# 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_siv8
_database_code_depnum_ccdc_archive 'CCDC 1995638'
loop_
_audit_author_name
_audit_author_address
'Kyrill Yu. Suponitsky'
;A N Nesmeyanov Institute of Organoelement Compounds, Moscow
Russia
;
_audit_update_record             
;
2020-04-08 deposited with the CCDC.	2020-06-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C10 H21 B10 N3'
_chemical_formula_sum            'C10 H21 B10 N3'
_chemical_formula_weight         291.40

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.4382(13)
_cell_length_b                   14.3212(13)
_cell_length_c                   19.2290(18)
_cell_angle_alpha                71.551(2)
_cell_angle_beta                 89.699(2)
_cell_angle_gamma                75.284(2)
_cell_volume                     3383.9(6)
_cell_formula_units_Z            8
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    6010
_cell_measurement_theta_min      2.24
_cell_measurement_theta_max      26.41

_exptl_crystal_description       prizm
_exptl_crystal_colour            red-orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.144
_exptl_crystal_F_000             1216
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.18
_exptl_absorpt_coefficient_mu    0.060
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            35762
_diffrn_reflns_av_unetI/netI     0.0945
_diffrn_reflns_av_R_equivalents  0.0717
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.572
_diffrn_reflns_theta_max         26.839
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             14444
_reflns_number_gt                8383
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'APEX (Bruker, 2014)'
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_structure_solution    'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_publication_material  
'SHELXL-2014/6 (Sheldrick, 2014) and PLATON (Spek, 2015)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0799P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14444
_refine_ls_number_parameters     1013
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1224
_refine_ls_R_factor_gt           0.0627
_refine_ls_wR_factor_ref         0.1721
_refine_ls_wR_factor_gt          0.1422
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_restrained_S_all      1.008
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
N1 N 0.22952(16) 0.84929(15) 0.36606(11) 0.0287(5) Uani 1 1 d . . . . .
N2 N 0.13319(16) 0.88821(15) 0.34940(11) 0.0261(5) Uani 1 1 d . . . . .
N3 N -0.07580(16) 1.20959(15) 0.44562(11) 0.0270(5) Uani 1 1 d . . . . .
C1 C 0.1963(2) 0.68558(18) 0.32905(13) 0.0264(6) Uani 1 1 d . . . . .
C2 C 0.2246(2) 0.76251(19) 0.25464(14) 0.0272(6) Uani 1 1 d . . . . .
B3 B 0.2721(2) 0.7631(2) 0.33838(15) 0.0246(6) Uani 1 1 d . . . . .
B4 B 0.2978(2) 0.6325(2) 0.39371(16) 0.0273(6) Uani 1 1 d . . . . .
B5 B 0.2604(2) 0.5625(2) 0.34160(17) 0.0295(7) Uani 1 1 d . . . . .
B6 B 0.2100(2) 0.6481(2) 0.25224(16) 0.0299(7) Uani 1 1 d . . . . .
B7 B 0.3479(2) 0.7695(2) 0.26185(16) 0.0281(6) Uani 1 1 d . . . . .
B8 B 0.3987(2) 0.6838(2) 0.35049(16) 0.0279(6) Uani 1 1 d . . . . .
B9 B 0.3926(2) 0.5593(2) 0.35331(16) 0.0285(6) Uani 1 1 d . . . . .
B10 B 0.3378(2) 0.5691(2) 0.26622(16) 0.0289(7) Uani 1 1 d . . . . .
B11 B 0.3103(2) 0.6990(2) 0.20966(16) 0.0283(6) Uani 1 1 d . . . . .
B12 B 0.4235(2) 0.6438(2) 0.27175(15) 0.0259(6) Uani 1 1 d . . . . .
C3 C 0.08663(19) 0.97000(17) 0.37490(12) 0.0240(5) Uani 1 1 d . . . . .
C4 C -0.01904(18) 1.01149(17) 0.35669(13) 0.0247(5) Uani 1 1 d . . . . .
H4A H -0.0543 0.9846 0.3282 0.030 Uiso 1 1 calc R U . . .
C5 C -0.07374(19) 1.09089(17) 0.37923(12) 0.0254(5) Uani 1 1 d . . . . .
H5A H -0.1457 1.1186 0.3655 0.030 Uiso 1 1 calc R U . . .
C6 C -0.02323(19) 1.13111(17) 0.42254(12) 0.0230(5) Uani 1 1 d . . . . .
C7 C 0.08426(18) 1.08814(17) 0.44091(13) 0.0250(5) Uani 1 1 d . . . . .
H7A H 0.1200 1.1139 0.4700 0.030 Uiso 1 1 calc R U . . .
C8 C 0.13772(19) 1.00982(17) 0.41737(13) 0.0251(5) Uani 1 1 d . . . . .
H8A H 0.2099 0.9825 0.4300 0.030 Uiso 1 1 calc R U . . .
C9 C -0.0226(2) 1.25316(19) 0.48805(14) 0.0326(6) Uani 1 1 d . . . . .
H9A H 0.0315 1.2785 0.4599 0.049 Uiso 1 1 calc R U . . .
H9B H 0.0084 1.2006 0.5346 0.049 Uiso 1 1 calc R U . . .
H9C H -0.0721 1.3097 0.4982 0.049 Uiso 1 1 calc R U . . .
C10 C -0.1861(2) 1.2499(2) 0.43113(15) 0.0371(7) Uani 1 1 d . . . . .
H10A H -0.2191 1.1937 0.4470 0.056 Uiso 1 1 calc R U . . .
H10B H -0.2032 1.2857 0.3783 0.056 Uiso 1 1 calc R U . . .
H10C H -0.2110 1.2977 0.4583 0.056 Uiso 1 1 calc R U . . .
N1' N 0.65033(16) 0.15012(15) 0.30417(11) 0.0284(5) Uani 1 1 d . . . . .
N2' N 0.57790(16) 0.10809(15) 0.30236(11) 0.0271(5) Uani 1 1 d . . . . .
N3' N 0.52928(16) -0.21473(15) 0.54321(10) 0.0263(5) Uani 1 1 d . . . . .
C1' C 0.6094(2) 0.22708(19) 0.15151(13) 0.0260(5) Uani 1 1 d . . . . .
C2' C 0.53409(19) 0.30876(19) 0.18420(13) 0.0258(5) Uani 1 1 d . . . . .
B3' B 0.6494(2) 0.2341(2) 0.23499(15) 0.0256(6) Uani 1 1 d . . . . .
B4' B 0.7349(2) 0.2222(2) 0.16597(16) 0.0274(6) Uani 1 1 d . . . . .
B5' B 0.6660(2) 0.2862(2) 0.07815(16) 0.0283(6) Uani 1 1 d . . . . .
B6' B 0.5350(2) 0.3388(2) 0.09025(16) 0.0300(7) Uani 1 1 d . . . . .
B7' B 0.6016(2) 0.3665(2) 0.22361(16) 0.0290(7) Uani 1 1 d . . . . .
B8' B 0.7329(2) 0.3139(2) 0.21073(15) 0.0283(6) Uani 1 1 d . . . . .
B9' B 0.7438(2) 0.3467(2) 0.11403(15) 0.0263(6) Uani 1 1 d . . . . .
B10' B 0.6194(2) 0.4186(2) 0.06752(16) 0.0287(7) Uani 1 1 d . . . . .
B11' B 0.5322(2) 0.4304(2) 0.13519(16) 0.0305(7) Uani 1 1 d . . . . .
B12' B 0.6609(2) 0.4358(2) 0.14937(16) 0.0300(7) Uani 1 1 d . . . . .
C3' C 0.57241(18) 0.02643(17) 0.36512(12) 0.0229(5) Uani 1 1 d . . . . .
C4' C 0.64200(19) -0.01494(18) 0.42805(12) 0.0249(5) Uani 1 1 d . . . . .
H4'A H 0.6992 0.0119 0.4303 0.030 Uiso 1 1 calc R U . . .
C5' C 0.62771(19) -0.09432(17) 0.48644(13) 0.0250(5) Uani 1 1 d . . . . .
H5'A H 0.6754 -0.1214 0.5288 0.030 Uiso 1 1 calc R U . . .
C6' C 0.54349(18) -0.13675(17) 0.48494(12) 0.0226(5) Uani 1 1 d . . . . .
C7' C 0.47463(19) -0.09482(18) 0.42047(12) 0.0247(5) Uani 1 1 d . . . . .
H7'A H 0.4177 -0.1217 0.4172 0.030 Uiso 1 1 calc R U . . .
C8' C 0.48998(18) -0.01539(17) 0.36264(13) 0.0249(5) Uani 1 1 d . . . . .
H8'A H 0.4432 0.0117 0.3198 0.030 Uiso 1 1 calc R U . . .
C9' C 0.4381(2) -0.2505(2) 0.54345(14) 0.0342(6) Uani 1 1 d . . . . .
H9'A H 0.3769 -0.1920 0.5294 0.051 Uiso 1 1 calc R U . . .
H9'B H 0.4330 -0.2959 0.5928 0.051 Uiso 1 1 calc R U . . .
H9'C H 0.4425 -0.2878 0.5083 0.051 Uiso 1 1 calc R U . . .
C10' C 0.6021(2) -0.26025(18) 0.60836(13) 0.0293(6) Uani 1 1 d . . . . .
H10D H 0.6712 -0.2859 0.5941 0.044 Uiso 1 1 calc R U . . .
H10E H 0.5808 -0.3168 0.6432 0.044 Uiso 1 1 calc R U . . .
H10F H 0.6033 -0.2086 0.6315 0.044 Uiso 1 1 calc R U . . .
N1" N 0.14091(17) 1.15138(16) 0.12903(11) 0.0312(5) Uani 1 1 d . . . . .
N2" N 0.07231(16) 1.10525(15) 0.15409(11) 0.0273(5) Uani 1 1 d . . . . .
N3" N 0.02445(16) 0.78633(15) 0.05991(11) 0.0266(5) Uani 1 1 d . . . . .
C1" C 0.0224(2) 1.30568(19) 0.17733(14) 0.0301(6) Uani 1 1 d . . . . .
C2" C 0.1012(2) 1.22702(19) 0.24655(14) 0.0280(6) Uani 1 1 d . . . . .
B3" B 0.1389(2) 1.2350(2) 0.15904(16) 0.0268(6) Uani 1 1 d . . . . .
B4" B 0.0854(3) 1.3668(2) 0.10888(17) 0.0354(7) Uani 1 1 d . . . . .
B5" B 0.0151(3) 1.4284(2) 0.1684(2) 0.0420(8) Uani 1 1 d . . . . .
B6" B 0.0235(3) 1.3367(3) 0.25658(19) 0.0379(8) Uani 1 1 d . . . . .
B7" B 0.2251(2) 1.2275(2) 0.23174(17) 0.0334(7) Uani 1 1 d . . . . .
B8" B 0.2175(3) 1.3204(2) 0.14327(17) 0.0337(7) Uani 1 1 d . . . . .
B9" B 0.1425(3) 1.4399(2) 0.14861(18) 0.0365(8) Uani 1 1 d . . . . .
B10" B 0.1042(3) 1.4202(3) 0.23997(19) 0.0381(8) Uani 1 1 d . . . . .
B11" B 0.1548(3) 1.2894(3) 0.29053(18) 0.0367(8) Uani 1 1 d . . . . .
B12" B 0.2286(2) 1.3532(2) 0.22434(17) 0.0324(7) Uani 1 1 d . . . . .
C3" C 0.06715(18) 1.02410(18) 0.12835(13) 0.0248(5) Uani 1 1 d . . . . .
C4" C -0.01014(19) 0.97668(18) 0.15508(13) 0.0258(5) Uani 1 1 d . . . . .
H4"A H -0.0539 0.9995 0.1887 0.031 Uiso 1 1 calc R U . . .
C5" C -0.02469(19) 0.89701(17) 0.13383(12) 0.0251(5) Uani 1 1 d . . . . .
H5"A H -0.0774 0.8652 0.1533 0.030 Uiso 1 1 calc R U . . .
C6" C 0.03892(18) 0.86292(17) 0.08314(12) 0.0231(5) Uani 1 1 d . . . . .
C7" C 0.11893(19) 0.91086(18) 0.05784(13) 0.0268(6) Uani 1 1 d . . . . .
H7"A H 0.1643 0.8878 0.0251 0.032 Uiso 1 1 calc R U . . .
C8" C 0.13208(19) 0.98952(18) 0.07958(13) 0.0278(6) Uani 1 1 d . . . . .
H8"A H 0.1856 1.0208 0.0614 0.033 Uiso 1 1 calc R U . . .
C9" C 0.0962(2) 0.74570(19) 0.01307(13) 0.0316(6) Uani 1 1 d . . . . .
H9"A H 0.0993 0.8010 -0.0319 0.047 Uiso 1 1 calc R U . . .
H9"B H 0.0727 0.6934 0.0003 0.047 Uiso 1 1 calc R U . . .
H9"C H 0.1650 0.7154 0.0393 0.047 Uiso 1 1 calc R U . . .
C10" C -0.0560(2) 0.7368(2) 0.08564(16) 0.0387(7) Uani 1 1 d . . . . .
H10G H -0.1199 0.7883 0.0859 0.058 Uiso 1 1 calc R U . . .
H10H H -0.0353 0.6889 0.1356 0.058 Uiso 1 1 calc R U . . .
H10I H -0.0676 0.6996 0.0529 0.058 Uiso 1 1 calc R U . . .
N1D N 0.72448(16) 0.83903(15) 0.20978(11) 0.0298(5) Uani 1 1 d . . . . .
N2D N 0.63000(16) 0.88345(15) 0.21096(11) 0.0267(5) Uani 1 1 d . . . . .
N3D N 0.42209(16) 1.20585(15) -0.03630(11) 0.0294(5) Uani 1 1 d . . . . .
C1D C 0.7211(2) 0.7563(2) 0.36285(13) 0.0275(6) Uani 1 1 d . . . . .
C2D C 0.6836(2) 0.68180(19) 0.32576(13) 0.0265(6) Uani 1 1 d . . . . .
B3D B 0.7645(2) 0.7517(2) 0.27832(15) 0.0262(6) Uani 1 1 d . . . . .
B4D B 0.8458(2) 0.7543(2) 0.34976(17) 0.0317(7) Uani 1 1 d . . . . .
B5D B 0.8068(2) 0.6882(2) 0.43682(16) 0.0311(7) Uani 1 1 d . . . . .
B6D B 0.6996(2) 0.6452(2) 0.42064(15) 0.0310(7) Uani 1 1 d . . . . .
B7D B 0.7800(3) 0.6219(2) 0.28526(16) 0.0321(7) Uani 1 1 d . . . . .
B8D B 0.8877(2) 0.6651(2) 0.30199(16) 0.0313(7) Uani 1 1 d . . . . .
B9D B 0.9146(2) 0.6256(2) 0.39909(16) 0.0319(7) Uani 1 1 d . . . . .
B10D B 0.8239(2) 0.5591(2) 0.44217(16) 0.0306(7) Uani 1 1 d . . . . .
B11D B 0.7404(3) 0.5568(2) 0.37198(17) 0.0334(7) Uani 1 1 d . . . . .
B12D B 0.8733(3) 0.5443(2) 0.35894(16) 0.0327(7) Uani 1 1 d . . . . .
C3D C 0.58473(19) 0.96608(17) 0.14696(13) 0.0250(5) Uani 1 1 d . . . . .
C4D C 0.6350(2) 1.00309(18) 0.08445(13) 0.0284(6) Uani 1 1 d . . . . .
H4DA H 0.7064 0.9731 0.0833 0.034 Uiso 1 1 calc R U . . .
C5D C 0.58227(19) 1.08231(18) 0.02452(13) 0.0264(6) Uani 1 1 d . . . . .
H5DA H 0.6180 1.1067 -0.0173 0.032 Uiso 1 1 calc R U . . .
C6D C 0.47484(19) 1.12852(17) 0.02416(12) 0.0237(5) Uani 1 1 d . . . . .
C7D C 0.4254(2) 1.09149(18) 0.08818(13) 0.0276(6) Uani 1 1 d . . . . .
H7DA H 0.3543 1.1215 0.0903 0.033 Uiso 1 1 calc R U . . .
C8D C 0.47999(19) 1.01188(17) 0.14780(13) 0.0266(5) Uani 1 1 d . . . . .
H8DA H 0.4454 0.9877 0.1903 0.032 Uiso 1 1 calc R U . . .
C9D C 0.3125(2) 1.2486(2) -0.04006(15) 0.0436(7) Uani 1 1 d . . . . .
H9DA H 0.2792 1.1939 -0.0182 0.065 Uiso 1 1 calc R U . . .
H9DB H 0.2857 1.2836 -0.0916 0.065 Uiso 1 1 calc R U . . .
H9DC H 0.2979 1.2976 -0.0130 0.065 Uiso 1 1 calc R U . . .
C10D C 0.4759(2) 1.2483(2) -0.09914(13) 0.0357(6) Uani 1 1 d . . . . .
H10J H 0.5305 1.2730 -0.0832 0.054 Uiso 1 1 calc R U . . .
H10K H 0.4270 1.3053 -0.1357 0.054 Uiso 1 1 calc R U . . .
H10L H 0.5064 1.1955 -0.1210 0.054 Uiso 1 1 calc R U . . .
H1 H 0.125(2) 0.7037(19) 0.3456(14) 0.036(7) Uiso 1 1 d . . . . .
H2 H 0.1720(19) 0.8217(18) 0.2300(12) 0.024(6) Uiso 1 1 d . . . . .
H4 H 0.2815(19) 0.6191(17) 0.4514(13) 0.028(7) Uiso 1 1 d . . . . .
H5 H 0.2221(19) 0.5054(18) 0.3669(12) 0.027(6) Uiso 1 1 d . . . . .
H6 H 0.139(2) 0.6491(19) 0.2229(13) 0.036(7) Uiso 1 1 d . . . . .
H7 H 0.366(2) 0.8399(19) 0.2334(13) 0.036(7) Uiso 1 1 d . . . . .
H8 H 0.459(2) 0.6937(18) 0.3806(13) 0.030(7) Uiso 1 1 d . . . . .
H9 H 0.451(2) 0.491(2) 0.3872(13) 0.039(7) Uiso 1 1 d . . . . .
H10 H 0.3558(19) 0.5093(18) 0.2423(12) 0.030(7) Uiso 1 1 d . . . . .
H11 H 0.306(2) 0.7262(19) 0.1478(14) 0.038(7) Uiso 1 1 d . . . . .
H12 H 0.5018(19) 0.6292(17) 0.2507(12) 0.027(6) Uiso 1 1 d . . . . .
H1' H 0.583(2) 0.169(2) 0.1547(14) 0.043(8) Uiso 1 1 d . . . . .
H2' H 0.473(2) 0.2892(19) 0.2022(13) 0.035(7) Uiso 1 1 d . . . . .
H4' H 0.7938(19) 0.1472(18) 0.1776(12) 0.031(7) Uiso 1 1 d . . . . .
H5' H 0.6839(19) 0.2573(18) 0.0333(13) 0.030(7) Uiso 1 1 d . . . . .
H6' H 0.473(2) 0.3323(19) 0.0625(13) 0.039(7) Uiso 1 1 d . . . . .
H7' H 0.5671(18) 0.3905(17) 0.2692(12) 0.024(6) Uiso 1 1 d . . . . .
H8' H 0.795(2) 0.3077(18) 0.2497(13) 0.036(7) Uiso 1 1 d . . . . .
H9' H 0.817(2) 0.3603(19) 0.0881(14) 0.043(8) Uiso 1 1 d . . . . .
H10' H 0.6141(19) 0.4769(18) 0.0155(13) 0.031(7) Uiso 1 1 d . . . . .
H11' H 0.466(2) 0.490(2) 0.1285(14) 0.045(8) Uiso 1 1 d . . . . .
H12' H 0.680(2) 0.5055(19) 0.1502(13) 0.034(7) Uiso 1 1 d . . . . .
H1" H -0.041(2) 1.2843(19) 0.1674(13) 0.034(7) Uiso 1 1 d . . . . .
H2" H 0.0827(19) 1.1664(19) 0.2711(13) 0.028(7) Uiso 1 1 d . . . . .
H4" H 0.060(2) 1.390(2) 0.0508(15) 0.047(8) Uiso 1 1 d . . . . .
H5" H -0.061(2) 1.488(2) 0.1473(15) 0.052(9) Uiso 1 1 d . . . . .
H6" H -0.041(2) 1.3315(18) 0.2911(13) 0.031(7) Uiso 1 1 d . . . . .
H7" H 0.286(2) 1.156(2) 0.2563(15) 0.051(8) Uiso 1 1 d . . . . .
H8" H 0.282(2) 1.315(2) 0.1053(14) 0.044(8) Uiso 1 1 d . . . . .
H9" H 0.154(2) 1.511(2) 0.1152(14) 0.042(8) Uiso 1 1 d . . . . .
H10" H 0.092(2) 1.480(2) 0.2678(15) 0.058(9) Uiso 1 1 d . . . . .
H11" H 0.174(2) 1.255(2) 0.3482(16) 0.054(9) Uiso 1 1 d . . . . .
H12" H 0.300(2) 1.366(2) 0.2398(14) 0.046(8) Uiso 1 1 d . . . . .
H1D H 0.671(2) 0.820(2) 0.3610(15) 0.051(9) Uiso 1 1 d . . . . .
H2D H 0.6108(19) 0.7084(17) 0.3046(12) 0.022(6) Uiso 1 1 d . . . . .
H4D H 0.8660(19) 0.8229(19) 0.3412(13) 0.032(7) Uiso 1 1 d . . . . .
H5D H 0.8040(19) 0.7171(18) 0.4815(13) 0.033(7) Uiso 1 1 d . . . . .
H6D H 0.631(2) 0.6466(18) 0.4540(13) 0.031(7) Uiso 1 1 d . . . . .
H7D H 0.7581(19) 0.6081(17) 0.2341(13) 0.028(7) Uiso 1 1 d . . . . .
H8D H 0.948(2) 0.6697(19) 0.2621(14) 0.042(8) Uiso 1 1 d . . . . .
H9D H 0.991(2) 0.611(2) 0.4219(15) 0.052(8) Uiso 1 1 d . . . . .
H10M H 0.8377(19) 0.4984(18) 0.4936(13) 0.032(7) Uiso 1 1 d . . . . .
H11D H 0.699(2) 0.5015(19) 0.3748(13) 0.032(7) Uiso 1 1 d . . . . .
H12D H 0.925(2) 0.470(2) 0.3573(14) 0.045(8) Uiso 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
N1 N2 1.270(3) . ?
N1 B3 1.479(3) . ?
N2 C3 1.411(3) . ?
N3 C6 1.367(3) . ?
N3 C10 1.440(3) . ?
N3 C9 1.456(3) . ?
C1 C2 1.618(3) . ?
C1 B5 1.694(4) . ?
C1 B4 1.696(4) . ?
C1 B6 1.718(4) . ?
C1 B3 1.734(4) . ?
C1 H1 1.00(3) . ?
C2 B11 1.690(4) . ?
C2 B7 1.693(4) . ?
C2 B6 1.714(4) . ?
C2 B3 1.738(4) . ?
C2 H2 0.94(2) . ?
B3 B8 1.758(4) . ?
B3 B7 1.777(4) . ?
B3 B4 1.779(4) . ?
B4 B9 1.776(4) . ?
B4 B5 1.778(4) . ?
B4 B8 1.782(4) . ?
B4 H4 1.10(2) . ?
B5 B10 1.772(4) . ?
B5 B9 1.780(4) . ?
B5 B6 1.781(4) . ?
B5 H5 1.06(2) . ?
B6 B10 1.768(4) . ?
B6 B11 1.769(4) . ?
B6 H6 1.11(3) . ?
B7 B8 1.772(4) . ?
B7 B12 1.779(4) . ?
B7 B11 1.785(4) . ?
B7 H7 1.07(3) . ?
B8 B12 1.783(4) . ?
B8 B9 1.789(4) . ?
B8 H8 1.06(3) . ?
B9 B12 1.772(4) . ?
B9 B10 1.783(4) . ?
B9 H9 1.11(3) . ?
B10 B11 1.777(4) . ?
B10 B12 1.784(4) . ?
B10 H10 1.07(2) . ?
B11 B12 1.782(4) . ?
B11 H11 1.13(2) . ?
B12 H12 1.12(2) . ?
C3 C4 1.392(3) . ?
C3 C8 1.401(3) . ?
C4 C5 1.380(3) . ?
C4 H4A 0.9500 . ?
C5 C6 1.412(3) . ?
C5 H5A 0.9500 . ?
C6 C7 1.416(3) . ?
C7 C8 1.374(3) . ?
C7 H7A 0.9500 . ?
C8 H8A 0.9500 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
N1' N2' 1.274(3) . ?
N1' B3' 1.482(3) . ?
N2' C3' 1.407(3) . ?
N3' C6' 1.361(3) . ?
N3' C9' 1.442(3) . ?
N3' C10' 1.457(3) . ?
C1' C2' 1.627(3) . ?
C1' B5' 1.686(4) . ?
C1' B4' 1.691(4) . ?
C1' B6' 1.719(4) . ?
C1' B3' 1.736(4) . ?
C1' H1' 0.97(3) . ?
C2' B11' 1.692(4) . ?
C2' B7' 1.693(4) . ?
C2' B6' 1.720(4) . ?
C2' B3' 1.735(4) . ?
C2' H2' 0.96(3) . ?
B3' B8' 1.758(4) . ?
B3' B4' 1.771(4) . ?
B3' B7' 1.783(4) . ?
B4' B5' 1.776(4) . ?
B4' B8' 1.779(4) . ?
B4' B9' 1.780(4) . ?
B4' H4' 1.12(2) . ?
B5' B6' 1.776(4) . ?
B5' B9' 1.779(4) . ?
B5' B10' 1.785(4) . ?
B5' H5' 1.07(2) . ?
B6' B10' 1.767(4) . ?
B6' B11' 1.778(4) . ?
B6' H6' 1.03(3) . ?
B7' B12' 1.775(4) . ?
B7' B8' 1.784(4) . ?
B7' B11' 1.788(4) . ?
B7' H7' 1.10(2) . ?
B8' B9' 1.783(4) . ?
B8' B12' 1.796(4) . ?
B8' H8' 1.09(3) . ?
B9' B12' 1.775(4) . ?
B9' B10' 1.792(4) . ?
B9' H9' 1.14(3) . ?
B10' B11' 1.766(4) . ?
B10' B12' 1.781(4) . ?
B10' H10' 1.07(2) . ?
B11' B12' 1.777(4) . ?
B11' H11' 1.04(3) . ?
B12' H12' 1.10(3) . ?
C3' C8' 1.394(3) . ?
C3' C4' 1.402(3) . ?
C4' C5' 1.375(3) . ?
C4' H4'A 0.9500 . ?
C5' C6' 1.418(3) . ?
C5' H5'A 0.9500 . ?
C6' C7' 1.419(3) . ?
C7' C8' 1.375(3) . ?
C7' H7'A 0.9500 . ?
C8' H8'A 0.9500 . ?
C9' H9'A 0.9800 . ?
C9' H9'B 0.9800 . ?
C9' H9'C 0.9800 . ?
C10' H10D 0.9800 . ?
C10' H10E 0.9800 . ?
C10' H10F 0.9800 . ?
N1" N2" 1.274(3) . ?
N1" B3" 1.479(3) . ?
N2" C3" 1.416(3) . ?
N3" C6" 1.364(3) . ?
N3" C10" 1.442(3) . ?
N3" C9" 1.455(3) . ?
C1" C2" 1.619(3) . ?
C1" B5" 1.688(4) . ?
C1" B4" 1.689(4) . ?
C1" B6" 1.718(4) . ?
C1" B3" 1.736(4) . ?
C1" H1" 1.02(3) . ?
C2" B11" 1.686(4) . ?
C2" B7" 1.690(4) . ?
C2" B6" 1.718(4) . ?
C2" B3" 1.732(4) . ?
C2" H2" 0.94(3) . ?
B3" B8" 1.766(4) . ?
B3" B7" 1.780(4) . ?
B3" B4" 1.783(4) . ?
B4" B8" 1.779(5) . ?
B4" B5" 1.784(5) . ?
B4" B9" 1.785(4) . ?
B4" H4" 1.09(3) . ?
B5" B6" 1.769(5) . ?
B5" B10" 1.785(5) . ?
B5" B9" 1.789(5) . ?
B5" H5" 1.13(3) . ?
B6" B10" 1.766(5) . ?
B6" B11" 1.767(5) . ?
B6" H6" 1.09(3) . ?
B7" B12" 1.774(4) . ?
B7" B11" 1.776(5) . ?
B7" B8" 1.782(4) . ?
B7" H7" 1.10(3) . ?
B8" B12" 1.782(4) . ?
B8" B9" 1.786(5) . ?
B8" H8" 1.13(3) . ?
B9" B12" 1.773(4) . ?
B9" B10" 1.784(5) . ?
B9" H9" 1.06(3) . ?
B10" B11" 1.768(5) . ?
B10" B12" 1.780(5) . ?
B10" H10" 1.12(3) . ?
B11" B12" 1.775(5) . ?
B11" H11" 1.06(3) . ?
B12" H12" 1.08(3) . ?
C3" C4" 1.391(3) . ?
C3" C8" 1.397(3) . ?
C4" C5" 1.384(3) . ?
C4" H4"A 0.9500 . ?
C5" C6" 1.414(3) . ?
C5" H5"A 0.9500 . ?
C6" C7" 1.422(3) . ?
C7" C8" 1.369(3) . ?
C7" H7"A 0.9500 . ?
C8" H8"A 0.9500 . ?
C9" H9"A 0.9800 . ?
C9" H9"B 0.9800 . ?
C9" H9"C 0.9800 . ?
C10" H10G 0.9800 . ?
C10" H10H 0.9800 . ?
C10" H10I 0.9800 . ?
N1D N2D 1.271(3) . ?
N1D B3D 1.488(3) . ?
N2D C3D 1.416(3) . ?
N3D C6D 1.369(3) . ?
N3D C9D 1.437(3) . ?
N3D C10D 1.450(3) . ?
C1D C2D 1.631(3) . ?
C1D B4D 1.688(4) . ?
C1D B5D 1.694(4) . ?
C1D B6D 1.721(4) . ?
C1D B3D 1.739(4) . ?
C1D H1D 0.98(3) . ?
C2D B7D 1.694(4) . ?
C2D B11D 1.698(4) . ?
C2D B3D 1.727(4) . ?
C2D B6D 1.730(4) . ?
C2D H2D 0.99(2) . ?
B3D B8D 1.759(4) . ?
B3D B4D 1.775(4) . ?
B3D B7D 1.779(4) . ?
B4D B8D 1.779(4) . ?
B4D B9D 1.785(4) . ?
B4D B5D 1.792(4) . ?
B4D H4D 1.05(3) . ?
B5D B6D 1.769(4) . ?
B5D B10D 1.773(4) . ?
B5D B9D 1.780(4) . ?
B5D H5D 1.06(2) . ?
B6D B10D 1.766(4) . ?
B6D B11D 1.781(4) . ?
B6D H6D 1.12(3) . ?
B7D B12D 1.769(4) . ?
B7D B8D 1.780(5) . ?
B7D B11D 1.787(4) . ?
B7D H7D 1.12(2) . ?
B8D B9D 1.781(4) . ?
B8D B12D 1.789(4) . ?
B8D H8D 1.12(3) . ?
B9D B10D 1.777(4) . ?
B9D B12D 1.779(4) . ?
B9D H9D 1.06(3) . ?
B10D B11D 1.774(4) . ?
B10D B12D 1.783(4) . ?
B10D H10M 1.07(2) . ?
B11D B12D 1.774(5) . ?
B11D H11D 1.06(3) . ?
B12D H12D 1.13(3) . ?
C3D C8D 1.396(3) . ?
C3D C4D 1.397(3) . ?
C4D C5D 1.374(3) . ?
C4D H4DA 0.9500 . ?
C5D C6D 1.426(3) . ?
C5D H5DA 0.9500 . ?
C6D C7D 1.412(3) . ?
C7D C8D 1.382(3) . ?
C7D H7DA 0.9500 . ?
C8D H8DA 0.9500 . ?
C9D H9DA 0.9800 . ?
C9D H9DB 0.9800 . ?
C9D H9DC 0.9800 . ?
C10D H10J 0.9800 . ?
C10D H10K 0.9800 . ?
C10D H10L 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
N2 N1 B3 113.1(2) . . ?
N1 N2 C3 116.4(2) . . ?
C6 N3 C10 121.4(2) . . ?
C6 N3 C9 121.1(2) . . ?
C10 N3 C9 117.5(2) . . ?
C2 C1 B5 111.7(2) . . ?
C2 C1 B4 111.8(2) . . ?
B5 C1 B4 63.25(17) . . ?
C2 C1 B6 61.75(16) . . ?
B5 C1 B6 62.91(17) . . ?
B4 C1 B6 115.7(2) . . ?
C2 C1 B3 62.37(16) . . ?
B5 C1 B3 115.4(2) . . ?
B4 C1 B3 62.46(16) . . ?
B6 C1 B3 116.2(2) . . ?
C2 C1 H1 118.6(15) . . ?
B5 C1 H1 121.2(15) . . ?
B4 C1 H1 118.3(15) . . ?
B6 C1 H1 118.2(15) . . ?
B3 C1 H1 113.7(15) . . ?
C1 C2 B11 111.7(2) . . ?
C1 C2 B7 111.6(2) . . ?
B11 C2 B7 63.68(17) . . ?
C1 C2 B6 62.02(16) . . ?
B11 C2 B6 62.61(17) . . ?
B7 C2 B6 115.8(2) . . ?
C1 C2 B3 62.11(15) . . ?
B11 C2 B3 115.6(2) . . ?
B7 C2 B3 62.34(16) . . ?
B6 C2 B3 116.2(2) . . ?
C1 C2 H2 116.6(15) . . ?
B11 C2 H2 122.6(14) . . ?
B7 C2 H2 120.0(15) . . ?
B6 C2 H2 117.3(15) . . ?
B3 C2 H2 113.3(14) . . ?
N1 B3 C1 120.4(2) . . ?
N1 B3 C2 121.1(2) . . ?
C1 B3 C2 55.52(14) . . ?
N1 B3 B8 129.3(2) . . ?
C1 B3 B8 103.67(19) . . ?
C2 B3 B8 103.38(19) . . ?
N1 B3 B7 124.8(2) . . ?
C1 B3 B7 102.51(19) . . ?
C2 B3 B7 57.58(15) . . ?
B8 B3 B7 60.17(16) . . ?
N1 B3 B4 123.7(2) . . ?
C1 B3 B4 57.73(15) . . ?
C2 B3 B4 102.54(19) . . ?
B8 B3 B4 60.52(16) . . ?
B7 B3 B4 107.6(2) . . ?
C1 B4 B9 104.1(2) . . ?
C1 B4 B5 58.30(16) . . ?
B9 B4 B5 60.11(17) . . ?
C1 B4 B3 59.81(15) . . ?
B9 B4 B3 108.2(2) . . ?
B5 B4 B3 109.2(2) . . ?
C1 B4 B8 104.2(2) . . ?
B9 B4 B8 60.37(17) . . ?
B5 B4 B8 108.4(2) . . ?
B3 B4 B8 59.17(16) . . ?
C1 B4 H4 117.8(13) . . ?
B9 B4 H4 130.2(12) . . ?
B5 B4 H4 121.7(13) . . ?
B3 B4 H4 115.3(12) . . ?
B8 B4 H4 126.1(13) . . ?
C1 B5 B10 104.4(2) . . ?
C1 B5 B4 58.45(15) . . ?
B10 B5 B4 108.3(2) . . ?
C1 B5 B9 104.1(2) . . ?
B10 B5 B9 60.27(17) . . ?
B4 B5 B9 59.90(17) . . ?
C1 B5 B6 59.22(16) . . ?
B10 B5 B6 59.70(17) . . ?
B4 B5 B6 108.7(2) . . ?
B9 B5 B6 108.2(2) . . ?
C1 B5 H5 117.6(13) . . ?
B10 B5 H5 127.6(13) . . ?
B4 B5 H5 119.6(13) . . ?
B9 B5 H5 129.1(13) . . ?
B6 B5 H5 117.5(13) . . ?
C2 B6 C1 56.23(15) . . ?
C2 B6 B10 103.8(2) . . ?
C1 B6 B10 103.5(2) . . ?
C2 B6 B11 58.03(16) . . ?
C1 B6 B11 103.4(2) . . ?
B10 B6 B11 60.31(17) . . ?
C2 B6 B5 103.3(2) . . ?
C1 B6 B5 57.87(15) . . ?
B10 B6 B5 59.91(17) . . ?
B11 B6 B5 107.7(2) . . ?
C2 B6 H6 117.6(13) . . ?
C1 B6 H6 117.4(13) . . ?
B10 B6 H6 132.9(13) . . ?
B11 B6 H6 125.0(13) . . ?
B5 B6 H6 124.6(13) . . ?
C2 B7 B8 104.7(2) . . ?
C2 B7 B3 60.08(16) . . ?
B8 B7 B3 59.40(16) . . ?
C2 B7 B12 104.0(2) . . ?
B8 B7 B12 60.28(16) . . ?
B3 B7 B12 108.1(2) . . ?
C2 B7 B11 58.07(16) . . ?
B8 B7 B11 108.4(2) . . ?
B3 B7 B11 109.1(2) . . ?
B12 B7 B11 59.99(16) . . ?
C2 B7 H7 118.9(14) . . ?
B8 B7 H7 127.3(14) . . ?
B3 B7 H7 118.9(14) . . ?
B12 B7 H7 127.3(14) . . ?
B11 B7 H7 119.0(13) . . ?
B3 B8 B7 60.43(16) . . ?
B3 B8 B4 60.32(16) . . ?
B7 B8 B4 107.7(2) . . ?
B3 B8 B12 108.8(2) . . ?
B7 B8 B12 60.06(16) . . ?
B4 B8 B12 107.2(2) . . ?
B3 B8 B9 108.6(2) . . ?
B7 B8 B9 107.6(2) . . ?
B4 B8 B9 59.63(17) . . ?
B12 B8 B9 59.50(16) . . ?
B3 B8 H8 122.0(13) . . ?
B7 B8 H8 122.0(13) . . ?
B4 B8 H8 122.7(13) . . ?
B12 B8 H8 120.8(13) . . ?
B9 B8 H8 121.1(13) . . ?
B12 B9 B4 108.0(2) . . ?
B12 B9 B5 107.8(2) . . ?
B4 B9 B5 60.00(16) . . ?
B12 B9 B10 60.22(16) . . ?
B4 B9 B10 107.9(2) . . ?
B5 B9 B10 59.65(17) . . ?
B12 B9 B8 60.08(16) . . ?
B4 B9 B8 60.00(16) . . ?
B5 B9 B8 108.0(2) . . ?
B10 B9 B8 108.3(2) . . ?
B12 B9 H9 121.1(14) . . ?
B4 B9 H9 121.7(13) . . ?
B5 B9 H9 122.9(14) . . ?
B10 B9 H9 122.4(13) . . ?
B8 B9 H9 120.5(13) . . ?
B6 B10 B5 60.39(17) . . ?
B6 B10 B11 59.86(17) . . ?
B5 B10 B11 107.8(2) . . ?
B6 B10 B9 108.6(2) . . ?
B5 B10 B9 60.07(17) . . ?
B11 B10 B9 107.7(2) . . ?
B6 B10 B12 108.2(2) . . ?
B5 B10 B12 107.6(2) . . ?
B11 B10 B12 60.05(16) . . ?
B9 B10 B12 59.59(16) . . ?
B6 B10 H10 118.6(13) . . ?
B5 B10 H10 121.6(13) . . ?
B11 B10 H10 120.5(12) . . ?
B9 B10 H10 124.3(13) . . ?
B12 B10 H10 123.6(14) . . ?
C2 B11 B6 59.36(16) . . ?
C2 B11 B10 104.4(2) . . ?
B6 B11 B10 59.83(17) . . ?
C2 B11 B12 104.0(2) . . ?
B6 B11 B12 108.3(2) . . ?
B10 B11 B12 60.17(16) . . ?
C2 B11 B7 58.25(16) . . ?
B6 B11 B7 108.6(2) . . ?
B10 B11 B7 108.1(2) . . ?
B12 B11 B7 59.84(16) . . ?
C2 B11 H11 120.7(13) . . ?
B6 B11 H11 117.8(14) . . ?
B10 B11 H11 124.9(13) . . ?
B12 B11 H11 127.1(14) . . ?
B7 B11 H11 121.5(13) . . ?
B9 B12 B7 108.0(2) . . ?
B9 B12 B11 108.0(2) . . ?
B7 B12 B11 60.17(16) . . ?
B9 B12 B8 60.42(16) . . ?
B7 B12 B8 59.66(16) . . ?
B11 B12 B8 108.0(2) . . ?
B9 B12 B10 60.19(17) . . ?
B7 B12 B10 108.0(2) . . ?
B11 B12 B10 59.78(16) . . ?
B8 B12 B10 108.5(2) . . ?
B9 B12 H12 122.3(12) . . ?
B7 B12 H12 121.8(12) . . ?
B11 B12 H12 120.6(12) . . ?
B8 B12 H12 122.7(12) . . ?
B10 B12 H12 120.9(12) . . ?
C4 C3 C8 118.9(2) . . ?
C4 C3 N2 115.8(2) . . ?
C8 C3 N2 125.3(2) . . ?
C5 C4 C3 121.4(2) . . ?
C5 C4 H4A 119.3 . . ?
C3 C4 H4A 119.3 . . ?
C4 C5 C6 120.3(2) . . ?
C4 C5 H5A 119.9 . . ?
C6 C5 H5A 119.9 . . ?
N3 C6 C5 121.3(2) . . ?
N3 C6 C7 120.8(2) . . ?
C5 C6 C7 117.9(2) . . ?
C8 C7 C6 121.1(2) . . ?
C8 C7 H7A 119.5 . . ?
C6 C7 H7A 119.5 . . ?
C7 C8 C3 120.5(2) . . ?
C7 C8 H8A 119.7 . . ?
C3 C8 H8A 119.7 . . ?
N3 C9 H9A 109.5 . . ?
N3 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N3 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N3 C10 H10A 109.5 . . ?
N3 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
N3 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N2' N1' B3' 112.2(2) . . ?
N1' N2' C3' 116.9(2) . . ?
C6' N3' C9' 120.4(2) . . ?
C6' N3' C10' 121.3(2) . . ?
C9' N3' C10' 118.3(2) . . ?
C2' C1' B5' 111.4(2) . . ?
C2' C1' B4' 111.4(2) . . ?
B5' C1' B4' 63.46(17) . . ?
C2' C1' B6' 61.82(16) . . ?
B5' C1' B6' 62.86(16) . . ?
B4' C1' B6' 115.9(2) . . ?
C2' C1' B3' 62.04(15) . . ?
B5' C1' B3' 115.2(2) . . ?
B4' C1' B3' 62.23(16) . . ?
B6' C1' B3' 116.1(2) . . ?
C2' C1' H1' 112.8(17) . . ?
B5' C1' H1' 123.7(16) . . ?
B4' C1' H1' 125.4(17) . . ?
B6' C1' H1' 112.5(16) . . ?
B3' C1' H1' 115.4(16) . . ?
C1' C2' B11' 111.7(2) . . ?
C1' C2' B7' 111.9(2) . . ?
B11' C2' B7' 63.77(17) . . ?
C1' C2' B6' 61.73(16) . . ?
B11' C2' B6' 62.80(17) . . ?
B7' C2' B6' 116.0(2) . . ?
C1' C2' B3' 62.08(15) . . ?
B11' C2' B3' 115.9(2) . . ?
B7' C2' B3' 62.64(16) . . ?
B6' C2' B3' 116.0(2) . . ?
C1' C2' H2' 113.2(15) . . ?
B11' C2' H2' 122.6(15) . . ?
B7' C2' H2' 124.8(15) . . ?
B6' C2' H2' 112.4(15) . . ?
B3' C2' H2' 115.8(15) . . ?
N1' B3' C2' 120.8(2) . . ?
N1' B3' C1' 120.2(2) . . ?
C2' B3' C1' 55.88(14) . . ?
N1' B3' B8' 129.4(2) . . ?
C2' B3' B8' 103.63(19) . . ?
C1' B3' B8' 103.79(19) . . ?
N1' B3' B4' 123.7(2) . . ?
C2' B3' B4' 102.76(18) . . ?
C1' B3' B4' 57.63(15) . . ?
B8' B3' B4' 60.51(17) . . ?
N1' B3' B7' 124.6(2) . . ?
C2' B3' B7' 57.51(15) . . ?
C1' B3' B7' 102.82(19) . . ?
B8' B3' B7' 60.48(17) . . ?
B4' B3' B7' 107.9(2) . . ?
C1' B4' B3' 60.14(16) . . ?
C1' B4' B5' 58.14(16) . . ?
B3' B4' B5' 109.1(2) . . ?
C1' B4' B8' 104.8(2) . . ?
B3' B4' B8' 59.38(16) . . ?
B5' B4' B8' 108.4(2) . . ?
C1' B4' B9' 104.04(19) . . ?
B3' B4' B9' 108.0(2) . . ?
B5' B4' B9' 60.05(16) . . ?
B8' B4' B9' 60.12(16) . . ?
C1' B4' H4' 118.5(13) . . ?
B3' B4' H4' 116.5(12) . . ?
B5' B4' H4' 121.1(12) . . ?
B8' B4' H4' 125.9(12) . . ?
B9' B4' H4' 129.1(13) . . ?
C1' B5' B6' 59.47(16) . . ?
C1' B5' B4' 58.40(16) . . ?
B6' B5' B4' 108.9(2) . . ?
C1' B5' B9' 104.3(2) . . ?
B6' B5' B9' 108.2(2) . . ?
B4' B5' B9' 60.09(16) . . ?
C1' B5' B10' 104.5(2) . . ?
B6' B5' B10' 59.50(17) . . ?
B4' B5' B10' 108.5(2) . . ?
B9' B5' B10' 60.36(16) . . ?
C1' B5' H5' 122.5(13) . . ?
B6' B5' H5' 119.4(13) . . ?
B4' B5' H5' 121.1(13) . . ?
B9' B5' H5' 124.9(14) . . ?
B10' B5' H5' 123.9(13) . . ?
C1' B6' C2' 56.45(14) . . ?
C1' B6' B10' 103.9(2) . . ?
C2' B6' B10' 103.3(2) . . ?
C1' B6' B5' 57.67(16) . . ?
C2' B6' B5' 103.06(19) . . ?
B10' B6' B5' 60.51(17) . . ?
C1' B6' B11' 103.53(19) . . ?
C2' B6' B11' 57.82(16) . . ?
B10' B6' B11' 59.76(17) . . ?
B5' B6' B11' 107.7(2) . . ?
C1' B6' H6' 115.7(14) . . ?
C2' B6' H6' 117.1(14) . . ?
B10' B6' H6' 134.2(14) . . ?
B5' B6' H6' 124.1(14) . . ?
B11' B6' H6' 126.0(14) . . ?
C2' B7' B12' 103.8(2) . . ?
C2' B7' B3' 59.84(15) . . ?
B12' B7' B3' 108.1(2) . . ?
C2' B7' B8' 104.3(2) . . ?
B12' B7' B8' 60.63(17) . . ?
B3' B7' B8' 59.09(16) . . ?
C2' B7' B11' 58.09(16) . . ?
B12' B7' B11' 59.83(17) . . ?
B3' B7' B11' 108.9(2) . . ?
B8' B7' B11' 108.4(2) . . ?
C2' B7' H7' 116.3(13) . . ?
B12' B7' H7' 127.9(12) . . ?
B3' B7' H7' 120.0(12) . . ?
B8' B7' H7' 130.7(12) . . ?
B11' B7' H7' 116.1(12) . . ?
B3' B8' B4' 60.10(16) . . ?
B3' B8' B9' 108.4(2) . . ?
B4' B8' B9' 59.98(16) . . ?
B3' B8' B7' 60.42(17) . . ?
B4' B8' B7' 107.5(2) . . ?
B9' B8' B7' 107.1(2) . . ?
B3' B8' B12' 108.2(2) . . ?
B4' B8' B12' 107.3(2) . . ?
B9' B8' B12' 59.46(16) . . ?
B7' B8' B12' 59.45(17) . . ?
B3' B8' H8' 120.9(13) . . ?
B4' B8' H8' 123.7(13) . . ?
B9' B8' H8' 123.2(14) . . ?
B7' B8' H8' 120.4(13) . . ?
B12' B8' H8' 121.3(13) . . ?
B12' B9' B5' 107.9(2) . . ?
B12' B9' B4' 108.2(2) . . ?
B5' B9' B4' 59.86(16) . . ?
B12' B9' B8' 60.64(16) . . ?
B5' B9' B8' 108.1(2) . . ?
B4' B9' B8' 59.89(16) . . ?
B12' B9' B10' 59.90(16) . . ?
B5' B9' B10' 59.97(16) . . ?
B4' B9' B10' 108.0(2) . . ?
B8' B9' B10' 108.6(2) . . ?
B12' B9' H9' 122.3(13) . . ?
B5' B9' H9' 120.7(13) . . ?
B4' B9' H9' 121.8(13) . . ?
B8' B9' H9' 122.5(13) . . ?
B10' B9' H9' 120.8(13) . . ?
B11' B10' B6' 60.42(17) . . ?
B11' B10' B12' 60.13(17) . . ?
B6' B10' B12' 108.5(2) . . ?
B11' B10' B5' 107.8(2) . . ?
B6' B10' B5' 59.99(17) . . ?
B12' B10' B5' 107.4(2) . . ?
B11' B10' B9' 107.7(2) . . ?
B6' B10' B9' 108.1(2) . . ?
B12' B10' B9' 59.57(16) . . ?
B5' B10' B9' 59.66(16) . . ?
B11' B10' H10' 123.1(13) . . ?
B6' B10' H10' 123.6(13) . . ?
B12' B10' H10' 120.3(13) . . ?
B5' B10' H10' 122.1(13) . . ?
B9' B10' H10' 119.6(14) . . ?
C2' B11' B10' 104.5(2) . . ?
C2' B11' B12' 103.8(2) . . ?
B10' B11' B12' 60.35(17) . . ?
C2' B11' B6' 59.38(16) . . ?
B10' B11' B6' 59.81(17) . . ?
B12' B11' B6' 108.2(2) . . ?
C2' B11' B7' 58.14(15) . . ?
B10' B11' B7' 108.2(2) . . ?
B12' B11' B7' 59.72(17) . . ?
B6' B11' B7' 108.6(2) . . ?
C2' B11' H11' 121.0(15) . . ?
B10' B11' H11' 125.5(15) . . ?
B12' B11' H11' 126.0(15) . . ?
B6' B11' H11' 119.5(15) . . ?
B7' B11' H11' 120.1(14) . . ?
B9' B12' B7' 107.9(2) . . ?
B9' B12' B11' 108.0(2) . . ?
B7' B12' B11' 60.45(17) . . ?
B9' B12' B10' 60.53(16) . . ?
B7' B12' B10' 108.1(2) . . ?
B11' B12' B10' 59.53(17) . . ?
B9' B12' B8' 59.90(16) . . ?
B7' B12' B8' 59.92(16) . . ?
B11' B12' B8' 108.3(2) . . ?
B10' B12' B8' 108.5(2) . . ?
B9' B12' H12' 121.6(14) . . ?
B7' B12' H12' 120.6(13) . . ?
B11' B12' H12' 122.9(13) . . ?
B10' B12' H12' 123.3(13) . . ?
B8' B12' H12' 119.7(13) . . ?
C8' C3' C4' 118.8(2) . . ?
C8' C3' N2' 115.6(2) . . ?
C4' C3' N2' 125.6(2) . . ?
C5' C4' C3' 120.2(2) . . ?
C5' C4' H4'A 119.9 . . ?
C3' C4' H4'A 119.9 . . ?
C4' C5' C6' 121.5(2) . . ?
C4' C5' H5'A 119.2 . . ?
C6' C5' H5'A 119.2 . . ?
N3' C6' C5' 121.2(2) . . ?
N3' C6' C7' 121.3(2) . . ?
C5' C6' C7' 117.5(2) . . ?
C8' C7' C6' 120.2(2) . . ?
C8' C7' H7'A 119.9 . . ?
C6' C7' H7'A 119.9 . . ?
C7' C8' C3' 121.7(2) . . ?
C7' C8' H8'A 119.1 . . ?
C3' C8' H8'A 119.1 . . ?
N3' C9' H9'A 109.5 . . ?
N3' C9' H9'B 109.5 . . ?
H9'A C9' H9'B 109.5 . . ?
N3' C9' H9'C 109.5 . . ?
H9'A C9' H9'C 109.5 . . ?
H9'B C9' H9'C 109.5 . . ?
N3' C10' H10D 109.5 . . ?
N3' C10' H10E 109.5 . . ?
H10D C10' H10E 109.5 . . ?
N3' C10' H10F 109.5 . . ?
H10D C10' H10F 109.5 . . ?
H10E C10' H10F 109.5 . . ?
N2" N1" B3" 112.0(2) . . ?
N1" N2" C3" 116.5(2) . . ?
C6" N3" C10" 121.7(2) . . ?
C6" N3" C9" 120.5(2) . . ?
C10" N3" C9" 117.6(2) . . ?
C2" C1" B5" 111.7(2) . . ?
C2" C1" B4" 111.7(2) . . ?
B5" C1" B4" 63.8(2) . . ?
C2" C1" B6" 61.89(17) . . ?
B5" C1" B6" 62.57(19) . . ?
B4" C1" B6" 115.7(2) . . ?
C2" C1" B3" 62.05(16) . . ?
B5" C1" B3" 116.1(2) . . ?
B4" C1" B3" 62.71(17) . . ?
B6" C1" B3" 116.2(2) . . ?
C2" C1" H1" 116.0(14) . . ?
B5" C1" H1" 121.0(14) . . ?
B4" C1" H1" 122.3(14) . . ?
B6" C1" H1" 114.3(14) . . ?
B3" C1" H1" 115.9(14) . . ?
C1" C2" B11" 111.5(2) . . ?
C1" C2" B7" 111.8(2) . . ?
B11" C2" B7" 63.50(19) . . ?
C1" C2" B6" 61.89(17) . . ?
B11" C2" B6" 62.53(18) . . ?
B7" C2" B6" 115.7(2) . . ?
C1" C2" B3" 62.29(16) . . ?
B11" C2" B3" 115.8(2) . . ?
B7" C2" B3" 62.66(17) . . ?
B6" C2" B3" 116.4(2) . . ?
C1" C2" H2" 115.1(15) . . ?
B11" C2" H2" 123.2(15) . . ?
B7" C2" H2" 121.8(15) . . ?
B6" C2" H2" 115.8(15) . . ?
B3" C2" H2" 113.7(15) . . ?
N1" B3" C2" 120.7(2) . . ?
N1" B3" C1" 120.1(2) . . ?
C2" B3" C1" 55.66(15) . . ?
N1" B3" B8" 130.1(2) . . ?
C2" B3" B8" 103.2(2) . . ?
C1" B3" B8" 103.1(2) . . ?
N1" B3" B7" 125.1(2) . . ?
C2" B3" B7" 57.50(16) . . ?
C1" B3" B7" 102.4(2) . . ?
B8" B3" B7" 60.33(17) . . ?
N1" B3" B4" 123.9(2) . . ?
C2" B3" B4" 102.3(2) . . ?
C1" B3" B4" 57.34(17) . . ?
B8" B3" B4" 60.17(18) . . ?
B7" B3" B4" 107.5(2) . . ?
C1" B4" B8" 104.5(2) . . ?
C1" B4" B3" 59.95(16) . . ?
B8" B4" B3" 59.47(17) . . ?
C1" B4" B5" 58.08(18) . . ?
B8" B4" B5" 108.3(2) . . ?
B3" B4" B5" 109.1(2) . . ?
C1" B4" B9" 104.0(2) . . ?
B8" B4" B9" 60.14(18) . . ?
B3" B4" B9" 108.2(2) . . ?
B5" B4" B9" 60.15(19) . . ?
C1" B4" H4" 123.5(15) . . ?
B8" B4" H4" 123.3(15) . . ?
B3" B4" H4" 119.6(14) . . ?
B5" B4" H4" 121.3(15) . . ?
B9" B4" H4" 124.2(15) . . ?
C1" B5" B6" 59.56(17) . . ?
C1" B5" B4" 58.13(17) . . ?
B6" B5" B4" 108.6(2) . . ?
C1" B5" B10" 104.4(2) . . ?
B6" B5" B10" 59.61(19) . . ?
B4" B5" B10" 107.9(2) . . ?
C1" B5" B9" 103.9(2) . . ?
B6" B5" B9" 107.9(2) . . ?
B4" B5" B9" 59.95(19) . . ?
B10" B5" B9" 59.89(19) . . ?
C1" B5" H5" 119.1(15) . . ?
B6" B5" H5" 118.2(15) . . ?
B4" B5" H5" 120.2(14) . . ?
B10" B5" H5" 126.8(14) . . ?
B9" B5" H5" 128.0(15) . . ?
C2" B6" C1" 56.22(15) . . ?
C2" B6" B10" 103.7(2) . . ?
C1" B6" B10" 103.9(2) . . ?
C2" B6" B11" 57.84(17) . . ?
C1" B6" B11" 103.2(2) . . ?
B10" B6" B11" 60.05(19) . . ?
C2" B6" B5" 103.4(2) . . ?
C1" B6" B5" 57.87(17) . . ?
B10" B6" B5" 60.65(19) . . ?
B11" B6" B5" 108.1(2) . . ?
C2" B6" H6" 119.0(13) . . ?
C1" B6" H6" 119.5(13) . . ?
B10" B6" H6" 130.7(13) . . ?
B11" B6" H6" 124.0(13) . . ?
B5" B6" H6" 124.5(13) . . ?
C2" B7" B12" 104.0(2) . . ?
C2" B7" B11" 58.15(17) . . ?
B12" B7" B11" 59.99(18) . . ?
C2" B7" B3" 59.84(16) . . ?
B12" B7" B3" 108.3(2) . . ?
B11" B7" B3" 109.0(2) . . ?
C2" B7" B8" 104.4(2) . . ?
B12" B7" B8" 60.16(17) . . ?
B11" B7" B8" 108.1(2) . . ?
B3" B7" B8" 59.47(17) . . ?
C2" B7" H7" 118.5(15) . . ?
B12" B7" H7" 127.7(15) . . ?
B11" B7" H7" 118.9(14) . . ?
B3" B7" H7" 118.6(14) . . ?
B8" B7" H7" 127.9(15) . . ?
B3" B8" B4" 60.37(17) . . ?
B3" B8" B7" 60.20(17) . . ?
B4" B8" B7" 107.5(2) . . ?
B3" B8" B12" 108.5(2) . . ?
B4" B8" B12" 107.5(2) . . ?
B7" B8" B12" 59.69(17) . . ?
B3" B8" B9" 108.9(2) . . ?
B4" B8" B9" 60.09(18) . . ?
B7" B8" B9" 107.4(2) . . ?
B12" B8" B9" 59.60(18) . . ?
B3" B8" H8" 120.3(14) . . ?
B4" B8" H8" 121.7(13) . . ?
B7" B8" H8" 122.1(13) . . ?
B12" B8" H8" 122.5(14) . . ?
B9" B8" H8" 122.1(14) . . ?
B12" B9" B10" 60.06(19) . . ?
B12" B9" B4" 107.7(2) . . ?
B10" B9" B4" 107.9(2) . . ?
B12" B9" B8" 60.10(18) . . ?
B10" B9" B8" 108.3(2) . . ?
B4" B9" B8" 59.77(18) . . ?
B12" B9" B5" 107.8(2) . . ?
B10" B9" B5" 59.96(19) . . ?
B4" B9" B5" 59.90(19) . . ?
B8" B9" B5" 107.8(2) . . ?
B12" B9" H9" 123.9(15) . . ?
B10" B9" H9" 122.2(14) . . ?
B4" B9" H9" 120.3(14) . . ?
B8" B9" H9" 122.3(15) . . ?
B5" B9" H9" 120.2(15) . . ?
B6" B10" B11" 60.00(19) . . ?
B6" B10" B12" 108.2(2) . . ?
B11" B10" B12" 60.03(19) . . ?
B6" B10" B9" 108.2(2) . . ?
B11" B10" B9" 107.7(2) . . ?
B12" B10" B9" 59.67(18) . . ?
B6" B10" B5" 59.74(19) . . ?
B11" B10" B5" 107.3(2) . . ?
B12" B10" B5" 107.6(2) . . ?
B9" B10" B5" 60.2(2) . . ?
B6" B10" H10" 119.4(16) . . ?
B11" B10" H10" 120.9(15) . . ?
B12" B10" H10" 123.3(16) . . ?
B9" B10" H10" 123.7(15) . . ?
B5" B10" H10" 121.8(15) . . ?
C2" B11" B6" 59.63(17) . . ?
C2" B11" B10" 105.0(2) . . ?
B6" B11" B10" 59.96(19) . . ?
C2" B11" B12" 104.1(2) . . ?
B6" B11" B12" 108.4(2) . . ?
B10" B11" B12" 60.32(18) . . ?
C2" B11" B7" 58.35(17) . . ?
B6" B11" B7" 109.0(2) . . ?
B10" B11" B7" 108.6(2) . . ?
B12" B11" B7" 59.93(18) . . ?
C2" B11" H11" 117.7(16) . . ?
B6" B11" H11" 119.3(16) . . ?
B10" B11" H11" 128.5(15) . . ?
B12" B11" H11" 127.5(17) . . ?
B7" B11" H11" 117.6(16) . . ?
B9" B12" B7" 108.3(2) . . ?
B9" B12" B11" 107.8(2) . . ?
B7" B12" B11" 60.08(18) . . ?
B9" B12" B10" 60.27(19) . . ?
B7" B12" B10" 108.2(2) . . ?
B11" B12" B10" 59.65(19) . . ?
B9" B12" B8" 60.30(18) . . ?
B7" B12" B8" 60.15(17) . . ?
B11" B12" B8" 108.1(2) . . ?
B10" B12" B8" 108.6(2) . . ?
B9" B12" H12" 123.0(14) . . ?
B7" B12" H12" 119.1(14) . . ?
B11" B12" H12" 122.0(14) . . ?
B10" B12" H12" 124.0(14) . . ?
B8" B12" H12" 119.8(14) . . ?
C4" C3" C8" 119.0(2) . . ?
C4" C3" N2" 115.4(2) . . ?
C8" C3" N2" 125.6(2) . . ?
C5" C4" C3" 121.5(2) . . ?
C5" C4" H4"A 119.2 . . ?
C3" C4" H4"A 119.2 . . ?
C4" C5" C6" 120.0(2) . . ?
C4" C5" H5"A 120.0 . . ?
C6" C5" H5"A 120.0 . . ?
N3" C6" C5" 121.1(2) . . ?
N3" C6" C7" 121.3(2) . . ?
C5" C6" C7" 117.5(2) . . ?
C8" C7" C6" 121.5(2) . . ?
C8" C7" H7"A 119.2 . . ?
C6" C7" H7"A 119.2 . . ?
C7" C8" C3" 120.4(2) . . ?
C7" C8" H8"A 119.8 . . ?
C3" C8" H8"A 119.8 . . ?
N3" C9" H9"A 109.5 . . ?
N3" C9" H9"B 109.5 . . ?
H9"A C9" H9"B 109.5 . . ?
N3" C9" H9"C 109.5 . . ?
H9"A C9" H9"C 109.5 . . ?
H9"B C9" H9"C 109.5 . . ?
N3" C10" H10G 109.5 . . ?
N3" C10" H10H 109.5 . . ?
H10G C10" H10H 109.5 . . ?
N3" C10" H10I 109.5 . . ?
H10G C10" H10I 109.5 . . ?
H10H C10" H10I 109.5 . . ?
N2D N1D B3D 112.1(2) . . ?
N1D N2D C3D 115.9(2) . . ?
C6D N3D C9D 121.9(2) . . ?
C6D N3D C10D 120.7(2) . . ?
C9D N3D C10D 117.4(2) . . ?
C2D C1D B4D 111.3(2) . . ?
C2D C1D B5D 111.4(2) . . ?
B4D C1D B5D 64.01(18) . . ?
C2D C1D B6D 62.06(16) . . ?
B4D C1D B6D 115.9(2) . . ?
B5D C1D B6D 62.41(17) . . ?
C2D C1D B3D 61.55(15) . . ?
B4D C1D B3D 62.36(17) . . ?
B5D C1D B3D 115.6(2) . . ?
B6D C1D B3D 115.8(2) . . ?
C2D C1D H1D 117.5(17) . . ?
B4D C1D H1D 120.0(18) . . ?
B5D C1D H1D 121.5(16) . . ?
B6D C1D H1D 116.7(17) . . ?
B3D C1D H1D 114.8(16) . . ?
C1D C2D B7D 111.9(2) . . ?
C1D C2D B11D 111.46(19) . . ?
B7D C2D B11D 63.59(18) . . ?
C1D C2D B3D 62.31(16) . . ?
B7D C2D B3D 62.65(17) . . ?
B11D C2D B3D 115.8(2) . . ?
C1D C2D B6D 61.53(16) . . ?
B7D C2D B6D 115.6(2) . . ?
B11D C2D B6D 62.61(17) . . ?
B3D C2D B6D 115.9(2) . . ?
C1D C2D H2D 113.7(13) . . ?
B7D C2D H2D 123.2(13) . . ?
B11D C2D H2D 123.9(13) . . ?
B3D C2D H2D 113.8(13) . . ?
B6D C2D H2D 114.9(13) . . ?
N1D B3D C2D 120.3(2) . . ?
N1D B3D C1D 120.8(2) . . ?
C2D B3D C1D 56.14(15) . . ?
N1D B3D B8D 129.4(2) . . ?
C2D B3D B8D 103.69(19) . . ?
C1D B3D B8D 103.46(19) . . ?
N1D B3D B4D 124.4(2) . . ?
C2D B3D B4D 103.0(2) . . ?
C1D B3D B4D 57.39(16) . . ?
B8D B3D B4D 60.44(17) . . ?
N1D B3D B7D 123.6(2) . . ?
C2D B3D B7D 57.76(16) . . ?
C1D B3D B7D 103.1(2) . . ?
B8D B3D B7D 60.41(17) . . ?
B4D B3D B7D 108.0(2) . . ?
C1D B4D B3D 60.24(16) . . ?
C1D B4D B8D 104.8(2) . . ?
B3D B4D B8D 59.33(16) . . ?
C1D B4D B9D 103.8(2) . . ?
B3D B4D B9D 107.7(2) . . ?
B8D B4D B9D 59.96(17) . . ?
C1D B4D B5D 58.18(16) . . ?
B3D B4D B5D 109.1(2) . . ?
B8D B4D B5D 108.0(2) . . ?
B9D B4D B5D 59.66(17) . . ?
C1D B4D H4D 117.1(14) . . ?
B3D B4D H4D 115.7(13) . . ?
B8D B4D H4D 126.9(14) . . ?
B9D B4D H4D 130.7(14) . . ?
B5D B4D H4D 121.1(13) . . ?
C1D B5D B6D 59.54(16) . . ?
C1D B5D B10D 104.5(2) . . ?
B6D B5D B10D 59.81(17) . . ?
C1D B5D B9D 103.7(2) . . ?
B6D B5D B9D 108.0(2) . . ?
B10D B5D B9D 60.03(17) . . ?
C1D B5D B4D 57.82(16) . . ?
B6D B5D B4D 108.4(2) . . ?
B10D B5D B4D 108.0(2) . . ?
B9D B5D B4D 59.97(17) . . ?
C1D B5D H5D 117.5(13) . . ?
B6D B5D H5D 116.2(14) . . ?
B10D B5D H5D 127.0(13) . . ?
B9D B5D H5D 130.2(14) . . ?
B4D B5D H5D 120.9(14) . . ?
C1D B6D C2D 56.41(14) . . ?
C1D B6D B10D 103.7(2) . . ?
C2D B6D B10D 103.4(2) . . ?
C1D B6D B5D 58.06(17) . . ?
C2D B6D B5D 103.5(2) . . ?
B10D B6D B5D 60.20(17) . . ?
C1D B6D B11D 103.5(2) . . ?
C2D B6D B11D 57.83(16) . . ?
B10D B6D B11D 60.00(17) . . ?
B5D B6D B11D 108.0(2) . . ?
C1D B6D H6D 121.2(12) . . ?
C2D B6D H6D 120.6(12) . . ?
B10D B6D H6D 129.0(12) . . ?
B5D B6D H6D 124.4(13) . . ?
B11D B6D H6D 123.1(13) . . ?
C2D B7D B12D 104.1(2) . . ?
C2D B7D B3D 59.59(16) . . ?
B12D B7D B3D 108.3(2) . . ?
C2D B7D B8D 104.2(2) . . ?
B12D B7D B8D 60.55(17) . . ?
B3D B7D B8D 59.24(17) . . ?
C2D B7D B11D 58.33(16) . . ?
B12D B7D B11D 59.85(17) . . ?
B3D B7D B11D 108.9(2) . . ?
B8D B7D B11D 108.2(2) . . ?
C2D B7D H7D 117.2(13) . . ?
B12D B7D H7D 130.1(12) . . ?
B3D B7D H7D 116.0(12) . . ?
B8D B7D H7D 127.3(13) . . ?
B11D B7D H7D 120.6(13) . . ?
B3D B8D B4D 60.23(16) . . ?
B3D B8D B7D 60.35(17) . . ?
B4D B8D B7D 107.8(2) . . ?
B3D B8D B9D 108.6(2) . . ?
B4D B8D B9D 60.21(17) . . ?
B7D B8D B9D 107.4(2) . . ?
B3D B8D B12D 108.3(2) . . ?
B4D B8D B12D 107.8(2) . . ?
B7D B8D B12D 59.43(18) . . ?
B9D B8D B12D 59.77(17) . . ?
B3D B8D H8D 120.5(13) . . ?
B4D B8D H8D 124.0(14) . . ?
B7D B8D H8D 119.5(14) . . ?
B9D B8D H8D 123.7(13) . . ?
B12D B8D H8D 120.8(13) . . ?
B10D B9D B12D 60.20(18) . . ?
B10D B9D B5D 59.81(17) . . ?
B12D B9D B5D 108.1(2) . . ?
B10D B9D B8D 108.6(2) . . ?
B12D B9D B8D 60.34(17) . . ?
B5D B9D B8D 108.4(2) . . ?
B10D B9D B4D 108.2(2) . . ?
B12D B9D B4D 108.0(2) . . ?
B5D B9D B4D 60.36(17) . . ?
B8D B9D B4D 59.83(17) . . ?
B10D B9D H9D 123.9(16) . . ?
B12D B9D H9D 123.7(15) . . ?
B5D B9D H9D 120.9(15) . . ?
B8D B9D H9D 120.2(15) . . ?
B4D B9D H9D 118.9(16) . . ?
B6D B10D B5D 59.99(17) . . ?
B6D B10D B11D 60.41(17) . . ?
B5D B10D B11D 108.1(2) . . ?
B6D B10D B9D 108.3(2) . . ?
B5D B10D B9D 60.17(18) . . ?
B11D B10D B9D 107.8(2) . . ?
B6D B10D B12D 108.4(2) . . ?
B5D B10D B12D 108.1(2) . . ?
B11D B10D B12D 59.83(18) . . ?
B9D B10D B12D 59.94(17) . . ?
B6D B10D H10M 117.6(14) . . ?
B5D B10D H10M 122.1(13) . . ?
B11D B10D H10M 118.8(13) . . ?
B9D B10D H10M 125.9(14) . . ?
B12D B10D H10M 123.6(13) . . ?
C2D B11D B10D 104.4(2) . . ?
C2D B11D B12D 103.7(2) . . ?
B10D B11D B12D 60.36(17) . . ?
C2D B11D B6D 59.56(16) . . ?
B10D B11D B6D 59.59(17) . . ?
B12D B11D B6D 108.2(2) . . ?
C2D B11D B7D 58.08(16) . . ?
B10D B11D B7D 107.9(2) . . ?
B12D B11D B7D 59.57(18) . . ?
B6D B11D B7D 108.6(2) . . ?
C2D B11D H11D 119.3(13) . . ?
B10D B11D H11D 127.4(13) . . ?
B12D B11D H11D 127.0(14) . . ?
B6D B11D H11D 119.4(14) . . ?
B7D B11D H11D 119.1(13) . . ?
B7D B12D B11D 60.58(18) . . ?
B7D B12D B9D 107.9(2) . . ?
B11D B12D B9D 107.8(2) . . ?
B7D B12D B10D 108.3(2) . . ?
B11D B12D B10D 59.82(18) . . ?
B9D B12D B10D 59.86(18) . . ?
B7D B12D B8D 60.02(17) . . ?
B11D B12D B8D 108.4(2) . . ?
B9D B12D B8D 59.89(17) . . ?
B10D B12D B8D 108.0(2) . . ?
B7D B12D H12D 120.7(13) . . ?
B11D B12D H12D 120.4(14) . . ?
B9D B12D H12D 123.2(14) . . ?
B10D B12D H12D 121.8(13) . . ?
B8D B12D H12D 122.3(14) . . ?
C8D C3D C4D 118.7(2) . . ?
C8D C3D N2D 115.4(2) . . ?
C4D C3D N2D 125.9(2) . . ?
C5D C4D C3D 120.8(2) . . ?
C5D C4D H4DA 119.6 . . ?
C3D C4D H4DA 119.6 . . ?
C4D C5D C6D 121.0(2) . . ?
C4D C5D H5DA 119.5 . . ?
C6D C5D H5DA 119.5 . . ?
N3D C6D C7D 121.6(2) . . ?
N3D C6D C5D 120.9(2) . . ?
C7D C6D C5D 117.6(2) . . ?
C8D C7D C6D 120.4(2) . . ?
C8D C7D H7DA 119.8 . . ?
C6D C7D H7DA 119.8 . . ?
C7D C8D C3D 121.5(2) . . ?
C7D C8D H8DA 119.3 . . ?
C3D C8D H8DA 119.3 . . ?
N3D C9D H9DA 109.5 . . ?
N3D C9D H9DB 109.5 . . ?
H9DA C9D H9DB 109.5 . . ?
N3D C9D H9DC 109.5 . . ?
H9DA C9D H9DC 109.5 . . ?
H9DB C9D H9DC 109.5 . . ?
N3D C10D H10J 109.5 . . ?
N3D C10D H10K 109.5 . . ?
H10J C10D H10K 109.5 . . ?
N3D C10D H10L 109.5 . . ?
H10J C10D H10L 109.5 . . ?
H10K C10D H10L 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
B3 N1 N2 C3 179.1(2) . . . . ?
B5 C1 C2 B11 0.1(3) . . . . ?
B4 C1 C2 B11 68.9(3) . . . . ?
B6 C1 C2 B11 -39.5(2) . . . . ?
B3 C1 C2 B11 108.4(2) . . . . ?
B5 C1 C2 B7 -69.0(3) . . . . ?
B4 C1 C2 B7 -0.3(3) . . . . ?
B6 C1 C2 B7 -108.7(2) . . . . ?
B3 C1 C2 B7 39.27(19) . . . . ?
B5 C1 C2 B6 39.7(2) . . . . ?
B4 C1 C2 B6 108.4(2) . . . . ?
B3 C1 C2 B6 147.9(2) . . . . ?
B5 C1 C2 B3 -108.3(2) . . . . ?
B4 C1 C2 B3 -39.55(19) . . . . ?
B6 C1 C2 B3 -147.9(2) . . . . ?
N2 N1 B3 C1 -30.7(3) . . . . ?
N2 N1 B3 C2 34.9(3) . . . . ?
N2 N1 B3 B8 -177.5(2) . . . . ?
N2 N1 B3 B7 104.8(3) . . . . ?
N2 N1 B3 B4 -100.1(3) . . . . ?
C2 C1 B3 N1 108.9(2) . . . . ?
B5 C1 B3 N1 -148.9(2) . . . . ?
B4 C1 B3 N1 -113.0(3) . . . . ?
B6 C1 B3 N1 140.3(2) . . . . ?
B5 C1 B3 C2 102.3(2) . . . . ?
B4 C1 B3 C2 138.2(2) . . . . ?
B6 C1 B3 C2 31.4(2) . . . . ?
C2 C1 B3 B8 -97.0(2) . . . . ?
B5 C1 B3 B8 5.3(3) . . . . ?
B4 C1 B3 B8 41.17(18) . . . . ?
B6 C1 B3 B8 -65.6(2) . . . . ?
C2 C1 B3 B7 -35.07(17) . . . . ?
B5 C1 B3 B7 67.2(2) . . . . ?
B4 C1 B3 B7 103.1(2) . . . . ?
B6 C1 B3 B7 -3.7(3) . . . . ?
C2 C1 B3 B4 -138.2(2) . . . . ?
B5 C1 B3 B4 -35.9(2) . . . . ?
B6 C1 B3 B4 -106.8(2) . . . . ?
C1 C2 B3 N1 -107.7(3) . . . . ?
B11 C2 B3 N1 150.2(2) . . . . ?
B7 C2 B3 N1 114.0(3) . . . . ?
B6 C2 B3 N1 -139.2(2) . . . . ?
B11 C2 B3 C1 -102.1(2) . . . . ?
B7 C2 B3 C1 -138.4(2) . . . . ?
B6 C2 B3 C1 -31.5(2) . . . . ?
C1 C2 B3 B8 97.6(2) . . . . ?
B11 C2 B3 B8 -4.5(3) . . . . ?
B7 C2 B3 B8 -40.81(18) . . . . ?
B6 C2 B3 B8 66.1(3) . . . . ?
C1 C2 B3 B7 138.4(2) . . . . ?
B11 C2 B3 B7 36.3(2) . . . . ?
B6 C2 B3 B7 106.9(2) . . . . ?
C1 C2 B3 B4 35.28(18) . . . . ?
B11 C2 B3 B4 -66.8(3) . . . . ?
B7 C2 B3 B4 -103.1(2) . . . . ?
B6 C2 B3 B4 3.8(3) . . . . ?
C2 C1 B4 B9 -63.6(2) . . . . ?
B5 C1 B4 B9 40.55(19) . . . . ?
B6 C1 B4 B9 4.5(3) . . . . ?
B3 C1 B4 B9 -103.1(2) . . . . ?
C2 C1 B4 B5 -104.1(2) . . . . ?
B6 C1 B4 B5 -36.1(2) . . . . ?
B3 C1 B4 B5 -143.6(2) . . . . ?
C2 C1 B4 B3 39.51(19) . . . . ?
B5 C1 B4 B3 143.6(2) . . . . ?
B6 C1 B4 B3 107.6(2) . . . . ?
C2 C1 B4 B8 -1.1(3) . . . . ?
B5 C1 B4 B8 103.0(2) . . . . ?
B6 C1 B4 B8 67.0(3) . . . . ?
B3 C1 B4 B8 -40.61(18) . . . . ?
N1 B3 B4 C1 107.4(3) . . . . ?
C2 B3 B4 C1 -34.27(17) . . . . ?
B8 B3 B4 C1 -132.7(2) . . . . ?
B7 B3 B4 C1 -93.9(2) . . . . ?
N1 B3 B4 B9 -156.5(2) . . . . ?
C1 B3 B4 B9 96.1(2) . . . . ?
C2 B3 B4 B9 61.8(2) . . . . ?
B8 B3 B4 B9 -36.6(2) . . . . ?
B7 B3 B4 B9 2.2(3) . . . . ?
N1 B3 B4 B5 139.7(2) . . . . ?
C1 B3 B4 B5 32.27(19) . . . . ?
C2 B3 B4 B5 -2.0(3) . . . . ?
B8 B3 B4 B5 -100.4(2) . . . . ?
B7 B3 B4 B5 -61.6(3) . . . . ?
N1 B3 B4 B8 -119.9(3) . . . . ?
C1 B3 B4 B8 132.7(2) . . . . ?
C2 B3 B4 B8 98.4(2) . . . . ?
B7 B3 B4 B8 38.80(19) . . . . ?
C2 C1 B5 B10 1.4(3) . . . . ?
B4 C1 B5 B10 -102.8(2) . . . . ?
B6 C1 B5 B10 40.61(19) . . . . ?
B3 C1 B5 B10 -67.2(3) . . . . ?
C2 C1 B5 B4 104.3(2) . . . . ?
B6 C1 B5 B4 143.4(2) . . . . ?
B3 C1 B5 B4 35.6(2) . . . . ?
C2 C1 B5 B9 63.8(2) . . . . ?
B4 C1 B5 B9 -40.44(19) . . . . ?
B6 C1 B5 B9 103.0(2) . . . . ?
B3 C1 B5 B9 -4.8(3) . . . . ?
C2 C1 B5 B6 -39.2(2) . . . . ?
B4 C1 B5 B6 -143.4(2) . . . . ?
B3 C1 B5 B6 -107.8(2) . . . . ?
B9 B4 B5 C1 -133.4(2) . . . . ?
B3 B4 B5 C1 -32.85(19) . . . . ?
B8 B4 B5 C1 -95.7(2) . . . . ?
C1 B4 B5 B10 96.0(2) . . . . ?
B9 B4 B5 B10 -37.35(19) . . . . ?
B3 B4 B5 B10 63.2(3) . . . . ?
B8 B4 B5 B10 0.3(3) . . . . ?
C1 B4 B5 B9 133.3(2) . . . . ?
B3 B4 B5 B9 100.5(2) . . . . ?
B8 B4 B5 B9 37.65(19) . . . . ?
C1 B4 B5 B6 32.7(2) . . . . ?
B9 B4 B5 B6 -100.7(2) . . . . ?
B3 B4 B5 B6 -0.2(3) . . . . ?
B8 B4 B5 B6 -63.0(3) . . . . ?
B11 C2 B6 C1 138.2(2) . . . . ?
B7 C2 B6 C1 101.9(2) . . . . ?
B3 C2 B6 C1 31.5(2) . . . . ?
C1 C2 B6 B10 -97.2(2) . . . . ?
B11 C2 B6 B10 41.01(19) . . . . ?
B7 C2 B6 B10 4.7(3) . . . . ?
B3 C2 B6 B10 -65.7(3) . . . . ?
C1 C2 B6 B11 -138.2(2) . . . . ?
B7 C2 B6 B11 -36.4(2) . . . . ?
B3 C2 B6 B11 -106.7(2) . . . . ?
C1 C2 B6 B5 -35.42(19) . . . . ?
B11 C2 B6 B5 102.8(2) . . . . ?
B7 C2 B6 B5 66.5(3) . . . . ?
B3 C2 B6 B5 -3.9(3) . . . . ?
B5 C1 B6 C2 -138.2(2) . . . . ?
B4 C1 B6 C2 -102.0(2) . . . . ?
B3 C1 B6 C2 -31.6(2) . . . . ?
C2 C1 B6 B10 97.7(2) . . . . ?
B5 C1 B6 B10 -40.5(2) . . . . ?
B4 C1 B6 B10 -4.3(3) . . . . ?
B3 C1 B6 B10 66.1(3) . . . . ?
C2 C1 B6 B11 35.51(18) . . . . ?
B5 C1 B6 B11 -102.7(2) . . . . ?
B4 C1 B6 B11 -66.5(3) . . . . ?
B3 C1 B6 B11 3.9(3) . . . . ?
C2 C1 B6 B5 138.2(2) . . . . ?
B4 C1 B6 B5 36.2(2) . . . . ?
B3 C1 B6 B5 106.6(2) . . . . ?
C1 B5 B6 C2 34.68(18) . . . . ?
B10 B5 B6 C2 -98.4(2) . . . . ?
B4 B5 B6 C2 2.3(3) . . . . ?
B9 B5 B6 C2 -61.2(2) . . . . ?
B10 B5 B6 C1 -133.1(2) . . . . ?
B4 B5 B6 C1 -32.40(19) . . . . ?
B9 B5 B6 C1 -95.9(2) . . . . ?
C1 B5 B6 B10 133.1(2) . . . . ?
B4 B5 B6 B10 100.7(2) . . . . ?
B9 B5 B6 B10 37.21(19) . . . . ?
C1 B5 B6 B11 95.0(2) . . . . ?
B10 B5 B6 B11 -38.15(19) . . . . ?
B4 B5 B6 B11 62.6(3) . . . . ?
B9 B5 B6 B11 -0.9(3) . . . . ?
C1 C2 B7 B8 1.5(3) . . . . ?
B11 C2 B7 B8 -102.8(2) . . . . ?
B6 C2 B7 B8 -66.8(3) . . . . ?
B3 C2 B7 B8 40.71(18) . . . . ?
C1 C2 B7 B3 -39.17(18) . . . . ?
B11 C2 B7 B3 -143.5(2) . . . . ?
B6 C2 B7 B3 -107.5(2) . . . . ?
C1 C2 B7 B12 64.0(2) . . . . ?
B11 C2 B7 B12 -40.34(19) . . . . ?
B6 C2 B7 B12 -4.4(3) . . . . ?
B3 C2 B7 B12 103.1(2) . . . . ?
C1 C2 B7 B11 104.3(2) . . . . ?
B6 C2 B7 B11 36.0(2) . . . . ?
B3 C2 B7 B11 143.5(2) . . . . ?
N1 B3 B7 C2 -107.7(3) . . . . ?
C1 B3 B7 C2 34.13(17) . . . . ?
B8 B3 B7 C2 132.9(2) . . . . ?
B4 B3 B7 C2 93.9(2) . . . . ?
N1 B3 B7 B8 119.4(3) . . . . ?
C1 B3 B7 B8 -98.7(2) . . . . ?
C2 B3 B7 B8 -132.9(2) . . . . ?
B4 B3 B7 B8 -38.96(19) . . . . ?
N1 B3 B7 B12 156.3(2) . . . . ?
C1 B3 B7 B12 -61.9(2) . . . . ?
C2 B3 B7 B12 -96.0(2) . . . . ?
B8 B3 B7 B12 36.88(19) . . . . ?
B4 B3 B7 B12 -2.1(3) . . . . ?
N1 B3 B7 B11 -140.0(2) . . . . ?
C1 B3 B7 B11 1.8(2) . . . . ?
C2 B3 B7 B11 -32.32(18) . . . . ?
B8 B3 B7 B11 100.5(2) . . . . ?
B4 B3 B7 B11 61.6(2) . . . . ?
N1 B3 B8 B7 -112.4(3) . . . . ?
C1 B3 B8 B7 96.7(2) . . . . ?
C2 B3 B8 B7 39.49(18) . . . . ?
B4 B3 B8 B7 136.5(2) . . . . ?
N1 B3 B8 B4 111.2(3) . . . . ?
C1 B3 B8 B4 -39.75(18) . . . . ?
C2 B3 B8 B4 -97.0(2) . . . . ?
B7 B3 B8 B4 -136.5(2) . . . . ?
N1 B3 B8 B12 -149.3(3) . . . . ?
C1 B3 B8 B12 59.8(2) . . . . ?
C2 B3 B8 B12 2.5(3) . . . . ?
B7 B3 B8 B12 -36.9(2) . . . . ?
B4 B3 B8 B12 99.5(2) . . . . ?
N1 B3 B8 B9 147.5(3) . . . . ?
C1 B3 B8 B9 -3.4(3) . . . . ?
C2 B3 B8 B9 -60.6(2) . . . . ?
B7 B3 B8 B9 -100.1(2) . . . . ?
B4 B3 B8 B9 36.38(19) . . . . ?
C2 B7 B8 B3 -41.05(18) . . . . ?
B12 B7 B8 B3 -139.0(2) . . . . ?
B11 B7 B8 B3 -101.8(2) . . . . ?
C2 B7 B8 B4 -2.2(3) . . . . ?
B3 B7 B8 B4 38.88(19) . . . . ?
B12 B7 B8 B4 -100.1(2) . . . . ?
B11 B7 B8 B4 -62.9(2) . . . . ?
C2 B7 B8 B12 97.9(2) . . . . ?
B3 B7 B8 B12 139.0(2) . . . . ?
B11 B7 B8 B12 37.19(19) . . . . ?
C2 B7 B8 B9 60.7(2) . . . . ?
B3 B7 B8 B9 101.8(2) . . . . ?
B12 B7 B8 B9 -37.2(2) . . . . ?
B11 B7 B8 B9 0.0(3) . . . . ?
C1 B4 B8 B3 40.94(18) . . . . ?
B9 B4 B8 B3 139.3(2) . . . . ?
B5 B4 B8 B3 101.8(2) . . . . ?
C1 B4 B8 B7 2.0(3) . . . . ?
B9 B4 B8 B7 100.4(2) . . . . ?
B5 B4 B8 B7 62.9(2) . . . . ?
B3 B4 B8 B7 -38.94(19) . . . . ?
C1 B4 B8 B12 -61.3(2) . . . . ?
B9 B4 B8 B12 37.12(19) . . . . ?
B5 B4 B8 B12 -0.4(3) . . . . ?
B3 B4 B8 B12 -102.2(2) . . . . ?
C1 B4 B8 B9 -98.4(2) . . . . ?
B5 B4 B8 B9 -37.54(19) . . . . ?
B3 B4 B8 B9 -139.3(2) . . . . ?
C1 B4 B9 B12 61.0(2) . . . . ?
B5 B4 B9 B12 100.6(2) . . . . ?
B3 B4 B9 B12 -1.5(3) . . . . ?
B8 B4 B9 B12 -37.56(19) . . . . ?
C1 B4 B9 B5 -39.65(18) . . . . ?
B3 B4 B9 B5 -102.1(2) . . . . ?
B8 B4 B9 B5 -138.2(2) . . . . ?
C1 B4 B9 B10 -2.7(3) . . . . ?
B5 B4 B9 B10 37.0(2) . . . . ?
B3 B4 B9 B10 -65.1(3) . . . . ?
B8 B4 B9 B10 -101.2(2) . . . . ?
C1 B4 B9 B8 98.5(2) . . . . ?
B5 B4 B9 B8 138.2(2) . . . . ?
B3 B4 B9 B8 36.09(19) . . . . ?
C1 B5 B9 B12 -61.2(2) . . . . ?
B10 B5 B9 B12 37.57(19) . . . . ?
B4 B5 B9 B12 -100.9(2) . . . . ?
B6 B5 B9 B12 0.6(3) . . . . ?
C1 B5 B9 B4 39.71(18) . . . . ?
B10 B5 B9 B4 138.4(2) . . . . ?
B6 B5 B9 B4 101.5(2) . . . . ?
C1 B5 B9 B10 -98.7(2) . . . . ?
B4 B5 B9 B10 -138.4(2) . . . . ?
B6 B5 B9 B10 -36.96(19) . . . . ?
C1 B5 B9 B8 2.3(3) . . . . ?
B10 B5 B9 B8 101.0(2) . . . . ?
B4 B5 B9 B8 -37.40(19) . . . . ?
B6 B5 B9 B8 64.1(2) . . . . ?
B3 B8 B9 B12 101.3(2) . . . . ?
B7 B8 B9 B12 37.43(19) . . . . ?
B4 B8 B9 B12 138.0(2) . . . . ?
B3 B8 B9 B4 -36.67(19) . . . . ?
B7 B8 B9 B4 -100.6(2) . . . . ?
B12 B8 B9 B4 -138.0(2) . . . . ?
B3 B8 B9 B5 0.7(3) . . . . ?
B7 B8 B9 B5 -63.2(3) . . . . ?
B4 B8 B9 B5 37.40(19) . . . . ?
B12 B8 B9 B5 -100.6(2) . . . . ?
B3 B8 B9 B10 63.8(3) . . . . ?
B7 B8 B9 B10 -0.1(3) . . . . ?
B4 B8 B9 B10 100.5(2) . . . . ?
B12 B8 B9 B10 -37.5(2) . . . . ?
C2 B6 B10 B5 97.5(2) . . . . ?
C1 B6 B10 B5 39.49(18) . . . . ?
B11 B6 B10 B5 137.4(2) . . . . ?
C2 B6 B10 B11 -39.85(18) . . . . ?
C1 B6 B10 B11 -97.9(2) . . . . ?
B5 B6 B10 B11 -137.4(2) . . . . ?
C2 B6 B10 B9 60.3(3) . . . . ?
C1 B6 B10 B9 2.3(3) . . . . ?
B11 B6 B10 B9 100.1(2) . . . . ?
B5 B6 B10 B9 -37.2(2) . . . . ?
C2 B6 B10 B12 -2.9(3) . . . . ?
C1 B6 B10 B12 -60.9(2) . . . . ?
B11 B6 B10 B12 37.0(2) . . . . ?
B5 B6 B10 B12 -100.4(2) . . . . ?
C1 B5 B10 B6 -40.36(19) . . . . ?
B4 B5 B10 B6 -101.4(2) . . . . ?
B9 B5 B10 B6 -138.6(2) . . . . ?
C1 B5 B10 B11 -2.4(3) . . . . ?
B4 B5 B10 B11 -63.4(3) . . . . ?
B9 B5 B10 B11 -100.6(2) . . . . ?
B6 B5 B10 B11 37.96(19) . . . . ?
C1 B5 B10 B9 98.2(2) . . . . ?
B4 B5 B10 B9 37.18(19) . . . . ?
B6 B5 B10 B9 138.6(2) . . . . ?
C1 B5 B10 B12 61.0(2) . . . . ?
B4 B5 B10 B12 -0.1(3) . . . . ?
B9 B5 B10 B12 -37.25(19) . . . . ?
B6 B5 B10 B12 101.3(2) . . . . ?
B12 B9 B10 B6 -100.7(2) . . . . ?
B4 B9 B10 B6 0.2(3) . . . . ?
B5 B9 B10 B6 37.4(2) . . . . ?
B8 B9 B10 B6 -63.2(3) . . . . ?
B12 B9 B10 B5 -138.0(2) . . . . ?
B4 B9 B10 B5 -37.12(19) . . . . ?
B8 B9 B10 B5 -100.6(2) . . . . ?
B12 B9 B10 B11 -37.33(19) . . . . ?
B4 B9 B10 B11 63.6(3) . . . . ?
B5 B9 B10 B11 100.7(2) . . . . ?
B8 B9 B10 B11 0.1(3) . . . . ?
B4 B9 B10 B12 100.9(2) . . . . ?
B5 B9 B10 B12 138.0(2) . . . . ?
B8 B9 B10 B12 37.4(2) . . . . ?
C1 C2 B11 B6 39.3(2) . . . . ?
B7 C2 B11 B6 143.5(2) . . . . ?
B3 C2 B11 B6 107.7(2) . . . . ?
C1 C2 B11 B10 -1.7(3) . . . . ?
B7 C2 B11 B10 102.5(2) . . . . ?
B6 C2 B11 B10 -40.92(19) . . . . ?
B3 C2 B11 B10 66.8(3) . . . . ?
C1 C2 B11 B12 -63.9(2) . . . . ?
B7 C2 B11 B12 40.27(19) . . . . ?
B6 C2 B11 B12 -103.2(2) . . . . ?
B3 C2 B11 B12 4.5(3) . . . . ?
C1 C2 B11 B7 -104.2(2) . . . . ?
B6 C2 B11 B7 -143.5(2) . . . . ?
B3 C2 B11 B7 -35.8(2) . . . . ?
C1 B6 B11 C2 -34.70(17) . . . . ?
B10 B6 B11 C2 -132.8(2) . . . . ?
B5 B6 B11 C2 -94.8(2) . . . . ?
C2 B6 B11 B10 132.8(2) . . . . ?
C1 B6 B11 B10 98.1(2) . . . . ?
B5 B6 B11 B10 37.97(19) . . . . ?
C2 B6 B11 B12 95.7(2) . . . . ?
C1 B6 B11 B12 61.0(2) . . . . ?
B10 B6 B11 B12 -37.06(19) . . . . ?
B5 B6 B11 B12 0.9(3) . . . . ?
C2 B6 B11 B7 32.29(18) . . . . ?
C1 B6 B11 B7 -2.4(3) . . . . ?
B10 B6 B11 B7 -100.5(2) . . . . ?
B5 B6 B11 B7 -62.5(2) . . . . ?
B6 B10 B11 C2 40.68(19) . . . . ?
B5 B10 B11 C2 2.5(3) . . . . ?
B9 B10 B11 C2 -60.9(2) . . . . ?
B12 B10 B11 C2 -98.0(2) . . . . ?
B5 B10 B11 B6 -38.2(2) . . . . ?
B9 B10 B11 B6 -101.6(2) . . . . ?
B12 B10 B11 B6 -138.7(2) . . . . ?
B6 B10 B11 B12 138.7(2) . . . . ?
B5 B10 B11 B12 100.5(2) . . . . ?
B9 B10 B11 B12 37.12(19) . . . . ?
B6 B10 B11 B7 101.5(2) . . . . ?
B5 B10 B11 B7 63.3(3) . . . . ?
B9 B10 B11 B7 -0.1(3) . . . . ?
B12 B10 B11 B7 -37.23(19) . . . . ?
B8 B7 B11 C2 96.2(2) . . . . ?
B3 B7 B11 C2 33.09(18) . . . . ?
B12 B7 B11 C2 133.5(2) . . . . ?
C2 B7 B11 B6 -32.73(19) . . . . ?
B8 B7 B11 B6 63.5(3) . . . . ?
B3 B7 B11 B6 0.4(3) . . . . ?
B12 B7 B11 B6 100.8(2) . . . . ?
C2 B7 B11 B10 -96.1(2) . . . . ?
B8 B7 B11 B10 0.1(3) . . . . ?
B3 B7 B11 B10 -63.0(2) . . . . ?
B12 B7 B11 B10 37.38(19) . . . . ?
C2 B7 B11 B12 -133.5(2) . . . . ?
B8 B7 B11 B12 -37.3(2) . . . . ?
B3 B7 B11 B12 -100.4(2) . . . . ?
B4 B9 B12 B7 0.2(3) . . . . ?
B5 B9 B12 B7 63.6(2) . . . . ?
B10 B9 B12 B7 100.9(2) . . . . ?
B8 B9 B12 B7 -37.4(2) . . . . ?
B4 B9 B12 B11 -63.4(2) . . . . ?
B5 B9 B12 B11 -0.1(3) . . . . ?
B10 B9 B12 B11 37.27(19) . . . . ?
B8 B9 B12 B11 -101.0(2) . . . . ?
B4 B9 B12 B8 37.52(19) . . . . ?
B5 B9 B12 B8 100.9(2) . . . . ?
B10 B9 B12 B8 138.2(2) . . . . ?
B4 B9 B12 B10 -100.7(2) . . . . ?
B5 B9 B12 B10 -37.32(19) . . . . ?
B8 B9 B12 B10 -138.2(2) . . . . ?
C2 B7 B12 B9 -61.5(2) . . . . ?
B8 B7 B12 B9 37.7(2) . . . . ?
B3 B7 B12 B9 1.2(3) . . . . ?
B11 B7 B12 B9 -100.8(2) . . . . ?
C2 B7 B12 B11 39.37(18) . . . . ?
B8 B7 B12 B11 138.5(2) . . . . ?
B3 B7 B12 B11 102.0(2) . . . . ?
C2 B7 B12 B8 -99.1(2) . . . . ?
B3 B7 B12 B8 -36.50(19) . . . . ?
B11 B7 B12 B8 -138.5(2) . . . . ?
C2 B7 B12 B10 2.2(3) . . . . ?
B8 B7 B12 B10 101.3(2) . . . . ?
B3 B7 B12 B10 64.8(2) . . . . ?
B11 B7 B12 B10 -37.19(19) . . . . ?
C2 B11 B12 B9 61.4(2) . . . . ?
B6 B11 B12 B9 -0.5(3) . . . . ?
B10 B11 B12 B9 -37.45(19) . . . . ?
B7 B11 B12 B9 100.8(2) . . . . ?
C2 B11 B12 B7 -39.47(19) . . . . ?
B6 B11 B12 B7 -101.4(2) . . . . ?
B10 B11 B12 B7 -138.3(2) . . . . ?
C2 B11 B12 B8 -2.5(3) . . . . ?
B6 B11 B12 B8 -64.4(3) . . . . ?
B10 B11 B12 B8 -101.3(2) . . . . ?
B7 B11 B12 B8 36.96(19) . . . . ?
C2 B11 B12 B10 98.8(2) . . . . ?
B6 B11 B12 B10 36.91(19) . . . . ?
B7 B11 B12 B10 138.3(2) . . . . ?
B3 B8 B12 B9 -100.9(2) . . . . ?
B7 B8 B12 B9 -138.0(2) . . . . ?
B4 B8 B12 B9 -37.18(19) . . . . ?
B3 B8 B12 B7 37.1(2) . . . . ?
B4 B8 B12 B7 100.9(2) . . . . ?
B9 B8 B12 B7 138.0(2) . . . . ?
B3 B8 B12 B11 -0.1(3) . . . . ?
B7 B8 B12 B11 -37.2(2) . . . . ?
B4 B8 B12 B11 63.7(2) . . . . ?
B9 B8 B12 B11 100.9(2) . . . . ?
B3 B8 B12 B10 -63.4(3) . . . . ?
B7 B8 B12 B10 -100.5(2) . . . . ?
B4 B8 B12 B10 0.4(3) . . . . ?
B9 B8 B12 B10 37.6(2) . . . . ?
B6 B10 B12 B9 101.3(2) . . . . ?
B5 B10 B12 B9 37.47(19) . . . . ?
B11 B10 B12 B9 138.2(2) . . . . ?
B6 B10 B12 B7 0.5(3) . . . . ?
B5 B10 B12 B7 -63.4(3) . . . . ?
B11 B10 B12 B7 37.37(19) . . . . ?
B9 B10 B12 B7 -100.8(2) . . . . ?
B6 B10 B12 B11 -36.91(19) . . . . ?
B5 B10 B12 B11 -100.7(2) . . . . ?
B9 B10 B12 B11 -138.2(2) . . . . ?
B6 B10 B12 B8 63.6(3) . . . . ?
B5 B10 B12 B8 -0.2(3) . . . . ?
B11 B10 B12 B8 100.5(2) . . . . ?
B9 B10 B12 B8 -37.65(19) . . . . ?
N1 N2 C3 C4 -179.6(2) . . . . ?
N1 N2 C3 C8 -0.9(3) . . . . ?
C8 C3 C4 C5 0.4(4) . . . . ?
N2 C3 C4 C5 179.1(2) . . . . ?
C3 C4 C5 C6 -0.9(4) . . . . ?
C10 N3 C6 C5 4.4(3) . . . . ?
C9 N3 C6 C5 -177.8(2) . . . . ?
C10 N3 C6 C7 -176.2(2) . . . . ?
C9 N3 C6 C7 1.6(3) . . . . ?
C4 C5 C6 N3 -179.9(2) . . . . ?
C4 C5 C6 C7 0.7(3) . . . . ?
N3 C6 C7 C8 -179.4(2) . . . . ?
C5 C6 C7 C8 0.0(3) . . . . ?
C6 C7 C8 C3 -0.5(4) . . . . ?
C4 C3 C8 C7 0.3(4) . . . . ?
N2 C3 C8 C7 -178.3(2) . . . . ?
B3' N1' N2' C3' 179.3(2) . . . . ?
B5' C1' C2' B11' 0.6(3) . . . . ?
B4' C1' C2' B11' 69.4(2) . . . . ?
B6' C1' C2' B11' -39.4(2) . . . . ?
B3' C1' C2' B11' 108.7(2) . . . . ?
B5' C1' C2' B7' -68.7(2) . . . . ?
B4' C1' C2' B7' 0.0(3) . . . . ?
B6' C1' C2' B7' -108.7(2) . . . . ?
B3' C1' C2' B7' 39.34(19) . . . . ?
B5' C1' C2' B6' 40.0(2) . . . . ?
B4' C1' C2' B6' 108.8(2) . . . . ?
B3' C1' C2' B6' 148.1(2) . . . . ?
B5' C1' C2' B3' -108.1(2) . . . . ?
B4' C1' C2' B3' -39.29(19) . . . . ?
B6' C1' C2' B3' -148.1(2) . . . . ?
N2' N1' B3' C2' 32.7(3) . . . . ?
N2' N1' B3' C1' -33.1(3) . . . . ?
N2' N1' B3' B8' -179.7(2) . . . . ?
N2' N1' B3' B4' -102.2(3) . . . . ?
N2' N1' B3' B7' 102.3(3) . . . . ?
C1' C2' B3' N1' -107.6(3) . . . . ?
B11' C2' B3' N1' 150.3(2) . . . . ?
B7' C2' B3' N1' 113.8(3) . . . . ?
B6' C2' B3' N1' -138.9(2) . . . . ?
B11' C2' B3' C1' -102.0(2) . . . . ?
B7' C2' B3' C1' -138.5(2) . . . . ?
B6' C2' B3' C1' -31.2(2) . . . . ?
C1' C2' B3' B8' 97.6(2) . . . . ?
B11' C2' B3' B8' -4.5(3) . . . . ?
B7' C2' B3' B8' -40.94(18) . . . . ?
B6' C2' B3' B8' 66.4(3) . . . . ?
C1' C2' B3' B4' 35.26(18) . . . . ?
B11' C2' B3' B4' -66.8(2) . . . . ?
B7' C2' B3' B4' -103.3(2) . . . . ?
B6' C2' B3' B4' 4.0(3) . . . . ?
C1' C2' B3' B7' 138.5(2) . . . . ?
B11' C2' B3' B7' 36.5(2) . . . . ?
B6' C2' B3' B7' 107.3(2) . . . . ?
C2' C1' B3' N1' 108.8(3) . . . . ?
B5' C1' B3' N1' -149.3(2) . . . . ?
B4' C1' B3' N1' -113.0(3) . . . . ?
B6' C1' B3' N1' 140.0(2) . . . . ?
B5' C1' B3' C2' 102.0(2) . . . . ?
B4' C1' B3' C2' 138.2(2) . . . . ?
B6' C1' B3' C2' 31.3(2) . . . . ?
C2' C1' B3' B8' -97.3(2) . . . . ?
B5' C1' B3' B8' 4.7(3) . . . . ?
B4' C1' B3' B8' 40.92(18) . . . . ?
B6' C1' B3' B8' -66.0(3) . . . . ?
C2' C1' B3' B4' -138.2(2) . . . . ?
B5' C1' B3' B4' -36.2(2) . . . . ?
B6' C1' B3' B4' -106.9(2) . . . . ?
C2' C1' B3' B7' -34.95(18) . . . . ?
B5' C1' B3' B7' 67.0(2) . . . . ?
B4' C1' B3' B7' 103.2(2) . . . . ?
B6' C1' B3' B7' -3.7(3) . . . . ?
C2' C1' B4' B3' 39.21(18) . . . . ?
B5' C1' B4' B3' 143.3(2) . . . . ?
B6' C1' B4' B3' 107.2(2) . . . . ?
C2' C1' B4' B5' -104.1(2) . . . . ?
B6' C1' B4' B5' -36.0(2) . . . . ?
B3' C1' B4' B5' -143.3(2) . . . . ?
C2' C1' B4' B8' -1.4(2) . . . . ?
B5' C1' B4' B8' 102.7(2) . . . . ?
B6' C1' B4' B8' 66.7(2) . . . . ?
B3' C1' B4' B8' -40.58(18) . . . . ?
C2' C1' B4' B9' -63.7(2) . . . . ?
B5' C1' B4' B9' 40.41(19) . . . . ?
B6' C1' B4' B9' 4.4(3) . . . . ?
B3' C1' B4' B9' -102.9(2) . . . . ?
N1' B3' B4' C1' 107.0(3) . . . . ?
C2' B3' B4' C1' -34.45(17) . . . . ?
B8' B3' B4' C1' -133.1(2) . . . . ?
B7' B3' B4' C1' -94.1(2) . . . . ?
N1' B3' B4' B5' 139.5(2) . . . . ?
C2' B3' B4' B5' -2.0(3) . . . . ?
C1' B3' B4' B5' 32.50(19) . . . . ?
B8' B3' B4' B5' -100.5(2) . . . . ?
B7' B3' B4' B5' -61.6(3) . . . . ?
N1' B3' B4' B8' -119.9(3) . . . . ?
C2' B3' B4' B8' 98.6(2) . . . . ?
C1' B3' B4' B8' 133.1(2) . . . . ?
B7' B3' B4' B8' 38.96(19) . . . . ?
N1' B3' B4' B9' -156.8(2) . . . . ?
C2' B3' B4' B9' 61.7(2) . . . . ?
C1' B3' B4' B9' 96.2(2) . . . . ?
B8' B3' B4' B9' -36.85(18) . . . . ?
B7' B3' B4' B9' 2.1(3) . . . . ?
C2' C1' B5' B6' -39.5(2) . . . . ?
B4' C1' B5' B6' -143.5(2) . . . . ?
B3' C1' B5' B6' -107.7(2) . . . . ?
C2' C1' B5' B4' 104.0(2) . . . . ?
B6' C1' B5' B4' 143.5(2) . . . . ?
B3' C1' B5' B4' 35.8(2) . . . . ?
C2' C1' B5' B9' 63.5(2) . . . . ?
B4' C1' B5' B9' -40.49(19) . . . . ?
B6' C1' B5' B9' 103.0(2) . . . . ?
B3' C1' B5' B9' -4.7(3) . . . . ?
C2' C1' B5' B10' 0.9(3) . . . . ?
B4' C1' B5' B10' -103.0(2) . . . . ?
B6' C1' B5' B10' 40.47(19) . . . . ?
B3' C1' B5' B10' -67.2(2) . . . . ?
B3' B4' B5' C1' -33.28(19) . . . . ?
B8' B4' B5' C1' -96.4(2) . . . . ?
B9' B4' B5' C1' -133.5(2) . . . . ?
C1' B4' B5' B6' 32.79(19) . . . . ?
B3' B4' B5' B6' -0.5(3) . . . . ?
B8' B4' B5' B6' -63.6(3) . . . . ?
B9' B4' B5' B6' -100.7(2) . . . . ?
C1' B4' B5' B9' 133.5(2) . . . . ?
B3' B4' B5' B9' 100.2(2) . . . . ?
B8' B4' B5' B9' 37.1(2) . . . . ?
C1' B4' B5' B10' 96.0(2) . . . . ?
B3' B4' B5' B10' 62.7(3) . . . . ?
B8' B4' B5' B10' -0.4(3) . . . . ?
B9' B4' B5' B10' -37.5(2) . . . . ?
B5' C1' B6' C2' -137.8(2) . . . . ?
B4' C1' B6' C2' -101.5(2) . . . . ?
B3' C1' B6' C2' -31.3(2) . . . . ?
C2' C1' B6' B10' 96.9(2) . . . . ?
B5' C1' B6' B10' -40.85(19) . . . . ?
B4' C1' B6' B10' -4.6(3) . . . . ?
B3' C1' B6' B10' 65.6(3) . . . . ?
C2' C1' B6' B5' 137.8(2) . . . . ?
B4' C1' B6' B5' 36.3(2) . . . . ?
B3' C1' B6' B5' 106.4(2) . . . . ?
C2' C1' B6' B11' 35.23(19) . . . . ?
B5' C1' B6' B11' -102.5(2) . . . . ?
B4' C1' B6' B11' -66.3(3) . . . . ?
B3' C1' B6' B11' 3.9(3) . . . . ?
B11' C2' B6' C1' 138.5(2) . . . . ?
B7' C2' B6' C1' 102.0(2) . . . . ?
B3' C2' B6' C1' 31.3(2) . . . . ?
C1' C2' B6' B10' -98.0(2) . . . . ?
B11' C2' B6' B10' 40.52(19) . . . . ?
B7' C2' B6' B10' 4.1(3) . . . . ?
B3' C2' B6' B10' -66.6(3) . . . . ?
C1' C2' B6' B5' -35.66(19) . . . . ?
B11' C2' B6' B5' 102.8(2) . . . . ?
B7' C2' B6' B5' 66.4(3) . . . . ?
B3' C2' B6' B5' -4.3(3) . . . . ?
C1' C2' B6' B11' -138.5(2) . . . . ?
B7' C2' B6' B11' -36.5(2) . . . . ?
B3' C2' B6' B11' -107.2(2) . . . . ?
B4' B5' B6' C1' -32.38(19) . . . . ?
B9' B5' B6' C1' -96.1(2) . . . . ?
B10' B5' B6' C1' -133.2(2) . . . . ?
C1' B5' B6' C2' 35.10(18) . . . . ?
B4' B5' B6' C2' 2.7(3) . . . . ?
B9' B5' B6' C2' -61.0(2) . . . . ?
B10' B5' B6' C2' -98.1(2) . . . . ?
C1' B5' B6' B10' 133.2(2) . . . . ?
B4' B5' B6' B10' 100.8(2) . . . . ?
B9' B5' B6' B10' 37.02(19) . . . . ?
C1' B5' B6' B11' 95.1(2) . . . . ?
B4' B5' B6' B11' 62.7(3) . . . . ?
B9' B5' B6' B11' -1.0(3) . . . . ?
B10' B5' B6' B11' -38.05(19) . . . . ?
C1' C2' B7' B12' 64.0(2) . . . . ?
B11' C2' B7' B12' -40.28(19) . . . . ?
B6' C2' B7' B12' -4.2(3) . . . . ?
B3' C2' B7' B12' 103.1(2) . . . . ?
C1' C2' B7' B3' -39.10(19) . . . . ?
B11' C2' B7' B3' -143.4(2) . . . . ?
B6' C2' B7' B3' -107.3(2) . . . . ?
C1' C2' B7' B8' 1.3(3) . . . . ?
B11' C2' B7' B8' -103.0(2) . . . . ?
B6' C2' B7' B8' -66.9(2) . . . . ?
B3' C2' B7' B8' 40.40(18) . . . . ?
C1' C2' B7' B11' 104.3(2) . . . . ?
B6' C2' B7' B11' 36.1(2) . . . . ?
B3' C2' B7' B11' 143.4(2) . . . . ?
N1' B3' B7' C2' -107.3(3) . . . . ?
C1' B3' B7' C2' 34.21(18) . . . . ?
B8' B3' B7' C2' 133.0(2) . . . . ?
B4' B3' B7' C2' 94.0(2) . . . . ?
N1' B3' B7' B12' 156.9(2) . . . . ?
C2' B3' B7' B12' -95.8(2) . . . . ?
C1' B3' B7' B12' -61.6(2) . . . . ?
B8' B3' B7' B12' 37.17(19) . . . . ?
B4' B3' B7' B12' -1.8(3) . . . . ?
N1' B3' B7' B8' 119.7(3) . . . . ?
C2' B3' B7' B8' -133.0(2) . . . . ?
C1' B3' B7' B8' -98.7(2) . . . . ?
B4' B3' B7' B8' -38.98(19) . . . . ?
N1' B3' B7' B11' -139.7(2) . . . . ?
C2' B3' B7' B11' -32.35(19) . . . . ?
C1' B3' B7' B11' 1.9(3) . . . . ?
B8' B3' B7' B11' 100.6(2) . . . . ?
B4' B3' B7' B11' 61.6(3) . . . . ?
N1' B3' B8' B4' 111.1(3) . . . . ?
C2' B3' B8' B4' -97.13(19) . . . . ?
C1' B3' B8' B4' -39.46(17) . . . . ?
B7' B3' B8' B4' -136.6(2) . . . . ?
N1' B3' B8' B9' 148.0(2) . . . . ?
C2' B3' B8' B9' -60.2(2) . . . . ?
C1' B3' B8' B9' -2.6(2) . . . . ?
B4' B3' B8' B9' 36.90(19) . . . . ?
B7' B3' B8' B9' -99.7(2) . . . . ?
N1' B3' B8' B7' -112.3(3) . . . . ?
C2' B3' B8' B7' 39.44(17) . . . . ?
C1' B3' B8' B7' 97.1(2) . . . . ?
B4' B3' B8' B7' 136.6(2) . . . . ?
N1' B3' B8' B12' -149.0(2) . . . . ?
C2' B3' B8' B12' 2.8(2) . . . . ?
C1' B3' B8' B12' 60.4(2) . . . . ?
B4' B3' B8' B12' 99.9(2) . . . . ?
B7' B3' B8' B12' -36.68(19) . . . . ?
C1' B4' B8' B3' 40.96(17) . . . . ?
B5' B4' B8' B3' 101.8(2) . . . . ?
B9' B4' B8' B3' 138.9(2) . . . . ?
C1' B4' B8' B9' -97.9(2) . . . . ?
B3' B4' B8' B9' -138.9(2) . . . . ?
B5' B4' B8' B9' -37.06(19) . . . . ?
C1' B4' B8' B7' 2.1(2) . . . . ?
B3' B4' B8' B7' -38.84(18) . . . . ?
B5' B4' B8' B7' 63.0(2) . . . . ?
B9' B4' B8' B7' 100.0(2) . . . . ?
C1' B4' B8' B12' -60.5(2) . . . . ?
B3' B4' B8' B12' -101.5(2) . . . . ?
B5' B4' B8' B12' 0.3(3) . . . . ?
B9' B4' B8' B12' 37.40(19) . . . . ?
C2' B7' B8' B3' -40.78(18) . . . . ?
B12' B7' B8' B3' -138.8(2) . . . . ?
B11' B7' B8' B3' -101.4(2) . . . . ?
C2' B7' B8' B4' -2.1(2) . . . . ?
B12' B7' B8' B4' -100.1(2) . . . . ?
B3' B7' B8' B4' 38.69(18) . . . . ?
B11' B7' B8' B4' -62.7(2) . . . . ?
C2' B7' B8' B9' 61.1(2) . . . . ?
B12' B7' B8' B9' -36.9(2) . . . . ?
B3' B7' B8' B9' 101.8(2) . . . . ?
B11' B7' B8' B9' 0.4(3) . . . . ?
C2' B7' B8' B12' 98.0(2) . . . . ?
B3' B7' B8' B12' 138.8(2) . . . . ?
B11' B7' B8' B12' 37.3(2) . . . . ?
C1' B5' B9' B12' -61.4(2) . . . . ?
B6' B5' B9' B12' 0.7(3) . . . . ?
B4' B5' B9' B12' -101.0(2) . . . . ?
B10' B5' B9' B12' 37.34(19) . . . . ?
C1' B5' B9' B4' 39.64(18) . . . . ?
B6' B5' B9' B4' 101.7(2) . . . . ?
B10' B5' B9' B4' 138.4(2) . . . . ?
C1' B5' B9' B8' 2.7(3) . . . . ?
B6' B5' B9' B8' 64.8(2) . . . . ?
B4' B5' B9' B8' -36.92(19) . . . . ?
B10' B5' B9' B8' 101.5(2) . . . . ?
C1' B5' B9' B10' -98.7(2) . . . . ?
B6' B5' B9' B10' -36.65(19) . . . . ?
B4' B5' B9' B10' -138.4(2) . . . . ?
C1' B4' B9' B12' 61.1(2) . . . . ?
B3' B4' B9' B12' -1.6(3) . . . . ?
B5' B4' B9' B12' 100.6(2) . . . . ?
B8' B4' B9' B12' -38.1(2) . . . . ?
C1' B4' B9' B5' -39.46(18) . . . . ?
B3' B4' B9' B5' -102.2(2) . . . . ?
B8' B4' B9' B5' -138.7(2) . . . . ?
C1' B4' B9' B8' 99.2(2) . . . . ?
B3' B4' B9' B8' 36.53(19) . . . . ?
B5' B4' B9' B8' 138.7(2) . . . . ?
C1' B4' B9' B10' -2.3(3) . . . . ?
B3' B4' B9' B10' -65.0(2) . . . . ?
B5' B4' B9' B10' 37.20(19) . . . . ?
B8' B4' B9' B10' -101.5(2) . . . . ?
B3' B8' B9' B12' 100.7(2) . . . . ?
B4' B8' B9' B12' 137.7(2) . . . . ?
B7' B8' B9' B12' 36.9(2) . . . . ?
B3' B8' B9' B5' -0.1(3) . . . . ?
B4' B8' B9' B5' 36.90(19) . . . . ?
B7' B8' B9' B5' -63.8(2) . . . . ?
B12' B8' B9' B5' -100.8(2) . . . . ?
B3' B8' B9' B4' -36.96(19) . . . . ?
B7' B8' B9' B4' -100.7(2) . . . . ?
B12' B8' B9' B4' -137.7(2) . . . . ?
B3' B8' B9' B10' 63.5(3) . . . . ?
B4' B8' B9' B10' 100.4(2) . . . . ?
B7' B8' B9' B10' -0.3(3) . . . . ?
B12' B8' B9' B10' -37.2(2) . . . . ?
C1' B6' B10' B11' -97.8(2) . . . . ?
C2' B6' B10' B11' -39.53(18) . . . . ?
B5' B6' B10' B11' -137.2(2) . . . . ?
C1' B6' B10' B12' -60.4(2) . . . . ?
C2' B6' B10' B12' -2.1(3) . . . . ?
B5' B6' B10' B12' -99.8(2) . . . . ?
B11' B6' B10' B12' 37.40(19) . . . . ?
C1' B6' B10' B5' 39.41(18) . . . . ?
C2' B6' B10' B5' 97.6(2) . . . . ?
B11' B6' B10' B5' 137.2(2) . . . . ?
C1' B6' B10' B9' 2.7(3) . . . . ?
C2' B6' B10' B9' 61.0(2) . . . . ?
B5' B6' B10' B9' -36.68(19) . . . . ?
B11' B6' B10' B9' 100.5(2) . . . . ?
C1' B5' B10' B11' -2.1(3) . . . . ?
B6' B5' B10' B11' 38.38(19) . . . . ?
B4' B5' B10' B11' -63.1(3) . . . . ?
B9' B5' B10' B11' -100.5(2) . . . . ?
C1' B5' B10' B6' -40.46(18) . . . . ?
B4' B5' B10' B6' -101.5(2) . . . . ?
B9' B5' B10' B6' -138.9(2) . . . . ?
C1' B5' B10' B12' 61.3(2) . . . . ?
B6' B5' B10' B12' 101.8(2) . . . . ?
B4' B5' B10' B12' 0.3(3) . . . . ?
B9' B5' B10' B12' -37.1(2) . . . . ?
C1' B5' B10' B9' 98.4(2) . . . . ?
B6' B5' B10' B9' 138.9(2) . . . . ?
B4' B5' B10' B9' 37.37(19) . . . . ?
B12' B9' B10' B11' -37.5(2) . . . . ?
B5' B9' B10' B11' 100.7(2) . . . . ?
B4' B9' B10' B11' 63.5(3) . . . . ?
B8' B9' B10' B11' 0.1(3) . . . . ?
B12' B9' B10' B6' -101.3(2) . . . . ?
B5' B9' B10' B6' 36.82(19) . . . . ?
B4' B9' B10' B6' -0.3(3) . . . . ?
B8' B9' B10' B6' -63.8(3) . . . . ?
B5' B9' B10' B12' 138.1(2) . . . . ?
B4' B9' B10' B12' 101.0(2) . . . . ?
B8' B9' B10' B12' 37.6(2) . . . . ?
B12' B9' B10' B5' -138.1(2) . . . . ?
B4' B9' B10' B5' -37.15(19) . . . . ?
B8' B9' B10' B5' -100.6(2) . . . . ?
C1' C2' B11' B10' -1.9(3) . . . . ?
B7' C2' B11' B10' 102.7(2) . . . . ?
B6' C2' B11' B10' -40.80(19) . . . . ?
B3' C2' B11' B10' 66.6(3) . . . . ?
C1' C2' B11' B12' -64.3(2) . . . . ?
B7' C2' B11' B12' 40.22(19) . . . . ?
B6' C2' B11' B12' -103.2(2) . . . . ?
B3' C2' B11' B12' 4.1(3) . . . . ?
C1' C2' B11' B6' 38.9(2) . . . . ?
B7' C2' B11' B6' 143.5(2) . . . . ?
B3' C2' B11' B6' 107.4(2) . . . . ?
C1' C2' B11' B7' -104.5(2) . . . . ?
B6' C2' B11' B7' -143.5(2) . . . . ?
B3' C2' B11' B7' -36.1(2) . . . . ?
B6' B10' B11' C2' 40.59(19) . . . . ?
B12' B10' B11' C2' -97.8(2) . . . . ?
B5' B10' B11' C2' 2.4(3) . . . . ?
B9' B10' B11' C2' -60.6(3) . . . . ?
B6' B10' B11' B12' 138.4(2) . . . . ?
B5' B10' B11' B12' 100.2(2) . . . . ?
B9' B10' B11' B12' 37.23(19) . . . . ?
B12' B10' B11' B6' -138.4(2) . . . . ?
B5' B10' B11' B6' -38.19(19) . . . . ?
B9' B10' B11' B6' -101.2(2) . . . . ?
B6' B10' B11' B7' 101.3(2) . . . . ?
B12' B10' B11' B7' -37.1(2) . . . . ?
B5' B10' B11' B7' 63.1(3) . . . . ?
B9' B10' B11' B7' 0.2(3) . . . . ?
C1' B6' B11' C2' -34.61(18) . . . . ?
B10' B6' B11' C2' -133.0(2) . . . . ?
B5' B6' B11' C2' -94.6(2) . . . . ?
C1' B6' B11' B10' 98.4(2) . . . . ?
C2' B6' B11' B10' 133.0(2) . . . . ?
B5' B6' B11' B10' 38.39(19) . . . . ?
C1' B6' B11' B12' 60.9(2) . . . . ?
C2' B6' B11' B12' 95.5(2) . . . . ?
B10' B6' B11' B12' -37.42(19) . . . . ?
B5' B6' B11' B12' 1.0(3) . . . . ?
C1' B6' B11' B7' -2.4(3) . . . . ?
C2' B6' B11' B7' 32.24(19) . . . . ?
B10' B6' B11' B7' -100.7(2) . . . . ?
B5' B6' B11' B7' -62.3(3) . . . . ?
B12' B7' B11' C2' 133.4(2) . . . . ?
B3' B7' B11' C2' 33.03(19) . . . . ?
B8' B7' B11' C2' 95.7(2) . . . . ?
C2' B7' B11' B10' -96.1(2) . . . . ?
B12' B7' B11' B10' 37.3(2) . . . . ?
B3' B7' B11' B10' -63.1(3) . . . . ?
B8' B7' B11' B10' -0.4(3) . . . . ?
C2' B7' B11' B12' -133.4(2) . . . . ?
B3' B7' B11' B12' -100.4(2) . . . . ?
B8' B7' B11' B12' -37.7(2) . . . . ?
C2' B7' B11' B6' -32.7(2) . . . . ?
B12' B7' B11' B6' 100.7(2) . . . . ?
B3' B7' B11' B6' 0.3(3) . . . . ?
B8' B7' B11' B6' 63.0(3) . . . . ?
B5' B9' B12' B7' 63.8(2) . . . . ?
B4' B9' B12' B7' 0.5(3) . . . . ?
B8' B9' B12' B7' -37.3(2) . . . . ?
B10' B9' B12' B7' 101.2(2) . . . . ?
B5' B9' B12' B11' -0.1(3) . . . . ?
B4' B9' B12' B11' -63.4(2) . . . . ?
B8' B9' B12' B11' -101.2(2) . . . . ?
B10' B9' B12' B11' 37.29(19) . . . . ?
B5' B9' B12' B10' -37.38(19) . . . . ?
B4' B9' B12' B10' -100.7(2) . . . . ?
B8' B9' B12' B10' -138.5(2) . . . . ?
B5' B9' B12' B8' 101.1(2) . . . . ?
B4' B9' B12' B8' 37.81(19) . . . . ?
B10' B9' B12' B8' 138.5(2) . . . . ?
C2' B7' B12' B9' -61.6(2) . . . . ?
B3' B7' B12' B9' 0.8(3) . . . . ?
B8' B7' B12' B9' 37.31(19) . . . . ?
B11' B7' B12' B9' -101.0(2) . . . . ?
C2' B7' B12' B11' 39.40(18) . . . . ?
B3' B7' B12' B11' 101.8(2) . . . . ?
B8' B7' B12' B11' 138.3(2) . . . . ?
C2' B7' B12' B10' 2.5(3) . . . . ?
B3' B7' B12' B10' 64.8(3) . . . . ?
B8' B7' B12' B10' 101.3(2) . . . . ?
B11' B7' B12' B10' -36.95(19) . . . . ?
C2' B7' B12' B8' -98.9(2) . . . . ?
B3' B7' B12' B8' -36.50(19) . . . . ?
B11' B7' B12' B8' -138.3(2) . . . . ?
C2' B11' B12' B9' 61.3(2) . . . . ?
B10' B11' B12' B9' -37.73(19) . . . . ?
B6' B11' B12' B9' -0.5(3) . . . . ?
B7' B11' B12' B9' 100.8(2) . . . . ?
C2' B11' B12' B7' -39.42(18) . . . . ?
B10' B11' B12' B7' -138.5(2) . . . . ?
B6' B11' B12' B7' -101.3(2) . . . . ?
C2' B11' B12' B10' 99.1(2) . . . . ?
B6' B11' B12' B10' 37.18(19) . . . . ?
B7' B11' B12' B10' 138.5(2) . . . . ?
C2' B11' B12' B8' -2.1(3) . . . . ?
B10' B11' B12' B8' -101.1(2) . . . . ?
B6' B11' B12' B8' -63.9(2) . . . . ?
B7' B11' B12' B8' 37.37(19) . . . . ?
B11' B10' B12' B9' 138.0(2) . . . . ?
B6' B10' B12' B9' 100.5(2) . . . . ?
B5' B10' B12' B9' 37.1(2) . . . . ?
B11' B10' B12' B7' 37.35(19) . . . . ?
B6' B10' B12' B7' -0.2(3) . . . . ?
B5' B10' B12' B7' -63.6(3) . . . . ?
B9' B10' B12' B7' -100.7(2) . . . . ?
B6' B10' B12' B11' -37.53(19) . . . . ?
B5' B10' B12' B11' -100.9(2) . . . . ?
B9' B10' B12' B11' -138.0(2) . . . . ?
B11' B10' B12' B8' 100.8(2) . . . . ?
B6' B10' B12' B8' 63.3(3) . . . . ?
B5' B10' B12' B8' -0.1(3) . . . . ?
B9' B10' B12' B8' -37.2(2) . . . . ?
B3' B8' B12' B9' -101.1(2) . . . . ?
B4' B8' B12' B9' -37.6(2) . . . . ?
B7' B8' B12' B9' -138.2(2) . . . . ?
B3' B8' B12' B7' 37.11(19) . . . . ?
B4' B8' B12' B7' 100.5(2) . . . . ?
B9' B8' B12' B7' 138.2(2) . . . . ?
B3' B8' B12' B11' -0.5(3) . . . . ?
B4' B8' B12' B11' 62.9(3) . . . . ?
B9' B8' B12' B11' 100.6(2) . . . . ?
B7' B8' B12' B11' -37.6(2) . . . . ?
B3' B8' B12' B10' -63.6(3) . . . . ?
B4' B8' B12' B10' -0.1(3) . . . . ?
B9' B8' B12' B10' 37.5(2) . . . . ?
B7' B8' B12' B10' -100.7(2) . . . . ?
N1' N2' C3' C8' 177.6(2) . . . . ?
N1' N2' C3' C4' -2.6(3) . . . . ?
C8' C3' C4' C5' -1.0(3) . . . . ?
N2' C3' C4' C5' 179.3(2) . . . . ?
C3' C4' C5' C6' 0.2(4) . . . . ?
C9' N3' C6' C5' 174.2(2) . . . . ?
C10' N3' C6' C5' -2.3(3) . . . . ?
C9' N3' C6' C7' -5.8(3) . . . . ?
C10' N3' C6' C7' 177.7(2) . . . . ?
C4' C5' C6' N3' -179.4(2) . . . . ?
C4' C5' C6' C7' 0.6(3) . . . . ?
N3' C6' C7' C8' 179.3(2) . . . . ?
C5' C6' C7' C8' -0.6(3) . . . . ?
C6' C7' C8' C3' -0.1(4) . . . . ?
C4' C3' C8' C7' 0.9(3) . . . . ?
N2' C3' C8' C7' -179.3(2) . . . . ?
B3" N1" N2" C3" 179.6(2) . . . . ?
B5" C1" C2" B11" -0.2(3) . . . . ?
B4" C1" C2" B11" 69.1(3) . . . . ?
B6" C1" C2" B11" -39.4(2) . . . . ?
B3" C1" C2" B11" 108.7(2) . . . . ?
B5" C1" C2" B7" -69.2(3) . . . . ?
B4" C1" C2" B7" 0.1(3) . . . . ?
B6" C1" C2" B7" -108.4(2) . . . . ?
B3" C1" C2" B7" 39.7(2) . . . . ?
B5" C1" C2" B6" 39.2(2) . . . . ?
B4" C1" C2" B6" 108.5(2) . . . . ?
B3" C1" C2" B6" 148.1(2) . . . . ?
B5" C1" C2" B3" -108.9(3) . . . . ?
B4" C1" C2" B3" -39.6(2) . . . . ?
B6" C1" C2" B3" -148.1(2) . . . . ?
N2" N1" B3" C2" 30.9(3) . . . . ?
N2" N1" B3" C1" -34.6(3) . . . . ?
N2" N1" B3" B8" 179.2(2) . . . . ?
N2" N1" B3" B7" 100.7(3) . . . . ?
N2" N1" B3" B4" -103.4(3) . . . . ?
C1" C2" B3" N1" -107.5(3) . . . . ?
B11" C2" B3" N1" 150.6(2) . . . . ?
B7" C2" B3" N1" 114.4(3) . . . . ?
B6" C2" B3" N1" -138.8(2) . . . . ?
B11" C2" B3" C1" -101.9(2) . . . . ?
B7" C2" B3" C1" -138.1(2) . . . . ?
B6" C2" B3" C1" -31.3(2) . . . . ?
C1" C2" B3" B8" 96.9(2) . . . . ?
B11" C2" B3" B8" -5.0(3) . . . . ?
B7" C2" B3" B8" -41.16(19) . . . . ?
B6" C2" B3" B8" 65.6(3) . . . . ?
C1" C2" B3" B7" 138.1(2) . . . . ?
B11" C2" B3" B7" 36.2(2) . . . . ?
B6" C2" B3" B7" 106.8(2) . . . . ?
C1" C2" B3" B4" 35.07(19) . . . . ?
B11" C2" B3" B4" -66.8(3) . . . . ?
B7" C2" B3" B4" -103.0(2) . . . . ?
B6" C2" B3" B4" 3.7(3) . . . . ?
C2" C1" B3" N1" 108.6(3) . . . . ?
B5" C1" B3" N1" -149.4(2) . . . . ?
B4" C1" B3" N1" -113.2(3) . . . . ?
B6" C1" B3" N1" 139.9(2) . . . . ?
B5" C1" B3" C2" 101.9(2) . . . . ?
B4" C1" B3" C2" 138.2(2) . . . . ?
B6" C1" B3" C2" 31.3(2) . . . . ?
C2" C1" B3" B8" -97.3(2) . . . . ?
B5" C1" B3" B8" 4.7(3) . . . . ?
B4" C1" B3" B8" 40.93(19) . . . . ?
B6" C1" B3" B8" -66.0(3) . . . . ?
C2" C1" B3" B7" -35.23(18) . . . . ?
B5" C1" B3" B7" 66.7(3) . . . . ?
B4" C1" B3" B7" 103.0(2) . . . . ?
B6" C1" B3" B7" -4.0(3) . . . . ?
C2" C1" B3" B4" -138.2(2) . . . . ?
B5" C1" B3" B4" -36.3(2) . . . . ?
B6" C1" B3" B4" -106.9(3) . . . . ?
C2" C1" B4" B8" -1.5(3) . . . . ?
B5" C1" B4" B8" 102.8(2) . . . . ?
B6" C1" B4" B8" 66.7(3) . . . . ?
B3" C1" B4" B8" -40.89(19) . . . . ?
C2" C1" B4" B3" 39.3(2) . . . . ?
B5" C1" B4" B3" 143.7(2) . . . . ?
B6" C1" B4" B3" 107.6(2) . . . . ?
C2" C1" B4" B5" -104.4(2) . . . . ?
B6" C1" B4" B5" -36.1(2) . . . . ?
B3" C1" B4" B5" -143.7(2) . . . . ?
C2" C1" B4" B9" -63.8(3) . . . . ?
B5" C1" B4" B9" 40.6(2) . . . . ?
B6" C1" B4" B9" 4.4(3) . . . . ?
B3" C1" B4" B9" -103.1(2) . . . . ?
N1" B3" B4" C1" 106.7(3) . . . . ?
C2" B3" B4" C1" -34.30(18) . . . . ?
B8" B3" B4" C1" -132.6(2) . . . . ?
B7" B3" B4" C1" -93.8(2) . . . . ?
N1" B3" B4" B8" -120.7(3) . . . . ?
C2" B3" B4" B8" 98.3(2) . . . . ?
C1" B3" B4" B8" 132.6(2) . . . . ?
B7" B3" B4" B8" 38.8(2) . . . . ?
N1" B3" B4" B5" 138.8(3) . . . . ?
C2" B3" B4" B5" -2.2(3) . . . . ?
C1" B3" B4" B5" 32.1(2) . . . . ?
B8" B3" B4" B5" -100.5(2) . . . . ?
B7" B3" B4" B5" -61.7(3) . . . . ?
N1" B3" B4" B9" -157.3(3) . . . . ?
C2" B3" B4" B9" 61.7(3) . . . . ?
C1" B3" B4" B9" 96.0(2) . . . . ?
B8" B3" B4" B9" -36.6(2) . . . . ?
B7" B3" B4" B9" 2.2(3) . . . . ?
C2" C1" B5" B6" -38.9(2) . . . . ?
B4" C1" B5" B6" -143.2(2) . . . . ?
B3" C1" B5" B6" -107.4(2) . . . . ?
C2" C1" B5" B4" 104.4(2) . . . . ?
B6" C1" B5" B4" 143.2(2) . . . . ?
B3" C1" B5" B4" 35.9(2) . . . . ?
C2" C1" B5" B10" 2.0(3) . . . . ?
B4" C1" B5" B10" -102.4(3) . . . . ?
B6" C1" B5" B10" 40.9(2) . . . . ?
B3" C1" B5" B10" -66.5(3) . . . . ?
C2" C1" B5" B9" 63.9(3) . . . . ?
B4" C1" B5" B9" -40.4(2) . . . . ?
B6" C1" B5" B9" 102.8(2) . . . . ?
B3" C1" B5" B9" -4.6(3) . . . . ?
B8" B4" B5" C1" -96.0(2) . . . . ?
B3" B4" B5" C1" -32.8(2) . . . . ?
B9" B4" B5" C1" -133.3(2) . . . . ?
C1" B4" B5" B6" 33.0(2) . . . . ?
B8" B4" B5" B6" -63.0(3) . . . . ?
B3" B4" B5" B6" 0.1(3) . . . . ?
B9" B4" B5" B6" -100.4(2) . . . . ?
C1" B4" B5" B10" 96.1(2) . . . . ?
B8" B4" B5" B10" 0.1(3) . . . . ?
B3" B4" B5" B10" 63.3(3) . . . . ?
B9" B4" B5" B10" -37.2(2) . . . . ?
C1" B4" B5" B9" 133.3(2) . . . . ?
B8" B4" B5" B9" 37.3(2) . . . . ?
B3" B4" B5" B9" 100.5(2) . . . . ?
B11" C2" B6" C1" 138.3(2) . . . . ?
B7" C2" B6" C1" 102.2(2) . . . . ?
B3" C2" B6" C1" 31.5(2) . . . . ?
C1" C2" B6" B10" -97.7(2) . . . . ?
B11" C2" B6" B10" 40.5(2) . . . . ?
B7" C2" B6" B10" 4.4(3) . . . . ?
B3" C2" B6" B10" -66.3(3) . . . . ?
C1" C2" B6" B11" -138.3(2) . . . . ?
B7" C2" B6" B11" -36.1(2) . . . . ?
B3" C2" B6" B11" -106.8(2) . . . . ?
C1" C2" B6" B5" -35.1(2) . . . . ?
B11" C2" B6" B5" 103.1(2) . . . . ?
B7" C2" B6" B5" 67.0(3) . . . . ?
B3" C2" B6" B5" -3.7(3) . . . . ?
B5" C1" B6" C2" -138.6(2) . . . . ?
B4" C1" B6" C2" -102.0(2) . . . . ?
B3" C1" B6" C2" -31.3(2) . . . . ?
C2" C1" B6" B10" 97.3(2) . . . . ?
B5" C1" B6" B10" -41.3(2) . . . . ?
B4" C1" B6" B10" -4.7(3) . . . . ?
B3" C1" B6" B10" 66.0(3) . . . . ?
C2" C1" B6" B11" 35.4(2) . . . . ?
B5" C1" B6" B11" -103.2(2) . . . . ?
B4" C1" B6" B11" -66.6(3) . . . . ?
B3" C1" B6" B11" 4.1(3) . . . . ?
C2" C1" B6" B5" 138.6(2) . . . . ?
B4" C1" B6" B5" 36.6(2) . . . . ?
B3" C1" B6" B5" 107.3(3) . . . . ?
C1" B5" B6" C2" 34.40(19) . . . . ?
B4" B5" B6" C2" 2.0(3) . . . . ?
B10" B5" B6" C2" -98.3(2) . . . . ?
B9" B5" B6" C2" -61.5(3) . . . . ?
B4" B5" B6" C1" -32.4(2) . . . . ?
B10" B5" B6" C1" -132.7(2) . . . . ?
B9" B5" B6" C1" -95.9(2) . . . . ?
C1" B5" B6" B10" 132.7(2) . . . . ?
B4" B5" B6" B10" 100.3(3) . . . . ?
B9" B5" B6" B10" 36.8(2) . . . . ?
C1" B5" B6" B11" 94.6(2) . . . . ?
B4" B5" B6" B11" 62.1(3) . . . . ?
B10" B5" B6" B11" -38.2(2) . . . . ?
B9" B5" B6" B11" -1.4(3) . . . . ?
C1" C2" B7" B12" 63.6(3) . . . . ?
B11" C2" B7" B12" -40.3(2) . . . . ?
B6" C2" B7" B12" -4.6(3) . . . . ?
B3" C2" B7" B12" 103.2(2) . . . . ?
C1" C2" B7" B11" 104.0(2) . . . . ?
B6" C2" B7" B11" 35.7(2) . . . . ?
B3" C2" B7" B11" 143.6(2) . . . . ?
C1" C2" B7" B3" -39.57(19) . . . . ?
B11" C2" B7" B3" -143.6(2) . . . . ?
B6" C2" B7" B3" -107.8(2) . . . . ?
C1" C2" B7" B8" 1.4(3) . . . . ?
B11" C2" B7" B8" -102.6(2) . . . . ?
B6" C2" B7" B8" -66.9(3) . . . . ?
B3" C2" B7" B8" 40.96(19) . . . . ?
N1" B3" B7" C2" -107.1(3) . . . . ?
C1" B3" B7" C2" 34.39(18) . . . . ?
B8" B3" B7" C2" 132.5(2) . . . . ?
B4" B3" B7" C2" 93.7(2) . . . . ?
N1" B3" B7" B12" 157.0(2) . . . . ?
C2" B3" B7" B12" -95.9(2) . . . . ?
C1" B3" B7" B12" -61.6(3) . . . . ?
B8" B3" B7" B12" 36.6(2) . . . . ?
B4" B3" B7" B12" -2.2(3) . . . . ?
N1" B3" B7" B11" -139.3(3) . . . . ?
C2" B3" B7" B11" -32.26(19) . . . . ?
C1" B3" B7" B11" 2.1(3) . . . . ?
B8" B3" B7" B11" 100.2(2) . . . . ?
B4" B3" B7" B11" 61.5(3) . . . . ?
N1" B3" B7" B8" 120.4(3) . . . . ?
C2" B3" B7" B8" -132.5(2) . . . . ?
C1" B3" B7" B8" -98.1(2) . . . . ?
B4" B3" B7" B8" -38.8(2) . . . . ?
N1" B3" B8" B4" 110.9(3) . . . . ?
C2" B3" B8" B4" -96.8(2) . . . . ?
C1" B3" B8" B4" -39.49(18) . . . . ?
B7" B3" B8" B4" -136.5(2) . . . . ?
N1" B3" B8" B7" -112.6(3) . . . . ?
C2" B3" B8" B7" 39.70(19) . . . . ?
C1" B3" B8" B7" 97.0(2) . . . . ?
B4" B3" B8" B7" 136.5(2) . . . . ?
N1" B3" B8" B12" -149.0(3) . . . . ?
C2" B3" B8" B12" 3.3(3) . . . . ?
C1" B3" B8" B12" 60.6(2) . . . . ?
B7" B3" B8" B12" -36.4(2) . . . . ?
B4" B3" B8" B12" 100.1(2) . . . . ?
N1" B3" B8" B9" 147.7(3) . . . . ?
C2" B3" B8" B9" -60.0(2) . . . . ?
C1" B3" B8" B9" -2.7(3) . . . . ?
B7" B3" B8" B9" -99.7(2) . . . . ?
B4" B3" B8" B9" 36.8(2) . . . . ?
C1" B4" B8" B3" 41.13(19) . . . . ?
B5" B4" B8" B3" 101.8(2) . . . . ?
B9" B4" B8" B3" 139.2(2) . . . . ?
C1" B4" B8" B7" 2.3(3) . . . . ?
B3" B4" B8" B7" -38.8(2) . . . . ?
B5" B4" B8" B7" 63.0(3) . . . . ?
B9" B4" B8" B7" 100.4(2) . . . . ?
C1" B4" B8" B12" -60.6(3) . . . . ?
B3" B4" B8" B12" -101.7(2) . . . . ?
B5" B4" B8" B12" 0.1(3) . . . . ?
B9" B4" B8" B12" 37.5(2) . . . . ?
C1" B4" B8" B9" -98.0(2) . . . . ?
B3" B4" B8" B9" -139.2(2) . . . . ?
B5" B4" B8" B9" -37.4(2) . . . . ?
C2" B7" B8" B3" -41.15(19) . . . . ?
B12" B7" B8" B3" -139.3(2) . . . . ?
B11" B7" B8" B3" -101.8(2) . . . . ?
C2" B7" B8" B4" -2.3(3) . . . . ?
B12" B7" B8" B4" -100.4(2) . . . . ?
B11" B7" B8" B4" -63.0(3) . . . . ?
B3" B7" B8" B4" 38.9(2) . . . . ?
C2" B7" B8" B12" 98.2(2) . . . . ?
B11" B7" B8" B12" 37.5(2) . . . . ?
B3" B7" B8" B12" 139.3(2) . . . . ?
C2" B7" B8" B9" 61.1(3) . . . . ?
B12" B7" B8" B9" -37.1(2) . . . . ?
B11" B7" B8" B9" 0.4(3) . . . . ?
B3" B7" B8" B9" 102.2(2) . . . . ?
C1" B4" B9" B12" 61.2(3) . . . . ?
B8" B4" B9" B12" -37.7(2) . . . . ?
B3" B4" B9" B12" -1.4(3) . . . . ?
B5" B4" B9" B12" 100.7(3) . . . . ?
C1" B4" B9" B10" -2.2(3) . . . . ?
B8" B4" B9" B10" -101.1(2) . . . . ?
B3" B4" B9" B10" -64.8(3) . . . . ?
B5" B4" B9" B10" 37.3(2) . . . . ?
C1" B4" B9" B8" 98.9(2) . . . . ?
B3" B4" B9" B8" 36.3(2) . . . . ?
B5" B4" B9" B8" 138.4(2) . . . . ?
C1" B4" B9" B5" -39.5(2) . . . . ?
B8" B4" B9" B5" -138.4(2) . . . . ?
B3" B4" B9" B5" -102.0(2) . . . . ?
B3" B8" B9" B12" 100.8(2) . . . . ?
B4" B8" B9" B12" 137.8(2) . . . . ?
B7" B8" B9" B12" 37.1(2) . . . . ?
B3" B8" B9" B10" 63.6(3) . . . . ?
B4" B8" B9" B10" 100.5(2) . . . . ?
B7" B8" B9" B10" -0.1(3) . . . . ?
B12" B8" B9" B10" -37.2(2) . . . . ?
B3" B8" B9" B4" -36.9(2) . . . . ?
B7" B8" B9" B4" -100.6(2) . . . . ?
B12" B8" B9" B4" -137.8(2) . . . . ?
B3" B8" B9" B5" 0.2(3) . . . . ?
B4" B8" B9" B5" 37.1(2) . . . . ?
B7" B8" B9" B5" -63.5(3) . . . . ?
B12" B8" B9" B5" -100.6(2) . . . . ?
C1" B5" B9" B12" -61.0(3) . . . . ?
B6" B5" B9" B12" 1.1(3) . . . . ?
B4" B5" B9" B12" -100.5(2) . . . . ?
B10" B5" B9" B12" 37.7(2) . . . . ?
C1" B5" B9" B10" -98.8(2) . . . . ?
B6" B5" B9" B10" -36.7(2) . . . . ?
B4" B5" B9" B10" -138.3(2) . . . . ?
C1" B5" B9" B4" 39.5(2) . . . . ?
B6" B5" B9" B4" 101.6(2) . . . . ?
B10" B5" B9" B4" 138.3(2) . . . . ?
C1" B5" B9" B8" 2.5(3) . . . . ?
B6" B5" B9" B8" 64.5(3) . . . . ?
B4" B5" B9" B8" -37.1(2) . . . . ?
B10" B5" B9" B8" 101.2(2) . . . . ?
C2" B6" B10" B11" -39.4(2) . . . . ?
C1" B6" B10" B11" -97.5(2) . . . . ?
B5" B6" B10" B11" -137.3(2) . . . . ?
C2" B6" B10" B12" -2.3(3) . . . . ?
C1" B6" B10" B12" -60.3(3) . . . . ?
B11" B6" B10" B12" 37.1(2) . . . . ?
B5" B6" B10" B12" -100.2(2) . . . . ?
C2" B6" B10" B9" 60.9(3) . . . . ?
C1" B6" B10" B9" 2.8(3) . . . . ?
B11" B6" B10" B9" 100.3(3) . . . . ?
B5" B6" B10" B9" -37.0(2) . . . . ?
C2" B6" B10" B5" 97.9(2) . . . . ?
C1" B6" B10" B5" 39.9(2) . . . . ?
B11" B6" B10" B5" 137.3(2) . . . . ?
B12" B9" B10" B6" -100.9(2) . . . . ?
B4" B9" B10" B6" -0.4(3) . . . . ?
B8" B9" B10" B6" -63.6(3) . . . . ?
B5" B9" B10" B6" 36.8(2) . . . . ?
B12" B9" B10" B11" -37.5(2) . . . . ?
B4" B9" B10" B11" 63.0(3) . . . . ?
B8" B9" B10" B11" -0.2(3) . . . . ?
B5" B9" B10" B11" 100.2(2) . . . . ?
B4" B9" B10" B12" 100.5(2) . . . . ?
B8" B9" B10" B12" 37.2(2) . . . . ?
B5" B9" B10" B12" 137.7(2) . . . . ?
B12" B9" B10" B5" -137.7(2) . . . . ?
B4" B9" B10" B5" -37.2(2) . . . . ?
B8" B9" B10" B5" -100.5(2) . . . . ?
C1" B5" B10" B6" -40.8(2) . . . . ?
B4" B5" B10" B6" -101.5(2) . . . . ?
B9" B5" B10" B6" -138.8(2) . . . . ?
C1" B5" B10" B11" -2.9(3) . . . . ?
B6" B5" B10" B11" 38.0(2) . . . . ?
B4" B5" B10" B11" -63.5(3) . . . . ?
B9" B5" B10" B11" -100.8(2) . . . . ?
C1" B5" B10" B12" 60.4(3) . . . . ?
B6" B5" B10" B12" 101.2(2) . . . . ?
B4" B5" B10" B12" -0.3(3) . . . . ?
B9" B5" B10" B12" -37.5(2) . . . . ?
C1" B5" B10" B9" 97.9(2) . . . . ?
B6" B5" B10" B9" 138.8(2) . . . . ?
B4" B5" B10" B9" 37.3(2) . . . . ?
C1" C2" B11" B6" 39.1(2) . . . . ?
B7" C2" B11" B6" 143.6(2) . . . . ?
B3" C2" B11" B6" 107.8(2) . . . . ?
C1" C2" B11" B10" -1.6(3) . . . . ?
B7" C2" B11" B10" 102.9(2) . . . . ?
B6" C2" B11" B10" -40.8(2) . . . . ?
B3" C2" B11" B10" 67.0(3) . . . . ?
C1" C2" B11" B12" -64.1(3) . . . . ?
B7" C2" B11" B12" 40.3(2) . . . . ?
B6" C2" B11" B12" -103.3(2) . . . . ?
B3" C2" B11" B12" 4.5(3) . . . . ?
C1" C2" B11" B7" -104.5(2) . . . . ?
B6" C2" B11" B7" -143.6(2) . . . . ?
B3" C2" B11" B7" -35.9(2) . . . . ?
C1" B6" B11" C2" -34.65(19) . . . . ?
B10" B6" B11" C2" -133.2(2) . . . . ?
B5" B6" B11" C2" -94.8(2) . . . . ?
C2" B6" B11" B10" 133.2(2) . . . . ?
C1" B6" B11" B10" 98.6(2) . . . . ?
B5" B6" B11" B10" 38.4(2) . . . . ?
C2" B6" B11" B12" 95.9(2) . . . . ?
C1" B6" B11" B12" 61.3(3) . . . . ?
B10" B6" B11" B12" -37.3(2) . . . . ?
B5" B6" B11" B12" 1.1(3) . . . . ?
C2" B6" B11" B7" 32.3(2) . . . . ?
C1" B6" B11" B7" -2.4(3) . . . . ?
B10" B6" B11" B7" -100.9(2) . . . . ?
B5" B6" B11" B7" -62.5(3) . . . . ?
B6" B10" B11" C2" 40.6(2) . . . . ?
B12" B10" B11" C2" -98.0(2) . . . . ?
B9" B10" B11" C2" -60.7(3) . . . . ?
B5" B10" B11" C2" 2.7(3) . . . . ?
B12" B10" B11" B6" -138.6(2) . . . . ?
B9" B10" B11" B6" -101.2(2) . . . . ?
B5" B10" B11" B6" -37.8(2) . . . . ?
B6" B10" B11" B12" 138.6(2) . . . . ?
B9" B10" B11" B12" 37.3(2) . . . . ?
B5" B10" B11" B12" 100.7(3) . . . . ?
B6" B10" B11" B7" 101.7(2) . . . . ?
B12" B10" B11" B7" -36.9(2) . . . . ?
B9" B10" B11" B7" 0.5(3) . . . . ?
B5" B10" B11" B7" 63.9(3) . . . . ?
B12" B7" B11" C2" 133.5(2) . . . . ?
B3" B7" B11" C2" 32.9(2) . . . . ?
B8" B7" B11" C2" 96.0(2) . . . . ?
C2" B7" B11" B6" -32.8(2) . . . . ?
B12" B7" B11" B6" 100.7(2) . . . . ?
B3" B7" B11" B6" 0.1(3) . . . . ?
B8" B7" B11" B6" 63.2(3) . . . . ?
C2" B7" B11" B10" -96.5(2) . . . . ?
B12" B7" B11" B10" 37.0(2) . . . . ?
B3" B7" B11" B10" -63.6(3) . . . . ?
B8" B7" B11" B10" -0.5(3) . . . . ?
C2" B7" B11" B12" -133.5(2) . . . . ?
B3" B7" B11" B12" -100.6(2) . . . . ?
B8" B7" B11" B12" -37.5(2) . . . . ?
B10" B9" B12" B7" 100.9(2) . . . . ?
B4" B9" B12" B7" 0.0(3) . . . . ?
B8" B9" B12" B7" -37.6(2) . . . . ?
B5" B9" B12" B7" 63.2(3) . . . . ?
B10" B9" B12" B11" 37.3(2) . . . . ?
B4" B9" B12" B11" -63.6(3) . . . . ?
B8" B9" B12" B11" -101.1(2) . . . . ?
B5" B9" B12" B11" -0.4(3) . . . . ?
B4" B9" B12" B10" -100.9(3) . . . . ?
B8" B9" B12" B10" -138.5(2) . . . . ?
B5" B9" B12" B10" -37.7(2) . . . . ?
B10" B9" B12" B8" 138.5(2) . . . . ?
B4" B9" B12" B8" 37.6(2) . . . . ?
B5" B9" B12" B8" 100.8(2) . . . . ?
C2" B7" B12" B9" -61.1(3) . . . . ?
B11" B7" B12" B9" -100.5(2) . . . . ?
B3" B7" B12" B9" 1.4(3) . . . . ?
B8" B7" B12" B9" 37.6(2) . . . . ?
C2" B7" B12" B11" 39.4(2) . . . . ?
B3" B7" B12" B11" 101.9(2) . . . . ?
B8" B7" B12" B11" 138.1(2) . . . . ?
C2" B7" B12" B10" 2.8(3) . . . . ?
B11" B7" B12" B10" -36.6(2) . . . . ?
B3" B7" B12" B10" 65.2(3) . . . . ?
B8" B7" B12" B10" 101.5(2) . . . . ?
C2" B7" B12" B8" -98.7(2) . . . . ?
B11" B7" B12" B8" -138.1(2) . . . . ?
B3" B7" B12" B8" -36.3(2) . . . . ?
C2" B11" B12" B9" 61.8(3) . . . . ?
B6" B11" B12" B9" -0.5(3) . . . . ?
B10" B11" B12" B9" -37.6(2) . . . . ?
B7" B11" B12" B9" 101.3(2) . . . . ?
C2" B11" B12" B7" -39.5(2) . . . . ?
B6" B11" B12" B7" -101.8(2) . . . . ?
B10" B11" B12" B7" -138.9(2) . . . . ?
C2" B11" B12" B10" 99.4(2) . . . . ?
B6" B11" B12" B10" 37.1(2) . . . . ?
B7" B11" B12" B10" 138.9(2) . . . . ?
C2" B11" B12" B8" -2.0(3) . . . . ?
B6" B11" B12" B8" -64.2(3) . . . . ?
B10" B11" B12" B8" -101.4(2) . . . . ?
B7" B11" B12" B8" 37.5(2) . . . . ?
B6" B10" B12" B9" 100.9(2) . . . . ?
B11" B10" B12" B9" 138.0(2) . . . . ?
B5" B10" B12" B9" 37.8(2) . . . . ?
B6" B10" B12" B7" -0.3(3) . . . . ?
B11" B10" B12" B7" 36.8(2) . . . . ?
B9" B10" B12" B7" -101.2(2) . . . . ?
B5" B10" B12" B7" -63.4(3) . . . . ?
B6" B10" B12" B11" -37.1(2) . . . . ?
B9" B10" B12" B11" -138.0(2) . . . . ?
B5" B10" B12" B11" -100.2(2) . . . . ?
B6" B10" B12" B8" 63.5(3) . . . . ?
B11" B10" B12" B8" 100.6(2) . . . . ?
B9" B10" B12" B8" -37.4(2) . . . . ?
B5" B10" B12" B8" 0.3(3) . . . . ?
B3" B8" B12" B9" -101.5(2) . . . . ?
B4" B8" B12" B9" -37.7(2) . . . . ?
B7" B8" B12" B9" -138.1(2) . . . . ?
B3" B8" B12" B7" 36.6(2) . . . . ?
B4" B8" B12" B7" 100.5(2) . . . . ?
B9" B8" B12" B7" 138.1(2) . . . . ?
B3" B8" B12" B11" -0.9(3) . . . . ?
B4" B8" B12" B11" 62.9(3) . . . . ?
B7" B8" B12" B11" -37.5(2) . . . . ?
B9" B8" B12" B11" 100.6(2) . . . . ?
B3" B8" B12" B10" -64.1(3) . . . . ?
B4" B8" B12" B10" -0.3(3) . . . . ?
B7" B8" B12" B10" -100.7(2) . . . . ?
B9" B8" B12" B10" 37.4(2) . . . . ?
N1" N2" C3" C4" -178.4(2) . . . . ?
N1" N2" C3" C8" 1.6(3) . . . . ?
C8" C3" C4" C5" -0.7(3) . . . . ?
N2" C3" C4" C5" 179.3(2) . . . . ?
C3" C4" C5" C6" -0.8(3) . . . . ?
C10" N3" C6" C5" 0.1(3) . . . . ?
C9" N3" C6" C5" -174.3(2) . . . . ?
C10" N3" C6" C7" 179.6(2) . . . . ?
C9" N3" C6" C7" 5.1(3) . . . . ?
C4" C5" C6" N3" -178.3(2) . . . . ?
C4" C5" C6" C7" 2.2(3) . . . . ?
N3" C6" C7" C8" 178.3(2) . . . . ?
C5" C6" C7" C8" -2.2(3) . . . . ?
C6" C7" C8" C3" 0.7(4) . . . . ?
C4" C3" C8" C7" 0.7(3) . . . . ?
N2" C3" C8" C7" -179.2(2) . . . . ?
B3D N1D N2D C3D -178.5(2) . . . . ?
B4D C1D C2D B7D 0.7(3) . . . . ?
B5D C1D C2D B7D -68.7(3) . . . . ?
B6D C1D C2D B7D -108.2(2) . . . . ?
B3D C1D C2D B7D 39.65(19) . . . . ?
B4D C1D C2D B11D 69.7(3) . . . . ?
B5D C1D C2D B11D 0.4(3) . . . . ?
B6D C1D C2D B11D -39.1(2) . . . . ?
B3D C1D C2D B11D 108.7(2) . . . . ?
B4D C1D C2D B3D -38.99(19) . . . . ?
B5D C1D C2D B3D -108.4(2) . . . . ?
B6D C1D C2D B3D -147.9(2) . . . . ?
B4D C1D C2D B6D 108.9(2) . . . . ?
B5D C1D C2D B6D 39.5(2) . . . . ?
B3D C1D C2D B6D 147.9(2) . . . . ?
N2D N1D B3D C2D 31.5(3) . . . . ?
N2D N1D B3D C1D -34.7(3) . . . . ?
N2D N1D B3D B8D 178.1(2) . . . . ?
N2D N1D B3D B4D -104.1(3) . . . . ?
N2D N1D B3D B7D 100.8(3) . . . . ?
C1D C2D B3D N1D -108.8(3) . . . . ?
B7D C2D B3D N1D 113.0(3) . . . . ?
B11D C2D B3D N1D 149.3(2) . . . . ?
B6D C2D B3D N1D -140.2(2) . . . . ?
B7D C2D B3D C1D -138.2(2) . . . . ?
B11D C2D B3D C1D -101.9(2) . . . . ?
B6D C2D B3D C1D -31.3(2) . . . . ?
C1D C2D B3D B8D 97.2(2) . . . . ?
B7D C2D B3D B8D -41.02(19) . . . . ?
B11D C2D B3D B8D -4.7(3) . . . . ?
B6D C2D B3D B8D 65.8(3) . . . . ?
C1D C2D B3D B4D 34.89(17) . . . . ?
B7D C2D B3D B4D -103.3(2) . . . . ?
B11D C2D B3D B4D -67.0(2) . . . . ?
B6D C2D B3D B4D 3.6(3) . . . . ?
C1D C2D B3D B7D 138.2(2) . . . . ?
B11D C2D B3D B7D 36.3(2) . . . . ?
B6D C2D B3D B7D 106.9(2) . . . . ?
C2D C1D B3D N1D 107.8(3) . . . . ?
B4D C1D B3D N1D -113.6(3) . . . . ?
B5D C1D B3D N1D -150.5(2) . . . . ?
B6D C1D B3D N1D 139.3(2) . . . . ?
B4D C1D B3D C2D 138.6(2) . . . . ?
B5D C1D B3D C2D 101.6(2) . . . . ?
B6D C1D B3D C2D 31.5(2) . . . . ?
C2D C1D B3D B8D -97.6(2) . . . . ?
B4D C1D B3D B8D 41.0(2) . . . . ?
B5D C1D B3D B8D 4.0(3) . . . . ?
B6D C1D B3D B8D -66.2(3) . . . . ?
C2D C1D B3D B4D -138.6(2) . . . . ?
B5D C1D B3D B4D -36.9(2) . . . . ?
B6D C1D B3D B4D -107.1(2) . . . . ?
C2D C1D B3D B7D -35.37(18) . . . . ?
B4D C1D B3D B7D 103.2(2) . . . . ?
B5D C1D B3D B7D 66.3(3) . . . . ?
B6D C1D B3D B7D -3.9(3) . . . . ?
C2D C1D B4D B3D 38.64(19) . . . . ?
B5D C1D B4D B3D 142.9(2) . . . . ?
B6D C1D B4D B3D 106.9(2) . . . . ?
C2D C1D B4D B8D -2.0(3) . . . . ?
B5D C1D B4D B8D 102.2(2) . . . . ?
B6D C1D B4D B8D 66.2(3) . . . . ?
B3D C1D B4D B8D -40.68(18) . . . . ?
C2D C1D B4D B9D -64.1(2) . . . . ?
B5D C1D B4D B9D 40.16(19) . . . . ?
B6D C1D B4D B9D 4.2(3) . . . . ?
B3D C1D B4D B9D -102.8(2) . . . . ?
C2D C1D B4D B5D -104.3(2) . . . . ?
B6D C1D B4D B5D -36.0(2) . . . . ?
B3D C1D B4D B5D -142.9(2) . . . . ?
N1D B3D B4D C1D 107.4(3) . . . . ?
C2D B3D B4D C1D -34.32(17) . . . . ?
B8D B3D B4D C1D -132.9(2) . . . . ?
B7D B3D B4D C1D -94.3(2) . . . . ?
N1D B3D B4D B8D -119.8(3) . . . . ?
C2D B3D B4D B8D 98.6(2) . . . . ?
C1D B3D B4D B8D 132.9(2) . . . . ?
B7D B3D B4D B8D 38.6(2) . . . . ?
N1D B3D B4D B9D -156.6(2) . . . . ?
C2D B3D B4D B9D 61.7(2) . . . . ?
C1D B3D B4D B9D 96.0(2) . . . . ?
B8D B3D B4D B9D -36.8(2) . . . . ?
B7D B3D B4D B9D 1.8(3) . . . . ?
N1D B3D B4D B5D 140.2(2) . . . . ?
C2D B3D B4D B5D -1.5(3) . . . . ?
C1D B3D B4D B5D 32.83(19) . . . . ?
B8D B3D B4D B5D -100.1(2) . . . . ?
B7D B3D B4D B5D -61.4(3) . . . . ?
C2D C1D B5D B6D -39.3(2) . . . . ?
B4D C1D B5D B6D -143.4(2) . . . . ?
B3D C1D B5D B6D -107.1(2) . . . . ?
C2D C1D B5D B10D 1.6(3) . . . . ?
B4D C1D B5D B10D -102.4(2) . . . . ?
B6D C1D B5D B10D 41.0(2) . . . . ?
B3D C1D B5D B10D -66.1(3) . . . . ?
C2D C1D B5D B9D 63.7(3) . . . . ?
B4D C1D B5D B9D -40.3(2) . . . . ?
B6D C1D B5D B9D 103.1(2) . . . . ?
B3D C1D B5D B9D -4.0(3) . . . . ?
C2D C1D B5D B4D 104.0(2) . . . . ?
B6D C1D B5D B4D 143.4(2) . . . . ?
B3D C1D B5D B4D 36.3(2) . . . . ?
B3D B4D B5D C1D -33.63(19) . . . . ?
B8D B4D B5D C1D -96.5(2) . . . . ?
B9D B4D B5D C1D -133.5(2) . . . . ?
C1D B4D B5D B6D 32.81(19) . . . . ?
B3D B4D B5D B6D -0.8(3) . . . . ?
B8D B4D B5D B6D -63.7(3) . . . . ?
B9D B4D B5D B6D -100.7(2) . . . . ?
C1D B4D B5D B10D 96.1(2) . . . . ?
B3D B4D B5D B10D 62.5(3) . . . . ?
B8D B4D B5D B10D -0.4(3) . . . . ?
B9D B4D B5D B10D -37.3(2) . . . . ?
C1D B4D B5D B9D 133.5(2) . . . . ?
B3D B4D B5D B9D 99.8(2) . . . . ?
B8D B4D B5D B9D 36.9(2) . . . . ?
B4D C1D B6D C2D -101.5(2) . . . . ?
B5D C1D B6D C2D -138.1(2) . . . . ?
B3D C1D B6D C2D -31.3(2) . . . . ?
C2D C1D B6D B10D 97.1(2) . . . . ?
B4D C1D B6D B10D -4.4(3) . . . . ?
B5D C1D B6D B10D -40.98(19) . . . . ?
B3D C1D B6D B10D 65.8(3) . . . . ?
C2D C1D B6D B5D 138.1(2) . . . . ?
B4D C1D B6D B5D 36.6(2) . . . . ?
B3D C1D B6D B5D 106.8(2) . . . . ?
C2D C1D B6D B11D 35.18(18) . . . . ?
B4D C1D B6D B11D -66.3(3) . . . . ?
B5D C1D B6D B11D -102.9(2) . . . . ?
B3D C1D B6D B11D 3.9(3) . . . . ?
B7D C2D B6D C1D 102.1(2) . . . . ?
B11D C2D B6D C1D 138.6(2) . . . . ?
B3D C2D B6D C1D 31.6(2) . . . . ?
C1D C2D B6D B10D -97.7(2) . . . . ?
B7D C2D B6D B10D 4.4(3) . . . . ?
B11D C2D B6D B10D 40.8(2) . . . . ?
B3D C2D B6D B10D -66.1(3) . . . . ?
C1D C2D B6D B5D -35.66(18) . . . . ?
B7D C2D B6D B5D 66.5(3) . . . . ?
B11D C2D B6D B5D 102.9(2) . . . . ?
B3D C2D B6D B5D -4.1(3) . . . . ?
C1D C2D B6D B11D -138.6(2) . . . . ?
B7D C2D B6D B11D -36.4(2) . . . . ?
B3D C2D B6D B11D -107.0(2) . . . . ?
B10D B5D B6D C1D -132.8(2) . . . . ?
B9D B5D B6D C1D -95.6(2) . . . . ?
B4D B5D B6D C1D -32.15(19) . . . . ?
C1D B5D B6D C2D 34.91(17) . . . . ?
B10D B5D B6D C2D -97.8(2) . . . . ?
B9D B5D B6D C2D -60.7(2) . . . . ?
B4D B5D B6D C2D 2.8(3) . . . . ?
C1D B5D B6D B10D 132.8(2) . . . . ?
B9D B5D B6D B10D 37.12(19) . . . . ?
B4D B5D B6D B10D 100.6(2) . . . . ?
C1D B5D B6D B11D 95.1(2) . . . . ?
B10D B5D B6D B11D -37.70(19) . . . . ?
B9D B5D B6D B11D -0.6(3) . . . . ?
B4D B5D B6D B11D 62.9(2) . . . . ?
C1D C2D B7D B12D 63.7(3) . . . . ?
B11D C2D B7D B12D -40.2(2) . . . . ?
B3D C2D B7D B12D 103.2(2) . . . . ?
B6D C2D B7D B12D -4.2(3) . . . . ?
C1D C2D B7D B3D -39.50(19) . . . . ?
B11D C2D B7D B3D -143.4(2) . . . . ?
B6D C2D B7D B3D -107.4(2) . . . . ?
C1D C2D B7D B8D 1.0(3) . . . . ?
B11D C2D B7D B8D -102.9(2) . . . . ?
B3D C2D B7D B8D 40.53(18) . . . . ?
B6D C2D B7D B8D -66.8(3) . . . . ?
C1D C2D B7D B11D 103.9(2) . . . . ?
B3D C2D B7D B11D 143.4(2) . . . . ?
B6D C2D B7D B11D 36.1(2) . . . . ?
N1D B3D B7D C2D -107.2(3) . . . . ?
C1D B3D B7D C2D 34.63(17) . . . . ?
B8D B3D B7D C2D 132.8(2) . . . . ?
B4D B3D B7D C2D 94.2(2) . . . . ?
N1D B3D B7D B12D 156.9(2) . . . . ?
C2D B3D B7D B12D -95.9(2) . . . . ?
C1D B3D B7D B12D -61.3(3) . . . . ?
B8D B3D B7D B12D 36.9(2) . . . . ?
B4D B3D B7D B12D -1.7(3) . . . . ?
N1D B3D B7D B8D 120.0(3) . . . . ?
C2D B3D B7D B8D -132.8(2) . . . . ?
C1D B3D B7D B8D -98.2(2) . . . . ?
B4D B3D B7D B8D -38.6(2) . . . . ?
N1D B3D B7D B11D -139.6(2) . . . . ?
C2D B3D B7D B11D -32.41(19) . . . . ?
C1D B3D B7D B11D 2.2(3) . . . . ?
B8D B3D B7D B11D 100.4(2) . . . . ?
B4D B3D B7D B11D 61.8(3) . . . . ?
N1D B3D B8D B4D 112.1(3) . . . . ?
C2D B3D B8D B4D -97.3(2) . . . . ?
C1D B3D B8D B4D -39.40(19) . . . . ?
B7D B3D B8D B4D -137.0(2) . . . . ?
N1D B3D B8D B7D -111.0(3) . . . . ?
C2D B3D B8D B7D 39.67(18) . . . . ?
C1D B3D B8D B7D 97.6(2) . . . . ?
B4D B3D B8D B7D 137.0(2) . . . . ?
N1D B3D B8D B9D 149.2(3) . . . . ?
C2D B3D B8D B9D -60.1(3) . . . . ?
C1D B3D B8D B9D -2.2(3) . . . . ?
B4D B3D B8D B9D 37.2(2) . . . . ?
B7D B3D B8D B9D -99.8(2) . . . . ?
N1D B3D B8D B12D -147.4(3) . . . . ?
C2D B3D B8D B12D 3.2(3) . . . . ?
C1D B3D B8D B12D 61.1(2) . . . . ?
B4D B3D B8D B12D 100.5(2) . . . . ?
B7D B3D B8D B12D -36.4(2) . . . . ?
C1D B4D B8D B3D 41.14(19) . . . . ?
B9D B4D B8D B3D 138.7(2) . . . . ?
B5D B4D B8D B3D 101.9(2) . . . . ?
C1D B4D B8D B7D 2.6(3) . . . . ?
B3D B4D B8D B7D -38.53(19) . . . . ?
B9D B4D B8D B7D 100.2(2) . . . . ?
B5D B4D B8D B7D 63.4(2) . . . . ?
C1D B4D B8D B9D -97.6(2) . . . . ?
B3D B4D B8D B9D -138.7(2) . . . . ?
B5D B4D B8D B9D -36.8(2) . . . . ?
C1D B4D B8D B12D -60.1(2) . . . . ?
B3D B4D B8D B12D -101.3(2) . . . . ?
B9D B4D B8D B12D 37.4(2) . . . . ?
B5D B4D B8D B12D 0.7(3) . . . . ?
C2D B7D B8D B3D -40.71(18) . . . . ?
B12D B7D B8D B3D -139.1(2) . . . . ?
B11D B7D B8D B3D -101.6(2) . . . . ?
C2D B7D B8D B4D -2.2(3) . . . . ?
B12D B7D B8D B4D -100.6(2) . . . . ?
B3D B7D B8D B4D 38.47(19) . . . . ?
B11D B7D B8D B4D -63.1(3) . . . . ?
C2D B7D B8D B9D 61.3(2) . . . . ?
B12D B7D B8D B9D -37.1(2) . . . . ?
B3D B7D B8D B9D 102.0(2) . . . . ?
B11D B7D B8D B9D 0.4(3) . . . . ?
C2D B7D B8D B12D 98.4(2) . . . . ?
B3D B7D B8D B12D 139.1(2) . . . . ?
B11D B7D B8D B12D 37.5(2) . . . . ?
C1D B5D B9D B10D -99.0(2) . . . . ?
B6D B5D B9D B10D -37.02(19) . . . . ?
B4D B5D B9D B10D -138.3(2) . . . . ?
C1D B5D B9D B12D -61.6(3) . . . . ?
B6D B5D B9D B12D 0.4(3) . . . . ?
B10D B5D B9D B12D 37.4(2) . . . . ?
B4D B5D B9D B12D -100.9(2) . . . . ?
C1D B5D B9D B8D 2.3(3) . . . . ?
B6D B5D B9D B8D 64.3(3) . . . . ?
B10D B5D B9D B8D 101.3(2) . . . . ?
B4D B5D B9D B8D -37.0(2) . . . . ?
C1D B5D B9D B4D 39.2(2) . . . . ?
B6D B5D B9D B4D 101.2(2) . . . . ?
B10D B5D B9D B4D 138.3(2) . . . . ?
B3D B8D B9D B10D 63.5(3) . . . . ?
B4D B8D B9D B10D 100.6(2) . . . . ?
B7D B8D B9D B10D -0.3(3) . . . . ?
B12D B8D B9D B10D -37.3(2) . . . . ?
B3D B8D B9D B12D 100.8(2) . . . . ?
B4D B8D B9D B12D 137.9(2) . . . . ?
B7D B8D B9D B12D 37.0(2) . . . . ?
B3D B8D B9D B5D 0.0(3) . . . . ?
B4D B8D B9D B5D 37.2(2) . . . . ?
B7D B8D B9D B5D -63.8(3) . . . . ?
B12D B8D B9D B5D -100.7(2) . . . . ?
B3D B8D B9D B4D -37.2(2) . . . . ?
B7D B8D B9D B4D -101.0(2) . . . . ?
B12D B8D B9D B4D -137.9(2) . . . . ?
C1D B4D B9D B10D -2.1(3) . . . . ?
B3D B4D B9D B10D -64.9(3) . . . . ?
B8D B4D B9D B10D -101.4(2) . . . . ?
B5D B4D B9D B10D 37.3(2) . . . . ?
C1D B4D B9D B12D 61.5(3) . . . . ?
B3D B4D B9D B12D -1.2(3) . . . . ?
B8D B4D B9D B12D -37.7(2) . . . . ?
B5D B4D B9D B12D 101.0(2) . . . . ?
C1D B4D B9D B5D -39.42(19) . . . . ?
B3D B4D B9D B5D -102.1(2) . . . . ?
B8D B4D B9D B5D -138.7(2) . . . . ?
C1D B4D B9D B8D 99.3(2) . . . . ?
B3D B4D B9D B8D 36.6(2) . . . . ?
B5D B4D B9D B8D 138.7(2) . . . . ?
C1D B6D B10D B5D 39.89(19) . . . . ?
C2D B6D B10D B5D 98.1(2) . . . . ?
B11D B6D B10D B5D 137.8(2) . . . . ?
C1D B6D B10D B11D -97.9(2) . . . . ?
C2D B6D B10D B11D -39.73(19) . . . . ?
B5D B6D B10D B11D -137.8(2) . . . . ?
C1D B6D B10D B9D 2.7(3) . . . . ?
C2D B6D B10D B9D 60.8(3) . . . . ?
B5D B6D B10D B9D -37.2(2) . . . . ?
B11D B6D B10D B9D 100.6(2) . . . . ?
C1D B6D B10D B12D -60.9(3) . . . . ?
C2D B6D B10D B12D -2.7(3) . . . . ?
B5D B6D B10D B12D -100.8(2) . . . . ?
B11D B6D B10D B12D 37.0(2) . . . . ?
C1D B5D B10D B6D -40.83(19) . . . . ?
B9D B5D B10D B6D -138.5(2) . . . . ?
B4D B5D B10D B6D -101.2(2) . . . . ?
C1D B5D B10D B11D -2.9(3) . . . . ?
B6D B5D B10D B11D 37.9(2) . . . . ?
B9D B5D B10D B11D -100.6(2) . . . . ?
B4D B5D B10D B11D -63.3(3) . . . . ?
C1D B5D B10D B9D 97.7(2) . . . . ?
B6D B5D B10D B9D 138.5(2) . . . . ?
B4D B5D B10D B9D 37.3(2) . . . . ?
C1D B5D B10D B12D 60.4(3) . . . . ?
B6D B5D B10D B12D 101.2(2) . . . . ?
B9D B5D B10D B12D -37.3(2) . . . . ?
B4D B5D B10D B12D 0.0(3) . . . . ?
B12D B9D B10D B6D -101.1(2) . . . . ?
B5D B9D B10D B6D 37.16(19) . . . . ?
B8D B9D B10D B6D -63.8(3) . . . . ?
B4D B9D B10D B6D -0.4(3) . . . . ?
B12D B9D B10D B5D -138.3(2) . . . . ?
B8D B9D B10D B5D -100.9(2) . . . . ?
B4D B9D B10D B5D -37.5(2) . . . . ?
B12D B9D B10D B11D -37.2(2) . . . . ?
B5D B9D B10D B11D 101.1(2) . . . . ?
B8D B9D B10D B11D 0.1(3) . . . . ?
B4D B9D B10D B11D 63.5(3) . . . . ?
B5D B9D B10D B12D 138.3(2) . . . . ?
B8D B9D B10D B12D 37.4(2) . . . . ?
B4D B9D B10D B12D 100.8(2) . . . . ?
C1D C2D B11D B10D -2.2(3) . . . . ?
B7D C2D B11D B10D 102.4(2) . . . . ?
B3D C2D B11D B10D 66.4(3) . . . . ?
B6D C2D B11D B10D -40.8(2) . . . . ?
C1D C2D B11D B12D -64.6(3) . . . . ?
B7D C2D B11D B12D 40.0(2) . . . . ?
B3D C2D B11D B12D 4.0(3) . . . . ?
B6D C2D B11D B12D -103.3(2) . . . . ?
C1D C2D B11D B6D 38.7(2) . . . . ?
B7D C2D B11D B6D 143.3(2) . . . . ?
B3D C2D B11D B6D 107.3(2) . . . . ?
C1D C2D B11D B7D -104.6(2) . . . . ?
B3D C2D B11D B7D -36.0(2) . . . . ?
B6D C2D B11D B7D -143.3(2) . . . . ?
B6D B10D B11D C2D 40.83(19) . . . . ?
B5D B10D B11D C2D 3.1(3) . . . . ?
B9D B10D B11D C2D -60.5(3) . . . . ?
B12D B10D B11D C2D -97.8(2) . . . . ?
B6D B10D B11D B12D 138.6(2) . . . . ?
B5D B10D B11D B12D 100.9(2) . . . . ?
B9D B10D B11D B12D 37.3(2) . . . . ?
B5D B10D B11D B6D -37.7(2) . . . . ?
B9D B10D B11D B6D -101.3(2) . . . . ?
B12D B10D B11D B6D -138.6(2) . . . . ?
B6D B10D B11D B7D 101.4(2) . . . . ?
B5D B10D B11D B7D 63.7(3) . . . . ?
B9D B10D B11D B7D 0.1(3) . . . . ?
B12D B10D B11D B7D -37.2(2) . . . . ?
C1D B6D B11D C2D -34.54(18) . . . . ?
B10D B6D B11D C2D -132.7(2) . . . . ?
B5D B6D B11D C2D -94.9(2) . . . . ?
C1D B6D B11D B10D 98.2(2) . . . . ?
C2D B6D B11D B10D 132.7(2) . . . . ?
B5D B6D B11D B10D 37.8(2) . . . . ?
C1D B6D B11D B12D 61.0(2) . . . . ?
C2D B6D B11D B12D 95.5(2) . . . . ?
B10D B6D B11D B12D -37.2(2) . . . . ?
B5D B6D B11D B12D 0.6(3) . . . . ?
C1D B6D B11D B7D -2.2(3) . . . . ?
C2D B6D B11D B7D 32.38(19) . . . . ?
B10D B6D B11D B7D -100.3(2) . . . . ?
B5D B6D B11D B7D -62.6(3) . . . . ?
B12D B7D B11D C2D 133.6(2) . . . . ?
B3D B7D B11D C2D 32.9(2) . . . . ?
B8D B7D B11D C2D 95.7(2) . . . . ?
C2D B7D B11D B10D -96.0(2) . . . . ?
B12D B7D B11D B10D 37.5(2) . . . . ?
B3D B7D B11D B10D -63.2(3) . . . . ?
B8D B7D B11D B10D -0.3(3) . . . . ?
C2D B7D B11D B12D -133.6(2) . . . . ?
B3D B7D B11D B12D -100.7(2) . . . . ?
B8D B7D B11D B12D -37.8(2) . . . . ?
C2D B7D B11D B6D -32.95(19) . . . . ?
B12D B7D B11D B6D 100.6(2) . . . . ?
B3D B7D B11D B6D -0.1(3) . . . . ?
B8D B7D B11D B6D 62.8(3) . . . . ?
C2D B7D B12D B11D 39.5(2) . . . . ?
B3D B7D B12D B11D 101.7(2) . . . . ?
B8D B7D B12D B11D 138.0(2) . . . . ?
C2D B7D B12D B9D -61.2(3) . . . . ?
B3D B7D B12D B9D 1.0(3) . . . . ?
B8D B7D B12D B9D 37.3(2) . . . . ?
B11D B7D B12D B9D -100.7(2) . . . . ?
C2D B7D B12D B10D 2.1(3) . . . . ?
B3D B7D B12D B10D 64.3(3) . . . . ?
B8D B7D B12D B10D 100.7(2) . . . . ?
B11D B7D B12D B10D -37.4(2) . . . . ?
C2D B7D B12D B8D -98.5(2) . . . . ?
B3D B7D B12D B8D -36.4(2) . . . . ?
B11D B7D B12D B8D -138.0(2) . . . . ?
C2D B11D B12D B7D -39.28(19) . . . . ?
B10D B11D B12D B7D -138.2(2) . . . . ?
B6D B11D B12D B7D -101.3(2) . . . . ?
C2D B11D B12D B9D 61.7(2) . . . . ?
B10D B11D B12D B9D -37.22(19) . . . . ?
B6D B11D B12D B9D -0.3(3) . . . . ?
B7D B11D B12D B9D 101.0(2) . . . . ?
C2D B11D B12D B10D 98.9(2) . . . . ?
B6D B11D B12D B10D 36.88(19) . . . . ?
B7D B11D B12D B10D 138.2(2) . . . . ?
C2D B11D B12D B8D -1.6(3) . . . . ?
B10D B11D B12D B8D -100.6(2) . . . . ?
B6D B11D B12D B8D -63.7(3) . . . . ?
B7D B11D B12D B8D 37.6(2) . . . . ?
B10D B9D B12D B7D 101.2(2) . . . . ?
B5D B9D B12D B7D 64.0(3) . . . . ?
B8D B9D B12D B7D -37.4(2) . . . . ?
B4D B9D B12D B7D 0.1(3) . . . . ?
B10D B9D B12D B11D 37.20(19) . . . . ?
B5D B9D B12D B11D 0.0(3) . . . . ?
B8D B9D B12D B11D -101.4(2) . . . . ?
B4D B9D B12D B11D -63.9(3) . . . . ?
B5D B9D B12D B10D -37.2(2) . . . . ?
B8D B9D B12D B10D -138.6(2) . . . . ?
B4D B9D B12D B10D -101.1(2) . . . . ?
B10D B9D B12D B8D 138.6(2) . . . . ?
B5D B9D B12D B8D 101.3(2) . . . . ?
B4D B9D B12D B8D 37.5(2) . . . . ?
B6D B10D B12D B7D 0.4(3) . . . . ?
B5D B10D B12D B7D -63.1(3) . . . . ?
B11D B10D B12D B7D 37.7(2) . . . . ?
B9D B10D B12D B7D -100.5(2) . . . . ?
B6D B10D B12D B11D -37.3(2) . . . . ?
B5D B10D B12D B11D -100.8(2) . . . . ?
B9D B10D B12D B11D -138.2(2) . . . . ?
B6D B10D B12D B9D 100.9(2) . . . . ?
B5D B10D B12D B9D 37.4(2) . . . . ?
B11D B10D B12D B9D 138.2(2) . . . . ?
B6D B10D B12D B8D 63.9(3) . . . . ?
B5D B10D B12D B8D 0.4(3) . . . . ?
B11D B10D B12D B8D 101.2(2) . . . . ?
B9D B10D B12D B8D -37.0(2) . . . . ?
B3D B8D B12D B7D 36.8(2) . . . . ?
B4D B8D B12D B7D 100.5(2) . . . . ?
B9D B8D B12D B7D 138.2(2) . . . . ?
B3D B8D B12D B11D -1.0(3) . . . . ?
B4D B8D B12D B11D 62.7(3) . . . . ?
B7D B8D B12D B11D -37.9(2) . . . . ?
B9D B8D B12D B11D 100.3(2) . . . . ?
B3D B8D B12D B9D -101.4(2) . . . . ?
B4D B8D B12D B9D -37.6(2) . . . . ?
B7D B8D B12D B9D -138.2(2) . . . . ?
B3D B8D B12D B10D -64.4(3) . . . . ?
B4D B8D B12D B10D -0.7(3) . . . . ?
B7D B8D B12D B10D -101.2(2) . . . . ?
B9D B8D B12D B10D 37.0(2) . . . . ?
N1D N2D C3D C8D 177.8(2) . . . . ?
N1D N2D C3D C4D -1.2(4) . . . . ?
C8D C3D C4D C5D -0.7(4) . . . . ?
N2D C3D C4D C5D 178.2(2) . . . . ?
C3D C4D C5D C6D -0.4(4) . . . . ?
C9D N3D C6D C7D -4.5(4) . . . . ?
C10D N3D C6D C7D 175.0(2) . . . . ?
C9D N3D C6D C5D 175.4(2) . . . . ?
C10D N3D C6D C5D -5.1(3) . . . . ?
C4D C5D C6D N3D -178.5(2) . . . . ?
C4D C5D C6D C7D 1.5(4) . . . . ?
N3D C6D C7D C8D 178.6(2) . . . . ?
C5D C6D C7D C8D -1.4(3) . . . . ?
C6D C7D C8D C3D 0.3(4) . . . . ?
C4D C3D C8D C7D 0.8(4) . . . . ?
N2D C3D C8D C7D -178.2(2) . . . . ?

_refine_diff_density_max         0.323
_refine_diff_density_min         -0.238
_refine_diff_density_rms         0.052

_shelxl_version_number           2014/6

####################################################################### 
# 
# 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_siv9
_database_code_depnum_ccdc_archive 'CCDC 1995639'
loop_
_audit_author_name
_audit_author_address
'Kyrill Yu. Suponitsky'
;A N Nesmeyanov Institute of Organoelement Compounds, Moscow
Russia
;
_audit_update_record             
;
2020-04-08 deposited with the CCDC.	2020-06-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C9 H18 B10 N2 O'
_chemical_formula_sum            'C9 H18 B10 N2 O'
_chemical_formula_weight         278.35

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

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

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

_cell_length_a                   12.3986(17)
_cell_length_b                   19.258(3)
_cell_length_c                   6.6169(9)
_cell_angle_alpha                90
_cell_angle_beta                 99.327(3)
_cell_angle_gamma                90
_cell_volume                     1559.1(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    1704
_cell_measurement_theta_min      3.29
_cell_measurement_theta_max      25.93

_exptl_crystal_description       plate
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.186
_exptl_crystal_F_000             576
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.06
_exptl_absorpt_coefficient_mu    0.065
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            11121
_diffrn_reflns_av_unetI/netI     0.0722
_diffrn_reflns_av_R_equivalents  0.0827
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_theta_min         1.972
_diffrn_reflns_theta_max         25.976
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measured_fraction_theta_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.970
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.970
_diffrn_reflns_point_group_measured_fraction_full 0.976
_reflns_number_total             2963
_reflns_number_gt                1868
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'APEX (Bruker, 2014)'
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_structure_solution    'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_publication_material  
'SHELXL-2014/6 (Sheldrick, 2014) and PLATON (Spek, 2015)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0699P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         2963
_refine_ls_number_parameters     244
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0968
_refine_ls_R_factor_gt           0.0522
_refine_ls_wR_factor_ref         0.1373
_refine_ls_wR_factor_gt          0.1190
_refine_ls_goodness_of_fit_ref   0.989
_refine_ls_restrained_S_all      0.989
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.13237(11) 0.16184(8) 0.6747(2) 0.0282(4) Uani 1 1 d . . . . .
N1 N 0.53784(14) 0.10203(9) 0.2537(3) 0.0271(5) Uani 1 1 d . . . . .
N2 N 0.53565(14) 0.13887(9) 0.4108(3) 0.0245(4) Uani 1 1 d . . . . .
C1 C 0.75564(17) 0.14883(12) 0.3078(3) 0.0244(5) Uani 1 1 d . . . . .
C2 C 0.75891(17) 0.06602(12) 0.3527(3) 0.0254(5) Uani 1 1 d . . . . .
B3 B 0.6473(2) 0.09838(13) 0.1889(4) 0.0230(6) Uani 1 1 d . . . . .
B4 B 0.7048(2) 0.16621(14) 0.0589(4) 0.0258(6) Uani 1 1 d . . . . .
B5 B 0.8478(2) 0.17283(14) 0.1578(4) 0.0277(6) Uani 1 1 d . . . . .
B6 B 0.8811(2) 0.10885(14) 0.3527(4) 0.0281(6) Uani 1 1 d . . . . .
B7 B 0.7116(2) 0.01907(14) 0.1379(4) 0.0255(6) Uani 1 1 d . . . . .
B8 B 0.6792(2) 0.08276(14) -0.0571(4) 0.0250(6) Uani 1 1 d . . . . .
B9 B 0.8025(2) 0.12874(15) -0.0768(4) 0.0286(6) Uani 1 1 d . . . . .
B10 B 0.9106(2) 0.09312(14) 0.1046(4) 0.0270(6) Uani 1 1 d . . . . .
B11 B 0.8548(2) 0.02535(15) 0.2387(4) 0.0272(6) Uani 1 1 d . . . . .
B12 B 0.8074(2) 0.03822(14) -0.0274(4) 0.0275(6) Uani 1 1 d . . . . .
C3 C 0.43056(16) 0.14316(11) 0.4743(3) 0.0216(5) Uani 1 1 d . . . . .
C4 C 0.42562(17) 0.18219(11) 0.6489(3) 0.0253(5) Uani 1 1 d . . . . .
H4A H 0.4900 0.2038 0.7183 0.030 Uiso 1 1 calc R U . . .
C5 C 0.32742(17) 0.19013(11) 0.7242(3) 0.0239(5) Uani 1 1 d . . . . .
H5A H 0.3242 0.2170 0.8434 0.029 Uiso 1 1 calc R U . . .
C6 C 0.23431(16) 0.15771(11) 0.6203(3) 0.0218(5) Uani 1 1 d . . . . .
C7 C 0.23856(17) 0.11841(11) 0.4428(3) 0.0244(5) Uani 1 1 d . . . . .
H7A H 0.1742 0.0970 0.3726 0.029 Uiso 1 1 calc R U . . .
C8 C 0.33606(17) 0.11102(11) 0.3708(3) 0.0243(5) Uani 1 1 d . . . . .
H8A H 0.3393 0.0842 0.2514 0.029 Uiso 1 1 calc R U . . .
C9 C 0.12112(18) 0.20142(13) 0.8532(3) 0.0324(6) Uani 1 1 d . . . . .
H9A H 0.0451 0.1995 0.8762 0.049 Uiso 1 1 calc R U . . .
H9B H 0.1417 0.2498 0.8334 0.049 Uiso 1 1 calc R U . . .
H9C H 0.1689 0.1820 0.9723 0.049 Uiso 1 1 calc R U . . .
H1 H 0.7381(19) 0.1790(13) 0.419(4) 0.041(7) Uiso 1 1 d . . . . .
H2 H 0.7465(17) 0.0534(12) 0.486(3) 0.035(6) Uiso 1 1 d . . . . .
H4 H 0.6551(17) 0.2114(13) 0.023(3) 0.034(6) Uiso 1 1 d . . . . .
H5 H 0.8883(17) 0.2228(12) 0.183(3) 0.034(6) Uiso 1 1 d . . . . .
H6 H 0.9336(18) 0.1181(12) 0.500(4) 0.038(6) Uiso 1 1 d . . . . .
H7 H 0.6651(17) -0.0295(12) 0.155(3) 0.033(6) Uiso 1 1 d . . . . .
H8 H 0.6145(17) 0.0714(12) -0.186(3) 0.033(6) Uiso 1 1 d . . . . .
H9 H 0.8189(19) 0.1513(13) -0.223(4) 0.042(7) Uiso 1 1 d . . . . .
H10 H 0.9980(18) 0.0907(11) 0.092(3) 0.035(6) Uiso 1 1 d . . . . .
H11 H 0.8973(17) -0.0173(13) 0.315(3) 0.035(6) Uiso 1 1 d . . . . .
H12 H 0.8249(17) -0.0013(12) -0.138(3) 0.033(6) Uiso 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
O1 C6 1.371(2) . ?
O1 C9 1.432(2) . ?
N1 N2 1.262(2) . ?
N1 B3 1.490(3) . ?
N2 C3 1.435(2) . ?
C1 C2 1.622(3) . ?
C1 B5 1.694(3) . ?
C1 B4 1.699(3) . ?
C1 B6 1.718(3) . ?
C1 B3 1.739(3) . ?
C1 H1 0.99(2) . ?
C2 B11 1.699(3) . ?
C2 B7 1.706(3) . ?
C2 B6 1.725(3) . ?
C2 B3 1.729(3) . ?
C2 H2 0.95(2) . ?
B3 B8 1.762(3) . ?
B3 B4 1.776(3) . ?
B3 B7 1.780(3) . ?
B4 B9 1.774(3) . ?
B4 B8 1.787(4) . ?
B4 B5 1.792(4) . ?
B4 H4 1.07(2) . ?
B5 B9 1.779(4) . ?
B5 B10 1.782(4) . ?
B5 B6 1.783(4) . ?
B5 H5 1.09(2) . ?
B6 B10 1.765(3) . ?
B6 B11 1.784(4) . ?
B6 H6 1.10(2) . ?
B7 B8 1.778(4) . ?
B7 B12 1.779(3) . ?
B7 B11 1.796(4) . ?
B7 H7 1.11(2) . ?
B8 B12 1.789(4) . ?
B8 B9 1.789(4) . ?
B8 H8 1.09(2) . ?
B9 B12 1.773(4) . ?
B9 B10 1.785(4) . ?
B9 H9 1.11(2) . ?
B10 B12 1.776(4) . ?
B10 B11 1.780(4) . ?
B10 H10 1.10(2) . ?
B11 B12 1.781(4) . ?
B11 H11 1.06(2) . ?
B12 H12 1.10(2) . ?
C3 C4 1.388(3) . ?
C3 C8 1.402(3) . ?
C4 C5 1.396(3) . ?
C4 H4A 0.9500 . ?
C5 C6 1.392(3) . ?
C5 H5A 0.9500 . ?
C6 C7 1.405(3) . ?
C7 C8 1.377(3) . ?
C7 H7A 0.9500 . ?
C8 H8A 0.9500 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 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
C6 O1 C9 117.69(16) . . ?
N2 N1 B3 113.92(18) . . ?
N1 N2 C3 114.53(18) . . ?
C2 C1 B5 112.11(17) . . ?
C2 C1 B4 111.46(17) . . ?
B5 C1 B4 63.76(14) . . ?
C2 C1 B6 62.13(14) . . ?
B5 C1 B6 62.99(15) . . ?
B4 C1 B6 116.06(16) . . ?
C2 C1 B3 61.83(14) . . ?
B5 C1 B3 115.60(17) . . ?
B4 C1 B3 62.19(14) . . ?
B6 C1 B3 116.05(18) . . ?
C2 C1 H1 116.4(14) . . ?
B5 C1 H1 121.7(14) . . ?
B4 C1 H1 120.8(14) . . ?
B6 C1 H1 115.9(14) . . ?
B3 C1 H1 114.7(14) . . ?
C1 C2 B11 111.75(16) . . ?
C1 C2 B7 111.93(17) . . ?
B11 C2 B7 63.68(14) . . ?
C1 C2 B6 61.68(14) . . ?
B11 C2 B6 62.78(14) . . ?
B7 C2 B6 115.89(16) . . ?
C1 C2 B3 62.42(14) . . ?
B11 C2 B3 115.72(17) . . ?
B7 C2 B3 62.41(14) . . ?
B6 C2 B3 116.16(17) . . ?
C1 C2 H2 114.7(14) . . ?
B11 C2 H2 121.6(14) . . ?
B7 C2 H2 123.4(14) . . ?
B6 C2 H2 113.4(13) . . ?
B3 C2 H2 116.1(13) . . ?
N1 B3 C2 120.68(17) . . ?
N1 B3 C1 121.09(17) . . ?
C2 B3 C1 55.75(13) . . ?
N1 B3 B8 128.7(2) . . ?
C2 B3 B8 103.95(17) . . ?
C1 B3 B8 103.94(16) . . ?
N1 B3 B4 124.08(19) . . ?
C2 B3 B4 103.06(17) . . ?
C1 B3 B4 57.81(14) . . ?
B8 B3 B4 60.67(14) . . ?
N1 B3 B7 123.48(19) . . ?
C2 B3 B7 58.16(14) . . ?
C1 B3 B7 103.22(17) . . ?
B8 B3 B7 60.27(14) . . ?
B4 B3 B7 108.20(16) . . ?
C1 B4 B9 103.53(18) . . ?
C1 B4 B3 60.00(14) . . ?
B9 B4 B3 107.84(18) . . ?
C1 B4 B8 104.55(18) . . ?
B9 B4 B8 60.32(14) . . ?
B3 B4 B8 59.29(14) . . ?
C1 B4 B5 58.00(14) . . ?
B9 B4 B5 59.84(14) . . ?
B3 B4 B5 109.02(19) . . ?
B8 B4 B5 108.48(18) . . ?
C1 B4 H4 119.2(12) . . ?
B9 B4 H4 129.2(11) . . ?
B3 B4 H4 116.5(11) . . ?
B8 B4 H4 125.4(13) . . ?
B5 B4 H4 121.5(12) . . ?
C1 B5 B9 103.50(18) . . ?
C1 B5 B10 103.80(18) . . ?
B9 B5 B10 60.18(15) . . ?
C1 B5 B6 59.15(13) . . ?
B9 B5 B6 107.75(19) . . ?
B10 B5 B6 59.35(14) . . ?
C1 B5 B4 58.24(13) . . ?
B9 B5 B4 59.56(14) . . ?
B10 B5 B4 107.74(19) . . ?
B6 B5 B4 108.35(17) . . ?
C1 B5 H5 119.5(10) . . ?
B9 B5 H5 128.9(11) . . ?
B10 B5 H5 126.0(11) . . ?
B6 B5 H5 117.1(12) . . ?
B4 B5 H5 121.6(12) . . ?
C1 B6 C2 56.19(13) . . ?
C1 B6 B10 103.56(18) . . ?
C2 B6 B10 103.43(18) . . ?
C1 B6 B5 57.86(14) . . ?
C2 B6 B5 103.28(18) . . ?
B10 B6 B5 60.31(15) . . ?
C1 B6 B11 103.43(18) . . ?
C2 B6 B11 57.89(13) . . ?
B10 B6 B11 60.21(14) . . ?
B5 B6 B11 108.18(19) . . ?
C1 B6 H6 118.1(11) . . ?
C2 B6 H6 118.2(11) . . ?
B10 B6 H6 132.4(11) . . ?
B5 B6 H6 124.5(12) . . ?
B11 B6 H6 124.4(12) . . ?
C2 B7 B8 104.23(18) . . ?
C2 B7 B12 103.21(17) . . ?
B8 B7 B12 60.37(14) . . ?
C2 B7 B3 59.43(14) . . ?
B8 B7 B3 59.37(14) . . ?
B12 B7 B3 107.62(18) . . ?
C2 B7 B11 57.96(14) . . ?
B8 B7 B11 108.43(18) . . ?
B12 B7 B11 59.73(14) . . ?
B3 B7 B11 108.52(19) . . ?
C2 B7 H7 118.3(11) . . ?
B8 B7 H7 126.3(12) . . ?
B12 B7 H7 130.1(11) . . ?
B3 B7 H7 116.5(11) . . ?
B11 B7 H7 121.0(12) . . ?
B3 B8 B7 60.36(14) . . ?
B3 B8 B4 60.04(13) . . ?
B7 B8 B4 107.77(18) . . ?
B3 B8 B12 107.97(18) . . ?
B7 B8 B12 59.83(14) . . ?
B4 B8 B12 106.94(18) . . ?
B3 B8 B9 107.75(18) . . ?
B7 B8 B9 107.41(18) . . ?
B4 B8 B9 59.47(14) . . ?
B12 B8 B9 59.41(15) . . ?
B3 B8 H8 120.5(10) . . ?
B7 B8 H8 118.6(12) . . ?
B4 B8 H8 124.8(12) . . ?
B12 B8 H8 121.2(11) . . ?
B9 B8 H8 124.8(11) . . ?
B12 B9 B4 108.23(17) . . ?
B12 B9 B5 108.16(19) . . ?
B4 B9 B5 60.59(14) . . ?
B12 B9 B10 59.89(15) . . ?
B4 B9 B10 108.43(17) . . ?
B5 B9 B10 60.01(15) . . ?
B12 B9 B8 60.29(15) . . ?
B4 B9 B8 60.21(14) . . ?
B5 B9 B8 108.98(16) . . ?
B10 B9 B8 108.55(18) . . ?
B12 B9 H9 122.7(12) . . ?
B4 B9 H9 121.3(12) . . ?
B5 B9 H9 119.9(13) . . ?
B10 B9 H9 120.8(12) . . ?
B8 B9 H9 122.5(12) . . ?
B6 B10 B12 108.55(17) . . ?
B6 B10 B11 60.41(14) . . ?
B12 B10 B11 60.09(15) . . ?
B6 B10 B5 60.34(15) . . ?
B12 B10 B5 107.86(18) . . ?
B11 B10 B5 108.37(16) . . ?
B6 B10 B9 108.25(17) . . ?
B12 B10 B9 59.71(15) . . ?
B11 B10 B9 107.85(18) . . ?
B5 B10 B9 59.81(15) . . ?
B6 B10 H10 115.6(12) . . ?
B12 B10 H10 125.2(12) . . ?
B11 B10 H10 118.2(12) . . ?
B5 B10 H10 121.3(12) . . ?
B9 B10 H10 127.4(11) . . ?
C2 B11 B10 103.89(18) . . ?
C2 B11 B12 103.45(18) . . ?
B10 B11 B12 59.84(15) . . ?
C2 B11 B6 59.33(14) . . ?
B10 B11 B6 59.37(15) . . ?
B12 B11 B6 107.52(19) . . ?
C2 B11 B7 58.36(13) . . ?
B10 B11 B7 107.76(19) . . ?
B12 B11 B7 59.65(14) . . ?
B6 B11 B7 108.65(18) . . ?
C2 B11 H11 118.4(11) . . ?
B10 B11 H11 127.1(11) . . ?
B12 B11 H11 129.7(12) . . ?
B6 B11 H11 117.0(12) . . ?
B7 B11 H11 120.7(12) . . ?
B9 B12 B10 60.40(15) . . ?
B9 B12 B7 108.10(17) . . ?
B10 B12 B7 108.71(17) . . ?
B9 B12 B11 108.38(19) . . ?
B10 B12 B11 60.07(15) . . ?
B7 B12 B11 60.62(14) . . ?
B9 B12 B8 60.30(15) . . ?
B10 B12 B8 108.97(18) . . ?
B7 B12 B8 59.80(14) . . ?
B11 B12 B8 108.68(16) . . ?
B9 B12 H12 124.0(11) . . ?
B10 B12 H12 122.3(11) . . ?
B7 B12 H12 119.3(11) . . ?
B11 B12 H12 119.6(12) . . ?
B8 B12 H12 121.6(12) . . ?
C4 C3 C8 119.96(18) . . ?
C4 C3 N2 116.08(19) . . ?
C8 C3 N2 123.95(18) . . ?
C3 C4 C5 121.0(2) . . ?
C3 C4 H4A 119.5 . . ?
C5 C4 H4A 119.5 . . ?
C6 C5 C4 118.42(19) . . ?
C6 C5 H5A 120.8 . . ?
C4 C5 H5A 120.8 . . ?
O1 C6 C5 124.75(18) . . ?
O1 C6 C7 114.31(18) . . ?
C5 C6 C7 120.92(18) . . ?
C8 C7 C6 119.9(2) . . ?
C8 C7 H7A 120.0 . . ?
C6 C7 H7A 120.0 . . ?
C7 C8 C3 119.8(2) . . ?
C7 C8 H8A 120.1 . . ?
C3 C8 H8A 120.1 . . ?
O1 C9 H9A 109.5 . . ?
O1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
O1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 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
B3 N1 N2 C3 179.67(18) . . . . ?
B5 C1 C2 B11 0.4(2) . . . . ?
B4 C1 C2 B11 69.8(2) . . . . ?
B6 C1 C2 B11 -39.26(17) . . . . ?
B3 C1 C2 B11 108.59(19) . . . . ?
B5 C1 C2 B7 -68.8(2) . . . . ?
B4 C1 C2 B7 0.5(2) . . . . ?
B6 C1 C2 B7 -108.53(18) . . . . ?
B3 C1 C2 B7 39.32(15) . . . . ?
B5 C1 C2 B6 39.71(18) . . . . ?
B4 C1 C2 B6 109.03(18) . . . . ?
B3 C1 C2 B6 147.85(16) . . . . ?
B5 C1 C2 B3 -108.14(19) . . . . ?
B4 C1 C2 B3 -38.82(16) . . . . ?
B6 C1 C2 B3 -147.85(16) . . . . ?
N2 N1 B3 C2 59.5(3) . . . . ?
N2 N1 B3 C1 -6.5(3) . . . . ?
N2 N1 B3 B8 -154.0(2) . . . . ?
N2 N1 B3 B4 -76.4(3) . . . . ?
N2 N1 B3 B7 129.5(2) . . . . ?
C1 C2 B3 N1 -108.8(2) . . . . ?
B11 C2 B3 N1 148.9(2) . . . . ?
B7 C2 B3 N1 112.7(2) . . . . ?
B6 C2 B3 N1 -140.3(2) . . . . ?
B11 C2 B3 C1 -102.26(19) . . . . ?
B7 C2 B3 C1 -138.45(16) . . . . ?
B6 C2 B3 C1 -31.46(16) . . . . ?
C1 C2 B3 B8 97.54(17) . . . . ?
B11 C2 B3 B8 -4.7(2) . . . . ?
B7 C2 B3 B8 -40.91(16) . . . . ?
B6 C2 B3 B8 66.1(2) . . . . ?
C1 C2 B3 B4 34.96(15) . . . . ?
B11 C2 B3 B4 -67.3(2) . . . . ?
B7 C2 B3 B4 -103.49(17) . . . . ?
B6 C2 B3 B4 3.5(2) . . . . ?
C1 C2 B3 B7 138.45(16) . . . . ?
B11 C2 B3 B7 36.19(18) . . . . ?
B6 C2 B3 B7 106.99(19) . . . . ?
C2 C1 B3 N1 108.1(2) . . . . ?
B5 C1 B3 N1 -149.4(2) . . . . ?
B4 C1 B3 N1 -113.2(2) . . . . ?
B6 C1 B3 N1 139.7(2) . . . . ?
B5 C1 B3 C2 102.5(2) . . . . ?
B4 C1 B3 C2 138.74(17) . . . . ?
B6 C1 B3 C2 31.57(16) . . . . ?
C2 C1 B3 B8 -97.56(18) . . . . ?
B5 C1 B3 B8 5.0(2) . . . . ?
B4 C1 B3 B8 41.18(17) . . . . ?
B6 C1 B3 B8 -66.0(2) . . . . ?
C2 C1 B3 B4 -138.74(17) . . . . ?
B5 C1 B3 B4 -36.21(18) . . . . ?
B6 C1 B3 B4 -107.16(19) . . . . ?
C2 C1 B3 B7 -35.37(15) . . . . ?
B5 C1 B3 B7 67.2(2) . . . . ?
B4 C1 B3 B7 103.37(17) . . . . ?
B6 C1 B3 B7 -3.8(2) . . . . ?
C2 C1 B4 B9 -64.3(2) . . . . ?
B5 C1 B4 B9 40.57(17) . . . . ?
B6 C1 B4 B9 4.1(2) . . . . ?
B3 C1 B4 B9 -103.00(19) . . . . ?
C2 C1 B4 B3 38.66(16) . . . . ?
B5 C1 B4 B3 143.56(18) . . . . ?
B6 C1 B4 B3 107.1(2) . . . . ?
C2 C1 B4 B8 -2.0(2) . . . . ?
B5 C1 B4 B8 102.94(18) . . . . ?
B6 C1 B4 B8 66.5(2) . . . . ?
B3 C1 B4 B8 -40.62(15) . . . . ?
C2 C1 B4 B5 -104.90(18) . . . . ?
B6 C1 B4 B5 -36.42(19) . . . . ?
B3 C1 B4 B5 -143.56(18) . . . . ?
N1 B3 B4 C1 108.1(2) . . . . ?
C2 B3 B4 C1 -34.03(15) . . . . ?
B8 B3 B4 C1 -132.86(18) . . . . ?
B7 B3 B4 C1 -94.45(19) . . . . ?
N1 B3 B4 B9 -156.3(2) . . . . ?
C2 B3 B4 B9 61.6(2) . . . . ?
C1 B3 B4 B9 95.62(19) . . . . ?
B8 B3 B4 B9 -37.24(18) . . . . ?
B7 B3 B4 B9 1.2(2) . . . . ?
N1 B3 B4 B8 -119.0(2) . . . . ?
C2 B3 B4 B8 98.83(18) . . . . ?
C1 B3 B4 B8 132.86(18) . . . . ?
B7 B3 B4 B8 38.42(17) . . . . ?
N1 B3 B4 B5 140.3(2) . . . . ?
C2 B3 B4 B5 -1.8(2) . . . . ?
C1 B3 B4 B5 32.19(16) . . . . ?
B8 B3 B4 B5 -100.67(19) . . . . ?
B7 B3 B4 B5 -62.3(2) . . . . ?
C2 C1 B5 B9 63.5(2) . . . . ?
B4 C1 B5 B9 -40.42(18) . . . . ?
B6 C1 B5 B9 102.8(2) . . . . ?
B3 C1 B5 B9 -4.8(2) . . . . ?
C2 C1 B5 B10 1.4(2) . . . . ?
B4 C1 B5 B10 -102.5(2) . . . . ?
B6 C1 B5 B10 40.69(17) . . . . ?
B3 C1 B5 B10 -66.9(2) . . . . ?
C2 C1 B5 B6 -39.34(18) . . . . ?
B4 C1 B5 B6 -143.23(19) . . . . ?
B3 C1 B5 B6 -107.6(2) . . . . ?
C2 C1 B5 B4 103.89(19) . . . . ?
B6 C1 B5 B4 143.23(19) . . . . ?
B3 C1 B5 B4 35.63(18) . . . . ?
B9 B4 B5 C1 -133.01(19) . . . . ?
B3 B4 B5 C1 -32.96(16) . . . . ?
B8 B4 B5 C1 -95.94(18) . . . . ?
C1 B4 B5 B9 133.01(19) . . . . ?
B3 B4 B5 B9 100.1(2) . . . . ?
B8 B4 B5 B9 37.07(17) . . . . ?
C1 B4 B5 B10 95.54(19) . . . . ?
B9 B4 B5 B10 -37.47(17) . . . . ?
B3 B4 B5 B10 62.6(2) . . . . ?
B8 B4 B5 B10 -0.4(2) . . . . ?
C1 B4 B5 B6 32.78(17) . . . . ?
B9 B4 B5 B6 -100.2(2) . . . . ?
B3 B4 B5 B6 -0.2(2) . . . . ?
B8 B4 B5 B6 -63.2(2) . . . . ?
B5 C1 B6 C2 -138.37(18) . . . . ?
B4 C1 B6 C2 -101.7(2) . . . . ?
B3 C1 B6 C2 -31.48(16) . . . . ?
C2 C1 B6 B10 97.25(19) . . . . ?
B5 C1 B6 B10 -41.12(17) . . . . ?
B4 C1 B6 B10 -4.4(3) . . . . ?
B3 C1 B6 B10 65.8(2) . . . . ?
C2 C1 B6 B5 138.37(18) . . . . ?
B4 C1 B6 B5 36.71(19) . . . . ?
B3 C1 B6 B5 106.90(19) . . . . ?
C2 C1 B6 B11 35.14(15) . . . . ?
B5 C1 B6 B11 -103.23(19) . . . . ?
B4 C1 B6 B11 -66.5(2) . . . . ?
B3 C1 B6 B11 3.7(2) . . . . ?
B11 C2 B6 C1 138.62(18) . . . . ?
B7 C2 B6 C1 102.1(2) . . . . ?
B3 C2 B6 C1 31.70(16) . . . . ?
C1 C2 B6 B10 -97.47(19) . . . . ?
B11 C2 B6 B10 41.15(17) . . . . ?
B7 C2 B6 B10 4.6(3) . . . . ?
B3 C2 B6 B10 -65.8(2) . . . . ?
C1 C2 B6 B5 -35.31(15) . . . . ?
B11 C2 B6 B5 103.32(19) . . . . ?
B7 C2 B6 B5 66.8(2) . . . . ?
B3 C2 B6 B5 -3.6(2) . . . . ?
C1 C2 B6 B11 -138.62(18) . . . . ?
B7 C2 B6 B11 -36.51(19) . . . . ?
B3 C2 B6 B11 -106.9(2) . . . . ?
B9 B5 B6 C1 -95.41(18) . . . . ?
B10 B5 B6 C1 -132.61(19) . . . . ?
B4 B5 B6 C1 -32.43(16) . . . . ?
C1 B5 B6 C2 34.55(15) . . . . ?
B9 B5 B6 C2 -60.9(2) . . . . ?
B10 B5 B6 C2 -98.06(19) . . . . ?
B4 B5 B6 C2 2.1(2) . . . . ?
C1 B5 B6 B10 132.61(19) . . . . ?
B9 B5 B6 B10 37.19(16) . . . . ?
B4 B5 B6 B10 100.2(2) . . . . ?
C1 B5 B6 B11 94.72(18) . . . . ?
B9 B5 B6 B11 -0.7(2) . . . . ?
B10 B5 B6 B11 -37.89(16) . . . . ?
B4 B5 B6 B11 62.3(2) . . . . ?
C1 C2 B7 B8 1.2(2) . . . . ?
B11 C2 B7 B8 -103.07(18) . . . . ?
B6 C2 B7 B8 -66.9(2) . . . . ?
B3 C2 B7 B8 40.52(15) . . . . ?
C1 C2 B7 B12 63.5(2) . . . . ?
B11 C2 B7 B12 -40.74(17) . . . . ?
B6 C2 B7 B12 -4.6(2) . . . . ?
B3 C2 B7 B12 102.86(18) . . . . ?
C1 C2 B7 B3 -39.32(16) . . . . ?
B11 C2 B7 B3 -143.59(18) . . . . ?
B6 C2 B7 B3 -107.4(2) . . . . ?
C1 C2 B7 B11 104.27(18) . . . . ?
B6 C2 B7 B11 36.17(19) . . . . ?
B3 C2 B7 B11 143.59(18) . . . . ?
N1 B3 B7 C2 -108.0(2) . . . . ?
C1 B3 B7 C2 34.28(14) . . . . ?
B8 B3 B7 C2 132.95(18) . . . . ?
B4 B3 B7 C2 94.35(19) . . . . ?
N1 B3 B7 B8 119.0(2) . . . . ?
C2 B3 B7 B8 -132.95(18) . . . . ?
C1 B3 B7 B8 -98.67(17) . . . . ?
B4 B3 B7 B8 -38.60(17) . . . . ?
N1 B3 B7 B12 156.8(2) . . . . ?
C2 B3 B7 B12 -95.22(19) . . . . ?
C1 B3 B7 B12 -60.9(2) . . . . ?
B8 B3 B7 B12 37.73(17) . . . . ?
B4 B3 B7 B12 -0.9(2) . . . . ?
N1 B3 B7 B11 -140.1(2) . . . . ?
C2 B3 B7 B11 -32.05(15) . . . . ?
C1 B3 B7 B11 2.2(2) . . . . ?
B8 B3 B7 B11 100.91(19) . . . . ?
B4 B3 B7 B11 62.3(2) . . . . ?
N1 B3 B8 B7 -110.9(3) . . . . ?
C2 B3 B8 B7 39.84(16) . . . . ?
C1 B3 B8 B7 97.45(18) . . . . ?
B4 B3 B8 B7 137.17(19) . . . . ?
N1 B3 B8 B4 111.9(3) . . . . ?
C2 B3 B8 B4 -97.33(18) . . . . ?
C1 B3 B8 B4 -39.73(16) . . . . ?
B7 B3 B8 B4 -137.17(19) . . . . ?
N1 B3 B8 B12 -148.5(2) . . . . ?
C2 B3 B8 B12 2.3(2) . . . . ?
C1 B3 B8 B12 59.9(2) . . . . ?
B4 B3 B8 B12 99.6(2) . . . . ?
B7 B3 B8 B12 -37.58(17) . . . . ?
N1 B3 B8 B9 148.8(2) . . . . ?
C2 B3 B8 B9 -60.5(2) . . . . ?
C1 B3 B8 B9 -2.9(2) . . . . ?
B4 B3 B8 B9 36.85(18) . . . . ?
B7 B3 B8 B9 -100.3(2) . . . . ?
C2 B7 B8 B3 -40.55(15) . . . . ?
B12 B7 B8 B3 -137.86(19) . . . . ?
B11 B7 B8 B3 -101.05(19) . . . . ?
C2 B7 B8 B4 -2.3(2) . . . . ?
B12 B7 B8 B4 -99.65(19) . . . . ?
B3 B7 B8 B4 38.20(16) . . . . ?
B11 B7 B8 B4 -62.9(2) . . . . ?
C2 B7 B8 B12 97.30(17) . . . . ?
B3 B7 B8 B12 137.86(19) . . . . ?
B11 B7 B8 B12 36.80(17) . . . . ?
C2 B7 B8 B9 60.36(19) . . . . ?
B12 B7 B8 B9 -36.95(17) . . . . ?
B3 B7 B8 B9 100.91(19) . . . . ?
B11 B7 B8 B9 -0.1(2) . . . . ?
C1 B4 B8 B3 40.98(16) . . . . ?
B9 B4 B8 B3 138.5(2) . . . . ?
B5 B4 B8 B3 101.60(19) . . . . ?
C1 B4 B8 B7 2.6(2) . . . . ?
B9 B4 B8 B7 100.12(19) . . . . ?
B3 B4 B8 B7 -38.35(16) . . . . ?
B5 B4 B8 B7 63.3(2) . . . . ?
C1 B4 B8 B12 -60.36(19) . . . . ?
B9 B4 B8 B12 37.13(16) . . . . ?
B3 B4 B8 B12 -101.34(19) . . . . ?
B5 B4 B8 B12 0.3(2) . . . . ?
C1 B4 B8 B9 -97.49(18) . . . . ?
B3 B4 B8 B9 -138.5(2) . . . . ?
B5 B4 B8 B9 -36.87(17) . . . . ?
C1 B4 B9 B12 61.4(2) . . . . ?
B3 B4 B9 B12 -1.0(2) . . . . ?
B8 B4 B9 B12 -37.83(18) . . . . ?
B5 B4 B9 B12 101.0(2) . . . . ?
C1 B4 B9 B5 -39.63(17) . . . . ?
B3 B4 B9 B5 -102.1(2) . . . . ?
B8 B4 B9 B5 -138.85(19) . . . . ?
C1 B4 B9 B10 -2.1(2) . . . . ?
B3 B4 B9 B10 -64.5(2) . . . . ?
B8 B4 B9 B10 -101.3(2) . . . . ?
B5 B4 B9 B10 37.57(17) . . . . ?
C1 B4 B9 B8 99.22(19) . . . . ?
B3 B4 B9 B8 36.79(17) . . . . ?
B5 B4 B9 B8 138.85(19) . . . . ?
C1 B5 B9 B12 -61.4(2) . . . . ?
B10 B5 B9 B12 36.97(16) . . . . ?
B6 B5 B9 B12 0.1(2) . . . . ?
B4 B5 B9 B12 -101.13(18) . . . . ?
C1 B5 B9 B4 39.75(17) . . . . ?
B10 B5 B9 B4 138.10(18) . . . . ?
B6 B5 B9 B4 101.27(18) . . . . ?
C1 B5 B9 B10 -98.35(18) . . . . ?
B6 B5 B9 B10 -36.83(15) . . . . ?
B4 B5 B9 B10 -138.10(18) . . . . ?
C1 B5 B9 B8 2.6(2) . . . . ?
B10 B5 B9 B8 100.9(2) . . . . ?
B6 B5 B9 B8 64.1(2) . . . . ?
B4 B5 B9 B8 -37.15(18) . . . . ?
B3 B8 B9 B12 100.8(2) . . . . ?
B7 B8 B9 B12 37.13(17) . . . . ?
B4 B8 B9 B12 137.88(18) . . . . ?
B3 B8 B9 B4 -37.10(17) . . . . ?
B7 B8 B9 B4 -100.74(18) . . . . ?
B12 B8 B9 B4 -137.88(18) . . . . ?
B3 B8 B9 B5 0.2(3) . . . . ?
B7 B8 B9 B5 -63.4(2) . . . . ?
B4 B8 B9 B5 37.32(18) . . . . ?
B12 B8 B9 B5 -100.6(2) . . . . ?
B3 B8 B9 B10 64.0(2) . . . . ?
B7 B8 B9 B10 0.3(2) . . . . ?
B4 B8 B9 B10 101.08(19) . . . . ?
B12 B8 B9 B10 -36.80(16) . . . . ?
C1 B6 B10 B12 -60.6(2) . . . . ?
C2 B6 B10 B12 -2.6(2) . . . . ?
B5 B6 B10 B12 -100.4(2) . . . . ?
B11 B6 B10 B12 37.32(18) . . . . ?
C1 B6 B10 B11 -97.89(19) . . . . ?
C2 B6 B10 B11 -39.96(17) . . . . ?
B5 B6 B10 B11 -137.76(19) . . . . ?
C1 B6 B10 B5 39.87(17) . . . . ?
C2 B6 B10 B5 97.80(19) . . . . ?
B11 B6 B10 B5 137.76(19) . . . . ?
C1 B6 B10 B9 2.7(2) . . . . ?
C2 B6 B10 B9 60.6(2) . . . . ?
B5 B6 B10 B9 -37.16(17) . . . . ?
B11 B6 B10 B9 100.6(2) . . . . ?
C1 B5 B10 B6 -40.59(17) . . . . ?
B9 B5 B10 B6 -138.42(18) . . . . ?
B4 B5 B10 B6 -101.22(19) . . . . ?
C1 B5 B10 B12 61.0(2) . . . . ?
B9 B5 B10 B12 -36.82(16) . . . . ?
B6 B5 B10 B12 101.60(18) . . . . ?
B4 B5 B10 B12 0.4(2) . . . . ?
C1 B5 B10 B11 -2.6(2) . . . . ?
B9 B5 B10 B11 -100.4(2) . . . . ?
B6 B5 B10 B11 38.02(18) . . . . ?
B4 B5 B10 B11 -63.2(2) . . . . ?
C1 B5 B10 B9 97.83(18) . . . . ?
B6 B5 B10 B9 138.42(18) . . . . ?
B4 B5 B10 B9 37.20(16) . . . . ?
B12 B9 B10 B6 -101.26(19) . . . . ?
B4 B9 B10 B6 -0.4(2) . . . . ?
B5 B9 B10 B6 37.39(17) . . . . ?
B8 B9 B10 B6 -64.3(2) . . . . ?
B4 B9 B10 B12 100.83(18) . . . . ?
B5 B9 B10 B12 138.65(17) . . . . ?
B8 B9 B10 B12 36.97(16) . . . . ?
B12 B9 B10 B11 -37.37(16) . . . . ?
B4 B9 B10 B11 63.5(2) . . . . ?
B5 B9 B10 B11 101.29(18) . . . . ?
B8 B9 B10 B11 -0.4(2) . . . . ?
B12 B9 B10 B5 -138.65(17) . . . . ?
B4 B9 B10 B5 -37.83(17) . . . . ?
B8 B9 B10 B5 -101.68(18) . . . . ?
C1 C2 B11 B10 -2.0(2) . . . . ?
B7 C2 B11 B10 102.52(19) . . . . ?
B6 C2 B11 B10 -40.82(17) . . . . ?
B3 C2 B11 B10 66.8(2) . . . . ?
C1 C2 B11 B12 -63.8(2) . . . . ?
B7 C2 B11 B12 40.74(17) . . . . ?
B6 C2 B11 B12 -102.60(19) . . . . ?
B3 C2 B11 B12 5.0(2) . . . . ?
C1 C2 B11 B6 38.79(17) . . . . ?
B7 C2 B11 B6 143.34(19) . . . . ?
B3 C2 B11 B6 107.6(2) . . . . ?
C1 C2 B11 B7 -104.55(19) . . . . ?
B6 C2 B11 B7 -143.34(19) . . . . ?
B3 C2 B11 B7 -35.72(18) . . . . ?
B6 B10 B11 C2 40.80(17) . . . . ?
B12 B10 B11 C2 -97.67(18) . . . . ?
B5 B10 B11 C2 2.8(2) . . . . ?
B9 B10 B11 C2 -60.5(2) . . . . ?
B6 B10 B11 B12 138.47(19) . . . . ?
B5 B10 B11 B12 100.5(2) . . . . ?
B9 B10 B11 B12 37.20(17) . . . . ?
B12 B10 B11 B6 -138.47(19) . . . . ?
B5 B10 B11 B6 -37.99(18) . . . . ?
B9 B10 B11 B6 -101.27(19) . . . . ?
B6 B10 B11 B7 101.57(19) . . . . ?
B12 B10 B11 B7 -36.90(17) . . . . ?
B5 B10 B11 B7 63.6(2) . . . . ?
B9 B10 B11 B7 0.3(2) . . . . ?
C1 B6 B11 C2 -34.38(15) . . . . ?
B10 B6 B11 C2 -132.48(19) . . . . ?
B5 B6 B11 C2 -94.55(18) . . . . ?
C1 B6 B11 B10 98.11(19) . . . . ?
C2 B6 B11 B10 132.48(19) . . . . ?
B5 B6 B11 B10 37.93(16) . . . . ?
C1 B6 B11 B12 61.15(19) . . . . ?
C2 B6 B11 B12 95.53(18) . . . . ?
B10 B6 B11 B12 -36.96(16) . . . . ?
B5 B6 B11 B12 1.0(2) . . . . ?
C1 B6 B11 B7 -1.9(2) . . . . ?
C2 B6 B11 B7 32.44(16) . . . . ?
B10 B6 B11 B7 -100.0(2) . . . . ?
B5 B6 B11 B7 -62.1(2) . . . . ?
B8 B7 B11 C2 95.57(19) . . . . ?
B12 B7 B11 C2 132.64(19) . . . . ?
B3 B7 B11 C2 32.61(16) . . . . ?
C2 B7 B11 B10 -95.66(19) . . . . ?
B8 B7 B11 B10 -0.1(2) . . . . ?
B12 B7 B11 B10 36.98(17) . . . . ?
B3 B7 B11 B10 -63.1(2) . . . . ?
C2 B7 B11 B12 -132.64(19) . . . . ?
B8 B7 B11 B12 -37.08(17) . . . . ?
B3 B7 B11 B12 -100.03(19) . . . . ?
C2 B7 B11 B6 -32.82(16) . . . . ?
B8 B7 B11 B6 62.7(2) . . . . ?
B12 B7 B11 B6 99.8(2) . . . . ?
B3 B7 B11 B6 -0.2(2) . . . . ?
B4 B9 B12 B10 -101.17(19) . . . . ?
B5 B9 B12 B10 -37.02(16) . . . . ?
B8 B9 B12 B10 -138.97(17) . . . . ?
B4 B9 B12 B7 0.5(2) . . . . ?
B5 B9 B12 B7 64.7(2) . . . . ?
B10 B9 B12 B7 101.68(19) . . . . ?
B8 B9 B12 B7 -37.29(17) . . . . ?
B4 B9 B12 B11 -63.7(2) . . . . ?
B5 B9 B12 B11 0.5(2) . . . . ?
B10 B9 B12 B11 37.49(15) . . . . ?
B8 B9 B12 B11 -101.48(18) . . . . ?
B4 B9 B12 B8 37.79(17) . . . . ?
B5 B9 B12 B8 101.94(18) . . . . ?
B10 B9 B12 B8 138.97(17) . . . . ?
B6 B10 B12 B9 100.75(19) . . . . ?
B11 B10 B12 B9 138.21(17) . . . . ?
B5 B10 B12 B9 36.87(16) . . . . ?
B6 B10 B12 B7 0.1(3) . . . . ?
B11 B10 B12 B7 37.56(17) . . . . ?
B5 B10 B12 B7 -63.8(2) . . . . ?
B9 B10 B12 B7 -100.65(19) . . . . ?
B6 B10 B12 B11 -37.46(18) . . . . ?
B5 B10 B12 B11 -101.34(18) . . . . ?
B9 B10 B12 B11 -138.21(17) . . . . ?
B6 B10 B12 B8 63.7(2) . . . . ?
B11 B10 B12 B8 101.12(18) . . . . ?
B5 B10 B12 B8 -0.2(2) . . . . ?
B9 B10 B12 B8 -37.09(16) . . . . ?
C2 B7 B12 B9 -61.5(2) . . . . ?
B8 B7 B12 B9 37.51(18) . . . . ?
B3 B7 B12 B9 0.2(2) . . . . ?
B11 B7 B12 B9 -101.3(2) . . . . ?
C2 B7 B12 B10 2.5(2) . . . . ?
B8 B7 B12 B10 101.5(2) . . . . ?
B3 B7 B12 B10 64.2(2) . . . . ?
B11 B7 B12 B10 -37.32(18) . . . . ?
C2 B7 B12 B11 39.83(17) . . . . ?
B8 B7 B12 B11 138.85(19) . . . . ?
B3 B7 B12 B11 101.6(2) . . . . ?
C2 B7 B12 B8 -99.02(19) . . . . ?
B3 B7 B12 B8 -37.29(17) . . . . ?
B11 B7 B12 B8 -138.85(19) . . . . ?
C2 B11 B12 B9 60.8(2) . . . . ?
B10 B11 B12 B9 -37.64(16) . . . . ?
B6 B11 B12 B9 -0.9(2) . . . . ?
B7 B11 B12 B9 100.87(19) . . . . ?
C2 B11 B12 B10 98.42(19) . . . . ?
B6 B11 B12 B10 36.75(16) . . . . ?
B7 B11 B12 B10 138.50(19) . . . . ?
C2 B11 B12 B7 -40.08(16) . . . . ?
B10 B11 B12 B7 -138.50(19) . . . . ?
B6 B11 B12 B7 -101.75(18) . . . . ?
C2 B11 B12 B8 -3.2(2) . . . . ?
B10 B11 B12 B8 -101.6(2) . . . . ?
B6 B11 B12 B8 -64.9(2) . . . . ?
B7 B11 B12 B8 36.89(17) . . . . ?
B3 B8 B12 B9 -100.4(2) . . . . ?
B7 B8 B12 B9 -138.22(19) . . . . ?
B4 B8 B12 B9 -37.15(16) . . . . ?
B3 B8 B12 B10 -63.3(2) . . . . ?
B7 B8 B12 B10 -101.09(19) . . . . ?
B4 B8 B12 B10 0.0(2) . . . . ?
B9 B8 B12 B10 37.13(16) . . . . ?
B3 B8 B12 B7 37.81(17) . . . . ?
B4 B8 B12 B7 101.07(18) . . . . ?
B9 B8 B12 B7 138.22(19) . . . . ?
B3 B8 B12 B11 0.6(2) . . . . ?
B7 B8 B12 B11 -37.25(18) . . . . ?
B4 B8 B12 B11 63.8(2) . . . . ?
B9 B8 B12 B11 101.0(2) . . . . ?
N1 N2 C3 C4 178.81(19) . . . . ?
N1 N2 C3 C8 -1.4(3) . . . . ?
C8 C3 C4 C5 0.0(3) . . . . ?
N2 C3 C4 C5 179.76(19) . . . . ?
C3 C4 C5 C6 0.2(3) . . . . ?
C9 O1 C6 C5 -1.1(3) . . . . ?
C9 O1 C6 C7 -179.59(19) . . . . ?
C4 C5 C6 O1 -179.0(2) . . . . ?
C4 C5 C6 C7 -0.6(3) . . . . ?
O1 C6 C7 C8 179.22(19) . . . . ?
C5 C6 C7 C8 0.7(3) . . . . ?
C6 C7 C8 C3 -0.4(3) . . . . ?
C4 C3 C8 C7 0.1(3) . . . . ?
N2 C3 C8 C7 -179.65(19) . . . . ?

_refine_diff_density_max         0.250
_refine_diff_density_min         -0.226
_refine_diff_density_rms         0.047

_shelxl_version_number           2014/6

####################################################################### 
# 
# 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_siv5
_database_code_depnum_ccdc_archive 'CCDC 1995640'
loop_
_audit_author_name
_audit_author_address
'Kyrill Yu. Suponitsky'
;A N Nesmeyanov Institute of Organoelement Compounds, Moscow
Russia
;
_audit_update_record             
;
2020-04-08 deposited with the CCDC.	2020-06-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C9 H18 B10 N2'
_chemical_formula_sum            'C9 H18 B10 N2'
_chemical_formula_weight         262.35

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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'

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

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

_cell_length_a                   19.235(3)
_cell_length_b                   7.0992(11)
_cell_length_c                   21.796(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2976.4(8)
_cell_formula_units_Z            8
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    1700
_cell_measurement_theta_min      2.82
_cell_measurement_theta_max      23.63

_exptl_crystal_description       plate
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.171
_exptl_crystal_F_000             1088
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.04
_exptl_absorpt_coefficient_mu    0.059
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            36238
_diffrn_reflns_av_unetI/netI     0.0904
_diffrn_reflns_av_R_equivalents  0.1794
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.869
_diffrn_reflns_theta_max         29.591
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             4170
_reflns_number_gt                2265
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'APEX (Bruker, 2014)'
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_structure_solution    'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_publication_material  
'SHELXL-2014/6 (Sheldrick, 2014) and PLATON (Spek, 2015)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0645P)²+0.4425P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4170
_refine_ls_number_parameters     235
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1359
_refine_ls_R_factor_gt           0.0580
_refine_ls_wR_factor_ref         0.1561
_refine_ls_wR_factor_gt          0.1202
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_restrained_S_all      1.003
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
N1 N 0.22552(8) 0.3678(2) 0.20234(7) 0.0228(4) Uani 1 1 d . . . . .
N2 N 0.21281(8) 0.3219(2) 0.25697(8) 0.0222(4) Uani 1 1 d . . . . .
C1 C 0.14867(10) 0.1247(3) 0.13129(9) 0.0224(4) Uani 1 1 d . . . . .
C2 C 0.09527(10) 0.2045(3) 0.18321(9) 0.0218(4) Uani 1 1 d . . . . .
B3 B 0.16426(11) 0.3447(3) 0.16114(10) 0.0217(5) Uani 1 1 d . . . . .
B4 B 0.17333(12) 0.2976(3) 0.08177(11) 0.0249(5) Uani 1 1 d . . . . .
B5 B 0.11116(12) 0.1215(3) 0.06076(10) 0.0243(5) Uani 1 1 d . . . . .
B6 B 0.06292(12) 0.0586(3) 0.12738(11) 0.0246(5) Uani 1 1 d . . . . .
B7 B 0.07920(12) 0.4373(3) 0.17392(11) 0.0242(5) Uani 1 1 d . . . . .
B8 B 0.12787(12) 0.5009(3) 0.10718(11) 0.0259(5) Uani 1 1 d . . . . .
B9 B 0.09471(12) 0.3636(3) 0.04483(11) 0.0261(5) Uani 1 1 d . . . . .
B10 B 0.02635(13) 0.2163(3) 0.07301(11) 0.0271(5) Uani 1 1 d . . . . .
B11 B 0.01698(12) 0.2627(3) 0.15264(11) 0.0250(5) Uani 1 1 d . . . . .
B12 B 0.03685(12) 0.4511(3) 0.10191(11) 0.0262(5) Uani 1 1 d . . . . .
C3 C 0.27063(10) 0.3343(3) 0.29815(9) 0.0214(4) Uani 1 1 d . . . . .
C4 C 0.25463(10) 0.3510(3) 0.36060(9) 0.0220(4) Uani 1 1 d . . . . .
C5 C 0.31052(11) 0.3621(3) 0.40134(9) 0.0265(5) Uani 1 1 d . . . . .
H5A H 0.3015 0.3763 0.4439 0.032 Uiso 1 1 calc R U . . .
C6 C 0.37888(11) 0.3530(3) 0.38115(10) 0.0274(5) Uani 1 1 d . . . . .
H6A H 0.4159 0.3629 0.4098 0.033 Uiso 1 1 calc R U . . .
C7 C 0.39340(10) 0.3295(3) 0.31948(10) 0.0262(5) Uani 1 1 d . . . . .
H7A H 0.4402 0.3192 0.3059 0.031 Uiso 1 1 calc R U . . .
C8 C 0.33917(10) 0.3208(3) 0.27744(9) 0.0238(4) Uani 1 1 d . . . . .
H8A H 0.3487 0.3059 0.2349 0.029 Uiso 1 1 calc R U . . .
C9 C 0.18063(10) 0.3587(3) 0.38301(9) 0.0289(5) Uani 1 1 d . . . . .
H9A H 0.1802 0.3653 0.4279 0.043 Uiso 1 1 calc R U . . .
H9B H 0.1558 0.2454 0.3696 0.043 Uiso 1 1 calc R U . . .
H9C H 0.1577 0.4705 0.3661 0.043 Uiso 1 1 calc R U . . .
H1 H 0.1800(11) 0.030(3) 0.1462(10) 0.028(6) Uiso 1 1 d . . . . .
H2 H 0.1013(11) 0.153(3) 0.2234(10) 0.030(6) Uiso 1 1 d . . . . .
H4 H 0.2265(11) 0.290(3) 0.0637(9) 0.026(6) Uiso 1 1 d . . . . .
H5 H 0.1260(10) 0.013(3) 0.0282(9) 0.024(5) Uiso 1 1 d . . . . .
H6 H 0.0494(11) -0.085(3) 0.1405(9) 0.030(6) Uiso 1 1 d . . . . .
H7 H 0.0705(10) 0.522(3) 0.2150(9) 0.024(5) Uiso 1 1 d . . . . .
H8 H 0.1512(10) 0.644(3) 0.1013(9) 0.027(5) Uiso 1 1 d . . . . .
H9 H 0.0947(11) 0.419(3) -0.0022(9) 0.030(6) Uiso 1 1 d . . . . .
H10 H -0.0177(10) 0.175(3) 0.0432(9) 0.023(5) Uiso 1 1 d . . . . .
H11 H -0.0278(11) 0.245(3) 0.1819(10) 0.031(6) Uiso 1 1 d . . . . .
H12 H -0.0008(11) 0.556(3) 0.0907(9) 0.030(6) Uiso 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
N1 N2 1.259(2) . ?
N1 B3 1.491(3) . ?
N2 C3 1.432(2) . ?
C1 C2 1.630(3) . ?
C1 B5 1.698(3) . ?
C1 B4 1.702(3) . ?
C1 B6 1.717(3) . ?
C1 B3 1.718(3) . ?
C1 H1 0.96(2) . ?
C2 B7 1.694(3) . ?
C2 B11 1.698(3) . ?
C2 B6 1.715(3) . ?
C2 B3 1.727(3) . ?
C2 H2 0.96(2) . ?
B3 B8 1.762(3) . ?
B3 B4 1.771(3) . ?
B3 B7 1.785(3) . ?
B4 B8 1.776(3) . ?
B4 B9 1.776(3) . ?
B4 B5 1.790(3) . ?
B4 H4 1.10(2) . ?
B5 B6 1.780(3) . ?
B5 B9 1.782(4) . ?
B5 B10 1.785(3) . ?
B5 H5 1.09(2) . ?
B6 B10 1.776(3) . ?
B6 B11 1.784(3) . ?
B6 H6 1.09(2) . ?
B7 B12 1.771(3) . ?
B7 B11 1.784(3) . ?
B7 B8 1.788(3) . ?
B7 H7 1.09(2) . ?
B8 B9 1.790(3) . ?
B8 B12 1.790(3) . ?
B8 H8 1.12(2) . ?
B9 B12 1.781(3) . ?
B9 B10 1.789(3) . ?
B9 H9 1.10(2) . ?
B10 B11 1.776(4) . ?
B10 B12 1.794(3) . ?
B10 H10 1.11(2) . ?
B11 B12 1.777(3) . ?
B11 H11 1.08(2) . ?
B12 H12 1.07(2) . ?
C3 C8 1.397(3) . ?
C3 C4 1.401(3) . ?
C4 C5 1.397(3) . ?
C4 C9 1.506(3) . ?
C5 C6 1.388(3) . ?
C5 H5A 0.9500 . ?
C6 C7 1.383(3) . ?
C6 H6A 0.9500 . ?
C7 C8 1.390(3) . ?
C7 H7A 0.9500 . ?
C8 H8A 0.9500 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 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
N2 N1 B3 112.82(16) . . ?
N1 N2 C3 115.23(15) . . ?
C2 C1 B5 111.43(16) . . ?
C2 C1 B4 111.43(16) . . ?
B5 C1 B4 63.51(13) . . ?
C2 C1 B6 61.57(12) . . ?
B5 C1 B6 62.83(13) . . ?
B4 C1 B6 115.69(16) . . ?
C2 C1 B3 62.05(12) . . ?
B5 C1 B3 115.40(16) . . ?
B4 C1 B3 62.35(13) . . ?
B6 C1 B3 115.78(16) . . ?
C2 C1 H1 113.9(13) . . ?
B5 C1 H1 124.2(13) . . ?
B4 C1 H1 123.1(13) . . ?
B6 C1 H1 115.3(12) . . ?
B3 C1 H1 113.7(13) . . ?
C1 C2 B7 111.79(16) . . ?
C1 C2 B11 111.79(16) . . ?
B7 C2 B11 63.49(13) . . ?
C1 C2 B6 61.72(12) . . ?
B7 C2 B6 116.01(16) . . ?
B11 C2 B6 63.05(13) . . ?
C1 C2 B3 61.49(12) . . ?
B7 C2 B3 62.90(13) . . ?
B11 C2 B3 115.58(16) . . ?
B6 C2 B3 115.43(15) . . ?
C1 C2 H2 115.3(13) . . ?
B7 C2 H2 120.2(13) . . ?
B11 C2 H2 124.1(13) . . ?
B6 C2 H2 117.7(13) . . ?
B3 C2 H2 112.4(13) . . ?
N1 B3 C1 117.78(16) . . ?
N1 B3 C2 120.20(17) . . ?
C1 B3 C2 56.46(11) . . ?
N1 B3 B8 130.32(17) . . ?
C1 B3 B8 104.48(16) . . ?
C2 B3 B8 104.09(15) . . ?
N1 B3 B4 122.10(17) . . ?
C1 B3 B4 58.37(12) . . ?
C2 B3 B4 103.83(15) . . ?
B8 B3 B4 60.38(13) . . ?
N1 B3 B7 126.15(17) . . ?
C1 B3 B7 103.53(15) . . ?
C2 B3 B7 57.64(12) . . ?
B8 B3 B7 60.54(13) . . ?
B4 B3 B7 108.20(16) . . ?
C1 B4 B3 59.28(12) . . ?
C1 B4 B8 104.54(16) . . ?
B3 B4 B8 59.56(13) . . ?
C1 B4 B9 103.91(16) . . ?
B3 B4 B9 108.01(16) . . ?
B8 B4 B9 60.51(13) . . ?
C1 B4 B5 58.15(12) . . ?
B3 B4 B5 108.42(16) . . ?
B8 B4 B5 108.57(16) . . ?
B9 B4 B5 59.95(13) . . ?
C1 B4 H4 117.0(11) . . ?
B3 B4 H4 116.9(10) . . ?
B8 B4 H4 127.5(11) . . ?
B9 B4 H4 130.0(11) . . ?
B5 B4 H4 119.9(11) . . ?
C1 B5 B6 59.10(12) . . ?
C1 B5 B9 103.83(16) . . ?
B6 B5 B9 107.97(17) . . ?
C1 B5 B10 104.36(16) . . ?
B6 B5 B10 59.75(13) . . ?
B9 B5 B10 60.22(13) . . ?
C1 B5 B4 58.34(12) . . ?
B6 B5 B4 108.35(16) . . ?
B9 B5 B4 59.65(13) . . ?
B10 B5 B4 108.02(17) . . ?
C1 B5 H5 119.2(10) . . ?
B6 B5 H5 119.4(10) . . ?
B9 B5 H5 127.3(10) . . ?
B10 B5 H5 127.3(10) . . ?
B4 B5 H5 119.2(10) . . ?
C2 B6 C1 56.71(12) . . ?
C2 B6 B10 103.69(16) . . ?
C1 B6 B10 103.96(16) . . ?
C2 B6 B5 103.77(16) . . ?
C1 B6 B5 58.07(12) . . ?
B10 B6 B5 60.25(14) . . ?
C2 B6 B11 58.01(12) . . ?
C1 B6 B11 103.79(16) . . ?
B10 B6 B11 59.85(14) . . ?
B5 B6 B11 107.81(17) . . ?
C2 B6 H6 117.7(11) . . ?
C1 B6 H6 118.1(11) . . ?
B10 B6 H6 132.1(11) . . ?
B5 B6 H6 125.0(11) . . ?
B11 B6 H6 124.1(11) . . ?
C2 B7 B12 104.10(16) . . ?
C2 B7 B11 58.36(12) . . ?
B12 B7 B11 59.97(13) . . ?
C2 B7 B3 59.47(12) . . ?
B12 B7 B3 107.67(16) . . ?
B11 B7 B3 108.56(16) . . ?
C2 B7 B8 104.37(16) . . ?
B12 B7 B8 60.38(13) . . ?
B11 B7 B8 108.36(17) . . ?
B3 B7 B8 59.08(13) . . ?
C2 B7 H7 117.9(11) . . ?
B12 B7 H7 128.7(10) . . ?
B11 B7 H7 119.6(10) . . ?
B3 B7 H7 118.1(10) . . ?
B8 B7 H7 127.4(11) . . ?
B3 B8 B4 60.06(13) . . ?
B3 B8 B7 60.38(13) . . ?
B4 B8 B7 107.84(16) . . ?
B3 B8 B9 107.80(17) . . ?
B4 B8 B9 59.75(13) . . ?
B7 B8 B9 107.08(16) . . ?
B3 B8 B12 107.88(17) . . ?
B4 B8 B12 107.52(17) . . ?
B7 B8 B12 59.34(13) . . ?
B9 B8 B12 59.68(13) . . ?
B3 B8 H8 119.3(10) . . ?
B4 B8 H8 120.3(10) . . ?
B7 B8 H8 122.2(10) . . ?
B9 B8 H8 123.4(10) . . ?
B12 B8 H8 124.4(10) . . ?
B4 B9 B12 107.90(16) . . ?
B4 B9 B5 60.40(13) . . ?
B12 B9 B5 108.13(16) . . ?
B4 B9 B10 108.42(17) . . ?
B12 B9 B10 60.32(13) . . ?
B5 B9 B10 59.97(13) . . ?
B4 B9 B8 59.74(13) . . ?
B12 B9 B8 60.16(13) . . ?
B5 B9 B8 108.31(16) . . ?
B10 B9 B8 108.64(17) . . ?
B4 B9 H9 121.2(11) . . ?
B12 B9 H9 121.8(11) . . ?
B5 B9 H9 121.8(11) . . ?
B10 B9 H9 121.9(11) . . ?
B8 B9 H9 121.0(11) . . ?
B6 B10 B11 60.32(13) . . ?
B6 B10 B5 60.01(13) . . ?
B11 B10 B5 107.99(17) . . ?
B6 B10 B9 107.86(17) . . ?
B11 B10 B9 107.55(17) . . ?
B5 B10 B9 59.81(14) . . ?
B6 B10 B12 107.87(16) . . ?
B11 B10 B12 59.71(13) . . ?
B5 B10 B12 107.45(17) . . ?
B9 B10 B12 59.62(14) . . ?
B6 B10 H10 121.9(10) . . ?
B11 B10 H10 123.0(10) . . ?
B5 B10 H10 120.8(10) . . ?
B9 B10 H10 121.0(10) . . ?
B12 B10 H10 122.5(10) . . ?
C2 B11 B10 104.38(16) . . ?
C2 B11 B12 103.69(16) . . ?
B10 B11 B12 60.64(14) . . ?
C2 B11 B6 58.94(12) . . ?
B10 B11 B6 59.83(13) . . ?
B12 B11 B6 108.23(17) . . ?
C2 B11 B7 58.15(13) . . ?
B10 B11 B7 108.36(17) . . ?
B12 B11 B7 59.64(13) . . ?
B6 B11 B7 108.20(16) . . ?
C2 B11 H11 116.6(11) . . ?
B10 B11 H11 129.5(11) . . ?
B12 B11 H11 128.9(11) . . ?
B6 B11 H11 118.8(11) . . ?
B7 B11 H11 117.6(11) . . ?
B7 B12 B11 60.39(13) . . ?
B7 B12 B9 108.21(16) . . ?
B11 B12 B9 107.86(17) . . ?
B7 B12 B8 60.28(13) . . ?
B11 B12 B8 108.62(16) . . ?
B9 B12 B8 60.17(13) . . ?
B7 B12 B10 108.17(16) . . ?
B11 B12 B10 59.65(14) . . ?
B9 B12 B10 60.06(14) . . ?
B8 B12 B10 108.45(17) . . ?
B7 B12 H12 123.5(11) . . ?
B11 B12 H12 121.5(11) . . ?
B9 B12 H12 120.5(11) . . ?
B8 B12 H12 122.6(11) . . ?
B10 B12 H12 119.6(11) . . ?
C8 C3 C4 121.82(17) . . ?
C8 C3 N2 121.76(17) . . ?
C4 C3 N2 116.34(17) . . ?
C5 C4 C3 116.97(18) . . ?
C5 C4 C9 121.29(18) . . ?
C3 C4 C9 121.74(17) . . ?
C6 C5 C4 121.67(19) . . ?
C6 C5 H5A 119.2 . . ?
C4 C5 H5A 119.2 . . ?
C7 C6 C5 120.33(18) . . ?
C7 C6 H6A 119.8 . . ?
C5 C6 H6A 119.8 . . ?
C6 C7 C8 119.65(19) . . ?
C6 C7 H7A 120.2 . . ?
C8 C7 H7A 120.2 . . ?
C7 C8 C3 119.49(19) . . ?
C7 C8 H8A 120.3 . . ?
C3 C8 H8A 120.3 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 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
B3 N1 N2 C3 177.65(15) . . . . ?
B5 C1 C2 B7 -69.1(2) . . . . ?
B4 C1 C2 B7 -0.3(2) . . . . ?
B6 C1 C2 B7 -108.73(17) . . . . ?
B3 C1 C2 B7 39.16(15) . . . . ?
B5 C1 C2 B11 -0.1(2) . . . . ?
B4 C1 C2 B11 68.8(2) . . . . ?
B6 C1 C2 B11 -39.71(16) . . . . ?
B3 C1 C2 B11 108.18(18) . . . . ?
B5 C1 C2 B6 39.63(16) . . . . ?
B4 C1 C2 B6 108.48(18) . . . . ?
B3 C1 C2 B6 147.89(17) . . . . ?
B5 C1 C2 B3 -108.26(17) . . . . ?
B4 C1 C2 B3 -39.41(15) . . . . ?
B6 C1 C2 B3 -147.89(17) . . . . ?
N2 N1 B3 C1 -83.5(2) . . . . ?
N2 N1 B3 C2 -18.1(2) . . . . ?
N2 N1 B3 B8 131.6(2) . . . . ?
N2 N1 B3 B4 -151.87(18) . . . . ?
N2 N1 B3 B7 51.9(3) . . . . ?
C2 C1 B3 N1 109.44(19) . . . . ?
B5 C1 B3 N1 -148.68(17) . . . . ?
B4 C1 B3 N1 -112.40(19) . . . . ?
B6 C1 B3 N1 140.72(18) . . . . ?
B5 C1 B3 C2 101.88(18) . . . . ?
B4 C1 B3 C2 138.16(16) . . . . ?
B6 C1 B3 C2 31.27(16) . . . . ?
C2 C1 B3 B8 -97.50(16) . . . . ?
B5 C1 B3 B8 4.4(2) . . . . ?
B4 C1 B3 B8 40.66(15) . . . . ?
B6 C1 B3 B8 -66.2(2) . . . . ?
C2 C1 B3 B4 -138.16(16) . . . . ?
B5 C1 B3 B4 -36.28(16) . . . . ?
B6 C1 B3 B4 -106.88(18) . . . . ?
C2 C1 B3 B7 -34.91(14) . . . . ?
B5 C1 B3 B7 66.97(19) . . . . ?
B4 C1 B3 B7 103.25(17) . . . . ?
B6 C1 B3 B7 -3.6(2) . . . . ?
C1 C2 B3 N1 -105.1(2) . . . . ?
B7 C2 B3 N1 116.1(2) . . . . ?
B11 C2 B3 N1 152.84(17) . . . . ?
B6 C2 B3 N1 -136.36(18) . . . . ?
B7 C2 B3 C1 -138.80(16) . . . . ?
B11 C2 B3 C1 -102.02(18) . . . . ?
B6 C2 B3 C1 -31.22(16) . . . . ?
C1 C2 B3 B8 98.22(17) . . . . ?
B7 C2 B3 B8 -40.58(15) . . . . ?
B11 C2 B3 B8 -3.8(2) . . . . ?
B6 C2 B3 B8 67.0(2) . . . . ?
C1 C2 B3 B4 35.80(14) . . . . ?
B7 C2 B3 B4 -103.00(17) . . . . ?
B11 C2 B3 B4 -66.2(2) . . . . ?
B6 C2 B3 B4 4.6(2) . . . . ?
C1 C2 B3 B7 138.80(16) . . . . ?
B11 C2 B3 B7 36.78(17) . . . . ?
B6 C2 B3 B7 107.58(18) . . . . ?
C2 C1 B4 B3 39.28(15) . . . . ?
B5 C1 B4 B3 143.33(17) . . . . ?
B6 C1 B4 B3 107.02(18) . . . . ?
C2 C1 B4 B8 -1.0(2) . . . . ?
B5 C1 B4 B8 103.06(17) . . . . ?
B6 C1 B4 B8 66.8(2) . . . . ?
B3 C1 B4 B8 -40.27(15) . . . . ?
C2 C1 B4 B9 -63.63(19) . . . . ?
B5 C1 B4 B9 40.43(15) . . . . ?
B6 C1 B4 B9 4.1(2) . . . . ?
B3 C1 B4 B9 -102.90(17) . . . . ?
C2 C1 B4 B5 -104.05(17) . . . . ?
B6 C1 B4 B5 -36.31(17) . . . . ?
B3 C1 B4 B5 -143.33(17) . . . . ?
N1 B3 B4 C1 105.1(2) . . . . ?
C2 B3 B4 C1 -34.93(14) . . . . ?
B8 B3 B4 C1 -133.48(16) . . . . ?
B7 B3 B4 C1 -94.97(16) . . . . ?
N1 B3 B4 B8 -121.5(2) . . . . ?
C1 B3 B4 B8 133.48(16) . . . . ?
C2 B3 B4 B8 98.54(16) . . . . ?
B7 B3 B4 B8 38.50(15) . . . . ?
N1 B3 B4 B9 -159.15(17) . . . . ?
C1 B3 B4 B9 95.79(17) . . . . ?
C2 B3 B4 B9 60.86(19) . . . . ?
B8 B3 B4 B9 -37.69(16) . . . . ?
B7 B3 B4 B9 0.8(2) . . . . ?
N1 B3 B4 B5 137.38(18) . . . . ?
C1 B3 B4 B5 32.32(15) . . . . ?
C2 B3 B4 B5 -2.6(2) . . . . ?
B8 B3 B4 B5 -101.16(18) . . . . ?
B7 B3 B4 B5 -62.7(2) . . . . ?
C2 C1 B5 B6 -39.08(16) . . . . ?
B4 C1 B5 B6 -143.15(17) . . . . ?
B3 C1 B5 B6 -107.30(18) . . . . ?
C2 C1 B5 B9 63.80(19) . . . . ?
B4 C1 B5 B9 -40.26(15) . . . . ?
B6 C1 B5 B9 102.88(17) . . . . ?
B3 C1 B5 B9 -4.4(2) . . . . ?
C2 C1 B5 B10 1.5(2) . . . . ?
B4 C1 B5 B10 -102.55(18) . . . . ?
B6 C1 B5 B10 40.60(15) . . . . ?
B3 C1 B5 B10 -66.7(2) . . . . ?
C2 C1 B5 B4 104.06(17) . . . . ?
B6 C1 B5 B4 143.15(17) . . . . ?
B3 C1 B5 B4 35.84(16) . . . . ?
B3 B4 B5 C1 -32.76(15) . . . . ?
B8 B4 B5 C1 -95.92(17) . . . . ?
B9 B4 B5 C1 -133.35(17) . . . . ?
C1 B4 B5 B6 32.83(15) . . . . ?
B3 B4 B5 B6 0.1(2) . . . . ?
B8 B4 B5 B6 -63.1(2) . . . . ?
B9 B4 B5 B6 -100.51(18) . . . . ?
C1 B4 B5 B9 133.35(17) . . . . ?
B3 B4 B5 B9 100.59(18) . . . . ?
B8 B4 B5 B9 37.42(15) . . . . ?
C1 B4 B5 B10 96.07(17) . . . . ?
B3 B4 B5 B10 63.3(2) . . . . ?
B8 B4 B5 B10 0.1(2) . . . . ?
B9 B4 B5 B10 -37.28(16) . . . . ?
B7 C2 B6 C1 101.91(18) . . . . ?
B11 C2 B6 C1 138.28(17) . . . . ?
B3 C2 B6 C1 31.14(16) . . . . ?
C1 C2 B6 B10 -97.89(16) . . . . ?
B7 C2 B6 B10 4.0(2) . . . . ?
B11 C2 B6 B10 40.39(15) . . . . ?
B3 C2 B6 B10 -66.7(2) . . . . ?
C1 C2 B6 B5 -35.67(14) . . . . ?
B7 C2 B6 B5 66.2(2) . . . . ?
B11 C2 B6 B5 102.60(17) . . . . ?
B3 C2 B6 B5 -4.5(2) . . . . ?
C1 C2 B6 B11 -138.28(17) . . . . ?
B7 C2 B6 B11 -36.36(17) . . . . ?
B3 C2 B6 B11 -107.13(18) . . . . ?
B5 C1 B6 C2 -138.14(17) . . . . ?
B4 C1 B6 C2 -101.57(18) . . . . ?
B3 C1 B6 C2 -31.43(16) . . . . ?
C2 C1 B6 B10 97.38(17) . . . . ?
B5 C1 B6 B10 -40.76(15) . . . . ?
B4 C1 B6 B10 -4.2(2) . . . . ?
B3 C1 B6 B10 65.9(2) . . . . ?
C2 C1 B6 B5 138.14(17) . . . . ?
B4 C1 B6 B5 36.56(17) . . . . ?
B3 C1 B6 B5 106.71(18) . . . . ?
C2 C1 B6 B11 35.54(15) . . . . ?
B5 C1 B6 B11 -102.60(17) . . . . ?
B4 C1 B6 B11 -66.0(2) . . . . ?
B3 C1 B6 B11 4.1(2) . . . . ?
C1 B5 B6 C2 35.06(14) . . . . ?
B9 B5 B6 C2 -60.61(19) . . . . ?
B10 B5 B6 C2 -98.07(17) . . . . ?
B4 B5 B6 C2 2.5(2) . . . . ?
B9 B5 B6 C1 -95.66(17) . . . . ?
B10 B5 B6 C1 -133.13(17) . . . . ?
B4 B5 B6 C1 -32.54(15) . . . . ?
C1 B5 B6 B10 133.13(17) . . . . ?
B9 B5 B6 B10 37.46(15) . . . . ?
B4 B5 B6 B10 100.59(18) . . . . ?
C1 B5 B6 B11 95.44(17) . . . . ?
B9 B5 B6 B11 -0.2(2) . . . . ?
B10 B5 B6 B11 -37.69(15) . . . . ?
B4 B5 B6 B11 62.9(2) . . . . ?
C1 C2 B7 B12 63.86(19) . . . . ?
B11 C2 B7 B12 -40.45(15) . . . . ?
B6 C2 B7 B12 -4.3(2) . . . . ?
B3 C2 B7 B12 102.42(17) . . . . ?
C1 C2 B7 B11 104.32(17) . . . . ?
B6 C2 B7 B11 36.20(17) . . . . ?
B3 C2 B7 B11 142.88(17) . . . . ?
C1 C2 B7 B3 -38.56(15) . . . . ?
B11 C2 B7 B3 -142.88(17) . . . . ?
B6 C2 B7 B3 -106.67(17) . . . . ?
C1 C2 B7 B8 1.4(2) . . . . ?
B11 C2 B7 B8 -102.95(17) . . . . ?
B6 C2 B7 B8 -66.8(2) . . . . ?
B3 C2 B7 B8 39.92(14) . . . . ?
N1 B3 B7 C2 -105.9(2) . . . . ?
C1 B3 B7 C2 34.38(14) . . . . ?
B8 B3 B7 C2 133.56(16) . . . . ?
B4 B3 B7 C2 95.13(16) . . . . ?
N1 B3 B7 B12 157.81(18) . . . . ?
C1 B3 B7 B12 -61.88(19) . . . . ?
C2 B3 B7 B12 -96.26(17) . . . . ?
B8 B3 B7 B12 37.30(16) . . . . ?
B4 B3 B7 B12 -1.1(2) . . . . ?
N1 B3 B7 B11 -138.75(19) . . . . ?
C1 B3 B7 B11 1.6(2) . . . . ?
C2 B3 B7 B11 -32.82(15) . . . . ?
B8 B3 B7 B11 100.74(18) . . . . ?
B4 B3 B7 B11 62.3(2) . . . . ?
N1 B3 B7 B8 120.5(2) . . . . ?
C1 B3 B7 B8 -99.18(16) . . . . ?
C2 B3 B7 B8 -133.56(16) . . . . ?
B4 B3 B7 B8 -38.43(15) . . . . ?
N1 B3 B8 B4 108.6(2) . . . . ?
C1 B3 B8 B4 -39.66(14) . . . . ?
C2 B3 B8 B4 -98.09(16) . . . . ?
B7 B3 B8 B4 -137.22(16) . . . . ?
N1 B3 B8 B7 -114.2(2) . . . . ?
C1 B3 B8 B7 97.56(16) . . . . ?
C2 B3 B8 B7 39.13(14) . . . . ?
B4 B3 B8 B7 137.22(16) . . . . ?
N1 B3 B8 B9 145.9(2) . . . . ?
C1 B3 B8 B9 -2.4(2) . . . . ?
C2 B3 B8 B9 -60.79(19) . . . . ?
B4 B3 B8 B9 37.30(15) . . . . ?
B7 B3 B8 B9 -99.92(17) . . . . ?
N1 B3 B8 B12 -151.1(2) . . . . ?
C1 B3 B8 B12 60.67(19) . . . . ?
C2 B3 B8 B12 2.2(2) . . . . ?
B4 B3 B8 B12 100.32(18) . . . . ?
B7 B3 B8 B12 -36.90(16) . . . . ?
C1 B4 B8 B3 40.13(14) . . . . ?
B9 B4 B8 B3 138.10(17) . . . . ?
B5 B4 B8 B3 100.91(17) . . . . ?
C1 B4 B8 B7 1.8(2) . . . . ?
B3 B4 B8 B7 -38.34(15) . . . . ?
B9 B4 B8 B7 99.76(17) . . . . ?
B5 B4 B8 B7 62.6(2) . . . . ?
C1 B4 B8 B9 -97.97(17) . . . . ?
B3 B4 B8 B9 -138.10(17) . . . . ?
B5 B4 B8 B9 -37.18(16) . . . . ?
C1 B4 B8 B12 -60.8(2) . . . . ?
B3 B4 B8 B12 -100.94(18) . . . . ?
B9 B4 B8 B12 37.15(16) . . . . ?
B5 B4 B8 B12 0.0(2) . . . . ?
C2 B7 B8 B3 -40.12(14) . . . . ?
B12 B7 B8 B3 -138.38(17) . . . . ?
B11 B7 B8 B3 -101.07(17) . . . . ?
C2 B7 B8 B4 -1.9(2) . . . . ?
B12 B7 B8 B4 -100.19(17) . . . . ?
B11 B7 B8 B4 -62.9(2) . . . . ?
B3 B7 B8 B4 38.19(15) . . . . ?
C2 B7 B8 B9 61.02(19) . . . . ?
B12 B7 B8 B9 -37.24(15) . . . . ?
B11 B7 B8 B9 0.1(2) . . . . ?
B3 B7 B8 B9 101.14(18) . . . . ?
C2 B7 B8 B12 98.26(17) . . . . ?
B11 B7 B8 B12 37.31(16) . . . . ?
B3 B7 B8 B12 138.38(17) . . . . ?
C1 B4 B9 B12 61.6(2) . . . . ?
B3 B4 B9 B12 -0.2(2) . . . . ?
B8 B4 B9 B12 -37.46(16) . . . . ?
B5 B4 B9 B12 101.10(18) . . . . ?
C1 B4 B9 B5 -39.52(14) . . . . ?
B3 B4 B9 B5 -101.30(17) . . . . ?
B8 B4 B9 B5 -138.56(17) . . . . ?
C1 B4 B9 B10 -2.3(2) . . . . ?
B3 B4 B9 B10 -64.0(2) . . . . ?
B8 B4 B9 B10 -101.29(18) . . . . ?
B5 B4 B9 B10 37.27(16) . . . . ?
C1 B4 B9 B8 99.04(17) . . . . ?
B3 B4 B9 B8 37.26(15) . . . . ?
B5 B4 B9 B8 138.56(17) . . . . ?
C1 B5 B9 B4 39.60(14) . . . . ?
B6 B5 B9 B4 101.17(17) . . . . ?
B10 B5 B9 B4 138.42(17) . . . . ?
C1 B5 B9 B12 -61.11(19) . . . . ?
B6 B5 B9 B12 0.5(2) . . . . ?
B10 B5 B9 B12 37.71(15) . . . . ?
B4 B5 B9 B12 -100.71(18) . . . . ?
C1 B5 B9 B10 -98.82(17) . . . . ?
B6 B5 B9 B10 -37.26(15) . . . . ?
B4 B5 B9 B10 -138.42(17) . . . . ?
C1 B5 B9 B8 2.6(2) . . . . ?
B6 B5 B9 B8 64.1(2) . . . . ?
B10 B5 B9 B8 101.40(18) . . . . ?
B4 B5 B9 B8 -37.02(15) . . . . ?
B3 B8 B9 B4 -37.44(15) . . . . ?
B7 B8 B9 B4 -101.06(17) . . . . ?
B12 B8 B9 B4 -138.15(17) . . . . ?
B3 B8 B9 B12 100.71(18) . . . . ?
B4 B8 B9 B12 138.15(17) . . . . ?
B7 B8 B9 B12 37.09(15) . . . . ?
B3 B8 B9 B5 -0.1(2) . . . . ?
B4 B8 B9 B5 37.31(15) . . . . ?
B7 B8 B9 B5 -63.7(2) . . . . ?
B12 B8 B9 B5 -100.84(18) . . . . ?
B3 B8 B9 B10 63.5(2) . . . . ?
B4 B8 B9 B10 100.90(18) . . . . ?
B7 B8 B9 B10 -0.2(2) . . . . ?
B12 B8 B9 B10 -37.24(16) . . . . ?
C2 B6 B10 B11 -39.47(14) . . . . ?
C1 B6 B10 B11 -98.03(17) . . . . ?
B5 B6 B10 B11 -137.69(17) . . . . ?
C2 B6 B10 B5 98.22(16) . . . . ?
C1 B6 B10 B5 39.66(14) . . . . ?
B11 B6 B10 B5 137.69(17) . . . . ?
C2 B6 B10 B9 60.97(19) . . . . ?
C1 B6 B10 B9 2.4(2) . . . . ?
B5 B6 B10 B9 -37.26(16) . . . . ?
B11 B6 B10 B9 100.43(18) . . . . ?
C2 B6 B10 B12 -2.0(2) . . . . ?
C1 B6 B10 B12 -60.6(2) . . . . ?
B5 B6 B10 B12 -100.24(18) . . . . ?
B11 B6 B10 B12 37.45(15) . . . . ?
C1 B5 B10 B6 -40.27(15) . . . . ?
B9 B5 B10 B6 -138.19(17) . . . . ?
B4 B5 B10 B6 -101.16(17) . . . . ?
C1 B5 B10 B11 -2.3(2) . . . . ?
B6 B5 B10 B11 37.94(16) . . . . ?
B9 B5 B10 B11 -100.25(18) . . . . ?
B4 B5 B10 B11 -63.2(2) . . . . ?
C1 B5 B10 B9 97.92(17) . . . . ?
B6 B5 B10 B9 138.19(17) . . . . ?
B4 B5 B10 B9 37.03(16) . . . . ?
C1 B5 B10 B12 60.7(2) . . . . ?
B6 B5 B10 B12 100.95(18) . . . . ?
B9 B5 B10 B12 -37.24(15) . . . . ?
B4 B5 B10 B12 -0.2(2) . . . . ?
B4 B9 B10 B6 -0.1(2) . . . . ?
B12 B9 B10 B6 -100.66(18) . . . . ?
B5 B9 B10 B6 37.34(15) . . . . ?
B8 B9 B10 B6 -63.5(2) . . . . ?
B4 B9 B10 B11 63.5(2) . . . . ?
B12 B9 B10 B11 -37.00(15) . . . . ?
B5 B9 B10 B11 101.00(18) . . . . ?
B8 B9 B10 B11 0.2(2) . . . . ?
B4 B9 B10 B5 -37.46(16) . . . . ?
B12 B9 B10 B5 -138.00(16) . . . . ?
B8 B9 B10 B5 -100.83(17) . . . . ?
B4 B9 B10 B12 100.55(18) . . . . ?
B5 B9 B10 B12 138.00(16) . . . . ?
B8 B9 B10 B12 37.17(16) . . . . ?
C1 C2 B11 B10 -1.4(2) . . . . ?
B7 C2 B11 B10 102.92(18) . . . . ?
B6 C2 B11 B10 -40.53(15) . . . . ?
B3 C2 B11 B10 66.4(2) . . . . ?
C1 C2 B11 B12 -64.11(19) . . . . ?
B7 C2 B11 B12 40.21(15) . . . . ?
B6 C2 B11 B12 -103.24(17) . . . . ?
B3 C2 B11 B12 3.6(2) . . . . ?
C1 C2 B11 B6 39.14(15) . . . . ?
B7 C2 B11 B6 143.45(17) . . . . ?
B3 C2 B11 B6 106.89(18) . . . . ?
C1 C2 B11 B7 -104.32(18) . . . . ?
B6 C2 B11 B7 -143.45(17) . . . . ?
B3 C2 B11 B7 -36.56(16) . . . . ?
B6 B10 B11 C2 40.08(15) . . . . ?
B5 B10 B11 C2 2.3(2) . . . . ?
B9 B10 B11 C2 -60.9(2) . . . . ?
B12 B10 B11 C2 -97.82(17) . . . . ?
B6 B10 B11 B12 137.91(17) . . . . ?
B5 B10 B11 B12 100.10(18) . . . . ?
B9 B10 B11 B12 36.96(15) . . . . ?
B5 B10 B11 B6 -37.81(16) . . . . ?
B9 B10 B11 B6 -100.95(18) . . . . ?
B12 B10 B11 B6 -137.91(17) . . . . ?
B6 B10 B11 B7 100.82(18) . . . . ?
B5 B10 B11 B7 63.0(2) . . . . ?
B9 B10 B11 B7 -0.1(2) . . . . ?
B12 B10 B11 B7 -37.09(15) . . . . ?
C1 B6 B11 C2 -34.95(14) . . . . ?
B10 B6 B11 C2 -133.27(17) . . . . ?
B5 B6 B11 C2 -95.40(17) . . . . ?
C2 B6 B11 B10 133.27(17) . . . . ?
C1 B6 B11 B10 98.32(17) . . . . ?
B5 B6 B11 B10 37.87(16) . . . . ?
C2 B6 B11 B12 95.31(17) . . . . ?
C1 B6 B11 B12 60.36(19) . . . . ?
B10 B6 B11 B12 -37.96(15) . . . . ?
B5 B6 B11 B12 -0.1(2) . . . . ?
C2 B6 B11 B7 32.17(15) . . . . ?
C1 B6 B11 B7 -2.8(2) . . . . ?
B10 B6 B11 B7 -101.10(18) . . . . ?
B5 B6 B11 B7 -63.2(2) . . . . ?
B12 B7 B11 C2 133.38(17) . . . . ?
B3 B7 B11 C2 33.25(15) . . . . ?
B8 B7 B11 C2 95.88(17) . . . . ?
C2 B7 B11 B10 -95.85(17) . . . . ?
B12 B7 B11 B10 37.53(16) . . . . ?
B3 B7 B11 B10 -62.6(2) . . . . ?
B8 B7 B11 B10 0.0(2) . . . . ?
C2 B7 B11 B12 -133.38(17) . . . . ?
B3 B7 B11 B12 -100.12(18) . . . . ?
B8 B7 B11 B12 -37.49(16) . . . . ?
C2 B7 B11 B6 -32.48(15) . . . . ?
B12 B7 B11 B6 100.90(18) . . . . ?
B3 B7 B11 B6 0.8(2) . . . . ?
B8 B7 B11 B6 63.4(2) . . . . ?
C2 B7 B12 B11 39.65(15) . . . . ?
B3 B7 B12 B11 101.63(17) . . . . ?
B8 B7 B12 B11 138.36(17) . . . . ?
C2 B7 B12 B9 -61.0(2) . . . . ?
B11 B7 B12 B9 -100.62(18) . . . . ?
B3 B7 B12 B9 1.0(2) . . . . ?
B8 B7 B12 B9 37.73(16) . . . . ?
C2 B7 B12 B8 -98.71(17) . . . . ?
B11 B7 B12 B8 -138.36(17) . . . . ?
B3 B7 B12 B8 -36.73(15) . . . . ?
C2 B7 B12 B10 2.6(2) . . . . ?
B11 B7 B12 B10 -37.05(16) . . . . ?
B3 B7 B12 B10 64.6(2) . . . . ?
B8 B7 B12 B10 101.31(18) . . . . ?
C2 B11 B12 B7 -39.46(15) . . . . ?
B10 B11 B12 B7 -138.45(17) . . . . ?
B6 B11 B12 B7 -100.85(17) . . . . ?
C2 B11 B12 B9 61.76(19) . . . . ?
B10 B11 B12 B9 -37.23(16) . . . . ?
B6 B11 B12 B9 0.4(2) . . . . ?
B7 B11 B12 B9 101.22(17) . . . . ?
C2 B11 B12 B8 -1.9(2) . . . . ?
B10 B11 B12 B8 -100.93(19) . . . . ?
B6 B11 B12 B8 -63.3(2) . . . . ?
B7 B11 B12 B8 37.51(16) . . . . ?
C2 B11 B12 B10 98.99(17) . . . . ?
B6 B11 B12 B10 37.60(15) . . . . ?
B7 B11 B12 B10 138.45(17) . . . . ?
B4 B9 B12 B7 -0.5(2) . . . . ?
B5 B9 B12 B7 63.4(2) . . . . ?
B10 B9 B12 B7 100.91(18) . . . . ?
B8 B9 B12 B7 -37.78(16) . . . . ?
B4 B9 B12 B11 -64.4(2) . . . . ?
B5 B9 B12 B11 -0.5(2) . . . . ?
B10 B9 B12 B11 37.05(16) . . . . ?
B8 B9 B12 B11 -101.65(17) . . . . ?
B4 B9 B12 B8 37.27(16) . . . . ?
B5 B9 B12 B8 101.14(17) . . . . ?
B10 B9 B12 B8 138.70(17) . . . . ?
B4 B9 B12 B10 -101.42(18) . . . . ?
B5 B9 B12 B10 -37.56(15) . . . . ?
B8 B9 B12 B10 -138.70(17) . . . . ?
B3 B8 B12 B7 37.35(15) . . . . ?
B4 B8 B12 B7 100.74(17) . . . . ?
B9 B8 B12 B7 137.92(17) . . . . ?
B3 B8 B12 B11 -0.2(2) . . . . ?
B4 B8 B12 B11 63.2(2) . . . . ?
B7 B8 B12 B11 -37.56(16) . . . . ?
B9 B8 B12 B11 100.36(18) . . . . ?
B3 B8 B12 B9 -100.57(18) . . . . ?
B4 B8 B12 B9 -37.18(16) . . . . ?
B7 B8 B12 B9 -137.92(17) . . . . ?
B3 B8 B12 B10 -63.5(2) . . . . ?
B4 B8 B12 B10 -0.1(2) . . . . ?
B7 B8 B12 B10 -100.84(18) . . . . ?
B9 B8 B12 B10 37.08(16) . . . . ?
B6 B10 B12 B7 -0.4(2) . . . . ?
B11 B10 B12 B7 37.37(16) . . . . ?
B5 B10 B12 B7 -63.7(2) . . . . ?
B9 B10 B12 B7 -100.98(18) . . . . ?
B6 B10 B12 B11 -37.73(15) . . . . ?
B5 B10 B12 B11 -101.03(18) . . . . ?
B9 B10 B12 B11 -138.35(17) . . . . ?
B6 B10 B12 B9 100.63(18) . . . . ?
B11 B10 B12 B9 138.35(17) . . . . ?
B5 B10 B12 B9 37.32(15) . . . . ?
B6 B10 B12 B8 63.5(2) . . . . ?
B11 B10 B12 B8 101.23(18) . . . . ?
B5 B10 B12 B8 0.2(2) . . . . ?
B9 B10 B12 B8 -37.13(16) . . . . ?
N1 N2 C3 C8 -25.2(3) . . . . ?
N1 N2 C3 C4 157.92(17) . . . . ?
C8 C3 C4 C5 2.8(3) . . . . ?
N2 C3 C4 C5 179.66(16) . . . . ?
C8 C3 C4 C9 -177.86(18) . . . . ?
N2 C3 C4 C9 -1.0(3) . . . . ?
C3 C4 C5 C6 -1.4(3) . . . . ?
C9 C4 C5 C6 179.27(18) . . . . ?
C4 C5 C6 C7 -1.0(3) . . . . ?
C5 C6 C7 C8 2.0(3) . . . . ?
C6 C7 C8 C3 -0.6(3) . . . . ?
C4 C3 C8 C7 -1.8(3) . . . . ?
N2 C3 C8 C7 -178.56(18) . . . . ?

_refine_diff_density_max         0.330
_refine_diff_density_min         -0.257
_refine_diff_density_rms         0.056

_shelxl_version_number           2014/6

