# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_2a
_database_code_depnum_ccdc_archive 'CCDC 2359952'
loop_
_audit_author_name
_audit_author_address
'Qing Ye'
;University of Wuerzburg
Germany
;
_audit_update_record             
;
2024-06-02 deposited with the CCDC.	2024-06-19 downloaded from the CCDC.
;
_audit_creation_date             2024-01-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_chemical_formula_moiety         '2(C22 H35 B21 Br P)'
_chemical_formula_sum            'C44 H70 B42 Br2 P2'
_chemical_formula_weight         1275.419
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
B 0.00156 0.00068 2.05450 1.33260 1.09790 0.70680 23.21850 1.02100 60.34980
0.14030 -0.19320 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
brennan
Br -0.38188 2.46625 17.17890 5.23580 5.63770 3.98510 2.17230 16.57960 0.26090
41.43280 2.95570 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
brennan
C 0.00313 0.00162 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.21560 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
brennan
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.00304 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
brennan
P 0.10265 0.09519 6.43450 4.17910 1.78000 1.49080 1.90670 27.15700 0.52600
68.16450 1.11490 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
brennan

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y,-z+1/2
3 -x,-y,-z
4 x,-y,z-1/2
5 x+1/2,y+1/2,z
6 -x+1/2,y+1/2,-z+1/2
7 -x+1/2,-y+1/2,-z
8 x+1/2,-y+1/2,z-1/2

_symmetry_Int_Tables_number      15
_cell_length_a                   22.582(5)
_cell_length_b                   18.782(3)
_cell_length_c                   16.656(6)
_cell_angle_alpha                90
_cell_angle_beta                 117.637(12)
_cell_angle_gamma                90
_cell_volume                     6258(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9245
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.72
_cell_measurement_theta_min      2.33
_exptl_absorpt_coefficient_mu    1.383
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.354
_exptl_crystal_description       block
_exptl_crystal_F_000             2576.164
_exptl_crystal_size_max          0.358
_exptl_crystal_size_mid          0.238
_exptl_crystal_size_min          0.171
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0211
_diffrn_reflns_Laue_measured_fraction_full 0.9988
_diffrn_reflns_Laue_measured_fraction_max 0.9989
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6413
_diffrn_reflns_point_group_measured_fraction_full 0.9988
_diffrn_reflns_point_group_measured_fraction_max 0.9989
_diffrn_reflns_theta_full        25.2417
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.33
_diffrn_ambient_temperature      100.00
_diffrn_measured_fraction_theta_full 0.9988
_diffrn_measured_fraction_theta_max 0.9989
_diffrn_measurement_device_type  'Bruker D8-Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              24
_reflns_limit_h_min              -28
_reflns_limit_k_max              23
_reflns_limit_k_min              0
_reflns_limit_l_max              20
_reflns_limit_l_min              0
_reflns_number_gt                6085
_reflns_number_total             6413
_reflns_threshold_expression     I>=2u(I)
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.3564
_refine_diff_density_min         -0.3837
_refine_diff_density_rms         0.0722
_refine_ls_d_res_high            0.8000
_refine_ls_d_res_low             8.7474
_refine_ls_goodness_of_fit_ref   1.0518
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    70
_refine_ls_number_parameters     407
_refine_ls_number_reflns         6413
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0318
_refine_ls_R_factor_gt           0.0287
_refine_ls_restrained_S_all      1.0518
_refine_ls_shift/su_max          -0.0005
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0267P)²+12.4950P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0725
_refine_ls_wR_factor_ref         0.0749
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.6605(10)
 0.3395(10)
2. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
3.a Aromatic/amide H refined with riding coordinates:
 C9(H9), C10(H10), C11(H11), C12(H12), C13(H13), C15(H15), C16(H16), C17(H17),
 C18(H18), C19(H19), C21(H21), C22(H22), C23(H23), C24(H24), C25(H25)
3.b Boron cage BH refined with riding coordinates:
 B26(H26), B27(H27), B28(H28), B29(H29), B30(H30), B31(H31), B32(H32),
 B33(H33), B34(H34), B35(H35), B36(H36), B37(H37), B38(H38), B39(H39), B40(H40),
  B41(H41), B42(H42), B43(H43), B44(H44), B45(H45)
;
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_refinement_flags_posn
B1 B 0.78170(11) 0.50071(12) 0.64953(16) 0.0120(4) Uani 1.000000 .
Br6 Br 0.803351(11) 0.506112(10) 0.543842(14) 0.01665(7) Uani 1.000000 .
P7 P 0.68028(3) 0.50654(3) 0.58647(3) 0.01098(11) Uani 1.000000 .
C2 C 0.81099(10) 0.42545(10) 0.70822(13) 0.0115(4) Uani 1.000000 .
C3 C 0.87046(10) 0.44717(10) 0.81158(13) 0.0123(4) Uani 1.000000 .
C4 C 0.87565(10) 0.52847(10) 0.82021(13) 0.0121(4) Uani 1.000000 .
C5 C 0.82167(10) 0.56588(10) 0.72272(14) 0.0124(4) Uani 1.000000 .
C8 C 0.64687(10) 0.58057(10) 0.50728(14) 0.0138(4) Uani 1.000000 .
C9 C 0.57733(11) 0.58398(11) 0.45313(14) 0.0172(4) Uani 1.000000 .
H9 H 0.54990(11) 0.54627(11) 0.45483(14) 0.0206(5) Uiso 1.000000 R
C10 C 0.54843(11) 0.64219(12) 0.39708(15) 0.0201(5) Uani 1.000000 .
H10 H 0.50126(11) 0.64467(12) 0.36147(15) 0.0241(5) Uiso 1.000000 R
C11 C 0.58835(12) 0.69670(12) 0.39303(16) 0.0240(5) Uani 1.000000 .
H11 H 0.56854(12) 0.73657(12) 0.35476(16) 0.0288(6) Uiso 1.000000 R
C12 C 0.65714(12) 0.69302(12) 0.44481(17) 0.0264(5) Uani 1.000000 .
H12 H 0.68445(12) 0.72998(12) 0.44101(17) 0.0317(6) Uiso 1.000000 R
C13 C 0.68655(11) 0.63531(11) 0.50253(15) 0.0203(5) Uani 1.000000 .
H13 H 0.73370(11) 0.63344(11) 0.53858(15) 0.0244(5) Uiso 1.000000 R
C14 C 0.64264(10) 0.42557(10) 0.52230(13) 0.0140(4) Uani 1.000000 .
C15 C 0.57983(11) 0.40381(11) 0.51036(15) 0.0181(4) Uani 1.000000 .
H15 H 0.55643(11) 0.43219(11) 0.53357(15) 0.0217(5) Uiso 1.000000 R
C16 C 0.55151(12) 0.34102(12) 0.46484(15) 0.0234(5) Uani 1.000000 .
H16 H 0.50879(12) 0.32668(12) 0.45693(15) 0.0280(6) Uiso 1.000000 R
C17 C 0.58530(13) 0.29907(12) 0.43081(15) 0.0244(5) Uani 1.000000 .
H17 H 0.56636(13) 0.25549(12) 0.40099(15) 0.0293(6) Uiso 1.000000 R
C18 C 0.64681(12) 0.32114(11) 0.44059(15) 0.0228(5) Uani 1.000000 .
H18 H 0.66958(12) 0.29282(11) 0.41636(15) 0.0273(6) Uiso 1.000000 R
C19 C 0.67568(11) 0.38418(11) 0.48537(14) 0.0176(4) Uani 1.000000 .
H19 H 0.71760(11) 0.39914(11) 0.49092(14) 0.0211(5) Uiso 1.000000 R
C20 C 0.64183(10) 0.51796(11) 0.66040(14) 0.0129(4) Uani 1.000000 .
C21 C 0.62010(10) 0.58515(11) 0.67185(14) 0.0152(4) Uani 1.000000 .
H21 H 0.62429(10) 0.62492(11) 0.63961(14) 0.0183(5) Uiso 1.000000 R
C22 C 0.59246(10) 0.59381(11) 0.73021(15) 0.0188(4) Uani 1.000000 .
H22 H 0.57783(10) 0.63960(11) 0.73771(15) 0.0226(5) Uiso 1.000000 R
C23 C 0.58597(11) 0.53621(12) 0.77775(14) 0.0199(4) Uani 1.000000 .
H23 H 0.56698(11) 0.54247(12) 0.81761(14) 0.0238(5) Uiso 1.000000 R
C24 C 0.60750(11) 0.46915(12) 0.76660(15) 0.0190(4) Uani 1.000000 .
H24 H 0.60358(11) 0.42969(12) 0.79951(15) 0.0228(5) Uiso 1.000000 R
C25 C 0.63450(10) 0.45966(11) 0.70803(14) 0.0154(4) Uani 1.000000 .
H25 H 0.64819(10) 0.41356(11) 0.69989(14) 0.0184(5) Uiso 1.000000 R
B26 B 0.89475(12) 0.40871(12) 0.73565(16) 0.0157(5) Uani 1.000000 .
H26 H 0.92192(12) 0.43691(12) 0.70328(16) 0.0188(5) Uiso 1.000000 R
B27 B 0.93532(12) 0.38716(12) 0.85273(17) 0.0173(5) Uani 1.000000 .
H27 H 0.98880(12) 0.40173(12) 0.89756(17) 0.0208(6) Uiso 1.000000 R
B28 B 0.79646(11) 0.41138(11) 0.80169(15) 0.0128(4) Uani 1.000000 .
H28 H 0.75826(11) 0.44163(11) 0.81305(15) 0.0154(5) Uiso 1.000000 R
B29 B 0.87494(11) 0.38879(12) 0.89367(16) 0.0148(4) Uani 1.000000 .
H29 H 0.88913(11) 0.40439(12) 0.96522(16) 0.0177(5) Uiso 1.000000 R
B30 B 0.83215(12) 0.34570(12) 0.67538(17) 0.0160(5) Uani 1.000000 .
H30 H 0.81740(12) 0.33244(12) 0.60299(17) 0.0192(5) Uiso 1.000000 R
B31 B 0.91061(12) 0.31973(12) 0.76737(17) 0.0181(5) Uani 1.000000 .
H31 H 0.94834(12) 0.28829(12) 0.75632(17) 0.0217(6) Uiso 1.000000 R
B32 B 0.77220(12) 0.34719(11) 0.71539(16) 0.0139(4) Uani 1.000000 .
H32 H 0.71839(12) 0.33493(11) 0.66917(16) 0.0167(5) Uiso 1.000000 R
B33 B 0.89875(12) 0.30594(13) 0.86498(17) 0.0176(5) Uani 1.000000 .
H33 H 0.92851(12) 0.26573(13) 0.91816(17) 0.0211(6) Uiso 1.000000 R
B34 B 0.81278(12) 0.32239(12) 0.83277(16) 0.0154(4) Uani 1.000000 .
H34 H 0.78588(12) 0.29304(12) 0.86467(16) 0.0185(5) Uiso 1.000000 R
B35 B 0.83525(12) 0.28030(12) 0.75497(17) 0.0165(5) Uani 1.000000 .
H35 H 0.82328(12) 0.22299(12) 0.73567(17) 0.0198(5) Uiso 1.000000 R
B36 B 0.80575(12) 0.57279(12) 0.81514(16) 0.0141(4) Uani 1.000000 .
H36 H 0.76243(12) 0.54637(12) 0.81836(16) 0.0169(5) Uiso 1.000000 R
B37 B 0.88539(12) 0.57805(12) 0.91215(16) 0.0163(5) Uani 1.000000 .
H37 H 0.89492(12) 0.55469(12) 0.97894(16) 0.0196(5) Uiso 1.000000 R
B38 B 0.90770(12) 0.57045(12) 0.75514(16) 0.0161(5) Uani 1.000000 .
H38 H 0.93192(12) 0.54272(12) 0.71843(16) 0.0194(6) Uiso 1.000000 R
B39 B 0.94794(12) 0.57668(13) 0.87522(17) 0.0171(5) Uani 1.000000 .
H39 H 0.99826(12) 0.55243(13) 0.91789(17) 0.0206(6) Uiso 1.000000 R
B40 B 0.85579(12) 0.64449(12) 0.70769(17) 0.0169(5) Uani 1.000000 .
H40 H 0.84526(12) 0.66535(12) 0.63935(17) 0.0202(6) Uiso 1.000000 R
B41 B 0.93550(12) 0.65355(12) 0.80558(18) 0.0196(5) Uani 1.000000 .
H41 H 0.97839(12) 0.68146(12) 0.80295(18) 0.0235(6) Uiso 1.000000 R
B42 B 0.79387(12) 0.64624(12) 0.74400(17) 0.0162(5) Uani 1.000000 .
H42 H 0.74296(12) 0.66842(12) 0.69946(17) 0.0195(6) Uiso 1.000000 R
B43 B 0.83446(12) 0.65591(12) 0.86476(17) 0.0177(5) Uani 1.000000 .
H43 H 0.81068(12) 0.68504(12) 0.90106(17) 0.0213(6) Uiso 1.000000 R
B44 B 0.86580(12) 0.70165(13) 0.79881(17) 0.0188(5) Uani 1.000000 .
H44 H 0.86262(12) 0.76101(13) 0.79156(17) 0.0226(6) Uiso 1.000000 R
B45 B 0.92248(12) 0.65936(13) 0.90240(17) 0.0189(5) Uani 1.000000 .
H45 H 0.95671(12) 0.69072(13) 0.96367(17) 0.0226(6) Uiso 1.000000 R


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
B1 Br6 2.036(2) . ?
B1 P7 2.032(2) . ?
B1 C2 1.671(3) . ?
B1 C5 1.667(3) . ?
P7 C8 1.822(2) . ?
P7 C14 1.826(2) . ?
P7 C20 1.819(2) . ?
C2 C3 1.670(3) . ?
C2 B26 1.756(3) . ?
C2 B28 1.754(3) . ?
C2 B30 1.736(3) . ?
C2 B32 1.743(3) . ?
C3 C4 1.533(3) . ?
C3 B26 1.751(3) . ?
C3 B27 1.719(3) . ?
C3 B28 1.737(3) . ?
C3 B29 1.719(3) . ?
C4 C5 1.667(3) . ?
C4 B36 1.752(3) . ?
C4 B37 1.717(3) . ?
C4 B38 1.746(3) . ?
C4 B39 1.714(3) . ?
C5 B36 1.741(3) . ?
C5 B38 1.761(3) . ?
C5 B40 1.737(3) . ?
C5 B42 1.733(3) . ?
C8 C9 1.403(3) . ?
C8 C13 1.390(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.388(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.386(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.385(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.396(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.399(3) . ?
C14 C19 1.402(3) . ?
C15 H15 0.9500 . ?
C15 C16 1.387(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.388(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.385(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.390(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.399(3) . ?
C20 C25 1.406(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.387(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.388(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.393(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.381(3) . ?
C25 H25 0.9500 . ?
B26 H26 1.1200 . ?
B26 B27 1.774(3) . ?
B26 B30 1.758(3) . ?
B26 B31 1.739(3) . ?
B27 H27 1.1200 . ?
B27 B29 1.786(3) . ?
B27 B31 1.789(3) . ?
B27 B33 1.791(3) . ?
B28 H28 1.1200 . ?
B28 B29 1.774(3) . ?
B28 B32 1.758(3) . ?
B28 B34 1.738(3) . ?
B29 H29 1.1200 . ?
B29 B33 1.782(3) . ?
B29 B34 1.798(3) . ?
B30 H30 1.1200 . ?
B30 B31 1.791(3) . ?
B30 B32 1.765(3) . ?
B30 B35 1.785(3) . ?
B31 H31 1.1200 . ?
B31 B33 1.785(4) . ?
B31 B35 1.778(3) . ?
B32 H32 1.1200 . ?
B32 B34 1.794(3) . ?
B32 B35 1.780(3) . ?
B33 H33 1.1200 . ?
B33 B34 1.785(3) . ?
B33 B35 1.791(3) . ?
B34 H34 1.1200 . ?
B34 B35 1.781(3) . ?
B35 H35 1.1200 . ?
B36 H36 1.1200 . ?
B36 B37 1.777(3) . ?
B36 B42 1.756(3) . ?
B36 B43 1.745(3) . ?
B37 H37 1.1200 . ?
B37 B39 1.783(3) . ?
B37 B43 1.801(3) . ?
B37 B45 1.785(3) . ?
B38 H38 1.1200 . ?
B38 B39 1.776(3) . ?
B38 B40 1.753(3) . ?
B38 B41 1.745(3) . ?
B39 H39 1.1200 . ?
B39 B41 1.791(3) . ?
B39 B45 1.786(3) . ?
B40 H40 1.1200 . ?
B40 B41 1.790(3) . ?
B40 B42 1.763(3) . ?
B40 B44 1.786(4) . ?
B41 H41 1.1200 . ?
B41 B44 1.772(4) . ?
B41 B45 1.772(4) . ?
B42 H42 1.1200 . ?
B42 B43 1.791(4) . ?
B42 B44 1.783(3) . ?
B43 H43 1.1200 . ?
B43 B44 1.780(4) . ?
B43 B45 1.786(3) . ?
B44 H44 1.1200 . ?
B44 B45 1.788(4) . ?
B45 H45 1.1200 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P7 B1 Br6 102.44(10) . . ?
C2 B1 Br6 111.06(13) . . ?
C2 B1 P7 113.17(13) . . ?
C5 B1 Br6 109.26(13) . . ?
C5 B1 P7 115.89(14) . . ?
C5 B1 C2 105.09(16) . . ?
C8 P7 B1 113.85(9) . . ?
C14 P7 B1 111.39(9) . . ?
C14 P7 C8 106.73(9) . . ?
C20 P7 B1 115.72(9) . . ?
C20 P7 C8 103.46(9) . . ?
C20 P7 C14 104.81(9) . . ?
C3 C2 B1 107.89(15) . . ?
B26 C2 B1 112.95(15) . . ?
B26 C2 C3 61.41(12) . . ?
B28 C2 B1 117.43(15) . . ?
B28 C2 C3 60.91(12) . . ?
B28 C2 B26 111.38(15) . . ?
B30 C2 B1 129.63(16) . . ?
B30 C2 C3 109.17(15) . . ?
B30 C2 B26 60.45(13) . . ?
B30 C2 B28 109.99(15) . . ?
B32 C2 B1 132.72(16) . . ?
B32 C2 C3 108.95(15) . . ?
B32 C2 B26 110.25(15) . . ?
B32 C2 B28 60.35(12) . . ?
B32 C2 B30 60.96(13) . . ?
C4 C3 C2 109.27(15) . . ?
B26 C3 C2 61.72(12) . . ?
B26 C3 C4 116.28(16) . . ?
B27 C3 C2 112.33(15) . . ?
B27 C3 C4 127.00(16) . . ?
B27 C3 B26 61.51(13) . . ?
B28 C3 C2 61.92(12) . . ?
B28 C3 C4 115.01(16) . . ?
B28 C3 B26 112.44(15) . . ?
B28 C3 B27 112.85(15) . . ?
B29 C3 C2 112.74(15) . . ?
B29 C3 C4 125.95(17) . . ?
B29 C3 B26 112.89(15) . . ?
B29 C3 B27 62.59(13) . . ?
B29 C3 B28 61.79(12) . . ?
C5 C4 C3 109.81(15) . . ?
B36 C4 C3 116.16(16) . . ?
B36 C4 C5 61.15(12) . . ?
B37 C4 C3 126.61(16) . . ?
B37 C4 C5 111.92(15) . . ?
B37 C4 B36 61.64(13) . . ?
B38 C4 C3 115.30(16) . . ?
B38 C4 C5 62.06(12) . . ?
B38 C4 B36 112.29(15) . . ?
B38 C4 B37 112.97(16) . . ?
B39 C4 C3 126.07(16) . . ?
B39 C4 C5 112.51(15) . . ?
B39 C4 B36 112.85(15) . . ?
B39 C4 B37 62.64(13) . . ?
B39 C4 B38 61.77(13) . . ?
C4 C5 B1 107.82(15) . . ?
B36 C5 B1 115.96(15) . . ?
B36 C5 C4 61.82(12) . . ?
B38 C5 B1 113.97(16) . . ?
B38 C5 C4 61.16(12) . . ?
B38 C5 B36 112.11(16) . . ?
B40 C5 B1 130.16(17) . . ?
B40 C5 C4 109.02(15) . . ?
B40 C5 B36 110.59(16) . . ?
B40 C5 B38 60.16(12) . . ?
B42 C5 B1 131.64(16) . . ?
B42 C5 C4 109.78(15) . . ?
B42 C5 B36 60.74(13) . . ?
B42 C5 B38 110.34(15) . . ?
B42 C5 B40 61.06(13) . . ?
C9 C8 P7 117.66(15) . . ?
C13 C8 P7 122.98(16) . . ?
C13 C8 C9 119.24(19) . . ?
H9 C9 C8 119.84(12) . . ?
C10 C9 C8 120.3(2) . . ?
C10 C9 H9 119.84(13) . . ?
H10 C10 C9 119.97(13) . . ?
C11 C10 C9 120.1(2) . . ?
C11 C10 H10 119.97(13) . . ?
H11 C11 C10 120.02(13) . . ?
C12 C11 C10 120.0(2) . . ?
C12 C11 H11 120.02(13) . . ?
H12 C12 C11 119.81(13) . . ?
C13 C12 C11 120.4(2) . . ?
C13 C12 H12 119.81(13) . . ?
C12 C13 C8 120.0(2) . . ?
H13 C13 C8 119.99(12) . . ?
H13 C13 C12 119.99(13) . . ?
C15 C14 P7 119.51(16) . . ?
C19 C14 P7 121.38(16) . . ?
C19 C14 C15 119.11(19) . . ?
H15 C15 C14 119.80(12) . . ?
C16 C15 C14 120.4(2) . . ?
C16 C15 H15 119.80(14) . . ?
H16 C16 C15 119.86(14) . . ?
C17 C16 C15 120.3(2) . . ?
C17 C16 H16 119.86(13) . . ?
H17 C17 C16 120.21(13) . . ?
C18 C17 C16 119.6(2) . . ?
C18 C17 H17 120.21(13) . . ?
H18 C18 C17 119.56(13) . . ?
C19 C18 C17 120.9(2) . . ?
C19 C18 H18 119.56(14) . . ?
C18 C19 C14 119.7(2) . . ?
H19 C19 C14 120.16(12) . . ?
H19 C19 C18 120.16(14) . . ?
C21 C20 P7 120.44(15) . . ?
C25 C20 P7 120.54(16) . . ?
C25 C20 C21 119.01(19) . . ?
H21 C21 C20 119.94(12) . . ?
C22 C21 C20 120.12(19) . . ?
C22 C21 H21 119.94(12) . . ?
H22 C22 C21 119.69(12) . . ?
C23 C22 C21 120.6(2) . . ?
C23 C22 H22 119.69(13) . . ?
H23 C23 C22 120.23(13) . . ?
C24 C23 C22 119.5(2) . . ?
C24 C23 H23 120.23(13) . . ?
H24 C24 C23 119.79(13) . . ?
C25 C24 C23 120.4(2) . . ?
C25 C24 H24 119.79(13) . . ?
C24 C25 C20 120.3(2) . . ?
H25 C25 C20 119.86(12) . . ?
H25 C25 C24 119.86(13) . . ?
C3 B26 C2 56.88(11) . . ?
H26 B26 C2 123.68(10) . . ?
H26 B26 C3 125.29(10) . . ?
B27 B26 C2 105.76(16) . . ?
B27 B26 C3 58.36(13) . . ?
B27 B26 H26 121.20(11) . . ?
B30 B26 C2 59.20(12) . . ?
B30 B26 C3 104.59(16) . . ?
B30 B26 H26 121.23(11) . . ?
B30 B26 B27 110.03(17) . . ?
B31 B26 C2 107.23(16) . . ?
B31 B26 C3 105.45(16) . . ?
B31 B26 H26 121.27(11) . . ?
B31 B26 B27 61.20(14) . . ?
B31 B26 B30 61.59(14) . . ?
B26 B27 C3 60.14(13) . . ?
H27 B27 C3 124.15(10) . . ?
H27 B27 B26 121.63(11) . . ?
B29 B27 C3 58.71(12) . . ?
B29 B27 B26 108.62(16) . . ?
B29 B27 H27 121.30(11) . . ?
B31 B27 C3 104.67(16) . . ?
B31 B27 B26 58.43(13) . . ?
B31 B27 H27 123.05(11) . . ?
B31 B27 B29 107.68(17) . . ?
B33 B27 C3 104.55(16) . . ?
B33 B27 B26 106.82(17) . . ?
B33 B27 H27 122.95(11) . . ?
B33 B27 B29 59.79(13) . . ?
B33 B27 B31 59.82(14) . . ?
C3 B28 C2 57.17(11) . . ?
H28 B28 C2 123.34(10) . . ?
H28 B28 C3 124.77(10) . . ?
B29 B28 C2 106.23(16) . . ?
B29 B28 C3 58.61(12) . . ?
B29 B28 H28 120.96(11) . . ?
B32 B28 C2 59.54(12) . . ?
B32 B28 C3 105.33(16) . . ?
B32 B28 H28 120.92(11) . . ?
B32 B28 B29 110.47(16) . . ?
B34 B28 C2 107.96(16) . . ?
B34 B28 C3 106.40(16) . . ?
B34 B28 H28 120.73(11) . . ?
B34 B28 B29 61.58(13) . . ?
B34 B28 B32 61.74(13) . . ?
B27 B29 C3 58.71(12) . . ?
B28 B29 C3 59.60(12) . . ?
B28 B29 B27 107.94(16) . . ?
H29 B29 C3 124.18(10) . . ?
H29 B29 B27 121.24(11) . . ?
H29 B29 B28 122.30(11) . . ?
B33 B29 C3 104.92(16) . . ?
B33 B29 B27 60.25(13) . . ?
B33 B29 B28 106.37(16) . . ?
B33 B29 H29 122.73(11) . . ?
B34 B29 C3 104.55(16) . . ?
B34 B29 B27 107.89(17) . . ?
B34 B29 B28 58.21(12) . . ?
B34 B29 H29 123.02(11) . . ?
B34 B29 B33 59.79(13) . . ?
B26 B30 C2 60.34(12) . . ?
H30 B30 C2 122.90(10) . . ?
H30 B30 B26 121.55(11) . . ?
B31 B30 C2 105.85(16) . . ?
B31 B30 B26 58.69(13) . . ?
B31 B30 H30 122.87(11) . . ?
B32 B30 C2 59.73(12) . . ?
B32 B30 B26 109.16(16) . . ?
B32 B30 H30 120.86(11) . . ?
B32 B30 B31 108.00(17) . . ?
B35 B30 C2 106.35(16) . . ?
B35 B30 B26 107.17(17) . . ?
B35 B30 H30 122.43(11) . . ?
B35 B30 B31 59.64(13) . . ?
B35 B30 B32 60.20(13) . . ?
B27 B31 B26 60.37(13) . . ?
B30 B31 B26 59.72(13) . . ?
B30 B31 B27 107.90(16) . . ?
H31 B31 B26 121.46(11) . . ?
H31 B31 B27 121.55(11) . . ?
H31 B31 B30 121.96(11) . . ?
B33 B31 B26 108.63(17) . . ?
B33 B31 B27 60.15(14) . . ?
B33 B31 B30 108.18(17) . . ?
B33 B31 H31 121.35(11) . . ?
B35 B31 B26 108.30(16) . . ?
B35 B31 B27 108.43(17) . . ?
B35 B31 B30 60.02(13) . . ?
B35 B31 H31 121.43(11) . . ?
B35 B31 B33 60.36(14) . . ?
B28 B32 C2 60.12(12) . . ?
B30 B32 C2 59.31(12) . . ?
B30 B32 B28 108.48(16) . . ?
H32 B32 C2 123.07(10) . . ?
H32 B32 B28 122.03(11) . . ?
H32 B32 B30 120.99(11) . . ?
B34 B32 C2 105.95(15) . . ?
B34 B32 B28 58.59(12) . . ?
B34 B32 B30 108.30(17) . . ?
B34 B32 H32 122.59(10) . . ?
B35 B32 C2 106.23(15) . . ?
B35 B32 B28 106.79(16) . . ?
B35 B32 B30 60.46(13) . . ?
B35 B32 H32 122.40(10) . . ?
B35 B32 B34 59.77(13) . . ?
B29 B33 B27 59.96(13) . . ?
B31 B33 B27 60.04(14) . . ?
B31 B33 B29 107.99(16) . . ?
H33 B33 B27 121.68(11) . . ?
H33 B33 B29 121.45(11) . . ?
H33 B33 B31 121.98(11) . . ?
B34 B33 B27 108.25(16) . . ?
B34 B33 B29 60.54(13) . . ?
B34 B33 B31 107.63(17) . . ?
B34 B33 H33 121.63(11) . . ?
B35 B33 B27 107.77(17) . . ?
B35 B33 B29 108.13(16) . . ?
B35 B33 B31 59.63(14) . . ?
B35 B33 H33 121.98(10) . . ?
B35 B33 B34 59.74(13) . . ?
B29 B34 B28 60.21(12) . . ?
B32 B34 B28 59.67(12) . . ?
B32 B34 B29 107.77(15) . . ?
B33 B34 B28 107.86(16) . . ?
B33 B34 B29 59.66(13) . . ?
B33 B34 B32 107.88(17) . . ?
H34 B34 B28 121.87(11) . . ?
H34 B34 B29 121.80(11) . . ?
H34 B34 B32 121.98(10) . . ?
H34 B34 B33 121.72(11) . . ?
B35 B34 B28 107.62(16) . . ?
B35 B34 B29 107.88(16) . . ?
B35 B34 B32 59.74(13) . . ?
B35 B34 B33 60.31(13) . . ?
B35 B34 H34 121.80(10) . . ?
B31 B35 B30 60.34(13) . . ?
B32 B35 B30 59.34(13) . . ?
B32 B35 B31 107.88(16) . . ?
B33 B35 B30 108.17(16) . . ?
B33 B35 B31 60.02(14) . . ?
B33 B35 B32 108.20(16) . . ?
B34 B35 B30 107.98(16) . . ?
B34 B35 B31 108.12(17) . . ?
B34 B35 B32 60.49(13) . . ?
B34 B35 B33 59.96(13) . . ?
H35 B35 B30 121.82(11) . . ?
H35 B35 B31 121.62(11) . . ?
H35 B35 B32 121.79(10) . . ?
H35 B35 B33 121.61(10) . . ?
H35 B35 B34 121.54(10) . . ?
C5 B36 C4 57.03(11) . . ?
H36 B36 C4 125.08(10) . . ?
H36 B36 C5 123.55(10) . . ?
B37 B36 C4 58.22(13) . . ?
B37 B36 C5 105.73(16) . . ?
B37 B36 H36 121.27(11) . . ?
B42 B36 C4 104.95(16) . . ?
B42 B36 C5 59.43(12) . . ?
B42 B36 H36 121.12(11) . . ?
B42 B36 B37 110.07(17) . . ?
B43 B36 C4 105.89(16) . . ?
B43 B36 C5 107.57(16) . . ?
B43 B36 H36 120.97(11) . . ?
B43 B36 B37 61.48(13) . . ?
B43 B36 B42 61.55(13) . . ?
B36 B37 C4 60.14(12) . . ?
H37 B37 C4 124.02(10) . . ?
H37 B37 B36 121.89(11) . . ?
B39 B37 C4 58.59(13) . . ?
B39 B37 B36 108.36(17) . . ?
B39 B37 H37 121.26(11) . . ?
B43 B37 C4 104.95(16) . . ?
B43 B37 B36 58.36(13) . . ?
B43 B37 H37 122.89(11) . . ?
B43 B37 B39 107.92(17) . . ?
B45 B37 C4 104.73(17) . . ?
B45 B37 B36 106.53(16) . . ?
B45 B37 H37 122.92(11) . . ?
B45 B37 B39 60.06(13) . . ?
B45 B37 B43 59.77(13) . . ?
C5 B38 C4 56.78(11) . . ?
H38 B38 C4 125.23(10) . . ?
H38 B38 C5 123.96(10) . . ?
B39 B38 C4 58.22(12) . . ?
B39 B38 C5 105.30(16) . . ?
B39 B38 H38 121.41(11) . . ?
B40 B38 C4 104.78(16) . . ?
B40 B38 C5 59.23(12) . . ?
B40 B38 H38 121.10(12) . . ?
B40 B38 B39 109.96(17) . . ?
B41 B38 C4 105.37(17) . . ?
B41 B38 C5 106.89(16) . . ?
B41 B38 H38 121.40(11) . . ?
B41 B38 B39 61.13(14) . . ?
B41 B38 B40 61.55(14) . . ?
B37 B39 C4 58.78(12) . . ?
B38 B39 C4 60.01(12) . . ?
B38 B39 B37 108.43(16) . . ?
H39 B39 C4 123.98(10) . . ?
H39 B39 B37 121.32(11) . . ?
H39 B39 B38 121.75(11) . . ?
B41 B39 C4 104.79(16) . . ?
B41 B39 B37 107.48(17) . . ?
B41 B39 B38 58.60(13) . . ?
B41 B39 H39 123.16(11) . . ?
B45 B39 C4 104.84(16) . . ?
B45 B39 B37 60.02(13) . . ?
B45 B39 B38 106.63(17) . . ?
B45 B39 H39 122.96(11) . . ?
B45 B39 B41 59.39(14) . . ?
B38 B40 C5 60.60(12) . . ?
H40 B40 C5 123.00(11) . . ?
H40 B40 B38 121.19(12) . . ?
B41 B40 C5 105.98(16) . . ?
B41 B40 B38 59.01(13) . . ?
B41 B40 H40 122.83(11) . . ?
B42 B40 C5 59.38(12) . . ?
B42 B40 B38 109.33(17) . . ?
B42 B40 H40 120.93(11) . . ?
B42 B40 B41 107.95(18) . . ?
B44 B40 C5 106.16(17) . . ?
B44 B40 B38 107.41(17) . . ?
B44 B40 H40 122.48(11) . . ?
B44 B40 B41 59.43(14) . . ?
B44 B40 B42 60.33(14) . . ?
B39 B41 B38 60.28(13) . . ?
B40 B41 B38 59.44(13) . . ?
B40 B41 B39 107.62(16) . . ?
H41 B41 B38 121.61(11) . . ?
H41 B41 B39 121.60(11) . . ?
H41 B41 B40 122.09(11) . . ?
B44 B41 B38 108.35(17) . . ?
B44 B41 B39 108.67(17) . . ?
B44 B41 B40 60.17(14) . . ?
B44 B41 H41 121.17(11) . . ?
B45 B41 B38 108.59(17) . . ?
B45 B41 B39 60.16(14) . . ?
B45 B41 B40 108.28(17) . . ?
B45 B41 H41 121.23(11) . . ?
B45 B41 B44 60.60(14) . . ?
B36 B42 C5 59.84(12) . . ?
B40 B42 C5 59.56(12) . . ?
B40 B42 B36 108.65(16) . . ?
H42 B42 C5 123.12(10) . . ?
H42 B42 B36 121.85(11) . . ?
H42 B42 B40 120.91(11) . . ?
B43 B42 C5 105.83(16) . . ?
B43 B42 B36 58.90(13) . . ?
B43 B42 B40 108.24(17) . . ?
B43 B42 H42 122.64(11) . . ?
B44 B42 C5 106.42(16) . . ?
B44 B42 B36 107.17(17) . . ?
B44 B42 B40 60.48(14) . . ?
B44 B42 H42 122.24(11) . . ?
B44 B42 B43 59.72(14) . . ?
B37 B43 B36 60.16(13) . . ?
B42 B43 B36 59.54(13) . . ?
B42 B43 B37 107.46(16) . . ?
H43 B43 B36 121.80(11) . . ?
H43 B43 B37 121.93(11) . . ?
H43 B43 B42 122.14(11) . . ?
B44 B43 B36 107.84(17) . . ?
B44 B43 B37 107.86(17) . . ?
B44 B43 B42 59.91(13) . . ?
B44 B43 H43 121.66(11) . . ?
B45 B43 B36 107.89(17) . . ?
B45 B43 B37 59.68(13) . . ?
B45 B43 B42 107.71(18) . . ?
B45 B43 H43 121.79(11) . . ?
B45 B43 B44 60.19(14) . . ?
B41 B44 B40 60.41(14) . . ?
B42 B44 B40 59.19(13) . . ?
B42 B44 B41 107.83(16) . . ?
B43 B44 B40 107.73(16) . . ?
B43 B44 B41 108.08(17) . . ?
B43 B44 B42 60.37(13) . . ?
H44 B44 B40 122.02(11) . . ?
H44 B44 B41 121.65(11) . . ?
H44 B44 B42 121.89(11) . . ?
H44 B44 B43 121.55(11) . . ?
B45 B44 B40 107.74(17) . . ?
B45 B44 B41 59.68(14) . . ?
B45 B44 B42 108.00(17) . . ?
B45 B44 B43 60.10(14) . . ?
B45 B44 H44 121.84(11) . . ?
B39 B45 B37 59.93(13) . . ?
B41 B45 B37 108.25(17) . . ?
B41 B45 B39 60.45(14) . . ?
B43 B45 B37 60.55(13) . . ?
B43 B45 B39 108.43(16) . . ?
B43 B45 B41 107.80(18) . . ?
B44 B45 B37 108.17(17) . . ?
B44 B45 B39 108.20(17) . . ?
B44 B45 B41 59.72(14) . . ?
B44 B45 B43 59.71(14) . . ?
H45 B45 B37 121.45(11) . . ?
H45 B45 B39 121.40(11) . . ?
H45 B45 B41 121.73(11) . . ?
H45 B45 B43 121.61(11) . . ?
H45 B45 B44 121.88(11) . . ?

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
B1 C2 C3 C4 3.25(16) . . . . ?
B1 C2 C3 B26 -106.9(2) . . . . ?
B1 C2 C3 B27 -143.14(15) . . . . ?
B1 C2 C3 B28 111.98(19) . . . . ?
B1 C2 C3 B29 148.43(15) . . . . ?
B1 C5 C4 C3 -0.78(17) . . . . ?
B1 C5 C4 B36 -110.4(2) . . . . ?
B1 C5 C4 B37 -146.70(15) . . . . ?
B1 C5 C4 B38 108.1(2) . . . . ?
B1 C5 C4 B39 144.99(15) . . . . ?
P7 C8 C9 C10 174.55(16) . . . . ?
P7 C8 C13 C12 -175.45(19) . . . . ?
P7 C14 C15 C16 -177.51(16) . . . . ?
P7 C14 C19 C18 177.00(16) . . . . ?
P7 C20 C21 C22 -178.27(16) . . . . ?
P7 C20 C25 C24 177.63(16) . . . . ?
C2 C3 C4 C5 -1.52(16) . . . . ?
C2 C3 C4 B36 65.24(16) . . . . ?
C2 C3 C4 B37 138.12(15) . . . . ?
C2 C3 C4 B38 -69.15(16) . . . . ?
C2 C3 C4 B39 -141.50(15) . . . . ?
C3 C4 C5 B36 109.7(2) . . . . ?
C3 C4 C5 B38 -108.8(2) . . . . ?
C3 C4 C5 B40 -146.61(16) . . . . ?
C3 C4 C5 B42 148.22(15) . . . . ?
C8 C9 C10 C11 1.3(3) . . . . ?
C8 C13 C12 C11 1.0(3) . . . . ?
C9 C10 C11 C12 0.1(3) . . . . ?
C10 C11 C12 C13 -1.3(3) . . . . ?
C14 C15 C16 C17 0.1(2) . . . . ?
C14 C19 C18 C17 0.9(2) . . . . ?
C15 C16 C17 C18 -1.6(3) . . . . ?
C16 C17 C18 C19 1.1(3) . . . . ?
C20 C21 C22 C23 -0.0(2) . . . . ?
C20 C25 C24 C23 1.3(2) . . . . ?
C21 C22 C23 C24 0.0(2) . . . . ?
C22 C23 C24 C25 -0.7(2) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.6605(10)
2 0.3395(10)
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
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data_5
_database_code_depnum_ccdc_archive 'CCDC 2359955'
loop_
_audit_author_name
_audit_author_address
'Qing Ye'
;University of Wuerzburg
Germany
;
_audit_update_record             
;
2024-06-02 deposited with the CCDC.	2024-06-19 downloaded from the CCDC.
;
_audit_creation_date             2022-05-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.04.26 svn.r3504 for OlexSys, GUI svn.r5492)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C4 H20 B21 Br1.34, C15 H40 B21 N2'
_chemical_formula_sum            'C19 H60 B42 Br1.35 N2'
_chemical_formula_weight         878.19
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.3887(13)
_cell_length_b                   12.963(2)
_cell_length_c                   29.552(3)
_cell_angle_alpha                90
_cell_angle_beta                 92.692(5)
_cell_angle_gamma                90
_cell_volume                     4740.5(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9952
_cell_measurement_temperature    100
_cell_measurement_theta_max      26.383
_cell_measurement_theta_min      2.275
_shelx_estimated_absorpt_T_max   0.891
_shelx_estimated_absorpt_T_min   0.798
_exptl_absorpt_coefficient_mu    1.183
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6567
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1253 before and 0.0787 after correction.
The Ratio of minimum to maximum transmission is 0.8810.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.230
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1780
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0943
_diffrn_reflns_av_unetI/netI     0.0403
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            129764
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.448
_diffrn_reflns_theta_min         2.091
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7894
_reflns_number_total             9751
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.388
_refine_diff_density_min         -0.261
_refine_diff_density_rms         0.055
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     594
_refine_ls_number_reflns         9751
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0517
_refine_ls_R_factor_gt           0.0371
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0505P)²+2.2939P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0954
_refine_ls_wR_factor_ref         0.1043
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C00B(H00B), C00F(H00F)
2.b Idealised Me refined as rotating group:
 C00E(H00A,H00C,H00D), C00J(H00E,H00G,H00H), C00K(H00I,H00J,H00K), C00L(H00L,
 H00M,H00N), C00M(H00O,H00P,H00Q), C00N(H00R,H00S,H00T)
2.c Boron cage BH refined with riding coordinates:
 B00O(H00U), B00P(H00V), B00Q(H00W), B00R(H1AA), B00S(H00X), B00T(H2AA),
 B00U(H00Y), B00V(H00Z), B00W(H3AA), B00X(H00), B00Y(H4AA), B00Z(H0AA),
 B01A(H01A), B01B(H01B), B01C(H01C), B01D(H01D), B01E(H01E), B01F(H01F),
 B01G(H01G), B01H(H01H), B01I(H01I), B01J(H01J), B01K(H01K), B01L(H01L),
 B01M(H01M), B01N(H01N), B01O(H01O), B01P(H01P), B01Q(H01Q), B01R(H01R),
 B01S(H01S), B01T(H01T), B010(H010), B011(H011), B012(H012), B014(H014),
 B015(H015), B016(H016), B017(H017), B019(H019)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Br01 Br 1.53386(2) 1.11534(2) 0.41675(2) 0.02324(11) Uani 0.6725(13) 1 d . . .
. .
Br02 Br 1.54091(2) 1.36011(2) 0.41298(2) 0.02373(11) Uani 0.6715(13) 1 d . . .
. .
N003 N 0.83622(11) 0.66500(11) 0.39590(4) 0.0128(3) Uani 1 1 d . . . . .
N004 N 0.82244(11) 0.83116(11) 0.38706(5) 0.0138(3) Uani 1 1 d . . . . .
C005 C 0.89272(14) 0.75167(12) 0.38824(5) 0.0119(3) Uani 1 1 d . . . . .
C006 C 0.72859(14) 0.68962(14) 0.39927(6) 0.0168(4) Uani 1 1 d . . . . .
C007 C 1.22326(14) 0.75477(12) 0.38724(6) 0.0120(3) Uani 1 1 d . . . . .
C008 C 1.33482(14) 1.24287(12) 0.41750(6) 0.0143(4) Uani 1 1 d . . . . .
C009 C 1.11252(14) 0.74187(12) 0.41586(5) 0.0122(3) Uani 1 1 d . . . . .
C00A C 0.72019(14) 0.79457(14) 0.39454(6) 0.0175(4) Uani 1 1 d . . . . .
C00B C 0.88634(14) 0.56007(13) 0.39679(6) 0.0157(4) Uani 1 1 d . . . . .
H00B H 0.966308 0.570590 0.396794 0.019 Uiso 1 1 calc R . . . .
C00C C 1.24252(14) 1.24371(12) 0.37498(6) 0.0138(3) Uani 1 1 d . . . . .
C00D C 1.19147(14) 0.75816(12) 0.33677(6) 0.0129(3) Uani 1 1 d . . . . .
C00E C 0.86429(16) 0.50069(14) 0.43957(6) 0.0213(4) Uani 1 1 d . . . . .
H00A H 0.875802 0.545961 0.465917 0.032 Uiso 1 1 calc GR . . . .
H00C H 0.913439 0.441566 0.442424 0.032 Uiso 1 1 calc GR . . . .
H00D H 0.789388 0.476161 0.438028 0.032 Uiso 1 1 calc GR . . . .
C00F C 0.85840(15) 0.94057(13) 0.38251(6) 0.0172(4) Uani 1 1 d . . . . .
H00F H 0.934931 0.938559 0.373196 0.021 Uiso 1 1 calc R . . . .
C00G C 1.06016(14) 0.78172(14) 0.33097(6) 0.0149(3) Uani 1 1 d . . . . .
C00H C 1.43062(15) 1.23520(13) 0.33941(6) 0.0171(4) Uani 1 1 d . . . . .
C00I C 1.29845(14) 1.23898(13) 0.32978(6) 0.0146(3) Uani 1 1 d . . . . .
C00J C 0.85900(16) 0.99535(14) 0.42813(6) 0.0232(4) Uani 1 1 d . . . . .
H00E H 0.784572 1.003918 0.437352 0.035 Uiso 1 1 calc GR . . . .
H00G H 0.892984 1.063226 0.425529 0.035 Uiso 1 1 calc GR . . . .
H00H H 0.899831 0.954140 0.450859 0.035 Uiso 1 1 calc GR . . . .
C00K C 0.79314(16) 0.99780(15) 0.34523(6) 0.0250(4) Uani 1 1 d . . . . .
H00I H 0.784989 0.953794 0.318325 0.037 Uiso 1 1 calc GR . . . .
H00J H 0.830952 1.061382 0.337533 0.037 Uiso 1 1 calc GR . . . .
H00K H 0.721633 1.014947 0.355926 0.037 Uiso 1 1 calc GR . . . .
C00L C 0.63985(16) 0.61430(15) 0.40554(7) 0.0267(4) Uani 1 1 d . . . . .
H00L H 0.637472 0.564613 0.380525 0.040 Uiso 1 1 calc GR . . . .
H00M H 0.570767 0.651044 0.405950 0.040 Uiso 1 1 calc GR . . . .
H00N H 0.652882 0.577663 0.434290 0.040 Uiso 1 1 calc GR . . . .
C00M C 0.62100(16) 0.85861(16) 0.39625(8) 0.0288(5) Uani 1 1 d . . . . .
H00O H 0.636326 0.919887 0.414886 0.043 Uiso 1 1 calc GR . . . .
H00P H 0.563499 0.818268 0.409496 0.043 Uiso 1 1 calc GR . . . .
H00Q H 0.597759 0.879923 0.365501 0.043 Uiso 1 1 calc GR . . . .
C00N C 0.85454(17) 0.50083(15) 0.35379(6) 0.0255(4) Uani 1 1 d . . . . .
H00R H 0.777398 0.484003 0.353526 0.038 Uiso 1 1 calc GR . . . .
H00S H 0.896754 0.437000 0.352813 0.038 Uiso 1 1 calc GR . . . .
H00T H 0.868989 0.543326 0.327322 0.038 Uiso 1 1 calc GR . . . .
B018 B 1.01597(16) 0.75925(13) 0.37956(6) 0.0121(4) Uani 1 1 d . . . . .
B00O B 1.31718(16) 0.83058(15) 0.41565(7) 0.0157(4) Uani 1 1 d . . . . .
H00U H 1.374237 0.883512 0.398708 0.019 Uiso 1 1 calc R . . . .
B00P B 1.17749(16) 0.86004(14) 0.41883(6) 0.0138(4) Uani 1 1 d . . . . .
H00V H 1.142303 0.933065 0.404238 0.017 Uiso 1 1 calc R . . . .
B00Q B 1.13884(16) 0.66956(15) 0.46434(6) 0.0161(4) Uani 1 1 d . . . . .
H00W H 1.078014 0.617702 0.479580 0.019 Uiso 1 1 calc R . . . .
B00R B 1.26381(17) 1.35635(15) 0.40650(7) 0.0162(4) Uani 1 1 d . . . . .
H1AA H 1.301862 1.428576 0.393882 0.019 Uiso 1 1 calc R . . . .
B00S B 1.28014(17) 0.63913(15) 0.46367(7) 0.0173(4) Uani 1 1 d . . . . .
H00X H 1.314266 0.566616 0.479196 0.021 Uiso 1 1 calc R . . . .
B00T B 1.28432(17) 1.17911(15) 0.46396(7) 0.0177(4) Uani 1 1 d . . . . .
H2AA H 1.336031 1.134432 0.489134 0.021 Uiso 1 1 calc R . . . .
B00U B 1.23572(17) 0.74283(15) 0.49789(7) 0.0169(4) Uani 1 1 d . . . . .
H00Y H 1.240867 0.738300 0.535775 0.020 Uiso 1 1 calc R . . . .
B00V B 1.12624(16) 0.80489(15) 0.46796(6) 0.0152(4) Uani 1 1 d . . . . .
H00Z H 1.057668 0.840549 0.485776 0.018 Uiso 1 1 calc R . . . .
B00W B 1.28933(17) 1.31486(15) 0.46247(7) 0.0182(4) Uani 1 1 d . . . . .
H3AA H 1.344358 1.358562 0.486746 0.022 Uiso 1 1 calc R . . . .
B00X B 1.25867(17) 0.86108(15) 0.46869(7) 0.0166(4) Uani 1 1 d . . . . .
H00 H 1.278813 0.934400 0.487273 0.020 Uiso 1 1 calc R . . . .
B00Y B 1.25696(17) 1.16735(17) 0.28347(7) 0.0187(4) Uani 1 1 d . . . . .
H4AA H 1.178440 1.124526 0.280399 0.022 Uiso 1 1 calc R . . . .
B00Z B 1.33083(16) 0.69334(15) 0.41267(7) 0.0169(4) Uani 1 1 d . . . . .
H0AA H 1.397459 0.657012 0.393886 0.020 Uiso 1 1 calc R . . . .
B01A B 1.37367(16) 1.34745(16) 0.31628(7) 0.0190(4) Uani 1 1 d . . . . .
H01A H 1.372779 1.423192 0.334490 0.023 Uiso 1 1 calc R . . . .
B01B B 1.15107(17) 0.87990(15) 0.31707(7) 0.0169(4) Uani 1 1 d . . . . .
H01B H 1.163223 0.954169 0.335992 0.020 Uiso 1 1 calc R . . . .
B01C B 1.26121(17) 1.30495(17) 0.28139(7) 0.0195(4) Uani 1 1 d . . . . .
H01C H 1.185581 1.351911 0.276896 0.023 Uiso 1 1 calc R . . . .
B01D B 1.35374(17) 0.75818(15) 0.46572(7) 0.0175(4) Uani 1 1 d . . . . .
H01D H 1.436531 0.763813 0.482465 0.021 Uiso 1 1 calc R . . . .
B01E B 1.49396(18) 1.29819(18) 0.29578(7) 0.0229(5) Uani 1 1 d . . . . .
H01E H 1.572468 1.340530 0.300603 0.028 Uiso 1 1 calc R . . . .
B01F B 1.16995(18) 1.25211(15) 0.47960(7) 0.0184(4) Uani 1 1 d . . . . .
H01F H 1.144638 1.255041 0.515461 0.022 Uiso 1 1 calc R . . . .
B01G B 1.36653(16) 1.12352(16) 0.31937(7) 0.0178(4) Uani 1 1 d . . . . .
H01G H 1.360813 1.050897 0.339649 0.021 Uiso 1 1 calc R . . . .
B01H B 1.21007(18) 0.74836(16) 0.24402(7) 0.0196(4) Uani 1 1 d . . . . .
H01H H 1.261690 0.736299 0.214359 0.023 Uiso 1 1 calc R . . . .
B01I B 1.14989(17) 1.14008(15) 0.44582(7) 0.0167(4) Uani 1 1 d . . . . .
H01I H 1.111356 1.068999 0.459338 0.020 Uiso 1 1 calc R . . . .
B01J B 1.00313(17) 0.72248(17) 0.28312(7) 0.0189(4) Uani 1 1 d . . . . .
H01J H 0.917646 0.694345 0.279828 0.023 Uiso 1 1 calc R . . . .
B01K B 1.48965(17) 1.16217(17) 0.29777(7) 0.0224(4) Uani 1 1 d . . . . .
H01K H 1.565502 1.116257 0.303926 0.027 Uiso 1 1 calc R . . . .
B01L B 1.11318(18) 0.65512(17) 0.25928(7) 0.0210(4) Uani 1 1 d . . . . .
H01L H 1.100979 0.581550 0.239834 0.025 Uiso 1 1 calc R . . . .
B01M B 1.03103(17) 0.85569(16) 0.28335(7) 0.0184(4) Uani 1 1 d . . . . .
H01M H 0.964014 0.913667 0.280598 0.022 Uiso 1 1 calc R . . . .
B01N B 1.37912(18) 1.11895(18) 0.26091(7) 0.0228(5) Uani 1 1 d . . . . .
H01N H 1.381435 1.044105 0.242037 0.027 Uiso 1 1 calc R . . . .
B01O B 1.15895(18) 0.87305(16) 0.25847(7) 0.0204(4) Uani 1 1 d . . . . .
H01O H 1.176769 0.943358 0.238088 0.024 Uiso 1 1 calc R . . . .
B01P B 1.10272(16) 0.65962(16) 0.31754(7) 0.0170(4) Uani 1 1 d . . . . .
H01P H 1.082611 0.588783 0.337142 0.020 Uiso 1 1 calc R . . . .
B01Q B 1.06887(18) 0.77651(17) 0.23680(7) 0.0215(4) Uani 1 1 d . . . . .
H01Q H 1.027880 0.783252 0.202334 0.026 Uiso 1 1 calc R . . . .
B01R B 1.31445(18) 1.23075(18) 0.23691(7) 0.0234(5) Uani 1 1 d . . . . .
H01R H 1.273945 1.229277 0.202222 0.028 Uiso 1 1 calc R . . . .
B01S B 1.38628(18) 1.34136(18) 0.25769(7) 0.0230(5) Uani 1 1 d . . . . .
H01S H 1.393355 1.412621 0.236602 0.028 Uiso 1 1 calc R . . . .
B01T B 1.45844(18) 1.22697(19) 0.24562(8) 0.0256(5) Uani 1 1 d . . . . .
H01T H 1.513232 1.222940 0.216584 0.031 Uiso 1 1 calc R . . . .
B010 B 1.12670(16) 1.17959(15) 0.38810(7) 0.0153(4) Uani 1 1 d . . . . .
H010 H 1.074579 1.134956 0.363063 0.018 Uiso 1 1 calc R . . . .
B011 B 1.07313(18) 1.25301(14) 0.43271(7) 0.0168(4) Uani 1 1 d . . . . .
H011 H 0.984074 1.256614 0.437522 0.020 Uiso 1 1 calc R . . . .
B012 B 1.26066(17) 0.81226(16) 0.29451(7) 0.0173(4) Uani 1 1 d . . . . .
H012 H 1.345411 0.841983 0.298789 0.021 Uiso 1 1 calc R . . . .
B013 B 1.45633(17) 1.23831(15) 0.39531(7) 0.0173(4) Uani 1 1 d . . . . .
B014 B 1.13272(16) 1.31721(15) 0.38652(7) 0.0163(4) Uani 1 1 d . . . . .
H014 H 1.084666 1.362599 0.360373 0.020 Uiso 1 1 calc R . . . .
B015 B 1.25513(16) 1.13350(14) 0.40884(6) 0.0148(4) Uani 1 1 d . . . . .
H015 H 1.287510 1.057418 0.397689 0.018 Uiso 1 1 calc R . . . .
B016 B 1.20047(16) 0.63659(15) 0.41342(7) 0.0153(4) Uani 1 1 d . . . . .
H016 H 1.181039 0.562329 0.395454 0.018 Uiso 1 1 calc R . . . .
B017 B 1.15852(17) 1.36123(15) 0.44351(7) 0.0176(4) Uani 1 1 d . . . . .
H017 H 1.125462 1.436284 0.455546 0.021 Uiso 1 1 calc R . . . .
B019 B 1.23317(17) 0.67662(16) 0.29522(7) 0.0180(4) Uani 1 1 d . . . . .
H019 H 1.299380 0.618337 0.300256 0.022 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Br01 B013 1.951(2) . ?
Br02 B013 1.952(2) . ?
N003 C005 1.348(2) . ?
N003 C006 1.379(2) . ?
N003 C00B 1.495(2) . ?
N004 C005 1.348(2) . ?
N004 C00A 1.380(2) . ?
N004 C00F 1.494(2) . ?
C005 B018 1.563(3) . ?
C006 C00A 1.371(3) . ?
C006 C00L 1.488(2) . ?
C007 C009 1.653(2) . ?
C007 C00D 1.525(2) . ?
C007 B00O 1.712(2) . ?
C007 B00P 1.762(2) . ?
C007 B00Z 1.697(2) . ?
C007 B016 1.745(2) . ?
C008 C00C 1.659(2) . ?
C008 B00R 1.737(2) . ?
C008 B00T 1.744(3) . ?
C008 B00W 1.739(3) . ?
C008 B013 1.671(3) . ?
C008 B015 1.740(2) . ?
C009 B018 1.585(2) . ?
C009 B00P 1.731(2) . ?
C009 B00Q 1.730(2) . ?
C009 B00V 1.744(2) . ?
C009 B016 1.750(2) . ?
C00A C00M 1.486(2) . ?
C00B C00E 1.516(2) . ?
C00B C00N 1.521(2) . ?
C00C C00I 1.535(2) . ?
C00C B00R 1.745(2) . ?
C00C B010 1.718(3) . ?
C00C B014 1.708(3) . ?
C00C B015 1.747(2) . ?
C00D C00G 1.656(2) . ?
C00D B01B 1.747(2) . ?
C00D B01P 1.762(3) . ?
C00D B012 1.699(3) . ?
C00D B019 1.718(2) . ?
C00F C00J 1.523(2) . ?
C00F C00K 1.528(2) . ?
C00G B018 1.588(2) . ?
C00G B01B 1.761(3) . ?
C00G B01J 1.731(3) . ?
C00G B01M 1.727(3) . ?
C00G B01P 1.721(3) . ?
C00H C00I 1.649(2) . ?
C00H B01A 1.743(3) . ?
C00H B01E 1.744(3) . ?
C00H B01G 1.741(3) . ?
C00H B01K 1.741(3) . ?
C00H B013 1.668(3) . ?
C00I B00Y 1.713(3) . ?
C00I B01A 1.743(3) . ?
C00I B01C 1.711(3) . ?
C00I B01G 1.752(3) . ?
B00O B00P 1.779(3) . ?
B00O B00X 1.801(3) . ?
B00O B00Z 1.790(3) . ?
B00O B01D 1.792(3) . ?
B00P B00V 1.763(3) . ?
B00P B00X 1.745(3) . ?
B00Q B00S 1.795(3) . ?
B00Q B00U 1.793(3) . ?
B00Q B00V 1.765(3) . ?
B00Q B016 1.771(3) . ?
B00R B00W 1.754(3) . ?
B00R B014 1.776(3) . ?
B00R B017 1.742(3) . ?
B00S B00U 1.784(3) . ?
B00S B00Z 1.802(3) . ?
B00S B01D 1.792(3) . ?
B00S B016 1.744(3) . ?
B00T B00W 1.762(3) . ?
B00T B01F 1.783(3) . ?
B00T B01I 1.798(3) . ?
B00T B015 1.755(3) . ?
B00U B00V 1.777(3) . ?
B00U B00X 1.788(3) . ?
B00U B01D 1.792(3) . ?
B00V B00X 1.794(3) . ?
B00W B01F 1.782(3) . ?
B00W B017 1.793(3) . ?
B00X B01D 1.784(3) . ?
B00Y B01C 1.786(3) . ?
B00Y B01G 1.776(3) . ?
B00Y B01N 1.795(3) . ?
B00Y B01R 1.780(3) . ?
B00Z B01D 1.790(3) . ?
B00Z B016 1.776(3) . ?
B01A B01C 1.781(3) . ?
B01A B01E 1.755(3) . ?
B01A B01S 1.748(3) . ?
B01B B01M 1.779(3) . ?
B01B B01O 1.741(3) . ?
B01B B012 1.772(3) . ?
B01C B01R 1.780(3) . ?
B01C B01S 1.793(3) . ?
B01E B01K 1.765(3) . ?
B01E B01S 1.794(3) . ?
B01E B01T 1.784(3) . ?
B01F B01I 1.773(3) . ?
B01F B011 1.789(3) . ?
B01F B017 1.773(3) . ?
B01G B01K 1.754(3) . ?
B01G B01N 1.743(3) . ?
B01H B01L 1.776(3) . ?
B01H B01O 1.795(3) . ?
B01H B01Q 1.790(3) . ?
B01H B012 1.794(3) . ?
B01H B019 1.788(3) . ?
B01I B010 1.791(3) . ?
B01I B011 1.778(3) . ?
B01I B015 1.742(3) . ?
B01J B01L 1.791(3) . ?
B01J B01M 1.761(3) . ?
B01J B01P 1.762(3) . ?
B01J B01Q 1.770(3) . ?
B01K B01N 1.799(3) . ?
B01K B01T 1.782(3) . ?
B01L B01P 1.734(3) . ?
B01L B01Q 1.784(3) . ?
B01L B019 1.808(3) . ?
B01M B01O 1.792(3) . ?
B01M B01Q 1.796(3) . ?
B01N B01R 1.787(3) . ?
B01N B01T 1.781(3) . ?
B01O B01Q 1.776(3) . ?
B01O B012 1.794(3) . ?
B01P B019 1.788(3) . ?
B01R B01S 1.781(3) . ?
B01R B01T 1.791(3) . ?
B01S B01T 1.776(3) . ?
B010 B011 1.779(3) . ?
B010 B014 1.786(3) . ?
B010 B015 1.781(3) . ?
B011 B014 1.788(3) . ?
B011 B017 1.777(3) . ?
B012 B019 1.791(3) . ?
B014 B017 1.793(3) . ?

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
C005 N003 C006 109.30(14) . . ?
C005 N003 C00B 122.86(14) . . ?
C006 N003 C00B 127.69(14) . . ?
C005 N004 C00A 109.24(14) . . ?
C005 N004 C00F 122.19(14) . . ?
C00A N004 C00F 128.34(14) . . ?
N003 C005 B018 126.77(14) . . ?
N004 C005 N003 107.55(15) . . ?
N004 C005 B018 125.60(14) . . ?
N003 C006 C00L 125.41(16) . . ?
C00A C006 N003 106.93(15) . . ?
C00A C006 C00L 127.63(16) . . ?
C009 C007 B00O 111.61(13) . . ?
C009 C007 B00P 60.79(10) . . ?
C009 C007 B00Z 112.28(13) . . ?
C009 C007 B016 61.91(10) . . ?
C00D C007 C009 108.71(13) . . ?
C00D C007 B00O 126.95(14) . . ?
C00D C007 B00P 114.90(13) . . ?
C00D C007 B00Z 127.43(14) . . ?
C00D C007 B016 114.78(13) . . ?
B00O C007 B00P 61.58(11) . . ?
B00O C007 B016 114.00(13) . . ?
B00Z C007 B00O 63.31(11) . . ?
B00Z C007 B00P 113.22(13) . . ?
B00Z C007 B016 62.08(11) . . ?
B016 C007 B00P 112.47(13) . . ?
C00C C008 B00R 61.81(10) . . ?
C00C C008 B00T 109.84(13) . . ?
C00C C008 B00W 109.79(13) . . ?
C00C C008 B013 107.74(13) . . ?
C00C C008 B015 61.81(10) . . ?
B00R C008 B00T 110.58(14) . . ?
B00R C008 B00W 60.60(11) . . ?
B00R C008 B015 112.56(14) . . ?
B00W C008 B00T 60.76(11) . . ?
B00W C008 B015 110.35(14) . . ?
B013 C008 B00R 114.47(13) . . ?
B013 C008 B00T 130.95(14) . . ?
B013 C008 B00W 130.47(14) . . ?
B013 C008 B015 115.40(13) . . ?
B015 C008 B00T 60.49(11) . . ?
C007 C009 B00P 62.71(10) . . ?
C007 C009 B00Q 110.47(13) . . ?
C007 C009 B00V 110.82(13) . . ?
C007 C009 B016 61.62(10) . . ?
B018 C009 C007 104.92(13) . . ?
B018 C009 B00P 104.06(13) . . ?
B018 C009 B00Q 138.10(14) . . ?
B018 C009 B00V 124.75(14) . . ?
B018 C009 B016 122.32(13) . . ?
B00P C009 B00V 60.98(10) . . ?
B00P C009 B016 113.79(13) . . ?
B00Q C009 B00P 111.61(13) . . ?
B00Q C009 B00V 61.05(11) . . ?
B00Q C009 B016 61.19(11) . . ?
B00V C009 B016 111.50(13) . . ?
N004 C00A C00M 125.47(16) . . ?
C006 C00A N004 106.95(15) . . ?
C006 C00A C00M 127.58(17) . . ?
N003 C00B C00E 112.69(14) . . ?
N003 C00B C00N 110.70(14) . . ?
C00E C00B C00N 113.00(15) . . ?
C008 C00C B00R 61.30(10) . . ?
C008 C00C B010 112.28(13) . . ?
C008 C00C B014 112.31(13) . . ?
C008 C00C B015 61.37(10) . . ?
C00I C00C C008 109.61(14) . . ?
C00I C00C B00R 115.78(14) . . ?
C00I C00C B010 126.38(14) . . ?
C00I C00C B014 126.33(14) . . ?
C00I C00C B015 115.71(13) . . ?
B00R C00C B015 111.80(13) . . ?
B010 C00C B00R 113.03(14) . . ?
B010 C00C B015 61.86(11) . . ?
B014 C00C B00R 61.88(11) . . ?
B014 C00C B010 62.84(12) . . ?
B014 C00C B015 113.11(14) . . ?
C007 C00D C00G 108.29(13) . . ?
C007 C00D B01B 114.12(13) . . ?
C007 C00D B01P 115.03(13) . . ?
C007 C00D B012 127.93(14) . . ?
C007 C00D B019 127.50(14) . . ?
C00G C00D B01B 62.25(11) . . ?
C00G C00D B01P 60.35(10) . . ?
C00G C00D B012 112.01(13) . . ?
C00G C00D B019 111.49(13) . . ?
B01B C00D B01P 112.50(13) . . ?
B012 C00D B01B 61.88(11) . . ?
B012 C00D B01P 113.01(13) . . ?
B012 C00D B019 63.23(11) . . ?
B019 C00D B01B 114.12(13) . . ?
B019 C00D B01P 61.80(11) . . ?
N004 C00F C00J 110.61(14) . . ?
N004 C00F C00K 112.07(15) . . ?
C00J C00F C00K 113.09(15) . . ?
C00D C00G B01B 61.41(10) . . ?
C00D C00G B01J 111.35(13) . . ?
C00D C00G B01M 110.70(13) . . ?
C00D C00G B01P 62.87(10) . . ?
B018 C00G C00D 104.56(13) . . ?
B018 C00G B01B 126.52(14) . . ?
B018 C00G B01J 120.85(14) . . ?
B018 C00G B01M 140.46(15) . . ?
B018 C00G B01P 99.34(13) . . ?
B01J C00G B01B 111.79(13) . . ?
B01M C00G B01B 61.32(11) . . ?
B01M C00G B01J 61.24(11) . . ?
B01P C00G B01B 113.88(13) . . ?
B01P C00G B01J 61.38(11) . . ?
B01P C00G B01M 112.17(13) . . ?
C00I C00H B01A 61.79(11) . . ?
C00I C00H B01E 109.64(13) . . ?
C00I C00H B01G 62.16(11) . . ?
C00I C00H B01K 109.93(14) . . ?
C00I C00H B013 108.17(14) . . ?
B01A C00H B01E 60.45(11) . . ?
B01G C00H B01A 113.01(14) . . ?
B01G C00H B01E 110.59(14) . . ?
B01K C00H B01A 110.64(14) . . ?
B01K C00H B01E 60.87(12) . . ?
B01K C00H B01G 60.49(11) . . ?
B013 C00H B01A 115.04(14) . . ?
B013 C00H B01E 130.50(15) . . ?
B013 C00H B01G 114.81(14) . . ?
B013 C00H B01K 130.26(15) . . ?
C00C C00I C00H 109.65(13) . . ?
C00C C00I B00Y 125.90(14) . . ?
C00C C00I B01A 115.79(14) . . ?
C00C C00I B01C 126.33(14) . . ?
C00C C00I B01G 115.33(13) . . ?
C00H C00I B00Y 112.33(14) . . ?
C00H C00I B01A 61.74(11) . . ?
C00H C00I B01C 112.68(14) . . ?
C00H C00I B01G 61.50(11) . . ?
B00Y C00I B01A 113.44(14) . . ?
B00Y C00I B01G 61.67(11) . . ?
B01A C00I B01G 112.45(14) . . ?
B01C C00I B00Y 62.87(12) . . ?
B01C C00I B01A 62.07(11) . . ?
B01C C00I B01G 113.16(14) . . ?
C005 B018 C009 126.30(15) . . ?
C005 B018 C00G 122.75(15) . . ?
C009 B018 C00G 110.91(15) . . ?
C007 B00O B00P 60.58(10) . . ?
C007 B00O B00X 105.11(14) . . ?
C007 B00O B00Z 57.93(10) . . ?
C007 B00O B01D 104.11(13) . . ?
B00P B00O B00X 58.32(11) . . ?
B00P B00O B00Z 108.08(13) . . ?
B00P B00O B01D 106.11(14) . . ?
B00Z B00O B00X 107.68(14) . . ?
B00Z B00O B01D 59.95(11) . . ?
B01D B00O B00X 59.54(11) . . ?
C007 B00P B00O 57.84(10) . . ?
C007 B00P B00V 105.05(13) . . ?
C009 B00P C007 56.50(9) . . ?
C009 B00P B00O 104.98(13) . . ?
C009 B00P B00V 59.90(10) . . ?
C009 B00P B00X 107.34(13) . . ?
B00V B00P B00O 110.20(14) . . ?
B00X B00P C007 105.45(13) . . ?
B00X B00P B00O 61.48(11) . . ?
B00X B00P B00V 61.53(11) . . ?
C009 B00Q B00S 104.82(13) . . ?
C009 B00Q B00U 105.44(13) . . ?
C009 B00Q B00V 59.87(10) . . ?
C009 B00Q B016 59.95(10) . . ?
B00U B00Q B00S 59.65(11) . . ?
B00V B00Q B00S 107.95(14) . . ?
B00V B00Q B00U 59.91(11) . . ?
B00V B00Q B016 109.53(13) . . ?
B016 B00Q B00S 58.55(11) . . ?
B016 B00Q B00U 107.07(14) . . ?
C008 B00R C00C 56.90(10) . . ?
C008 B00R B00W 59.77(11) . . ?
C008 B00R B014 105.52(13) . . ?
C008 B00R B017 107.51(14) . . ?
C00C B00R B00W 105.24(13) . . ?
C00C B00R B014 58.04(10) . . ?
B00W B00R B014 110.34(15) . . ?
B017 B00R C00C 105.46(14) . . ?
B017 B00R B00W 61.73(12) . . ?
B017 B00R B014 61.26(11) . . ?
B00Q B00S B00Z 107.56(13) . . ?
B00U B00S B00Q 60.10(11) . . ?
B00U B00S B00Z 107.99(14) . . ?
B00U B00S B01D 60.14(11) . . ?
B01D B00S B00Q 107.77(14) . . ?
B01D B00S B00Z 59.72(11) . . ?
B016 B00S B00Q 60.04(11) . . ?
B016 B00S B00U 108.63(14) . . ?
B016 B00S B00Z 60.06(11) . . ?
B016 B00S B01D 108.16(14) . . ?
C008 B00T B00W 59.49(10) . . ?
C008 B00T B01F 105.75(13) . . ?
C008 B00T B01I 105.08(13) . . ?
C008 B00T B015 59.64(10) . . ?
B00W B00T B01F 60.37(11) . . ?
B00W B00T B01I 107.87(14) . . ?
B01F B00T B01I 59.36(11) . . ?
B015 B00T B00W 108.62(13) . . ?
B015 B00T B01F 106.73(14) . . ?
B015 B00T B01I 58.72(11) . . ?
B00S B00U B00Q 60.25(11) . . ?
B00S B00U B00X 108.18(14) . . ?
B00S B00U B01D 60.14(11) . . ?
B00V B00U B00Q 59.27(11) . . ?
B00V B00U B00S 107.92(14) . . ?
B00V B00U B00X 60.44(11) . . ?
B00V B00U B01D 107.97(14) . . ?
B00X B00U B00Q 107.74(13) . . ?
B00X B00U B01D 59.78(11) . . ?
B01D B00U B00Q 107.89(14) . . ?
C009 B00V B00P 59.12(10) . . ?
C009 B00V B00Q 59.08(10) . . ?
C009 B00V B00U 105.53(13) . . ?
C009 B00V B00X 104.58(13) . . ?
B00P B00V B00Q 108.46(13) . . ?
B00P B00V B00U 107.31(14) . . ?
B00P B00V B00X 58.73(11) . . ?
B00Q B00V B00U 60.82(11) . . ?
B00Q B00V B00X 108.71(14) . . ?
B00U B00V B00X 60.10(11) . . ?
C008 B00W B00R 59.63(10) . . ?
C008 B00W B00T 59.75(10) . . ?
C008 B00W B01F 105.97(13) . . ?
C008 B00W B017 105.17(13) . . ?
B00R B00W B00T 108.96(13) . . ?
B00R B00W B01F 107.01(14) . . ?
B00R B00W B017 58.82(11) . . ?
B00T B00W B01F 60.40(11) . . ?
B00T B00W B017 108.07(14) . . ?
B01F B00W B017 59.46(12) . . ?
B00P B00X B00O 60.20(11) . . ?
B00P B00X B00U 107.61(14) . . ?
B00P B00X B00V 59.75(11) . . ?
B00P B00X B01D 107.97(14) . . ?
B00U B00X B00O 108.14(14) . . ?
B00U B00X B00V 59.46(11) . . ?
B00V B00X B00O 107.79(13) . . ?
B01D B00X B00O 59.98(11) . . ?
B01D B00X B00U 60.21(11) . . ?
B01D B00X B00V 107.54(14) . . ?
C00I B00Y B01C 58.52(11) . . ?
C00I B00Y B01G 60.25(11) . . ?
C00I B00Y B01N 105.05(14) . . ?
C00I B00Y B01R 104.57(14) . . ?
B01C B00Y B01N 108.04(15) . . ?
B01G B00Y B01C 108.49(14) . . ?
B01G B00Y B01N 58.42(12) . . ?
B01G B00Y B01R 106.69(15) . . ?
B01R B00Y B01C 59.91(12) . . ?
B01R B00Y B01N 59.96(12) . . ?
C007 B00Z B00O 58.76(10) . . ?
C007 B00Z B00S 104.84(14) . . ?
C007 B00Z B01D 104.86(13) . . ?
C007 B00Z B016 60.28(10) . . ?
B00O B00Z B00S 108.00(14) . . ?
B00O B00Z B01D 60.10(11) . . ?
B01D B00Z B00S 59.85(11) . . ?
B016 B00Z B00O 108.85(13) . . ?
B016 B00Z B00S 58.35(11) . . ?
B016 B00Z B01D 106.90(14) . . ?
C00H B01A C00I 56.47(10) . . ?
C00H B01A B01C 105.07(14) . . ?
C00H B01A B01E 59.80(12) . . ?
C00H B01A B01S 107.31(15) . . ?
C00I B01A B01C 58.07(11) . . ?
C00I B01A B01E 104.91(15) . . ?
C00I B01A B01S 105.31(15) . . ?
B01E B01A B01C 109.97(15) . . ?
B01S B01A B01C 61.08(12) . . ?
B01S B01A B01E 61.62(12) . . ?
C00D B01B C00G 56.34(10) . . ?
C00D B01B B01M 104.25(14) . . ?
C00D B01B B012 57.72(10) . . ?
C00G B01B B01M 58.40(11) . . ?
C00G B01B B012 103.88(13) . . ?
B01O B01B C00D 104.88(14) . . ?
B01O B01B C00G 105.16(14) . . ?
B01O B01B B01M 61.21(12) . . ?
B01O B01B B012 61.38(12) . . ?
B012 B01B B01M 109.70(14) . . ?
C00I B01C B00Y 58.62(10) . . ?
C00I B01C B01A 59.86(11) . . ?
C00I B01C B01R 104.62(15) . . ?
C00I B01C B01S 104.71(14) . . ?
B00Y B01C B01S 107.68(15) . . ?
B01A B01C B00Y 108.22(14) . . ?
B01A B01C B01S 58.53(12) . . ?
B01R B01C B00Y 59.88(12) . . ?
B01R B01C B01A 106.72(15) . . ?
B01R B01C B01S 59.80(12) . . ?
B00S B01D B00O 108.33(14) . . ?
B00S B01D B00U 59.72(11) . . ?
B00U B01D B00O 108.37(14) . . ?
B00X B01D B00O 60.48(11) . . ?
B00X B01D B00S 108.02(15) . . ?
B00X B01D B00U 60.00(11) . . ?
B00X B01D B00Z 108.43(14) . . ?
B00Z B01D B00O 59.95(11) . . ?
B00Z B01D B00S 60.43(11) . . ?
B00Z B01D B00U 108.22(14) . . ?
C00H B01E B01A 59.74(11) . . ?
C00H B01E B01K 59.48(11) . . ?
C00H B01E B01S 105.23(14) . . ?
C00H B01E B01T 105.67(15) . . ?
B01A B01E B01K 108.92(15) . . ?
B01A B01E B01S 58.98(12) . . ?
B01A B01E B01T 107.14(15) . . ?
B01K B01E B01S 108.04(15) . . ?
B01K B01E B01T 60.27(13) . . ?
B01T B01E B01S 59.53(13) . . ?
B00T B01F B011 108.35(14) . . ?
B00W B01F B00T 59.23(12) . . ?
B00W B01F B011 108.19(14) . . ?
B01I B01F B00T 60.75(11) . . ?
B01I B01F B00W 108.08(14) . . ?
B01I B01F B011 59.90(11) . . ?
B01I B01F B017 108.04(14) . . ?
B017 B01F B00T 108.04(15) . . ?
B017 B01F B00W 60.59(12) . . ?
B017 B01F B011 59.83(11) . . ?
C00H B01G C00I 56.34(10) . . ?
C00H B01G B00Y 105.11(14) . . ?
C00H B01G B01K 59.73(12) . . ?
C00H B01G B01N 107.74(15) . . ?
C00I B01G B00Y 58.07(11) . . ?
C00I B01G B01K 104.71(14) . . ?
B01K B01G B00Y 110.15(15) . . ?
B01N B01G C00I 105.63(14) . . ?
B01N B01G B00Y 61.33(12) . . ?
B01N B01G B01K 61.91(12) . . ?
B01L B01H B01O 107.59(15) . . ?
B01L B01H B01Q 60.05(12) . . ?
B01L B01H B012 108.48(14) . . ?
B01L B01H B019 60.95(12) . . ?
B01Q B01H B01O 59.40(12) . . ?
B01Q B01H B012 107.84(14) . . ?
B012 B01H B01O 59.98(11) . . ?
B019 B01H B01O 108.14(14) . . ?
B019 B01H B01Q 108.88(14) . . ?
B019 B01H B012 60.02(11) . . ?
B01F B01I B00T 59.89(12) . . ?
B01F B01I B010 108.29(13) . . ?
B01F B01I B011 60.51(11) . . ?
B010 B01I B00T 107.96(14) . . ?
B011 B01I B00T 108.16(14) . . ?
B011 B01I B010 59.80(11) . . ?
B015 B01I B00T 59.40(11) . . ?
B015 B01I B01F 107.70(14) . . ?
B015 B01I B010 60.52(11) . . ?
B015 B01I B011 108.17(14) . . ?
C00G B01J B01L 104.40(14) . . ?
C00G B01J B01M 59.28(11) . . ?
C00G B01J B01P 59.03(10) . . ?
C00G B01J B01Q 105.74(14) . . ?
B01M B01J B01L 109.07(15) . . ?
B01M B01J B01P 108.62(14) . . ?
B01M B01J B01Q 61.16(12) . . ?
B01P B01J B01L 58.41(11) . . ?
B01P B01J B01Q 107.12(15) . . ?
B01Q B01J B01L 60.15(12) . . ?
C00H B01K B01E 59.65(11) . . ?
C00H B01K B01G 59.78(11) . . ?
C00H B01K B01N 105.33(14) . . ?
C00H B01K B01T 105.89(15) . . ?
B01E B01K B01N 108.32(15) . . ?
B01E B01K B01T 60.39(13) . . ?
B01G B01K B01E 109.01(15) . . ?
B01G B01K B01N 58.75(11) . . ?
B01G B01K B01T 107.00(15) . . ?
B01T B01K B01N 59.66(12) . . ?
B01H B01L B01J 107.70(15) . . ?
B01H B01L B01Q 60.35(12) . . ?
B01H B01L B019 59.83(12) . . ?
B01J B01L B019 108.29(14) . . ?
B01P B01L B01H 108.19(14) . . ?
B01P B01L B01J 59.95(11) . . ?
B01P B01L B01Q 107.70(15) . . ?
B01P B01L B019 60.59(11) . . ?
B01Q B01L B01J 59.34(12) . . ?
B01Q B01L B019 108.23(15) . . ?
C00G B01M B01B 60.28(11) . . ?
C00G B01M B01J 59.48(11) . . ?
C00G B01M B01O 104.42(14) . . ?
C00G B01M B01Q 104.76(14) . . ?
B01B B01M B01O 58.37(11) . . ?
B01B B01M B01Q 106.76(15) . . ?
B01J B01M B01B 109.51(14) . . ?
B01J B01M B01O 107.38(15) . . ?
B01J B01M B01Q 59.66(12) . . ?
B01O B01M B01Q 59.33(12) . . ?
B00Y B01N B01K 107.29(15) . . ?
B01G B01N B00Y 60.25(11) . . ?
B01G B01N B01K 59.34(12) . . ?
B01G B01N B01R 107.85(15) . . ?
B01G B01N B01T 107.50(15) . . ?
B01R B01N B00Y 59.59(12) . . ?
B01R B01N B01K 107.59(16) . . ?
B01T B01N B00Y 107.71(16) . . ?
B01T B01N B01K 59.69(12) . . ?
B01T B01N B01R 60.27(13) . . ?
B01B B01O B01H 108.62(14) . . ?
B01B B01O B01M 60.43(11) . . ?
B01B B01O B01Q 109.32(15) . . ?
B01B B01O B012 60.16(11) . . ?
B01M B01O B01H 108.25(15) . . ?
B01M B01O B012 108.13(14) . . ?
B01Q B01O B01H 60.16(12) . . ?
B01Q B01O B01M 60.44(12) . . ?
B01Q B01O B012 108.45(15) . . ?
B012 B01O B01H 59.98(12) . . ?
C00D B01P B019 57.88(10) . . ?
C00G B01P C00D 56.78(10) . . ?
C00G B01P B01J 59.59(11) . . ?
C00G B01P B01L 107.34(14) . . ?
C00G B01P B019 105.30(14) . . ?
B01J B01P C00D 105.10(14) . . ?
B01J B01P B019 110.53(14) . . ?
B01L B01P C00D 105.67(14) . . ?
B01L B01P B01J 61.64(12) . . ?
B01L B01P B019 61.75(12) . . ?
B01H B01Q B01M 108.30(14) . . ?
B01J B01Q B01H 108.05(15) . . ?
B01J B01Q B01L 60.52(12) . . ?
B01J B01Q B01M 59.18(11) . . ?
B01J B01Q B01O 107.71(14) . . ?
B01L B01Q B01H 59.60(12) . . ?
B01L B01Q B01M 107.80(14) . . ?
B01O B01Q B01H 60.44(12) . . ?
B01O B01Q B01L 108.06(15) . . ?
B01O B01Q B01M 60.23(12) . . ?
B00Y B01R B01C 60.20(12) . . ?
B00Y B01R B01N 60.45(12) . . ?
B00Y B01R B01S 108.46(15) . . ?
B00Y B01R B01T 107.95(15) . . ?
B01C B01R B01N 108.66(15) . . ?
B01C B01R B01S 60.47(12) . . ?
B01C B01R B01T 108.04(15) . . ?
B01N B01R B01T 59.71(13) . . ?
B01S B01R B01N 107.98(15) . . ?
B01S B01R B01T 59.63(13) . . ?
B01A B01S B01C 60.39(12) . . ?
B01A B01S B01E 59.40(12) . . ?
B01A B01S B01R 108.15(15) . . ?
B01A B01S B01T 107.81(15) . . ?
B01C B01S B01E 107.67(15) . . ?
B01R B01S B01C 59.74(12) . . ?
B01R B01S B01E 108.06(16) . . ?
B01T B01S B01C 108.12(16) . . ?
B01T B01S B01E 59.94(13) . . ?
B01T B01S B01R 60.46(13) . . ?
B01E B01T B01R 108.09(16) . . ?
B01K B01T B01E 59.35(12) . . ?
B01K B01T B01R 108.15(15) . . ?
B01N B01T B01E 108.28(15) . . ?
B01N B01T B01K 60.65(12) . . ?
B01N B01T B01R 60.02(13) . . ?
B01S B01T B01E 60.53(13) . . ?
B01S B01T B01K 108.10(15) . . ?
B01S B01T B01N 108.45(16) . . ?
B01S B01T B01R 59.91(13) . . ?
C00C B010 B01I 104.77(13) . . ?
C00C B010 B011 104.65(13) . . ?
C00C B010 B014 58.31(10) . . ?
C00C B010 B015 59.86(10) . . ?
B011 B010 B01I 59.74(11) . . ?
B011 B010 B014 60.18(11) . . ?
B011 B010 B015 106.43(14) . . ?
B014 B010 B01I 107.79(13) . . ?
B015 B010 B01I 58.38(11) . . ?
B015 B010 B014 107.84(13) . . ?
B01I B011 B01F 59.59(11) . . ?
B01I B011 B010 60.46(11) . . ?
B01I B011 B014 108.29(14) . . ?
B010 B011 B01F 108.08(14) . . ?
B010 B011 B014 60.10(11) . . ?
B014 B011 B01F 107.97(15) . . ?
B017 B011 B01F 59.63(11) . . ?
B017 B011 B01I 107.64(15) . . ?
B017 B011 B010 108.40(14) . . ?
B017 B011 B014 60.38(11) . . ?
C00D B012 B01B 60.39(11) . . ?
C00D B012 B01H 104.60(14) . . ?
C00D B012 B01O 104.67(14) . . ?
C00D B012 B019 58.90(10) . . ?
B01B B012 B01H 107.30(15) . . ?
B01B B012 B01O 58.46(11) . . ?
B01B B012 B019 109.37(14) . . ?
B01O B012 B01H 60.04(12) . . ?
B019 B012 B01H 59.82(11) . . ?
B019 B012 B01O 108.03(14) . . ?
Br01 B013 Br02 108.90(10) . . ?
C008 B013 Br01 109.89(12) . . ?
C008 B013 Br02 110.39(12) . . ?
C00H B013 Br01 111.71(12) . . ?
C00H B013 Br02 111.08(12) . . ?
C00H B013 C008 104.83(14) . . ?
C00C B014 B00R 60.08(11) . . ?
C00C B014 B010 58.86(10) . . ?
C00C B014 B011 104.72(13) . . ?
C00C B014 B017 104.86(14) . . ?
B00R B014 B010 108.38(13) . . ?
B00R B014 B011 106.44(14) . . ?
B00R B014 B017 58.45(11) . . ?
B010 B014 B011 59.72(11) . . ?
B010 B014 B017 107.41(13) . . ?
B011 B014 B017 59.51(11) . . ?
C008 B015 C00C 56.82(10) . . ?
C008 B015 B00T 59.87(11) . . ?
C008 B015 B01I 107.70(13) . . ?
C008 B015 B010 105.60(13) . . ?
C00C B015 B00T 105.38(13) . . ?
C00C B015 B010 58.28(10) . . ?
B00T B015 B010 110.37(14) . . ?
B01I B015 C00C 105.65(13) . . ?
B01I B015 B00T 61.88(12) . . ?
B01I B015 B010 61.10(11) . . ?
C007 B016 C009 56.47(9) . . ?
C007 B016 B00Q 104.47(13) . . ?
C007 B016 B00Z 57.64(10) . . ?
C009 B016 B00Q 58.86(10) . . ?
C009 B016 B00Z 104.23(13) . . ?
B00Q B016 B00Z 109.82(14) . . ?
B00S B016 C007 105.31(13) . . ?
B00S B016 C009 106.18(13) . . ?
B00S B016 B00Q 61.41(11) . . ?
B00S B016 B00Z 61.59(11) . . ?
B00R B017 B00W 59.45(11) . . ?
B00R B017 B01F 107.91(14) . . ?
B00R B017 B011 108.40(14) . . ?
B00R B017 B014 60.29(11) . . ?
B01F B017 B00W 59.95(12) . . ?
B01F B017 B011 60.54(12) . . ?
B01F B017 B014 108.47(14) . . ?
B011 B017 B00W 108.25(14) . . ?
B011 B017 B014 60.11(11) . . ?
B014 B017 B00W 107.79(14) . . ?
C00D B019 B01H 104.09(14) . . ?
C00D B019 B01L 104.37(14) . . ?
C00D B019 B01P 60.31(10) . . ?
C00D B019 B012 57.88(10) . . ?
B01H B019 B01L 59.22(12) . . ?
B01H B019 B01P 105.36(14) . . ?
B01H B019 B012 60.16(11) . . ?
B01P B019 B01L 57.65(11) . . ?
B01P B019 B012 107.52(14) . . ?
B012 B019 B01L 107.22(14) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3a
_database_code_depnum_ccdc_archive 'CCDC 2359953'
loop_
_audit_author_name
_audit_author_address
'Qing Ye'
;University of Wuerzburg
Germany
;
_audit_update_record             
;
2024-06-02 deposited with the CCDC.	2024-06-19 downloaded from the CCDC.
;

_audit_creation_method           'CIF-fill 1.4m (K.Radacki, 2005-23)'
_audit_creation_date             2023-08-04
_shelx_SHELXL_version_number     2019/1
_chemical_formula_moiety         'C14 H31 B21 Br N'
_chemical_formula_sum            'C14 H31 B21 Br N'
_chemical_formula_weight         520.32
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'
Br Br -0.2901 2.4595 '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                   7.326(2)
_cell_length_b                   12.897(4)
_cell_length_c                   14.448(4)
_cell_angle_alpha                76.466(9)
_cell_angle_beta                 85.047(10)
_cell_angle_gamma                89.247(9)
_cell_volume                     1322.2(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9985
_cell_measurement_theta_min      2.79
_cell_measurement_theta_max      27.57
_cell_special_details            
;
 Uncertainties of the unit cell parameters were calculated as standard 
 deviations of 32 cells obtained from a subset of all reflections. These sets 
 of reflections were selected using the Monte Carlo method.
;

_exptl_crystal_description       plate
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.307
_exptl_crystal_F_000             524
_exptl_crystal_size_max          0.301
_exptl_crystal_size_mid          0.216
_exptl_crystal_size_min          0.191
_exptl_absorpt_coefficient_mu    1.564
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6387
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'SADABS 2016/2 (Bruker AXS)'
_exptl_absorpt_special_details   
;
 Incident beam scaling, empirical absorption correction using spherical 
 harmonics, and outlier rejection was employed as implemented in SADABS. 
 Additional spherical absorption correction with mu*r value set to 0.2 was 
 applied.
;
_exptl_crystal_preparation       
;
 For data collection the crystal was immersed in a film of perfluoropolyether 
 oil, mounted on a polyimide loop and transferred to stream of cold nitrogen 
 (Oxford Cryostream 800).
;
_shelx_estimated_absorpt_T_min   0.650
_shelx_estimated_absorpt_T_max   0.754
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_xray_symbol    K-L~2,3~
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Incoatec ImS 2.0'
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8-Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_orient_matrix_type       
;
 Sparks R.A., Computational Crystallography p1-18 (Clarendon Press, 1982)
;
_diffrn_orient_matrix_UB_11      0,0100925
_diffrn_orient_matrix_UB_12      -0,0656519
_diffrn_orient_matrix_UB_13      -0,0256349
_diffrn_orient_matrix_UB_21      -0,1211674
_diffrn_orient_matrix_UB_22      0,0159609
_diffrn_orient_matrix_UB_23      -0,0270033
_diffrn_orient_matrix_UB_31      0,0631596
_diffrn_orient_matrix_UB_32      0,0423734
_diffrn_orient_matrix_UB_33      -0,0609853
_diffrn_detector                 CPA
_diffrn_detector_type            'Photon II'
_diffrn_detector_area_resol_mean 7.5
_diffrn_reflns_number            39789
_diffrn_reflns_av_unetI/netI     0.0314
_diffrn_reflns_av_R_equivalents  0.0530
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.911
_diffrn_reflns_theta_max         27.103
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_standards_number         0
_reflns_number_total             5841
_reflns_number_gt                5320
_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       'BIS 6.2.14 / APEX4 ver. 2021.10 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. 8.40B (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 8.40B (Bruker AXS)'
_computing_structure_solution    "SHELXT 2014/5 (Sheldrick, 2014)'"
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_molecular_graphics    'ShelXLe (Huebschle et all, 2011)'
_computing_publication_material  'SHELXL-2019/1 (Sheldrick, 2019)'

_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)+(0.0341P)²+0.6842P] where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5841
_refine_ls_number_parameters     337
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0329
_refine_ls_R_factor_gt           0.0282
_refine_ls_wR_factor_ref         0.0742
_refine_ls_wR_factor_gt          0.0718
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_restrained_S_all      1.054
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.289
_refine_diff_density_min         -0.310
_refine_diff_density_rms         0.058
_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_
_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
B1 B 0.1395(3) 0.72952(14) 0.29831(14) 0.0177(4) Uani 1 1 d . . . . .
Br6 Br -0.10160(2) 0.65490(2) 0.30493(2) 0.02243(6) Uani 1 1 d . . . . .
C2 C 0.2156(2) 0.72241(13) 0.40365(12) 0.0174(3) Uani 1 1 d . . . . .
C3 C 0.2758(2) 0.84402(13) 0.40744(12) 0.0176(3) Uani 1 1 d . . . . .
C4 C 0.2301(2) 0.92254(13) 0.31479(12) 0.0182(3) Uani 1 1 d . . . . .
C5 C 0.1434(2) 0.85683(13) 0.24307(12) 0.0182(3) Uani 1 1 d . . . . .
C7 C 0.2753(2) 0.66429(13) 0.24024(12) 0.0189(3) Uani 1 1 d . . . . .
N8 N 0.36818(19) 0.61334(11) 0.20119(10) 0.0191(3) Uani 1 1 d . . . . .
C9 C 0.4761(2) 0.54269(13) 0.15937(12) 0.0174(3) Uani 1 1 d . . . . .
C10 C 0.6225(2) 0.58435(13) 0.09318(12) 0.0197(3) Uani 1 1 d . . . . .
C11 C 0.7263(2) 0.51046(14) 0.05505(12) 0.0213(3) Uani 1 1 d . . . . .
H11 H 0.825795 0.535228 0.008735 0.026 Uiso 1 1 calc R U . . .
C12 C 0.6887(2) 0.40138(14) 0.08278(12) 0.0214(3) Uani 1 1 d . . . . .
C13 C 0.5398(2) 0.36492(13) 0.14937(12) 0.0209(3) Uani 1 1 d . . . . .
H13 H 0.514092 0.290579 0.168154 0.025 Uiso 1 1 calc R U . . .
C14 C 0.4286(2) 0.43426(13) 0.18876(12) 0.0196(3) Uani 1 1 d . . . . .
C15 C 0.2656(3) 0.39716(14) 0.25888(14) 0.0265(4) Uani 1 1 d . . . . .
H15A H 0.258953 0.319081 0.274305 0.040 Uiso 1 1 calc R U . . .
H15B H 0.153589 0.426552 0.230705 0.040 Uiso 1 1 calc R U . . .
H15C H 0.278080 0.421652 0.317337 0.040 Uiso 1 1 calc R U . . .
C16 C 0.6645(3) 0.70167(14) 0.06471(14) 0.0261(4) Uani 1 1 d . . . . .
H16A H 0.764568 0.715503 0.013725 0.039 Uiso 1 1 calc R U . . .
H16B H 0.701166 0.725480 0.120076 0.039 Uiso 1 1 calc R U . . .
H16C H 0.555276 0.740625 0.041750 0.039 Uiso 1 1 calc R U . . .
C17 C 0.8076(3) 0.32310(15) 0.04277(15) 0.0299(4) Uani 1 1 d . . . . .
H17A H 0.734569 0.260155 0.042287 0.045 Uiso 1 1 calc R U . . .
H17B H 0.909571 0.301559 0.082618 0.045 Uiso 1 1 calc R U . . .
H17C H 0.856013 0.356748 -0.022607 0.045 Uiso 1 1 calc R U . . .
B18 B 0.4479(3) 0.75215(16) 0.39440(14) 0.0203(4) Uani 1 1 d . . . . .
H18 H 0.541855 0.756275 0.328220 0.024 Uiso 1 1 calc R U . . .
B19 B 0.4696(3) 0.84380(16) 0.46666(14) 0.0216(4) Uani 1 1 d . . . . .
H19 H 0.575448 0.908921 0.448252 0.026 Uiso 1 1 calc R U . . .
B20 B 0.2474(3) 0.86371(16) 0.52091(14) 0.0211(4) Uani 1 1 d . . . . .
H20 H 0.208640 0.941912 0.537895 0.025 Uiso 1 1 calc R U . . .
B21 B 0.0861(3) 0.78421(15) 0.48220(14) 0.0189(4) Uani 1 1 d . . . . .
H21 H -0.059789 0.809380 0.474605 0.023 Uiso 1 1 calc R U . . .
B22 B 0.3625(3) 0.62919(15) 0.46346(14) 0.0209(4) Uani 1 1 d . . . . .
H22 H 0.397603 0.552299 0.442990 0.025 Uiso 1 1 calc R U . . .
B23 B 0.5256(3) 0.70512(17) 0.50684(15) 0.0232(4) Uani 1 1 d . . . . .
H23 H 0.670102 0.678112 0.516554 0.028 Uiso 1 1 calc R U . . .
B24 B 0.4032(3) 0.77334(16) 0.58628(15) 0.0235(4) Uani 1 1 d . . . . .
H24 H 0.467367 0.791647 0.648295 0.028 Uiso 1 1 calc R U . . .
B25 B 0.1678(3) 0.73729(15) 0.59451(14) 0.0216(4) Uani 1 1 d . . . . .
H25 H 0.077356 0.731666 0.662097 0.026 Uiso 1 1 calc R U . . .
B26 B 0.1426(3) 0.64818(15) 0.51753(14) 0.0206(4) Uani 1 1 d . . . . .
H26 H 0.035255 0.583998 0.532373 0.025 Uiso 1 1 calc R U . . .
B27 B 0.3382(3) 0.64016(16) 0.58461(15) 0.0225(4) Uani 1 1 d . . . . .
H27 H 0.359610 0.570446 0.645380 0.027 Uiso 1 1 calc R U . . .
B28 B 0.3624(3) 0.91176(15) 0.21038(14) 0.0205(4) Uani 1 1 d . . . . .
H28 H 0.490535 0.863810 0.207947 0.025 Uiso 1 1 calc R U . . .
B29 B 0.3575(3) 1.03076(15) 0.25205(14) 0.0213(4) Uani 1 1 d . . . . .
H29 H 0.481271 1.061147 0.278047 0.026 Uiso 1 1 calc R U . . .
B30 B 0.1321(3) 1.04546(15) 0.30579(15) 0.0224(4) Uani 1 1 d . . . . .
H30 H 0.109237 1.085294 0.366847 0.027 Uiso 1 1 calc R U . . .
B31 B -0.0044(3) 0.93525(15) 0.29726(15) 0.0205(4) Uani 1 1 d . . . . .
H31 H -0.119218 0.902814 0.352383 0.025 Uiso 1 1 calc R U . . .
B32 B 0.2045(3) 0.91861(16) 0.12489(14) 0.0230(4) Uani 1 1 d . . . . .
H32 H 0.226858 0.874530 0.066705 0.028 Uiso 1 1 calc R U . . .
B33 B 0.3384(3) 1.03264(16) 0.12848(15) 0.0239(4) Uani 1 1 d . . . . .
H33 H 0.449951 1.066124 0.071716 0.029 Uiso 1 1 calc R U . . .
B34 B 0.1961(3) 1.11607(16) 0.18589(15) 0.0244(4) Uani 1 1 d . . . . .
H34 H 0.214227 1.204837 0.167062 0.029 Uiso 1 1 calc R U . . .
B35 B -0.0250(3) 1.05648(16) 0.21481(15) 0.0240(4) Uani 1 1 d . . . . .
H35 H -0.152170 1.105593 0.214984 0.029 Uiso 1 1 calc R U . . .
B36 B -0.0181(3) 0.93341(15) 0.17691(15) 0.0225(4) Uani 1 1 d . . . . .
H36 H -0.140117 0.899434 0.152348 0.027 Uiso 1 1 calc R U . . .
B37 B 0.1034(3) 1.04776(16) 0.10630(15) 0.0245(4) Uani 1 1 d . . . . .
H37 H 0.060675 1.091012 0.034935 0.029 Uiso 1 1 calc R U . . .


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
B1 C7 1.602(2) . ?
B1 C2 1.648(3) . ?
B1 C5 1.649(2) . ?
B1 Br6 2.0070(19) . ?
C2 C3 1.649(2) . ?
C2 B22 1.730(3) . ?
C2 B18 1.737(3) . ?
C2 B26 1.742(3) . ?
C2 B21 1.744(2) . ?
C3 C4 1.538(2) . ?
C3 B20 1.712(3) . ?
C3 B19 1.719(3) . ?
C3 B18 1.747(2) . ?
C3 B21 1.753(2) . ?
C4 C5 1.653(2) . ?
C4 B30 1.713(3) . ?
C4 B29 1.714(2) . ?
C4 B28 1.754(2) . ?
C4 B31 1.758(3) . ?
C5 B32 1.730(3) . ?
C5 B31 1.733(2) . ?
C5 B36 1.735(3) . ?
C5 B28 1.744(2) . ?
C7 N8 1.144(2) . ?
N8 C9 1.406(2) . ?
C9 C10 1.397(2) . ?
C9 C14 1.402(2) . ?
C10 C11 1.395(2) . ?
C10 C16 1.501(2) . ?
C11 C12 1.394(2) . ?
C11 H11 0.9500 . ?
C12 C13 1.399(2) . ?
C12 C17 1.508(2) . ?
C13 C14 1.388(2) . ?
C13 H13 0.9500 . ?
C14 C15 1.503(2) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
B18 B23 1.738(3) . ?
B18 B22 1.755(3) . ?
B18 B19 1.767(3) . ?
B18 H18 1.1200 . ?
B19 B24 1.784(3) . ?
B19 B20 1.787(3) . ?
B19 B23 1.800(3) . ?
B19 H19 1.1200 . ?
B20 B21 1.782(3) . ?
B20 B24 1.785(3) . ?
B20 B25 1.799(3) . ?
B20 H20 1.1200 . ?
B21 B25 1.748(3) . ?
B21 B26 1.763(3) . ?
B21 H21 1.1200 . ?
B22 B26 1.769(3) . ?
B22 B27 1.782(3) . ?
B22 B23 1.796(3) . ?
B22 H22 1.1200 . ?
B23 B24 1.781(3) . ?
B23 B27 1.781(3) . ?
B23 H23 1.1200 . ?
B24 B25 1.778(3) . ?
B24 B27 1.795(3) . ?
B24 H24 1.1200 . ?
B25 B27 1.778(3) . ?
B25 B26 1.798(3) . ?
B25 H25 1.1200 . ?
B26 B27 1.787(3) . ?
B26 H26 1.1200 . ?
B27 H27 1.1200 . ?
B28 B33 1.740(3) . ?
B28 B32 1.751(3) . ?
B28 B29 1.774(3) . ?
B28 H28 1.1200 . ?
B29 B34 1.786(3) . ?
B29 B30 1.790(3) . ?
B29 B33 1.797(3) . ?
B29 H29 1.1200 . ?
B30 B31 1.782(3) . ?
B30 B34 1.784(3) . ?
B30 B35 1.801(3) . ?
B30 H30 1.1200 . ?
B31 B35 1.743(3) . ?
B31 B36 1.756(3) . ?
B31 H31 1.1200 . ?
B32 B36 1.763(3) . ?
B32 B37 1.785(3) . ?
B32 B33 1.792(3) . ?
B32 H32 1.1200 . ?
B33 B37 1.778(3) . ?
B33 B34 1.781(3) . ?
B33 H33 1.1200 . ?
B34 B35 1.776(3) . ?
B34 B37 1.784(3) . ?
B34 H34 1.1200 . ?
B35 B37 1.783(3) . ?
B35 B36 1.795(3) . ?
B35 H35 1.1200 . ?
B36 B37 1.784(3) . ?
B36 H36 1.1200 . ?
B37 H37 1.1200 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C7 B1 C2 108.65(14) . . ?
C7 B1 C5 109.89(14) . . ?
C2 B1 C5 106.47(13) . . ?
C7 B1 Br6 102.84(11) . . ?
C2 B1 Br6 113.68(11) . . ?
C5 B1 Br6 115.15(12) . . ?
B1 C2 C3 107.44(13) . . ?
B1 C2 B22 127.92(13) . . ?
C3 C2 B22 110.69(13) . . ?
B1 C2 B18 111.91(13) . . ?
C3 C2 B18 62.06(10) . . ?
B22 C2 B18 60.83(11) . . ?
B1 C2 B26 131.99(13) . . ?
C3 C2 B26 110.63(13) . . ?
B22 C2 B26 61.26(11) . . ?
B18 C2 B26 111.24(13) . . ?
B1 C2 B21 117.39(13) . . ?
C3 C2 B21 62.14(10) . . ?
B22 C2 B21 111.30(13) . . ?
B18 C2 B21 113.19(13) . . ?
B26 C2 B21 60.76(11) . . ?
C4 C3 C2 109.22(13) . . ?
C4 C3 B20 127.06(14) . . ?
C2 C3 B20 112.05(13) . . ?
C4 C3 B19 126.99(13) . . ?
C2 C3 B19 111.77(13) . . ?
B20 C3 B19 62.76(11) . . ?
C4 C3 B18 115.63(13) . . ?
C2 C3 B18 61.42(10) . . ?
B20 C3 B18 112.58(14) . . ?
B19 C3 B18 61.31(11) . . ?
C4 C3 B21 115.24(13) . . ?
C2 C3 B21 61.57(10) . . ?
B20 C3 B21 61.89(11) . . ?
B19 C3 B21 113.18(13) . . ?
B18 C3 B21 112.22(13) . . ?
C3 C4 C5 109.78(13) . . ?
C3 C4 B30 126.39(14) . . ?
C5 C4 B30 111.66(14) . . ?
C3 C4 B29 127.02(14) . . ?
C5 C4 B29 111.77(13) . . ?
B30 C4 B29 62.98(11) . . ?
C3 C4 B28 116.06(13) . . ?
C5 C4 B28 61.49(10) . . ?
B30 C4 B28 112.95(13) . . ?
B29 C4 B28 61.52(11) . . ?
C3 C4 B31 115.22(13) . . ?
C5 C4 B31 60.97(10) . . ?
B30 C4 B31 61.77(11) . . ?
B29 C4 B31 113.02(13) . . ?
B28 C4 B31 111.85(13) . . ?
B1 C5 C4 106.96(13) . . ?
B1 C5 B32 130.55(14) . . ?
C4 C5 B32 110.40(12) . . ?
B1 C5 B31 114.19(13) . . ?
C4 C5 B31 62.49(10) . . ?
B32 C5 B31 111.31(13) . . ?
B1 C5 B36 130.38(14) . . ?
C4 C5 B36 110.79(13) . . ?
B32 C5 B36 61.16(11) . . ?
B31 C5 B36 60.83(11) . . ?
B1 C5 B28 114.55(13) . . ?
C4 C5 B28 62.09(10) . . ?
B32 C5 B28 60.53(11) . . ?
B31 C5 B28 113.57(13) . . ?
B36 C5 B28 111.09(13) . . ?
N8 C7 B1 176.74(17) . . ?
C7 N8 C9 174.86(17) . . ?
C10 C9 C14 124.81(15) . . ?
C10 C9 N8 118.45(15) . . ?
C14 C9 N8 116.73(15) . . ?
C11 C10 C9 115.96(15) . . ?
C11 C10 C16 122.19(15) . . ?
C9 C10 C16 121.84(15) . . ?
C12 C11 C10 122.03(16) . . ?
C12 C11 H11 119.0 . . ?
C10 C11 H11 119.0 . . ?
C11 C12 C13 119.10(15) . . ?
C11 C12 C17 120.76(16) . . ?
C13 C12 C17 120.14(16) . . ?
C14 C13 C12 121.87(16) . . ?
C14 C13 H13 119.1 . . ?
C12 C13 H13 119.1 . . ?
C13 C14 C9 116.20(15) . . ?
C13 C14 C15 122.82(16) . . ?
C9 C14 C15 120.99(15) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C10 C16 H16A 109.5 . . ?
C10 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C10 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C2 B18 B23 107.46(14) . . ?
C2 B18 C3 56.52(9) . . ?
B23 B18 C3 106.36(14) . . ?
C2 B18 B22 59.39(10) . . ?
B23 B18 B22 61.90(12) . . ?
C3 B18 B22 105.09(13) . . ?
C2 B18 B19 105.50(13) . . ?
B23 B18 B19 61.79(12) . . ?
C3 B18 B19 58.57(10) . . ?
B22 B18 B19 110.76(14) . . ?
C2 B18 H18 124.0 . . ?
B23 B18 H18 120.7 . . ?
C3 B18 H18 125.0 . . ?
B22 B18 H18 120.8 . . ?
B19 B18 H18 120.9 . . ?
C3 B19 B18 60.13(10) . . ?
C3 B19 B24 104.47(13) . . ?
B18 B19 B24 106.20(14) . . ?
C3 B19 B20 58.42(11) . . ?
B18 B19 B20 108.12(13) . . ?
B24 B19 B20 60.01(11) . . ?
C3 B19 B23 104.87(13) . . ?
B18 B19 B23 58.30(11) . . ?
B24 B19 B23 59.58(11) . . ?
B20 B19 B23 107.73(14) . . ?
C3 B19 H19 124.1 . . ?
B18 B19 H19 122.0 . . ?
B24 B19 H19 123.1 . . ?
B20 B19 H19 121.4 . . ?
B23 B19 H19 123.0 . . ?
C3 B20 B21 60.19(10) . . ?
C3 B20 B24 104.70(13) . . ?
B21 B20 B24 106.51(14) . . ?
C3 B20 B19 58.82(10) . . ?
B21 B20 B19 108.62(13) . . ?
B24 B20 B19 59.91(11) . . ?
C3 B20 B25 104.85(13) . . ?
B21 B20 B25 58.44(11) . . ?
B24 B20 B25 59.49(11) . . ?
B19 B20 B25 107.62(14) . . ?
C3 B20 H20 123.9 . . ?
B21 B20 H20 121.7 . . ?
B24 B20 H20 123.1 . . ?
B19 B20 H20 121.2 . . ?
B25 B20 H20 123.1 . . ?
C2 B21 B25 106.64(13) . . ?
C2 B21 C3 56.29(9) . . ?
B25 B21 C3 105.28(13) . . ?
C2 B21 B26 59.57(10) . . ?
B25 B21 B26 61.59(11) . . ?
C3 B21 B26 104.99(13) . . ?
C2 B21 B20 104.48(13) . . ?
B25 B21 B20 61.26(11) . . ?
C3 B21 B20 57.92(10) . . ?
B26 B21 B20 110.13(14) . . ?
C2 B21 H21 124.4 . . ?
B25 B21 H21 121.4 . . ?
C3 B21 H21 125.4 . . ?
B26 B21 H21 120.7 . . ?
B20 B21 H21 121.7 . . ?
C2 B22 B18 59.78(11) . . ?
C2 B22 B26 59.71(11) . . ?
B18 B22 B26 109.12(13) . . ?
C2 B22 B27 105.83(13) . . ?
B18 B22 B27 106.91(14) . . ?
B26 B22 B27 60.42(11) . . ?
C2 B22 B23 105.20(13) . . ?
B18 B22 B23 58.59(11) . . ?
B26 B22 B23 108.43(14) . . ?
B27 B22 B23 59.70(11) . . ?
C2 B22 H22 123.5 . . ?
B18 B22 H22 121.8 . . ?
B26 B22 H22 120.5 . . ?
B27 B22 H22 122.5 . . ?
B23 B22 H22 122.9 . . ?
B18 B23 B24 107.60(14) . . ?
B18 B23 B27 107.69(14) . . ?
B24 B23 B27 60.51(11) . . ?
B18 B23 B22 59.51(11) . . ?
B24 B23 B22 107.72(14) . . ?
B27 B23 B22 59.76(11) . . ?
B18 B23 B19 59.90(11) . . ?
B24 B23 B19 59.74(11) . . ?
B27 B23 B19 108.21(14) . . ?
B22 B23 B19 107.40(14) . . ?
B18 B23 H23 122.1 . . ?
B24 B23 H23 121.7 . . ?
B27 B23 H23 121.5 . . ?
B22 B23 H23 122.2 . . ?
B19 B23 H23 121.9 . . ?
B25 B24 B23 108.01(14) . . ?
B25 B24 B19 108.66(15) . . ?
B23 B24 B19 60.67(12) . . ?
B25 B24 B20 60.63(11) . . ?
B23 B24 B20 108.65(14) . . ?
B19 B24 B20 60.08(11) . . ?
B25 B24 B27 59.67(11) . . ?
B23 B24 B27 59.77(11) . . ?
B19 B24 B27 108.36(14) . . ?
B20 B24 B27 108.25(14) . . ?
B25 B24 H24 121.5 . . ?
B23 B24 H24 121.5 . . ?
B19 B24 H24 121.2 . . ?
B20 B24 H24 121.3 . . ?
B27 B24 H24 121.9 . . ?
B21 B25 B27 108.10(14) . . ?
B21 B25 B24 108.31(14) . . ?
B27 B25 B24 60.62(11) . . ?
B21 B25 B26 59.61(11) . . ?
B27 B25 B26 59.97(11) . . ?
B24 B25 B26 108.24(13) . . ?
B21 B25 B20 60.30(11) . . ?
B27 B25 B20 108.41(14) . . ?
B24 B25 B20 59.88(11) . . ?
B26 B25 B20 107.82(14) . . ?
B21 B25 H25 121.7 . . ?
B27 B25 H25 121.4 . . ?
B24 B25 H25 121.4 . . ?
B26 B25 H25 122.0 . . ?
B20 B25 H25 121.7 . . ?
C2 B26 B21 59.67(10) . . ?
C2 B26 B22 59.03(10) . . ?
B21 B26 B22 108.58(13) . . ?
C2 B26 B27 105.12(13) . . ?
B21 B26 B27 107.04(13) . . ?
B22 B26 B27 60.17(11) . . ?
C2 B26 B25 104.59(13) . . ?
B21 B26 B25 58.80(11) . . ?
B22 B26 B25 107.58(14) . . ?
B27 B26 B25 59.46(11) . . ?
C2 B26 H26 124.1 . . ?
B21 B26 H26 121.7 . . ?
B22 B26 H26 121.2 . . ?
B27 B26 H26 122.7 . . ?
B25 B26 H26 123.2 . . ?
B25 B27 B23 108.02(14) . . ?
B25 B27 B22 107.86(14) . . ?
B23 B27 B22 60.54(11) . . ?
B25 B27 B26 60.57(11) . . ?
B23 B27 B26 108.30(14) . . ?
B22 B27 B26 59.41(11) . . ?
B25 B27 B24 59.71(11) . . ?
B23 B27 B24 59.73(11) . . ?
B22 B27 B24 107.71(14) . . ?
B26 B27 B24 108.00(14) . . ?
B25 B27 H27 121.6 . . ?
B23 B27 H27 121.5 . . ?
B22 B27 H27 121.9 . . ?
B26 B27 H27 121.6 . . ?
B24 B27 H27 122.0 . . ?
B33 B28 C5 107.01(14) . . ?
B33 B28 B32 61.78(12) . . ?
C5 B28 B32 59.33(11) . . ?
B33 B28 C4 105.79(13) . . ?
C5 B28 C4 56.42(9) . . ?
B32 B28 C4 104.89(14) . . ?
B33 B28 B29 61.52(12) . . ?
C5 B28 B29 104.84(13) . . ?
B32 B28 B29 110.29(15) . . ?
C4 B28 B29 58.12(10) . . ?
B33 B28 H28 121.0 . . ?
C5 B28 H28 124.3 . . ?
B32 B28 H28 120.9 . . ?
C4 B28 H28 125.2 . . ?
B29 B28 H28 121.4 . . ?
C4 B29 B28 60.36(10) . . ?
C4 B29 B34 104.39(14) . . ?
B28 B29 B34 106.21(14) . . ?
C4 B29 B30 58.50(10) . . ?
B28 B29 B30 108.39(13) . . ?
B34 B29 B30 59.85(12) . . ?
C4 B29 B33 105.02(13) . . ?
B28 B29 B33 58.31(11) . . ?
B34 B29 B33 59.60(12) . . ?
B30 B29 B33 107.77(15) . . ?
C4 B29 H29 124.0 . . ?
B28 B29 H29 121.9 . . ?
B34 B29 H29 123.3 . . ?
B30 B29 H29 121.3 . . ?
B33 B29 H29 122.9 . . ?
C4 B30 B31 60.35(10) . . ?
C4 B30 B34 104.49(13) . . ?
B31 B30 B34 105.99(15) . . ?
C4 B30 B29 58.52(10) . . ?
B31 B30 B29 108.29(13) . . ?
B34 B30 B29 59.97(12) . . ?
C4 B30 B35 105.02(13) . . ?
B31 B30 B35 58.24(11) . . ?
B34 B30 B35 59.40(12) . . ?
B29 B30 B35 107.66(14) . . ?
C4 B30 H30 123.9 . . ?
B31 B30 H30 122.0 . . ?
B34 B30 H30 123.3 . . ?
B29 B30 H30 121.3 . . ?
B35 B30 H30 123.0 . . ?
C5 B31 B35 107.20(14) . . ?
C5 B31 B36 59.65(11) . . ?
B35 B31 B36 61.71(12) . . ?
C5 B31 C4 56.54(10) . . ?
B35 B31 C4 105.57(13) . . ?
B36 B31 C4 105.10(13) . . ?
C5 B31 B30 104.82(13) . . ?
B35 B31 B30 61.41(12) . . ?
B36 B31 B30 110.21(14) . . ?
C4 B31 B30 57.88(10) . . ?
C5 B31 H31 124.0 . . ?
B35 B31 H31 121.1 . . ?
B36 B31 H31 120.7 . . ?
C4 B31 H31 125.3 . . ?
B30 B31 H31 121.6 . . ?
C5 B32 B28 60.15(11) . . ?
C5 B32 B36 59.59(11) . . ?
B28 B32 B36 109.49(14) . . ?
C5 B32 B37 105.78(14) . . ?
B28 B32 B37 107.27(14) . . ?
B36 B32 B37 60.36(11) . . ?
C5 B32 B33 105.36(14) . . ?
B28 B32 B33 58.81(11) . . ?
B36 B32 B33 108.31(14) . . ?
B37 B32 B33 59.62(12) . . ?
C5 B32 H32 123.5 . . ?
B28 B32 H32 121.4 . . ?
B36 B32 H32 120.6 . . ?
B37 B32 H32 122.5 . . ?
B33 B32 H32 122.9 . . ?
B28 B33 B37 108.06(14) . . ?
B28 B33 B34 107.93(14) . . ?
B37 B33 B34 60.18(12) . . ?
B28 B33 B32 59.41(11) . . ?
B37 B33 B32 60.00(12) . . ?
B34 B33 B32 107.50(14) . . ?
B28 B33 B29 60.18(11) . . ?
B37 B33 B29 108.27(14) . . ?
B34 B33 B29 59.89(11) . . ?
B32 B33 B29 107.38(13) . . ?
B28 B33 H33 121.8 . . ?
B37 B33 H33 121.4 . . ?
B34 B33 H33 121.8 . . ?
B32 B33 H33 122.3 . . ?
B29 B33 H33 121.7 . . ?
B35 B34 B33 108.40(14) . . ?
B35 B34 B30 60.76(12) . . ?
B33 B34 B30 108.76(14) . . ?
B35 B34 B37 60.12(12) . . ?
B33 B34 B37 59.83(12) . . ?
B30 B34 B37 108.78(14) . . ?
B35 B34 B29 108.93(14) . . ?
B33 B34 B29 60.51(12) . . ?
B30 B34 B29 60.18(11) . . ?
B37 B34 B29 108.49(14) . . ?
B35 B34 H34 121.2 . . ?
B33 B34 H34 121.5 . . ?
B30 B34 H34 121.1 . . ?
B37 B34 H34 121.6 . . ?
B29 B34 H34 121.2 . . ?
B31 B35 B34 108.04(15) . . ?
B31 B35 B37 107.81(14) . . ?
B34 B35 B37 60.18(12) . . ?
B31 B35 B36 59.49(11) . . ?
B34 B35 B36 107.62(14) . . ?
B37 B35 B36 59.80(11) . . ?
B31 B35 B30 60.36(11) . . ?
B34 B35 B30 59.84(12) . . ?
B37 B35 B30 108.10(15) . . ?
B36 B35 B30 107.64(14) . . ?
B31 B35 H35 121.7 . . ?
B34 B35 H35 121.8 . . ?
B37 B35 H35 121.7 . . ?
B36 B35 H35 122.2 . . ?
B30 B35 H35 121.7 . . ?
C5 B36 B31 59.51(11) . . ?
C5 B36 B32 59.25(11) . . ?
B31 B36 B32 108.66(14) . . ?
C5 B36 B37 105.58(14) . . ?
B31 B36 B37 107.23(14) . . ?
B32 B36 B37 60.44(11) . . ?
C5 B36 B35 104.84(14) . . ?
B31 B36 B35 58.80(11) . . ?
B32 B36 B35 108.14(14) . . ?
B37 B36 B35 59.77(11) . . ?
C5 B36 H36 123.9 . . ?
B31 B36 H36 121.8 . . ?
B32 B36 H36 120.9 . . ?
B37 B36 H36 122.3 . . ?
B35 B36 H36 122.9 . . ?
B33 B37 B35 108.19(15) . . ?
B33 B37 B36 108.00(14) . . ?
B35 B37 B36 60.42(11) . . ?
B33 B37 B34 59.99(12) . . ?
B35 B37 B34 59.71(12) . . ?
B36 B37 B34 107.73(15) . . ?
B33 B37 B32 60.38(11) . . ?
B35 B37 B32 107.67(14) . . ?
B36 B37 B32 59.20(11) . . ?
B34 B37 B32 107.65(15) . . ?
B33 B37 H37 121.4 . . ?
B35 B37 H37 121.6 . . ?
B36 B37 H37 121.9 . . ?
B34 B37 H37 122.0 . . ?
B32 B37 H37 122.1 . . ?

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
C7 B1 C2 C3 114.85(14) . . . . ?
C5 B1 C2 C3 -3.46(16) . . . . ?
Br6 B1 C2 C3 -131.31(11) . . . . ?
C7 B1 C2 B22 -20.7(2) . . . . ?
C5 B1 C2 B22 -139.06(15) . . . . ?
Br6 B1 C2 B22 93.09(17) . . . . ?
C7 B1 C2 B18 48.61(17) . . . . ?
C5 B1 C2 B18 -69.70(16) . . . . ?
Br6 B1 C2 B18 162.45(11) . . . . ?
C7 B1 C2 B26 -103.92(18) . . . . ?
C5 B1 C2 B26 137.77(16) . . . . ?
Br6 B1 C2 B26 9.9(2) . . . . ?
C7 B1 C2 B21 -178.04(13) . . . . ?
C5 B1 C2 B21 63.65(17) . . . . ?
Br6 B1 C2 B21 -64.20(16) . . . . ?
B1 C2 C3 C4 3.35(16) . . . . ?
B22 C2 C3 C4 147.19(13) . . . . ?
B18 C2 C3 C4 109.38(14) . . . . ?
B26 C2 C3 C4 -146.82(13) . . . . ?
B21 C2 C3 C4 -108.95(14) . . . . ?
B1 C2 C3 B20 149.43(14) . . . . ?
B22 C2 C3 B20 -66.73(16) . . . . ?
B18 C2 C3 B20 -104.55(15) . . . . ?
B26 C2 C3 B20 -0.75(18) . . . . ?
B21 C2 C3 B20 37.13(13) . . . . ?
B1 C2 C3 B19 -142.28(13) . . . . ?
B22 C2 C3 B19 1.56(17) . . . . ?
B18 C2 C3 B19 -36.26(13) . . . . ?
B26 C2 C3 B19 67.54(16) . . . . ?
B21 C2 C3 B19 105.42(15) . . . . ?
B1 C2 C3 B18 -106.02(14) . . . . ?
B22 C2 C3 B18 37.81(13) . . . . ?
B26 C2 C3 B18 103.80(14) . . . . ?
B21 C2 C3 B18 141.68(14) . . . . ?
B1 C2 C3 B21 112.30(14) . . . . ?
B22 C2 C3 B21 -103.86(14) . . . . ?
B18 C2 C3 B21 -141.68(14) . . . . ?
B26 C2 C3 B21 -37.88(13) . . . . ?
C2 C3 C4 C5 -1.85(16) . . . . ?
B20 C3 C4 C5 -141.45(15) . . . . ?
B19 C3 C4 C5 137.13(15) . . . . ?
B18 C3 C4 C5 64.90(16) . . . . ?
B21 C3 C4 C5 -68.71(16) . . . . ?
C2 C3 C4 B30 136.93(15) . . . . ?
B20 C3 C4 B30 -2.7(2) . . . . ?
B19 C3 C4 B30 -84.1(2) . . . . ?
B18 C3 C4 B30 -156.31(15) . . . . ?
B21 C3 C4 B30 70.1(2) . . . . ?
C2 C3 C4 B29 -141.76(15) . . . . ?
B20 C3 C4 B29 78.6(2) . . . . ?
B19 C3 C4 B29 -2.8(2) . . . . ?
B18 C3 C4 B29 -75.00(19) . . . . ?
B21 C3 C4 B29 151.39(15) . . . . ?
C2 C3 C4 B28 -68.97(16) . . . . ?
B20 C3 C4 B28 151.43(15) . . . . ?
B19 C3 C4 B28 70.0(2) . . . . ?
B18 C3 C4 B28 -2.22(19) . . . . ?
B21 C3 C4 B28 -135.83(14) . . . . ?
C2 C3 C4 B31 64.53(16) . . . . ?
B20 C3 C4 B31 -75.07(19) . . . . ?
B19 C3 C4 B31 -156.49(15) . . . . ?
B18 C3 C4 B31 131.28(14) . . . . ?
B21 C3 C4 B31 -2.33(19) . . . . ?
C7 B1 C5 C4 -115.11(14) . . . . ?
C2 B1 C5 C4 2.38(16) . . . . ?
Br6 B1 C5 C4 129.36(12) . . . . ?
C7 B1 C5 B32 22.7(2) . . . . ?
C2 B1 C5 B32 140.17(16) . . . . ?
Br6 B1 C5 B32 -92.86(18) . . . . ?
C7 B1 C5 B31 177.99(13) . . . . ?
C2 B1 C5 B31 -64.52(17) . . . . ?
Br6 B1 C5 B31 62.46(17) . . . . ?
C7 B1 C5 B36 106.61(18) . . . . ?
C2 B1 C5 B36 -135.90(16) . . . . ?
Br6 B1 C5 B36 -8.9(2) . . . . ?
C7 B1 C5 B28 -48.60(18) . . . . ?
C2 B1 C5 B28 68.89(16) . . . . ?
Br6 B1 C5 B28 -164.14(11) . . . . ?
C3 C4 C5 B1 -0.35(16) . . . . ?
B30 C4 C5 B1 -145.56(13) . . . . ?
B29 C4 C5 B1 146.02(13) . . . . ?
B28 C4 C5 B1 109.27(14) . . . . ?
B31 C4 C5 B1 -108.92(14) . . . . ?
C3 C4 C5 B32 -147.35(13) . . . . ?
B30 C4 C5 B32 67.45(16) . . . . ?
B29 C4 C5 B32 -0.97(18) . . . . ?
B28 C4 C5 B32 -37.72(13) . . . . ?
B31 C4 C5 B32 104.09(15) . . . . ?
C3 C4 C5 B31 108.56(14) . . . . ?
B30 C4 C5 B31 -36.64(13) . . . . ?
B29 C4 C5 B31 -105.06(15) . . . . ?
B28 C4 C5 B31 -141.81(14) . . . . ?
C3 C4 C5 B36 146.81(13) . . . . ?
B30 C4 C5 B36 1.60(17) . . . . ?
B29 C4 C5 B36 -66.82(17) . . . . ?
B28 C4 C5 B36 -103.57(14) . . . . ?
B31 C4 C5 B36 38.24(13) . . . . ?
C3 C4 C5 B28 -109.63(14) . . . . ?
B30 C4 C5 B28 105.17(15) . . . . ?
B29 C4 C5 B28 36.75(13) . . . . ?
B31 C4 C5 B28 141.81(14) . . . . ?
C14 C9 C10 C11 -0.1(3) . . . . ?
N8 C9 C10 C11 179.12(15) . . . . ?
C14 C9 C10 C16 179.65(17) . . . . ?
N8 C9 C10 C16 -1.1(3) . . . . ?
C9 C10 C11 C12 -1.3(3) . . . . ?
C16 C10 C11 C12 178.96(17) . . . . ?
C10 C11 C12 C13 1.4(3) . . . . ?
C10 C11 C12 C17 -177.84(17) . . . . ?
C11 C12 C13 C14 -0.1(3) . . . . ?
C17 C12 C13 C14 179.15(17) . . . . ?
C12 C13 C14 C9 -1.2(3) . . . . ?
C12 C13 C14 C15 178.71(17) . . . . ?
C10 C9 C14 C13 1.3(3) . . . . ?
N8 C9 C14 C13 -177.93(15) . . . . ?
C10 C9 C14 C15 -178.58(17) . . . . ?
N8 C9 C14 C15 2.2(2) . . . . ?
B1 C2 B18 B23 -162.84(13) . . . . ?
C3 C2 B18 B23 98.39(14) . . . . ?
B22 C2 B18 B23 -40.55(13) . . . . ?
B26 C2 B18 B23 -4.42(17) . . . . ?
B21 C2 B18 B23 61.78(17) . . . . ?
B1 C2 B18 C3 98.77(14) . . . . ?
B22 C2 B18 C3 -138.94(14) . . . . ?
B26 C2 B18 C3 -102.81(14) . . . . ?
B21 C2 B18 C3 -36.61(13) . . . . ?
B1 C2 B18 B22 -122.29(14) . . . . ?
C3 C2 B18 B22 138.94(14) . . . . ?
B26 C2 B18 B22 36.13(13) . . . . ?
B21 C2 B18 B22 102.33(15) . . . . ?
B1 C2 B18 B19 132.44(14) . . . . ?
C3 C2 B18 B19 33.67(12) . . . . ?
B22 C2 B18 B19 -105.27(15) . . . . ?
B26 C2 B18 B19 -69.14(16) . . . . ?
B21 C2 B18 B19 -2.94(18) . . . . ?
C4 C3 B18 C2 -98.88(15) . . . . ?
B20 C3 B18 C2 103.67(14) . . . . ?
B19 C3 B18 C2 141.23(14) . . . . ?
B21 C3 B18 C2 36.09(13) . . . . ?
C4 C3 B18 B23 160.70(14) . . . . ?
C2 C3 B18 B23 -100.41(14) . . . . ?
B20 C3 B18 B23 3.26(17) . . . . ?
B19 C3 B18 B23 40.82(13) . . . . ?
B21 C3 B18 B23 -64.33(16) . . . . ?
C4 C3 B18 B22 -134.72(14) . . . . ?
C2 C3 B18 B22 -35.84(12) . . . . ?
B20 C3 B18 B22 67.83(16) . . . . ?
B19 C3 B18 B22 105.39(15) . . . . ?
B21 C3 B18 B22 0.25(18) . . . . ?
C4 C3 B18 B19 119.88(15) . . . . ?
C2 C3 B18 B19 -141.23(14) . . . . ?
B20 C3 B18 B19 -37.56(13) . . . . ?
B21 C3 B18 B19 -105.14(15) . . . . ?
C4 C3 B19 B18 -101.84(17) . . . . ?
C2 C3 B19 B18 36.30(13) . . . . ?
B20 C3 B19 B18 140.73(14) . . . . ?
B21 C3 B19 B18 103.56(14) . . . . ?
C4 C3 B19 B24 157.56(15) . . . . ?
C2 C3 B19 B24 -64.30(16) . . . . ?
B20 C3 B19 B24 40.13(12) . . . . ?
B18 C3 B19 B24 -100.60(14) . . . . ?
B21 C3 B19 B24 2.96(17) . . . . ?
C4 C3 B19 B20 117.44(17) . . . . ?
C2 C3 B19 B20 -104.42(14) . . . . ?
B18 C3 B19 B20 -140.73(14) . . . . ?
B21 C3 B19 B20 -37.17(13) . . . . ?
C4 C3 B19 B23 -140.63(15) . . . . ?
C2 C3 B19 B23 -2.49(17) . . . . ?
B20 C3 B19 B23 101.93(14) . . . . ?
B18 C3 B19 B23 -38.79(12) . . . . ?
B21 C3 B19 B23 64.77(16) . . . . ?
C2 B18 B19 C3 -32.82(12) . . . . ?
B23 B18 B19 C3 -134.62(14) . . . . ?
B22 B18 B19 C3 -95.43(14) . . . . ?
C2 B18 B19 B24 64.84(16) . . . . ?
B23 B18 B19 B24 -36.96(13) . . . . ?
C3 B18 B19 B24 97.66(14) . . . . ?
B22 B18 B19 B24 2.23(18) . . . . ?
C2 B18 B19 B20 1.75(18) . . . . ?
B23 B18 B19 B20 -100.05(15) . . . . ?
C3 B18 B19 B20 34.57(12) . . . . ?
B22 B18 B19 B20 -60.86(18) . . . . ?
C2 B18 B19 B23 101.81(14) . . . . ?
C3 B18 B19 B23 134.62(14) . . . . ?
B22 B18 B19 B23 39.19(13) . . . . ?
C4 C3 B20 B21 101.67(17) . . . . ?
C2 C3 B20 B21 -37.00(13) . . . . ?
B19 C3 B20 B21 -140.98(14) . . . . ?
B18 C3 B20 B21 -104.01(14) . . . . ?
C4 C3 B20 B24 -157.47(15) . . . . ?
C2 C3 B20 B24 63.86(16) . . . . ?
B19 C3 B20 B24 -40.12(12) . . . . ?
B18 C3 B20 B24 -3.15(17) . . . . ?
B21 C3 B20 B24 100.86(14) . . . . ?
C4 C3 B20 B19 -117.35(17) . . . . ?
C2 C3 B20 B19 103.98(14) . . . . ?
B18 C3 B20 B19 36.97(13) . . . . ?
B21 C3 B20 B19 140.98(14) . . . . ?
C4 C3 B20 B25 140.78(16) . . . . ?
C2 C3 B20 B25 2.11(17) . . . . ?
B19 C3 B20 B25 -101.87(15) . . . . ?
B18 C3 B20 B25 -64.90(16) . . . . ?
B21 C3 B20 B25 39.11(12) . . . . ?
B18 B19 B20 C3 -35.28(13) . . . . ?
B24 B19 B20 C3 -133.91(14) . . . . ?
B23 B19 B20 C3 -96.87(14) . . . . ?
C3 B19 B20 B21 35.20(13) . . . . ?
B18 B19 B20 B21 -0.08(19) . . . . ?
B24 B19 B20 B21 -98.71(15) . . . . ?
B23 B19 B20 B21 -61.67(17) . . . . ?
C3 B19 B20 B24 133.91(14) . . . . ?
B18 B19 B20 B24 98.63(15) . . . . ?
B23 B19 B20 B24 37.04(13) . . . . ?
C3 B19 B20 B25 97.01(14) . . . . ?
B18 B19 B20 B25 61.73(17) . . . . ?
B24 B19 B20 B25 -36.90(13) . . . . ?
B23 B19 B20 B25 0.14(18) . . . . ?
B1 C2 B21 B25 166.26(13) . . . . ?
C3 C2 B21 B25 -97.54(14) . . . . ?
B22 C2 B21 B25 5.34(17) . . . . ?
B18 C2 B21 B25 -60.96(16) . . . . ?
B26 C2 B21 B25 41.27(12) . . . . ?
B1 C2 B21 C3 -96.20(15) . . . . ?
B22 C2 B21 C3 102.88(14) . . . . ?
B18 C2 B21 C3 36.58(13) . . . . ?
B26 C2 B21 C3 138.81(14) . . . . ?
B1 C2 B21 B26 124.99(15) . . . . ?
C3 C2 B21 B26 -138.81(14) . . . . ?
B22 C2 B21 B26 -35.93(13) . . . . ?
B18 C2 B21 B26 -102.23(15) . . . . ?
B1 C2 B21 B20 -129.91(14) . . . . ?
C3 C2 B21 B20 -33.72(12) . . . . ?
B22 C2 B21 B20 69.16(16) . . . . ?
B18 C2 B21 B20 2.87(18) . . . . ?
B26 C2 B21 B20 105.10(15) . . . . ?
C4 C3 B21 C2 99.14(15) . . . . ?
B20 C3 B21 C2 -140.63(14) . . . . ?
B19 C3 B21 C2 -103.12(14) . . . . ?
B18 C3 B21 C2 -36.03(13) . . . . ?
C4 C3 B21 B25 -160.81(13) . . . . ?
C2 C3 B21 B25 100.06(14) . . . . ?
B20 C3 B21 B25 -40.58(13) . . . . ?
B19 C3 B21 B25 -3.06(17) . . . . ?
B18 C3 B21 B25 64.03(16) . . . . ?
C4 C3 B21 B26 135.13(14) . . . . ?
C2 C3 B21 B26 36.00(12) . . . . ?
B20 C3 B21 B26 -104.63(15) . . . . ?
B19 C3 B21 B26 -67.12(16) . . . . ?
B18 C3 B21 B26 -0.03(18) . . . . ?
C4 C3 B21 B20 -120.23(15) . . . . ?
C2 C3 B21 B20 140.63(14) . . . . ?
B19 C3 B21 B20 37.52(13) . . . . ?
B18 C3 B21 B20 104.61(15) . . . . ?
C3 B20 B21 C2 33.02(12) . . . . ?
B24 B20 B21 C2 -64.75(16) . . . . ?
B19 B20 B21 C2 -1.62(17) . . . . ?
B25 B20 B21 C2 -101.29(14) . . . . ?
C3 B20 B21 B25 134.31(14) . . . . ?
B24 B20 B21 B25 36.54(13) . . . . ?
B19 B20 B21 B25 99.67(15) . . . . ?
B24 B20 B21 C3 -97.77(14) . . . . ?
B19 B20 B21 C3 -34.64(12) . . . . ?
B25 B20 B21 C3 -134.31(14) . . . . ?
C3 B20 B21 B26 95.47(14) . . . . ?
B24 B20 B21 B26 -2.30(17) . . . . ?
B19 B20 B21 B26 60.83(17) . . . . ?
B25 B20 B21 B26 -38.84(13) . . . . ?
B1 C2 B22 B18 96.13(17) . . . . ?
C3 C2 B22 B18 -38.34(13) . . . . ?
B26 C2 B22 B18 -141.19(14) . . . . ?
B21 C2 B22 B18 -105.45(14) . . . . ?
B1 C2 B22 B26 -122.68(17) . . . . ?
C3 C2 B22 B26 102.85(14) . . . . ?
B18 C2 B22 B26 141.19(14) . . . . ?
B21 C2 B22 B26 35.74(13) . . . . ?
B1 C2 B22 B27 -163.23(15) . . . . ?
C3 C2 B22 B27 62.30(16) . . . . ?
B18 C2 B22 B27 100.64(14) . . . . ?
B26 C2 B22 B27 -40.55(12) . . . . ?
B21 C2 B22 B27 -4.81(17) . . . . ?
B1 C2 B22 B23 134.57(16) . . . . ?
C3 C2 B22 B23 0.10(17) . . . . ?
B18 C2 B22 B23 38.44(12) . . . . ?
B26 C2 B22 B23 -102.75(14) . . . . ?
B21 C2 B22 B23 -67.01(16) . . . . ?
B23 B18 B22 C2 135.33(14) . . . . ?
C3 B18 B22 C2 34.57(12) . . . . ?
B19 B18 B22 C2 96.18(14) . . . . ?
C2 B18 B22 B26 -34.95(13) . . . . ?
B23 B18 B22 B26 100.39(15) . . . . ?
C3 B18 B22 B26 -0.37(18) . . . . ?
B19 B18 B22 B26 61.24(18) . . . . ?
C2 B18 B22 B27 -98.80(14) . . . . ?
B23 B18 B22 B27 36.54(13) . . . . ?
C3 B18 B22 B27 -64.22(16) . . . . ?
B19 B18 B22 B27 -2.61(18) . . . . ?
C2 B18 B22 B23 -135.33(14) . . . . ?
C3 B18 B22 B23 -100.76(14) . . . . ?
B19 B18 B22 B23 -39.15(13) . . . . ?
C2 B18 B23 B24 -61.22(17) . . . . ?
C3 B18 B23 B24 -1.91(17) . . . . ?
B22 B18 B23 B24 -100.58(15) . . . . ?
B19 B18 B23 B24 37.36(13) . . . . ?
C2 B18 B23 B27 2.62(18) . . . . ?
C3 B18 B23 B27 61.93(16) . . . . ?
B22 B18 B23 B27 -36.75(13) . . . . ?
B19 B18 B23 B27 101.19(15) . . . . ?
C2 B18 B23 B22 39.36(12) . . . . ?
C3 B18 B23 B22 98.68(14) . . . . ?
B19 B18 B23 B22 137.94(14) . . . . ?
C2 B18 B23 B19 -98.58(14) . . . . ?
C3 B18 B23 B19 -39.26(12) . . . . ?
B22 B18 B23 B19 -137.94(14) . . . . ?
C2 B22 B23 B18 -39.01(12) . . . . ?
B26 B22 B23 B18 -101.60(15) . . . . ?
B27 B22 B23 B18 -138.72(14) . . . . ?
C2 B22 B23 B24 61.38(17) . . . . ?
B18 B22 B23 B24 100.39(15) . . . . ?
B26 B22 B23 B24 -1.21(18) . . . . ?
B27 B22 B23 B24 -38.33(13) . . . . ?
C2 B22 B23 B27 99.71(14) . . . . ?
B18 B22 B23 B27 138.72(14) . . . . ?
B26 B22 B23 B27 37.12(13) . . . . ?
C2 B22 B23 B19 -1.61(17) . . . . ?
B18 B22 B23 B19 37.40(13) . . . . ?
B26 B22 B23 B19 -64.20(17) . . . . ?
B27 B22 B23 B19 -101.32(15) . . . . ?
C3 B19 B23 B18 39.68(12) . . . . ?
B24 B19 B23 B18 137.96(14) . . . . ?
B20 B19 B23 B18 100.74(15) . . . . ?
C3 B19 B23 B24 -98.28(14) . . . . ?
B18 B19 B23 B24 -137.96(14) . . . . ?
B20 B19 B23 B24 -37.23(13) . . . . ?
C3 B19 B23 B27 -60.64(17) . . . . ?
B18 B19 B23 B27 -100.32(15) . . . . ?
B24 B19 B23 B27 37.64(13) . . . . ?
B20 B19 B23 B27 0.41(18) . . . . ?
C3 B19 B23 B22 2.46(17) . . . . ?
B18 B19 B23 B22 -37.23(13) . . . . ?
B24 B19 B23 B22 100.74(15) . . . . ?
B20 B19 B23 B22 63.51(17) . . . . ?
B18 B23 B24 B25 64.30(18) . . . . ?
B27 B23 B24 B25 -36.47(14) . . . . ?
B22 B23 B24 B25 1.52(19) . . . . ?
B19 B23 B24 B25 101.73(16) . . . . ?
B18 B23 B24 B19 -37.43(13) . . . . ?
B27 B23 B24 B19 -138.20(15) . . . . ?
B22 B23 B24 B19 -100.21(15) . . . . ?
B18 B23 B24 B20 0.06(18) . . . . ?
B27 B23 B24 B20 -100.71(15) . . . . ?
B22 B23 B24 B20 -62.72(17) . . . . ?
B19 B23 B24 B20 37.49(13) . . . . ?
B18 B23 B24 B27 100.77(15) . . . . ?
B22 B23 B24 B27 38.00(13) . . . . ?
B19 B23 B24 B27 138.20(15) . . . . ?
C3 B19 B24 B25 -1.68(17) . . . . ?
B18 B19 B24 B25 -64.25(17) . . . . ?
B20 B19 B24 B25 37.66(13) . . . . ?
B23 B19 B24 B25 -100.64(15) . . . . ?
C3 B19 B24 B23 98.96(14) . . . . ?
B18 B19 B24 B23 36.39(13) . . . . ?
B20 B19 B24 B23 138.30(14) . . . . ?
C3 B19 B24 B20 -39.34(12) . . . . ?
B18 B19 B24 B20 -101.91(14) . . . . ?
B23 B19 B24 B20 -138.30(14) . . . . ?
C3 B19 B24 B27 61.61(17) . . . . ?
B18 B19 B24 B27 -0.96(18) . . . . ?
B20 B19 B24 B27 100.94(15) . . . . ?
B23 B19 B24 B27 -37.35(13) . . . . ?
C3 B20 B24 B25 -98.80(14) . . . . ?
B21 B20 B24 B25 -36.07(12) . . . . ?
B19 B20 B24 B25 -138.38(14) . . . . ?
C3 B20 B24 B23 1.84(17) . . . . ?
B21 B20 B24 B23 64.56(16) . . . . ?
B19 B20 B24 B23 -37.75(13) . . . . ?
B25 B20 B24 B23 100.63(15) . . . . ?
C3 B20 B24 B19 39.58(12) . . . . ?
B21 B20 B24 B19 102.31(14) . . . . ?
B25 B20 B24 B19 138.38(14) . . . . ?
C3 B20 B24 B27 -61.53(16) . . . . ?
B21 B20 B24 B27 1.19(17) . . . . ?
B19 B20 B24 B27 -101.11(15) . . . . ?
B25 B20 B24 B27 37.27(13) . . . . ?
C2 B21 B25 B27 -3.62(17) . . . . ?
C3 B21 B25 B27 -62.37(16) . . . . ?
B26 B21 B25 B27 36.67(13) . . . . ?
B20 B21 B25 B27 -101.31(15) . . . . ?
C2 B21 B25 B24 60.56(16) . . . . ?
C3 B21 B25 B24 1.81(17) . . . . ?
B26 B21 B25 B24 100.85(15) . . . . ?
B20 B21 B25 B24 -37.13(13) . . . . ?
C2 B21 B25 B26 -40.29(12) . . . . ?
C3 B21 B25 B26 -99.04(13) . . . . ?
B20 B21 B25 B26 -137.98(14) . . . . ?
C2 B21 B25 B20 97.69(13) . . . . ?
C3 B21 B25 B20 38.94(12) . . . . ?
B26 B21 B25 B20 137.98(14) . . . . ?
B23 B24 B25 B21 -64.39(17) . . . . ?
B19 B24 B25 B21 -0.10(18) . . . . ?
B20 B24 B25 B21 37.31(13) . . . . ?
B27 B24 B25 B21 -100.91(15) . . . . ?
B23 B24 B25 B27 36.51(14) . . . . ?
B19 B24 B25 B27 100.81(15) . . . . ?
B20 B24 B25 B27 138.22(14) . . . . ?
B23 B24 B25 B26 -1.27(19) . . . . ?
B19 B24 B25 B26 63.03(17) . . . . ?
B20 B24 B25 B26 100.44(15) . . . . ?
B27 B24 B25 B26 -37.78(13) . . . . ?
B23 B24 B25 B20 -101.71(15) . . . . ?
B19 B24 B25 B20 -37.42(13) . . . . ?
B27 B24 B25 B20 -138.22(14) . . . . ?
C3 B20 B25 B21 -39.97(12) . . . . ?
B24 B20 B25 B21 -138.51(14) . . . . ?
B19 B20 B25 B21 -101.42(14) . . . . ?
C3 B20 B25 B27 60.82(17) . . . . ?
B21 B20 B25 B27 100.78(15) . . . . ?
B24 B20 B25 B27 -37.72(13) . . . . ?
B19 B20 B25 B27 -0.64(18) . . . . ?
C3 B20 B25 B24 98.54(14) . . . . ?
B21 B20 B25 B24 138.51(14) . . . . ?
B19 B20 B25 B24 37.08(13) . . . . ?
C3 B20 B25 B26 -2.63(18) . . . . ?
B21 B20 B25 B26 37.34(13) . . . . ?
B24 B20 B25 B26 -101.17(15) . . . . ?
B19 B20 B25 B26 -64.08(17) . . . . ?
B1 C2 B26 B21 -101.86(18) . . . . ?
C3 C2 B26 B21 38.47(13) . . . . ?
B22 C2 B26 B21 141.42(14) . . . . ?
B18 C2 B26 B21 105.47(14) . . . . ?
B1 C2 B26 B22 116.71(19) . . . . ?
C3 C2 B26 B22 -102.96(14) . . . . ?
B18 C2 B26 B22 -35.96(13) . . . . ?
B21 C2 B26 B22 -141.42(14) . . . . ?
B1 C2 B26 B27 156.97(16) . . . . ?
C3 C2 B26 B27 -62.70(16) . . . . ?
B22 C2 B26 B27 40.26(12) . . . . ?
B18 C2 B26 B27 4.30(17) . . . . ?
B21 C2 B26 B27 -101.17(14) . . . . ?
B1 C2 B26 B25 -141.29(16) . . . . ?
C3 C2 B26 B25 -0.96(17) . . . . ?
B22 C2 B26 B25 101.99(14) . . . . ?
B18 C2 B26 B25 66.04(16) . . . . ?
B21 C2 B26 B25 -39.43(12) . . . . ?
B25 B21 B26 C2 -134.06(13) . . . . ?
C3 B21 B26 C2 -34.55(11) . . . . ?
B20 B21 B26 C2 -95.37(14) . . . . ?
C2 B21 B26 B22 34.34(12) . . . . ?
B25 B21 B26 B22 -99.73(15) . . . . ?
C3 B21 B26 B22 -0.21(18) . . . . ?
B20 B21 B26 B22 -61.03(17) . . . . ?
C2 B21 B26 B27 97.86(14) . . . . ?
B25 B21 B26 B27 -36.21(13) . . . . ?
C3 B21 B26 B27 63.31(16) . . . . ?
B20 B21 B26 B27 2.49(17) . . . . ?
C2 B21 B26 B25 134.06(13) . . . . ?
C3 B21 B26 B25 99.52(14) . . . . ?
B20 B21 B26 B25 38.69(13) . . . . ?
B18 B22 B26 C2 34.97(13) . . . . ?
B27 B22 B26 C2 134.02(13) . . . . ?
B23 B22 B26 C2 97.21(14) . . . . ?
C2 B22 B26 B21 -34.60(12) . . . . ?
B18 B22 B26 B21 0.37(19) . . . . ?
B27 B22 B26 B21 99.42(15) . . . . ?
B23 B22 B26 B21 62.61(17) . . . . ?
C2 B22 B26 B27 -134.02(13) . . . . ?
B18 B22 B26 B27 -99.04(15) . . . . ?
B23 B22 B26 B27 -36.81(13) . . . . ?
C2 B22 B26 B25 -96.77(14) . . . . ?
B18 B22 B26 B25 -61.80(17) . . . . ?
B27 B22 B26 B25 37.24(13) . . . . ?
B23 B22 B26 B25 0.43(18) . . . . ?
B21 B25 B26 C2 39.86(12) . . . . ?
B27 B25 B26 C2 -99.17(14) . . . . ?
B24 B25 B26 C2 -61.10(17) . . . . ?
B20 B25 B26 C2 2.21(17) . . . . ?
B27 B25 B26 B21 -139.03(14) . . . . ?
B24 B25 B26 B21 -100.96(15) . . . . ?
B20 B25 B26 B21 -37.65(13) . . . . ?
B21 B25 B26 B22 101.47(14) . . . . ?
B27 B25 B26 B22 -37.56(13) . . . . ?
B24 B25 B26 B22 0.51(18) . . . . ?
B20 B25 B26 B22 63.83(17) . . . . ?
B21 B25 B26 B27 139.03(14) . . . . ?
B24 B25 B26 B27 38.07(13) . . . . ?
B20 B25 B26 B27 101.38(15) . . . . ?
B21 B25 B27 B23 64.76(17) . . . . ?
B24 B25 B27 B23 -36.50(13) . . . . ?
B26 B25 B27 B23 101.27(15) . . . . ?
B20 B25 B27 B23 0.90(19) . . . . ?
B21 B25 B27 B22 0.77(17) . . . . ?
B24 B25 B27 B22 -100.49(15) . . . . ?
B26 B25 B27 B22 37.29(13) . . . . ?
B20 B25 B27 B22 -63.09(17) . . . . ?
B21 B25 B27 B26 -36.52(13) . . . . ?
B24 B25 B27 B26 -137.77(14) . . . . ?
B20 B25 B27 B26 -100.38(15) . . . . ?
B21 B25 B27 B24 101.26(15) . . . . ?
B26 B25 B27 B24 137.77(14) . . . . ?
B20 B25 B27 B24 37.40(13) . . . . ?
B18 B23 B27 B25 -64.12(17) . . . . ?
B24 B23 B27 B25 36.49(14) . . . . ?
B22 B23 B27 B25 -100.76(15) . . . . ?
B19 B23 B27 B25 -0.81(18) . . . . ?
B18 B23 B27 B22 36.64(13) . . . . ?
B24 B23 B27 B22 137.25(15) . . . . ?
B19 B23 B27 B22 99.95(15) . . . . ?
B18 B23 B27 B26 -0.01(18) . . . . ?
B24 B23 B27 B26 100.60(15) . . . . ?
B22 B23 B27 B26 -36.65(13) . . . . ?
B19 B23 B27 B26 63.30(17) . . . . ?
B18 B23 B27 B24 -100.62(15) . . . . ?
B22 B23 B27 B24 -137.25(15) . . . . ?
B19 B23 B27 B24 -37.30(14) . . . . ?
C2 B22 B27 B25 2.40(17) . . . . ?
B18 B22 B27 B25 64.97(16) . . . . ?
B26 B22 B27 B25 -37.80(13) . . . . ?
B23 B22 B27 B25 101.02(15) . . . . ?
C2 B22 B27 B23 -98.62(14) . . . . ?
B18 B22 B27 B23 -36.05(13) . . . . ?
B26 B22 B27 B23 -138.82(14) . . . . ?
C2 B22 B27 B26 40.20(12) . . . . ?
B18 B22 B27 B26 102.77(14) . . . . ?
B23 B22 B27 B26 138.82(14) . . . . ?
C2 B22 B27 B24 -60.64(16) . . . . ?
B18 B22 B27 B24 1.93(18) . . . . ?
B26 B22 B27 B24 -100.84(15) . . . . ?
B23 B22 B27 B24 37.98(13) . . . . ?
C2 B26 B27 B25 98.25(14) . . . . ?
B21 B26 B27 B25 35.92(12) . . . . ?
B22 B26 B27 B25 137.95(14) . . . . ?
C2 B26 B27 B23 -2.56(17) . . . . ?
B21 B26 B27 B23 -64.89(16) . . . . ?
B22 B26 B27 B23 37.14(13) . . . . ?
B25 B26 B27 B23 -100.81(15) . . . . ?
C2 B26 B27 B22 -39.70(12) . . . . ?
B21 B26 B27 B22 -102.03(14) . . . . ?
B25 B26 B27 B22 -137.95(14) . . . . ?
C2 B26 B27 B24 60.65(16) . . . . ?
B21 B26 B27 B24 -1.69(18) . . . . ?
B22 B26 B27 B24 100.34(15) . . . . ?
B25 B26 B27 B24 -37.61(13) . . . . ?
B23 B24 B27 B25 -139.08(15) . . . . ?
B19 B24 B27 B25 -101.33(16) . . . . ?
B20 B24 B27 B25 -37.69(13) . . . . ?
B25 B24 B27 B23 139.08(15) . . . . ?
B19 B24 B27 B23 37.75(13) . . . . ?
B20 B24 B27 B23 101.40(15) . . . . ?
B25 B24 B27 B22 100.74(15) . . . . ?
B23 B24 B27 B22 -38.35(13) . . . . ?
B19 B24 B27 B22 -0.59(18) . . . . ?
B20 B24 B27 B22 63.05(17) . . . . ?
B25 B24 B27 B26 37.99(13) . . . . ?
B23 B24 B27 B26 -101.10(15) . . . . ?
B19 B24 B27 B26 -63.35(17) . . . . ?
B20 B24 B27 B26 0.30(18) . . . . ?
B1 C5 B28 B33 165.10(14) . . . . ?
C4 C5 B28 B33 -97.96(14) . . . . ?
B32 C5 B28 B33 40.85(13) . . . . ?
B31 C5 B28 B33 -61.21(17) . . . . ?
B36 C5 B28 B33 5.11(18) . . . . ?
B1 C5 B28 B32 124.25(15) . . . . ?
C4 C5 B28 B32 -138.80(14) . . . . ?
B31 C5 B28 B32 -102.06(15) . . . . ?
B36 C5 B28 B32 -35.73(13) . . . . ?
B1 C5 B28 C4 -96.95(15) . . . . ?
B32 C5 B28 C4 138.80(14) . . . . ?
B31 C5 B28 C4 36.75(13) . . . . ?
B36 C5 B28 C4 103.07(14) . . . . ?
B1 C5 B28 B29 -130.68(15) . . . . ?
C4 C5 B28 B29 -33.73(12) . . . . ?
B32 C5 B28 B29 105.07(15) . . . . ?
B31 C5 B28 B29 3.02(19) . . . . ?
B36 C5 B28 B29 69.34(17) . . . . ?
C3 C4 B28 B33 -160.40(14) . . . . ?
C5 C4 B28 B33 100.21(15) . . . . ?
B30 C4 B28 B33 -2.86(18) . . . . ?
B29 C4 B28 B33 -40.58(14) . . . . ?
B31 C4 B28 B33 64.59(16) . . . . ?
C3 C4 B28 C5 99.39(15) . . . . ?
B30 C4 B28 C5 -103.07(15) . . . . ?
B29 C4 B28 C5 -140.79(14) . . . . ?
B31 C4 B28 C5 -35.62(12) . . . . ?
C3 C4 B28 B32 135.27(14) . . . . ?
C5 C4 B28 B32 35.89(12) . . . . ?
B30 C4 B28 B32 -67.18(16) . . . . ?
B29 C4 B28 B32 -104.91(15) . . . . ?
B31 C4 B28 B32 0.26(17) . . . . ?
C3 C4 B28 B29 -119.82(16) . . . . ?
C5 C4 B28 B29 140.79(14) . . . . ?
B30 C4 B28 B29 37.73(14) . . . . ?
B31 C4 B28 B29 105.17(15) . . . . ?
C3 C4 B29 B28 102.52(17) . . . . ?
C5 C4 B29 B28 -36.74(13) . . . . ?
B30 C4 B29 B28 -140.76(15) . . . . ?
B31 C4 B29 B28 -103.28(15) . . . . ?
C3 C4 B29 B34 -156.78(15) . . . . ?
C5 C4 B29 B34 63.96(16) . . . . ?
B30 C4 B29 B34 -40.06(13) . . . . ?
B28 C4 B29 B34 100.70(15) . . . . ?
B31 C4 B29 B34 -2.58(17) . . . . ?
C3 C4 B29 B30 -116.71(18) . . . . ?
C5 C4 B29 B30 104.03(15) . . . . ?
B28 C4 B29 B30 140.76(15) . . . . ?
B31 C4 B29 B30 37.49(14) . . . . ?
C3 C4 B29 B33 141.39(16) . . . . ?
C5 C4 B29 B33 2.13(18) . . . . ?
B30 C4 B29 B33 -101.90(15) . . . . ?
B28 C4 B29 B33 38.86(13) . . . . ?
B31 C4 B29 B33 -64.41(16) . . . . ?
B33 B28 B29 C4 134.58(15) . . . . ?
C5 B28 B29 C4 33.01(12) . . . . ?
B32 B28 B29 C4 95.32(15) . . . . ?
B33 B28 B29 B34 36.98(13) . . . . ?
C5 B28 B29 B34 -64.59(16) . . . . ?
B32 B28 B29 B34 -2.28(17) . . . . ?
C4 B28 B29 B34 -97.60(14) . . . . ?
B33 B28 B29 B30 99.95(16) . . . . ?
C5 B28 B29 B30 -1.63(18) . . . . ?
B32 B28 B29 B30 60.68(18) . . . . ?
C4 B28 B29 B30 -34.64(13) . . . . ?
C5 B28 B29 B33 -101.57(15) . . . . ?
B32 B28 B29 B33 -39.27(13) . . . . ?
C4 B28 B29 B33 -134.58(15) . . . . ?
C3 C4 B30 B31 -101.84(17) . . . . ?
C5 C4 B30 B31 36.32(13) . . . . ?
B29 C4 B30 B31 140.53(14) . . . . ?
B28 C4 B30 B31 103.38(15) . . . . ?
C3 C4 B30 B34 157.77(15) . . . . ?
C5 C4 B30 B34 -64.07(16) . . . . ?
B29 C4 B30 B34 40.14(13) . . . . ?
B28 C4 B30 B34 3.00(18) . . . . ?
B31 C4 B30 B34 -100.38(15) . . . . ?
C3 C4 B30 B29 117.63(18) . . . . ?
C5 C4 B30 B29 -104.21(14) . . . . ?
B28 C4 B30 B29 -37.14(14) . . . . ?
B31 C4 B30 B29 -140.53(15) . . . . ?
C3 C4 B30 B35 -140.59(16) . . . . ?
C5 C4 B30 B35 -2.43(17) . . . . ?
B29 C4 B30 B35 101.78(15) . . . . ?
B28 C4 B30 B35 64.64(17) . . . . ?
B31 C4 B30 B35 -38.75(13) . . . . ?
B28 B29 B30 C4 35.40(13) . . . . ?
B34 B29 B30 C4 133.86(14) . . . . ?
B33 B29 B30 C4 97.06(14) . . . . ?
C4 B29 B30 B31 -35.58(13) . . . . ?
B28 B29 B30 B31 -0.18(19) . . . . ?
B34 B29 B30 B31 98.28(16) . . . . ?
B33 B29 B30 B31 61.48(17) . . . . ?
C4 B29 B30 B34 -133.86(14) . . . . ?
B28 B29 B30 B34 -98.46(15) . . . . ?
B33 B29 B30 B34 -36.81(13) . . . . ?
C4 B29 B30 B35 -97.11(14) . . . . ?
B28 B29 B30 B35 -61.71(17) . . . . ?
B34 B29 B30 B35 36.75(13) . . . . ?
B33 B29 B30 B35 -0.06(17) . . . . ?
B1 C5 B31 B35 -165.12(14) . . . . ?
C4 C5 B31 B35 97.60(14) . . . . ?
B32 C5 B31 B35 -5.04(18) . . . . ?
B36 C5 B31 B35 -40.89(13) . . . . ?
B28 C5 B31 B35 61.01(18) . . . . ?
B1 C5 B31 B36 -124.23(15) . . . . ?
C4 C5 B31 B36 138.49(13) . . . . ?
B32 C5 B31 B36 35.85(13) . . . . ?
B28 C5 B31 B36 101.90(15) . . . . ?
B1 C5 B31 C4 97.28(15) . . . . ?
B32 C5 B31 C4 -102.64(14) . . . . ?
B36 C5 B31 C4 -138.49(13) . . . . ?
B28 C5 B31 C4 -36.59(13) . . . . ?
B1 C5 B31 B30 130.75(15) . . . . ?
C4 C5 B31 B30 33.47(12) . . . . ?
B32 C5 B31 B30 -69.17(17) . . . . ?
B36 C5 B31 B30 -105.02(15) . . . . ?
B28 C5 B31 B30 -3.12(19) . . . . ?
C3 C4 B31 C5 -99.58(15) . . . . ?
B30 C4 B31 C5 140.98(14) . . . . ?
B29 C4 B31 C5 103.01(14) . . . . ?
B28 C4 B31 C5 35.83(12) . . . . ?
C3 C4 B31 B35 159.84(14) . . . . ?
C5 C4 B31 B35 -100.59(15) . . . . ?
B30 C4 B31 B35 40.40(13) . . . . ?
B29 C4 B31 B35 2.42(18) . . . . ?
B28 C4 B31 B35 -64.76(16) . . . . ?
C3 C4 B31 B36 -135.91(14) . . . . ?
C5 C4 B31 B36 -36.33(12) . . . . ?
B30 C4 B31 B36 104.66(14) . . . . ?
B29 C4 B31 B36 66.68(16) . . . . ?
B28 C4 B31 B36 -0.50(17) . . . . ?
C3 C4 B31 B30 119.44(15) . . . . ?
C5 C4 B31 B30 -140.98(14) . . . . ?
B29 C4 B31 B30 -37.97(14) . . . . ?
B28 C4 B31 B30 -105.16(15) . . . . ?
C4 B30 B31 C5 -32.91(12) . . . . ?
B34 B30 B31 C5 64.94(16) . . . . ?
B29 B30 B31 C5 1.91(18) . . . . ?
B35 B30 B31 C5 101.77(15) . . . . ?
C4 B30 B31 B35 -134.68(14) . . . . ?
B34 B30 B31 B35 -36.84(13) . . . . ?
B29 B30 B31 B35 -99.86(16) . . . . ?
C4 B30 B31 B36 -95.55(14) . . . . ?
B34 B30 B31 B36 2.29(18) . . . . ?
B29 B30 B31 B36 -60.73(18) . . . . ?
B35 B30 B31 B36 39.13(14) . . . . ?
B34 B30 B31 C4 97.84(14) . . . . ?
B29 B30 B31 C4 34.82(13) . . . . ?
B35 B30 B31 C4 134.68(14) . . . . ?
B1 C5 B32 B28 -98.32(19) . . . . ?
C4 C5 B32 B28 38.39(13) . . . . ?
B31 C5 B32 B28 105.82(14) . . . . ?
B36 C5 B32 B28 141.54(14) . . . . ?
B1 C5 B32 B36 120.15(19) . . . . ?
C4 C5 B32 B36 -103.15(14) . . . . ?
B31 C5 B32 B36 -35.72(13) . . . . ?
B28 C5 B32 B36 -141.54(14) . . . . ?
B1 C5 B32 B37 160.52(16) . . . . ?
C4 C5 B32 B37 -62.77(17) . . . . ?
B31 C5 B32 B37 4.66(18) . . . . ?
B36 C5 B32 B37 40.38(13) . . . . ?
B28 C5 B32 B37 -101.16(15) . . . . ?
B1 C5 B32 B33 -137.35(17) . . . . ?
C4 C5 B32 B33 -0.64(18) . . . . ?
B31 C5 B32 B33 66.79(17) . . . . ?
B36 C5 B32 B33 102.51(15) . . . . ?
B28 C5 B32 B33 -39.03(13) . . . . ?
B33 B28 B32 C5 -134.78(14) . . . . ?
C4 B28 B32 C5 -34.60(11) . . . . ?
B29 B28 B32 C5 -95.63(14) . . . . ?
B33 B28 B32 B36 -100.10(15) . . . . ?
C5 B28 B32 B36 34.68(12) . . . . ?
C4 B28 B32 B36 0.08(17) . . . . ?
B29 B28 B32 B36 -60.95(17) . . . . ?
B33 B28 B32 B37 -36.16(13) . . . . ?
C5 B28 B32 B37 98.62(14) . . . . ?
C4 B28 B32 B37 64.02(16) . . . . ?
B29 B28 B32 B37 2.99(18) . . . . ?
C5 B28 B32 B33 134.78(14) . . . . ?
C4 B28 B32 B33 100.18(14) . . . . ?
B29 B28 B32 B33 39.15(13) . . . . ?
C5 B28 B33 B37 -3.16(18) . . . . ?
B32 B28 B33 B37 36.51(13) . . . . ?
C4 B28 B33 B37 -62.19(17) . . . . ?
B29 B28 B33 B37 -101.13(15) . . . . ?
C5 B28 B33 B34 60.46(17) . . . . ?
B32 B28 B33 B34 100.14(16) . . . . ?
C4 B28 B33 B34 1.43(18) . . . . ?
B29 B28 B33 B34 -37.51(13) . . . . ?
C5 B28 B33 B32 -39.67(12) . . . . ?
C4 B28 B33 B32 -98.70(14) . . . . ?
B29 B28 B33 B32 -137.64(14) . . . . ?
C5 B28 B33 B29 97.97(14) . . . . ?
B32 B28 B33 B29 137.64(14) . . . . ?
C4 B28 B33 B29 38.94(12) . . . . ?
C5 B32 B33 B28 39.67(13) . . . . ?
B36 B32 B33 B28 102.15(15) . . . . ?
B37 B32 B33 B28 139.22(15) . . . . ?
C5 B32 B33 B37 -99.55(15) . . . . ?
B28 B32 B33 B37 -139.22(15) . . . . ?
B36 B32 B33 B37 -37.07(14) . . . . ?
C5 B32 B33 B34 -61.19(17) . . . . ?
B28 B32 B33 B34 -100.86(15) . . . . ?
B36 B32 B33 B34 1.29(19) . . . . ?
B37 B32 B33 B34 38.36(14) . . . . ?
C5 B32 B33 B29 1.90(18) . . . . ?
B28 B32 B33 B29 -37.77(13) . . . . ?
B36 B32 B33 B29 64.38(18) . . . . ?
B37 B32 B33 B29 101.45(15) . . . . ?
C4 B29 B33 B28 -39.86(13) . . . . ?
B34 B29 B33 B28 -137.96(14) . . . . ?
B30 B29 B33 B28 -101.04(14) . . . . ?
C4 B29 B33 B37 60.93(16) . . . . ?
B28 B29 B33 B37 100.79(15) . . . . ?
B34 B29 B33 B37 -37.17(13) . . . . ?
B30 B29 B33 B37 -0.25(17) . . . . ?
C4 B29 B33 B34 98.10(14) . . . . ?
B28 B29 B33 B34 137.96(14) . . . . ?
B30 B29 B33 B34 36.92(13) . . . . ?
C4 B29 B33 B32 -2.43(18) . . . . ?
B28 B29 B33 B32 37.43(13) . . . . ?
B34 B29 B33 B32 -100.53(15) . . . . ?
B30 B29 B33 B32 -63.61(17) . . . . ?
B28 B33 B34 B35 -64.17(19) . . . . ?
B37 B33 B34 B35 36.80(14) . . . . ?
B32 B33 B34 B35 -1.5(2) . . . . ?
B29 B33 B34 B35 -101.80(15) . . . . ?
B28 B33 B34 B30 0.33(19) . . . . ?
B37 B33 B34 B30 101.29(15) . . . . ?
B32 B33 B34 B30 63.02(18) . . . . ?
B29 B33 B34 B30 -37.31(13) . . . . ?
B28 B33 B34 B37 -100.97(15) . . . . ?
B32 B33 B34 B37 -38.28(14) . . . . ?
B29 B33 B34 B37 -138.60(14) . . . . ?
B28 B33 B34 B29 37.64(13) . . . . ?
B37 B33 B34 B29 138.60(14) . . . . ?
B32 B33 B34 B29 100.32(15) . . . . ?
C4 B30 B34 B35 99.09(14) . . . . ?
B31 B30 B34 B35 36.32(13) . . . . ?
B29 B30 B34 B35 138.52(14) . . . . ?
C4 B30 B34 B33 -1.98(18) . . . . ?
B31 B30 B34 B33 -64.75(18) . . . . ?
B29 B30 B34 B33 37.45(14) . . . . ?
B35 B30 B34 B33 -101.07(15) . . . . ?
C4 B30 B34 B37 61.60(18) . . . . ?
B31 B30 B34 B37 -1.18(19) . . . . ?
B29 B30 B34 B37 101.03(15) . . . . ?
B35 B30 B34 B37 -37.49(14) . . . . ?
C4 B30 B34 B29 -39.43(12) . . . . ?
B31 B30 B34 B29 -102.20(14) . . . . ?
B35 B30 B34 B29 -138.52(14) . . . . ?
C4 B29 B34 B35 1.73(18) . . . . ?
B28 B29 B34 B35 64.52(17) . . . . ?
B30 B29 B34 B35 -37.66(13) . . . . ?
B33 B29 B34 B35 100.92(15) . . . . ?
C4 B29 B34 B33 -99.19(14) . . . . ?
B28 B29 B34 B33 -36.40(12) . . . . ?
B30 B29 B34 B33 -138.59(14) . . . . ?
C4 B29 B34 B30 39.39(12) . . . . ?
B28 B29 B34 B30 102.19(14) . . . . ?
B33 B29 B34 B30 138.59(14) . . . . ?
C4 B29 B34 B37 -62.12(16) . . . . ?
B28 B29 B34 B37 0.67(17) . . . . ?
B30 B29 B34 B37 -101.51(15) . . . . ?
B33 B29 B34 B37 37.07(13) . . . . ?
C5 B31 B35 B34 -60.32(17) . . . . ?
B36 B31 B35 B34 -100.23(15) . . . . ?
C4 B31 B35 B34 -1.18(18) . . . . ?
B30 B31 B35 B34 37.51(13) . . . . ?
C5 B31 B35 B37 3.27(18) . . . . ?
B36 B31 B35 B37 -36.63(14) . . . . ?
C4 B31 B35 B37 62.41(17) . . . . ?
B30 B31 B35 B37 101.11(16) . . . . ?
C5 B31 B35 B36 39.90(13) . . . . ?
C4 B31 B35 B36 99.05(14) . . . . ?
B30 B31 B35 B36 137.74(14) . . . . ?
C5 B31 B35 B30 -97.84(14) . . . . ?
B36 B31 B35 B30 -137.74(14) . . . . ?
C4 B31 B35 B30 -38.69(12) . . . . ?
B33 B34 B35 B31 63.93(18) . . . . ?
B30 B34 B35 B31 -37.74(13) . . . . ?
B37 B34 B35 B31 100.60(15) . . . . ?
B29 B34 B35 B31 -0.33(19) . . . . ?
B33 B34 B35 B37 -36.68(14) . . . . ?
B30 B34 B35 B37 -138.35(14) . . . . ?
B29 B34 B35 B37 -100.93(15) . . . . ?
B33 B34 B35 B36 1.11(19) . . . . ?
B30 B34 B35 B36 -100.56(15) . . . . ?
B37 B34 B35 B36 37.79(14) . . . . ?
B29 B34 B35 B36 -63.15(18) . . . . ?
B33 B34 B35 B30 101.67(16) . . . . ?
B37 B34 B35 B30 138.35(14) . . . . ?
B29 B34 B35 B30 37.41(13) . . . . ?
C4 B30 B35 B31 39.77(12) . . . . ?
B34 B30 B35 B31 137.96(14) . . . . ?
B29 B30 B35 B31 100.96(14) . . . . ?
C4 B30 B35 B34 -98.19(14) . . . . ?
B31 B30 B35 B34 -137.96(14) . . . . ?
B29 B30 B35 B34 -37.00(13) . . . . ?
C4 B30 B35 B37 -60.84(16) . . . . ?
B31 B30 B35 B37 -100.61(15) . . . . ?
B34 B30 B35 B37 37.35(13) . . . . ?
B29 B30 B35 B37 0.35(17) . . . . ?
C4 B30 B35 B36 2.33(17) . . . . ?
B31 B30 B35 B36 -37.44(13) . . . . ?
B34 B30 B35 B36 100.52(15) . . . . ?
B29 B30 B35 B36 63.52(16) . . . . ?
B1 C5 B36 B31 98.13(18) . . . . ?
C4 C5 B36 B31 -38.96(12) . . . . ?
B32 C5 B36 B31 -141.47(14) . . . . ?
B28 C5 B36 B31 -105.99(14) . . . . ?
B1 C5 B36 B32 -120.40(19) . . . . ?
C4 C5 B36 B32 102.51(14) . . . . ?
B31 C5 B36 B32 141.47(14) . . . . ?
B28 C5 B36 B32 35.48(13) . . . . ?
B1 C5 B36 B37 -160.76(16) . . . . ?
C4 C5 B36 B37 62.15(16) . . . . ?
B32 C5 B36 B37 -40.37(13) . . . . ?
B31 C5 B36 B37 101.11(15) . . . . ?
B28 C5 B36 B37 -4.89(17) . . . . ?
B1 C5 B36 B35 137.06(16) . . . . ?
C4 C5 B36 B35 -0.03(17) . . . . ?
B32 C5 B36 B35 -102.54(14) . . . . ?
B31 C5 B36 B35 38.93(12) . . . . ?
B28 C5 B36 B35 -67.07(16) . . . . ?
B35 B31 B36 C5 134.75(14) . . . . ?
C4 B31 B36 C5 34.94(11) . . . . ?
B30 B31 B36 C5 95.76(14) . . . . ?
C5 B31 B36 B32 -34.40(12) . . . . ?
B35 B31 B36 B32 100.35(15) . . . . ?
C4 B31 B36 B32 0.54(17) . . . . ?
B30 B31 B36 B32 61.36(17) . . . . ?
C5 B31 B36 B37 -98.27(15) . . . . ?
B35 B31 B36 B37 36.49(13) . . . . ?
C4 B31 B36 B37 -63.33(16) . . . . ?
B30 B31 B36 B37 -2.51(18) . . . . ?
C5 B31 B36 B35 -134.75(14) . . . . ?
C4 B31 B36 B35 -99.82(14) . . . . ?
B30 B31 B36 B35 -38.99(14) . . . . ?
B28 B32 B36 C5 -34.91(13) . . . . ?
B37 B32 B36 C5 -134.17(14) . . . . ?
B33 B32 B36 C5 -97.42(15) . . . . ?
C5 B32 B36 B31 34.51(12) . . . . ?
B28 B32 B36 B31 -0.40(18) . . . . ?
B37 B32 B36 B31 -99.66(15) . . . . ?
B33 B32 B36 B31 -62.92(17) . . . . ?
C5 B32 B36 B37 134.17(14) . . . . ?
B28 B32 B36 B37 99.27(15) . . . . ?
B33 B32 B36 B37 36.75(14) . . . . ?
C5 B32 B36 B35 96.82(15) . . . . ?
B28 B32 B36 B35 61.91(17) . . . . ?
B37 B32 B36 B35 -37.36(14) . . . . ?
B33 B32 B36 B35 -0.61(19) . . . . ?
B31 B35 B36 C5 -39.28(12) . . . . ?
B34 B35 B36 C5 61.67(17) . . . . ?
B37 B35 B36 C5 99.63(15) . . . . ?
B30 B35 B36 C5 -1.44(17) . . . . ?
B34 B35 B36 B31 100.95(16) . . . . ?
B37 B35 B36 B31 138.91(15) . . . . ?
B30 B35 B36 B31 37.83(13) . . . . ?
B31 B35 B36 B32 -101.25(15) . . . . ?
B34 B35 B36 B32 -0.30(19) . . . . ?
B37 B35 B36 B32 37.65(14) . . . . ?
B30 B35 B36 B32 -63.42(17) . . . . ?
B31 B35 B36 B37 -138.91(15) . . . . ?
B34 B35 B36 B37 -37.96(14) . . . . ?
B30 B35 B36 B37 -101.07(16) . . . . ?
B28 B33 B37 B35 64.16(17) . . . . ?
B34 B33 B37 B35 -36.57(13) . . . . ?
B32 B33 B37 B35 100.41(15) . . . . ?
B29 B33 B37 B35 0.47(18) . . . . ?
B28 B33 B37 B36 0.23(19) . . . . ?
B34 B33 B37 B36 -100.50(16) . . . . ?
B32 B33 B37 B36 36.49(13) . . . . ?
B29 B33 B37 B36 -63.46(17) . . . . ?
B28 B33 B37 B34 100.73(15) . . . . ?
B32 B33 B37 B34 136.99(15) . . . . ?
B29 B33 B37 B34 37.04(13) . . . . ?
B28 B33 B37 B32 -36.26(13) . . . . ?
B34 B33 B37 B32 -136.99(15) . . . . ?
B29 B33 B37 B32 -99.95(15) . . . . ?
B31 B35 B37 B33 -64.30(17) . . . . ?
B34 B35 B37 B33 36.69(13) . . . . ?
B36 B35 B37 B33 -100.80(15) . . . . ?
B30 B35 B37 B33 -0.50(18) . . . . ?
B31 B35 B37 B36 36.50(14) . . . . ?
B34 B35 B37 B36 137.49(15) . . . . ?
B30 B35 B37 B36 100.30(15) . . . . ?
B31 B35 B37 B34 -101.00(16) . . . . ?
B36 B35 B37 B34 -137.49(15) . . . . ?
B30 B35 B37 B34 -37.20(13) . . . . ?
B31 B35 B37 B32 -0.49(19) . . . . ?
B34 B35 B37 B32 100.51(16) . . . . ?
B36 B35 B37 B32 -36.99(14) . . . . ?
B30 B35 B37 B32 63.31(17) . . . . ?
C5 B36 B37 B33 2.79(18) . . . . ?
B31 B36 B37 B33 65.08(17) . . . . ?
B32 B36 B37 B33 -37.00(14) . . . . ?
B35 B36 B37 B33 101.14(16) . . . . ?
C5 B36 B37 B35 -98.35(15) . . . . ?
B31 B36 B37 B35 -36.06(13) . . . . ?
B32 B36 B37 B35 -138.14(15) . . . . ?
C5 B36 B37 B34 -60.58(17) . . . . ?
B31 B36 B37 B34 1.71(19) . . . . ?
B32 B36 B37 B34 -100.37(16) . . . . ?
B35 B36 B37 B34 37.77(14) . . . . ?
C5 B36 B37 B32 39.79(13) . . . . ?
B31 B36 B37 B32 102.08(15) . . . . ?
B35 B36 B37 B32 138.14(15) . . . . ?
B35 B34 B37 B33 -139.04(15) . . . . ?
B30 B34 B37 B33 -101.26(16) . . . . ?
B29 B34 B37 B33 -37.37(13) . . . . ?
B33 B34 B37 B35 139.04(15) . . . . ?
B30 B34 B37 B35 37.78(14) . . . . ?
B29 B34 B37 B35 101.67(15) . . . . ?
B35 B34 B37 B36 -38.09(14) . . . . ?
B33 B34 B37 B36 100.94(15) . . . . ?
B30 B34 B37 B36 -0.32(19) . . . . ?
B29 B34 B37 B36 63.58(18) . . . . ?
B35 B34 B37 B32 -100.55(15) . . . . ?
B33 B34 B37 B32 38.49(13) . . . . ?
B30 B34 B37 B32 -62.77(18) . . . . ?
B29 B34 B37 B32 1.12(18) . . . . ?
C5 B32 B37 B33 98.82(15) . . . . ?
B28 B32 B37 B33 35.81(13) . . . . ?
B36 B32 B37 B33 138.82(15) . . . . ?
C5 B32 B37 B35 -2.47(18) . . . . ?
B28 B32 B37 B35 -65.48(17) . . . . ?
B36 B32 B37 B35 37.53(14) . . . . ?
B33 B32 B37 B35 -101.29(16) . . . . ?
C5 B32 B37 B36 -40.00(13) . . . . ?
B28 B32 B37 B36 -103.01(15) . . . . ?
B33 B32 B37 B36 -138.82(15) . . . . ?
C5 B32 B37 B34 60.52(17) . . . . ?
B28 B32 B37 B34 -2.49(18) . . . . ?
B36 B32 B37 B34 100.51(16) . . . . ?
B33 B32 B37 B34 -38.31(13) . . . . ?


####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 2359954'
loop_
_audit_author_name
_audit_author_address
'Qing Ye'
;University of Wuerzburg
Germany
;
_audit_update_record             
;
2024-06-02 deposited with the CCDC.	2024-06-19 downloaded from the CCDC.
;


_audit_creation_method           'CIF-fill 1.3q (K.Radacki, 2005-22)'
_audit_creation_date             2023-02-02
_shelx_SHELXL_version_number     2019/2
_chemical_formula_moiety         '2(C15 H39 B21 N2), C7 H8'
_chemical_formula_sum            'C37 H86 B42 N4'
_chemical_formula_weight         1041.11
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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                   10.4445(3)
_cell_length_b                   11.4808(4)
_cell_length_c                   14.0816(5)
_cell_angle_alpha                67.709(3)
_cell_angle_beta                 86.457(3)
_cell_angle_gamma                76.241(3)
_cell_volume                     1516.77(9)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    10984
_cell_measurement_theta_min      3.3920
_cell_measurement_theta_max      72.9120

_exptl_crystal_description       block
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_density_diffrn    1.140
_exptl_crystal_F_000             546
_exptl_crystal_size_max          0.142
_exptl_crystal_size_mid          0.121
_exptl_crystal_size_min          0.089
_exptl_absorpt_coefficient_mu    0.384
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_correction_T_min  0.820
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   
;
 CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Numerical 
 absorption correction based on gaussian integration over a multifaceted 
 crystal model Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_preparation       
;
 Crystals were grown from saturated solution. For data collection the crystal 
 was immersed in a film of perfluoropolyether oil, mounted on a polyimide 
 loop and transferred to stream of cold nitrogen (Oxford Cryostream 800).
;
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 1 0 0.0685
0 -1 0 0.0501
0 1 -2 0.0735
-1 0 2 0.0607
1 1 1 0.0279
1 0 -2 0.0770
2 1 1 0.0285
1 1 2 0.0389
-1 2 -1 0.0719
1 -1 2 0.0412
-2 -2 -1 0.0443
1 -1 -2 0.0513
-2 1 0 0.0654
1 2 1 0.0407
-2 -1 -2 0.0611
2 -1 0 0.0368

_shelx_estimated_absorpt_T_min   0.948
_shelx_estimated_absorpt_T_max   0.967
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_xray_symbol    K-L~2,3~
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_source                   'rotating-anode X-ray tube'
_diffrn_source_type              'PhotonJet-R X-ray Source'
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku XtaLAB Synergy-R'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_details      
;
 List of Runs (angles in degrees, time in seconds):
 --------------------------------------------------------------------------
  1  ω    -86.00 -51.00   0.50    1.50    --  -38.00 -51.00 -30.51   70
  2  ω    -98.00 -63.00   0.50    1.50    --  -50.00 -51.00  69.15   70
  3  ω    -99.00 -64.00   0.50    1.50    --  -50.00 -47.00 178.46   70
  4  ω   -102.00 -67.00   0.50    1.50    --  -54.00 -52.00 -50.06   70
  5  ω   -120.00 -82.00   0.50    1.50    --  -70.00 -42.00-121.31   76
  6  ω   -121.00 -86.00   0.50    1.50    --  -74.00 -58.00  39.79   70
  7  ω   -124.00 -86.00   0.50    1.50    --  -74.00 -42.00 -76.39   76
  8  ω    -92.00 -31.00   0.50    1.50    --  -76.35 112.00 120.00  122
  9  ω    -98.00 -32.00   0.50    1.50    --  -78.00 118.00-143.13  132
 10  ω   -107.00 -33.00   0.50    1.50    --  -79.50 138.00-139.62  148
 11  ω    -97.00 -33.00   0.50    1.50    --  -79.50 117.00 -28.90  128
 12  ω   -127.00 -92.00   0.50    1.50    --  -79.50 -54.00 126.44   70
 13  ω    -97.00 -33.00   0.50    1.50    --  -79.50 115.00  19.22  128
 14  ω   -125.00 -91.00   0.50    1.50    --  -79.50 -60.00 178.76   68
 15  ω   -125.00 -96.00   0.50    1.50    --  -79.50-115.00-115.73   58
 16  ω   -126.00 -92.00   0.50    1.50    --  -79.50-123.00  91.90   68
 17  ω   -126.00 -92.00   0.50    1.50    --  -79.50 -57.00-138.97   68
 18  ω   -125.00 -91.00   0.50    1.50    --  -79.50 -61.00  47.11   68
 19  ω   -127.00 -92.00   0.50    1.50    --  -79.50 -53.00 -33.69   70
 20  ω   -127.00 -90.00   0.50    1.50    --  -79.50-126.00 138.04   74
 21  ω   -125.00 -91.00   0.50    1.50    --  -79.50 -60.00-122.64   68
 22  ω   -130.00 -90.00   0.50    1.50    --  -79.50 -38.00  72.95   80
 23  ω    -92.00 -34.00   0.50    1.50    --  -79.50 104.00 -25.90  116
 24  ω     40.00  90.00   0.50    1.50    --   82.28 -95.00 -30.00  100
 25  ω     40.00  90.00   0.50    1.50    --   82.28 -95.00-150.00  100
 26  ω     46.00 133.00   0.50    1.50    --   82.28  15.00  30.00  174
 27  ω     40.00  90.00   0.50    1.50    --   82.28 -95.00 150.00  100
 28  ω     40.00  90.00   0.50    1.50    --   82.28 -95.00  90.00  100
 29  ω     40.00  90.00   0.50    1.50    --   82.28 -95.00   0.00  100
 30  ω     40.00  90.00   0.50    1.50    --   82.28 -95.00 120.00  100
 31  ω     46.00 133.00   0.50    1.50    --   82.28  15.00-180.00  174
 32  ω     37.00  93.00   0.50    1.50    --   82.28-112.00-120.00  112
 33  ω     40.00  90.00   0.50    1.50    --   82.28 -95.00  60.00  100
 34  ω     37.00  93.00   0.50    1.50    --   82.28-112.00 120.00  112
 35  ω     40.00  90.00   0.50    1.50    --   82.28 -95.00-120.00  100
 36  ω     40.00  90.00   0.50    1.50    --   82.28 -95.00 -90.00  100
 37  ω     46.00 133.00   0.50    1.50    --   82.28  15.00 150.00  174
 38  ω     40.00  90.00   0.50    1.50    --   82.28 -95.00  30.00  100
 39  ω     46.00 133.00   0.50    1.50    --   82.28  15.00-120.00  174
 40  ω     40.00  90.00   0.50    1.50    --   82.28 -95.00 -60.00  100
 41  ω    103.00 131.00   0.50    1.50    --   85.25 114.00-156.99   56
 42  ω     40.00  93.00   0.50    1.50    --   85.25-105.00-163.14  106
 43  ω    -54.00 -26.00   0.50    1.50    --  -14.00 -57.00  68.83   56
 44  ω    -42.00 -14.00   0.50    1.50    --  -14.00 126.00 128.29   56
 45  ω    -95.00 -60.00   0.50    1.50    --  -46.00 -48.00-105.93   70
 46  ω    -94.00 -59.00   0.50    1.50    --  -46.00 -51.00  27.04   70
 47  ω   -125.00 -90.00   0.50    1.50    --  -78.00 -55.00   7.90   70
 48  ω   -127.00 -89.00   0.50    1.50    --  -79.50-129.00-169.60   76
 49  ω   -126.00 -92.00   0.50    1.50    --  -79.50-123.00  58.61   68
 50  ω   -125.00 -97.00   0.50    1.50    --  -79.50-113.00 -24.63   56
 51  ω   -126.00 -93.00   0.50    1.50    --  -79.50-120.00  28.32   66
;
_diffrn_orient_matrix_type       
;
 CrysAlisPro convention (1999,Acta A55,543-557)
;
_diffrn_orient_matrix_UB_11      0.1479262000
_diffrn_orient_matrix_UB_12      -0.0593323000
_diffrn_orient_matrix_UB_13      -0.0042181000
_diffrn_orient_matrix_UB_21      -0.0217288000
_diffrn_orient_matrix_UB_22      -0.1350711000
_diffrn_orient_matrix_UB_23      0.0665722000
_diffrn_orient_matrix_UB_31      -0.0270100000
_diffrn_orient_matrix_UB_32      -0.0215757000
_diffrn_orient_matrix_UB_33      -0.0976976000
_diffrn_detector                 HPA
_diffrn_detector_type            'HyPix Arc150'
_diffrn_detector_area_resol_mean 10.0
_diffrn_reflns_number            29929
_diffrn_reflns_av_unetI/netI     0.0396
_diffrn_reflns_av_R_equivalents  0.0663
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         3.394
_diffrn_reflns_theta_max         74.860
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             5998
_reflns_number_gt                4804
_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       'CrysAlisPro 1.171.42.72a (Rigaku OD, 2022)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.72a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.72a (Rigaku OD, 2022)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'ShelXLe (Huebschle et all, 2011)'
_computing_publication_material  'SHELXL-2019/2 (Sheldrick, 2019)'

_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)+(0.1782P)²+0.2248P] where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5998
_refine_ls_number_parameters     355
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0901
_refine_ls_R_factor_gt           0.0768
_refine_ls_wR_factor_ref         0.2324
_refine_ls_wR_factor_gt          0.2164
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.605
_refine_diff_density_min         -0.493
_refine_diff_density_rms         0.085
_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_
_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
B1_1 B 0.7049(2) 0.24384(19) 0.30167(17) 0.0270(5) Uani 1 1 d . . . . .
C2_1 C 0.57594(19) 0.19492(17) 0.28687(14) 0.0266(4) Uani 1 1 d . . . . .
N3_1 N 0.44394(16) 0.21367(15) 0.29887(13) 0.0283(4) Uani 1 1 d . . . . .
C4_1 C 0.3920(2) 0.15063(18) 0.24790(16) 0.0302(4) Uani 1 1 d . . . . .
C5_1 C 0.4940(2) 0.09269(18) 0.20453(16) 0.0308(4) Uani 1 1 d . . . . .
N6_1 N 0.60602(16) 0.11959(14) 0.23125(13) 0.0287(4) Uani 1 1 d . . . . .
C7_1 C 0.3715(2) 0.2817(2) 0.36367(16) 0.0335(5) Uani 1 1 d . . . . .
H7_1 H 0.436136 0.318359 0.386449 0.040 Uiso 1 1 calc R U . . .
C8_1 C 0.3251(2) 0.1870(3) 0.46065(19) 0.0462(6) Uani 1 1 d . . . . .
H8A_1 H 0.255272 0.154573 0.442398 0.069 Uiso 1 1 calc R U . . .
H8B_1 H 0.290785 0.231144 0.507549 0.069 Uiso 1 1 calc R U . . .
H8C_1 H 0.399347 0.114256 0.494315 0.069 Uiso 1 1 calc R U . . .
C9_1 C 0.2620(2) 0.3953(2) 0.3035(2) 0.0449(6) Uani 1 1 d . . . . .
H9A_1 H 0.293483 0.442382 0.235923 0.067 Uiso 1 1 calc R U . . .
H9B_1 H 0.235632 0.453502 0.340862 0.067 Uiso 1 1 calc R U . . .
H9C_1 H 0.186089 0.363595 0.294678 0.067 Uiso 1 1 calc R U . . .
C10_1 C 0.2487(2) 0.1567(2) 0.23839(18) 0.0368(5) Uani 1 1 d . . . . .
H10A_1 H 0.202245 0.245866 0.198537 0.055 Uiso 1 1 calc R U . . .
H10B_1 H 0.212013 0.127868 0.306959 0.055 Uiso 1 1 calc R U . . .
H10C_1 H 0.237693 0.100164 0.203435 0.055 Uiso 1 1 calc R U . . .
C11_1 C 0.4956(2) 0.0203(2) 0.13586(18) 0.0400(5) Uani 1 1 d . . . . .
H11A_1 H 0.406287 0.037803 0.107973 0.060 Uiso 1 1 calc R U . . .
H11B_1 H 0.526548 -0.072710 0.175180 0.060 Uiso 1 1 calc R U . . .
H11C_1 H 0.554922 0.048202 0.079347 0.060 Uiso 1 1 calc R U . . .
C12_1 C 0.74652(19) 0.08822(19) 0.20499(16) 0.0309(4) Uani 1 1 d . . . . .
H12_1 H 0.756964 0.140892 0.131106 0.037 Uiso 1 1 calc R U . . .
C13_1 C 0.81449(19) 0.13515(18) 0.27276(16) 0.0297(4) Uani 1 1 d . . . . .
H13A_1 H 0.887270 0.173348 0.235504 0.036 Uiso 1 1 calc R U . . .
H13B_1 H 0.851919 0.061416 0.336232 0.036 Uiso 1 1 calc R U . . .
C14_1 C 0.7979(2) -0.0544(2) 0.22402(18) 0.0376(5) Uani 1 1 d . . . . .
H14A_1 H 0.758241 -0.075050 0.172856 0.056 Uiso 1 1 calc R U . . .
H14B_1 H 0.774663 -0.106773 0.292955 0.056 Uiso 1 1 calc R U . . .
H14C_1 H 0.894047 -0.073382 0.218534 0.056 Uiso 1 1 calc R U . . .
C1_2 C 0.74065(18) 0.25159(17) 0.41411(15) 0.0264(4) Uani 1 1 d . . . . .
C2_2 C 0.77747(18) 0.39343(17) 0.38966(15) 0.0261(4) Uani 1 1 d . . . . .
B3_2 B 0.6423(2) 0.3621(2) 0.46372(17) 0.0273(5) Uani 1 1 d . . . . .
H3_2 H 0.537214 0.412102 0.438311 0.033 Uiso 1 1 calc R U . . .
B4_2 B 0.6859(2) 0.1966(2) 0.53956(17) 0.0297(5) Uani 1 1 d . . . . .
H4_2 H 0.610760 0.136482 0.563765 0.036 Uiso 1 1 calc R U . . .
B5_2 B 0.8468(2) 0.1324(2) 0.51049(18) 0.0298(5) Uani 1 1 d . . . . .
H5_2 H 0.877048 0.029464 0.516344 0.036 Uiso 1 1 calc R U . . .
B6_2 B 0.9059(2) 0.2560(2) 0.41523(18) 0.0280(5) Uani 1 1 d . . . . .
H6_2 H 0.976864 0.235232 0.357539 0.034 Uiso 1 1 calc R U . . .
B7_2 B 0.9131(2) 0.3787(2) 0.46052(18) 0.0290(5) Uani 1 1 d . . . . .
H7_2 H 0.986848 0.439896 0.431975 0.035 Uiso 1 1 calc R U . . .
B8_2 B 0.7506(2) 0.4436(2) 0.49091(17) 0.0291(5) Uani 1 1 d . . . . .
H8_2 H 0.718244 0.547349 0.482552 0.035 Uiso 1 1 calc R U . . .
B9_2 B 0.6946(2) 0.3161(2) 0.59081(18) 0.0308(5) Uani 1 1 d . . . . .
H9_2 H 0.625759 0.334745 0.650350 0.037 Uiso 1 1 calc R U . . .
B10_2 B 0.8220(2) 0.1733(2) 0.62107(18) 0.0314(5) Uani 1 1 d . . . . .
H10_2 H 0.837027 0.097559 0.700673 0.038 Uiso 1 1 calc R U . . .
B11_2 B 0.9569(2) 0.2118(2) 0.54184(18) 0.0304(5) Uani 1 1 d . . . . .
H11_2 H 1.061295 0.161554 0.569188 0.036 Uiso 1 1 calc R U . . .
B12_2 B 0.8627(2) 0.3260(2) 0.59011(18) 0.0314(5) Uani 1 1 d . . . . .
H12_2 H 0.904674 0.351503 0.648970 0.038 Uiso 1 1 calc R U . . .
C1_3 C 0.70172(19) 0.39455(18) 0.21685(15) 0.0273(4) Uani 1 1 d . . . . .
C2_3 C 0.74573(18) 0.47893(17) 0.27619(15) 0.0259(4) Uani 1 1 d . . . . .
B3_3 B 0.8540(2) 0.4368(2) 0.18995(18) 0.0298(5) Uani 1 1 d . . . . .
H3_3 H 0.951372 0.365055 0.211186 0.036 Uiso 1 1 calc R U . . .
B4_3 B 0.7530(2) 0.4467(2) 0.09117(18) 0.0332(5) Uani 1 1 d . . . . .
H4_3 H 0.782374 0.381294 0.047469 0.040 Uiso 1 1 calc R U . . .
B5_3 B 0.5872(2) 0.4948(2) 0.11945(18) 0.0318(5) Uani 1 1 d . . . . .
H5_3 H 0.508085 0.461161 0.093893 0.038 Uiso 1 1 calc R U . . .
B6_3 B 0.5816(2) 0.5146(2) 0.23633(18) 0.0283(5) Uani 1 1 d . . . . .
H6_3 H 0.497541 0.494697 0.288645 0.034 Uiso 1 1 calc R U . . .
B7_3 B 0.6613(2) 0.6383(2) 0.22834(18) 0.0301(5) Uani 1 1 d . . . . .
H7_3 H 0.631464 0.698935 0.275894 0.036 Uiso 1 1 calc R U . . .
B8_3 B 0.8299(2) 0.5907(2) 0.19906(18) 0.0296(5) Uani 1 1 d . . . . .
H8_3 H 0.909978 0.620682 0.227130 0.035 Uiso 1 1 calc R U . . .
B9_3 B 0.8326(2) 0.5746(2) 0.07720(18) 0.0331(5) Uani 1 1 d . . . . .
H9_3 H 0.914862 0.595658 0.023171 0.040 Uiso 1 1 calc R U . . .
B10_3 B 0.6675(2) 0.6118(2) 0.03176(19) 0.0348(5) Uani 1 1 d . . . . .
H10_3 H 0.641023 0.657154 -0.052355 0.042 Uiso 1 1 calc R U . . .
B11_3 B 0.5609(2) 0.6529(2) 0.12383(18) 0.0326(5) Uani 1 1 d . . . . .
H11_3 H 0.464352 0.725648 0.100633 0.039 Uiso 1 1 calc R U . . .
B12_3 B 0.7134(2) 0.7005(2) 0.09919(18) 0.0324(5) Uani 1 1 d . . . . .
H12_3 H 0.717043 0.804605 0.059818 0.039 Uiso 1 1 calc R U . . .
C1_11 C 1.1405(3) 0.7722(2) 0.0958(3) 0.0535(6) Uiso 0.5 1 d G U P A -1
H1A_11 H 1.209971 0.777810 0.136471 0.080 Uiso 0.5 1 calc R U P A -1
H1B_11 H 1.086431 0.716000 0.141319 0.080 Uiso 0.5 1 calc R U P A -1
H1C_11 H 1.180619 0.736163 0.045152 0.080 Uiso 0.5 1 calc R U P A -1
C2_11 C 1.0551(2) 0.9052(2) 0.0413(2) 0.0535(6) Uiso 0.5 1 d G U P A -1
C3_11 C 0.9486(3) 0.9243(2) -0.0219(2) 0.0535(6) Uiso 0.5 1 d G U P A -1
H3_11 H 0.929478 0.851827 -0.030272 0.064 Uiso 0.5 1 calc R U P A -1
C4_11 C 0.8702(3) 1.0456(3) -0.0726(2) 0.0535(6) Uiso 0.5 1 d G U P A -1
H4_11 H 0.797948 1.056425 -0.115336 0.064 Uiso 0.5 1 calc R U P A -1
C5_11 C 0.8976(3) 1.1522(2) -0.0608(2) 0.0535(6) Uiso 0.5 1 d G U P A -1
H5_11 H 0.844213 1.236293 -0.095719 0.064 Uiso 0.5 1 calc R U P A -1
C6_11 C 1.0026(3) 1.1352(2) 0.0018(3) 0.0535(6) Uiso 0.5 1 d G U P A -1
H6_11 H 1.021066 1.207896 0.010212 0.064 Uiso 0.5 1 calc R U P A -1
C7_11 C 1.0808(3) 1.0134(2) 0.0521(2) 0.0535(6) Uiso 0.5 1 d G U P A -1
H7_11 H 1.153074 1.003021 0.094713 0.064 Uiso 0.5 1 calc R U P A -1


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
B1_1 C2_1 1.630(3) . ?
B1_1 C13_1 1.638(3) . ?
B1_1 C1_3 1.683(3) . ?
B1_1 C1_2 1.688(3) . ?
C2_1 N6_1 1.347(2) . ?
C2_1 N3_1 1.354(2) . ?
N3_1 C4_1 1.401(3) . ?
N3_1 C7_1 1.480(2) . ?
C4_1 C5_1 1.357(3) . ?
C4_1 C10_1 1.495(3) . ?
C5_1 N6_1 1.386(3) . ?
C5_1 C11_1 1.493(3) . ?
N6_1 C12_1 1.484(2) . ?
C7_1 C9_1 1.517(3) . ?
C7_1 C8_1 1.525(3) . ?
C7_1 H7_1 1.0000 . ?
C8_1 H8A_1 0.9800 . ?
C8_1 H8B_1 0.9800 . ?
C8_1 H8C_1 0.9800 . ?
C9_1 H9A_1 0.9800 . ?
C9_1 H9B_1 0.9800 . ?
C9_1 H9C_1 0.9800 . ?
C10_1 H10A_1 0.9800 . ?
C10_1 H10B_1 0.9800 . ?
C10_1 H10C_1 0.9800 . ?
C11_1 H11A_1 0.9800 . ?
C11_1 H11B_1 0.9800 . ?
C11_1 H11C_1 0.9800 . ?
C12_1 C14_1 1.519(3) . ?
C12_1 C13_1 1.536(3) . ?
C12_1 H12_1 1.0000 . ?
C13_1 H13A_1 0.9900 . ?
C13_1 H13B_1 0.9900 . ?
C14_1 H14A_1 0.9800 . ?
C14_1 H14B_1 0.9800 . ?
C14_1 H14C_1 0.9800 . ?
C1_2 C2_2 1.666(2) . ?
C1_2 B5_2 1.732(3) . ?
C1_2 B6_2 1.740(3) . ?
C1_2 B4_2 1.745(3) . ?
C1_2 B3_2 1.765(3) . ?
C2_2 C2_3 1.532(3) . ?
C2_2 B8_2 1.714(3) . ?
C2_2 B7_2 1.721(3) . ?
C2_2 B3_2 1.728(3) . ?
C2_2 B6_2 1.744(3) . ?
B3_2 B9_2 1.746(3) . ?
B3_2 B4_2 1.751(3) . ?
B3_2 B8_2 1.770(3) . ?
B3_2 H3_2 1.1200 . ?
B4_2 B5_2 1.757(3) . ?
B4_2 B10_2 1.788(3) . ?
B4_2 B9_2 1.798(3) . ?
B4_2 H4_2 1.1200 . ?
B5_2 B6_2 1.751(3) . ?
B5_2 B10_2 1.777(3) . ?
B5_2 B11_2 1.793(3) . ?
B5_2 H5_2 1.1200 . ?
B6_2 B11_2 1.738(3) . ?
B6_2 B7_2 1.770(3) . ?
B6_2 H6_2 1.1200 . ?
B7_2 B12_2 1.780(3) . ?
B7_2 B8_2 1.780(3) . ?
B7_2 B11_2 1.782(3) . ?
B7_2 H7_2 1.1200 . ?
B8_2 B12_2 1.779(3) . ?
B8_2 B9_2 1.790(3) . ?
B8_2 H8_2 1.1200 . ?
B9_2 B10_2 1.773(3) . ?
B9_2 B12_2 1.786(3) . ?
B9_2 H9_2 1.1200 . ?
B10_2 B11_2 1.776(3) . ?
B10_2 B12_2 1.788(3) . ?
B10_2 H10_2 1.1200 . ?
B11_2 B12_2 1.769(3) . ?
B11_2 H11_2 1.1200 . ?
B12_2 H12_2 1.1200 . ?
C1_3 C2_3 1.650(3) . ?
C1_3 B6_3 1.723(3) . ?
C1_3 B5_3 1.728(3) . ?
C1_3 B4_3 1.735(3) . ?
C1_3 B3_3 1.749(3) . ?
C2_3 B7_3 1.718(3) . ?
C2_3 B8_3 1.721(3) . ?
C2_3 B3_3 1.733(3) . ?
C2_3 B6_3 1.741(3) . ?
B3_3 B9_3 1.745(3) . ?
B3_3 B4_3 1.751(3) . ?
B3_3 B8_3 1.778(3) . ?
B3_3 H3_3 1.1200 . ?
B4_3 B5_3 1.757(3) . ?
B4_3 B10_3 1.782(3) . ?
B4_3 B9_3 1.797(3) . ?
B4_3 H4_3 1.1200 . ?
B5_3 B6_3 1.741(3) . ?
B5_3 B10_3 1.784(3) . ?
B5_3 B11_3 1.795(3) . ?
B5_3 H5_3 1.1200 . ?
B6_3 B11_3 1.746(3) . ?
B6_3 B7_3 1.775(3) . ?
B6_3 H6_3 1.1200 . ?
B7_3 B12_3 1.786(3) . ?
B7_3 B8_3 1.787(3) . ?
B7_3 B11_3 1.792(3) . ?
B7_3 H7_3 1.1200 . ?
B8_3 B12_3 1.784(3) . ?
B8_3 B9_3 1.792(3) . ?
B8_3 H8_3 1.1200 . ?
B9_3 B10_3 1.773(3) . ?
B9_3 B12_3 1.780(3) . ?
B9_3 H9_3 1.1200 . ?
B10_3 B11_3 1.783(3) . ?
B10_3 B12_3 1.786(3) . ?
B10_3 H10_3 1.1200 . ?
B11_3 B12_3 1.777(3) . ?
B11_3 H11_3 1.1200 . ?
B12_3 H12_3 1.1200 . ?
C1_11 C2_11 1.5049 . ?
C1_11 H1A_11 0.9800 . ?
C1_11 H1B_11 0.9800 . ?
C1_11 H1C_11 0.9800 . ?
C2_11 C3_11 1.3913 . ?
C2_11 C7_11 1.3945 . ?
C3_11 C4_11 1.3766 . ?
C3_11 H3_11 0.9500 . ?
C4_11 C5_11 1.3895 . ?
C4_11 H4_11 0.9500 . ?
C5_11 C6_11 1.3806 . ?
C5_11 H5_11 0.9500 . ?
C6_11 C7_11 1.3793 . ?
C6_11 H6_11 0.9500 . ?
C7_11 H7_11 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2_1 B1_1 C13_1 96.55(14) . . ?
C2_1 B1_1 C1_3 111.61(15) . . ?
C13_1 B1_1 C1_3 111.63(16) . . ?
C2_1 B1_1 C1_2 121.61(16) . . ?
C13_1 B1_1 C1_2 112.90(15) . . ?
C1_3 B1_1 C1_2 102.79(14) . . ?
N6_1 C2_1 N3_1 105.96(17) . . ?
N6_1 C2_1 B1_1 110.18(16) . . ?
N3_1 C2_1 B1_1 143.18(17) . . ?
C2_1 N3_1 C4_1 109.42(16) . . ?
C2_1 N3_1 C7_1 123.62(16) . . ?
C4_1 N3_1 C7_1 126.77(16) . . ?
C5_1 C4_1 N3_1 107.36(17) . . ?
C5_1 C4_1 C10_1 127.66(19) . . ?
N3_1 C4_1 C10_1 124.84(18) . . ?
C4_1 C5_1 N6_1 106.00(17) . . ?
C4_1 C5_1 C11_1 130.70(19) . . ?
N6_1 C5_1 C11_1 123.20(18) . . ?
C2_1 N6_1 C5_1 111.24(17) . . ?
C2_1 N6_1 C12_1 116.23(16) . . ?
C5_1 N6_1 C12_1 132.41(16) . . ?
N3_1 C7_1 C9_1 111.96(18) . . ?
N3_1 C7_1 C8_1 110.92(17) . . ?
C9_1 C7_1 C8_1 113.51(19) . . ?
N3_1 C7_1 H7_1 106.7 . . ?
C9_1 C7_1 H7_1 106.7 . . ?
C8_1 C7_1 H7_1 106.7 . . ?
C7_1 C8_1 H8A_1 109.5 . . ?
C7_1 C8_1 H8B_1 109.5 . . ?
H8A_1 C8_1 H8B_1 109.5 . . ?
C7_1 C8_1 H8C_1 109.5 . . ?
H8A_1 C8_1 H8C_1 109.5 . . ?
H8B_1 C8_1 H8C_1 109.5 . . ?
C7_1 C9_1 H9A_1 109.5 . . ?
C7_1 C9_1 H9B_1 109.5 . . ?
H9A_1 C9_1 H9B_1 109.5 . . ?
C7_1 C9_1 H9C_1 109.5 . . ?
H9A_1 C9_1 H9C_1 109.5 . . ?
H9B_1 C9_1 H9C_1 109.5 . . ?
C4_1 C10_1 H10A_1 109.5 . . ?
C4_1 C10_1 H10B_1 109.5 . . ?
H10A_1 C10_1 H10B_1 109.5 . . ?
C4_1 C10_1 H10C_1 109.5 . . ?
H10A_1 C10_1 H10C_1 109.5 . . ?
H10B_1 C10_1 H10C_1 109.5 . . ?
C5_1 C11_1 H11A_1 109.5 . . ?
C5_1 C11_1 H11B_1 109.5 . . ?
H11A_1 C11_1 H11B_1 109.5 . . ?
C5_1 C11_1 H11C_1 109.5 . . ?
H11A_1 C11_1 H11C_1 109.5 . . ?
H11B_1 C11_1 H11C_1 109.5 . . ?
N6_1 C12_1 C14_1 112.59(17) . . ?
N6_1 C12_1 C13_1 102.32(15) . . ?
C14_1 C12_1 C13_1 113.95(17) . . ?
N6_1 C12_1 H12_1 109.2 . . ?
C14_1 C12_1 H12_1 109.2 . . ?
C13_1 C12_1 H12_1 109.2 . . ?
C12_1 C13_1 B1_1 108.49(15) . . ?
C12_1 C13_1 H13A_1 110.0 . . ?
B1_1 C13_1 H13A_1 110.0 . . ?
C12_1 C13_1 H13B_1 110.0 . . ?
B1_1 C13_1 H13B_1 110.0 . . ?
H13A_1 C13_1 H13B_1 108.4 . . ?
C12_1 C14_1 H14A_1 109.5 . . ?
C12_1 C14_1 H14B_1 109.5 . . ?
H14A_1 C14_1 H14B_1 109.5 . . ?
C12_1 C14_1 H14C_1 109.5 . . ?
H14A_1 C14_1 H14C_1 109.5 . . ?
H14B_1 C14_1 H14C_1 109.5 . . ?
C2_2 C1_2 B1_1 108.50(14) . . ?
C2_2 C1_2 B5_2 109.02(14) . . ?
B1_1 C1_2 B5_2 125.71(15) . . ?
C2_2 C1_2 B6_2 61.55(11) . . ?
B1_1 C1_2 B6_2 108.15(15) . . ?
B5_2 C1_2 B6_2 60.57(12) . . ?
C2_2 C1_2 B4_2 108.20(14) . . ?
B1_1 C1_2 B4_2 136.13(15) . . ?
B5_2 C1_2 B4_2 60.70(12) . . ?
B6_2 C1_2 B4_2 110.00(15) . . ?
C2_2 C1_2 B3_2 60.41(11) . . ?
B1_1 C1_2 B3_2 123.09(15) . . ?
B5_2 C1_2 B3_2 109.21(15) . . ?
B6_2 C1_2 B3_2 110.90(14) . . ?
B4_2 C1_2 B3_2 59.85(12) . . ?
C2_3 C2_2 C1_2 109.13(15) . . ?
C2_3 C2_2 B8_2 126.17(15) . . ?
C1_2 C2_2 B8_2 113.26(14) . . ?
C2_3 C2_2 B7_2 126.60(16) . . ?
C1_2 C2_2 B7_2 112.35(14) . . ?
B8_2 C2_2 B7_2 62.43(12) . . ?
C2_3 C2_2 B3_2 115.22(15) . . ?
C1_2 C2_2 B3_2 62.65(11) . . ?
B8_2 C2_2 B3_2 61.86(12) . . ?
B7_2 C2_2 B3_2 113.00(15) . . ?
C2_3 C2_2 B6_2 116.22(15) . . ?
C1_2 C2_2 B6_2 61.33(11) . . ?
B8_2 C2_2 B6_2 112.53(15) . . ?
B7_2 C2_2 B6_2 61.43(12) . . ?
B3_2 C2_2 B6_2 112.52(14) . . ?
C2_2 B3_2 B9_2 106.17(15) . . ?
C2_2 B3_2 B4_2 105.16(14) . . ?
B9_2 B3_2 B4_2 61.86(13) . . ?
C2_2 B3_2 C1_2 56.94(10) . . ?
B9_2 B3_2 C1_2 107.84(15) . . ?
B4_2 B3_2 C1_2 59.52(11) . . ?
C2_2 B3_2 B8_2 58.69(11) . . ?
B9_2 B3_2 B8_2 61.23(13) . . ?
B4_2 B3_2 B8_2 110.29(16) . . ?
C1_2 B3_2 B8_2 106.00(14) . . ?
C2_2 B3_2 H3_2 124.9 . . ?
B9_2 B3_2 H3_2 120.9 . . ?
B4_2 B3_2 H3_2 120.9 . . ?
C1_2 B3_2 H3_2 123.5 . . ?
B8_2 B3_2 H3_2 121.1 . . ?
C1_2 B4_2 B3_2 60.64(12) . . ?
C1_2 B4_2 B5_2 59.26(12) . . ?
B3_2 B4_2 B5_2 108.69(15) . . ?
C1_2 B4_2 B10_2 106.14(15) . . ?
B3_2 B4_2 B10_2 106.73(15) . . ?
B5_2 B4_2 B10_2 60.17(13) . . ?
C1_2 B4_2 B9_2 106.42(15) . . ?
B3_2 B4_2 B9_2 58.92(12) . . ?
B5_2 B4_2 B9_2 107.77(16) . . ?
B10_2 B4_2 B9_2 59.26(12) . . ?
C1_2 B4_2 H4_2 122.7 . . ?
B3_2 B4_2 H4_2 121.6 . . ?
B5_2 B4_2 H4_2 121.3 . . ?
B10_2 B4_2 H4_2 122.8 . . ?
B9_2 B4_2 H4_2 122.7 . . ?
C1_2 B5_2 B6_2 59.95(12) . . ?
C1_2 B5_2 B4_2 60.03(12) . . ?
B6_2 B5_2 B4_2 108.96(15) . . ?
C1_2 B5_2 B10_2 107.20(15) . . ?
B6_2 B5_2 B10_2 107.20(15) . . ?
B4_2 B5_2 B10_2 60.77(13) . . ?
C1_2 B5_2 B11_2 106.05(14) . . ?
B6_2 B5_2 B11_2 58.72(12) . . ?
B4_2 B5_2 B11_2 108.39(16) . . ?
B10_2 B5_2 B11_2 59.64(13) . . ?
C1_2 B5_2 H5_2 122.6 . . ?
B6_2 B5_2 H5_2 121.9 . . ?
B4_2 B5_2 H5_2 120.6 . . ?
B10_2 B5_2 H5_2 122.0 . . ?
B11_2 B5_2 H5_2 122.8 . . ?
B11_2 B6_2 C1_2 108.13(16) . . ?
B11_2 B6_2 C2_2 105.67(15) . . ?
C1_2 B6_2 C2_2 57.12(11) . . ?
B11_2 B6_2 B5_2 61.85(13) . . ?
C1_2 B6_2 B5_2 59.47(12) . . ?
C2_2 B6_2 B5_2 104.67(15) . . ?
B11_2 B6_2 B7_2 61.04(13) . . ?
C1_2 B6_2 B7_2 106.57(14) . . ?
C2_2 B6_2 B7_2 58.66(11) . . ?
B5_2 B6_2 B7_2 110.13(16) . . ?
B11_2 B6_2 H6_2 121.0 . . ?
C1_2 B6_2 H6_2 123.0 . . ?
C2_2 B6_2 H6_2 125.2 . . ?
B5_2 B6_2 H6_2 121.2 . . ?
B7_2 B6_2 H6_2 121.0 . . ?
C2_2 B7_2 B6_2 59.91(12) . . ?
C2_2 B7_2 B12_2 104.70(15) . . ?
B6_2 B7_2 B12_2 106.65(15) . . ?
C2_2 B7_2 B8_2 58.60(11) . . ?
B6_2 B7_2 B8_2 108.20(15) . . ?
B12_2 B7_2 B8_2 59.97(12) . . ?
C2_2 B7_2 B11_2 104.76(15) . . ?
B6_2 B7_2 B11_2 58.61(12) . . ?
B12_2 B7_2 B11_2 59.55(12) . . ?
B8_2 B7_2 B11_2 107.52(15) . . ?
C2_2 B7_2 H7_2 124.1 . . ?
B6_2 B7_2 H7_2 121.8 . . ?
B12_2 B7_2 H7_2 122.9 . . ?
B8_2 B7_2 H7_2 121.4 . . ?
B11_2 B7_2 H7_2 123.0 . . ?
C2_2 B8_2 B3_2 59.45(12) . . ?
C2_2 B8_2 B12_2 105.01(15) . . ?
B3_2 B8_2 B12_2 106.98(15) . . ?
C2_2 B8_2 B7_2 58.97(12) . . ?
B3_2 B8_2 B7_2 108.24(15) . . ?
B12_2 B8_2 B7_2 60.00(13) . . ?
C2_2 B8_2 B9_2 104.81(14) . . ?
B3_2 B8_2 B9_2 58.73(12) . . ?
B12_2 B8_2 B9_2 60.02(13) . . ?
B7_2 B8_2 B9_2 108.05(15) . . ?
C2_2 B8_2 H8_2 124.2 . . ?
B3_2 B8_2 H8_2 121.9 . . ?
B12_2 B8_2 H8_2 122.6 . . ?
B7_2 B8_2 H8_2 121.2 . . ?
B9_2 B8_2 H8_2 122.7 . . ?
B3_2 B9_2 B10_2 107.65(16) . . ?
B3_2 B9_2 B12_2 107.75(16) . . ?
B10_2 B9_2 B12_2 60.34(13) . . ?
B3_2 B9_2 B8_2 60.04(12) . . ?
B10_2 B9_2 B8_2 107.90(16) . . ?
B12_2 B9_2 B8_2 59.68(13) . . ?
B3_2 B9_2 B4_2 59.22(12) . . ?
B10_2 B9_2 B4_2 60.10(13) . . ?
B12_2 B9_2 B4_2 107.93(15) . . ?
B8_2 B9_2 B4_2 107.26(15) . . ?
B3_2 B9_2 H9_2 122.1 . . ?
B10_2 B9_2 H9_2 121.6 . . ?
B12_2 B9_2 H9_2 121.7 . . ?
B8_2 B9_2 H9_2 122.0 . . ?
B4_2 B9_2 H9_2 122.1 . . ?
B9_2 B10_2 B11_2 108.04(15) . . ?
B9_2 B10_2 B5_2 107.98(16) . . ?
B11_2 B10_2 B5_2 60.63(13) . . ?
B9_2 B10_2 B4_2 60.64(13) . . ?
B11_2 B10_2 B4_2 107.81(16) . . ?
B5_2 B10_2 B4_2 59.05(13) . . ?
B9_2 B10_2 B12_2 60.19(13) . . ?
B11_2 B10_2 B12_2 59.51(13) . . ?
B5_2 B10_2 B12_2 107.96(16) . . ?
B4_2 B10_2 B12_2 108.24(15) . . ?
B9_2 B10_2 H10_2 121.4 . . ?
B11_2 B10_2 H10_2 121.7 . . ?
B5_2 B10_2 H10_2 121.9 . . ?
B4_2 B10_2 H10_2 121.8 . . ?
B12_2 B10_2 H10_2 121.8 . . ?
B6_2 B11_2 B12_2 108.54(15) . . ?
B6_2 B11_2 B10_2 107.84(16) . . ?
B12_2 B11_2 B10_2 60.60(13) . . ?
B6_2 B11_2 B7_2 60.36(12) . . ?
B12_2 B11_2 B7_2 60.17(12) . . ?
B10_2 B11_2 B7_2 108.48(15) . . ?
B6_2 B11_2 B5_2 59.42(12) . . ?
B12_2 B11_2 B5_2 108.11(16) . . ?
B10_2 B11_2 B5_2 59.73(13) . . ?
B7_2 B11_2 B5_2 107.69(15) . . ?
B6_2 B11_2 H11_2 121.7 . . ?
B12_2 B11_2 H11_2 121.2 . . ?
B10_2 B11_2 H11_2 121.5 . . ?
B7_2 B11_2 H11_2 121.5 . . ?
B5_2 B11_2 H11_2 122.2 . . ?
B11_2 B12_2 B8_2 108.15(16) . . ?
B11_2 B12_2 B7_2 60.28(12) . . ?
B8_2 B12_2 B7_2 60.03(12) . . ?
B11_2 B12_2 B9_2 107.78(16) . . ?
B8_2 B12_2 B9_2 60.30(13) . . ?
B7_2 B12_2 B9_2 108.29(16) . . ?
B11_2 B12_2 B10_2 59.89(13) . . ?
B8_2 B12_2 B10_2 107.71(16) . . ?
B7_2 B12_2 B10_2 108.01(16) . . ?
B9_2 B12_2 B10_2 59.48(13) . . ?
B11_2 B12_2 H12_2 121.7 . . ?
B8_2 B12_2 H12_2 121.6 . . ?
B7_2 B12_2 H12_2 121.5 . . ?
B9_2 B12_2 H12_2 121.8 . . ?
B10_2 B12_2 H12_2 122.1 . . ?
C2_3 C1_3 B1_1 109.31(15) . . ?
C2_3 C1_3 B6_3 62.10(11) . . ?
B1_1 C1_3 B6_3 114.87(15) . . ?
C2_3 C1_3 B5_3 109.92(14) . . ?
B1_1 C1_3 B5_3 129.18(16) . . ?
B6_3 C1_3 B5_3 60.58(12) . . ?
C2_3 C1_3 B4_3 109.33(14) . . ?
B1_1 C1_3 B4_3 130.08(15) . . ?
B6_3 C1_3 B4_3 110.59(15) . . ?
B5_3 C1_3 B4_3 61.00(13) . . ?
C2_3 C1_3 B3_3 61.23(12) . . ?
B1_1 C1_3 B3_3 116.29(15) . . ?
B6_3 C1_3 B3_3 112.32(14) . . ?
B5_3 C1_3 B3_3 110.37(15) . . ?
B4_3 C1_3 B3_3 60.33(13) . . ?
C2_2 C2_3 C1_3 109.51(14) . . ?
C2_2 C2_3 B7_3 126.24(16) . . ?
C1_3 C2_3 B7_3 112.16(15) . . ?
C2_2 C2_3 B8_3 126.30(16) . . ?
C1_3 C2_3 B8_3 112.91(15) . . ?
B7_3 C2_3 B8_3 62.64(12) . . ?
C2_2 C2_3 B3_3 115.59(15) . . ?
C1_3 C2_3 B3_3 62.22(12) . . ?
B7_3 C2_3 B3_3 113.18(15) . . ?
B8_3 C2_3 B3_3 61.96(12) . . ?
C2_2 C2_3 B6_3 115.73(15) . . ?
C1_3 C2_3 B6_3 61.03(11) . . ?
B7_3 C2_3 B6_3 61.75(12) . . ?
B8_3 C2_3 B6_3 112.92(15) . . ?
B3_3 C2_3 B6_3 112.26(15) . . ?
C2_3 B3_3 B9_3 105.91(15) . . ?
C2_3 B3_3 C1_3 56.55(11) . . ?
B9_3 B3_3 C1_3 107.46(16) . . ?
C2_3 B3_3 B4_3 104.87(16) . . ?
B9_3 B3_3 B4_3 61.86(13) . . ?
C1_3 B3_3 B4_3 59.42(12) . . ?
C2_3 B3_3 B8_3 58.69(11) . . ?
B9_3 B3_3 B8_3 61.15(13) . . ?
C1_3 B3_3 B8_3 105.60(14) . . ?
B4_3 B3_3 B8_3 110.22(16) . . ?
C2_3 B3_3 H3_3 125.1 . . ?
B9_3 B3_3 H3_3 121.0 . . ?
C1_3 B3_3 H3_3 123.8 . . ?
B4_3 B3_3 H3_3 121.0 . . ?
B8_3 B3_3 H3_3 121.2 . . ?
C1_3 B4_3 B3_3 60.25(12) . . ?
C1_3 B4_3 B5_3 59.33(12) . . ?
B3_3 B4_3 B5_3 108.95(16) . . ?
C1_3 B4_3 B10_3 106.14(16) . . ?
B3_3 B4_3 B10_3 107.11(16) . . ?
B5_3 B4_3 B10_3 60.53(13) . . ?
C1_3 B4_3 B9_3 105.83(16) . . ?
B3_3 B4_3 B9_3 58.92(13) . . ?
B5_3 B4_3 B9_3 108.11(16) . . ?
B10_3 B4_3 B9_3 59.42(13) . . ?
C1_3 B4_3 H4_3 123.2 . . ?
B3_3 B4_3 H4_3 121.6 . . ?
B5_3 B4_3 H4_3 120.9 . . ?
B10_3 B4_3 H4_3 122.5 . . ?
B9_3 B4_3 H4_3 122.8 . . ?
C1_3 B5_3 B6_3 59.57(12) . . ?
C1_3 B5_3 B4_3 59.68(13) . . ?
B6_3 B5_3 B4_3 108.71(16) . . ?
C1_3 B5_3 B10_3 106.31(16) . . ?
B6_3 B5_3 B10_3 107.35(16) . . ?
B4_3 B5_3 B10_3 60.40(13) . . ?
C1_3 B5_3 B11_3 105.75(16) . . ?
B6_3 B5_3 B11_3 59.16(13) . . ?
B4_3 B5_3 B11_3 108.32(16) . . ?
B10_3 B5_3 B11_3 59.75(13) . . ?
C1_3 B5_3 H5_3 123.3 . . ?
B6_3 B5_3 H5_3 121.8 . . ?
B4_3 B5_3 H5_3 120.9 . . ?
B10_3 B5_3 H5_3 122.2 . . ?
B11_3 B5_3 H5_3 122.5 . . ?
C1_3 B6_3 B5_3 59.85(12) . . ?
C1_3 B6_3 C2_3 56.87(11) . . ?
B5_3 B6_3 C2_3 105.21(15) . . ?
C1_3 B6_3 B11_3 108.15(16) . . ?
B5_3 B6_3 B11_3 61.97(13) . . ?
C2_3 B6_3 B11_3 105.91(15) . . ?
C1_3 B6_3 B7_3 106.03(15) . . ?
B5_3 B6_3 B7_3 110.42(16) . . ?
C2_3 B6_3 B7_3 58.49(11) . . ?
B11_3 B6_3 B7_3 61.19(13) . . ?
C1_3 B6_3 H6_3 123.3 . . ?
B5_3 B6_3 H6_3 120.7 . . ?
C2_3 B6_3 H6_3 125.1 . . ?
B11_3 B6_3 H6_3 120.8 . . ?
B7_3 B6_3 H6_3 121.2 . . ?
C2_3 B7_3 B6_3 59.76(11) . . ?
C2_3 B7_3 B12_3 104.53(15) . . ?
B6_3 B7_3 B12_3 106.27(16) . . ?
C2_3 B7_3 B8_3 58.77(11) . . ?
B6_3 B7_3 B8_3 108.18(15) . . ?
B12_3 B7_3 B8_3 59.91(13) . . ?
C2_3 B7_3 B11_3 104.89(15) . . ?
B6_3 B7_3 B11_3 58.60(12) . . ?
B12_3 B7_3 B11_3 59.53(13) . . ?
B8_3 B7_3 B11_3 107.80(16) . . ?
C2_3 B7_3 H7_3 124.1 . . ?
B6_3 B7_3 H7_3 122.0 . . ?
B12_3 B7_3 H7_3 123.2 . . ?
B8_3 B7_3 H7_3 121.3 . . ?
B11_3 B7_3 H7_3 122.9 . . ?
C2_3 B8_3 B3_3 59.35(11) . . ?
C2_3 B8_3 B12_3 104.48(15) . . ?
B3_3 B8_3 B12_3 106.41(16) . . ?
C2_3 B8_3 B7_3 58.60(11) . . ?
B3_3 B8_3 B7_3 107.78(15) . . ?
B12_3 B8_3 B7_3 60.02(13) . . ?
C2_3 B8_3 B9_3 104.38(15) . . ?
B3_3 B8_3 B9_3 58.52(13) . . ?
B12_3 B8_3 B9_3 59.70(13) . . ?
B7_3 B8_3 B9_3 107.69(16) . . ?
C2_3 B8_3 H8_3 124.5 . . ?
B3_3 B8_3 H8_3 122.2 . . ?
B12_3 B8_3 H8_3 122.9 . . ?
B7_3 B8_3 H8_3 121.4 . . ?
B9_3 B8_3 H8_3 123.0 . . ?
B3_3 B9_3 B10_3 107.72(16) . . ?
B3_3 B9_3 B12_3 108.03(16) . . ?
B10_3 B9_3 B12_3 60.35(13) . . ?
B3_3 B9_3 B8_3 60.33(13) . . ?
B10_3 B9_3 B8_3 108.32(16) . . ?
B12_3 B9_3 B8_3 59.93(13) . . ?
B3_3 B9_3 B4_3 59.22(13) . . ?
B10_3 B9_3 B4_3 59.87(13) . . ?
B12_3 B9_3 B4_3 107.71(16) . . ?
B8_3 B9_3 B4_3 107.51(16) . . ?
B3_3 B9_3 H9_3 121.9 . . ?
B10_3 B9_3 H9_3 121.5 . . ?
B12_3 B9_3 H9_3 121.6 . . ?
B8_3 B9_3 H9_3 121.6 . . ?
B4_3 B9_3 H9_3 122.3 . . ?
B9_3 B10_3 B4_3 60.71(13) . . ?
B9_3 B10_3 B11_3 108.16(17) . . ?
B4_3 B10_3 B11_3 107.79(16) . . ?
B9_3 B10_3 B5_3 107.96(16) . . ?
B4_3 B10_3 B5_3 59.06(13) . . ?
B11_3 B10_3 B5_3 60.43(13) . . ?
B9_3 B10_3 B12_3 60.02(13) . . ?
B4_3 B10_3 B12_3 108.11(16) . . ?
B11_3 B10_3 B12_3 59.71(13) . . ?
B5_3 B10_3 B12_3 107.79(16) . . ?
B9_3 B10_3 H10_3 121.4 . . ?
B4_3 B10_3 H10_3 121.8 . . ?
B11_3 B10_3 H10_3 121.7 . . ?
B5_3 B10_3 H10_3 122.0 . . ?
B12_3 B10_3 H10_3 121.8 . . ?
B6_3 B11_3 B12_3 107.97(16) . . ?
B6_3 B11_3 B10_3 107.17(16) . . ?
B12_3 B11_3 B10_3 60.24(13) . . ?
B6_3 B11_3 B7_3 60.20(12) . . ?
B12_3 B11_3 B7_3 60.07(13) . . ?
B10_3 B11_3 B7_3 108.02(16) . . ?
B6_3 B11_3 B5_3 58.87(12) . . ?
B12_3 B11_3 B5_3 107.73(16) . . ?
B10_3 B11_3 B5_3 59.82(13) . . ?
B7_3 B11_3 B5_3 107.20(15) . . ?
B6_3 B11_3 H11_3 122.2 . . ?
B12_3 B11_3 H11_3 121.5 . . ?
B10_3 B11_3 H11_3 121.8 . . ?
B7_3 B11_3 H11_3 121.7 . . ?
B5_3 B11_3 H11_3 122.5 . . ?
B11_3 B12_3 B9_3 108.13(15) . . ?
B11_3 B12_3 B8_3 108.63(15) . . ?
B9_3 B12_3 B8_3 60.37(13) . . ?
B11_3 B12_3 B10_3 60.05(13) . . ?
B9_3 B12_3 B10_3 59.63(13) . . ?
B8_3 B12_3 B10_3 108.10(15) . . ?
B11_3 B12_3 B7_3 60.40(13) . . ?
B9_3 B12_3 B7_3 108.26(15) . . ?
B8_3 B12_3 B7_3 60.07(12) . . ?
B10_3 B12_3 B7_3 108.13(15) . . ?
B11_3 B12_3 H12_3 121.4 . . ?
B9_3 B12_3 H12_3 121.7 . . ?
B8_3 B12_3 H12_3 121.4 . . ?
B10_3 B12_3 H12_3 121.9 . . ?
B7_3 B12_3 H12_3 121.5 . . ?
C2_11 C1_11 H1A_11 109.5 . . ?
C2_11 C1_11 H1B_11 109.5 . . ?
H1A_11 C1_11 H1B_11 109.5 . . ?
C2_11 C1_11 H1C_11 109.5 . . ?
H1A_11 C1_11 H1C_11 109.5 . . ?
H1B_11 C1_11 H1C_11 109.5 . . ?
C3_11 C2_11 C7_11 117.9 . . ?
C3_11 C2_11 C1_11 121.1 . . ?
C7_11 C2_11 C1_11 121.0 . . ?
C4_11 C3_11 C2_11 121.6 . . ?
C4_11 C3_11 H3_11 119.2 . . ?
C2_11 C3_11 H3_11 119.2 . . ?
C3_11 C4_11 C5_11 119.6 . . ?
C3_11 C4_11 H4_11 120.2 . . ?
C5_11 C4_11 H4_11 120.2 . . ?
C6_11 C5_11 C4_11 119.7 . . ?
C6_11 C5_11 H5_11 120.1 . . ?
C4_11 C5_11 H5_11 120.1 . . ?
C7_11 C6_11 C5_11 120.4 . . ?
C7_11 C6_11 H6_11 119.8 . . ?
C5_11 C6_11 H6_11 119.8 . . ?
C6_11 C7_11 C2_11 120.8 . . ?
C6_11 C7_11 H7_11 119.6 . . ?
C2_11 C7_11 H7_11 119.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C13_1 B1_1 C2_1 N6_1 -17.93(19) . . . . ?
C1_3 B1_1 C2_1 N6_1 98.46(18) . . . . ?
C1_2 B1_1 C2_1 N6_1 -139.97(17) . . . . ?
C13_1 B1_1 C2_1 N3_1 173.6(2) . . . . ?
C1_3 B1_1 C2_1 N3_1 -70.0(3) . . . . ?
C1_2 B1_1 C2_1 N3_1 51.6(3) . . . . ?
N6_1 C2_1 N3_1 C4_1 -1.2(2) . . . . ?
B1_1 C2_1 N3_1 C4_1 167.6(2) . . . . ?
N6_1 C2_1 N3_1 C7_1 174.24(16) . . . . ?
B1_1 C2_1 N3_1 C7_1 -17.0(4) . . . . ?
C2_1 N3_1 C4_1 C5_1 0.1(2) . . . . ?
C7_1 N3_1 C4_1 C5_1 -175.12(18) . . . . ?
C2_1 N3_1 C4_1 C10_1 -175.87(18) . . . . ?
C7_1 N3_1 C4_1 C10_1 8.9(3) . . . . ?
N3_1 C4_1 C5_1 N6_1 1.0(2) . . . . ?
C10_1 C4_1 C5_1 N6_1 176.80(19) . . . . ?
N3_1 C4_1 C5_1 C11_1 -175.4(2) . . . . ?
C10_1 C4_1 C5_1 C11_1 0.4(4) . . . . ?
N3_1 C2_1 N6_1 C5_1 1.8(2) . . . . ?
B1_1 C2_1 N6_1 C5_1 -171.02(15) . . . . ?
N3_1 C2_1 N6_1 C12_1 178.26(15) . . . . ?
B1_1 C2_1 N6_1 C12_1 5.4(2) . . . . ?
C4_1 C5_1 N6_1 C2_1 -1.8(2) . . . . ?
C11_1 C5_1 N6_1 C2_1 174.93(18) . . . . ?
C4_1 C5_1 N6_1 C12_1 -177.44(18) . . . . ?
C11_1 C5_1 N6_1 C12_1 -0.7(3) . . . . ?
C2_1 N3_1 C7_1 C9_1 123.6(2) . . . . ?
C4_1 N3_1 C7_1 C9_1 -61.8(2) . . . . ?
C2_1 N3_1 C7_1 C8_1 -108.5(2) . . . . ?
C4_1 N3_1 C7_1 C8_1 66.1(3) . . . . ?
C2_1 N6_1 C12_1 C14_1 133.77(18) . . . . ?
C5_1 N6_1 C12_1 C14_1 -50.7(3) . . . . ?
C2_1 N6_1 C12_1 C13_1 11.0(2) . . . . ?
C5_1 N6_1 C12_1 C13_1 -173.46(19) . . . . ?
N6_1 C12_1 C13_1 B1_1 -22.66(19) . . . . ?
C14_1 C12_1 C13_1 B1_1 -144.48(17) . . . . ?
C2_1 B1_1 C13_1 C12_1 24.31(19) . . . . ?
C1_3 B1_1 C13_1 C12_1 -92.06(19) . . . . ?
C1_2 B1_1 C13_1 C12_1 152.72(16) . . . . ?
C2_1 B1_1 C1_2 C2_2 -133.67(16) . . . . ?
C13_1 B1_1 C1_2 C2_2 112.42(16) . . . . ?
C1_3 B1_1 C1_2 C2_2 -8.00(18) . . . . ?
C2_1 B1_1 C1_2 B5_2 94.7(2) . . . . ?
C13_1 B1_1 C1_2 B5_2 -19.2(2) . . . . ?
C1_3 B1_1 C1_2 B5_2 -139.58(17) . . . . ?
C2_1 B1_1 C1_2 B6_2 161.10(15) . . . . ?
C13_1 B1_1 C1_2 B6_2 47.19(19) . . . . ?
C1_3 B1_1 C1_2 B6_2 -73.22(16) . . . . ?
C2_1 B1_1 C1_2 B4_2 11.7(3) . . . . ?
C13_1 B1_1 C1_2 B4_2 -102.2(2) . . . . ?
C1_3 B1_1 C1_2 B4_2 137.41(19) . . . . ?
C2_1 B1_1 C1_2 B3_2 -67.5(2) . . . . ?
C13_1 B1_1 C1_2 B3_2 178.62(15) . . . . ?
C1_3 B1_1 C1_2 B3_2 58.2(2) . . . . ?
B1_1 C1_2 C2_2 C2_3 9.00(19) . . . . ?
B5_2 C1_2 C2_2 C2_3 149.02(15) . . . . ?
B6_2 C1_2 C2_2 C2_3 110.09(16) . . . . ?
B4_2 C1_2 C2_2 C2_3 -146.54(15) . . . . ?
B3_2 C1_2 C2_2 C2_3 -109.17(16) . . . . ?
B1_1 C1_2 C2_2 B8_2 155.01(15) . . . . ?
B5_2 C1_2 C2_2 B8_2 -64.97(18) . . . . ?
B6_2 C1_2 C2_2 B8_2 -103.90(16) . . . . ?
B4_2 C1_2 C2_2 B8_2 -0.53(19) . . . . ?
B3_2 C1_2 C2_2 B8_2 36.84(15) . . . . ?
B1_1 C1_2 C2_2 B7_2 -136.58(15) . . . . ?
B5_2 C1_2 C2_2 B7_2 3.4(2) . . . . ?
B6_2 C1_2 C2_2 B7_2 -35.50(15) . . . . ?
B4_2 C1_2 C2_2 B7_2 67.88(18) . . . . ?
B3_2 C1_2 C2_2 B7_2 105.25(17) . . . . ?
B1_1 C1_2 C2_2 B3_2 118.17(16) . . . . ?
B5_2 C1_2 C2_2 B3_2 -101.80(16) . . . . ?
B6_2 C1_2 C2_2 B3_2 -140.74(16) . . . . ?
B4_2 C1_2 C2_2 B3_2 -37.37(14) . . . . ?
B1_1 C1_2 C2_2 B6_2 -101.09(16) . . . . ?
B5_2 C1_2 C2_2 B6_2 38.94(14) . . . . ?
B4_2 C1_2 C2_2 B6_2 103.38(16) . . . . ?
B3_2 C1_2 C2_2 B6_2 140.74(16) . . . . ?
C2_3 C2_2 B3_2 B9_2 -159.49(15) . . . . ?
C1_2 C2_2 B3_2 B9_2 101.06(15) . . . . ?
B8_2 C2_2 B3_2 B9_2 -40.28(14) . . . . ?
B7_2 C2_2 B3_2 B9_2 -3.16(19) . . . . ?
B6_2 C2_2 B3_2 B9_2 64.11(18) . . . . ?
C2_3 C2_2 B3_2 B4_2 135.98(16) . . . . ?
C1_2 C2_2 B3_2 B4_2 36.54(14) . . . . ?
B8_2 C2_2 B3_2 B4_2 -104.81(16) . . . . ?
B7_2 C2_2 B3_2 B4_2 -67.68(18) . . . . ?
B6_2 C2_2 B3_2 B4_2 -0.4(2) . . . . ?
C2_3 C2_2 B3_2 C1_2 99.45(17) . . . . ?
B8_2 C2_2 B3_2 C1_2 -141.34(15) . . . . ?
B7_2 C2_2 B3_2 C1_2 -104.22(16) . . . . ?
B6_2 C2_2 B3_2 C1_2 -36.95(14) . . . . ?
C2_3 C2_2 B3_2 B8_2 -119.21(17) . . . . ?
C1_2 C2_2 B3_2 B8_2 141.34(15) . . . . ?
B7_2 C2_2 B3_2 B8_2 37.13(14) . . . . ?
B6_2 C2_2 B3_2 B8_2 104.40(16) . . . . ?
B1_1 C1_2 B3_2 C2_2 -93.75(17) . . . . ?
B5_2 C1_2 B3_2 C2_2 101.47(15) . . . . ?
B6_2 C1_2 B3_2 C2_2 36.55(14) . . . . ?
B4_2 C1_2 B3_2 C2_2 138.18(16) . . . . ?
C2_2 C1_2 B3_2 B9_2 -98.02(16) . . . . ?
B1_1 C1_2 B3_2 B9_2 168.23(16) . . . . ?
B5_2 C1_2 B3_2 B9_2 3.45(19) . . . . ?
B6_2 C1_2 B3_2 B9_2 -61.47(18) . . . . ?
B4_2 C1_2 B3_2 B9_2 40.16(14) . . . . ?
C2_2 C1_2 B3_2 B4_2 -138.18(16) . . . . ?
B1_1 C1_2 B3_2 B4_2 128.07(18) . . . . ?
B5_2 C1_2 B3_2 B4_2 -36.71(14) . . . . ?
B6_2 C1_2 B3_2 B4_2 -101.63(16) . . . . ?
C2_2 C1_2 B3_2 B8_2 -33.72(14) . . . . ?
B1_1 C1_2 B3_2 B8_2 -127.47(17) . . . . ?
B5_2 C1_2 B3_2 B8_2 67.75(17) . . . . ?
B6_2 C1_2 B3_2 B8_2 2.8(2) . . . . ?
B4_2 C1_2 B3_2 B8_2 104.46(17) . . . . ?
C2_2 C1_2 B4_2 B3_2 37.61(14) . . . . ?
B1_1 C1_2 B4_2 B3_2 -107.9(2) . . . . ?
B5_2 C1_2 B4_2 B3_2 139.67(16) . . . . ?
B6_2 C1_2 B4_2 B3_2 103.15(15) . . . . ?
C2_2 C1_2 B4_2 B5_2 -102.05(15) . . . . ?
B1_1 C1_2 B4_2 B5_2 112.5(2) . . . . ?
B6_2 C1_2 B4_2 B5_2 -36.51(14) . . . . ?
B3_2 C1_2 B4_2 B5_2 -139.67(16) . . . . ?
C2_2 C1_2 B4_2 B10_2 -62.82(17) . . . . ?
B1_1 C1_2 B4_2 B10_2 151.70(19) . . . . ?
B5_2 C1_2 B4_2 B10_2 39.24(14) . . . . ?
B6_2 C1_2 B4_2 B10_2 2.72(18) . . . . ?
B3_2 C1_2 B4_2 B10_2 -100.43(16) . . . . ?
C2_2 C1_2 B4_2 B9_2 -0.82(19) . . . . ?
B1_1 C1_2 B4_2 B9_2 -146.30(19) . . . . ?
B5_2 C1_2 B4_2 B9_2 101.24(16) . . . . ?
B6_2 C1_2 B4_2 B9_2 64.72(18) . . . . ?
B3_2 C1_2 B4_2 B9_2 -38.43(14) . . . . ?
C2_2 B3_2 B4_2 C1_2 -35.38(13) . . . . ?
B9_2 B3_2 B4_2 C1_2 -135.88(16) . . . . ?
B8_2 B3_2 B4_2 C1_2 -97.09(16) . . . . ?
C2_2 B3_2 B4_2 B5_2 0.6(2) . . . . ?
B9_2 B3_2 B4_2 B5_2 -99.92(17) . . . . ?
C1_2 B3_2 B4_2 B5_2 35.96(14) . . . . ?
B8_2 B3_2 B4_2 B5_2 -61.1(2) . . . . ?
C2_2 B3_2 B4_2 B10_2 64.06(18) . . . . ?
B9_2 B3_2 B4_2 B10_2 -36.44(15) . . . . ?
C1_2 B3_2 B4_2 B10_2 99.44(16) . . . . ?
B8_2 B3_2 B4_2 B10_2 2.3(2) . . . . ?
C2_2 B3_2 B4_2 B9_2 100.50(16) . . . . ?
C1_2 B3_2 B4_2 B9_2 135.88(16) . . . . ?
B8_2 B3_2 B4_2 B9_2 38.79(15) . . . . ?
C2_2 C1_2 B5_2 B6_2 -39.38(14) . . . . ?
B1_1 C1_2 B5_2 B6_2 92.00(19) . . . . ?
B4_2 C1_2 B5_2 B6_2 -140.06(16) . . . . ?
B3_2 C1_2 B5_2 B6_2 -103.72(15) . . . . ?
C2_2 C1_2 B5_2 B4_2 100.69(16) . . . . ?
B1_1 C1_2 B5_2 B4_2 -127.93(19) . . . . ?
B6_2 C1_2 B5_2 B4_2 140.06(16) . . . . ?
B3_2 C1_2 B5_2 B4_2 36.35(14) . . . . ?
C2_2 C1_2 B5_2 B10_2 60.90(18) . . . . ?
B1_1 C1_2 B5_2 B10_2 -167.72(16) . . . . ?
B6_2 C1_2 B5_2 B10_2 100.28(16) . . . . ?
B4_2 C1_2 B5_2 B10_2 -39.78(15) . . . . ?
B3_2 C1_2 B5_2 B10_2 -3.44(19) . . . . ?
C2_2 C1_2 B5_2 B11_2 -1.61(19) . . . . ?
B1_1 C1_2 B5_2 B11_2 129.77(18) . . . . ?
B6_2 C1_2 B5_2 B11_2 37.76(14) . . . . ?
B4_2 C1_2 B5_2 B11_2 -102.30(17) . . . . ?
B3_2 C1_2 B5_2 B11_2 -65.95(18) . . . . ?
B3_2 B4_2 B5_2 C1_2 -36.55(14) . . . . ?
B10_2 B4_2 B5_2 C1_2 -135.54(15) . . . . ?
B9_2 B4_2 B5_2 C1_2 -98.90(16) . . . . ?
C1_2 B4_2 B5_2 B6_2 35.98(14) . . . . ?
B3_2 B4_2 B5_2 B6_2 -0.6(2) . . . . ?
B10_2 B4_2 B5_2 B6_2 -99.56(17) . . . . ?
B9_2 B4_2 B5_2 B6_2 -62.92(19) . . . . ?
C1_2 B4_2 B5_2 B10_2 135.54(15) . . . . ?
B3_2 B4_2 B5_2 B10_2 98.99(17) . . . . ?
B9_2 B4_2 B5_2 B10_2 36.64(14) . . . . ?
C1_2 B4_2 B5_2 B11_2 98.32(16) . . . . ?
B3_2 B4_2 B5_2 B11_2 61.77(19) . . . . ?
B10_2 B4_2 B5_2 B11_2 -37.22(14) . . . . ?
B9_2 B4_2 B5_2 B11_2 -0.6(2) . . . . ?
C2_2 C1_2 B6_2 B11_2 97.28(15) . . . . ?
B1_1 C1_2 B6_2 B11_2 -161.06(14) . . . . ?
B5_2 C1_2 B6_2 B11_2 -39.71(14) . . . . ?
B4_2 C1_2 B6_2 B11_2 -3.14(19) . . . . ?
B3_2 C1_2 B6_2 B11_2 61.19(18) . . . . ?
B1_1 C1_2 B6_2 C2_2 101.66(15) . . . . ?
B5_2 C1_2 B6_2 C2_2 -136.98(16) . . . . ?
B4_2 C1_2 B6_2 C2_2 -100.42(15) . . . . ?
B3_2 C1_2 B6_2 C2_2 -36.09(14) . . . . ?
C2_2 C1_2 B6_2 B5_2 136.98(16) . . . . ?
B1_1 C1_2 B6_2 B5_2 -121.36(16) . . . . ?
B4_2 C1_2 B6_2 B5_2 36.57(14) . . . . ?
B3_2 C1_2 B6_2 B5_2 100.90(16) . . . . ?
C2_2 C1_2 B6_2 B7_2 33.01(14) . . . . ?
B1_1 C1_2 B6_2 B7_2 134.67(15) . . . . ?
B5_2 C1_2 B6_2 B7_2 -103.97(17) . . . . ?
B4_2 C1_2 B6_2 B7_2 -67.40(18) . . . . ?
B3_2 C1_2 B6_2 B7_2 -3.1(2) . . . . ?
C2_3 C2_2 B6_2 B11_2 159.80(16) . . . . ?
C1_2 C2_2 B6_2 B11_2 -101.74(16) . . . . ?
B8_2 C2_2 B6_2 B11_2 3.36(19) . . . . ?
B7_2 C2_2 B6_2 B11_2 40.56(14) . . . . ?
B3_2 C2_2 B6_2 B11_2 -64.26(18) . . . . ?
C2_3 C2_2 B6_2 C1_2 -98.45(17) . . . . ?
B8_2 C2_2 B6_2 C1_2 105.10(16) . . . . ?
B7_2 C2_2 B6_2 C1_2 142.31(16) . . . . ?
B3_2 C2_2 B6_2 C1_2 37.48(15) . . . . ?
C2_3 C2_2 B6_2 B5_2 -135.86(17) . . . . ?
C1_2 C2_2 B6_2 B5_2 -37.40(14) . . . . ?
B8_2 C2_2 B6_2 B5_2 67.70(18) . . . . ?
B7_2 C2_2 B6_2 B5_2 104.90(17) . . . . ?
B3_2 C2_2 B6_2 B5_2 0.1(2) . . . . ?
C2_3 C2_2 B6_2 B7_2 119.24(18) . . . . ?
C1_2 C2_2 B6_2 B7_2 -142.31(16) . . . . ?
B8_2 C2_2 B6_2 B7_2 -37.20(15) . . . . ?
B3_2 C2_2 B6_2 B7_2 -104.82(17) . . . . ?
C1_2 B5_2 B6_2 B11_2 136.48(15) . . . . ?
B4_2 B5_2 B6_2 B11_2 100.46(17) . . . . ?
B10_2 B5_2 B6_2 B11_2 36.19(15) . . . . ?
B4_2 B5_2 B6_2 C1_2 -36.02(14) . . . . ?
B10_2 B5_2 B6_2 C1_2 -100.29(16) . . . . ?
B11_2 B5_2 B6_2 C1_2 -136.48(15) . . . . ?
C1_2 B5_2 B6_2 C2_2 36.31(13) . . . . ?
B4_2 B5_2 B6_2 C2_2 0.3(2) . . . . ?
B10_2 B5_2 B6_2 C2_2 -63.97(18) . . . . ?
B11_2 B5_2 B6_2 C2_2 -100.17(16) . . . . ?
C1_2 B5_2 B6_2 B7_2 97.84(16) . . . . ?
B4_2 B5_2 B6_2 B7_2 61.8(2) . . . . ?
B10_2 B5_2 B6_2 B7_2 -2.4(2) . . . . ?
B11_2 B5_2 B6_2 B7_2 -38.64(14) . . . . ?
C2_3 C2_2 B7_2 B6_2 -102.85(19) . . . . ?
C1_2 C2_2 B7_2 B6_2 35.46(15) . . . . ?
B8_2 C2_2 B7_2 B6_2 140.95(15) . . . . ?
B3_2 C2_2 B7_2 B6_2 104.04(16) . . . . ?
C2_3 C2_2 B7_2 B12_2 156.18(16) . . . . ?
C1_2 C2_2 B7_2 B12_2 -65.51(18) . . . . ?
B8_2 C2_2 B7_2 B12_2 39.98(14) . . . . ?
B3_2 C2_2 B7_2 B12_2 3.07(19) . . . . ?
B6_2 C2_2 B7_2 B12_2 -100.97(16) . . . . ?
C2_3 C2_2 B7_2 B8_2 116.21(19) . . . . ?
C1_2 C2_2 B7_2 B8_2 -105.49(16) . . . . ?
B3_2 C2_2 B7_2 B8_2 -36.90(14) . . . . ?
B6_2 C2_2 B7_2 B8_2 -140.95(15) . . . . ?
C2_3 C2_2 B7_2 B11_2 -142.03(17) . . . . ?
C1_2 C2_2 B7_2 B11_2 -3.72(19) . . . . ?
B8_2 C2_2 B7_2 B11_2 101.77(16) . . . . ?
B3_2 C2_2 B7_2 B11_2 64.87(18) . . . . ?
B6_2 C2_2 B7_2 B11_2 -39.18(14) . . . . ?
B11_2 B6_2 B7_2 C2_2 -134.30(16) . . . . ?
C1_2 B6_2 B7_2 C2_2 -32.39(13) . . . . ?
B5_2 B6_2 B7_2 C2_2 -95.31(16) . . . . ?
B11_2 B6_2 B7_2 B12_2 -36.67(14) . . . . ?
C1_2 B6_2 B7_2 B12_2 65.24(18) . . . . ?
C2_2 B6_2 B7_2 B12_2 97.63(16) . . . . ?
B5_2 B6_2 B7_2 B12_2 2.3(2) . . . . ?
B11_2 B6_2 B7_2 B8_2 -99.82(17) . . . . ?
C1_2 B6_2 B7_2 B8_2 2.1(2) . . . . ?
C2_2 B6_2 B7_2 B8_2 34.48(14) . . . . ?
B5_2 B6_2 B7_2 B8_2 -60.82(19) . . . . ?
C1_2 B6_2 B7_2 B11_2 101.91(16) . . . . ?
C2_2 B6_2 B7_2 B11_2 134.30(16) . . . . ?
B5_2 B6_2 B7_2 B11_2 39.00(15) . . . . ?
C2_3 C2_2 B8_2 B3_2 101.98(19) . . . . ?
C1_2 C2_2 B8_2 B3_2 -37.15(14) . . . . ?
B7_2 C2_2 B8_2 B3_2 -141.19(15) . . . . ?
B6_2 C2_2 B8_2 B3_2 -104.38(16) . . . . ?
C2_3 C2_2 B8_2 B12_2 -156.89(17) . . . . ?
C1_2 C2_2 B8_2 B12_2 63.97(18) . . . . ?
B7_2 C2_2 B8_2 B12_2 -40.06(14) . . . . ?
B3_2 C2_2 B8_2 B12_2 101.12(16) . . . . ?
B6_2 C2_2 B8_2 B12_2 -3.3(2) . . . . ?
C2_3 C2_2 B8_2 B7_2 -116.8(2) . . . . ?
C1_2 C2_2 B8_2 B7_2 104.04(16) . . . . ?
B3_2 C2_2 B8_2 B7_2 141.19(15) . . . . ?
B6_2 C2_2 B8_2 B7_2 36.80(14) . . . . ?
C2_3 C2_2 B8_2 B9_2 140.76(17) . . . . ?
C1_2 C2_2 B8_2 B9_2 1.6(2) . . . . ?
B7_2 C2_2 B8_2 B9_2 -102.41(16) . . . . ?
B3_2 C2_2 B8_2 B9_2 38.78(14) . . . . ?
B6_2 C2_2 B8_2 B9_2 -65.60(18) . . . . ?
B9_2 B3_2 B8_2 C2_2 134.89(15) . . . . ?
B4_2 B3_2 B8_2 C2_2 95.83(16) . . . . ?
C1_2 B3_2 B8_2 C2_2 33.00(13) . . . . ?
C2_2 B3_2 B8_2 B12_2 -97.71(16) . . . . ?
B9_2 B3_2 B8_2 B12_2 37.18(14) . . . . ?
B4_2 B3_2 B8_2 B12_2 -1.9(2) . . . . ?
C1_2 B3_2 B8_2 B12_2 -64.71(18) . . . . ?
C2_2 B3_2 B8_2 B7_2 -34.44(14) . . . . ?
B9_2 B3_2 B8_2 B7_2 100.45(16) . . . . ?
B4_2 B3_2 B8_2 B7_2 61.39(19) . . . . ?
C1_2 B3_2 B8_2 B7_2 -1.4(2) . . . . ?
C2_2 B3_2 B8_2 B9_2 -134.89(15) . . . . ?
B4_2 B3_2 B8_2 B9_2 -39.06(15) . . . . ?
C1_2 B3_2 B8_2 B9_2 -101.89(16) . . . . ?
B6_2 B7_2 B8_2 C2_2 -35.02(14) . . . . ?
B12_2 B7_2 B8_2 C2_2 -134.13(16) . . . . ?
B11_2 B7_2 B8_2 C2_2 -96.91(16) . . . . ?
C2_2 B7_2 B8_2 B3_2 34.63(14) . . . . ?
B6_2 B7_2 B8_2 B3_2 -0.4(2) . . . . ?
B12_2 B7_2 B8_2 B3_2 -99.49(17) . . . . ?
B11_2 B7_2 B8_2 B3_2 -62.27(19) . . . . ?
C2_2 B7_2 B8_2 B12_2 134.13(16) . . . . ?
B6_2 B7_2 B8_2 B12_2 99.10(17) . . . . ?
B11_2 B7_2 B8_2 B12_2 37.22(15) . . . . ?
C2_2 B7_2 B8_2 B9_2 96.77(16) . . . . ?
B6_2 B7_2 B8_2 B9_2 61.74(19) . . . . ?
B12_2 B7_2 B8_2 B9_2 -37.36(15) . . . . ?
B11_2 B7_2 B8_2 B9_2 -0.1(2) . . . . ?
C2_2 B3_2 B9_2 B10_2 -61.82(18) . . . . ?
B4_2 B3_2 B9_2 B10_2 37.02(15) . . . . ?
C1_2 B3_2 B9_2 B10_2 -2.0(2) . . . . ?
B8_2 B3_2 B9_2 B10_2 -100.89(17) . . . . ?
C2_2 B3_2 B9_2 B12_2 1.85(18) . . . . ?
B4_2 B3_2 B9_2 B12_2 100.70(16) . . . . ?
C1_2 B3_2 B9_2 B12_2 61.63(18) . . . . ?
B8_2 B3_2 B9_2 B12_2 -37.21(14) . . . . ?
C2_2 B3_2 B9_2 B8_2 39.06(13) . . . . ?
B4_2 B3_2 B9_2 B8_2 137.91(16) . . . . ?
C1_2 B3_2 B9_2 B8_2 98.84(15) . . . . ?
C2_2 B3_2 B9_2 B4_2 -98.85(15) . . . . ?
C1_2 B3_2 B9_2 B4_2 -39.07(14) . . . . ?
B8_2 B3_2 B9_2 B4_2 -137.91(16) . . . . ?
C2_2 B8_2 B9_2 B3_2 -39.13(13) . . . . ?
B12_2 B8_2 B9_2 B3_2 -138.15(16) . . . . ?
B7_2 B8_2 B9_2 B3_2 -100.80(16) . . . . ?
C2_2 B8_2 B9_2 B10_2 61.33(19) . . . . ?
B3_2 B8_2 B9_2 B10_2 100.46(17) . . . . ?
B12_2 B8_2 B9_2 B10_2 -37.68(15) . . . . ?
B7_2 B8_2 B9_2 B10_2 -0.3(2) . . . . ?
C2_2 B8_2 B9_2 B12_2 99.02(16) . . . . ?
B3_2 B8_2 B9_2 B12_2 138.15(16) . . . . ?
B7_2 B8_2 B9_2 B12_2 37.35(15) . . . . ?
C2_2 B8_2 B9_2 B4_2 -2.04(19) . . . . ?
B3_2 B8_2 B9_2 B4_2 37.09(14) . . . . ?
B12_2 B8_2 B9_2 B4_2 -101.06(17) . . . . ?
B7_2 B8_2 B9_2 B4_2 -63.71(19) . . . . ?
C1_2 B4_2 B9_2 B3_2 39.24(14) . . . . ?
B5_2 B4_2 B9_2 B3_2 101.52(16) . . . . ?
B10_2 B4_2 B9_2 B3_2 138.56(16) . . . . ?
C1_2 B4_2 B9_2 B10_2 -99.32(16) . . . . ?
B3_2 B4_2 B9_2 B10_2 -138.56(16) . . . . ?
B5_2 B4_2 B9_2 B10_2 -37.04(15) . . . . ?
C1_2 B4_2 B9_2 B12_2 -61.14(19) . . . . ?
B3_2 B4_2 B9_2 B12_2 -100.38(17) . . . . ?
B5_2 B4_2 B9_2 B12_2 1.1(2) . . . . ?
B10_2 B4_2 B9_2 B12_2 38.18(15) . . . . ?
C1_2 B4_2 B9_2 B8_2 1.8(2) . . . . ?
B3_2 B4_2 B9_2 B8_2 -37.45(14) . . . . ?
B5_2 B4_2 B9_2 B8_2 64.07(19) . . . . ?
B10_2 B4_2 B9_2 B8_2 101.10(17) . . . . ?
B3_2 B9_2 B10_2 B11_2 64.1(2) . . . . ?
B12_2 B9_2 B10_2 B11_2 -36.71(15) . . . . ?
B8_2 B9_2 B10_2 B11_2 0.7(2) . . . . ?
B4_2 B9_2 B10_2 B11_2 100.71(17) . . . . ?
B3_2 B9_2 B10_2 B5_2 0.0(2) . . . . ?
B12_2 B9_2 B10_2 B5_2 -100.82(17) . . . . ?
B8_2 B9_2 B10_2 B5_2 -63.4(2) . . . . ?
B4_2 B9_2 B10_2 B5_2 36.60(15) . . . . ?
B3_2 B9_2 B10_2 B4_2 -36.64(14) . . . . ?
B12_2 B9_2 B10_2 B4_2 -137.41(16) . . . . ?
B8_2 B9_2 B10_2 B4_2 -100.02(17) . . . . ?
B3_2 B9_2 B10_2 B12_2 100.78(17) . . . . ?
B8_2 B9_2 B10_2 B12_2 37.39(15) . . . . ?
B4_2 B9_2 B10_2 B12_2 137.41(16) . . . . ?
C1_2 B5_2 B10_2 B9_2 2.1(2) . . . . ?
B6_2 B5_2 B10_2 B9_2 65.22(19) . . . . ?
B4_2 B5_2 B10_2 B9_2 -37.29(15) . . . . ?
B11_2 B5_2 B10_2 B9_2 101.01(17) . . . . ?
C1_2 B5_2 B10_2 B11_2 -98.87(16) . . . . ?
B6_2 B5_2 B10_2 B11_2 -35.80(14) . . . . ?
B4_2 B5_2 B10_2 B11_2 -138.30(15) . . . . ?
C1_2 B5_2 B10_2 B4_2 39.43(14) . . . . ?
B6_2 B5_2 B10_2 B4_2 102.51(16) . . . . ?
B11_2 B5_2 B10_2 B4_2 138.30(15) . . . . ?
C1_2 B5_2 B10_2 B12_2 -61.48(19) . . . . ?
B6_2 B5_2 B10_2 B12_2 1.6(2) . . . . ?
B4_2 B5_2 B10_2 B12_2 -100.91(16) . . . . ?
B11_2 B5_2 B10_2 B12_2 37.39(14) . . . . ?
C1_2 B4_2 B10_2 B9_2 99.80(16) . . . . ?
B3_2 B4_2 B10_2 B9_2 36.29(14) . . . . ?
B5_2 B4_2 B10_2 B9_2 138.61(16) . . . . ?
C1_2 B4_2 B10_2 B11_2 -1.30(19) . . . . ?
B3_2 B4_2 B10_2 B11_2 -64.81(18) . . . . ?
B5_2 B4_2 B10_2 B11_2 37.51(14) . . . . ?
B9_2 B4_2 B10_2 B11_2 -101.10(16) . . . . ?
C1_2 B4_2 B10_2 B5_2 -38.81(13) . . . . ?
B3_2 B4_2 B10_2 B5_2 -102.32(16) . . . . ?
B9_2 B4_2 B10_2 B5_2 -138.61(16) . . . . ?
C1_2 B4_2 B10_2 B12_2 61.62(18) . . . . ?
B3_2 B4_2 B10_2 B12_2 -1.9(2) . . . . ?
B5_2 B4_2 B10_2 B12_2 100.43(17) . . . . ?
B9_2 B4_2 B10_2 B12_2 -38.18(15) . . . . ?
C1_2 B6_2 B11_2 B12_2 -61.91(18) . . . . ?
C2_2 B6_2 B11_2 B12_2 -2.01(19) . . . . ?
B5_2 B6_2 B11_2 B12_2 -100.53(17) . . . . ?
B7_2 B6_2 B11_2 B12_2 37.39(15) . . . . ?
C1_2 B6_2 B11_2 B10_2 2.24(19) . . . . ?
C2_2 B6_2 B11_2 B10_2 62.14(18) . . . . ?
B5_2 B6_2 B11_2 B10_2 -36.38(14) . . . . ?
B7_2 B6_2 B11_2 B10_2 101.54(16) . . . . ?
C1_2 B6_2 B11_2 B7_2 -99.31(15) . . . . ?
C2_2 B6_2 B11_2 B7_2 -39.40(13) . . . . ?
B5_2 B6_2 B11_2 B7_2 -137.92(16) . . . . ?
C1_2 B6_2 B11_2 B5_2 38.62(13) . . . . ?
C2_2 B6_2 B11_2 B5_2 98.52(15) . . . . ?
B7_2 B6_2 B11_2 B5_2 137.92(16) . . . . ?
B9_2 B10_2 B11_2 B6_2 -64.66(19) . . . . ?
B5_2 B10_2 B11_2 B6_2 36.25(14) . . . . ?
B4_2 B10_2 B11_2 B6_2 -0.6(2) . . . . ?
B12_2 B10_2 B11_2 B6_2 -101.66(16) . . . . ?
B9_2 B10_2 B11_2 B12_2 37.00(15) . . . . ?
B5_2 B10_2 B11_2 B12_2 137.91(16) . . . . ?
B4_2 B10_2 B11_2 B12_2 101.09(16) . . . . ?
B9_2 B10_2 B11_2 B7_2 -0.8(2) . . . . ?
B5_2 B10_2 B11_2 B7_2 100.13(17) . . . . ?
B4_2 B10_2 B11_2 B7_2 63.31(19) . . . . ?
B12_2 B10_2 B11_2 B7_2 -37.78(15) . . . . ?
B9_2 B10_2 B11_2 B5_2 -100.91(17) . . . . ?
B4_2 B10_2 B11_2 B5_2 -36.81(14) . . . . ?
B12_2 B10_2 B11_2 B5_2 -137.91(16) . . . . ?
C2_2 B7_2 B11_2 B6_2 39.82(14) . . . . ?
B12_2 B7_2 B11_2 B6_2 138.42(16) . . . . ?
B8_2 B7_2 B11_2 B6_2 101.02(16) . . . . ?
C2_2 B7_2 B11_2 B12_2 -98.60(16) . . . . ?
B6_2 B7_2 B11_2 B12_2 -138.42(16) . . . . ?
B8_2 B7_2 B11_2 B12_2 -37.40(15) . . . . ?
C2_2 B7_2 B11_2 B10_2 -60.63(19) . . . . ?
B6_2 B7_2 B11_2 B10_2 -100.45(17) . . . . ?
B12_2 B7_2 B11_2 B10_2 37.97(15) . . . . ?
B8_2 B7_2 B11_2 B10_2 0.6(2) . . . . ?
C2_2 B7_2 B11_2 B5_2 2.5(2) . . . . ?
B6_2 B7_2 B11_2 B5_2 -37.27(15) . . . . ?
B12_2 B7_2 B11_2 B5_2 101.15(17) . . . . ?
B8_2 B7_2 B11_2 B5_2 63.75(19) . . . . ?
C1_2 B5_2 B11_2 B6_2 -38.33(14) . . . . ?
B4_2 B5_2 B11_2 B6_2 -101.46(16) . . . . ?
B10_2 B5_2 B11_2 B6_2 -139.17(16) . . . . ?
C1_2 B5_2 B11_2 B12_2 62.93(19) . . . . ?
B6_2 B5_2 B11_2 B12_2 101.26(16) . . . . ?
B4_2 B5_2 B11_2 B12_2 -0.2(2) . . . . ?
B10_2 B5_2 B11_2 B12_2 -37.91(15) . . . . ?
C1_2 B5_2 B11_2 B10_2 100.84(16) . . . . ?
B6_2 B5_2 B11_2 B10_2 139.17(16) . . . . ?
B4_2 B5_2 B11_2 B10_2 37.72(15) . . . . ?
C1_2 B5_2 B11_2 B7_2 -0.6(2) . . . . ?
B6_2 B5_2 B11_2 B7_2 37.68(14) . . . . ?
B4_2 B5_2 B11_2 B7_2 -63.77(19) . . . . ?
B10_2 B5_2 B11_2 B7_2 -101.49(16) . . . . ?
B6_2 B11_2 B12_2 B8_2 0.1(2) . . . . ?
B10_2 B11_2 B12_2 B8_2 -100.37(17) . . . . ?
B7_2 B11_2 B12_2 B8_2 37.58(15) . . . . ?
B5_2 B11_2 B12_2 B8_2 -62.84(19) . . . . ?
B6_2 B11_2 B12_2 B7_2 -37.48(15) . . . . ?
B10_2 B11_2 B12_2 B7_2 -137.95(16) . . . . ?
B5_2 B11_2 B12_2 B7_2 -100.42(17) . . . . ?
B6_2 B11_2 B12_2 B9_2 63.85(19) . . . . ?
B10_2 B11_2 B12_2 B9_2 -36.63(15) . . . . ?
B7_2 B11_2 B12_2 B9_2 101.32(17) . . . . ?
B5_2 B11_2 B12_2 B9_2 0.9(2) . . . . ?
B6_2 B11_2 B12_2 B10_2 100.48(17) . . . . ?
B7_2 B11_2 B12_2 B10_2 137.95(16) . . . . ?
B5_2 B11_2 B12_2 B10_2 37.53(15) . . . . ?
C2_2 B8_2 B12_2 B11_2 1.9(2) . . . . ?
B3_2 B8_2 B12_2 B11_2 63.94(19) . . . . ?
B7_2 B8_2 B12_2 B11_2 -37.69(15) . . . . ?
B9_2 B8_2 B12_2 B11_2 100.55(17) . . . . ?
C2_2 B8_2 B12_2 B7_2 39.56(14) . . . . ?
B3_2 B8_2 B12_2 B7_2 101.63(16) . . . . ?
B9_2 B8_2 B12_2 B7_2 138.24(16) . . . . ?
C2_2 B8_2 B12_2 B9_2 -98.68(16) . . . . ?
B3_2 B8_2 B12_2 B9_2 -36.61(14) . . . . ?
B7_2 B8_2 B12_2 B9_2 -138.24(16) . . . . ?
C2_2 B8_2 B12_2 B10_2 -61.43(19) . . . . ?
B3_2 B8_2 B12_2 B10_2 0.6(2) . . . . ?
B7_2 B8_2 B12_2 B10_2 -100.98(17) . . . . ?
B9_2 B8_2 B12_2 B10_2 37.25(15) . . . . ?
C2_2 B7_2 B12_2 B11_2 98.70(15) . . . . ?
B6_2 B7_2 B12_2 B11_2 36.25(14) . . . . ?
B8_2 B7_2 B12_2 B11_2 138.01(16) . . . . ?
C2_2 B7_2 B12_2 B8_2 -39.30(13) . . . . ?
B6_2 B7_2 B12_2 B8_2 -101.76(16) . . . . ?
B11_2 B7_2 B12_2 B8_2 -138.01(16) . . . . ?
C2_2 B7_2 B12_2 B9_2 -1.76(19) . . . . ?
B6_2 B7_2 B12_2 B9_2 -64.21(18) . . . . ?
B8_2 B7_2 B12_2 B9_2 37.54(14) . . . . ?
B11_2 B7_2 B12_2 B9_2 -100.47(17) . . . . ?
C2_2 B7_2 B12_2 B10_2 61.17(18) . . . . ?
B6_2 B7_2 B12_2 B10_2 -1.28(19) . . . . ?
B8_2 B7_2 B12_2 B10_2 100.47(17) . . . . ?
B11_2 B7_2 B12_2 B10_2 -37.53(15) . . . . ?
B3_2 B9_2 B12_2 B11_2 -63.80(18) . . . . ?
B10_2 B9_2 B12_2 B11_2 36.81(15) . . . . ?
B8_2 B9_2 B12_2 B11_2 -101.17(17) . . . . ?
B4_2 B9_2 B12_2 B11_2 -1.3(2) . . . . ?
B3_2 B9_2 B12_2 B8_2 37.37(14) . . . . ?
B10_2 B9_2 B12_2 B8_2 137.98(17) . . . . ?
B4_2 B9_2 B12_2 B8_2 99.91(17) . . . . ?
B3_2 B9_2 B12_2 B7_2 -0.05(19) . . . . ?
B10_2 B9_2 B12_2 B7_2 100.55(17) . . . . ?
B8_2 B9_2 B12_2 B7_2 -37.42(14) . . . . ?
B4_2 B9_2 B12_2 B7_2 62.48(19) . . . . ?
B3_2 B9_2 B12_2 B10_2 -100.61(16) . . . . ?
B8_2 B9_2 B12_2 B10_2 -137.98(16) . . . . ?
B4_2 B9_2 B12_2 B10_2 -38.07(15) . . . . ?
B9_2 B10_2 B12_2 B11_2 -138.74(17) . . . . ?
B5_2 B10_2 B12_2 B11_2 -37.89(15) . . . . ?
B4_2 B10_2 B12_2 B11_2 -100.35(17) . . . . ?
B9_2 B10_2 B12_2 B8_2 -37.62(15) . . . . ?
B11_2 B10_2 B12_2 B8_2 101.12(17) . . . . ?
B5_2 B10_2 B12_2 B8_2 63.23(19) . . . . ?
B4_2 B10_2 B12_2 B8_2 0.8(2) . . . . ?
B9_2 B10_2 B12_2 B7_2 -101.03(17) . . . . ?
B11_2 B10_2 B12_2 B7_2 37.70(15) . . . . ?
B5_2 B10_2 B12_2 B7_2 -0.2(2) . . . . ?
B4_2 B10_2 B12_2 B7_2 -62.64(19) . . . . ?
B11_2 B10_2 B12_2 B9_2 138.74(17) . . . . ?
B5_2 B10_2 B12_2 B9_2 100.85(17) . . . . ?
B4_2 B10_2 B12_2 B9_2 38.39(15) . . . . ?
C2_1 B1_1 C1_3 C2_3 136.52(15) . . . . ?
C13_1 B1_1 C1_3 C2_3 -116.68(17) . . . . ?
C1_2 B1_1 C1_3 C2_3 4.61(18) . . . . ?
C2_1 B1_1 C1_3 B6_3 69.1(2) . . . . ?
C13_1 B1_1 C1_3 B6_3 175.91(15) . . . . ?
C1_2 B1_1 C1_3 B6_3 -62.81(18) . . . . ?
C2_1 B1_1 C1_3 B5_3 -2.2(3) . . . . ?
C13_1 B1_1 C1_3 B5_3 104.6(2) . . . . ?
C1_2 B1_1 C1_3 B5_3 -134.10(18) . . . . ?
C2_1 B1_1 C1_3 B4_3 -84.6(2) . . . . ?
C13_1 B1_1 C1_3 B4_3 22.2(3) . . . . ?
C1_2 B1_1 C1_3 B4_3 143.47(18) . . . . ?
C2_1 B1_1 C1_3 B3_3 -156.79(15) . . . . ?
C13_1 B1_1 C1_3 B3_3 -50.0(2) . . . . ?
C1_2 B1_1 C1_3 B3_3 71.29(18) . . . . ?
C1_2 C2_2 C2_3 C1_3 -5.93(18) . . . . ?
B8_2 C2_2 C2_3 C1_3 -146.42(17) . . . . ?
B7_2 C2_2 C2_3 C1_3 133.44(17) . . . . ?
B3_2 C2_2 C2_3 C1_3 -73.96(18) . . . . ?
B6_2 C2_2 C2_3 C1_3 60.79(19) . . . . ?
C1_2 C2_2 C2_3 B7_3 133.16(17) . . . . ?
B8_2 C2_2 C2_3 B7_3 -7.3(3) . . . . ?
B7_2 C2_2 C2_3 B7_3 -87.5(2) . . . . ?
B3_2 C2_2 C2_3 B7_3 65.1(2) . . . . ?
B6_2 C2_2 C2_3 B7_3 -160.11(16) . . . . ?
C1_2 C2_2 C2_3 B8_3 -146.55(16) . . . . ?
B8_2 C2_2 C2_3 B8_3 73.0(2) . . . . ?
B7_2 C2_2 C2_3 B8_3 -7.2(3) . . . . ?
B3_2 C2_2 C2_3 B8_3 145.42(17) . . . . ?
B6_2 C2_2 C2_3 B8_3 -79.8(2) . . . . ?
C1_2 C2_2 C2_3 B3_3 -73.69(18) . . . . ?
B8_2 C2_2 C2_3 B3_3 145.82(17) . . . . ?
B7_2 C2_2 C2_3 B3_3 65.7(2) . . . . ?
B3_2 C2_2 C2_3 B3_3 -141.72(15) . . . . ?
B6_2 C2_2 C2_3 B3_3 -7.0(2) . . . . ?
C1_2 C2_2 C2_3 B6_3 60.51(18) . . . . ?
B8_2 C2_2 C2_3 B6_3 -80.0(2) . . . . ?
B7_2 C2_2 C2_3 B6_3 -160.12(16) . . . . ?
B3_2 C2_2 C2_3 B6_3 -7.5(2) . . . . ?
B6_2 C2_2 C2_3 B6_3 127.24(16) . . . . ?
B1_1 C1_3 C2_3 C2_2 0.70(19) . . . . ?
B6_3 C1_3 C2_3 C2_2 109.29(16) . . . . ?
B5_3 C1_3 C2_3 C2_2 147.74(15) . . . . ?
B4_3 C1_3 C2_3 C2_2 -147.06(15) . . . . ?
B3_3 C1_3 C2_3 C2_2 -109.35(16) . . . . ?
B1_1 C1_3 C2_3 B7_3 -144.53(15) . . . . ?
B6_3 C1_3 C2_3 B7_3 -35.95(15) . . . . ?
B5_3 C1_3 C2_3 B7_3 2.5(2) . . . . ?
B4_3 C1_3 C2_3 B7_3 67.71(18) . . . . ?
B3_3 C1_3 C2_3 B7_3 105.41(16) . . . . ?
B1_1 C1_3 C2_3 B8_3 146.98(15) . . . . ?
B6_3 C1_3 C2_3 B8_3 -104.43(16) . . . . ?
B5_3 C1_3 C2_3 B8_3 -65.98(19) . . . . ?
B4_3 C1_3 C2_3 B8_3 -0.8(2) . . . . ?
B3_3 C1_3 C2_3 B8_3 36.93(15) . . . . ?
B1_1 C1_3 C2_3 B3_3 110.05(16) . . . . ?
B6_3 C1_3 C2_3 B3_3 -141.36(15) . . . . ?
B5_3 C1_3 C2_3 B3_3 -102.91(16) . . . . ?
B4_3 C1_3 C2_3 B3_3 -37.71(14) . . . . ?
B1_1 C1_3 C2_3 B6_3 -108.59(16) . . . . ?
B5_3 C1_3 C2_3 B6_3 38.45(14) . . . . ?
B4_3 C1_3 C2_3 B6_3 103.65(16) . . . . ?
B3_3 C1_3 C2_3 B6_3 141.36(15) . . . . ?
C2_2 C2_3 B3_3 B9_3 -159.73(16) . . . . ?
C1_3 C2_3 B3_3 B9_3 100.70(17) . . . . ?
B7_3 C2_3 B3_3 B9_3 -3.1(2) . . . . ?
B8_3 C2_3 B3_3 B9_3 -40.48(15) . . . . ?
B6_3 C2_3 B3_3 B9_3 64.52(19) . . . . ?
C2_2 C2_3 B3_3 C1_3 99.57(17) . . . . ?
B7_3 C2_3 B3_3 C1_3 -103.78(16) . . . . ?
B8_3 C2_3 B3_3 C1_3 -141.17(16) . . . . ?
B6_3 C2_3 B3_3 C1_3 -36.18(14) . . . . ?
C2_2 C2_3 B3_3 B4_3 135.85(16) . . . . ?
C1_3 C2_3 B3_3 B4_3 36.28(13) . . . . ?
B7_3 C2_3 B3_3 B4_3 -67.50(18) . . . . ?
B8_3 C2_3 B3_3 B4_3 -104.90(17) . . . . ?
B6_3 C2_3 B3_3 B4_3 0.10(19) . . . . ?
C2_2 C2_3 B3_3 B8_3 -119.25(18) . . . . ?
C1_3 C2_3 B3_3 B8_3 141.17(16) . . . . ?
B7_3 C2_3 B3_3 B8_3 37.40(16) . . . . ?
B6_3 C2_3 B3_3 B8_3 105.00(16) . . . . ?
B1_1 C1_3 B3_3 C2_3 -98.60(17) . . . . ?
B6_3 C1_3 B3_3 C2_3 36.62(14) . . . . ?
B5_3 C1_3 B3_3 C2_3 102.16(16) . . . . ?
B4_3 C1_3 B3_3 C2_3 138.37(15) . . . . ?
C2_3 C1_3 B3_3 B9_3 -97.85(16) . . . . ?
B1_1 C1_3 B3_3 B9_3 163.55(16) . . . . ?
B6_3 C1_3 B3_3 B9_3 -61.2(2) . . . . ?
B5_3 C1_3 B3_3 B9_3 4.3(2) . . . . ?
B4_3 C1_3 B3_3 B9_3 40.52(15) . . . . ?
C2_3 C1_3 B3_3 B4_3 -138.37(15) . . . . ?
B1_1 C1_3 B3_3 B4_3 123.02(18) . . . . ?
B6_3 C1_3 B3_3 B4_3 -101.75(17) . . . . ?
B5_3 C1_3 B3_3 B4_3 -36.21(15) . . . . ?
C2_3 C1_3 B3_3 B8_3 -33.79(14) . . . . ?
B1_1 C1_3 B3_3 B8_3 -132.39(17) . . . . ?
B6_3 C1_3 B3_3 B8_3 2.8(2) . . . . ?
B5_3 C1_3 B3_3 B8_3 68.38(19) . . . . ?
B4_3 C1_3 B3_3 B8_3 104.59(17) . . . . ?
C2_3 C1_3 B4_3 B3_3 38.10(14) . . . . ?
B1_1 C1_3 B4_3 B3_3 -100.8(2) . . . . ?
B6_3 C1_3 B4_3 B3_3 104.65(16) . . . . ?
B5_3 C1_3 B4_3 B3_3 140.71(16) . . . . ?
C2_3 C1_3 B4_3 B5_3 -102.61(16) . . . . ?
B1_1 C1_3 B4_3 B5_3 118.5(2) . . . . ?
B6_3 C1_3 B4_3 B5_3 -36.06(15) . . . . ?
B3_3 C1_3 B4_3 B5_3 -140.71(16) . . . . ?
C2_3 C1_3 B4_3 B10_3 -62.70(19) . . . . ?
B1_1 C1_3 B4_3 B10_3 158.44(18) . . . . ?
B6_3 C1_3 B4_3 B10_3 3.8(2) . . . . ?
B5_3 C1_3 B4_3 B10_3 39.91(15) . . . . ?
B3_3 C1_3 B4_3 B10_3 -100.80(17) . . . . ?
C2_3 C1_3 B4_3 B9_3 -0.6(2) . . . . ?
B1_1 C1_3 B4_3 B9_3 -139.50(19) . . . . ?
B6_3 C1_3 B4_3 B9_3 65.91(19) . . . . ?
B5_3 C1_3 B4_3 B9_3 101.97(17) . . . . ?
B3_3 C1_3 B4_3 B9_3 -38.74(15) . . . . ?
C2_3 B3_3 B4_3 C1_3 -34.99(13) . . . . ?
B9_3 B3_3 B4_3 C1_3 -135.34(16) . . . . ?
B8_3 B3_3 B4_3 C1_3 -96.61(16) . . . . ?
C2_3 B3_3 B4_3 B5_3 0.2(2) . . . . ?
B9_3 B3_3 B4_3 B5_3 -100.18(17) . . . . ?
C1_3 B3_3 B4_3 B5_3 35.16(14) . . . . ?
B8_3 B3_3 B4_3 B5_3 -61.5(2) . . . . ?
C2_3 B3_3 B4_3 B10_3 64.16(18) . . . . ?
B9_3 B3_3 B4_3 B10_3 -36.18(15) . . . . ?
C1_3 B3_3 B4_3 B10_3 99.15(16) . . . . ?
B8_3 B3_3 B4_3 B10_3 2.5(2) . . . . ?
C2_3 B3_3 B4_3 B9_3 100.35(16) . . . . ?
C1_3 B3_3 B4_3 B9_3 135.34(16) . . . . ?
B8_3 B3_3 B4_3 B9_3 38.72(15) . . . . ?
C2_3 C1_3 B5_3 B6_3 -39.12(14) . . . . ?
B1_1 C1_3 B5_3 B6_3 99.4(2) . . . . ?
B4_3 C1_3 B5_3 B6_3 -140.75(16) . . . . ?
B3_3 C1_3 B5_3 B6_3 -104.81(16) . . . . ?
C2_3 C1_3 B5_3 B4_3 101.63(16) . . . . ?
B1_1 C1_3 B5_3 B4_3 -119.9(2) . . . . ?
B6_3 C1_3 B5_3 B4_3 140.75(16) . . . . ?
B3_3 C1_3 B5_3 B4_3 35.94(15) . . . . ?
C2_3 C1_3 B5_3 B10_3 61.74(18) . . . . ?
B1_1 C1_3 B5_3 B10_3 -159.74(18) . . . . ?
B6_3 C1_3 B5_3 B10_3 100.86(17) . . . . ?
B4_3 C1_3 B5_3 B10_3 -39.89(15) . . . . ?
B3_3 C1_3 B5_3 B10_3 -4.0(2) . . . . ?
C2_3 C1_3 B5_3 B11_3 -0.69(19) . . . . ?
B1_1 C1_3 B5_3 B11_3 137.83(18) . . . . ?
B6_3 C1_3 B5_3 B11_3 38.43(14) . . . . ?
B4_3 C1_3 B5_3 B11_3 -102.32(17) . . . . ?
B3_3 C1_3 B5_3 B11_3 -66.38(18) . . . . ?
B3_3 B4_3 B5_3 C1_3 -35.54(14) . . . . ?
B10_3 B4_3 B5_3 C1_3 -134.94(16) . . . . ?
B9_3 B4_3 B5_3 C1_3 -98.03(17) . . . . ?
C1_3 B4_3 B5_3 B6_3 35.17(14) . . . . ?
B3_3 B4_3 B5_3 B6_3 -0.4(2) . . . . ?
B10_3 B4_3 B5_3 B6_3 -99.77(17) . . . . ?
B9_3 B4_3 B5_3 B6_3 -62.86(19) . . . . ?
C1_3 B4_3 B5_3 B10_3 134.94(16) . . . . ?
B3_3 B4_3 B5_3 B10_3 99.40(17) . . . . ?
B9_3 B4_3 B5_3 B10_3 36.91(16) . . . . ?
C1_3 B4_3 B5_3 B11_3 97.91(16) . . . . ?
B3_3 B4_3 B5_3 B11_3 62.4(2) . . . . ?
B10_3 B4_3 B5_3 B11_3 -37.03(15) . . . . ?
B9_3 B4_3 B5_3 B11_3 -0.1(2) . . . . ?
C2_3 C1_3 B6_3 B5_3 137.84(15) . . . . ?
B1_1 C1_3 B6_3 B5_3 -122.55(18) . . . . ?
B4_3 C1_3 B6_3 B5_3 36.24(15) . . . . ?
B3_3 C1_3 B6_3 B5_3 101.56(17) . . . . ?
B1_1 C1_3 B6_3 C2_3 99.61(17) . . . . ?
B5_3 C1_3 B6_3 C2_3 -137.84(15) . . . . ?
B4_3 C1_3 B6_3 C2_3 -101.60(16) . . . . ?
B3_3 C1_3 B6_3 C2_3 -36.27(14) . . . . ?
C2_3 C1_3 B6_3 B11_3 97.50(16) . . . . ?
B1_1 C1_3 B6_3 B11_3 -162.88(16) . . . . ?
B5_3 C1_3 B6_3 B11_3 -40.33(15) . . . . ?
B4_3 C1_3 B6_3 B11_3 -4.1(2) . . . . ?
B3_3 C1_3 B6_3 B11_3 61.23(19) . . . . ?
C2_3 C1_3 B6_3 B7_3 33.19(14) . . . . ?
B1_1 C1_3 B6_3 B7_3 132.80(16) . . . . ?
B5_3 C1_3 B6_3 B7_3 -104.65(17) . . . . ?
B4_3 C1_3 B6_3 B7_3 -68.41(19) . . . . ?
B3_3 C1_3 B6_3 B7_3 -3.1(2) . . . . ?
B4_3 B5_3 B6_3 C1_3 -35.21(14) . . . . ?
B10_3 B5_3 B6_3 C1_3 -99.08(17) . . . . ?
B11_3 B5_3 B6_3 C1_3 -135.83(16) . . . . ?
C1_3 B5_3 B6_3 C2_3 35.63(13) . . . . ?
B4_3 B5_3 B6_3 C2_3 0.42(19) . . . . ?
B10_3 B5_3 B6_3 C2_3 -63.45(18) . . . . ?
B11_3 B5_3 B6_3 C2_3 -100.20(16) . . . . ?
C1_3 B5_3 B6_3 B11_3 135.83(16) . . . . ?
B4_3 B5_3 B6_3 B11_3 100.62(17) . . . . ?
B10_3 B5_3 B6_3 B11_3 36.75(15) . . . . ?
C1_3 B5_3 B6_3 B7_3 97.15(16) . . . . ?
B4_3 B5_3 B6_3 B7_3 61.94(19) . . . . ?
B10_3 B5_3 B6_3 B7_3 -1.9(2) . . . . ?
B11_3 B5_3 B6_3 B7_3 -38.68(15) . . . . ?
C2_2 C2_3 B6_3 C1_3 -99.03(16) . . . . ?
B7_3 C2_3 B6_3 C1_3 141.89(16) . . . . ?
B8_3 C2_3 B6_3 C1_3 104.42(16) . . . . ?
B3_3 C2_3 B6_3 C1_3 36.65(14) . . . . ?
C2_2 C2_3 B6_3 B5_3 -136.01(16) . . . . ?
C1_3 C2_3 B6_3 B5_3 -36.98(13) . . . . ?
B7_3 C2_3 B6_3 B5_3 104.91(16) . . . . ?
B8_3 C2_3 B6_3 B5_3 67.45(18) . . . . ?
B3_3 C2_3 B6_3 B5_3 -0.32(19) . . . . ?
C2_2 C2_3 B6_3 B11_3 159.39(16) . . . . ?
C1_3 C2_3 B6_3 B11_3 -101.58(16) . . . . ?
B7_3 C2_3 B6_3 B11_3 40.31(15) . . . . ?
B8_3 C2_3 B6_3 B11_3 2.8(2) . . . . ?
B3_3 C2_3 B6_3 B11_3 -64.93(18) . . . . ?
C2_2 C2_3 B6_3 B7_3 119.08(18) . . . . ?
C1_3 C2_3 B6_3 B7_3 -141.89(16) . . . . ?
B8_3 C2_3 B6_3 B7_3 -37.47(15) . . . . ?
B3_3 C2_3 B6_3 B7_3 -105.24(17) . . . . ?
C2_2 C2_3 B7_3 B6_3 -102.6(2) . . . . ?
C1_3 C2_3 B7_3 B6_3 35.66(15) . . . . ?
B8_3 C2_3 B7_3 B6_3 140.88(16) . . . . ?
B3_3 C2_3 B7_3 B6_3 103.76(17) . . . . ?
C2_2 C2_3 B7_3 B12_3 156.85(17) . . . . ?
C1_3 C2_3 B7_3 B12_3 -64.94(18) . . . . ?
B8_3 C2_3 B7_3 B12_3 40.28(15) . . . . ?
B3_3 C2_3 B7_3 B12_3 3.2(2) . . . . ?
B6_3 C2_3 B7_3 B12_3 -100.60(16) . . . . ?
C2_2 C2_3 B7_3 B8_3 116.6(2) . . . . ?
C1_3 C2_3 B7_3 B8_3 -105.22(17) . . . . ?
B3_3 C2_3 B7_3 B8_3 -37.13(16) . . . . ?
B6_3 C2_3 B7_3 B8_3 -140.88(16) . . . . ?
C2_2 C2_3 B7_3 B11_3 -141.39(18) . . . . ?
C1_3 C2_3 B7_3 B11_3 -3.2(2) . . . . ?
B8_3 C2_3 B7_3 B11_3 102.05(17) . . . . ?
B3_3 C2_3 B7_3 B11_3 64.92(19) . . . . ?
B6_3 C2_3 B7_3 B11_3 -38.84(14) . . . . ?
C1_3 B6_3 B7_3 C2_3 -32.53(13) . . . . ?
B5_3 B6_3 B7_3 C2_3 -95.75(16) . . . . ?
B11_3 B6_3 B7_3 C2_3 -134.76(16) . . . . ?
C1_3 B6_3 B7_3 B12_3 65.07(18) . . . . ?
B5_3 B6_3 B7_3 B12_3 1.9(2) . . . . ?
C2_3 B6_3 B7_3 B12_3 97.60(16) . . . . ?
B11_3 B6_3 B7_3 B12_3 -37.16(15) . . . . ?
C1_3 B6_3 B7_3 B8_3 2.1(2) . . . . ?
B5_3 B6_3 B7_3 B8_3 -61.1(2) . . . . ?
C2_3 B6_3 B7_3 B8_3 34.60(14) . . . . ?
B11_3 B6_3 B7_3 B8_3 -100.16(17) . . . . ?
C1_3 B6_3 B7_3 B11_3 102.23(17) . . . . ?
B5_3 B6_3 B7_3 B11_3 39.02(15) . . . . ?
C2_3 B6_3 B7_3 B11_3 134.76(16) . . . . ?
C2_2 C2_3 B8_3 B3_3 102.5(2) . . . . ?
C1_3 C2_3 B8_3 B3_3 -37.03(15) . . . . ?
B7_3 C2_3 B8_3 B3_3 -141.05(16) . . . . ?
B6_3 C2_3 B8_3 B3_3 -103.94(17) . . . . ?
C2_2 C2_3 B8_3 B12_3 -156.80(17) . . . . ?
C1_3 C2_3 B8_3 B12_3 63.69(18) . . . . ?
B7_3 C2_3 B8_3 B12_3 -40.33(15) . . . . ?
B3_3 C2_3 B8_3 B12_3 100.72(17) . . . . ?
B6_3 C2_3 B8_3 B12_3 -3.2(2) . . . . ?
C2_2 C2_3 B8_3 B7_3 -116.5(2) . . . . ?
C1_3 C2_3 B8_3 B7_3 104.02(16) . . . . ?
B3_3 C2_3 B8_3 B7_3 141.05(16) . . . . ?
B6_3 C2_3 B8_3 B7_3 37.11(15) . . . . ?
C2_2 C2_3 B8_3 B9_3 141.35(18) . . . . ?
C1_3 C2_3 B8_3 B9_3 1.84(19) . . . . ?
B7_3 C2_3 B8_3 B9_3 -102.18(17) . . . . ?
B3_3 C2_3 B8_3 B9_3 38.87(15) . . . . ?
B6_3 C2_3 B8_3 B9_3 -65.07(18) . . . . ?
B9_3 B3_3 B8_3 C2_3 134.54(17) . . . . ?
C1_3 B3_3 B8_3 C2_3 32.90(14) . . . . ?
B4_3 B3_3 B8_3 C2_3 95.51(17) . . . . ?
C2_3 B3_3 B8_3 B12_3 -97.38(16) . . . . ?
B9_3 B3_3 B8_3 B12_3 37.15(15) . . . . ?
C1_3 B3_3 B8_3 B12_3 -64.49(18) . . . . ?
B4_3 B3_3 B8_3 B12_3 -1.9(2) . . . . ?
C2_3 B3_3 B8_3 B7_3 -34.30(14) . . . . ?
B9_3 B3_3 B8_3 B7_3 100.24(17) . . . . ?
C1_3 B3_3 B8_3 B7_3 -1.4(2) . . . . ?
B4_3 B3_3 B8_3 B7_3 61.2(2) . . . . ?
C2_3 B3_3 B8_3 B9_3 -134.54(17) . . . . ?
C1_3 B3_3 B8_3 B9_3 -101.64(17) . . . . ?
B4_3 B3_3 B8_3 B9_3 -39.03(16) . . . . ?
B6_3 B7_3 B8_3 C2_3 -35.01(14) . . . . ?
B12_3 B7_3 B8_3 C2_3 -133.67(16) . . . . ?
B11_3 B7_3 B8_3 C2_3 -96.95(16) . . . . ?
C2_3 B7_3 B8_3 B3_3 34.61(14) . . . . ?
B6_3 B7_3 B8_3 B3_3 -0.4(2) . . . . ?
B12_3 B7_3 B8_3 B3_3 -99.06(17) . . . . ?
B11_3 B7_3 B8_3 B3_3 -62.34(19) . . . . ?
C2_3 B7_3 B8_3 B12_3 133.67(16) . . . . ?
B6_3 B7_3 B8_3 B12_3 98.66(17) . . . . ?
B11_3 B7_3 B8_3 B12_3 36.72(14) . . . . ?
C2_3 B7_3 B8_3 B9_3 96.35(16) . . . . ?
B6_3 B7_3 B8_3 B9_3 61.35(19) . . . . ?
B12_3 B7_3 B8_3 B9_3 -37.31(14) . . . . ?
B11_3 B7_3 B8_3 B9_3 -0.59(19) . . . . ?
C2_3 B3_3 B9_3 B10_3 -62.11(19) . . . . ?
C1_3 B3_3 B9_3 B10_3 -2.9(2) . . . . ?
B4_3 B3_3 B9_3 B10_3 36.52(15) . . . . ?
B8_3 B3_3 B9_3 B10_3 -101.40(17) . . . . ?
C2_3 B3_3 B9_3 B12_3 1.6(2) . . . . ?
C1_3 B3_3 B9_3 B12_3 60.90(19) . . . . ?
B4_3 B3_3 B9_3 B12_3 100.28(18) . . . . ?
B8_3 B3_3 B9_3 B12_3 -37.64(15) . . . . ?
C2_3 B3_3 B9_3 B8_3 39.29(14) . . . . ?
C1_3 B3_3 B9_3 B8_3 98.54(16) . . . . ?
B4_3 B3_3 B9_3 B8_3 137.92(16) . . . . ?
C2_3 B3_3 B9_3 B4_3 -98.63(17) . . . . ?
C1_3 B3_3 B9_3 B4_3 -39.38(15) . . . . ?
B8_3 B3_3 B9_3 B4_3 -137.92(16) . . . . ?
C2_3 B8_3 B9_3 B3_3 -39.27(14) . . . . ?
B12_3 B8_3 B9_3 B3_3 -137.85(16) . . . . ?
B7_3 B8_3 B9_3 B3_3 -100.40(16) . . . . ?
C2_3 B8_3 B9_3 B10_3 61.12(18) . . . . ?
B3_3 B8_3 B9_3 B10_3 100.40(17) . . . . ?
B12_3 B8_3 B9_3 B10_3 -37.46(15) . . . . ?
B7_3 B8_3 B9_3 B10_3 0.0(2) . . . . ?
C2_3 B8_3 B9_3 B12_3 98.58(16) . . . . ?
B3_3 B8_3 B9_3 B12_3 137.85(16) . . . . ?
B7_3 B8_3 B9_3 B12_3 37.45(14) . . . . ?
C2_3 B8_3 B9_3 B4_3 -2.1(2) . . . . ?
B3_3 B8_3 B9_3 B4_3 37.14(15) . . . . ?
B12_3 B8_3 B9_3 B4_3 -100.71(17) . . . . ?
B7_3 B8_3 B9_3 B4_3 -63.26(19) . . . . ?
C1_3 B4_3 B9_3 B3_3 39.37(14) . . . . ?
B5_3 B4_3 B9_3 B3_3 101.65(17) . . . . ?
B10_3 B4_3 B9_3 B3_3 139.05(17) . . . . ?
C1_3 B4_3 B9_3 B10_3 -99.68(17) . . . . ?
B3_3 B4_3 B9_3 B10_3 -139.05(17) . . . . ?
B5_3 B4_3 B9_3 B10_3 -37.40(16) . . . . ?
C1_3 B4_3 B9_3 B12_3 -61.5(2) . . . . ?
B3_3 B4_3 B9_3 B12_3 -100.84(18) . . . . ?
B5_3 B4_3 B9_3 B12_3 0.8(2) . . . . ?
B10_3 B4_3 B9_3 B12_3 38.21(16) . . . . ?
C1_3 B4_3 B9_3 B8_3 1.7(2) . . . . ?
B3_3 B4_3 B9_3 B8_3 -37.63(15) . . . . ?
B5_3 B4_3 B9_3 B8_3 64.0(2) . . . . ?
B10_3 B4_3 B9_3 B8_3 101.42(17) . . . . ?
B3_3 B9_3 B10_3 B4_3 -36.24(15) . . . . ?
B12_3 B9_3 B10_3 B4_3 -137.31(16) . . . . ?
B8_3 B9_3 B10_3 B4_3 -100.04(17) . . . . ?
B3_3 B9_3 B10_3 B11_3 64.4(2) . . . . ?
B12_3 B9_3 B10_3 B11_3 -36.67(15) . . . . ?
B8_3 B9_3 B10_3 B11_3 0.6(2) . . . . ?
B4_3 B9_3 B10_3 B11_3 100.64(17) . . . . ?
B3_3 B9_3 B10_3 B5_3 0.5(2) . . . . ?
B12_3 B9_3 B10_3 B5_3 -100.59(17) . . . . ?
B8_3 B9_3 B10_3 B5_3 -63.3(2) . . . . ?
B4_3 B9_3 B10_3 B5_3 36.72(15) . . . . ?
B3_3 B9_3 B10_3 B12_3 101.07(17) . . . . ?
B8_3 B9_3 B10_3 B12_3 37.27(14) . . . . ?
B4_3 B9_3 B10_3 B12_3 137.31(16) . . . . ?
C1_3 B4_3 B10_3 B9_3 99.14(17) . . . . ?
B3_3 B4_3 B10_3 B9_3 35.97(15) . . . . ?
B5_3 B4_3 B10_3 B9_3 138.47(17) . . . . ?
C1_3 B4_3 B10_3 B11_3 -2.1(2) . . . . ?
B3_3 B4_3 B10_3 B11_3 -65.3(2) . . . . ?
B5_3 B4_3 B10_3 B11_3 37.20(16) . . . . ?
B9_3 B4_3 B10_3 B11_3 -101.26(18) . . . . ?
C1_3 B4_3 B10_3 B5_3 -39.33(15) . . . . ?
B3_3 B4_3 B10_3 B5_3 -102.50(17) . . . . ?
B9_3 B4_3 B10_3 B5_3 -138.47(17) . . . . ?
C1_3 B4_3 B10_3 B12_3 61.0(2) . . . . ?
B3_3 B4_3 B10_3 B12_3 -2.2(2) . . . . ?
B5_3 B4_3 B10_3 B12_3 100.30(18) . . . . ?
B9_3 B4_3 B10_3 B12_3 -38.16(15) . . . . ?
C1_3 B5_3 B10_3 B9_3 2.1(2) . . . . ?
B6_3 B5_3 B10_3 B9_3 64.6(2) . . . . ?
B4_3 B5_3 B10_3 B9_3 -37.44(16) . . . . ?
B11_3 B5_3 B10_3 B9_3 101.11(18) . . . . ?
C1_3 B5_3 B10_3 B4_3 39.54(15) . . . . ?
B6_3 B5_3 B10_3 B4_3 102.06(17) . . . . ?
B11_3 B5_3 B10_3 B4_3 138.56(17) . . . . ?
C1_3 B5_3 B10_3 B11_3 -99.01(17) . . . . ?
B6_3 B5_3 B10_3 B11_3 -36.49(15) . . . . ?
B4_3 B5_3 B10_3 B11_3 -138.56(17) . . . . ?
C1_3 B5_3 B10_3 B12_3 -61.30(19) . . . . ?
B6_3 B5_3 B10_3 B12_3 1.2(2) . . . . ?
B4_3 B5_3 B10_3 B12_3 -100.84(18) . . . . ?
B11_3 B5_3 B10_3 B12_3 37.71(15) . . . . ?
C1_3 B6_3 B11_3 B12_3 -60.91(19) . . . . ?
B5_3 B6_3 B11_3 B12_3 -100.26(17) . . . . ?
C2_3 B6_3 B11_3 B12_3 -1.2(2) . . . . ?
B7_3 B6_3 B11_3 B12_3 37.80(15) . . . . ?
C1_3 B6_3 B11_3 B10_3 2.6(2) . . . . ?
B5_3 B6_3 B11_3 B10_3 -36.74(15) . . . . ?
C2_3 B6_3 B11_3 B10_3 62.31(19) . . . . ?
B7_3 B6_3 B11_3 B10_3 101.32(17) . . . . ?
C1_3 B6_3 B11_3 B7_3 -98.71(16) . . . . ?
B5_3 B6_3 B11_3 B7_3 -138.06(16) . . . . ?
C2_3 B6_3 B11_3 B7_3 -39.01(14) . . . . ?
C1_3 B6_3 B11_3 B5_3 39.35(15) . . . . ?
C2_3 B6_3 B11_3 B5_3 99.05(16) . . . . ?
B7_3 B6_3 B11_3 B5_3 138.06(16) . . . . ?
B9_3 B10_3 B11_3 B6_3 -64.46(19) . . . . ?
B4_3 B10_3 B11_3 B6_3 -0.3(2) . . . . ?
B5_3 B10_3 B11_3 B6_3 36.33(15) . . . . ?
B12_3 B10_3 B11_3 B6_3 -101.26(17) . . . . ?
B9_3 B10_3 B11_3 B12_3 36.80(15) . . . . ?
B4_3 B10_3 B11_3 B12_3 100.98(17) . . . . ?
B5_3 B10_3 B11_3 B12_3 137.58(17) . . . . ?
B9_3 B10_3 B11_3 B7_3 -1.0(2) . . . . ?
B4_3 B10_3 B11_3 B7_3 63.21(19) . . . . ?
B5_3 B10_3 B11_3 B7_3 99.81(16) . . . . ?
B12_3 B10_3 B11_3 B7_3 -37.77(14) . . . . ?
B9_3 B10_3 B11_3 B5_3 -100.78(17) . . . . ?
B4_3 B10_3 B11_3 B5_3 -36.60(15) . . . . ?
B12_3 B10_3 B11_3 B5_3 -137.58(17) . . . . ?
C2_3 B7_3 B11_3 B6_3 39.40(14) . . . . ?
B12_3 B7_3 B11_3 B6_3 137.72(16) . . . . ?
B8_3 B7_3 B11_3 B6_3 100.84(16) . . . . ?
C2_3 B7_3 B11_3 B12_3 -98.32(16) . . . . ?
B6_3 B7_3 B11_3 B12_3 -137.72(16) . . . . ?
B8_3 B7_3 B11_3 B12_3 -36.88(14) . . . . ?
C2_3 B7_3 B11_3 B10_3 -60.47(18) . . . . ?
B6_3 B7_3 B11_3 B10_3 -99.87(17) . . . . ?
B12_3 B7_3 B11_3 B10_3 37.85(14) . . . . ?
B8_3 B7_3 B11_3 B10_3 1.0(2) . . . . ?
C2_3 B7_3 B11_3 B5_3 2.6(2) . . . . ?
B6_3 B7_3 B11_3 B5_3 -36.79(14) . . . . ?
B12_3 B7_3 B11_3 B5_3 100.93(17) . . . . ?
B8_3 B7_3 B11_3 B5_3 64.04(19) . . . . ?
C1_3 B5_3 B11_3 B6_3 -38.63(14) . . . . ?
B4_3 B5_3 B11_3 B6_3 -101.29(17) . . . . ?
B10_3 B5_3 B11_3 B6_3 -138.61(17) . . . . ?
C1_3 B5_3 B11_3 B12_3 62.05(19) . . . . ?
B6_3 B5_3 B11_3 B12_3 100.68(17) . . . . ?
B4_3 B5_3 B11_3 B12_3 -0.6(2) . . . . ?
B10_3 B5_3 B11_3 B12_3 -37.93(16) . . . . ?
C1_3 B5_3 B11_3 B10_3 99.98(17) . . . . ?
B6_3 B5_3 B11_3 B10_3 138.61(17) . . . . ?
B4_3 B5_3 B11_3 B10_3 37.32(15) . . . . ?
C1_3 B5_3 B11_3 B7_3 -1.2(2) . . . . ?
B6_3 B5_3 B11_3 B7_3 37.38(15) . . . . ?
B4_3 B5_3 B11_3 B7_3 -63.91(19) . . . . ?
B10_3 B5_3 B11_3 B7_3 -101.23(17) . . . . ?
B6_3 B11_3 B12_3 B9_3 63.3(2) . . . . ?
B10_3 B11_3 B12_3 B9_3 -36.63(16) . . . . ?
B7_3 B11_3 B12_3 B9_3 101.14(17) . . . . ?
B5_3 B11_3 B12_3 B9_3 1.1(2) . . . . ?
B6_3 B11_3 B12_3 B8_3 -0.7(2) . . . . ?
B10_3 B11_3 B12_3 B8_3 -100.61(17) . . . . ?
B7_3 B11_3 B12_3 B8_3 37.16(15) . . . . ?
B5_3 B11_3 B12_3 B8_3 -62.9(2) . . . . ?
B6_3 B11_3 B12_3 B10_3 99.91(17) . . . . ?
B7_3 B11_3 B12_3 B10_3 137.77(16) . . . . ?
B5_3 B11_3 B12_3 B10_3 37.74(15) . . . . ?
B6_3 B11_3 B12_3 B7_3 -37.86(15) . . . . ?
B10_3 B11_3 B12_3 B7_3 -137.77(16) . . . . ?
B5_3 B11_3 B12_3 B7_3 -100.03(16) . . . . ?
B3_3 B9_3 B12_3 B11_3 -63.7(2) . . . . ?
B10_3 B9_3 B12_3 B11_3 36.81(16) . . . . ?
B8_3 B9_3 B12_3 B11_3 -101.56(17) . . . . ?
B4_3 B9_3 B12_3 B11_3 -1.2(2) . . . . ?
B3_3 B9_3 B12_3 B8_3 37.82(15) . . . . ?
B10_3 B9_3 B12_3 B8_3 138.37(16) . . . . ?
B4_3 B9_3 B12_3 B8_3 100.37(17) . . . . ?
B3_3 B9_3 B12_3 B10_3 -100.55(18) . . . . ?
B8_3 B9_3 B12_3 B10_3 -138.37(16) . . . . ?
B4_3 B9_3 B12_3 B10_3 -38.00(15) . . . . ?
B3_3 B9_3 B12_3 B7_3 0.2(2) . . . . ?
B10_3 B9_3 B12_3 B7_3 100.75(17) . . . . ?
B8_3 B9_3 B12_3 B7_3 -37.62(15) . . . . ?
B4_3 B9_3 B12_3 B7_3 62.8(2) . . . . ?
C2_3 B8_3 B12_3 B11_3 2.3(2) . . . . ?
B3_3 B8_3 B12_3 B11_3 64.10(19) . . . . ?
B7_3 B8_3 B12_3 B11_3 -37.30(15) . . . . ?
B9_3 B8_3 B12_3 B11_3 100.72(17) . . . . ?
C2_3 B8_3 B12_3 B9_3 -98.40(16) . . . . ?
B3_3 B8_3 B12_3 B9_3 -36.62(14) . . . . ?
B7_3 B8_3 B12_3 B9_3 -138.02(16) . . . . ?
C2_3 B8_3 B12_3 B10_3 -61.32(19) . . . . ?
B3_3 B8_3 B12_3 B10_3 0.5(2) . . . . ?
B7_3 B8_3 B12_3 B10_3 -100.94(17) . . . . ?
B9_3 B8_3 B12_3 B10_3 37.09(15) . . . . ?
C2_3 B8_3 B12_3 B7_3 39.62(14) . . . . ?
B3_3 B8_3 B12_3 B7_3 101.40(16) . . . . ?
B9_3 B8_3 B12_3 B7_3 138.02(16) . . . . ?
B9_3 B10_3 B12_3 B11_3 -138.92(16) . . . . ?
B4_3 B10_3 B12_3 B11_3 -100.44(17) . . . . ?
B5_3 B10_3 B12_3 B11_3 -38.03(15) . . . . ?
B4_3 B10_3 B12_3 B9_3 38.47(15) . . . . ?
B11_3 B10_3 B12_3 B9_3 138.92(16) . . . . ?
B5_3 B10_3 B12_3 B9_3 100.88(17) . . . . ?
B9_3 B10_3 B12_3 B8_3 -37.41(15) . . . . ?
B4_3 B10_3 B12_3 B8_3 1.1(2) . . . . ?
B11_3 B10_3 B12_3 B8_3 101.51(17) . . . . ?
B5_3 B10_3 B12_3 B8_3 63.5(2) . . . . ?
B9_3 B10_3 B12_3 B7_3 -100.97(17) . . . . ?
B4_3 B10_3 B12_3 B7_3 -62.50(19) . . . . ?
B11_3 B10_3 B12_3 B7_3 37.95(15) . . . . ?
B5_3 B10_3 B12_3 B7_3 -0.1(2) . . . . ?
C2_3 B7_3 B12_3 B11_3 98.95(16) . . . . ?
B6_3 B7_3 B12_3 B11_3 36.74(14) . . . . ?
B8_3 B7_3 B12_3 B11_3 138.66(16) . . . . ?
C2_3 B7_3 B12_3 B9_3 -2.0(2) . . . . ?
B6_3 B7_3 B12_3 B9_3 -64.17(19) . . . . ?
B8_3 B7_3 B12_3 B9_3 37.75(15) . . . . ?
B11_3 B7_3 B12_3 B9_3 -100.91(17) . . . . ?
C2_3 B7_3 B12_3 B8_3 -39.72(14) . . . . ?
B6_3 B7_3 B12_3 B8_3 -101.92(16) . . . . ?
B11_3 B7_3 B12_3 B8_3 -138.66(16) . . . . ?
C2_3 B7_3 B12_3 B10_3 61.16(19) . . . . ?
B6_3 B7_3 B12_3 B10_3 -1.05(19) . . . . ?
B8_3 B7_3 B12_3 B10_3 100.87(17) . . . . ?
B11_3 B7_3 B12_3 B10_3 -37.79(15) . . . . ?
C7_11 C2_11 C3_11 C4_11 0.0 . . . . ?
C1_11 C2_11 C3_11 C4_11 -179.6 . . . . ?
C2_11 C3_11 C4_11 C5_11 0.1 . . . . ?
C3_11 C4_11 C5_11 C6_11 -0.2 . . . . ?
C4_11 C5_11 C6_11 C7_11 0.4 . . . . ?
C5_11 C6_11 C7_11 C2_11 -0.3 . . . . ?
C3_11 C2_11 C7_11 C6_11 0.2 . . . . ?
C1_11 C2_11 C7_11 C6_11 179.8 . . . . ?


