) . . . . ?
B7' B3' B4' B9' 1.0(5) . . . . ?
B7' B3' B8' B4' -137.6(4) . . . . ?
B7' B3' B8' B9' -100.4(4) . . . . ?
B7' B3' B8' B12' -37.1(3) . . . . ?
B7' B8' B9' B4' -101.5(4) . . . . ?
B7' B8' B9' B5' -63.8(4) . . . . ?
B7' B8' B9' B10' -0.7(5) . . . . ?
B7' B8' B9' B12' 37.0(3) . . . . ?
B7' B8' B12' B9' -138.6(4) . . . . ?
B7' B8' B12' B10' -101.0(4) . . . . ?
B7' B8' B12' B11' -37.4(3) . . . . ?
B7' B11' B12' B8' 37.2(3) . . . . ?
B7' B11' B12' B9' 100.8(4) . . . . ?
B7' B11' B12' B10' 138.3(4) . . . . ?
B8' B3' B4' C1' -134.6(4) . . . . ?
B8' B3' B4' B5' -100.5(4) . . . . ?
B8' B3' B4' B9' -37.1(3) . . . . ?
B8' B3' B7' C2' 133.4(4) . . . . ?
B8' B3' B7' B11' 100.6(4) . . . . ?
B8' B3' B7' B12' 37.2(3) . . . . ?
B8' B4' B5' C1' -97.1(4) . . . . ?
B8' B4' B5' B6' -62.3(4) . . . . ?
B8' B4' B5' B9' 37.9(3) . . . . ?
B8' B4' B5' B10' 0.7(5) . . . . ?
B8' B4' B9' B5' -137.8(4) . . . . ?
B8' B4' B9' B10' -101.0(4) . . . . ?
B8' B4' B9' B12' -37.3(3) . . . . ?
B8' B7' B11' C2' 96.0(4) . . . . ?
B8' B7' B11' B6' 62.5(4) . . . . ?
B8' B7' B11' B10' -0.1(5) . . . . ?
B8' B7' B11' B12' -37.7(3) . . . . ?
B8' B7' B12' B9' 37.1(3) . . . . ?
B8' B7' B12' B10' 100.8(4) . . . . ?
B8' B7' B12' B11' 138.1(4) . . . . ?
B8' B9' B10' B5' -100.2(4) . . . . ?
B8' B9' B10' B6' -63.1(4) . . . . ?
B8' B9' B10' B11' 0.6(4) . . . . ?
B8' B9' B10' B12' 37.6(3) . . . . ?
B8' B9' B12' B7' -36.9(3) . . . . ?
B8' B9' B12' B10' -138.1(4) . . . . ?
B8' B9' B12' B11' -100.4(4) . . . . ?
B9' B4' B5' C1' -135.0(4) . . . . ?
B9' B4' B5' B6' -100.2(4) . . . . ?
B9' B4' B5' B10' -37.1(3) . . . . ?
B9' B4' B8' B3' 138.5(4) . . . . ?
B9' B4' B8' B7' 100.3(4) . . . . ?
B9' B4' B8' B12' 37.0(3) . . . . ?
B9' B5' B6' C1' -98.0(4) . . . . ?
B9' B5' B6' C2' -62.1(4) . . . . ?
B9' B5' B6' B10' 37.1(3) . . . . ?
B9' B5' B6' B11' -1.8(5) . . . . ?
B9' B5' B10' B6' -138.6(4) . . . . ?
B9' B5' B10' B11' -100.1(4) . . . . ?
B9' B5' B10' B12' -37.4(3) . . . . ?
B9' B8' B12' B7' 138.6(4) . . . . ?
B9' B8' B12' B10' 37.6(3) . . . . ?
B9' B8' B12' B11' 101.2(4) . . . . ?
B9' B10' B11' C2' -61.8(4) . . . . ?
B9' B10' B11' B6' -101.7(4) . . . . ?
B9' B10' B11' B7' -0.3(4) . . . . ?
B9' B10' B11' B12' 37.1(3) . . . . ?
B9' B10' B12' B7' -100.8(4) . . . . ?
B9' B10' B12' B8' -37.6(3) . . . . ?
B9' B10' B12' B11' -138.1(4) . . . . ?
B10' B5' B6' C1' -135.1(4) . . . . ?
B10' B5' B6' C2' -99.2(4) . . . . ?
B10' B5' B6' B11' -38.9(3) . . . . ?
B10' B5' B9' B4' 138.8(4) . . . . ?
B10' B5' B9' B8' 101.2(4) . . . . ?
B10' B5' B9' B12' 37.7(4) . . . . ?
B10' B6' B11' C2' -133.9(4) . . . . ?
B10' B6' B11' B7' -100.7(4) . . . . ?
B10' B6' B11' B12' -37.0(3) . . . . ?
B10' B9' B12' B7' 101.1(4) . . . . ?
B10' B9' B12' B8' 138.1(4) . . . . ?
B10' B9' B12' B11' 37.6(3) . . . . ?
B10' B11' B12' B7' -138.3(4) . . . . ?
B10' B11' B12' B8' -101.1(4) . . . . ?
B10' B11' B12' B9' -37.6(3) . . . . ?
B11' C2' B3' C1' -103.6(4) . . . . ?
B11' C2' B3' B4' -67.1(4) . . . . ?
B11' C2' B3' B7' 36.1(4) . . . . ?
B11' C2' B3' B8' -4.6(5) . . . . ?
B11' C2' B6' C1' 139.7(3) . . . . ?
B11' C2' B6' B5' 103.1(4) . . . . ?
B11' C2' B6' B10' 40.5(3) . . . . ?
B11' C2' B7' B3' -142.9(4) . . . . ?
B11' C2' B7' B8' -102.8(4) . . . . ?
B11' C2' B7' B12' -40.2(3) . . . . ?
B11' B6' B10' B5' 136.8(4) . . . . ?
B11' B6' B10' B9' 99.8(4) . . . . ?
B11' B6' B10' B12' 36.6(3) . . . . ?
B11' B7' B8' B3' -101.2(4) . . . . ?
B11' B7' B8' B4' -62.9(5) . . . . ?
B11' B7' B8' B9' 0.5(5) . . . . ?
B11' B7' B8' B12' 37.4(3) . . . . ?
B11' B7' B12' B8' -138.1(4) . . . . ?
B11' B7' B12' B9' -101.0(4) . . . . ?
B11' B7' B12' B10' -37.4(3) . . . . ?
B11' B10' B12' B7' 37.3(3) . . . . ?
B11' B10' B12' B8' 100.5(4) . . . . ?
B11' B10' B12' B9' 138.1(4) . . . . ?
B12' B7' B8' B3' -138.6(4) . . . . ?
B12' B7' B8' B4' -100.3(4) . . . . ?
B12' B7' B8' B9' -36.9(3) . . . . ?
B12' B7' B11' C2' 133.7(4) . . . . ?
B12' B7' B11' B6' 100.2(4) . . . . ?
B12' B7' B11' B10' 37.5(3) . . . . ?
B12' B8' B9' B4' -138.4(4) . . . . ?
B12' B8' B9' B5' -100.7(4) . . . . ?
B12' B8' B9' B10' -37.7(3) . . . . ?
B12' B9' B10' B5' -137.8(4) . . . . ?
B12' B9' B10' B6' -100.7(4) . . . . ?
B12' B9' B10' B11' -37.0(3) . . . . ?
B12' B10' B11' C2' -98.9(4) . . . . ?
B12' B10' B11' B6' -138.8(4) . . . . ?
B12' B10' B11' B7' -37.4(3) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
