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

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

data_3n
_database_code_depnum_ccdc_archive 'CCDC 1996712'
loop_
_audit_author_name
_audit_author_address
'Hoi-Shan Chan'
;The Chinese University of Hong Kong
China
;
_audit_update_record             
;
2020-05-14 deposited with the CCDC.	2020-05-19 downloaded from the CCDC.
;
_audit_creation_date             2020-05-11
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2020.05.07 svn.rd67b107b for OlexSys, GUI svn.r6103)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C9 H15 B10 N'
_chemical_formula_sum            'C9 H15 B10 N'
_chemical_formula_weight         245.32
_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'

_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                   7.2341(3)
_cell_length_b                   18.7113(8)
_cell_length_c                   10.2532(5)
_cell_angle_alpha                90
_cell_angle_beta                 93.5997(13)
_cell_angle_gamma                90
_cell_volume                     1385.13(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    355
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      15
_shelx_estimated_absorpt_T_max   0.983
_shelx_estimated_absorpt_T_min   0.972
_exptl_absorpt_coefficient_mu    0.057
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6506
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.176
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             504
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_av_unetI/netI     0.0233
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            21450
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.491
_diffrn_reflns_theta_min         2.177
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'BRUKER D8VENTURE DIFFRACTOMETER'
_diffrn_measurement_method       'PHI & OMEGA SCAN'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2236
_reflns_number_total             2856
_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       'BRUKER D8VENTURE DIFFRACTOMETER'
_computing_data_collection       'BRUKER D8VENTURE DIFFRACTOMETER'
_computing_data_reduction        'BRUKER D8VENTURE DIFFRACTOMETER'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.191
_refine_diff_density_min         -0.148
_refine_diff_density_rms         0.031
_refine_ls_extinction_coef       0.035(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     227
_refine_ls_number_reflns         2856
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0658
_refine_ls_R_factor_gt           0.0496
_refine_ls_restrained_S_all      1.042
_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)+(0.0722P)²+0.2953P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1287
_refine_ls_wR_factor_ref         0.1422
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     ?
_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 0.25962(18) 0.12200(7) 0.62886(12) 0.0369(3) Uani 1 1 d . . . . .
C2 C 0.4336(2) 0.17891(8) 0.61496(14) 0.0430(4) Uani 1 1 d . . . . .
H2 H 0.526(2) 0.1810(8) 0.6951(16) 0.052 Uiso 1 1 d . U . . .
C11 C 0.25385(18) 0.07865(7) 0.75228(12) 0.0382(3) Uani 1 1 d . . . . .
C12 C 0.2659(3) 0.00504(9) 0.74699(16) 0.0572(5) Uani 1 1 d . . . . .
H12 H 0.275(2) -0.0170(10) 0.6656(18) 0.069 Uiso 1 1 d . U . . .
C13 C 0.2637(3) -0.03570(9) 0.85901(17) 0.0608(5) Uani 1 1 d . . . . .
H13 H 0.274(3) -0.0878(11) 0.8534(17) 0.073 Uiso 1 1 d . U . . .
C14 C 0.24952(19) -0.00300(9) 0.97841(14) 0.0475(4) Uani 1 1 d . . . . .
C15 C 0.2345(2) 0.07041(10) 0.98477(15) 0.0557(4) Uani 1 1 d . . . . .
H15 H 0.224(3) 0.0931(9) 1.0638(19) 0.067 Uiso 1 1 d . U . . .
C16 C 0.2363(2) 0.11100(9) 0.87224(14) 0.0501(4) Uani 1 1 d . . . . .
H16 H 0.218(2) 0.1633(9) 0.8791(16) 0.060 Uiso 1 1 d . U . . .
C17 C 0.2526(2) -0.04566(10) 1.09619(16) 0.0587(5) Uani 1 1 d . . . . .
B3 B 0.4332(2) 0.10168(9) 0.52733(15) 0.0427(4) Uani 1 1 d . . . . .
H3 H 0.527(2) 0.0620(8) 0.5604(14) 0.051 Uiso 1 1 d . U . . .
B4 B 0.1988(3) 0.08569(11) 0.47936(17) 0.0538(5) Uani 1 1 d . . . . .
H4 H 0.147(2) 0.0298(9) 0.4743(17) 0.065 Uiso 1 1 d . U . . .
B5 B 0.0651(2) 0.15439(12) 0.5470(2) 0.0595(5) Uani 1 1 d . . . . .
H5 H -0.064(3) 0.1400(10) 0.5836(17) 0.071 Uiso 1 1 d . U . . .
B6 B 0.2178(3) 0.21272(10) 0.63538(18) 0.0541(5) Uani 1 1 d . . . . .
H6 H 0.190(2) 0.2362(9) 0.7289(18) 0.065 Uiso 1 1 d . U . . .
B7 B 0.4988(2) 0.18352(11) 0.45897(17) 0.0505(5) Uani 1 1 d . . . . .
H7 H 0.640(2) 0.1914(9) 0.4466(16) 0.061 Uiso 1 1 d . U . . .
B8 B 0.3471(3) 0.12540(11) 0.36987(17) 0.0556(5) Uani 1 1 d . . . . .
H8 H 0.393(2) 0.0962(9) 0.2876(17) 0.067 Uiso 1 1 d . U . . .
B9 B 0.1185(3) 0.15834(13) 0.38097(19) 0.0632(6) Uani 1 1 d . . . . .
H9 H 0.013(3) 0.1495(10) 0.3002(18) 0.076 Uiso 1 1 d . U . . .
B10 B 0.1305(3) 0.23651(12) 0.4780(2) 0.0635(6) Uani 1 1 d . . . . .
H10 H 0.028(3) 0.2808(10) 0.4649(18) 0.076 Uiso 1 1 d . U . . .
B11 B 0.3663(3) 0.25190(10) 0.52566(19) 0.0555(5) Uani 1 1 d . . . . .
H11 H 0.432(2) 0.3030(10) 0.5556(17) 0.067 Uiso 1 1 d . U . . .
B12 B 0.3044(3) 0.21899(11) 0.36755(18) 0.0536(5) Uani 1 1 d . . . . .
H12A H 0.318(2) 0.2539(9) 0.2781(17) 0.064 Uiso 1 1 d . U . . .
N1 N 0.2578(2) -0.07965(10) 1.18817(16) 0.0806(6) 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 1.6617(19) . ?
C1 C11 1.5059(18) . ?
C1 B3 1.723(2) . ?
C1 B4 1.709(2) . ?
C1 B5 1.704(2) . ?
C1 B6 1.726(2) . ?
C2 H2 1.026(16) . ?
C2 B3 1.702(2) . ?
C2 B6 1.710(2) . ?
C2 B7 1.698(2) . ?
C2 B11 1.698(2) . ?
C11 C12 1.381(2) . ?
C11 C16 1.384(2) . ?
C12 H12 0.937(19) . ?
C12 C13 1.379(2) . ?
C13 H13 0.980(19) . ?
C13 C14 1.378(2) . ?
C14 C15 1.380(2) . ?
C14 C17 1.447(2) . ?
C15 H15 0.922(19) . ?
C15 C16 1.382(2) . ?
C16 H16 0.990(17) . ?
C17 N1 1.136(2) . ?
B3 H3 1.047(16) . ?
B3 B4 1.761(3) . ?
B3 B7 1.762(2) . ?
B3 B8 1.751(2) . ?
B4 H4 1.112(17) . ?
B4 B5 1.776(3) . ?
B4 B8 1.765(3) . ?
B4 B9 1.769(3) . ?
B5 H5 1.065(19) . ?
B5 B6 1.763(3) . ?
B5 B9 1.770(3) . ?
B5 B10 1.768(3) . ?
B6 H6 1.086(18) . ?
B6 B10 1.753(3) . ?
B6 B11 1.763(3) . ?
B7 H7 1.048(17) . ?
B7 B8 1.760(3) . ?
B7 B11 1.762(3) . ?
B7 B12 1.770(2) . ?
B8 H8 1.075(17) . ?
B8 B9 1.775(3) . ?
B8 B12 1.778(3) . ?
B9 H9 1.105(19) . ?
B9 B10 1.768(3) . ?
B9 B12 1.771(3) . ?
B10 H10 1.114(19) . ?
B10 B11 1.768(3) . ?
B10 B12 1.775(3) . ?
B11 H11 1.102(18) . ?
B11 B12 1.765(3) . ?
B12 H12A 1.136(18) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 B3 60.33(9) . . ?
C2 C1 B4 109.37(11) . . ?
C2 C1 B5 109.65(11) . . ?
C2 C1 B6 60.57(9) . . ?
C11 C1 C2 118.58(11) . . ?
C11 C1 B3 116.65(11) . . ?
C11 C1 B4 121.36(12) . . ?
C11 C1 B5 122.69(11) . . ?
C11 C1 B6 118.88(11) . . ?
B3 C1 B6 112.12(11) . . ?
B4 C1 B3 61.75(10) . . ?
B4 C1 B6 112.94(12) . . ?
B5 C1 B3 113.04(11) . . ?
B5 C1 B4 62.69(11) . . ?
B5 C1 B6 61.84(12) . . ?
C1 C2 H2 114.4(9) . . ?
C1 C2 B3 61.62(9) . . ?
C1 C2 B6 61.58(9) . . ?
C1 C2 B7 111.72(11) . . ?
C1 C2 B11 111.62(12) . . ?
B3 C2 H2 115.8(9) . . ?
B3 C2 B6 114.05(12) . . ?
B6 C2 H2 116.1(9) . . ?
B7 C2 H2 123.2(9) . . ?
B7 C2 B3 62.43(10) . . ?
B7 C2 B6 113.98(12) . . ?
B7 C2 B11 62.52(11) . . ?
B11 C2 H2 123.5(9) . . ?
B11 C2 B3 114.04(12) . . ?
B11 C2 B6 62.32(11) . . ?
C12 C11 C1 119.92(12) . . ?
C12 C11 C16 118.72(13) . . ?
C16 C11 C1 121.35(13) . . ?
C11 C12 H12 118.8(11) . . ?
C13 C12 C11 120.94(15) . . ?
C13 C12 H12 120.2(12) . . ?
C12 C13 H13 119.7(11) . . ?
C14 C13 C12 119.99(16) . . ?
C14 C13 H13 120.3(11) . . ?
C13 C14 C15 119.62(14) . . ?
C13 C14 C17 119.90(15) . . ?
C15 C14 C17 120.47(15) . . ?
C14 C15 H15 120.7(11) . . ?
C14 C15 C16 120.18(15) . . ?
C16 C15 H15 119.1(11) . . ?
C11 C16 H16 121.0(10) . . ?
C15 C16 C11 120.52(15) . . ?
C15 C16 H16 118.4(10) . . ?
N1 C17 C14 178.9(2) . . ?
C1 B3 H3 116.2(8) . . ?
C1 B3 B4 58.73(9) . . ?
C1 B3 B7 105.87(11) . . ?
C1 B3 B8 105.70(12) . . ?
C2 B3 C1 58.05(8) . . ?
C2 B3 H3 116.9(8) . . ?
C2 B3 B4 105.16(12) . . ?
C2 B3 B7 58.68(10) . . ?
C2 B3 B8 105.09(12) . . ?
B4 B3 H3 124.2(9) . . ?
B4 B3 B7 108.38(12) . . ?
B7 B3 H3 124.1(9) . . ?
B8 B3 H3 131.6(8) . . ?
B8 B3 B4 60.33(10) . . ?
B8 B3 B7 60.13(11) . . ?
C1 B4 B3 59.52(9) . . ?
C1 B4 H4 118.9(9) . . ?
C1 B4 B5 58.52(10) . . ?
C1 B4 B8 105.70(12) . . ?
C1 B4 B9 105.24(14) . . ?
B3 B4 H4 119.3(9) . . ?
B3 B4 B5 107.85(13) . . ?
B3 B4 B8 59.54(10) . . ?
B3 B4 B9 107.73(13) . . ?
B5 B4 H4 120.6(9) . . ?
B8 B4 H4 125.7(9) . . ?
B8 B4 B5 108.14(14) . . ?
B8 B4 B9 60.30(11) . . ?
B9 B4 H4 126.8(10) . . ?
B9 B4 B5 59.93(12) . . ?
C1 B5 B4 58.78(9) . . ?
C1 B5 H5 116.9(10) . . ?
C1 B5 B6 59.69(10) . . ?
C1 B5 B9 105.37(13) . . ?
C1 B5 B10 105.82(13) . . ?
B4 B5 H5 117.8(10) . . ?
B6 B5 B4 108.05(13) . . ?
B6 B5 H5 120.8(10) . . ?
B6 B5 B9 107.52(14) . . ?
B6 B5 B10 59.53(12) . . ?
B9 B5 B4 59.85(12) . . ?
B9 B5 H5 126.8(10) . . ?
B10 B5 B4 107.87(13) . . ?
B10 B5 H5 128.7(10) . . ?
B10 B5 B9 59.95(12) . . ?
C1 B6 B5 58.47(10) . . ?
C1 B6 H6 118.4(9) . . ?
C1 B6 B10 105.54(14) . . ?
C1 B6 B11 105.60(12) . . ?
C2 B6 C1 57.85(8) . . ?
C2 B6 B5 104.81(12) . . ?
C2 B6 H6 118.7(10) . . ?
C2 B6 B10 105.08(12) . . ?
C2 B6 B11 58.53(10) . . ?
B5 B6 H6 124.0(10) . . ?
B5 B6 B11 108.46(13) . . ?
B10 B6 B5 60.39(12) . . ?
B10 B6 H6 129.4(9) . . ?
B10 B6 B11 60.38(12) . . ?
B11 B6 H6 123.4(10) . . ?
C2 B7 B3 58.89(9) . . ?
C2 B7 H7 116.9(9) . . ?
C2 B7 B8 104.86(12) . . ?
C2 B7 B11 58.75(10) . . ?
C2 B7 B12 105.03(12) . . ?
B3 B7 H7 117.4(9) . . ?
B3 B7 B11 108.05(12) . . ?
B3 B7 B12 108.15(13) . . ?
B8 B7 B3 59.63(10) . . ?
B8 B7 H7 127.3(9) . . ?
B8 B7 B11 108.26(13) . . ?
B8 B7 B12 60.50(11) . . ?
B11 B7 H7 120.2(9) . . ?
B11 B7 B12 59.98(11) . . ?
B12 B7 H7 129.2(9) . . ?
B3 B8 B4 60.13(10) . . ?
B3 B8 B7 60.24(10) . . ?
B3 B8 H8 119.1(9) . . ?
B3 B8 B9 107.93(12) . . ?
B3 B8 B12 108.27(13) . . ?
B4 B8 H8 120.9(9) . . ?
B4 B8 B9 59.96(11) . . ?
B4 B8 B12 108.13(14) . . ?
B7 B8 B4 108.32(12) . . ?
B7 B8 H8 120.7(10) . . ?
B7 B8 B9 107.79(14) . . ?
B7 B8 B12 60.03(11) . . ?
B9 B8 H8 124.0(10) . . ?
B9 B8 B12 59.81(11) . . ?
B12 B8 H8 123.5(9) . . ?
B4 B9 B5 60.22(11) . . ?
B4 B9 B8 59.74(11) . . ?
B4 B9 H9 120.0(10) . . ?
B4 B9 B12 108.25(13) . . ?
B5 B9 B8 107.92(13) . . ?
B5 B9 H9 122.1(10) . . ?
B5 B9 B12 108.30(15) . . ?
B8 B9 H9 120.3(10) . . ?
B10 B9 B4 108.19(13) . . ?
B10 B9 B5 59.97(12) . . ?
B10 B9 B8 108.08(14) . . ?
B10 B9 H9 123.5(10) . . ?
B10 B9 B12 60.20(12) . . ?
B12 B9 B8 60.18(11) . . ?
B12 B9 H9 122.1(10) . . ?
B5 B10 H10 120.2(10) . . ?
B5 B10 B12 108.23(15) . . ?
B6 B10 B5 60.08(11) . . ?
B6 B10 B9 108.06(14) . . ?
B6 B10 H10 119.9(10) . . ?
B6 B10 B11 60.10(12) . . ?
B6 B10 B12 108.16(13) . . ?
B9 B10 B5 60.08(12) . . ?
B9 B10 H10 122.7(10) . . ?
B9 B10 B11 107.62(14) . . ?
B9 B10 B12 60.00(12) . . ?
B11 B10 B5 107.99(13) . . ?
B11 B10 H10 122.3(10) . . ?
B11 B10 B12 59.77(11) . . ?
B12 B10 H10 123.6(9) . . ?
C2 B11 B6 59.15(9) . . ?
C2 B11 B7 58.73(10) . . ?
C2 B11 B10 104.89(13) . . ?
C2 B11 H11 116.3(9) . . ?
C2 B11 B12 105.20(13) . . ?
B6 B11 B10 59.52(12) . . ?
B6 B11 H11 116.8(9) . . ?
B6 B11 B12 108.13(15) . . ?
B7 B11 B6 108.29(12) . . ?
B7 B11 B10 108.26(14) . . ?
B7 B11 H11 120.2(9) . . ?
B7 B11 B12 60.22(11) . . ?
B10 B11 H11 127.5(9) . . ?
B12 B11 B10 60.30(12) . . ?
B12 B11 H11 129.7(9) . . ?
B7 B12 B8 59.47(11) . . ?
B7 B12 B9 107.49(13) . . ?
B7 B12 B10 107.63(12) . . ?
B7 B12 H12A 122.3(9) . . ?
B8 B12 H12A 123.5(9) . . ?
B9 B12 B8 60.00(12) . . ?
B9 B12 B10 59.81(13) . . ?
B9 B12 H12A 122.5(9) . . ?
B10 B12 B8 107.62(13) . . ?
B10 B12 H12A 120.8(9) . . ?
B11 B12 B7 59.80(11) . . ?
B11 B12 B8 107.30(12) . . ?
B11 B12 B9 107.59(13) . . ?
B11 B12 B10 59.93(12) . . ?
B11 B12 H12A 120.7(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 C2 B3 B4 36.60(10) . . . . ?
C1 C2 B3 B7 139.17(12) . . . . ?
C1 C2 B3 B8 99.33(12) . . . . ?
C1 C2 B6 B5 -36.37(10) . . . . ?
C1 C2 B6 B10 -99.11(14) . . . . ?
C1 C2 B6 B11 -139.21(13) . . . . ?
C1 C2 B7 B3 -38.26(11) . . . . ?
C1 C2 B7 B8 1.28(16) . . . . ?
C1 C2 B7 B11 103.88(14) . . . . ?
C1 C2 B7 B12 64.13(16) . . . . ?
C1 C2 B11 B6 38.18(12) . . . . ?
C1 C2 B11 B7 -104.04(13) . . . . ?
C1 C2 B11 B10 -1.46(17) . . . . ?
C1 C2 B11 B12 -64.14(16) . . . . ?
C1 C11 C12 C13 179.04(15) . . . . ?
C1 C11 C16 C15 -178.84(14) . . . . ?
C1 B3 B4 B5 34.31(11) . . . . ?
C1 B3 B4 B8 135.27(13) . . . . ?
C1 B3 B4 B9 97.59(15) . . . . ?
C1 B3 B7 C2 35.23(10) . . . . ?
C1 B3 B7 B8 -99.27(13) . . . . ?
C1 B3 B7 B11 1.73(16) . . . . ?
C1 B3 B7 B12 -61.72(15) . . . . ?
C1 B3 B8 B4 -38.67(12) . . . . ?
C1 B3 B8 B7 99.56(13) . . . . ?
C1 B3 B8 B9 -1.09(18) . . . . ?
C1 B3 B8 B12 62.18(16) . . . . ?
C1 B4 B5 B6 35.10(11) . . . . ?
C1 B4 B5 B9 135.28(14) . . . . ?
C1 B4 B5 B10 98.02(15) . . . . ?
C1 B4 B8 B3 39.05(11) . . . . ?
C1 B4 B8 B7 1.52(18) . . . . ?
C1 B4 B8 B9 -98.86(15) . . . . ?
C1 B4 B8 B12 -62.04(16) . . . . ?
C1 B4 B9 B5 -38.46(12) . . . . ?
C1 B4 B9 B8 99.64(14) . . . . ?
C1 B4 B9 B10 -1.11(18) . . . . ?
C1 B4 B9 B12 62.63(17) . . . . ?
C1 B5 B6 C2 36.09(10) . . . . ?
C1 B5 B6 B10 135.25(13) . . . . ?
C1 B5 B6 B11 97.34(13) . . . . ?
C1 B5 B9 B4 38.61(12) . . . . ?
C1 B5 B9 B8 1.3(2) . . . . ?
C1 B5 B9 B10 -99.64(15) . . . . ?
C1 B5 B9 B12 -62.38(18) . . . . ?
C1 B5 B10 B6 -39.17(12) . . . . ?
C1 B5 B10 B9 98.88(15) . . . . ?
C1 B5 B10 B11 -1.51(19) . . . . ?
C1 B5 B10 B12 61.73(18) . . . . ?
C1 B6 B10 B5 38.52(12) . . . . ?
C1 B6 B10 B9 0.98(18) . . . . ?
C1 B6 B10 B11 -99.38(14) . . . . ?
C1 B6 B10 B12 -62.50(18) . . . . ?
C1 B6 B11 C2 -35.05(11) . . . . ?
C1 B6 B11 B7 -1.57(18) . . . . ?
C1 B6 B11 B10 99.28(15) . . . . ?
C1 B6 B11 B12 62.18(16) . . . . ?
C2 C1 C11 C12 -117.10(15) . . . . ?
C2 C1 C11 C16 63.00(17) . . . . ?
C2 C1 B3 B4 -137.68(12) . . . . ?
C2 C1 B3 B7 -35.50(11) . . . . ?
C2 C1 B3 B8 -98.24(13) . . . . ?
C2 C1 B4 B3 38.32(11) . . . . ?
C2 C1 B4 B5 -102.69(12) . . . . ?
C2 C1 B4 B8 -0.74(16) . . . . ?
C2 C1 B4 B9 -63.56(15) . . . . ?
C2 C1 B5 B4 102.24(12) . . . . ?
C2 C1 B5 B6 -38.47(11) . . . . ?
C2 C1 B5 B9 63.11(17) . . . . ?
C2 C1 B5 B10 0.62(17) . . . . ?
C2 C1 B6 B5 137.73(12) . . . . ?
C2 C1 B6 B10 98.29(13) . . . . ?
C2 C1 B6 B11 35.35(12) . . . . ?
C2 B3 B4 C1 -36.29(10) . . . . ?
C2 B3 B4 B5 -1.98(15) . . . . ?
C2 B3 B4 B8 98.98(13) . . . . ?
C2 B3 B4 B9 61.30(16) . . . . ?
C2 B3 B7 B8 -134.50(13) . . . . ?
C2 B3 B7 B11 -33.49(12) . . . . ?
C2 B3 B7 B12 -96.94(14) . . . . ?
C2 B3 B8 B4 -99.10(13) . . . . ?
C2 B3 B8 B7 39.13(11) . . . . ?
C2 B3 B8 B9 -61.52(16) . . . . ?
C2 B3 B8 B12 1.76(16) . . . . ?
C2 B6 B10 B5 98.71(14) . . . . ?
C2 B6 B10 B9 61.17(17) . . . . ?
C2 B6 B10 B11 -39.19(13) . . . . ?
C2 B6 B10 B12 -2.31(19) . . . . ?
C2 B6 B11 B7 33.47(12) . . . . ?
C2 B6 B11 B10 134.33(14) . . . . ?
C2 B6 B11 B12 97.23(14) . . . . ?
C2 B7 B8 B3 -39.19(11) . . . . ?
C2 B7 B8 B4 -1.70(17) . . . . ?
C2 B7 B8 B9 61.71(15) . . . . ?
C2 B7 B8 B12 99.10(13) . . . . ?
C2 B7 B11 B6 -33.64(12) . . . . ?
C2 B7 B11 B10 -96.67(13) . . . . ?
C2 B7 B11 B12 -134.50(14) . . . . ?
C2 B7 B12 B8 -98.81(13) . . . . ?
C2 B7 B12 B9 -61.41(17) . . . . ?
C2 B7 B12 B10 1.64(18) . . . . ?
C2 B7 B12 B11 39.15(12) . . . . ?
C2 B11 B12 B7 -39.18(12) . . . . ?
C2 B11 B12 B8 -2.01(18) . . . . ?
C2 B11 B12 B9 61.21(17) . . . . ?
C2 B11 B12 B10 98.72(14) . . . . ?
C11 C1 C2 B3 106.11(13) . . . . ?
C11 C1 C2 B6 -108.92(13) . . . . ?
C11 C1 C2 B7 144.71(12) . . . . ?
C11 C1 C2 B11 -147.40(13) . . . . ?
C11 C1 B3 C2 -109.27(13) . . . . ?
C11 C1 B3 B4 113.05(14) . . . . ?
C11 C1 B3 B7 -144.77(12) . . . . ?
C11 C1 B3 B8 152.48(13) . . . . ?
C11 C1 B4 B3 -105.59(13) . . . . ?
C11 C1 B4 B5 113.40(14) . . . . ?
C11 C1 B4 B8 -144.66(13) . . . . ?
C11 C1 B4 B9 152.53(13) . . . . ?
C11 C1 B5 B4 -111.39(15) . . . . ?
C11 C1 B5 B6 107.90(14) . . . . ?
C11 C1 B5 B9 -150.51(14) . . . . ?
C11 C1 B5 B10 147.00(14) . . . . ?
C11 C1 B6 C2 108.43(13) . . . . ?
C11 C1 B6 B5 -113.85(13) . . . . ?
C11 C1 B6 B10 -153.29(13) . . . . ?
C11 C1 B6 B11 143.77(13) . . . . ?
C11 C12 C13 C14 -0.1(3) . . . . ?
C12 C11 C16 C15 1.3(2) . . . . ?
C12 C13 C14 C15 1.1(3) . . . . ?
C12 C13 C14 C17 -178.19(16) . . . . ?
C13 C14 C15 C16 -0.9(2) . . . . ?
C14 C15 C16 C11 -0.3(2) . . . . ?
C16 C11 C12 C13 -1.1(3) . . . . ?
C17 C14 C15 C16 178.40(15) . . . . ?
B3 C1 C2 B6 144.98(12) . . . . ?
B3 C1 C2 B7 38.60(11) . . . . ?
B3 C1 C2 B11 106.49(13) . . . . ?
B3 C1 C11 C12 -48.04(18) . . . . ?
B3 C1 C11 C16 132.06(14) . . . . ?
B3 C1 B4 B5 -141.01(13) . . . . ?
B3 C1 B4 B8 -39.06(12) . . . . ?
B3 C1 B4 B9 -101.88(14) . . . . ?
B3 C1 B5 B4 37.03(13) . . . . ?
B3 C1 B5 B6 -103.68(13) . . . . ?
B3 C1 B5 B9 -2.09(19) . . . . ?
B3 C1 B5 B10 -64.58(17) . . . . ?
B3 C1 B6 C2 -32.56(11) . . . . ?
B3 C1 B6 B5 105.16(12) . . . . ?
B3 C1 B6 B10 65.72(16) . . . . ?
B3 C1 B6 B11 2.78(17) . . . . ?
B3 C2 B6 C1 33.57(11) . . . . ?
B3 C2 B6 B5 -2.80(15) . . . . ?
B3 C2 B6 B10 -65.55(16) . . . . ?
B3 C2 B6 B11 -105.64(14) . . . . ?
B3 C2 B7 B8 39.55(12) . . . . ?
B3 C2 B7 B11 142.15(13) . . . . ?
B3 C2 B7 B12 102.40(14) . . . . ?
B3 C2 B11 B6 105.66(14) . . . . ?
B3 C2 B11 B7 -36.56(13) . . . . ?
B3 C2 B11 B10 66.02(17) . . . . ?
B3 C2 B11 B12 3.35(18) . . . . ?
B3 B4 B5 C1 -34.72(11) . . . . ?
B3 B4 B5 B6 0.38(16) . . . . ?
B3 B4 B5 B9 100.56(14) . . . . ?
B3 B4 B5 B10 63.29(16) . . . . ?
B3 B4 B8 B7 -37.53(12) . . . . ?
B3 B4 B8 B9 -137.92(14) . . . . ?
B3 B4 B8 B12 -101.09(14) . . . . ?
B3 B4 B9 B5 -100.76(14) . . . . ?
B3 B4 B9 B8 37.34(13) . . . . ?
B3 B4 B9 B10 -63.41(17) . . . . ?
B3 B4 B9 B12 0.33(19) . . . . ?
B3 B7 B8 B4 37.48(12) . . . . ?
B3 B7 B8 B9 100.90(13) . . . . ?
B3 B7 B8 B12 138.29(13) . . . . ?
B3 B7 B11 C2 33.55(12) . . . . ?
B3 B7 B11 B6 -0.10(18) . . . . ?
B3 B7 B11 B10 -63.13(16) . . . . ?
B3 B7 B11 B12 -100.96(14) . . . . ?
B3 B7 B12 B8 -37.17(12) . . . . ?
B3 B7 B12 B9 0.23(18) . . . . ?
B3 B7 B12 B10 63.28(18) . . . . ?
B3 B7 B12 B11 100.79(13) . . . . ?
B3 B8 B9 B4 -37.65(13) . . . . ?
B3 B8 B9 B5 -0.1(2) . . . . ?
B3 B8 B9 B10 63.28(17) . . . . ?
B3 B8 B9 B12 101.13(15) . . . . ?
B3 B8 B12 B7 37.47(12) . . . . ?
B3 B8 B12 B9 -100.55(14) . . . . ?
B3 B8 B12 B10 -62.99(17) . . . . ?
B3 B8 B12 B11 0.16(18) . . . . ?
B4 C1 C2 B3 -38.95(11) . . . . ?
B4 C1 C2 B6 106.03(13) . . . . ?
B4 C1 C2 B7 -0.35(16) . . . . ?
B4 C1 C2 B11 67.54(15) . . . . ?
B4 C1 C11 C12 23.64(19) . . . . ?
B4 C1 C11 C16 -156.26(14) . . . . ?
B4 C1 B3 C2 137.68(12) . . . . ?
B4 C1 B3 B7 102.18(13) . . . . ?
B4 C1 B3 B8 39.44(12) . . . . ?
B4 C1 B5 B6 -140.71(13) . . . . ?
B4 C1 B5 B9 -39.12(14) . . . . ?
B4 C1 B5 B10 -101.61(15) . . . . ?
B4 C1 B6 C2 -100.06(12) . . . . ?
B4 C1 B6 B5 37.66(13) . . . . ?
B4 C1 B6 B10 -1.78(17) . . . . ?
B4 C1 B6 B11 -64.72(16) . . . . ?
B4 B3 B7 C2 96.91(12) . . . . ?
B4 B3 B7 B8 -37.58(13) . . . . ?
B4 B3 B7 B11 63.42(16) . . . . ?
B4 B3 B7 B12 -0.03(17) . . . . ?
B4 B3 B8 B7 138.23(14) . . . . ?
B4 B3 B8 B9 37.58(14) . . . . ?
B4 B3 B8 B12 100.85(15) . . . . ?
B4 B5 B6 C1 -34.72(11) . . . . ?
B4 B5 B6 C2 1.37(16) . . . . ?
B4 B5 B6 B10 100.53(14) . . . . ?
B4 B5 B6 B11 62.61(16) . . . . ?
B4 B5 B9 B8 -37.32(14) . . . . ?
B4 B5 B9 B10 -138.26(14) . . . . ?
B4 B5 B9 B12 -100.99(15) . . . . ?
B4 B5 B10 B6 -100.84(14) . . . . ?
B4 B5 B10 B9 37.22(13) . . . . ?
B4 B5 B10 B11 -63.17(18) . . . . ?
B4 B5 B10 B12 0.06(19) . . . . ?
B4 B8 B9 B5 37.53(14) . . . . ?
B4 B8 B9 B10 100.93(14) . . . . ?
B4 B8 B9 B12 138.78(14) . . . . ?
B4 B8 B12 B7 101.13(13) . . . . ?
B4 B8 B12 B9 -36.89(12) . . . . ?
B4 B8 B12 B10 0.67(17) . . . . ?
B4 B8 B12 B11 63.81(17) . . . . ?
B4 B9 B10 B5 -37.46(13) . . . . ?
B4 B9 B10 B6 0.07(19) . . . . ?
B4 B9 B10 B11 63.55(17) . . . . ?
B4 B9 B10 B12 101.05(15) . . . . ?
B4 B9 B12 B7 -0.34(19) . . . . ?
B4 B9 B12 B8 36.82(13) . . . . ?
B4 B9 B12 B10 -100.95(15) . . . . ?
B4 B9 B12 B11 -63.38(18) . . . . ?
B5 C1 C2 B3 -105.95(13) . . . . ?
B5 C1 C2 B6 39.03(12) . . . . ?
B5 C1 C2 B7 -67.34(15) . . . . ?
B5 C1 C2 B11 0.54(16) . . . . ?
B5 C1 C11 C12 99.33(18) . . . . ?
B5 C1 C11 C16 -80.57(19) . . . . ?
B5 C1 B3 C2 100.27(13) . . . . ?
B5 C1 B3 B4 -37.41(13) . . . . ?
B5 C1 B3 B7 64.77(15) . . . . ?
B5 C1 B3 B8 2.03(17) . . . . ?
B5 C1 B4 B3 141.01(13) . . . . ?
B5 C1 B4 B8 101.95(14) . . . . ?
B5 C1 B4 B9 39.13(13) . . . . ?
B5 C1 B6 C2 -137.73(12) . . . . ?
B5 C1 B6 B10 -39.44(13) . . . . ?
B5 C1 B6 B11 -102.38(14) . . . . ?
B5 B4 B8 B3 100.46(13) . . . . ?
B5 B4 B8 B7 62.93(17) . . . . ?
B5 B4 B8 B9 -37.46(14) . . . . ?
B5 B4 B8 B12 -0.63(17) . . . . ?
B5 B4 B9 B8 138.10(15) . . . . ?
B5 B4 B9 B10 37.35(14) . . . . ?
B5 B4 B9 B12 101.08(17) . . . . ?
B5 B6 B10 B9 -37.54(14) . . . . ?
B5 B6 B10 B11 -137.90(14) . . . . ?
B5 B6 B10 B12 -101.02(17) . . . . ?
B5 B6 B11 C2 -96.41(13) . . . . ?
B5 B6 B11 B7 -62.94(17) . . . . ?
B5 B6 B11 B10 37.92(13) . . . . ?
B5 B6 B11 B12 0.82(17) . . . . ?
B5 B9 B10 B6 37.54(13) . . . . ?
B5 B9 B10 B11 101.01(14) . . . . ?
B5 B9 B10 B12 138.51(13) . . . . ?
B5 B9 B12 B7 63.44(18) . . . . ?
B5 B9 B12 B8 100.60(15) . . . . ?
B5 B9 B12 B10 -37.16(13) . . . . ?
B5 B9 B12 B11 0.40(19) . . . . ?
B5 B10 B11 C2 1.80(19) . . . . ?
B5 B10 B11 B6 -37.66(13) . . . . ?
B5 B10 B11 B7 63.25(18) . . . . ?
B5 B10 B11 B12 101.05(16) . . . . ?
B5 B10 B12 B7 -63.17(19) . . . . ?
B5 B10 B12 B8 -0.45(19) . . . . ?
B5 B10 B12 B9 37.20(14) . . . . ?
B5 B10 B12 B11 -100.62(15) . . . . ?
B6 C1 C2 B3 -144.98(12) . . . . ?
B6 C1 C2 B7 -106.37(13) . . . . ?
B6 C1 C2 B11 -38.49(12) . . . . ?
B6 C1 C11 C12 172.68(14) . . . . ?
B6 C1 C11 C16 -7.2(2) . . . . ?
B6 C1 B3 C2 32.65(12) . . . . ?
B6 C1 B3 B4 -105.03(13) . . . . ?
B6 C1 B3 B7 -2.85(16) . . . . ?
B6 C1 B3 B8 -65.59(15) . . . . ?
B6 C1 B4 B3 103.69(13) . . . . ?
B6 C1 B4 B5 -37.32(13) . . . . ?
B6 C1 B4 B8 64.63(16) . . . . ?
B6 C1 B4 B9 1.81(17) . . . . ?
B6 C1 B5 B4 140.71(13) . . . . ?
B6 C1 B5 B9 101.59(15) . . . . ?
B6 C1 B5 B10 39.10(13) . . . . ?
B6 C2 B3 C1 -33.55(11) . . . . ?
B6 C2 B3 B4 3.04(15) . . . . ?
B6 C2 B3 B7 105.61(13) . . . . ?
B6 C2 B3 B8 65.78(15) . . . . ?
B6 C2 B7 B3 -105.71(14) . . . . ?
B6 C2 B7 B8 -66.17(16) . . . . ?
B6 C2 B7 B11 36.43(14) . . . . ?
B6 C2 B7 B12 -3.32(18) . . . . ?
B6 C2 B11 B7 -142.21(14) . . . . ?
B6 C2 B11 B10 -39.63(13) . . . . ?
B6 C2 B11 B12 -102.31(15) . . . . ?
B6 B5 B9 B4 101.10(14) . . . . ?
B6 B5 B9 B8 63.78(18) . . . . ?
B6 B5 B9 B10 -37.16(13) . . . . ?
B6 B5 B9 B12 0.10(19) . . . . ?
B6 B5 B10 B9 138.06(14) . . . . ?
B6 B5 B10 B11 37.67(14) . . . . ?
B6 B5 B10 B12 100.90(15) . . . . ?
B6 B10 B11 C2 39.45(12) . . . . ?
B6 B10 B11 B7 100.91(13) . . . . ?
B6 B10 B11 B12 138.70(14) . . . . ?
B6 B10 B12 B7 0.4(2) . . . . ?
B6 B10 B12 B8 63.15(19) . . . . ?
B6 B10 B12 B9 100.80(16) . . . . ?
B6 B10 B12 B11 -37.02(14) . . . . ?
B6 B11 B12 B7 -101.13(13) . . . . ?
B6 B11 B12 B8 -63.97(17) . . . . ?
B6 B11 B12 B9 -0.75(18) . . . . ?
B6 B11 B12 B10 36.76(13) . . . . ?
B7 C2 B3 C1 -139.17(12) . . . . ?
B7 C2 B3 B4 -102.57(13) . . . . ?
B7 C2 B3 B8 -39.84(12) . . . . ?
B7 C2 B6 C1 102.70(13) . . . . ?
B7 C2 B6 B5 66.33(15) . . . . ?
B7 C2 B6 B10 3.59(18) . . . . ?
B7 C2 B6 B11 -36.51(14) . . . . ?
B7 C2 B11 B6 142.21(14) . . . . ?
B7 C2 B11 B10 102.58(15) . . . . ?
B7 C2 B11 B12 39.90(12) . . . . ?
B7 B3 B4 C1 -97.77(12) . . . . ?
B7 B3 B4 B5 -63.46(15) . . . . ?
B7 B3 B4 B8 37.50(13) . . . . ?
B7 B3 B4 B9 -0.18(17) . . . . ?
B7 B3 B8 B4 -138.23(14) . . . . ?
B7 B3 B8 B9 -100.65(15) . . . . ?
B7 B3 B8 B12 -37.38(12) . . . . ?
B7 B8 B9 B4 -101.29(13) . . . . ?
B7 B8 B9 B5 -63.76(18) . . . . ?
B7 B8 B9 B10 -0.36(17) . . . . ?
B7 B8 B9 B12 37.49(12) . . . . ?
B7 B8 B12 B9 -138.02(13) . . . . ?
B7 B8 B12 B10 -100.46(14) . . . . ?
B7 B8 B12 B11 -37.31(13) . . . . ?
B7 B11 B12 B8 37.17(13) . . . . ?
B7 B11 B12 B9 100.38(15) . . . . ?
B7 B11 B12 B10 137.89(14) . . . . ?
B8 B3 B4 C1 -135.27(13) . . . . ?
B8 B3 B4 B5 -100.95(14) . . . . ?
B8 B3 B4 B9 -37.68(13) . . . . ?
B8 B3 B7 C2 134.50(13) . . . . ?
B8 B3 B7 B11 101.00(14) . . . . ?
B8 B3 B7 B12 37.55(13) . . . . ?
B8 B4 B5 C1 -97.66(13) . . . . ?
B8 B4 B5 B6 -62.56(16) . . . . ?
B8 B4 B5 B9 37.62(13) . . . . ?
B8 B4 B5 B10 0.35(18) . . . . ?
B8 B4 B9 B5 -138.10(15) . . . . ?
B8 B4 B9 B10 -100.75(15) . . . . ?
B8 B4 B9 B12 -37.01(13) . . . . ?
B8 B7 B11 C2 96.64(13) . . . . ?
B8 B7 B11 B6 63.00(16) . . . . ?
B8 B7 B11 B10 -0.03(17) . . . . ?
B8 B7 B11 B12 -37.86(12) . . . . ?
B8 B7 B12 B9 37.40(13) . . . . ?
B8 B7 B12 B10 100.45(15) . . . . ?
B8 B7 B12 B11 137.96(13) . . . . ?
B8 B9 B10 B5 -100.67(14) . . . . ?
B8 B9 B10 B6 -63.13(17) . . . . ?
B8 B9 B10 B11 0.34(17) . . . . ?
B8 B9 B10 B12 37.84(12) . . . . ?
B8 B9 B12 B7 -37.16(13) . . . . ?
B8 B9 B12 B10 -137.76(13) . . . . ?
B8 B9 B12 B11 -100.20(14) . . . . ?
B9 B4 B5 C1 -135.28(14) . . . . ?
B9 B4 B5 B6 -100.18(14) . . . . ?
B9 B4 B5 B10 -37.27(14) . . . . ?
B9 B4 B8 B3 137.92(14) . . . . ?
B9 B4 B8 B7 100.39(15) . . . . ?
B9 B4 B8 B12 36.82(13) . . . . ?
B9 B5 B6 C1 -97.91(14) . . . . ?
B9 B5 B6 C2 -61.81(15) . . . . ?
B9 B5 B6 B10 37.35(13) . . . . ?
B9 B5 B6 B11 -0.57(18) . . . . ?
B9 B5 B10 B6 -138.06(14) . . . . ?
B9 B5 B10 B11 -100.39(16) . . . . ?
B9 B5 B10 B12 -37.16(13) . . . . ?
B9 B8 B12 B7 138.02(13) . . . . ?
B9 B8 B12 B10 37.56(13) . . . . ?
B9 B8 B12 B11 100.70(14) . . . . ?
B9 B10 B11 C2 -61.65(16) . . . . ?
B9 B10 B11 B6 -101.10(14) . . . . ?
B9 B10 B11 B7 -0.19(17) . . . . ?
B9 B10 B11 B12 37.60(12) . . . . ?
B9 B10 B12 B7 -100.37(15) . . . . ?
B9 B10 B12 B8 -37.65(13) . . . . ?
B9 B10 B12 B11 -137.82(13) . . . . ?
B10 B5 B6 C1 -135.25(13) . . . . ?
B10 B5 B6 C2 -99.16(13) . . . . ?
B10 B5 B6 B11 -37.92(13) . . . . ?
B10 B5 B9 B4 138.26(14) . . . . ?
B10 B5 B9 B8 100.94(16) . . . . ?
B10 B5 B9 B12 37.26(14) . . . . ?
B10 B6 B11 C2 -134.33(14) . . . . ?
B10 B6 B11 B7 -100.86(16) . . . . ?
B10 B6 B11 B12 -37.10(14) . . . . ?
B10 B9 B12 B7 100.60(14) . . . . ?
B10 B9 B12 B8 137.76(13) . . . . ?
B10 B9 B12 B11 37.56(13) . . . . ?
B10 B11 B12 B7 -137.89(14) . . . . ?
B10 B11 B12 B8 -100.73(15) . . . . ?
B10 B11 B12 B9 -37.51(13) . . . . ?
B11 C2 B3 C1 -102.57(13) . . . . ?
B11 C2 B3 B4 -65.98(15) . . . . ?
B11 C2 B3 B7 36.59(13) . . . . ?
B11 C2 B3 B8 -3.25(17) . . . . ?
B11 C2 B6 C1 139.21(13) . . . . ?
B11 C2 B6 B5 102.83(14) . . . . ?
B11 C2 B6 B10 40.09(14) . . . . ?
B11 C2 B7 B3 -142.15(13) . . . . ?
B11 C2 B7 B8 -102.60(14) . . . . ?
B11 C2 B7 B12 -39.75(13) . . . . ?
B11 B6 B10 B5 137.90(14) . . . . ?
B11 B6 B10 B9 100.36(15) . . . . ?
B11 B6 B10 B12 36.88(14) . . . . ?
B11 B7 B8 B3 -100.66(13) . . . . ?
B11 B7 B8 B4 -63.18(16) . . . . ?
B11 B7 B8 B9 0.24(16) . . . . ?
B11 B7 B8 B12 37.63(12) . . . . ?
B11 B7 B12 B8 -137.96(13) . . . . ?
B11 B7 B12 B9 -100.56(15) . . . . ?
B11 B7 B12 B10 -37.51(14) . . . . ?
B11 B10 B12 B7 37.45(13) . . . . ?
B11 B10 B12 B8 100.17(14) . . . . ?
B11 B10 B12 B9 137.82(13) . . . . ?
B12 B7 B8 B3 -138.29(13) . . . . ?
B12 B7 B8 B4 -100.81(15) . . . . ?
B12 B7 B8 B9 -37.39(12) . . . . ?
B12 B7 B11 C2 134.50(14) . . . . ?
B12 B7 B11 B6 100.86(16) . . . . ?
B12 B7 B11 B10 37.83(12) . . . . ?
B12 B8 B9 B4 -138.78(14) . . . . ?
B12 B8 B9 B5 -101.25(17) . . . . ?
B12 B8 B9 B10 -37.85(12) . . . . ?
B12 B9 B10 B5 -138.51(13) . . . . ?
B12 B9 B10 B6 -100.97(15) . . . . ?
B12 B9 B10 B11 -37.50(12) . . . . ?
B12 B10 B11 C2 -99.25(14) . . . . ?
B12 B10 B11 B6 -138.70(14) . . . . ?
B12 B10 B11 B7 -37.80(12) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
