# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_1_0m
_database_code_depnum_ccdc_archive 'CCDC 2496931'
loop_
_audit_author_name
_audit_author_address
'Ju-You Lu'
;Hainan University
China
;
_audit_update_record             
;
2025-10-21 deposited with the CCDC.	2026-02-04 downloaded from the CCDC.
;
_audit_creation_date             2024-11-04
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C16 H32 B20 Cu2 N2 O3)'
_chemical_formula_sum            'C32 H64 B40 Cu4 N4 O6'
_chemical_formula_weight         1287.43
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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'
Cu Cu -1.9646 0.5888 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   7.3682(3)
_cell_length_b                   10.1761(4)
_cell_length_c                   22.8548(10)
_cell_angle_alpha                85.791(2)
_cell_angle_beta                 86.643(2)
_cell_angle_gamma                70.673(2)
_cell_volume                     1611.64(12)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9444
_cell_measurement_temperature    170
_cell_measurement_theta_max      63.839
_cell_measurement_theta_min      3.881
_shelx_estimated_absorpt_T_max   0.932
_shelx_estimated_absorpt_T_min   0.870
_exptl_absorpt_coefficient_mu    1.798
_exptl_absorpt_correction_T_max  0.7524
_exptl_absorpt_correction_T_min  0.6174
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1249 before and 0.0657 after correction.
The Ratio of minimum to maximum transmission is 0.8206.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.326
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0526
_diffrn_reflns_av_unetI/netI     0.0516
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            13973
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        63.838
_diffrn_reflns_theta_max         63.838
_diffrn_reflns_theta_min         3.881
_diffrn_ambient_temperature      170
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker d8 venture'
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_diffrn_source_current           1.2
_diffrn_source_power             0.06
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4706
_reflns_number_total             5282
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.372
_refine_diff_density_min         -0.416
_refine_diff_density_rms         0.068
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     393
_refine_ls_number_reflns         5282
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0447
_refine_ls_R_factor_gt           0.0398
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0581P)²+0.9139P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1095
_refine_ls_wR_factor_ref         0.1141
_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. Restrained distances
 O1-H1
 0.87 with sigma of 0.02
3.a Aromatic/amide H refined with riding coordinates:
 C13(H13), C3(H3), C14(H14), C4(H4), C16(H16), C15(H15), C2(H2), C1(H1A)
3.b Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C)
3.c Boron cage BH refined with riding coordinates:
 B17(H17), B12(H12), B1(H1B), B15(H15A), B5(H5), B16(H16A), B11(H11),
 B13(H13A), B18(H18), B14(H14A), B19(H19), B20(H20), B3(H3A), B4(H4A), B2(H2A),
 B7(H7), B6(H6), B9(H9), B8(H8), B10(H10)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_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
Cu2 Cu 0.12659(5) 0.53074(3) 0.82675(2) 0.02608(13) Uani 1 1 d . . . . .
Cu1 Cu 0.39729(5) 0.65160(3) 0.71768(2) 0.02596(13) Uani 1 1 d . . . . .
O1 O 0.1948(3) 0.66022(17) 0.77410(8) 0.0298(4) Uani 1 1 d D . . . .
O2 O 0.5257(3) 0.45326(19) 0.73636(9) 0.0417(5) Uani 1 1 d . . . . .
O3 O 0.3653(3) 0.3836(2) 0.81079(10) 0.0510(6) Uani 1 1 d . . . . .
N1 N 0.6307(3) 0.6445(2) 0.66244(10) 0.0306(5) Uani 1 1 d . . . . .
N2 N 0.0289(3) 0.3795(2) 0.86731(9) 0.0275(5) Uani 1 1 d . . . . .
C10 C -0.1361(3) 0.4217(2) 0.89954(11) 0.0232(5) Uani 1 1 d . . . . .
C8 C 0.5019(4) 0.3647(3) 0.77394(12) 0.0305(6) Uani 1 1 d . . . . .
C6 C 0.4202(4) 0.8673(2) 0.62653(10) 0.0238(5) Uani 1 1 d . . . . .
C12 C -0.1032(3) 0.6645(2) 0.86312(10) 0.0219(5) Uani 1 1 d . . . . .
C5 C 0.6055(4) 0.7504(2) 0.62104(11) 0.0243(5) Uani 1 1 d . . . . .
C11 C -0.2269(3) 0.5771(2) 0.90164(10) 0.0206(5) Uani 1 1 d . . . . .
C7 C 0.2768(4) 0.8400(2) 0.68041(10) 0.0248(5) Uani 1 1 d . . . . .
C13 C -0.2163(4) 0.3302(3) 0.92884(12) 0.0302(6) Uani 1 1 d . . . . .
H13 H -0.332168 0.363760 0.951809 0.036 Uiso 1 1 calc R U . . .
C3 C 0.9110(4) 0.6375(3) 0.57511(13) 0.0351(6) Uani 1 1 d . . . . .
H3 H 1.005513 0.633255 0.544527 0.042 Uiso 1 1 calc R U . . .
C14 C -0.1252(4) 0.1879(3) 0.92434(13) 0.0340(6) Uani 1 1 d . . . . .
H14 H -0.178652 0.122491 0.943634 0.041 Uiso 1 1 calc R U . . .
C4 C 0.7421(4) 0.7498(3) 0.57707(11) 0.0303(6) Uani 1 1 d . . . . .
H4 H 0.720505 0.825495 0.548477 0.036 Uiso 1 1 calc R U . . .
C16 C 0.1172(4) 0.2414(3) 0.86345(13) 0.0333(6) Uani 1 1 d . . . . .
H16 H 0.234003 0.210125 0.840721 0.040 Uiso 1 1 calc R U . . .
C15 C 0.0445(4) 0.1435(3) 0.89124(12) 0.0338(6) Uani 1 1 d . . . . .
H15 H 0.110458 0.046737 0.887660 0.041 Uiso 1 1 calc R U . . .
C2 C 0.9391(4) 0.5321(3) 0.61842(14) 0.0393(7) Uani 1 1 d . . . . .
H2 H 1.056011 0.455777 0.619040 0.047 Uiso 1 1 calc R U . . .
C1 C 0.7969(4) 0.5383(3) 0.66072(14) 0.0411(7) Uani 1 1 d . . . . .
H1A H 0.817246 0.464207 0.690018 0.049 Uiso 1 1 calc R U . . .
B17 B -0.3166(4) 0.6621(3) 0.83695(12) 0.0255(6) Uani 1 1 d . . . . .
H17 H -0.326013 0.610320 0.796179 0.031 Uiso 1 1 calc R U . . .
B12 B -0.1012(4) 0.6574(3) 0.93877(12) 0.0254(6) Uani 1 1 d . . . . .
H12 H 0.029962 0.602824 0.964597 0.030 Uiso 1 1 calc R U . . .
C9 C 0.6497(5) 0.2230(3) 0.77596(15) 0.0528(9) Uani 1 1 d . . . . .
H9A H 0.629208 0.169902 0.744354 0.079 Uiso 1 1 calc R U . . .
H9B H 0.638526 0.174340 0.813935 0.079 Uiso 1 1 calc R U . . .
H9C H 0.778344 0.231578 0.770933 0.079 Uiso 1 1 calc R U . . .
B1 B 0.3933(4) 0.9588(3) 0.68819(12) 0.0279(6) Uani 1 1 d . . . . .
H1B H 0.506585 0.944298 0.720940 0.033 Uiso 1 1 calc R U . . .
B15 B -0.3771(4) 0.9136(3) 0.89605(13) 0.0286(6) Uani 1 1 d . . . . .
H15A H -0.429708 1.030354 0.894252 0.034 Uiso 1 1 calc R U . . .
B5 B 0.2204(4) 0.8312(3) 0.60878(13) 0.0293(6) Uani 1 1 d . . . . .
H5 H 0.221556 0.732709 0.589629 0.035 Uiso 1 1 calc R U . . .
B16 B -0.4945(4) 0.8179(3) 0.85828(13) 0.0278(6) Uani 1 1 d . . . . .
H16A H -0.623859 0.871082 0.831505 0.033 Uiso 1 1 calc R U . . .
B11 B -0.1270(4) 0.8141(3) 0.89701(14) 0.0280(6) Uani 1 1 d . . . . .
H11 H -0.012755 0.864644 0.895368 0.034 Uiso 1 1 calc R U . . .
B13 B -0.3369(4) 0.6559(3) 0.96329(12) 0.0259(6) Uani 1 1 d . . . . .
H13A H -0.361524 0.600156 1.005551 0.031 Uiso 1 1 calc R U . . .
B18 B -0.2593(4) 0.8175(3) 0.83472(13) 0.0288(6) Uani 1 1 d . . . . .
H18 H -0.232174 0.870605 0.792047 0.035 Uiso 1 1 calc R U . . .
B14 B -0.5056(4) 0.8147(3) 0.93685(12) 0.0280(6) Uani 1 1 d . . . . .
H14A H -0.642803 0.866535 0.962015 0.034 Uiso 1 1 calc R U . . .
B19 B -0.4693(4) 0.6592(3) 0.90031(13) 0.0262(6) Uani 1 1 d . . . . .
H19 H -0.580429 0.605904 0.901302 0.031 Uiso 1 1 calc R U . . .
B20 B -0.2782(5) 0.8122(3) 0.96095(13) 0.0299(6) Uani 1 1 d . . . . .
H20 H -0.265050 0.861620 1.001998 0.036 Uiso 1 1 calc R U . . .
B3 B 0.0071(5) 1.0982(4) 0.65095(14) 0.0401(8) Uani 1 1 d . . . . .
H3A H -0.136533 1.178796 0.659305 0.048 Uiso 1 1 calc R U . . .
B4 B 0.0411(4) 0.9171(3) 0.66076(13) 0.0338(7) Uani 1 1 d . . . . .
H4A H -0.078573 0.876406 0.676013 0.041 Uiso 1 1 calc R U . . .
B2 B 0.1478(4) 0.9951(3) 0.70912(13) 0.0311(7) Uani 1 1 d . . . . .
H2A H 0.097258 1.005947 0.756254 0.037 Uiso 1 1 calc R U . . .
B7 B 0.4065(5) 1.0376(3) 0.61589(13) 0.0309(7) Uani 1 1 d . . . . .
H7 H 0.529131 1.075369 0.600975 0.037 Uiso 1 1 calc R U . . .
B6 B 0.2992(4) 0.9584(3) 0.56707(13) 0.0309(7) Uani 1 1 d . . . . .
H6 H 0.351616 0.944281 0.520202 0.037 Uiso 1 1 calc R U . . .
B9 B 0.0523(5) 0.9957(4) 0.58880(14) 0.0384(8) Uani 1 1 d . . . . .
H9 H -0.060689 1.007908 0.556204 0.046 Uiso 1 1 calc R U . . .
B8 B 0.1680(5) 1.1239(3) 0.59333(14) 0.0400(8) Uani 1 1 d . . . . .
H8 H 0.130971 1.220952 0.563690 0.048 Uiso 1 1 calc R U . . .
B10 B 0.2270(5) 1.1248(3) 0.66836(14) 0.0361(7) Uani 1 1 d . . . . .
H10 H 0.228889 1.221789 0.688162 0.043 Uiso 1 1 calc R U . . .
H1 H 0.110(4) 0.741(2) 0.7735(15) 0.047(10) Uiso 1 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu2 O1 1.8899(17) . ?
Cu2 O3 1.9314(19) . ?
Cu2 N2 2.047(2) . ?
Cu2 C12 1.971(2) . ?
Cu1 O1 1.8976(17) . ?
Cu1 O2 1.9514(18) . ?
Cu1 N1 2.057(2) . ?
Cu1 C7 1.978(2) . ?
O1 H1 0.847(18) . ?
O2 C8 1.246(3) . ?
O3 C8 1.248(3) . ?
N1 C5 1.353(3) . ?
N1 C1 1.339(4) . ?
N2 C10 1.342(3) . ?
N2 C16 1.347(3) . ?
C10 C11 1.502(3) . ?
C10 C13 1.375(4) . ?
C8 C9 1.492(4) . ?
C6 C5 1.490(3) . ?
C6 C7 1.644(3) . ?
C6 B1 1.712(4) . ?
C6 B5 1.707(4) . ?
C6 B7 1.703(4) . ?
C6 B6 1.706(4) . ?
C12 C11 1.651(3) . ?
C12 B17 1.723(4) . ?
C12 B12 1.726(4) . ?
C12 B11 1.711(4) . ?
C12 B18 1.710(3) . ?
C5 C4 1.379(4) . ?
C11 B17 1.709(3) . ?
C11 B12 1.715(4) . ?
C11 B13 1.699(3) . ?
C11 B19 1.704(3) . ?
C7 B1 1.722(4) . ?
C7 B5 1.728(4) . ?
C7 B4 1.723(4) . ?
C7 B2 1.706(4) . ?
C13 H13 0.9500 . ?
C13 C14 1.388(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.385(4) . ?
C3 C2 1.376(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.381(4) . ?
C4 H4 0.9500 . ?
C16 H16 0.9500 . ?
C16 C15 1.379(4) . ?
C15 H15 0.9500 . ?
C2 H2 0.9500 . ?
C2 C1 1.372(4) . ?
C1 H1A 0.9500 . ?
B17 H17 1.1200 . ?
B17 B16 1.770(4) . ?
B17 B18 1.763(4) . ?
B17 B19 1.786(4) . ?
B12 H12 1.1200 . ?
B12 B11 1.757(4) . ?
B12 B13 1.798(4) . ?
B12 B20 1.766(4) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
B1 H1B 1.1200 . ?
B1 B2 1.766(4) . ?
B1 B7 1.795(4) . ?
B1 B10 1.773(4) . ?
B15 H15A 1.1200 . ?
B15 B16 1.791(4) . ?
B15 B11 1.786(4) . ?
B15 B18 1.780(4) . ?
B15 B14 1.779(4) . ?
B15 B20 1.789(4) . ?
B5 H5 1.1200 . ?
B5 B4 1.768(4) . ?
B5 B6 1.782(4) . ?
B5 B9 1.769(4) . ?
B16 H16A 1.1200 . ?
B16 B18 1.783(4) . ?
B16 B14 1.791(4) . ?
B16 B19 1.778(4) . ?
B11 H11 1.1200 . ?
B11 B18 1.764(4) . ?
B11 B20 1.788(4) . ?
B13 H13A 1.1200 . ?
B13 B14 1.771(4) . ?
B13 B19 1.778(4) . ?
B13 B20 1.778(4) . ?
B18 H18 1.1200 . ?
B14 H14A 1.1200 . ?
B14 B19 1.778(4) . ?
B14 B20 1.786(4) . ?
B19 H19 1.1200 . ?
B20 H20 1.1200 . ?
B3 H3A 1.1200 . ?
B3 B4 1.775(5) . ?
B3 B2 1.783(4) . ?
B3 B9 1.774(5) . ?
B3 B8 1.783(5) . ?
B3 B10 1.799(5) . ?
B4 H4A 1.1200 . ?
B4 B2 1.765(5) . ?
B4 B9 1.785(4) . ?
B2 H2A 1.1200 . ?
B2 B10 1.793(4) . ?
B7 H7 1.1200 . ?
B7 B6 1.782(4) . ?
B7 B8 1.773(5) . ?
B7 B10 1.780(4) . ?
B6 H6 1.1200 . ?
B6 B9 1.779(4) . ?
B6 B8 1.770(4) . ?
B9 H9 1.1200 . ?
B9 B8 1.790(5) . ?
B8 H8 1.1200 . ?
B8 B10 1.795(5) . ?
B10 H10 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
O1 Cu2 O3 92.67(8) . . ?
O1 Cu2 N2 167.09(9) . . ?
O1 Cu2 C12 97.19(8) . . ?
O3 Cu2 N2 86.93(8) . . ?
O3 Cu2 C12 165.97(10) . . ?
C12 Cu2 N2 85.66(9) . . ?
O1 Cu1 O2 92.60(7) . . ?
O1 Cu1 N1 174.94(9) . . ?
O1 Cu1 C7 96.03(9) . . ?
O2 Cu1 N1 86.85(8) . . ?
O2 Cu1 C7 167.17(10) . . ?
C7 Cu1 N1 85.37(9) . . ?
Cu2 O1 Cu1 135.59(9) . . ?
Cu2 O1 H1 113(2) . . ?
Cu1 O1 H1 112(2) . . ?
C8 O2 Cu1 135.74(17) . . ?
C8 O3 Cu2 136.36(18) . . ?
C5 N1 Cu1 116.43(17) . . ?
C1 N1 Cu1 125.39(18) . . ?
C1 N1 C5 117.9(2) . . ?
C10 N2 Cu2 117.37(15) . . ?
C10 N2 C16 117.9(2) . . ?
C16 N2 Cu2 124.71(18) . . ?
N2 C10 C11 115.0(2) . . ?
N2 C10 C13 122.8(2) . . ?
C13 C10 C11 122.2(2) . . ?
O2 C8 O3 126.0(2) . . ?
O2 C8 C9 117.8(2) . . ?
O3 C8 C9 116.2(2) . . ?
C5 C6 C7 113.47(19) . . ?
C5 C6 B1 114.9(2) . . ?
C5 C6 B5 115.4(2) . . ?
C5 C6 B7 122.4(2) . . ?
C5 C6 B6 122.6(2) . . ?
C7 C6 B1 61.72(16) . . ?
C7 C6 B5 62.06(15) . . ?
C7 C6 B7 113.16(19) . . ?
C7 C6 B6 113.10(19) . . ?
B5 C6 B1 115.0(2) . . ?
B7 C6 B1 63.41(16) . . ?
B7 C6 B5 115.3(2) . . ?
B7 C6 B6 63.05(17) . . ?
B6 C6 B1 115.66(19) . . ?
B6 C6 B5 62.92(17) . . ?
C11 C12 Cu2 108.90(14) . . ?
C11 C12 B17 60.81(14) . . ?
C11 C12 B12 61.00(15) . . ?
C11 C12 B11 109.08(18) . . ?
C11 C12 B18 109.05(18) . . ?
B17 C12 Cu2 113.59(16) . . ?
B17 C12 B12 113.33(19) . . ?
B12 C12 Cu2 113.53(15) . . ?
B11 C12 Cu2 129.92(17) . . ?
B11 C12 B17 112.94(19) . . ?
B11 C12 B12 61.49(15) . . ?
B18 C12 Cu2 130.20(16) . . ?
B18 C12 B17 61.82(16) . . ?
B18 C12 B12 112.57(18) . . ?
B18 C12 B11 62.08(16) . . ?
N1 C5 C6 115.2(2) . . ?
N1 C5 C4 122.2(2) . . ?
C4 C5 C6 122.6(2) . . ?
C10 C11 C12 113.08(18) . . ?
C10 C11 B17 115.1(2) . . ?
C10 C11 B12 114.96(19) . . ?
C10 C11 B13 122.86(19) . . ?
C10 C11 B19 122.9(2) . . ?
C12 C11 B17 61.68(15) . . ?
C12 C11 B12 61.66(15) . . ?
C12 C11 B13 113.20(18) . . ?
C12 C11 B19 112.96(18) . . ?
B17 C11 B12 114.62(18) . . ?
B13 C11 B17 115.35(18) . . ?
B13 C11 B12 63.55(16) . . ?
B13 C11 B19 62.98(16) . . ?
B19 C11 B17 63.10(15) . . ?
B19 C11 B12 115.63(19) . . ?
C6 C7 Cu1 108.88(15) . . ?
C6 C7 B1 61.10(15) . . ?
C6 C7 B5 60.78(15) . . ?
C6 C7 B4 109.21(19) . . ?
C6 C7 B2 109.38(19) . . ?
B1 C7 Cu1 115.96(16) . . ?
B1 C7 B5 113.38(19) . . ?
B1 C7 B4 113.1(2) . . ?
B5 C7 Cu1 111.16(16) . . ?
B4 C7 Cu1 127.87(18) . . ?
B4 C7 B5 61.62(16) . . ?
B2 C7 Cu1 131.85(16) . . ?
B2 C7 B1 62.02(17) . . ?
B2 C7 B5 112.52(19) . . ?
B2 C7 B4 61.94(18) . . ?
C10 C13 H13 120.5 . . ?
C10 C13 C14 119.0(2) . . ?
C14 C13 H13 120.5 . . ?
C4 C3 H3 120.7 . . ?
C2 C3 H3 120.7 . . ?
C2 C3 C4 118.6(2) . . ?
C13 C14 H14 120.7 . . ?
C15 C14 C13 118.6(2) . . ?
C15 C14 H14 120.7 . . ?
C5 C4 C3 119.2(2) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
N2 C16 H16 118.7 . . ?
N2 C16 C15 122.5(2) . . ?
C15 C16 H16 118.7 . . ?
C14 C15 H15 120.4 . . ?
C16 C15 C14 119.1(2) . . ?
C16 C15 H15 120.4 . . ?
C3 C2 H2 120.3 . . ?
C1 C2 C3 119.4(3) . . ?
C1 C2 H2 120.3 . . ?
N1 C1 C2 122.8(3) . . ?
N1 C1 H1A 118.6 . . ?
C2 C1 H1A 118.6 . . ?
C12 B17 H17 123.6 . . ?
C12 B17 B16 106.1(2) . . ?
C12 B17 B18 58.71(15) . . ?
C12 B17 B19 105.71(19) . . ?
C11 B17 C12 57.50(14) . . ?
C11 B17 H17 125.2 . . ?
C11 B17 B16 104.33(19) . . ?
C11 B17 B18 104.0(2) . . ?
C11 B17 B19 58.32(15) . . ?
B16 B17 H17 122.5 . . ?
B16 B17 B19 60.00(15) . . ?
B18 B17 H17 122.2 . . ?
B18 B17 B16 60.62(16) . . ?
B18 B17 B19 108.2(2) . . ?
B19 B17 H17 121.9 . . ?
C12 B12 H12 123.7 . . ?
C12 B12 B11 58.85(15) . . ?
C12 B12 B13 105.0(2) . . ?
C12 B12 B20 106.15(18) . . ?
C11 B12 C12 57.34(14) . . ?
C11 B12 H12 125.5 . . ?
C11 B12 B11 104.13(19) . . ?
C11 B12 B13 57.80(15) . . ?
C11 B12 B20 103.98(19) . . ?
B11 B12 H12 121.9 . . ?
B11 B12 B13 108.2(2) . . ?
B11 B12 B20 60.99(16) . . ?
B13 B12 H12 122.3 . . ?
B20 B12 H12 122.4 . . ?
B20 B12 B13 59.85(16) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6 B1 C7 57.18(14) . . ?
C6 B1 H1B 125.5 . . ?
C6 B1 B2 103.6(2) . . ?
C6 B1 B7 58.04(15) . . ?
C6 B1 B10 104.1(2) . . ?
C7 B1 H1B 123.8 . . ?
C7 B1 B2 58.54(16) . . ?
C7 B1 B7 105.2(2) . . ?
C7 B1 B10 106.1(2) . . ?
B2 B1 H1B 122.3 . . ?
B2 B1 B7 108.0(2) . . ?
B2 B1 B10 60.89(17) . . ?
B7 B1 H1B 122.2 . . ?
B10 B1 H1B 122.4 . . ?
B10 B1 B7 59.86(16) . . ?
B16 B15 H15A 121.7 . . ?
B11 B15 H15A 122.1 . . ?
B11 B15 B16 107.53(19) . . ?
B11 B15 B20 60.02(16) . . ?
B18 B15 H15A 122.2 . . ?
B18 B15 B16 59.89(17) . . ?
B18 B15 B11 59.29(16) . . ?
B18 B15 B20 107.45(19) . . ?
B14 B15 H15A 121.6 . . ?
B14 B15 B16 60.22(17) . . ?
B14 B15 B11 107.86(19) . . ?
B14 B15 B18 107.8(2) . . ?
B14 B15 B20 60.07(17) . . ?
B20 B15 H15A 121.7 . . ?
B20 B15 B16 108.2(2) . . ?
C6 B5 C7 57.16(14) . . ?
C6 B5 H5 125.1 . . ?
C6 B5 B4 104.3(2) . . ?
C6 B5 B6 58.51(16) . . ?
C6 B5 B9 104.6(2) . . ?
C7 B5 H5 123.7 . . ?
C7 B5 B4 59.06(16) . . ?
C7 B5 B6 105.6(2) . . ?
C7 B5 B9 106.1(2) . . ?
B4 B5 H5 121.9 . . ?
B4 B5 B6 108.5(2) . . ?
B4 B5 B9 60.64(17) . . ?
B6 B5 H5 121.8 . . ?
B9 B5 H5 122.4 . . ?
B9 B5 B6 60.15(18) . . ?
B17 B16 B15 107.6(2) . . ?
B17 B16 H16A 121.7 . . ?
B17 B16 B18 59.52(16) . . ?
B17 B16 B14 107.84(19) . . ?
B17 B16 B19 60.45(15) . . ?
B15 B16 H16A 122.1 . . ?
B18 B16 B15 59.75(17) . . ?
B18 B16 H16A 122.2 . . ?
B18 B16 B14 107.1(2) . . ?
B14 B16 B15 59.55(17) . . ?
B14 B16 H16A 122.1 . . ?
B19 B16 B15 107.6(2) . . ?
B19 B16 H16A 121.7 . . ?
B19 B16 B18 107.66(19) . . ?
B19 B16 B14 59.78(16) . . ?
C12 B11 B12 59.67(15) . . ?
C12 B11 B15 105.8(2) . . ?
C12 B11 H11 123.7 . . ?
C12 B11 B18 58.91(15) . . ?
C12 B11 B20 105.82(19) . . ?
B12 B11 B15 108.2(2) . . ?
B12 B11 H11 121.3 . . ?
B12 B11 B18 108.5(2) . . ?
B12 B11 B20 59.75(16) . . ?
B15 B11 H11 122.1 . . ?
B15 B11 B20 60.07(16) . . ?
B18 B11 B15 60.20(16) . . ?
B18 B11 H11 121.3 . . ?
B18 B11 B20 108.2(2) . . ?
B20 B11 H11 122.2 . . ?
C11 B13 B12 58.65(15) . . ?
C11 B13 H13A 125.1 . . ?
C11 B13 B14 104.36(18) . . ?
C11 B13 B19 58.65(15) . . ?
C11 B13 B20 104.13(19) . . ?
B12 B13 H13A 121.9 . . ?
B14 B13 B12 107.5(2) . . ?
B14 B13 H13A 122.4 . . ?
B14 B13 B19 60.14(16) . . ?
B14 B13 B20 60.41(17) . . ?
B19 B13 B12 108.05(19) . . ?
B19 B13 H13A 121.1 . . ?
B19 B13 B20 108.5(2) . . ?
B20 B13 B12 59.19(16) . . ?
B20 B13 H13A 122.5 . . ?
C12 B18 B17 59.46(15) . . ?
C12 B18 B15 106.08(19) . . ?
C12 B18 B16 106.11(19) . . ?
C12 B18 B11 59.01(15) . . ?
C12 B18 H18 123.7 . . ?
B17 B18 B15 108.3(2) . . ?
B17 B18 B16 59.86(16) . . ?
B17 B18 B11 108.50(19) . . ?
B17 B18 H18 121.4 . . ?
B15 B18 B16 60.35(17) . . ?
B15 B18 H18 121.8 . . ?
B16 B18 H18 121.8 . . ?
B11 B18 B15 60.51(17) . . ?
B11 B18 B16 108.9(2) . . ?
B11 B18 H18 121.1 . . ?
B15 B14 B16 60.23(17) . . ?
B15 B14 H14A 121.5 . . ?
B15 B14 B20 60.23(17) . . ?
B16 B14 H14A 121.7 . . ?
B13 B14 B15 108.2(2) . . ?
B13 B14 B16 107.97(19) . . ?
B13 B14 H14A 121.7 . . ?
B13 B14 B19 60.10(16) . . ?
B13 B14 B20 59.98(16) . . ?
B19 B14 B15 108.07(19) . . ?
B19 B14 B16 59.73(16) . . ?
B19 B14 H14A 121.8 . . ?
B19 B14 B20 108.11(19) . . ?
B20 B14 B16 108.3(2) . . ?
B20 B14 H14A 121.5 . . ?
C11 B19 B17 58.58(14) . . ?
C11 B19 B16 104.18(19) . . ?
C11 B19 B13 58.38(15) . . ?
C11 B19 B14 103.9(2) . . ?
C11 B19 H19 125.4 . . ?
B17 B19 H19 121.7 . . ?
B16 B19 B17 59.55(15) . . ?
B16 B19 B13 108.3(2) . . ?
B16 B19 B14 60.49(16) . . ?
B16 B19 H19 122.3 . . ?
B13 B19 B17 107.8(2) . . ?
B13 B19 B14 59.75(16) . . ?
B13 B19 H19 121.5 . . ?
B14 B19 B17 107.7(2) . . ?
B14 B19 H19 122.6 . . ?
B12 B20 B15 107.6(2) . . ?
B12 B20 B11 59.26(15) . . ?
B12 B20 B13 60.97(16) . . ?
B12 B20 B14 108.3(2) . . ?
B12 B20 H20 121.5 . . ?
B15 B20 H20 122.1 . . ?
B11 B20 B15 59.91(16) . . ?
B11 B20 H20 122.2 . . ?
B13 B20 B15 107.5(2) . . ?
B13 B20 B11 107.74(19) . . ?
B13 B20 B14 59.61(16) . . ?
B13 B20 H20 121.7 . . ?
B14 B20 B15 59.70(16) . . ?
B14 B20 B11 107.5(2) . . ?
B14 B20 H20 121.9 . . ?
B4 B3 H3A 121.7 . . ?
B4 B3 B2 59.48(18) . . ?
B4 B3 B8 108.5(2) . . ?
B4 B3 B10 108.1(2) . . ?
B2 B3 H3A 122.1 . . ?
B2 B3 B10 60.08(18) . . ?
B9 B3 H3A 121.3 . . ?
B9 B3 B4 60.39(18) . . ?
B9 B3 B2 108.0(2) . . ?
B9 B3 B8 60.4(2) . . ?
B9 B3 B10 108.7(2) . . ?
B8 B3 H3A 121.5 . . ?
B8 B3 B2 107.9(2) . . ?
B8 B3 B10 60.1(2) . . ?
B10 B3 H3A 121.4 . . ?
C7 B4 B5 59.33(16) . . ?
C7 B4 B3 105.4(2) . . ?
C7 B4 H4A 124.1 . . ?
C7 B4 B2 58.54(16) . . ?
C7 B4 B9 105.6(2) . . ?
B5 B4 B3 107.5(2) . . ?
B5 B4 H4A 121.7 . . ?
B5 B4 B9 59.70(17) . . ?
B3 B4 H4A 122.3 . . ?
B3 B4 B9 59.78(19) . . ?
B2 B4 B5 107.9(2) . . ?
B2 B4 B3 60.48(18) . . ?
B2 B4 H4A 121.4 . . ?
B2 B4 B9 108.3(2) . . ?
B9 B4 H4A 122.2 . . ?
C7 B2 B1 59.44(15) . . ?
C7 B2 B3 105.8(2) . . ?
C7 B2 B4 59.51(16) . . ?
C7 B2 H2A 123.7 . . ?
C7 B2 B10 105.9(2) . . ?
B1 B2 B3 108.2(2) . . ?
B1 B2 H2A 121.3 . . ?
B1 B2 B10 59.73(17) . . ?
B3 B2 H2A 122.1 . . ?
B3 B2 B10 60.41(19) . . ?
B4 B2 B1 109.0(2) . . ?
B4 B2 B3 60.05(19) . . ?
B4 B2 H2A 120.8 . . ?
B4 B2 B10 108.8(2) . . ?
B10 B2 H2A 122.0 . . ?
C6 B7 B1 58.55(15) . . ?
C6 B7 H7 125.3 . . ?
C6 B7 B6 58.57(16) . . ?
C6 B7 B8 104.0(2) . . ?
C6 B7 B10 104.1(2) . . ?
B1 B7 H7 121.7 . . ?
B6 B7 B1 108.0(2) . . ?
B6 B7 H7 121.4 . . ?
B8 B7 B1 107.9(2) . . ?
B8 B7 H7 122.4 . . ?
B8 B7 B6 59.70(18) . . ?
B8 B7 B10 60.69(18) . . ?
B10 B7 B1 59.45(16) . . ?
B10 B7 H7 122.3 . . ?
B10 B7 B6 108.4(2) . . ?
C6 B6 B5 58.57(15) . . ?
C6 B6 B7 58.38(15) . . ?
C6 B6 H6 125.3 . . ?
C6 B6 B9 104.2(2) . . ?
C6 B6 B8 104.0(2) . . ?
B5 B6 B7 107.9(2) . . ?
B5 B6 H6 121.6 . . ?
B7 B6 H6 121.4 . . ?
B9 B6 B5 59.57(17) . . ?
B9 B6 B7 108.4(2) . . ?
B9 B6 H6 122.3 . . ?
B8 B6 B5 107.9(2) . . ?
B8 B6 B7 59.89(18) . . ?
B8 B6 H6 122.4 . . ?
B8 B6 B9 60.6(2) . . ?
B5 B9 B3 107.5(2) . . ?
B5 B9 B4 59.66(16) . . ?
B5 B9 B6 60.29(16) . . ?
B5 B9 H9 121.9 . . ?
B5 B9 B8 107.6(2) . . ?
B3 B9 B4 59.83(18) . . ?
B3 B9 B6 107.6(2) . . ?
B3 B9 H9 122.0 . . ?
B3 B9 B8 60.0(2) . . ?
B4 B9 H9 121.9 . . ?
B4 B9 B8 107.7(2) . . ?
B6 B9 B4 107.9(2) . . ?
B6 B9 H9 121.8 . . ?
B6 B9 B8 59.46(18) . . ?
B8 B9 H9 122.0 . . ?
B3 B8 B9 59.6(2) . . ?
B3 B8 H8 121.9 . . ?
B3 B8 B10 60.4(2) . . ?
B7 B8 B3 108.0(2) . . ?
B7 B8 B9 108.3(2) . . ?
B7 B8 H8 121.5 . . ?
B7 B8 B10 59.84(18) . . ?
B6 B8 B3 107.6(2) . . ?
B6 B8 B7 60.41(17) . . ?
B6 B8 B9 59.97(19) . . ?
B6 B8 H8 121.7 . . ?
B6 B8 B10 108.2(2) . . ?
B9 B8 H8 121.7 . . ?
B9 B8 B10 108.2(2) . . ?
B10 B8 H8 121.5 . . ?
B1 B10 B3 107.2(2) . . ?
B1 B10 B2 59.38(16) . . ?
B1 B10 B7 60.69(16) . . ?
B1 B10 B8 107.9(2) . . ?
B1 B10 H10 121.7 . . ?
B3 B10 H10 122.5 . . ?
B2 B10 B3 59.51(18) . . ?
B2 B10 B8 107.0(2) . . ?
B2 B10 H10 122.4 . . ?
B7 B10 B3 107.0(2) . . ?
B7 B10 B2 107.4(2) . . ?
B7 B10 B8 59.47(18) . . ?
B7 B10 H10 121.9 . . ?
B8 B10 B3 59.48(19) . . ?
B8 B10 H10 122.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cu2 O3 C8 O2 6.6(5) . . . . ?
Cu2 O3 C8 C9 -173.8(3) . . . . ?
Cu2 N2 C10 C11 -0.4(3) . . . . ?
Cu2 N2 C10 C13 180.0(2) . . . . ?
Cu2 N2 C16 C15 -179.4(2) . . . . ?
Cu2 C12 C11 C10 0.1(2) . . . . ?
Cu2 C12 C11 B17 -107.05(17) . . . . ?
Cu2 C12 C11 B12 107.02(17) . . . . ?
Cu2 C12 C11 B13 145.61(16) . . . . ?
Cu2 C12 C11 B19 -145.20(17) . . . . ?
Cu2 C12 B17 C11 99.26(16) . . . . ?
Cu2 C12 B17 B16 -163.76(15) . . . . ?
Cu2 C12 B17 B18 -124.41(18) . . . . ?
Cu2 C12 B17 B19 133.59(16) . . . . ?
Cu2 C12 B12 C11 -99.35(16) . . . . ?
Cu2 C12 B12 B11 124.05(19) . . . . ?
Cu2 C12 B12 B13 -133.48(16) . . . . ?
Cu2 C12 B12 B20 164.15(17) . . . . ?
Cu2 C12 B11 B12 -97.9(2) . . . . ?
Cu2 C12 B11 B15 159.95(17) . . . . ?
Cu2 C12 B11 B18 120.6(2) . . . . ?
Cu2 C12 B11 B20 -137.36(19) . . . . ?
Cu2 C12 B18 B17 98.1(2) . . . . ?
Cu2 C12 B18 B15 -159.77(19) . . . . ?
Cu2 C12 B18 B16 137.14(19) . . . . ?
Cu2 C12 B18 B11 -120.2(2) . . . . ?
Cu1 O2 C8 O3 5.5(5) . . . . ?
Cu1 O2 C8 C9 -174.1(3) . . . . ?
Cu1 N1 C5 C6 7.9(3) . . . . ?
Cu1 N1 C5 C4 -172.1(2) . . . . ?
Cu1 N1 C1 C2 172.1(2) . . . . ?
Cu1 C7 B1 C6 98.17(18) . . . . ?
Cu1 C7 B1 B2 -125.57(19) . . . . ?
Cu1 C7 B1 B7 132.37(17) . . . . ?
Cu1 C7 B1 B10 -165.23(16) . . . . ?
Cu1 C7 B5 C6 -100.43(17) . . . . ?
Cu1 C7 B5 B4 122.6(2) . . . . ?
Cu1 C7 B5 B6 -134.82(17) . . . . ?
Cu1 C7 B5 B9 162.40(18) . . . . ?
Cu1 C7 B4 B5 -95.7(2) . . . . ?
Cu1 C7 B4 B3 162.80(18) . . . . ?
Cu1 C7 B4 B2 122.9(2) . . . . ?
Cu1 C7 B4 B9 -134.9(2) . . . . ?
Cu1 C7 B2 B1 100.9(2) . . . . ?
Cu1 C7 B2 B3 -156.9(2) . . . . ?
Cu1 C7 B2 B4 -117.2(3) . . . . ?
Cu1 C7 B2 B10 140.0(2) . . . . ?
O2 Cu1 O1 Cu2 -2.75(17) . . . . ?
O3 Cu2 O1 Cu1 8.06(17) . . . . ?
N1 C5 C4 C3 -0.2(4) . . . . ?
N2 Cu2 O1 Cu1 -79.9(4) . . . . ?
N2 C10 C11 C12 0.2(3) . . . . ?
N2 C10 C11 B17 68.5(3) . . . . ?
N2 C10 C11 B12 -68.1(3) . . . . ?
N2 C10 C11 B13 -141.6(2) . . . . ?
N2 C10 C11 B19 141.5(2) . . . . ?
N2 C10 C13 C14 -1.1(4) . . . . ?
N2 C16 C15 C14 0.1(5) . . . . ?
C10 N2 C16 C15 -0.1(4) . . . . ?
C10 C11 B17 C12 -103.8(2) . . . . ?
C10 C11 B17 B16 156.0(2) . . . . ?
C10 C11 B17 B18 -141.3(2) . . . . ?
C10 C11 B17 B19 115.8(2) . . . . ?
C10 C11 B12 C12 103.9(2) . . . . ?
C10 C11 B12 B11 141.2(2) . . . . ?
C10 C11 B12 B13 -115.9(2) . . . . ?
C10 C11 B12 B20 -155.7(2) . . . . ?
C10 C11 B13 B12 103.9(2) . . . . ?
C10 C11 B13 B14 -154.1(2) . . . . ?
C10 C11 B13 B19 -113.4(3) . . . . ?
C10 C11 B13 B20 143.4(2) . . . . ?
C10 C11 B19 B17 -103.8(2) . . . . ?
C10 C11 B19 B16 -143.7(2) . . . . ?
C10 C11 B19 B13 113.3(2) . . . . ?
C10 C11 B19 B14 153.7(2) . . . . ?
C10 C13 C14 C15 1.0(4) . . . . ?
C6 C5 C4 C3 179.8(2) . . . . ?
C6 C7 B1 B2 136.3(2) . . . . ?
C6 C7 B1 B7 34.20(18) . . . . ?
C6 C7 B1 B10 96.6(2) . . . . ?
C6 C7 B5 B4 -137.0(2) . . . . ?
C6 C7 B5 B6 -34.39(17) . . . . ?
C6 C7 B5 B9 -97.2(2) . . . . ?
C6 C7 B4 B5 39.1(2) . . . . ?
C6 C7 B4 B3 -62.4(2) . . . . ?
C6 C7 B4 B2 -102.3(2) . . . . ?
C6 C7 B4 B9 -0.1(3) . . . . ?
C6 C7 B2 B1 -39.91(19) . . . . ?
C6 C7 B2 B3 62.2(3) . . . . ?
C6 C7 B2 B4 102.0(2) . . . . ?
C6 C7 B2 B10 -0.8(3) . . . . ?
C6 B1 B2 C7 36.71(16) . . . . ?
C6 B1 B2 B3 -61.2(3) . . . . ?
C6 B1 B2 B4 2.5(2) . . . . ?
C6 B1 B2 B10 -98.7(2) . . . . ?
C6 B1 B7 B6 32.75(19) . . . . ?
C6 B1 B7 B8 95.8(2) . . . . ?
C6 B1 B7 B10 133.9(2) . . . . ?
C6 B1 B10 B3 61.1(2) . . . . ?
C6 B1 B10 B2 97.9(2) . . . . ?
C6 B1 B10 B7 -39.1(2) . . . . ?
C6 B1 B10 B8 -1.6(3) . . . . ?
C6 B5 B4 C7 -36.30(17) . . . . ?
C6 B5 B4 B3 61.5(3) . . . . ?
C6 B5 B4 B2 -2.3(3) . . . . ?
C6 B5 B4 B9 98.9(2) . . . . ?
C6 B5 B6 B7 -32.55(19) . . . . ?
C6 B5 B6 B9 -133.8(2) . . . . ?
C6 B5 B6 B8 -95.8(2) . . . . ?
C6 B5 B9 B3 -61.1(3) . . . . ?
C6 B5 B9 B4 -98.5(2) . . . . ?
C6 B5 B9 B6 39.52(19) . . . . ?
C6 B5 B9 B8 2.1(3) . . . . ?
C6 B7 B6 B5 32.63(19) . . . . ?
C6 B7 B6 B9 95.6(2) . . . . ?
C6 B7 B6 B8 133.3(2) . . . . ?
C6 B7 B8 B3 60.7(3) . . . . ?
C6 B7 B8 B6 -39.76(18) . . . . ?
C6 B7 B8 B9 -2.3(3) . . . . ?
C6 B7 B8 B10 98.5(2) . . . . ?
C6 B7 B10 B1 39.35(19) . . . . ?
C6 B7 B10 B3 -61.2(2) . . . . ?
C6 B7 B10 B2 1.4(3) . . . . ?
C6 B7 B10 B8 -98.4(2) . . . . ?
C6 B6 B9 B5 -39.46(19) . . . . ?
C6 B6 B9 B3 61.0(3) . . . . ?
C6 B6 B9 B4 -2.1(3) . . . . ?
C6 B6 B9 B8 98.3(2) . . . . ?
C6 B6 B8 B3 -61.4(3) . . . . ?
C6 B6 B8 B7 39.67(19) . . . . ?
C6 B6 B8 B9 -98.5(2) . . . . ?
C6 B6 B8 B10 2.4(3) . . . . ?
C12 Cu2 O1 Cu1 178.07(16) . . . . ?
C12 C11 B17 B16 -100.2(2) . . . . ?
C12 C11 B17 B18 -37.46(16) . . . . ?
C12 C11 B17 B19 -140.4(2) . . . . ?
C12 C11 B12 B11 37.33(17) . . . . ?
C12 C11 B12 B13 140.19(18) . . . . ?
C12 C11 B12 B20 100.42(19) . . . . ?
C12 C11 B13 B12 -37.81(18) . . . . ?
C12 C11 B13 B14 64.2(2) . . . . ?
C12 C11 B13 B19 104.9(2) . . . . ?
C12 C11 B13 B20 1.7(2) . . . . ?
C12 C11 B19 B17 37.58(19) . . . . ?
C12 C11 B19 B16 -2.3(3) . . . . ?
C12 C11 B19 B13 -105.3(2) . . . . ?
C12 C11 B19 B14 -64.9(2) . . . . ?
C12 B17 B16 B15 1.5(2) . . . . ?
C12 B17 B16 B18 38.46(18) . . . . ?
C12 B17 B16 B14 -61.3(2) . . . . ?
C12 B17 B16 B19 -99.1(2) . . . . ?
C12 B17 B18 B15 -98.3(2) . . . . ?
C12 B17 B18 B16 -135.6(2) . . . . ?
C12 B17 B18 B11 -34.11(18) . . . . ?
C12 B17 B19 C11 -33.98(17) . . . . ?
C12 B17 B19 B16 99.8(2) . . . . ?
C12 B17 B19 B13 -1.3(2) . . . . ?
C12 B17 B19 B14 61.8(2) . . . . ?
C12 B12 B11 B15 98.0(2) . . . . ?
C12 B12 B11 B18 34.23(18) . . . . ?
C12 B12 B11 B20 135.0(2) . . . . ?
C12 B12 B13 C11 33.92(16) . . . . ?
C12 B12 B13 B14 -62.5(2) . . . . ?
C12 B12 B13 B19 1.0(2) . . . . ?
C12 B12 B13 B20 -100.19(19) . . . . ?
C12 B12 B20 B15 -2.3(3) . . . . ?
C12 B12 B20 B11 -39.07(19) . . . . ?
C12 B12 B20 B13 98.3(2) . . . . ?
C12 B12 B20 B14 60.8(2) . . . . ?
C12 B11 B18 B17 34.30(18) . . . . ?
C12 B11 B18 B15 135.3(2) . . . . ?
C12 B11 B18 B16 97.9(2) . . . . ?
C12 B11 B20 B12 39.39(18) . . . . ?
C12 B11 B20 B15 -99.4(2) . . . . ?
C12 B11 B20 B13 0.9(3) . . . . ?
C12 B11 B20 B14 -61.9(2) . . . . ?
C5 N1 C1 C2 -1.2(5) . . . . ?
C5 C6 C7 Cu1 -3.2(2) . . . . ?
C5 C6 C7 B1 106.7(2) . . . . ?
C5 C6 C7 B5 -107.4(2) . . . . ?
C5 C6 C7 B4 -146.9(2) . . . . ?
C5 C6 C7 B2 147.0(2) . . . . ?
C5 C6 B1 C7 -104.4(2) . . . . ?
C5 C6 B1 B2 -141.8(2) . . . . ?
C5 C6 B1 B7 115.3(2) . . . . ?
C5 C6 B1 B10 155.3(2) . . . . ?
C5 C6 B5 C7 104.3(2) . . . . ?
C5 C6 B5 B4 141.5(2) . . . . ?
C5 C6 B5 B6 -115.3(2) . . . . ?
C5 C6 B5 B9 -155.7(2) . . . . ?
C5 C6 B7 B1 -103.9(3) . . . . ?
C5 C6 B7 B6 113.2(3) . . . . ?
C5 C6 B7 B8 153.6(2) . . . . ?
C5 C6 B7 B10 -143.7(2) . . . . ?
C5 C6 B6 B5 104.2(2) . . . . ?
C5 C6 B6 B7 -112.8(3) . . . . ?
C5 C6 B6 B9 144.1(2) . . . . ?
C5 C6 B6 B8 -153.2(2) . . . . ?
C11 C10 C13 C14 179.3(2) . . . . ?
C11 C12 B17 B16 96.97(19) . . . . ?
C11 C12 B17 B18 136.33(19) . . . . ?
C11 C12 B17 B19 34.32(17) . . . . ?
C11 C12 B12 B11 -136.59(19) . . . . ?
C11 C12 B12 B13 -34.12(16) . . . . ?
C11 C12 B12 B20 -96.5(2) . . . . ?
C11 C12 B11 B12 39.49(18) . . . . ?
C11 C12 B11 B15 -62.6(2) . . . . ?
C11 C12 B11 B18 -102.0(2) . . . . ?
C11 C12 B11 B20 0.1(2) . . . . ?
C11 C12 B18 B17 -39.63(18) . . . . ?
C11 C12 B18 B15 62.5(2) . . . . ?
C11 C12 B18 B16 -0.6(3) . . . . ?
C11 C12 B18 B11 102.0(2) . . . . ?
C11 B17 B16 B15 61.3(2) . . . . ?
C11 B17 B16 B18 98.2(2) . . . . ?
C11 B17 B16 B14 -1.5(3) . . . . ?
C11 B17 B16 B19 -39.34(18) . . . . ?
C11 B17 B18 C12 36.89(16) . . . . ?
C11 B17 B18 B15 -61.4(2) . . . . ?
C11 B17 B18 B16 -98.8(2) . . . . ?
C11 B17 B18 B11 2.8(2) . . . . ?
C11 B17 B19 B16 133.8(2) . . . . ?
C11 B17 B19 B13 32.65(17) . . . . ?
C11 B17 B19 B14 95.7(2) . . . . ?
C11 B12 B11 C12 -36.63(17) . . . . ?
C11 B12 B11 B15 61.4(2) . . . . ?
C11 B12 B11 B18 -2.4(3) . . . . ?
C11 B12 B11 B20 98.4(2) . . . . ?
C11 B12 B13 B14 -96.4(2) . . . . ?
C11 B12 B13 B19 -32.93(17) . . . . ?
C11 B12 B13 B20 -134.11(19) . . . . ?
C11 B12 B20 B15 -61.9(2) . . . . ?
C11 B12 B20 B11 -98.6(2) . . . . ?
C11 B12 B20 B13 38.76(17) . . . . ?
C11 B12 B20 B14 1.2(2) . . . . ?
C11 B13 B14 B15 -60.8(3) . . . . ?
C11 B13 B14 B16 2.9(3) . . . . ?
C11 B13 B14 B19 39.98(18) . . . . ?
C11 B13 B14 B20 -98.3(2) . . . . ?
C11 B13 B19 B17 -32.73(17) . . . . ?
C11 B13 B19 B16 -95.7(2) . . . . ?
C11 B13 B19 B14 -133.2(2) . . . . ?
C11 B13 B20 B12 -39.22(17) . . . . ?
C11 B13 B20 B15 61.6(2) . . . . ?
C11 B13 B20 B11 -1.5(3) . . . . ?
C11 B13 B20 B14 98.7(2) . . . . ?
C7 Cu1 O1 Cu2 167.74(16) . . . . ?
C7 C6 C5 N1 -3.0(3) . . . . ?
C7 C6 C5 C4 177.0(2) . . . . ?
C7 C6 B1 B2 -37.36(17) . . . . ?
C7 C6 B1 B7 -140.3(2) . . . . ?
C7 C6 B1 B10 -100.3(2) . . . . ?
C7 C6 B5 B4 37.18(18) . . . . ?
C7 C6 B5 B6 140.3(2) . . . . ?
C7 C6 B5 B9 100.0(2) . . . . ?
C7 C6 B7 B1 37.8(2) . . . . ?
C7 C6 B7 B6 -105.1(2) . . . . ?
C7 C6 B7 B8 -64.8(3) . . . . ?
C7 C6 B7 B10 -2.0(3) . . . . ?
C7 C6 B6 B5 -37.8(2) . . . . ?
C7 C6 B6 B7 105.2(2) . . . . ?
C7 C6 B6 B9 2.2(3) . . . . ?
C7 C6 B6 B8 64.8(3) . . . . ?
C7 B1 B2 B3 -98.0(2) . . . . ?
C7 B1 B2 B4 -34.22(19) . . . . ?
C7 B1 B2 B10 -135.4(2) . . . . ?
C7 B1 B7 C6 -33.83(18) . . . . ?
C7 B1 B7 B6 -1.1(3) . . . . ?
C7 B1 B7 B8 62.0(3) . . . . ?
C7 B1 B7 B10 100.0(2) . . . . ?
C7 B1 B10 B3 1.7(3) . . . . ?
C7 B1 B10 B2 38.55(19) . . . . ?
C7 B1 B10 B7 -98.5(2) . . . . ?
C7 B1 B10 B8 -61.0(3) . . . . ?
C7 B5 B4 B3 97.8(2) . . . . ?
C7 B5 B4 B2 34.02(18) . . . . ?
C7 B5 B4 B9 135.2(2) . . . . ?
C7 B5 B6 C6 33.82(17) . . . . ?
C7 B5 B6 B7 1.3(3) . . . . ?
C7 B5 B6 B9 -99.9(2) . . . . ?
C7 B5 B6 B8 -62.0(3) . . . . ?
C7 B5 B9 B3 -1.7(3) . . . . ?
C7 B5 B9 B4 -39.0(2) . . . . ?
C7 B5 B9 B6 99.0(2) . . . . ?
C7 B5 B9 B8 61.6(3) . . . . ?
C7 B4 B2 B1 34.19(18) . . . . ?
C7 B4 B2 B3 134.7(2) . . . . ?
C7 B4 B2 B10 97.7(2) . . . . ?
C7 B4 B9 B5 39.0(2) . . . . ?
C7 B4 B9 B3 -99.0(2) . . . . ?
C7 B4 B9 B6 1.4(3) . . . . ?
C7 B4 B9 B8 -61.4(3) . . . . ?
C7 B2 B10 B1 -38.94(19) . . . . ?
C7 B2 B10 B3 99.4(2) . . . . ?
C7 B2 B10 B7 -0.4(3) . . . . ?
C7 B2 B10 B8 62.2(3) . . . . ?
C13 C10 C11 C12 179.8(2) . . . . ?
C13 C10 C11 B17 -111.9(3) . . . . ?
C13 C10 C11 B12 111.6(3) . . . . ?
C13 C10 C11 B13 38.1(4) . . . . ?
C13 C10 C11 B19 -38.8(4) . . . . ?
C13 C14 C15 C16 -0.5(4) . . . . ?
C3 C2 C1 N1 -1.0(5) . . . . ?
C4 C3 C2 C1 2.6(5) . . . . ?
C16 N2 C10 C11 -179.7(2) . . . . ?
C16 N2 C10 C13 0.6(4) . . . . ?
C2 C3 C4 C5 -2.0(4) . . . . ?
C1 N1 C5 C6 -178.2(2) . . . . ?
C1 N1 C5 C4 1.8(4) . . . . ?
B17 C12 C11 C10 107.1(2) . . . . ?
B17 C12 C11 B12 -145.93(19) . . . . ?
B17 C12 C11 B13 -107.3(2) . . . . ?
B17 C12 C11 B19 -38.15(19) . . . . ?
B17 C12 B12 C11 32.19(17) . . . . ?
B17 C12 B12 B11 -104.4(2) . . . . ?
B17 C12 B12 B13 -1.9(2) . . . . ?
B17 C12 B12 B20 -64.3(2) . . . . ?
B17 C12 B11 B12 105.0(2) . . . . ?
B17 C12 B11 B15 2.9(3) . . . . ?
B17 C12 B11 B18 -36.43(19) . . . . ?
B17 C12 B11 B20 65.6(2) . . . . ?
B17 C12 B18 B15 102.1(2) . . . . ?
B17 C12 B18 B16 39.00(19) . . . . ?
B17 C12 B18 B11 141.7(2) . . . . ?
B17 C11 B12 C12 -32.86(18) . . . . ?
B17 C11 B12 B11 4.5(3) . . . . ?
B17 C11 B12 B13 107.3(2) . . . . ?
B17 C11 B12 B20 67.6(2) . . . . ?
B17 C11 B13 B12 -106.2(2) . . . . ?
B17 C11 B13 B14 -4.2(3) . . . . ?
B17 C11 B13 B19 36.5(2) . . . . ?
B17 C11 B13 B20 -66.7(3) . . . . ?
B17 C11 B19 B16 -39.92(19) . . . . ?
B17 C11 B19 B13 -142.9(2) . . . . ?
B17 C11 B19 B14 -102.5(2) . . . . ?
B17 B16 B18 C12 -38.81(18) . . . . ?
B17 B16 B18 B15 -138.4(2) . . . . ?
B17 B16 B18 B11 -100.9(2) . . . . ?
B17 B16 B14 B15 100.3(2) . . . . ?
B17 B16 B14 B13 -0.8(3) . . . . ?
B17 B16 B14 B19 -38.10(19) . . . . ?
B17 B16 B14 B20 62.6(3) . . . . ?
B17 B16 B19 C11 39.44(18) . . . . ?
B17 B16 B19 B13 100.4(2) . . . . ?
B17 B16 B19 B14 137.5(2) . . . . ?
B12 C12 C11 C10 -106.9(2) . . . . ?
B12 C12 C11 B17 145.93(19) . . . . ?
B12 C12 C11 B13 38.58(19) . . . . ?
B12 C12 C11 B19 107.8(2) . . . . ?
B12 C12 B17 C11 -32.25(17) . . . . ?
B12 C12 B17 B16 64.7(2) . . . . ?
B12 C12 B17 B18 104.1(2) . . . . ?
B12 C12 B17 B19 2.1(2) . . . . ?
B12 C12 B11 B15 -102.1(2) . . . . ?
B12 C12 B11 B18 -141.5(2) . . . . ?
B12 C12 B11 B20 -39.43(18) . . . . ?
B12 C12 B18 B17 -105.3(2) . . . . ?
B12 C12 B18 B15 -3.2(3) . . . . ?
B12 C12 B18 B16 -66.3(3) . . . . ?
B12 C12 B18 B11 36.4(2) . . . . ?
B12 C11 B17 C12 32.85(18) . . . . ?
B12 C11 B17 B16 -67.3(2) . . . . ?
B12 C11 B17 B18 -4.6(2) . . . . ?
B12 C11 B17 B19 -107.5(2) . . . . ?
B12 C11 B13 B14 102.0(2) . . . . ?
B12 C11 B13 B19 142.75(19) . . . . ?
B12 C11 B13 B20 39.48(18) . . . . ?
B12 C11 B19 B17 106.0(2) . . . . ?
B12 C11 B19 B16 66.0(2) . . . . ?
B12 C11 B19 B13 -36.95(19) . . . . ?
B12 C11 B19 B14 3.5(3) . . . . ?
B12 B11 B18 C12 -34.54(18) . . . . ?
B12 B11 B18 B17 -0.2(3) . . . . ?
B12 B11 B18 B15 100.8(2) . . . . ?
B12 B11 B18 B16 63.3(2) . . . . ?
B12 B11 B20 B15 -138.8(2) . . . . ?
B12 B11 B20 B13 -38.44(19) . . . . ?
B12 B11 B20 B14 -101.3(2) . . . . ?
B12 B13 B14 B15 0.3(3) . . . . ?
B12 B13 B14 B16 64.1(3) . . . . ?
B12 B13 B14 B19 101.1(2) . . . . ?
B12 B13 B14 B20 -37.13(19) . . . . ?
B12 B13 B19 C11 32.94(17) . . . . ?
B12 B13 B19 B17 0.2(2) . . . . ?
B12 B13 B19 B16 -62.8(2) . . . . ?
B12 B13 B19 B14 -100.3(2) . . . . ?
B12 B13 B20 B15 100.9(2) . . . . ?
B12 B13 B20 B11 37.68(19) . . . . ?
B12 B13 B20 B14 137.9(2) . . . . ?
B1 C6 C5 N1 65.4(3) . . . . ?
B1 C6 C5 C4 -114.6(3) . . . . ?
B1 C6 C7 Cu1 -109.86(18) . . . . ?
B1 C6 C7 B5 145.9(2) . . . . ?
B1 C6 C7 B4 106.4(2) . . . . ?
B1 C6 C7 B2 40.3(2) . . . . ?
B1 C6 B5 C7 -33.00(19) . . . . ?
B1 C6 B5 B4 4.2(3) . . . . ?
B1 C6 B5 B6 107.4(2) . . . . ?
B1 C6 B5 B9 67.0(2) . . . . ?
B1 C6 B7 B6 -142.9(2) . . . . ?
B1 C6 B7 B8 -102.6(2) . . . . ?
B1 C6 B7 B10 -39.8(2) . . . . ?
B1 C6 B6 B5 -106.3(2) . . . . ?
B1 C6 B6 B7 36.7(2) . . . . ?
B1 C6 B6 B9 -66.3(3) . . . . ?
B1 C6 B6 B8 -3.7(3) . . . . ?
B1 C7 B5 C6 32.32(19) . . . . ?
B1 C7 B5 B4 -104.6(2) . . . . ?
B1 C7 B5 B6 -2.1(3) . . . . ?
B1 C7 B5 B9 -64.9(3) . . . . ?
B1 C7 B4 B5 105.1(2) . . . . ?
B1 C7 B4 B3 3.6(3) . . . . ?
B1 C7 B4 B2 -36.3(2) . . . . ?
B1 C7 B4 B9 65.8(3) . . . . ?
B1 C7 B2 B3 102.1(2) . . . . ?
B1 C7 B2 B4 141.9(2) . . . . ?
B1 C7 B2 B10 39.1(2) . . . . ?
B1 B2 B10 B3 138.4(2) . . . . ?
B1 B2 B10 B7 38.5(2) . . . . ?
B1 B2 B10 B8 101.1(2) . . . . ?
B1 B7 B6 C6 -32.74(18) . . . . ?
B1 B7 B6 B5 -0.1(3) . . . . ?
B1 B7 B6 B9 62.9(3) . . . . ?
B1 B7 B6 B8 100.6(2) . . . . ?
B1 B7 B8 B3 -0.3(3) . . . . ?
B1 B7 B8 B6 -100.8(2) . . . . ?
B1 B7 B8 B9 -63.4(3) . . . . ?
B1 B7 B8 B10 37.5(2) . . . . ?
B1 B7 B10 B3 -100.6(2) . . . . ?
B1 B7 B10 B2 -38.0(2) . . . . ?
B1 B7 B10 B8 -137.7(2) . . . . ?
B15 B16 B18 C12 99.6(2) . . . . ?
B15 B16 B18 B17 138.4(2) . . . . ?
B15 B16 B18 B11 37.53(18) . . . . ?
B15 B16 B14 B13 -101.1(2) . . . . ?
B15 B16 B14 B19 -138.4(2) . . . . ?
B15 B16 B14 B20 -37.65(18) . . . . ?
B15 B16 B19 C11 -61.2(2) . . . . ?
B15 B16 B19 B17 -100.6(2) . . . . ?
B15 B16 B19 B13 -0.3(3) . . . . ?
B15 B16 B19 B14 36.92(19) . . . . ?
B15 B11 B18 C12 -135.3(2) . . . . ?
B15 B11 B18 B17 -101.0(2) . . . . ?
B15 B11 B18 B16 -37.46(19) . . . . ?
B15 B11 B20 B12 138.8(2) . . . . ?
B15 B11 B20 B13 100.3(2) . . . . ?
B15 B11 B20 B14 37.46(18) . . . . ?
B15 B14 B19 C11 61.3(2) . . . . ?
B15 B14 B19 B17 0.3(3) . . . . ?
B15 B14 B19 B16 -37.33(19) . . . . ?
B15 B14 B19 B13 101.0(2) . . . . ?
B15 B14 B20 B12 -100.1(2) . . . . ?
B15 B14 B20 B11 -37.55(18) . . . . ?
B15 B14 B20 B13 -138.3(2) . . . . ?
B5 C6 C5 N1 -72.0(3) . . . . ?
B5 C6 C5 C4 108.1(3) . . . . ?
B5 C6 C7 Cu1 104.23(18) . . . . ?
B5 C6 C7 B1 -145.9(2) . . . . ?
B5 C6 C7 B4 -39.5(2) . . . . ?
B5 C6 C7 B2 -105.6(2) . . . . ?
B5 C6 B1 C7 33.12(19) . . . . ?
B5 C6 B1 B2 -4.2(3) . . . . ?
B5 C6 B1 B7 -107.1(2) . . . . ?
B5 C6 B1 B10 -67.1(3) . . . . ?
B5 C6 B7 B1 106.6(2) . . . . ?
B5 C6 B7 B6 -36.3(2) . . . . ?
B5 C6 B7 B8 4.0(3) . . . . ?
B5 C6 B7 B10 66.8(3) . . . . ?
B5 C6 B6 B7 143.0(2) . . . . ?
B5 C6 B6 B9 40.0(2) . . . . ?
B5 C6 B6 B8 102.6(2) . . . . ?
B5 C7 B1 C6 -32.21(19) . . . . ?
B5 C7 B1 B2 104.1(2) . . . . ?
B5 C7 B1 B7 2.0(3) . . . . ?
B5 C7 B1 B10 64.4(2) . . . . ?
B5 C7 B4 B3 -101.5(2) . . . . ?
B5 C7 B4 B2 -141.4(2) . . . . ?
B5 C7 B4 B9 -39.2(2) . . . . ?
B5 C7 B2 B1 -105.4(2) . . . . ?
B5 C7 B2 B3 -3.3(3) . . . . ?
B5 C7 B2 B4 36.5(2) . . . . ?
B5 C7 B2 B10 -66.4(3) . . . . ?
B5 B4 B2 C7 -34.34(19) . . . . ?
B5 B4 B2 B1 -0.1(3) . . . . ?
B5 B4 B2 B3 100.4(2) . . . . ?
B5 B4 B2 B10 63.4(3) . . . . ?
B5 B4 B9 B3 -138.0(2) . . . . ?
B5 B4 B9 B6 -37.6(2) . . . . ?
B5 B4 B9 B8 -100.4(2) . . . . ?
B5 B6 B9 B3 100.5(2) . . . . ?
B5 B6 B9 B4 37.4(2) . . . . ?
B5 B6 B9 B8 137.8(2) . . . . ?
B5 B6 B8 B3 -0.4(3) . . . . ?
B5 B6 B8 B7 100.7(2) . . . . ?
B5 B6 B8 B9 -37.5(2) . . . . ?
B5 B6 B8 B10 63.4(3) . . . . ?
B5 B9 B8 B3 -100.4(2) . . . . ?
B5 B9 B8 B7 0.1(3) . . . . ?
B5 B9 B8 B6 37.74(19) . . . . ?
B5 B9 B8 B10 -63.3(3) . . . . ?
B16 B17 B18 C12 135.6(2) . . . . ?
B16 B17 B18 B15 37.39(19) . . . . ?
B16 B17 B18 B11 101.5(2) . . . . ?
B16 B17 B19 C11 -133.8(2) . . . . ?
B16 B17 B19 B13 -101.2(2) . . . . ?
B16 B17 B19 B14 -38.08(19) . . . . ?
B16 B15 B11 C12 -1.8(3) . . . . ?
B16 B15 B11 B12 -64.4(3) . . . . ?
B16 B15 B11 B18 36.93(19) . . . . ?
B16 B15 B11 B20 -101.3(2) . . . . ?
B16 B15 B18 C12 -99.7(2) . . . . ?
B16 B15 B18 B17 -37.17(18) . . . . ?
B16 B15 B18 B11 -138.5(2) . . . . ?
B16 B15 B14 B13 100.7(2) . . . . ?
B16 B15 B14 B19 37.12(18) . . . . ?
B16 B15 B14 B20 138.08(19) . . . . ?
B16 B15 B20 B12 63.7(3) . . . . ?
B16 B15 B20 B11 100.2(2) . . . . ?
B16 B15 B20 B13 -0.6(3) . . . . ?
B16 B15 B20 B14 -37.61(18) . . . . ?
B16 B14 B19 C11 98.6(2) . . . . ?
B16 B14 B19 B17 37.66(19) . . . . ?
B16 B14 B19 B13 138.4(2) . . . . ?
B16 B14 B20 B12 -62.5(2) . . . . ?
B16 B14 B20 B15 37.65(18) . . . . ?
B16 B14 B20 B11 0.1(2) . . . . ?
B16 B14 B20 B13 -100.6(2) . . . . ?
B11 C12 C11 C10 -146.7(2) . . . . ?
B11 C12 C11 B17 106.2(2) . . . . ?
B11 C12 C11 B12 -39.71(18) . . . . ?
B11 C12 C11 B13 -1.1(3) . . . . ?
B11 C12 C11 B19 68.1(2) . . . . ?
B11 C12 B17 C11 -99.8(2) . . . . ?
B11 C12 B17 B16 -2.8(3) . . . . ?
B11 C12 B17 B18 36.53(19) . . . . ?
B11 C12 B17 B19 -65.5(2) . . . . ?
B11 C12 B12 C11 136.59(19) . . . . ?
B11 C12 B12 B13 102.5(2) . . . . ?
B11 C12 B12 B20 40.09(19) . . . . ?
B11 C12 B18 B17 -141.7(2) . . . . ?
B11 C12 B18 B15 -39.6(2) . . . . ?
B11 C12 B18 B16 -102.7(2) . . . . ?
B11 B12 B13 C11 95.5(2) . . . . ?
B11 B12 B13 B14 -0.9(3) . . . . ?
B11 B12 B13 B19 62.6(2) . . . . ?
B11 B12 B13 B20 -38.58(19) . . . . ?
B11 B12 B20 B15 36.8(2) . . . . ?
B11 B12 B20 B13 137.4(2) . . . . ?
B11 B12 B20 B14 99.9(2) . . . . ?
B11 B15 B16 B17 0.2(3) . . . . ?
B11 B15 B16 B18 -36.66(18) . . . . ?
B11 B15 B16 B14 100.9(2) . . . . ?
B11 B15 B16 B19 63.9(2) . . . . ?
B11 B15 B18 C12 38.85(19) . . . . ?
B11 B15 B18 B17 101.4(2) . . . . ?
B11 B15 B18 B16 138.5(2) . . . . ?
B11 B15 B14 B16 -100.4(2) . . . . ?
B11 B15 B14 B13 0.3(3) . . . . ?
B11 B15 B14 B19 -63.3(3) . . . . ?
B11 B15 B14 B20 37.70(19) . . . . ?
B11 B15 B20 B12 -36.5(2) . . . . ?
B11 B15 B20 B13 -100.8(2) . . . . ?
B11 B15 B20 B14 -137.8(2) . . . . ?
B13 C11 B17 C12 103.9(2) . . . . ?
B13 C11 B17 B16 3.7(3) . . . . ?
B13 C11 B17 B18 66.4(2) . . . . ?
B13 C11 B17 B19 -36.5(2) . . . . ?
B13 C11 B12 C12 -140.19(18) . . . . ?
B13 C11 B12 B11 -102.9(2) . . . . ?
B13 C11 B12 B20 -39.78(18) . . . . ?
B13 C11 B19 B17 142.9(2) . . . . ?
B13 C11 B19 B16 103.0(2) . . . . ?
B13 C11 B19 B14 40.43(18) . . . . ?
B13 B12 B11 C12 -96.9(2) . . . . ?
B13 B12 B11 B15 1.1(3) . . . . ?
B13 B12 B11 B18 -62.7(2) . . . . ?
B13 B12 B11 B20 38.07(19) . . . . ?
B13 B12 B20 B15 -100.6(2) . . . . ?
B13 B12 B20 B11 -137.4(2) . . . . ?
B13 B12 B20 B14 -37.51(19) . . . . ?
B13 B14 B19 C11 -39.73(17) . . . . ?
B13 B14 B19 B17 -100.7(2) . . . . ?
B13 B14 B19 B16 -138.4(2) . . . . ?
B13 B14 B20 B12 38.11(18) . . . . ?
B13 B14 B20 B15 138.3(2) . . . . ?
B13 B14 B20 B11 100.7(2) . . . . ?
B18 C12 C11 C10 147.2(2) . . . . ?
B18 C12 C11 B17 40.09(18) . . . . ?
B18 C12 C11 B12 -105.8(2) . . . . ?
B18 C12 C11 B13 -67.3(2) . . . . ?
B18 C12 C11 B19 1.9(3) . . . . ?
B18 C12 B17 C11 -136.33(19) . . . . ?
B18 C12 B17 B16 -39.35(18) . . . . ?
B18 C12 B17 B19 -102.0(2) . . . . ?
B18 C12 B12 C11 100.0(2) . . . . ?
B18 C12 B12 B11 -36.6(2) . . . . ?
B18 C12 B12 B13 65.9(2) . . . . ?
B18 C12 B12 B20 3.5(3) . . . . ?
B18 C12 B11 B12 141.5(2) . . . . ?
B18 C12 B11 B15 39.35(19) . . . . ?
B18 C12 B11 B20 102.0(2) . . . . ?
B18 B17 B16 B15 -36.94(19) . . . . ?
B18 B17 B16 B14 -99.8(2) . . . . ?
B18 B17 B16 B19 -137.6(2) . . . . ?
B18 B17 B19 C11 -95.6(2) . . . . ?
B18 B17 B19 B16 38.2(2) . . . . ?
B18 B17 B19 B13 -62.9(2) . . . . ?
B18 B17 B19 B14 0.1(3) . . . . ?
B18 B15 B16 B17 36.84(18) . . . . ?
B18 B15 B16 B14 137.60(19) . . . . ?
B18 B15 B16 B19 100.6(2) . . . . ?
B18 B15 B11 C12 -38.74(18) . . . . ?
B18 B15 B11 B12 -101.4(2) . . . . ?
B18 B15 B11 B20 -138.2(2) . . . . ?
B18 B15 B14 B16 -37.78(19) . . . . ?
B18 B15 B14 B13 62.9(3) . . . . ?
B18 B15 B14 B19 -0.7(3) . . . . ?
B18 B15 B14 B20 100.3(2) . . . . ?
B18 B15 B20 B12 0.5(3) . . . . ?
B18 B15 B20 B11 36.9(2) . . . . ?
B18 B15 B20 B13 -63.8(3) . . . . ?
B18 B15 B20 B14 -100.9(2) . . . . ?
B18 B16 B14 B15 37.56(18) . . . . ?
B18 B16 B14 B13 -63.6(3) . . . . ?
B18 B16 B14 B19 -100.8(2) . . . . ?
B18 B16 B14 B20 -0.1(2) . . . . ?
B18 B16 B19 C11 1.8(3) . . . . ?
B18 B16 B19 B17 -37.60(19) . . . . ?
B18 B16 B19 B13 62.8(2) . . . . ?
B18 B16 B19 B14 99.9(2) . . . . ?
B18 B11 B20 B12 101.2(2) . . . . ?
B18 B11 B20 B15 -37.52(19) . . . . ?
B18 B11 B20 B13 62.8(2) . . . . ?
B18 B11 B20 B14 -0.1(2) . . . . ?
B14 B15 B16 B17 -100.8(2) . . . . ?
B14 B15 B16 B18 -137.60(19) . . . . ?
B14 B15 B16 B19 -37.01(18) . . . . ?
B14 B15 B11 C12 61.7(2) . . . . ?
B14 B15 B11 B12 -0.9(3) . . . . ?
B14 B15 B11 B18 100.5(2) . . . . ?
B14 B15 B11 B20 -37.72(19) . . . . ?
B14 B15 B18 C12 -61.8(3) . . . . ?
B14 B15 B18 B17 0.8(3) . . . . ?
B14 B15 B18 B16 37.92(19) . . . . ?
B14 B15 B18 B11 -100.6(2) . . . . ?
B14 B15 B20 B12 101.3(2) . . . . ?
B14 B15 B20 B11 137.8(2) . . . . ?
B14 B15 B20 B13 37.02(18) . . . . ?
B14 B16 B18 C12 62.2(2) . . . . ?
B14 B16 B18 B17 101.0(2) . . . . ?
B14 B16 B18 B15 -37.47(18) . . . . ?
B14 B16 B18 B11 0.1(2) . . . . ?
B14 B16 B19 C11 -98.1(2) . . . . ?
B14 B16 B19 B17 -137.5(2) . . . . ?
B14 B16 B19 B13 -37.18(19) . . . . ?
B14 B13 B19 C11 133.2(2) . . . . ?
B14 B13 B19 B17 100.5(2) . . . . ?
B14 B13 B19 B16 37.50(19) . . . . ?
B14 B13 B20 B12 -137.9(2) . . . . ?
B14 B13 B20 B15 -37.06(18) . . . . ?
B14 B13 B20 B11 -100.2(2) . . . . ?
B19 C11 B17 C12 140.4(2) . . . . ?
B19 C11 B17 B16 40.17(19) . . . . ?
B19 C11 B17 B18 102.9(2) . . . . ?
B19 C11 B12 C12 -103.5(2) . . . . ?
B19 C11 B12 B11 -66.1(2) . . . . ?
B19 C11 B12 B13 36.73(19) . . . . ?
B19 C11 B12 B20 -3.0(3) . . . . ?
B19 C11 B13 B12 -142.75(19) . . . . ?
B19 C11 B13 B14 -40.73(19) . . . . ?
B19 C11 B13 B20 -103.3(2) . . . . ?
B19 B17 B16 B15 100.6(2) . . . . ?
B19 B17 B16 B18 137.6(2) . . . . ?
B19 B17 B16 B14 37.8(2) . . . . ?
B19 B17 B18 C12 97.7(2) . . . . ?
B19 B17 B18 B15 -0.6(3) . . . . ?
B19 B17 B18 B16 -37.94(19) . . . . ?
B19 B17 B18 B11 63.6(2) . . . . ?
B19 B16 B18 C12 -0.8(3) . . . . ?
B19 B16 B18 B17 38.02(19) . . . . ?
B19 B16 B18 B15 -100.4(2) . . . . ?
B19 B16 B18 B11 -62.9(2) . . . . ?
B19 B16 B14 B15 138.4(2) . . . . ?
B19 B16 B14 B13 37.3(2) . . . . ?
B19 B16 B14 B20 100.7(2) . . . . ?
B19 B13 B14 B15 -100.8(2) . . . . ?
B19 B13 B14 B16 -37.1(2) . . . . ?
B19 B13 B14 B20 -138.3(2) . . . . ?
B19 B13 B20 B12 -100.4(2) . . . . ?
B19 B13 B20 B15 0.4(3) . . . . ?
B19 B13 B20 B11 -62.8(2) . . . . ?
B19 B13 B20 B14 37.49(18) . . . . ?
B19 B14 B20 B12 0.7(3) . . . . ?
B19 B14 B20 B15 100.9(2) . . . . ?
B19 B14 B20 B11 63.3(2) . . . . ?
B19 B14 B20 B13 -37.38(18) . . . . ?
B20 B12 B11 C12 -135.0(2) . . . . ?
B20 B12 B11 B15 -37.0(2) . . . . ?
B20 B12 B11 B18 -100.7(2) . . . . ?
B20 B12 B13 C11 134.11(19) . . . . ?
B20 B12 B13 B14 37.68(19) . . . . ?
B20 B12 B13 B19 101.2(2) . . . . ?
B20 B15 B16 B17 -63.2(2) . . . . ?
B20 B15 B16 B18 -100.1(2) . . . . ?
B20 B15 B16 B14 37.54(19) . . . . ?
B20 B15 B16 B19 0.5(3) . . . . ?
B20 B15 B11 C12 99.5(2) . . . . ?
B20 B15 B11 B12 36.8(2) . . . . ?
B20 B15 B11 B18 138.2(2) . . . . ?
B20 B15 B18 C12 1.6(3) . . . . ?
B20 B15 B18 B17 64.1(3) . . . . ?
B20 B15 B18 B16 101.3(2) . . . . ?
B20 B15 B18 B11 -37.3(2) . . . . ?
B20 B15 B14 B16 -138.08(19) . . . . ?
B20 B15 B14 B13 -37.36(19) . . . . ?
B20 B15 B14 B19 -101.0(2) . . . . ?
B20 B11 B18 C12 -97.9(2) . . . . ?
B20 B11 B18 B17 -63.6(2) . . . . ?
B20 B11 B18 B15 37.46(18) . . . . ?
B20 B11 B18 B16 0.0(2) . . . . ?
B20 B13 B14 B15 37.47(19) . . . . ?
B20 B13 B14 B16 101.2(2) . . . . ?
B20 B13 B14 B19 138.3(2) . . . . ?
B20 B13 B19 C11 95.6(2) . . . . ?
B20 B13 B19 B17 62.9(2) . . . . ?
B20 B13 B19 B16 -0.1(3) . . . . ?
B20 B13 B19 B14 -37.61(19) . . . . ?
B20 B14 B19 C11 -2.4(2) . . . . ?
B20 B14 B19 B17 -63.4(2) . . . . ?
B20 B14 B19 B16 -101.1(2) . . . . ?
B20 B14 B19 B13 37.32(19) . . . . ?
B3 B4 B2 C7 -134.7(2) . . . . ?
B3 B4 B2 B1 -100.5(2) . . . . ?
B3 B4 B2 B10 -37.0(2) . . . . ?
B3 B4 B9 B5 138.0(2) . . . . ?
B3 B4 B9 B6 100.4(3) . . . . ?
B3 B4 B9 B8 37.6(2) . . . . ?
B3 B2 B10 B1 -138.4(2) . . . . ?
B3 B2 B10 B7 -99.8(2) . . . . ?
B3 B2 B10 B8 -37.3(2) . . . . ?
B3 B9 B8 B7 100.6(2) . . . . ?
B3 B9 B8 B6 138.2(2) . . . . ?
B3 B9 B8 B10 37.2(2) . . . . ?
B3 B8 B10 B1 99.8(2) . . . . ?
B3 B8 B10 B2 37.3(2) . . . . ?
B3 B8 B10 B7 137.9(2) . . . . ?
B4 C7 B1 C6 -100.0(2) . . . . ?
B4 C7 B1 B2 36.3(2) . . . . ?
B4 C7 B1 B7 -65.8(2) . . . . ?
B4 C7 B1 B10 -3.4(3) . . . . ?
B4 C7 B5 C6 137.0(2) . . . . ?
B4 C7 B5 B6 102.6(2) . . . . ?
B4 C7 B5 B9 39.8(2) . . . . ?
B4 C7 B2 B1 -141.9(2) . . . . ?
B4 C7 B2 B3 -39.8(2) . . . . ?
B4 C7 B2 B10 -102.8(2) . . . . ?
B4 B5 B6 C6 95.8(2) . . . . ?
B4 B5 B6 B7 63.3(3) . . . . ?
B4 B5 B6 B9 -38.0(2) . . . . ?
B4 B5 B6 B8 0.0(3) . . . . ?
B4 B5 B9 B3 37.3(2) . . . . ?
B4 B5 B9 B6 138.0(2) . . . . ?
B4 B5 B9 B8 100.6(2) . . . . ?
B4 B3 B2 C7 39.5(2) . . . . ?
B4 B3 B2 B1 101.9(2) . . . . ?
B4 B3 B2 B10 139.1(2) . . . . ?
B4 B3 B9 B5 -37.3(2) . . . . ?
B4 B3 B9 B6 -100.8(2) . . . . ?
B4 B3 B9 B8 -137.9(2) . . . . ?
B4 B3 B8 B7 -63.1(3) . . . . ?
B4 B3 B8 B6 0.7(3) . . . . ?
B4 B3 B8 B9 37.9(2) . . . . ?
B4 B3 B8 B10 -100.7(2) . . . . ?
B4 B3 B10 B1 0.4(3) . . . . ?
B4 B3 B10 B2 -36.4(2) . . . . ?
B4 B3 B10 B7 64.2(3) . . . . ?
B4 B3 B10 B8 101.3(2) . . . . ?
B4 B2 B10 B1 -101.5(2) . . . . ?
B4 B2 B10 B3 36.8(2) . . . . ?
B4 B2 B10 B7 -63.0(3) . . . . ?
B4 B2 B10 B8 -0.4(3) . . . . ?
B4 B9 B8 B3 -37.5(2) . . . . ?
B4 B9 B8 B7 63.1(3) . . . . ?
B4 B9 B8 B6 100.7(2) . . . . ?
B4 B9 B8 B10 -0.3(3) . . . . ?
B2 C7 B1 C6 -136.3(2) . . . . ?
B2 C7 B1 B7 -102.1(2) . . . . ?
B2 C7 B1 B10 -39.66(19) . . . . ?
B2 C7 B5 C6 100.3(2) . . . . ?
B2 C7 B5 B4 -36.6(2) . . . . ?
B2 C7 B5 B6 66.0(3) . . . . ?
B2 C7 B5 B9 3.2(3) . . . . ?
B2 C7 B4 B5 141.4(2) . . . . ?
B2 C7 B4 B3 39.89(19) . . . . ?
B2 C7 B4 B9 102.2(2) . . . . ?
B2 B1 B7 C6 -95.1(2) . . . . ?
B2 B1 B7 B6 -62.4(3) . . . . ?
B2 B1 B7 B8 0.7(3) . . . . ?
B2 B1 B7 B10 38.8(2) . . . . ?
B2 B1 B10 B3 -36.8(2) . . . . ?
B2 B1 B10 B7 -137.0(2) . . . . ?
B2 B1 B10 B8 -99.5(3) . . . . ?
B2 B3 B4 C7 -38.95(19) . . . . ?
B2 B3 B4 B5 -101.0(2) . . . . ?
B2 B3 B4 B9 -138.3(2) . . . . ?
B2 B3 B9 B5 -0.2(3) . . . . ?
B2 B3 B9 B4 37.0(2) . . . . ?
B2 B3 B9 B6 -63.8(3) . . . . ?
B2 B3 B9 B8 -100.9(3) . . . . ?
B2 B3 B8 B7 -0.2(3) . . . . ?
B2 B3 B8 B6 63.6(3) . . . . ?
B2 B3 B8 B9 100.9(2) . . . . ?
B2 B3 B8 B10 -37.8(2) . . . . ?
B2 B3 B10 B1 36.76(19) . . . . ?
B2 B3 B10 B7 100.6(2) . . . . ?
B2 B3 B10 B8 137.7(2) . . . . ?
B2 B4 B9 B5 100.5(2) . . . . ?
B2 B4 B9 B3 -37.5(2) . . . . ?
B2 B4 B9 B6 62.8(3) . . . . ?
B2 B4 B9 B8 0.0(3) . . . . ?
B7 C6 C5 N1 138.5(2) . . . . ?
B7 C6 C5 C4 -41.5(4) . . . . ?
B7 C6 C7 Cu1 -148.32(18) . . . . ?
B7 C6 C7 B1 -38.5(2) . . . . ?
B7 C6 C7 B5 107.4(2) . . . . ?
B7 C6 C7 B4 68.0(3) . . . . ?
B7 C6 C7 B2 1.9(3) . . . . ?
B7 C6 B1 C7 140.3(2) . . . . ?
B7 C6 B1 B2 102.9(2) . . . . ?
B7 C6 B1 B10 40.0(2) . . . . ?
B7 C6 B5 C7 -104.0(2) . . . . ?
B7 C6 B5 B4 -66.8(2) . . . . ?
B7 C6 B5 B6 36.4(2) . . . . ?
B7 C6 B5 B9 -4.0(3) . . . . ?
B7 C6 B6 B5 -143.0(2) . . . . ?
B7 C6 B6 B9 -103.1(2) . . . . ?
B7 C6 B6 B8 -40.4(2) . . . . ?
B7 B1 B2 C7 97.1(2) . . . . ?
B7 B1 B2 B3 -0.8(3) . . . . ?
B7 B1 B2 B4 62.9(2) . . . . ?
B7 B1 B2 B10 -38.3(2) . . . . ?
B7 B1 B10 B3 100.2(2) . . . . ?
B7 B1 B10 B2 137.0(2) . . . . ?
B7 B1 B10 B8 37.5(2) . . . . ?
B7 B6 B9 B5 -100.4(2) . . . . ?
B7 B6 B9 B3 0.1(3) . . . . ?
B7 B6 B9 B4 -63.0(3) . . . . ?
B7 B6 B9 B8 37.4(2) . . . . ?
B7 B6 B8 B3 -101.1(2) . . . . ?
B7 B6 B8 B9 -138.2(2) . . . . ?
B7 B6 B8 B10 -37.3(2) . . . . ?
B7 B8 B10 B1 -38.0(2) . . . . ?
B7 B8 B10 B3 -137.9(2) . . . . ?
B7 B8 B10 B2 -100.6(2) . . . . ?
B6 C6 C5 N1 -144.9(2) . . . . ?
B6 C6 C5 C4 35.2(4) . . . . ?
B6 C6 C7 Cu1 142.38(17) . . . . ?
B6 C6 C7 B1 -107.8(2) . . . . ?
B6 C6 C7 B5 38.1(2) . . . . ?
B6 C6 C7 B4 -1.3(3) . . . . ?
B6 C6 C7 B2 -67.4(3) . . . . ?
B6 C6 B1 C7 103.6(2) . . . . ?
B6 C6 B1 B2 66.3(2) . . . . ?
B6 C6 B1 B7 -36.6(2) . . . . ?
B6 C6 B1 B10 3.4(3) . . . . ?
B6 C6 B5 C7 -140.3(2) . . . . ?
B6 C6 B5 B4 -103.2(2) . . . . ?
B6 C6 B5 B9 -40.33(19) . . . . ?
B6 C6 B7 B1 142.9(2) . . . . ?
B6 C6 B7 B8 40.33(19) . . . . ?
B6 C6 B7 B10 103.1(2) . . . . ?
B6 B5 B4 C7 -97.4(2) . . . . ?
B6 B5 B4 B3 0.4(3) . . . . ?
B6 B5 B4 B2 -63.4(3) . . . . ?
B6 B5 B4 B9 37.7(2) . . . . ?
B6 B5 B9 B3 -100.7(3) . . . . ?
B6 B5 B9 B4 -138.0(2) . . . . ?
B6 B5 B9 B8 -37.4(2) . . . . ?
B6 B7 B8 B3 100.5(3) . . . . ?
B6 B7 B8 B9 37.4(2) . . . . ?
B6 B7 B8 B10 138.3(2) . . . . ?
B6 B7 B10 B1 100.5(2) . . . . ?
B6 B7 B10 B3 -0.1(3) . . . . ?
B6 B7 B10 B2 62.5(3) . . . . ?
B6 B7 B10 B8 -37.3(2) . . . . ?
B6 B9 B8 B3 -138.2(2) . . . . ?
B6 B9 B8 B7 -37.6(2) . . . . ?
B6 B9 B8 B10 -101.0(2) . . . . ?
B6 B8 B10 B1 -0.5(3) . . . . ?
B6 B8 B10 B3 -100.3(3) . . . . ?
B6 B8 B10 B2 -63.0(3) . . . . ?
B6 B8 B10 B7 37.5(2) . . . . ?
B9 B5 B4 C7 -135.2(2) . . . . ?
B9 B5 B4 B3 -37.3(2) . . . . ?
B9 B5 B4 B2 -101.1(2) . . . . ?
B9 B5 B6 C6 133.8(2) . . . . ?
B9 B5 B6 B7 101.2(2) . . . . ?
B9 B5 B6 B8 37.9(2) . . . . ?
B9 B3 B4 C7 99.4(2) . . . . ?
B9 B3 B4 B5 37.3(2) . . . . ?
B9 B3 B4 B2 138.3(2) . . . . ?
B9 B3 B2 C7 2.1(3) . . . . ?
B9 B3 B2 B1 64.5(3) . . . . ?
B9 B3 B2 B4 -37.4(2) . . . . ?
B9 B3 B2 B10 101.7(3) . . . . ?
B9 B3 B8 B7 -101.1(2) . . . . ?
B9 B3 B8 B6 -37.3(2) . . . . ?
B9 B3 B8 B10 -138.7(2) . . . . ?
B9 B3 B10 B1 -63.7(3) . . . . ?
B9 B3 B10 B2 -100.4(2) . . . . ?
B9 B3 B10 B7 0.1(3) . . . . ?
B9 B3 B10 B8 37.3(2) . . . . ?
B9 B4 B2 C7 -97.5(2) . . . . ?
B9 B4 B2 B1 -63.3(3) . . . . ?
B9 B4 B2 B3 37.2(2) . . . . ?
B9 B4 B2 B10 0.2(3) . . . . ?
B9 B6 B8 B3 37.1(2) . . . . ?
B9 B6 B8 B7 138.2(2) . . . . ?
B9 B6 B8 B10 100.9(2) . . . . ?
B9 B8 B10 B1 63.0(3) . . . . ?
B9 B8 B10 B3 -36.8(2) . . . . ?
B9 B8 B10 B2 0.5(3) . . . . ?
B9 B8 B10 B7 101.0(2) . . . . ?
B8 B3 B4 C7 61.4(3) . . . . ?
B8 B3 B4 B5 -0.7(3) . . . . ?
B8 B3 B4 B2 100.4(3) . . . . ?
B8 B3 B4 B9 -37.9(2) . . . . ?
B8 B3 B2 C7 -61.8(3) . . . . ?
B8 B3 B2 B1 0.6(3) . . . . ?
B8 B3 B2 B4 -101.3(3) . . . . ?
B8 B3 B2 B10 37.8(2) . . . . ?
B8 B3 B9 B5 100.6(2) . . . . ?
B8 B3 B9 B4 137.9(2) . . . . ?
B8 B3 B9 B6 37.1(2) . . . . ?
B8 B3 B10 B1 -101.0(2) . . . . ?
B8 B3 B10 B2 -137.7(2) . . . . ?
B8 B3 B10 B7 -37.2(2) . . . . ?
B8 B7 B6 C6 -133.3(2) . . . . ?
B8 B7 B6 B5 -100.7(2) . . . . ?
B8 B7 B6 B9 -37.7(2) . . . . ?
B8 B7 B10 B1 137.7(2) . . . . ?
B8 B7 B10 B3 37.2(2) . . . . ?
B8 B7 B10 B2 99.8(3) . . . . ?
B8 B6 B9 B5 -137.8(2) . . . . ?
B8 B6 B9 B3 -37.3(2) . . . . ?
B8 B6 B9 B4 -100.4(3) . . . . ?
B10 B1 B2 C7 135.4(2) . . . . ?
B10 B1 B2 B3 37.5(2) . . . . ?
B10 B1 B2 B4 101.2(2) . . . . ?
B10 B1 B7 C6 -133.9(2) . . . . ?
B10 B1 B7 B6 -101.1(2) . . . . ?
B10 B1 B7 B8 -38.0(2) . . . . ?
B10 B3 B4 C7 -2.3(3) . . . . ?
B10 B3 B4 B5 -64.4(3) . . . . ?
B10 B3 B4 B2 36.7(2) . . . . ?
B10 B3 B4 B9 -101.7(2) . . . . ?
B10 B3 B2 C7 -99.6(2) . . . . ?
B10 B3 B2 B1 -37.2(2) . . . . ?
B10 B3 B2 B4 -139.1(2) . . . . ?
B10 B3 B9 B5 63.4(3) . . . . ?
B10 B3 B9 B4 100.7(2) . . . . ?
B10 B3 B9 B6 -0.2(3) . . . . ?
B10 B3 B9 B8 -37.2(2) . . . . ?
B10 B3 B8 B7 37.6(2) . . . . ?
B10 B3 B8 B6 101.4(2) . . . . ?
B10 B3 B8 B9 138.7(2) . . . . ?
B10 B7 B6 C6 -95.7(2) . . . . ?
B10 B7 B6 B5 -63.0(2) . . . . ?
B10 B7 B6 B9 0.0(3) . . . . ?
B10 B7 B6 B8 37.7(2) . . . . ?
B10 B7 B8 B3 -37.8(2) . . . . ?
B10 B7 B8 B6 -138.3(2) . . . . ?
B10 B7 B8 B9 -100.8(2) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.500 0.500 0.500 156.6 41.7 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2

_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_ddsdss_a
_database_code_depnum_ccdc_archive 'CCDC 2496934'
loop_
_audit_author_name
_audit_author_address
'Ju-You Lu'
;Hainan University
China
;
_audit_update_record             
;
2025-10-21 deposited with the CCDC.	2026-02-04 downloaded from the CCDC.
;
_audit_creation_date             2024-10-28
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C19 H23 B10 N'
_chemical_formula_sum            'C19 H23 B10 N'
_chemical_formula_weight         373.48
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   17.4659(6)
_cell_length_b                   6.6516(3)
_cell_length_c                   18.7605(7)
_cell_angle_alpha                90
_cell_angle_beta                 111.9990(10)
_cell_angle_gamma                90
_cell_volume                     2020.83(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5861
_cell_measurement_temperature    193.0
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      2.72
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.063
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5351
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1530 before and 0.0738 after correction.
The Ratio of minimum to maximum transmission is 0.7177.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            COLOURLESS
_exptl_crystal_density_diffrn    1.228
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             776
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0592
_diffrn_reflns_av_unetI/netI     0.0541
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            18135
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.536
_diffrn_reflns_theta_min         2.342
_diffrn_ambient_temperature      193.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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_source_current           40.0
_diffrn_source_power             1.8
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3619
_reflns_number_total             4646
_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 V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.270
_refine_diff_density_min         -0.247
_refine_diff_density_rms         0.042
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         4646
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0695
_refine_ls_R_factor_gt           0.0517
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0580P)²+0.8597P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1319
_refine_ls_wR_factor_ref         0.1448
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Aromatic/amide H refined with riding coordinates:
 C003(H003), C008(H008), C009(H009), C00B(H00B), C00C(H00C), C00D(H00D),
 C00E(H00E), C00F(H00F), C00G(H00G), C00H(H00H), C00I(H00I), C00J(H00J),
 C00L(H00L)
1.b Boron cage BH refined with riding coordinates:
 B00K(H00K), B00M(H00M), B00N(H00N), B00O(H00O), B00P(H00P), B00Q(H00Q),
 B00R(H00R), B00S(H00S), B00T(H00T), B00U(H00U)
;
_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
N001 N 0.14734(9) -0.1824(2) 0.38066(8) 0.0329(3) Uani 1 1 d . . . . .
C002 C 0.13470(9) 0.0073(2) 0.35570(8) 0.0264(3) Uani 1 1 d . . . . .
C003 C 0.30940(9) 0.1772(2) 0.38278(8) 0.0272(3) Uani 1 1 d . . . . .
H003 H 0.3301 0.0602 0.4129 0.033 Uiso 1 1 calc R U . . .
C004 C 0.39418(9) 0.5518(2) 0.53971(8) 0.0279(3) Uani 1 1 d . . . . .
C005 C 0.25174(9) 0.1487(2) 0.30163(8) 0.0248(3) Uani 1 1 d . . . . .
C006 C 0.15693(9) 0.0534(2) 0.28718(8) 0.0238(3) Uani 1 1 d . . . . .
C007 C 0.39611(9) 0.3808(2) 0.49430(8) 0.0284(3) Uani 1 1 d . . . . .
C008 C 0.33381(9) 0.3540(2) 0.41594(8) 0.0280(3) Uani 1 1 d . . . . .
H008 H 0.3097 0.4712 0.3875 0.034 Uiso 1 1 calc R U . . .
C009 C 0.33318(10) 0.7037(3) 0.51393(9) 0.0335(4) Uani 1 1 d . . . . .
H009 H 0.2907 0.6922 0.4644 0.040 Uiso 1 1 calc R U . . .
C00A C 0.45688(10) 0.5728(3) 0.61476(9) 0.0338(4) Uani 1 1 d . . . . .
C00B C 0.45797(10) 0.2422(3) 0.52355(10) 0.0383(4) Uani 1 1 d . . . . .
H00B H 0.4598 0.1299 0.4929 0.046 Uiso 1 1 calc R U . . .
C00C C 0.51843(10) 0.4229(3) 0.64217(9) 0.0397(4) Uani 1 1 d . . . . .
H00C H 0.5599 0.4353 0.6922 0.048 Uiso 1 1 calc R U . . .
C00D C 0.10083(11) 0.1517(3) 0.38813(10) 0.0393(4) Uani 1 1 d . . . . .
H00D H 0.0917 0.2848 0.3684 0.047 Uiso 1 1 calc R U . . .
C00E C 0.51905(11) 0.2617(3) 0.59805(10) 0.0430(4) Uani 1 1 d . . . . .
H00E H 0.5607 0.1620 0.6173 0.052 Uiso 1 1 calc R U . . .
C00F C 0.33402(12) 0.8667(3) 0.55863(11) 0.0424(4) Uani 1 1 d . . . . .
H00F H 0.2924 0.9666 0.5399 0.051 Uiso 1 1 calc R U . . .
C00G C 0.12605(11) -0.2309(3) 0.44013(10) 0.0392(4) Uani 1 1 d . . . . .
H00G H 0.1343 -0.3657 0.4582 0.047 Uiso 1 1 calc R U . . .
C00H C 0.09306(11) -0.0968(3) 0.47642(10) 0.0423(5) Uani 1 1 d . . . . .
H00H H 0.0793 -0.1377 0.5187 0.051 Uiso 1 1 calc R U . . .
C00I C 0.39599(13) 0.8873(3) 0.63206(11) 0.0472(5) Uani 1 1 d . . . . .
H00I H 0.3963 1.0010 0.6628 0.057 Uiso 1 1 calc R U . . .
C00J C 0.45558(12) 0.7442(3) 0.65907(10) 0.0433(5) Uani 1 1 d . . . . .
H00J H 0.4973 0.7596 0.7088 0.052 Uiso 1 1 calc R U . . .
B00K B 0.23001(10) -0.0991(3) 0.27294(10) 0.0252(3) Uani 1 1 d . . . . .
H00K H 0.2597 -0.2308 0.3102 0.030 Uiso 1 1 calc R U . . .
C00L C 0.08048(12) 0.0974(3) 0.45028(11) 0.0471(5) Uani 1 1 d . . . . .
H00L H 0.0581 0.1938 0.4744 0.057 Uiso 1 1 calc R U . . .
B00M B 0.08508(11) 0.1466(3) 0.20469(10) 0.0299(4) Uani 1 1 d . . . . .
H00M H 0.0190 0.1752 0.1960 0.036 Uiso 1 1 calc R U . . .
B00N B 0.24622(12) 0.3077(3) 0.22835(10) 0.0309(4) Uani 1 1 d . . . . .
H00N H 0.2867 0.4427 0.2353 0.037 Uiso 1 1 calc R U . . .
B00O B 0.28556(11) 0.0588(3) 0.23294(10) 0.0292(4) Uani 1 1 d . . . . .
H00O H 0.3520 0.0299 0.2429 0.035 Uiso 1 1 calc R U . . .
B00P B 0.16622(11) 0.3027(3) 0.26529(10) 0.0280(4) Uani 1 1 d . . . . .
H00P H 0.1542 0.4331 0.2974 0.034 Uiso 1 1 calc R U . . .
B00Q B 0.20500(12) -0.0982(3) 0.17250(10) 0.0300(4) Uani 1 1 d . . . . .
H00Q H 0.2179 -0.2308 0.1419 0.036 Uiso 1 1 calc R U . . .
B00R B 0.12490(11) -0.1024(3) 0.20947(10) 0.0284(4) Uani 1 1 d . . . . .
H00R H 0.0850 -0.2380 0.2039 0.034 Uiso 1 1 calc R U . . .
B00S B 0.21453(12) 0.1548(3) 0.14443(10) 0.0328(4) Uani 1 1 d . . . . .
H00S H 0.2335 0.1892 0.0950 0.039 Uiso 1 1 calc R U . . .
B00T B 0.11530(12) 0.0553(3) 0.13009(10) 0.0325(4) Uani 1 1 d . . . . .
H00T H 0.0689 0.0240 0.0711 0.039 Uiso 1 1 calc R U . . .
B00U B 0.14065(12) 0.3060(3) 0.16502(10) 0.0322(4) Uani 1 1 d . . . . .
H00U H 0.1110 0.4404 0.1294 0.039 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
N001 C002 1.335(2) . ?
N001 C00G 1.341(2) . ?
C002 C006 1.507(2) . ?
C002 C00D 1.383(2) . ?
C003 H003 0.9500 . ?
C003 C005 1.490(2) . ?
C003 C008 1.324(2) . ?
C004 C007 1.429(2) . ?
C004 C009 1.416(2) . ?
C004 C00A 1.430(2) . ?
C005 C006 1.698(2) . ?
C005 B00K 1.732(2) . ?
C005 B00N 1.708(2) . ?
C005 B00O 1.714(2) . ?
C005 B00P 1.727(2) . ?
C006 B00K 1.727(2) . ?
C006 B00M 1.703(2) . ?
C006 B00P 1.731(2) . ?
C006 B00R 1.703(2) . ?
C007 C008 1.476(2) . ?
C007 C00B 1.369(2) . ?
C008 H008 0.9500 . ?
C009 H009 0.9500 . ?
C009 C00F 1.367(2) . ?
C00A C00C 1.414(3) . ?
C00A C00J 1.416(3) . ?
C00B H00B 0.9500 . ?
C00B C00E 1.411(2) . ?
C00C H00C 0.9500 . ?
C00C C00E 1.357(3) . ?
C00D H00D 0.9500 . ?
C00D C00L 1.388(3) . ?
C00E H00E 0.9500 . ?
C00F H00F 0.9500 . ?
C00F C00I 1.404(3) . ?
C00G H00G 0.9500 . ?
C00G C00H 1.373(3) . ?
C00H H00H 0.9500 . ?
C00H C00L 1.370(3) . ?
C00I H00I 0.9500 . ?
C00I C00J 1.361(3) . ?
C00J H00J 0.9500 . ?
B00K H00K 1.1200 . ?
B00K B00O 1.776(2) . ?
B00K B00Q 1.768(2) . ?
B00K B00R 1.775(2) . ?
C00L H00L 0.9500 . ?
B00M H00M 1.1200 . ?
B00M B00P 1.781(2) . ?
B00M B00R 1.786(3) . ?
B00M B00T 1.778(3) . ?
B00M B00U 1.778(3) . ?
B00N H00N 1.1200 . ?
B00N B00O 1.782(3) . ?
B00N B00P 1.777(3) . ?
B00N B00S 1.780(3) . ?
B00N B00U 1.781(3) . ?
B00O H00O 1.1200 . ?
B00O B00Q 1.778(3) . ?
B00O B00S 1.778(3) . ?
B00P H00P 1.1200 . ?
B00P B00U 1.763(2) . ?
B00Q H00Q 1.1200 . ?
B00Q B00R 1.779(3) . ?
B00Q B00S 1.790(3) . ?
B00Q B00T 1.788(3) . ?
B00R H00R 1.1200 . ?
B00R B00T 1.777(3) . ?
B00S H00S 1.1200 . ?
B00S B00T 1.779(3) . ?
B00S B00U 1.789(3) . ?
B00T H00T 1.1200 . ?
B00T B00U 1.786(3) . ?
B00U H00U 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
C002 N001 C00G 117.30(15) . . ?
N001 C002 C006 115.46(13) . . ?
N001 C002 C00D 122.94(15) . . ?
C00D C002 C006 121.56(15) . . ?
C005 C003 H003 117.7 . . ?
C008 C003 H003 117.7 . . ?
C008 C003 C005 124.65(14) . . ?
C007 C004 C00A 118.96(15) . . ?
C009 C004 C007 123.19(14) . . ?
C009 C004 C00A 117.86(15) . . ?
C003 C005 C006 117.14(12) . . ?
C003 C005 B00K 115.10(12) . . ?
C003 C005 B00N 123.82(13) . . ?
C003 C005 B00O 121.43(12) . . ?
C003 C005 B00P 118.79(12) . . ?
C006 C005 B00K 60.49(9) . . ?
C006 C005 B00N 110.19(11) . . ?
C006 C005 B00O 109.86(11) . . ?
C006 C005 B00P 60.72(9) . . ?
B00N C005 B00K 113.55(12) . . ?
B00N C005 B00O 62.78(10) . . ?
B00N C005 B00P 62.32(10) . . ?
B00O C005 B00K 62.04(10) . . ?
B00O C005 B00P 113.64(12) . . ?
B00P C005 B00K 112.68(11) . . ?
C002 C006 C005 119.17(11) . . ?
C002 C006 B00K 116.99(12) . . ?
C002 C006 B00M 120.78(12) . . ?
C002 C006 B00P 118.31(12) . . ?
C002 C006 B00R 119.96(13) . . ?
C005 C006 B00K 60.73(9) . . ?
C005 C006 B00M 110.59(12) . . ?
C005 C006 B00P 60.48(9) . . ?
C005 C006 B00R 110.61(11) . . ?
B00K C006 B00P 112.67(12) . . ?
B00M C006 B00K 114.15(11) . . ?
B00M C006 B00P 62.48(10) . . ?
B00M C006 B00R 63.25(10) . . ?
B00R C006 B00K 62.31(10) . . ?
B00R C006 B00P 114.20(12) . . ?
C004 C007 C008 121.11(14) . . ?
C00B C007 C004 119.24(14) . . ?
C00B C007 C008 119.64(15) . . ?
C003 C008 C007 124.26(14) . . ?
C003 C008 H008 117.9 . . ?
C007 C008 H008 117.9 . . ?
C004 C009 H009 119.2 . . ?
C00F C009 C004 121.51(16) . . ?
C00F C009 H009 119.2 . . ?
C00C C00A C004 119.11(16) . . ?
C00C C00A C00J 122.09(16) . . ?
C00J C00A C004 118.79(16) . . ?
C007 C00B H00B 119.2 . . ?
C007 C00B C00E 121.67(17) . . ?
C00E C00B H00B 119.2 . . ?
C00A C00C H00C 119.5 . . ?
C00E C00C C00A 120.92(15) . . ?
C00E C00C H00C 119.5 . . ?
C002 C00D H00D 120.8 . . ?
C002 C00D C00L 118.37(18) . . ?
C00L C00D H00D 120.8 . . ?
C00B C00E H00E 120.0 . . ?
C00C C00E C00B 120.09(17) . . ?
C00C C00E H00E 120.0 . . ?
C009 C00F H00F 119.8 . . ?
C009 C00F C00I 120.43(19) . . ?
C00I C00F H00F 119.8 . . ?
N001 C00G H00G 118.2 . . ?
N001 C00G C00H 123.68(18) . . ?
C00H C00G H00G 118.2 . . ?
C00G C00H H00H 120.8 . . ?
C00L C00H C00G 118.43(17) . . ?
C00L C00H H00H 120.8 . . ?
C00F C00I H00I 120.1 . . ?
C00J C00I C00F 119.87(18) . . ?
C00J C00I H00I 120.1 . . ?
C00A C00J H00J 119.2 . . ?
C00I C00J C00A 121.54(16) . . ?
C00I C00J H00J 119.2 . . ?
C005 B00K H00K 123.7 . . ?
C005 B00K B00O 58.49(9) . . ?
C005 B00K B00Q 105.43(12) . . ?
C005 B00K B00R 105.76(12) . . ?
C006 B00K C005 58.79(9) . . ?
C006 B00K H00K 123.9 . . ?
C006 B00K B00O 105.69(12) . . ?
C006 B00K B00Q 105.13(12) . . ?
C006 B00K B00R 58.17(9) . . ?
B00O B00K H00K 121.9 . . ?
B00Q B00K H00K 122.7 . . ?
B00Q B00K B00O 60.23(10) . . ?
B00Q B00K B00R 60.30(10) . . ?
B00R B00K H00K 122.0 . . ?
B00R B00K B00O 108.38(12) . . ?
C00D C00L H00L 120.4 . . ?
C00H C00L C00D 119.26(18) . . ?
C00H C00L H00L 120.4 . . ?
C006 B00M H00M 124.3 . . ?
C006 B00M B00P 59.54(9) . . ?
C006 B00M B00R 58.38(9) . . ?
C006 B00M B00T 104.82(12) . . ?
C006 B00M B00U 105.41(12) . . ?
B00P B00M H00M 121.6 . . ?
B00P B00M B00R 107.88(12) . . ?
B00R B00M H00M 121.7 . . ?
B00T B00M H00M 122.5 . . ?
B00T B00M B00P 107.58(13) . . ?
B00T B00M B00R 59.83(10) . . ?
B00T B00M B00U 60.31(11) . . ?
B00U B00M H00M 122.2 . . ?
B00U B00M B00P 59.41(10) . . ?
B00U B00M B00R 108.11(13) . . ?
C005 B00N H00N 124.1 . . ?
C005 B00N B00O 58.77(9) . . ?
C005 B00N B00P 59.36(9) . . ?
C005 B00N B00S 105.25(13) . . ?
C005 B00N B00U 105.38(13) . . ?
B00O B00N H00N 121.6 . . ?
B00P B00N H00N 121.7 . . ?
B00P B00N B00O 107.99(13) . . ?
B00P B00N B00S 107.75(13) . . ?
B00P B00N B00U 59.42(10) . . ?
B00S B00N H00N 122.3 . . ?
B00S B00N B00O 59.88(10) . . ?
B00S B00N B00U 60.32(11) . . ?
B00U B00N H00N 122.3 . . ?
B00U B00N B00O 108.08(13) . . ?
C005 B00O B00K 59.47(9) . . ?
C005 B00O B00N 58.45(10) . . ?
C005 B00O H00O 124.2 . . ?
C005 B00O B00Q 105.74(12) . . ?
C005 B00O B00S 105.10(12) . . ?
B00K B00O B00N 107.94(12) . . ?
B00K B00O H00O 121.6 . . ?
B00K B00O B00Q 59.66(10) . . ?
B00K B00O B00S 107.85(13) . . ?
B00N B00O H00O 121.6 . . ?
B00Q B00O B00N 108.45(13) . . ?
B00Q B00O H00O 121.9 . . ?
B00S B00O B00N 59.99(10) . . ?
B00S B00O H00O 122.3 . . ?
B00S B00O B00Q 60.44(10) . . ?
C005 B00P C006 58.81(9) . . ?
C005 B00P B00M 105.66(12) . . ?
C005 B00P B00N 58.33(10) . . ?
C005 B00P H00P 123.7 . . ?
C005 B00P B00U 105.33(12) . . ?
C006 B00P B00M 57.99(9) . . ?
C006 B00P B00N 105.52(12) . . ?
C006 B00P H00P 124.1 . . ?
C006 B00P B00U 104.84(12) . . ?
B00M B00P H00P 122.0 . . ?
B00N B00P B00M 108.41(13) . . ?
B00N B00P H00P 121.9 . . ?
B00U B00P B00M 60.21(10) . . ?
B00U B00P B00N 60.38(10) . . ?
B00U B00P H00P 122.8 . . ?
B00K B00Q B00O 60.10(10) . . ?
B00K B00Q H00Q 121.8 . . ?
B00K B00Q B00R 60.05(10) . . ?
B00K B00Q B00S 107.67(12) . . ?
B00K B00Q B00T 107.55(12) . . ?
B00O B00Q H00Q 121.8 . . ?
B00O B00Q B00R 108.09(12) . . ?
B00O B00Q B00S 59.78(10) . . ?
B00O B00Q B00T 107.49(13) . . ?
B00R B00Q H00Q 121.7 . . ?
B00R B00Q B00S 107.62(13) . . ?
B00R B00Q B00T 59.77(10) . . ?
B00S B00Q H00Q 122.1 . . ?
B00T B00Q H00Q 122.2 . . ?
B00T B00Q B00S 59.64(11) . . ?
C006 B00R B00K 59.52(9) . . ?
C006 B00R B00M 58.36(9) . . ?
C006 B00R B00Q 105.67(12) . . ?
C006 B00R H00R 124.2 . . ?
C006 B00R B00T 104.82(13) . . ?
B00K B00R B00M 107.91(12) . . ?
B00K B00R B00Q 59.65(10) . . ?
B00K B00R H00R 121.6 . . ?
B00K B00R B00T 107.70(13) . . ?
B00M B00R H00R 121.7 . . ?
B00Q B00R B00M 108.31(13) . . ?
B00Q B00R H00R 121.9 . . ?
B00T B00R B00M 59.85(10) . . ?
B00T B00R B00Q 60.36(10) . . ?
B00T B00R H00R 122.5 . . ?
B00N B00S B00Q 108.04(12) . . ?
B00N B00S H00S 121.7 . . ?
B00N B00S B00U 59.86(10) . . ?
B00O B00S B00N 60.14(10) . . ?
B00O B00S B00Q 59.78(10) . . ?
B00O B00S H00S 121.8 . . ?
B00O B00S B00T 107.88(13) . . ?
B00O B00S B00U 107.92(12) . . ?
B00Q B00S H00S 121.7 . . ?
B00T B00S B00N 108.00(13) . . ?
B00T B00S B00Q 60.13(11) . . ?
B00T B00S H00S 121.7 . . ?
B00T B00S B00U 60.08(11) . . ?
B00U B00S B00Q 108.14(13) . . ?
B00U B00S H00S 121.7 . . ?
B00M B00T B00Q 108.30(12) . . ?
B00M B00T B00S 108.27(13) . . ?
B00M B00T H00T 121.6 . . ?
B00M B00T B00U 59.85(11) . . ?
B00Q B00T H00T 121.5 . . ?
B00R B00T B00M 60.32(10) . . ?
B00R B00T B00Q 59.88(10) . . ?
B00R B00T B00S 108.18(12) . . ?
B00R B00T H00T 121.7 . . ?
B00R B00T B00U 108.13(12) . . ?
B00S B00T B00Q 60.23(11) . . ?
B00S B00T H00T 121.5 . . ?
B00S B00T B00U 60.23(11) . . ?
B00U B00T B00Q 108.34(13) . . ?
B00U B00T H00T 121.6 . . ?
B00M B00U B00N 108.40(12) . . ?
B00M B00U B00S 107.82(13) . . ?
B00M B00U B00T 59.83(11) . . ?
B00M B00U H00U 121.5 . . ?
B00N B00U B00S 59.82(10) . . ?
B00N B00U B00T 107.65(13) . . ?
B00N B00U H00U 121.7 . . ?
B00P B00U B00M 60.38(10) . . ?
B00P B00U B00N 60.20(10) . . ?
B00P B00U B00S 107.97(12) . . ?
B00P B00U B00T 107.98(13) . . ?
B00P B00U H00U 121.5 . . ?
B00S B00U H00U 122.0 . . ?
B00T B00U B00S 59.69(11) . . ?
B00T B00U H00U 122.0 . . ?

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
N001 C002 C006 C005 -94.68(16) . . . . ?
N001 C002 C006 B00K -24.81(18) . . . . ?
N001 C002 C006 B00M 122.08(15) . . . . ?
N001 C002 C006 B00P -164.79(13) . . . . ?
N001 C002 C006 B00R 47.23(18) . . . . ?
N001 C002 C00D C00L 1.2(3) . . . . ?
N001 C00G C00H C00L 0.5(3) . . . . ?
C002 N001 C00G C00H -0.6(3) . . . . ?
C002 C006 B00K C005 -109.97(13) . . . . ?
C002 C006 B00K B00O -146.36(12) . . . . ?
C002 C006 B00K B00Q 150.91(13) . . . . ?
C002 C006 B00K B00R 111.44(14) . . . . ?
C002 C006 B00M B00P 108.19(15) . . . . ?
C002 C006 B00M B00R -110.53(15) . . . . ?
C002 C006 B00M B00T -149.88(14) . . . . ?
C002 C006 B00M B00U 147.41(14) . . . . ?
C002 C006 B00P C005 109.34(13) . . . . ?
C002 C006 B00P B00M -112.01(14) . . . . ?
C002 C006 B00P B00N 145.71(12) . . . . ?
C002 C006 B00P B00U -151.49(13) . . . . ?
C002 C006 B00R B00K -106.80(14) . . . . ?
C002 C006 B00R B00M 111.77(15) . . . . ?
C002 C006 B00R B00Q -146.08(13) . . . . ?
C002 C006 B00R B00T 151.12(13) . . . . ?
C002 C00D C00L C00H -1.2(3) . . . . ?
C003 C005 C006 C002 1.51(19) . . . . ?
C003 C005 C006 B00K -104.92(14) . . . . ?
C003 C005 C006 B00M 148.19(13) . . . . ?
C003 C005 C006 B00P 109.45(14) . . . . ?
C003 C005 C006 B00R -143.67(13) . . . . ?
C003 C005 B00K C006 108.28(13) . . . . ?
C003 C005 B00K B00O -113.78(14) . . . . ?
C003 C005 B00K B00Q -153.12(13) . . . . ?
C003 C005 B00K B00R 144.02(13) . . . . ?
C003 C005 B00N B00O 111.17(16) . . . . ?
C003 C005 B00N B00P -107.65(16) . . . . ?
C003 C005 B00N B00S 150.48(14) . . . . ?
C003 C005 B00N B00U -146.73(14) . . . . ?
C003 C005 B00O B00K 103.79(15) . . . . ?
C003 C005 B00O B00N -114.78(16) . . . . ?
C003 C005 B00O B00Q 142.94(14) . . . . ?
C003 C005 B00O B00S -154.11(14) . . . . ?
C003 C005 B00P C006 -106.78(14) . . . . ?
C003 C005 B00P B00M -142.35(14) . . . . ?
C003 C005 B00P B00N 115.39(15) . . . . ?
C003 C005 B00P B00U 154.92(14) . . . . ?
C004 C007 C008 C003 -151.33(16) . . . . ?
C004 C007 C00B C00E 1.3(3) . . . . ?
C004 C009 C00F C00I -0.1(3) . . . . ?
C004 C00A C00C C00E 0.6(2) . . . . ?
C004 C00A C00J C00I 0.5(3) . . . . ?
C005 C003 C008 C007 -174.79(14) . . . . ?
C005 C006 B00K B00O -36.39(10) . . . . ?
C005 C006 B00K B00Q -99.12(12) . . . . ?
C005 C006 B00K B00R -138.58(12) . . . . ?
C005 C006 B00M B00P -37.88(11) . . . . ?
C005 C006 B00M B00R 103.40(13) . . . . ?
C005 C006 B00M B00T 64.06(15) . . . . ?
C005 C006 B00M B00U 1.34(16) . . . . ?
C005 C006 B00P B00M 138.65(12) . . . . ?
C005 C006 B00P B00N 36.37(10) . . . . ?
C005 C006 B00P B00U 99.17(13) . . . . ?
C005 C006 B00R B00K 38.06(11) . . . . ?
C005 C006 B00R B00M -103.36(13) . . . . ?
C005 C006 B00R B00Q -1.22(16) . . . . ?
C005 C006 B00R B00T -64.01(14) . . . . ?
C005 B00K B00O B00N -33.96(11) . . . . ?
C005 B00K B00O B00Q -135.25(13) . . . . ?
C005 B00K B00O B00S -97.34(13) . . . . ?
C005 B00K B00Q B00O 38.51(11) . . . . ?
C005 B00K B00Q B00R -99.61(13) . . . . ?
C005 B00K B00Q B00S 0.94(16) . . . . ?
C005 B00K B00Q B00T -61.95(15) . . . . ?
C005 B00K B00R C006 -36.01(11) . . . . ?
C005 B00K B00R B00M -2.10(15) . . . . ?
C005 B00K B00R B00Q 99.05(13) . . . . ?
C005 B00K B00R B00T 61.10(14) . . . . ?
C005 B00N B00O B00K 34.37(11) . . . . ?
C005 B00N B00O B00Q 97.52(13) . . . . ?
C005 B00N B00O B00S 135.04(13) . . . . ?
C005 B00N B00P C006 -36.58(10) . . . . ?
C005 B00N B00P B00M -97.41(13) . . . . ?
C005 B00N B00P B00U -135.09(13) . . . . ?
C005 B00N B00S B00O -38.78(12) . . . . ?
C005 B00N B00S B00Q -1.66(17) . . . . ?
C005 B00N B00S B00T 61.92(16) . . . . ?
C005 B00N B00S B00U 99.27(14) . . . . ?
C005 B00N B00U B00M 1.30(17) . . . . ?
C005 B00N B00U B00P 39.05(12) . . . . ?
C005 B00N B00U B00S -99.05(13) . . . . ?
C005 B00N B00U B00T -61.96(15) . . . . ?
C005 B00O B00Q B00K -39.05(11) . . . . ?
C005 B00O B00Q B00R -1.57(17) . . . . ?
C005 B00O B00Q B00S 98.70(13) . . . . ?
C005 B00O B00Q B00T 61.53(15) . . . . ?
C005 B00O B00S B00N 38.59(12) . . . . ?
C005 B00O B00S B00Q -99.79(13) . . . . ?
C005 B00O B00S B00T -62.31(16) . . . . ?
C005 B00O B00S B00U 1.17(17) . . . . ?
C005 B00P B00U B00M 99.53(13) . . . . ?
C005 B00P B00U B00N -38.54(12) . . . . ?
C005 B00P B00U B00S -1.17(17) . . . . ?
C005 B00P B00U B00T 61.92(16) . . . . ?
C006 C002 C00D C00L 178.82(15) . . . . ?
C006 C005 B00K B00O 137.94(12) . . . . ?
C006 C005 B00K B00Q 98.59(12) . . . . ?
C006 C005 B00K B00R 35.73(10) . . . . ?
C006 C005 B00N B00O -102.58(13) . . . . ?
C006 C005 B00N B00P 38.60(11) . . . . ?
C006 C005 B00N B00S -63.27(15) . . . . ?
C006 C005 B00N B00U -0.48(16) . . . . ?
C006 C005 B00O B00K -38.31(11) . . . . ?
C006 C005 B00O B00N 103.12(13) . . . . ?
C006 C005 B00O B00Q 0.84(16) . . . . ?
C006 C005 B00O B00S 63.79(15) . . . . ?
C006 C005 B00P B00M -35.57(11) . . . . ?
C006 C005 B00P B00N -137.83(12) . . . . ?
C006 C005 B00P B00U -98.31(13) . . . . ?
C006 B00K B00O C005 36.52(10) . . . . ?
C006 B00K B00O B00N 2.57(15) . . . . ?
C006 B00K B00O B00Q -98.72(12) . . . . ?
C006 B00K B00O B00S -60.81(15) . . . . ?
C006 B00K B00Q B00O 99.68(13) . . . . ?
C006 B00K B00Q B00R -38.44(11) . . . . ?
C006 B00K B00Q B00S 62.11(15) . . . . ?
C006 B00K B00Q B00T -0.79(16) . . . . ?
C006 B00K B00R B00M 33.91(11) . . . . ?
C006 B00K B00R B00Q 135.06(13) . . . . ?
C006 B00K B00R B00T 97.10(13) . . . . ?
C006 B00M B00P C005 35.94(11) . . . . ?
C006 B00M B00P B00N 97.16(13) . . . . ?
C006 B00M B00P B00U 134.91(13) . . . . ?
C006 B00M B00R B00K -34.38(11) . . . . ?
C006 B00M B00R B00Q -97.48(13) . . . . ?
C006 B00M B00R B00T -134.85(13) . . . . ?
C006 B00M B00T B00Q 1.49(17) . . . . ?
C006 B00M B00T B00R 38.64(11) . . . . ?
C006 B00M B00T B00S -62.31(16) . . . . ?
C006 B00M B00T B00U -99.53(13) . . . . ?
C006 B00M B00U B00N -1.62(17) . . . . ?
C006 B00M B00U B00P -39.29(11) . . . . ?
C006 B00M B00U B00S 61.66(15) . . . . ?
C006 B00M B00U B00T 98.53(13) . . . . ?
C006 B00P B00U B00M 38.41(11) . . . . ?
C006 B00P B00U B00N -99.66(13) . . . . ?
C006 B00P B00U B00S -62.29(15) . . . . ?
C006 B00P B00U B00T 0.80(16) . . . . ?
C006 B00R B00T B00M -38.63(11) . . . . ?
C006 B00R B00T B00Q 99.84(13) . . . . ?
C006 B00R B00T B00S 62.47(15) . . . . ?
C006 B00R B00T B00U -1.27(16) . . . . ?
C007 C004 C009 C00F -179.08(16) . . . . ?
C007 C004 C00A C00C -0.6(2) . . . . ?
C007 C004 C00A C00J 178.94(14) . . . . ?
C007 C00B C00E C00C -1.3(3) . . . . ?
C008 C003 C005 C006 -111.71(17) . . . . ?
C008 C003 C005 B00K -179.93(15) . . . . ?
C008 C003 C005 B00N 32.4(2) . . . . ?
C008 C003 C005 B00O 108.77(18) . . . . ?
C008 C003 C005 B00P -41.9(2) . . . . ?
C008 C007 C00B C00E 179.80(16) . . . . ?
C009 C004 C007 C008 0.8(2) . . . . ?
C009 C004 C007 C00B 179.30(16) . . . . ?
C009 C004 C00A C00C 179.74(15) . . . . ?
C009 C004 C00A C00J -0.7(2) . . . . ?
C009 C00F C00I C00J -0.1(3) . . . . ?
C00A C004 C007 C008 -178.82(14) . . . . ?
C00A C004 C007 C00B -0.3(2) . . . . ?
C00A C004 C009 C00F 0.5(2) . . . . ?
C00A C00C C00E C00B 0.3(3) . . . . ?
C00B C007 C008 C003 30.2(2) . . . . ?
C00C C00A C00J C00I -179.96(17) . . . . ?
C00D C002 C006 C005 87.50(18) . . . . ?
C00D C002 C006 B00K 157.37(15) . . . . ?
C00D C002 C006 B00M -55.7(2) . . . . ?
C00D C002 C006 B00P 17.4(2) . . . . ?
C00D C002 C006 B00R -130.59(16) . . . . ?
C00F C00I C00J C00A -0.1(3) . . . . ?
C00G N001 C002 C006 -178.09(14) . . . . ?
C00G N001 C002 C00D -0.3(2) . . . . ?
C00G C00H C00L C00D 0.4(3) . . . . ?
C00J C00A C00C C00E -178.91(17) . . . . ?
B00K C005 C006 C002 106.43(14) . . . . ?
B00K C005 C006 B00M -106.88(13) . . . . ?
B00K C005 C006 B00P -145.62(12) . . . . ?
B00K C005 C006 B00R -38.74(11) . . . . ?
B00K C005 B00N B00O -36.93(12) . . . . ?
B00K C005 B00N B00P 104.25(13) . . . . ?
B00K C005 B00N B00S 2.39(17) . . . . ?
B00K C005 B00N B00U 65.17(15) . . . . ?
B00K C005 B00O B00N 141.43(12) . . . . ?
B00K C005 B00O B00Q 39.15(11) . . . . ?
B00K C005 B00O B00S 102.10(13) . . . . ?
B00K C005 B00P C006 32.18(11) . . . . ?
B00K C005 B00P B00M -3.40(16) . . . . ?
B00K C005 B00P B00N -105.66(13) . . . . ?
B00K C005 B00P B00U -66.13(15) . . . . ?
B00K C006 B00M B00P -104.05(13) . . . . ?
B00K C006 B00M B00R 37.23(12) . . . . ?
B00K C006 B00M B00T -2.11(17) . . . . ?
B00K C006 B00M B00U -64.82(16) . . . . ?
B00K C006 B00P C005 -32.26(11) . . . . ?
B00K C006 B00P B00M 106.39(13) . . . . ?
B00K C006 B00P B00N 4.10(15) . . . . ?
B00K C006 B00P B00U 66.91(14) . . . . ?
B00K C006 B00R B00M -141.43(13) . . . . ?
B00K C006 B00R B00Q -39.28(12) . . . . ?
B00K C006 B00R B00T -102.07(13) . . . . ?
B00K B00O B00Q B00R 37.48(12) . . . . ?
B00K B00O B00Q B00S 137.75(13) . . . . ?
B00K B00O B00Q B00T 100.58(13) . . . . ?
B00K B00O B00S B00N 100.82(13) . . . . ?
B00K B00O B00S B00Q -37.57(12) . . . . ?
B00K B00O B00S B00T -0.08(17) . . . . ?
B00K B00O B00S B00U 63.40(16) . . . . ?
B00K B00Q B00R C006 39.22(11) . . . . ?
B00K B00Q B00R B00M 100.46(13) . . . . ?
B00K B00Q B00R B00T 137.61(13) . . . . ?
B00K B00Q B00S B00N 0.44(17) . . . . ?
B00K B00Q B00S B00O 37.72(12) . . . . ?
B00K B00Q B00S B00T -100.38(13) . . . . ?
B00K B00Q B00S B00U -62.88(16) . . . . ?
B00K B00Q B00T B00M -0.43(18) . . . . ?
B00K B00Q B00T B00R -37.79(12) . . . . ?
B00K B00Q B00T B00S 100.59(14) . . . . ?
B00K B00Q B00T B00U 62.98(16) . . . . ?
B00K B00R B00T B00M -100.83(13) . . . . ?
B00K B00R B00T B00Q 37.64(12) . . . . ?
B00K B00R B00T B00S 0.27(17) . . . . ?
B00K B00R B00T B00U -63.47(16) . . . . ?
B00M C006 B00K C005 100.98(13) . . . . ?
B00M C006 B00K B00O 64.59(15) . . . . ?
B00M C006 B00K B00Q 1.86(17) . . . . ?
B00M C006 B00K B00R -37.61(13) . . . . ?
B00M C006 B00P C005 -138.65(12) . . . . ?
B00M C006 B00P B00N -102.29(13) . . . . ?
B00M C006 B00P B00U -39.49(12) . . . . ?
B00M C006 B00R B00K 141.43(13) . . . . ?
B00M C006 B00R B00Q 102.15(14) . . . . ?
B00M C006 B00R B00T 39.35(12) . . . . ?
B00M B00P B00U B00N -138.07(13) . . . . ?
B00M B00P B00U B00S -100.70(14) . . . . ?
B00M B00P B00U B00T -37.61(12) . . . . ?
B00M B00R B00T B00Q 138.47(13) . . . . ?
B00M B00R B00T B00S 101.10(14) . . . . ?
B00M B00R B00T B00U 37.36(12) . . . . ?
B00M B00T B00U B00N 101.43(13) . . . . ?
B00M B00T B00U B00P 37.86(12) . . . . ?
B00M B00T B00U B00S 138.57(13) . . . . ?
B00N C005 C006 C002 -147.24(13) . . . . ?
B00N C005 C006 B00K 106.32(13) . . . . ?
B00N C005 C006 B00M -0.56(16) . . . . ?
B00N C005 C006 B00P -39.30(12) . . . . ?
B00N C005 C006 B00R 67.58(15) . . . . ?
B00N C005 B00K C006 -100.72(13) . . . . ?
B00N C005 B00K B00O 37.22(12) . . . . ?
B00N C005 B00K B00Q -2.13(16) . . . . ?
B00N C005 B00K B00R -64.98(15) . . . . ?
B00N C005 B00O B00K -141.43(12) . . . . ?
B00N C005 B00O B00Q -102.28(13) . . . . ?
B00N C005 B00O B00S -39.33(12) . . . . ?
B00N C005 B00P C006 137.83(12) . . . . ?
B00N C005 B00P B00M 102.26(13) . . . . ?
B00N C005 B00P B00U 39.52(12) . . . . ?
B00N B00O B00Q B00K -100.43(13) . . . . ?
B00N B00O B00Q B00R -62.95(16) . . . . ?
B00N B00O B00Q B00S 37.32(12) . . . . ?
B00N B00O B00Q B00T 0.15(16) . . . . ?
B00N B00O B00S B00Q -138.39(13) . . . . ?
B00N B00O B00S B00T -100.90(14) . . . . ?
B00N B00O B00S B00U -37.42(13) . . . . ?
B00N B00P B00U B00M 138.07(13) . . . . ?
B00N B00P B00U B00S 37.37(13) . . . . ?
B00N B00P B00U B00T 100.46(14) . . . . ?
B00N B00S B00T B00M 0.20(17) . . . . ?
B00N B00S B00T B00Q -100.88(13) . . . . ?
B00N B00S B00T B00R -63.67(16) . . . . ?
B00N B00S B00T B00U 37.25(12) . . . . ?
B00N B00S B00U B00M -101.34(13) . . . . ?
B00N B00S B00U B00P -37.54(12) . . . . ?
B00N B00S B00U B00T -138.27(13) . . . . ?
B00O C005 C006 C002 145.42(13) . . . . ?
B00O C005 C006 B00K 38.99(11) . . . . ?
B00O C005 C006 B00M -67.89(15) . . . . ?
B00O C005 C006 B00P -106.63(13) . . . . ?
B00O C005 C006 B00R 0.25(16) . . . . ?
B00O C005 B00K C006 -137.94(12) . . . . ?
B00O C005 B00K B00Q -39.34(11) . . . . ?
B00O C005 B00K B00R -102.20(13) . . . . ?
B00O C005 B00N B00P 141.18(13) . . . . ?
B00O C005 B00N B00S 39.31(12) . . . . ?
B00O C005 B00N B00U 102.10(13) . . . . ?
B00O C005 B00P C006 100.35(13) . . . . ?
B00O C005 B00P B00M 64.78(16) . . . . ?
B00O C005 B00P B00N -37.48(13) . . . . ?
B00O C005 B00P B00U 2.04(17) . . . . ?
B00O B00K B00Q B00R -138.12(13) . . . . ?
B00O B00K B00Q B00S -37.57(12) . . . . ?
B00O B00K B00Q B00T -100.47(14) . . . . ?
B00O B00K B00R C006 -97.42(13) . . . . ?
B00O B00K B00R B00M -63.51(15) . . . . ?
B00O B00K B00R B00Q 37.63(12) . . . . ?
B00O B00K B00R B00T -0.32(16) . . . . ?
B00O B00N B00P C005 34.30(11) . . . . ?
B00O B00N B00P C006 -2.28(15) . . . . ?
B00O B00N B00P B00M -63.11(15) . . . . ?
B00O B00N B00P B00U -100.78(14) . . . . ?
B00O B00N B00S B00Q 37.12(12) . . . . ?
B00O B00N B00S B00T 100.70(14) . . . . ?
B00O B00N B00S B00U 138.05(13) . . . . ?
B00O B00N B00U B00M 62.89(16) . . . . ?
B00O B00N B00U B00P 100.63(13) . . . . ?
B00O B00N B00U B00S -37.46(12) . . . . ?
B00O B00N B00U B00T -0.38(17) . . . . ?
B00O B00Q B00R C006 1.71(17) . . . . ?
B00O B00Q B00R B00K -37.50(12) . . . . ?
B00O B00Q B00R B00M 62.96(15) . . . . ?
B00O B00Q B00R B00T 100.11(14) . . . . ?
B00O B00Q B00S B00N -37.28(12) . . . . ?
B00O B00Q B00S B00T -138.10(13) . . . . ?
B00O B00Q B00S B00U -100.60(13) . . . . ?
B00O B00Q B00T B00M -63.79(16) . . . . ?
B00O B00Q B00T B00R -101.14(13) . . . . ?
B00O B00Q B00T B00S 37.23(12) . . . . ?
B00O B00Q B00T B00U -0.38(16) . . . . ?
B00O B00S B00T B00M 63.75(17) . . . . ?
B00O B00S B00T B00Q -37.33(12) . . . . ?
B00O B00S B00T B00R -0.12(17) . . . . ?
B00O B00S B00T B00U 100.80(13) . . . . ?
B00O B00S B00U B00M -63.80(16) . . . . ?
B00O B00S B00U B00N 37.54(12) . . . . ?
B00O B00S B00U B00P 0.00(18) . . . . ?
B00O B00S B00U B00T -100.73(14) . . . . ?
B00P C005 C006 C002 -107.94(14) . . . . ?
B00P C005 C006 B00K 145.62(12) . . . . ?
B00P C005 C006 B00M 38.74(12) . . . . ?
B00P C005 C006 B00R 106.88(13) . . . . ?
B00P C005 B00K C006 -32.26(11) . . . . ?
B00P C005 B00K B00O 105.68(13) . . . . ?
B00P C005 B00K B00Q 66.33(15) . . . . ?
B00P C005 B00K B00R 3.48(16) . . . . ?
B00P C005 B00N B00O -141.18(13) . . . . ?
B00P C005 B00N B00S -101.87(14) . . . . ?
B00P C005 B00N B00U -39.08(12) . . . . ?
B00P C005 B00O B00K -104.13(13) . . . . ?
B00P C005 B00O B00N 37.30(13) . . . . ?
B00P C005 B00O B00Q -64.98(16) . . . . ?
B00P C005 B00O B00S -2.03(17) . . . . ?
B00P C006 B00K C005 32.17(11) . . . . ?
B00P C006 B00K B00O -4.22(15) . . . . ?
B00P C006 B00K B00Q -66.94(14) . . . . ?
B00P C006 B00K B00R -106.41(13) . . . . ?
B00P C006 B00M B00R 141.28(13) . . . . ?
B00P C006 B00M B00T 101.94(14) . . . . ?
B00P C006 B00M B00U 39.23(12) . . . . ?
B00P C006 B00R B00K 103.97(13) . . . . ?
B00P C006 B00R B00M -37.45(12) . . . . ?
B00P C006 B00R B00Q 64.69(15) . . . . ?
B00P C006 B00R B00T 1.90(16) . . . . ?
B00P B00M B00R C006 34.50(11) . . . . ?
B00P B00M B00R B00K 0.12(16) . . . . ?
B00P B00M B00R B00Q -62.98(15) . . . . ?
B00P B00M B00R B00T -100.35(14) . . . . ?
B00P B00M B00T B00Q 63.69(16) . . . . ?
B00P B00M B00T B00R 100.85(13) . . . . ?
B00P B00M B00T B00S -0.11(17) . . . . ?
B00P B00M B00T B00U -37.32(12) . . . . ?
B00P B00M B00U B00N 37.67(12) . . . . ?
B00P B00M B00U B00S 100.95(13) . . . . ?
B00P B00M B00U B00T 137.82(13) . . . . ?
B00P B00N B00O C005 -34.55(11) . . . . ?
B00P B00N B00O B00K -0.18(16) . . . . ?
B00P B00N B00O B00Q 62.97(15) . . . . ?
B00P B00N B00O B00S 100.49(14) . . . . ?
B00P B00N B00S B00O -100.91(13) . . . . ?
B00P B00N B00S B00Q -63.79(16) . . . . ?
B00P B00N B00S B00T -0.21(17) . . . . ?
B00P B00N B00S B00U 37.14(12) . . . . ?
B00P B00N B00U B00M -37.75(12) . . . . ?
B00P B00N B00U B00S -138.10(14) . . . . ?
B00P B00N B00U B00T -101.01(14) . . . . ?
B00Q B00K B00O C005 135.25(13) . . . . ?
B00Q B00K B00O B00N 101.29(13) . . . . ?
B00Q B00K B00O B00S 37.91(12) . . . . ?
B00Q B00K B00R C006 -135.06(13) . . . . ?
B00Q B00K B00R B00M -101.15(14) . . . . ?
B00Q B00K B00R B00T -37.96(12) . . . . ?
B00Q B00O B00S B00N 138.39(13) . . . . ?
B00Q B00O B00S B00T 37.48(12) . . . . ?
B00Q B00O B00S B00U 100.97(14) . . . . ?
B00Q B00R B00T B00M -138.47(13) . . . . ?
B00Q B00R B00T B00S -37.37(12) . . . . ?
B00Q B00R B00T B00U -101.11(14) . . . . ?
B00Q B00S B00T B00M 101.08(13) . . . . ?
B00Q B00S B00T B00R 37.21(12) . . . . ?
B00Q B00S B00T B00U 138.13(12) . . . . ?
B00Q B00S B00U B00M -0.58(16) . . . . ?
B00Q B00S B00U B00N 100.75(13) . . . . ?
B00Q B00S B00U B00P 63.22(16) . . . . ?
B00Q B00S B00U B00T -37.52(12) . . . . ?
B00Q B00T B00U B00M -100.96(13) . . . . ?
B00Q B00T B00U B00N 0.47(17) . . . . ?
B00Q B00T B00U B00P -63.10(16) . . . . ?
B00Q B00T B00U B00S 37.61(12) . . . . ?
B00R C006 B00K C005 138.58(12) . . . . ?
B00R C006 B00K B00O 102.19(13) . . . . ?
B00R C006 B00K B00Q 39.47(12) . . . . ?
B00R C006 B00M B00P -141.28(13) . . . . ?
B00R C006 B00M B00T -39.35(12) . . . . ?
B00R C006 B00M B00U -102.06(13) . . . . ?
B00R C006 B00P C005 -100.89(13) . . . . ?
B00R C006 B00P B00M 37.76(12) . . . . ?
B00R C006 B00P B00N -64.53(15) . . . . ?
B00R C006 B00P B00U -1.73(16) . . . . ?
B00R B00K B00O C005 97.59(12) . . . . ?
B00R B00K B00O B00N 63.63(15) . . . . ?
B00R B00K B00O B00Q -37.66(12) . . . . ?
B00R B00K B00O B00S 0.25(16) . . . . ?
B00R B00K B00Q B00O 138.12(13) . . . . ?
B00R B00K B00Q B00S 100.55(14) . . . . ?
B00R B00K B00Q B00T 37.66(12) . . . . ?
B00R B00M B00P C005 1.91(16) . . . . ?
B00R B00M B00P C006 -34.03(11) . . . . ?
B00R B00M B00P B00N 63.13(15) . . . . ?
B00R B00M B00P B00U 100.88(14) . . . . ?
B00R B00M B00T B00Q -37.16(12) . . . . ?
B00R B00M B00T B00S -100.96(14) . . . . ?
B00R B00M B00T B00U -138.17(13) . . . . ?
B00R B00M B00U B00N -62.81(15) . . . . ?
B00R B00M B00U B00P -100.48(13) . . . . ?
B00R B00M B00U B00S 0.47(15) . . . . ?
B00R B00M B00U B00T 37.34(11) . . . . ?
B00R B00Q B00S B00N 63.79(16) . . . . ?
B00R B00Q B00S B00O 101.07(13) . . . . ?
B00R B00Q B00S B00T -37.03(11) . . . . ?
B00R B00Q B00S B00U 0.47(16) . . . . ?
B00R B00Q B00T B00M 37.35(12) . . . . ?
B00R B00Q B00T B00S 138.37(13) . . . . ?
B00R B00Q B00T B00U 100.76(13) . . . . ?
B00R B00T B00U B00M -37.56(12) . . . . ?
B00R B00T B00U B00N 63.87(16) . . . . ?
B00R B00T B00U B00P 0.29(18) . . . . ?
B00R B00T B00U B00S 101.01(14) . . . . ?
B00S B00N B00O C005 -135.04(13) . . . . ?
B00S B00N B00O B00K -100.67(14) . . . . ?
B00S B00N B00O B00Q -37.52(12) . . . . ?
B00S B00N B00P C005 97.56(13) . . . . ?
B00S B00N B00P C006 60.97(14) . . . . ?
B00S B00N B00P B00M 0.14(17) . . . . ?
B00S B00N B00P B00U -37.53(12) . . . . ?
B00S B00N B00U B00M 100.35(14) . . . . ?
B00S B00N B00U B00P 138.10(14) . . . . ?
B00S B00N B00U B00T 37.09(12) . . . . ?
B00S B00O B00Q B00K -137.75(13) . . . . ?
B00S B00O B00Q B00R -100.27(14) . . . . ?
B00S B00O B00Q B00T -37.17(12) . . . . ?
B00S B00Q B00R C006 -61.42(15) . . . . ?
B00S B00Q B00R B00K -100.64(13) . . . . ?
B00S B00Q B00R B00M -0.18(15) . . . . ?
B00S B00Q B00R B00T 36.97(12) . . . . ?
B00S B00Q B00T B00M -101.02(14) . . . . ?
B00S B00Q B00T B00R -138.37(13) . . . . ?
B00S B00Q B00T B00U -37.61(12) . . . . ?
B00S B00T B00U B00M -138.57(13) . . . . ?
B00S B00T B00U B00N -37.14(12) . . . . ?
B00S B00T B00U B00P -100.72(14) . . . . ?
B00T B00M B00P C005 -61.24(15) . . . . ?
B00T B00M B00P C006 -97.18(13) . . . . ?
B00T B00M B00P B00N -0.02(17) . . . . ?
B00T B00M B00P B00U 37.73(12) . . . . ?
B00T B00M B00R C006 134.85(13) . . . . ?
B00T B00M B00R B00K 100.47(13) . . . . ?
B00T B00M B00R B00Q 37.37(11) . . . . ?
B00T B00M B00U B00N -100.15(14) . . . . ?
B00T B00M B00U B00P -137.82(13) . . . . ?
B00T B00M B00U B00S -36.87(12) . . . . ?
B00T B00Q B00R C006 -98.39(13) . . . . ?
B00T B00Q B00R B00K -137.61(13) . . . . ?
B00T B00Q B00R B00M -37.15(11) . . . . ?
B00T B00Q B00S B00N 100.82(14) . . . . ?
B00T B00Q B00S B00O 138.10(13) . . . . ?
B00T B00Q B00S B00U 37.50(11) . . . . ?
B00T B00S B00U B00M 36.93(11) . . . . ?
B00T B00S B00U B00N 138.27(13) . . . . ?
B00T B00S B00U B00P 100.73(14) . . . . ?
B00U B00M B00P C005 -98.97(13) . . . . ?
B00U B00M B00P C006 -134.91(13) . . . . ?
B00U B00M B00P B00N -37.75(12) . . . . ?
B00U B00M B00R C006 97.30(13) . . . . ?
B00U B00M B00R B00K 62.92(15) . . . . ?
B00U B00M B00R B00Q -0.18(15) . . . . ?
B00U B00M B00R B00T -37.55(12) . . . . ?
B00U B00M B00T B00Q 101.02(14) . . . . ?
B00U B00M B00T B00R 138.17(13) . . . . ?
B00U B00M B00T B00S 37.22(12) . . . . ?
B00U B00N B00O C005 -97.38(13) . . . . ?
B00U B00N B00O B00K -63.01(15) . . . . ?
B00U B00N B00O B00Q 0.14(16) . . . . ?
B00U B00N B00O B00S 37.66(12) . . . . ?
B00U B00N B00P C005 135.09(13) . . . . ?
B00U B00N B00P C006 98.51(13) . . . . ?
B00U B00N B00P B00M 37.68(12) . . . . ?
B00U B00N B00S B00O -138.05(13) . . . . ?
B00U B00N B00S B00Q -100.92(14) . . . . ?
B00U B00N B00S B00T -37.34(12) . . . . ?
B00U B00S B00T B00M -37.05(12) . . . . ?
B00U B00S B00T B00Q -138.13(12) . . . . ?
B00U B00S B00T B00R -100.92(13) . . . . ?

_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_dddsas_a
_database_code_depnum_ccdc_archive 'CCDC 2496932'
loop_
_audit_author_name
_audit_author_address
'Ju-You Lu'
;Hainan University
China
;
_audit_update_record             
;
2025-10-21 deposited with the CCDC.	2026-02-04 downloaded from the CCDC.
;
_audit_creation_date             2024-10-28
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C15 H21 B10 N)'
_chemical_formula_sum            'C30 H42 B20 N2'
_chemical_formula_weight         646.85
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/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                   6.6233(3)
_cell_length_b                   12.6036(6)
_cell_length_c                   44.544(2)
_cell_angle_alpha                90
_cell_angle_beta                 90.489(2)
_cell_angle_gamma                90
_cell_volume                     3718.3(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6312
_cell_measurement_temperature    193.0
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      2.44
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.058
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.2392
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1804 before and 0.1052 after correction.
The Ratio of minimum to maximum transmission is 0.3208.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.156
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1344
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0983
_diffrn_reflns_av_unetI/netI     0.0918
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       52
_diffrn_reflns_limit_l_min       -52
_diffrn_reflns_number            26081
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.996
_diffrn_reflns_theta_max         24.996
_diffrn_reflns_theta_min         1.857
_diffrn_ambient_temperature      193.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           40.0
_diffrn_source_power             1.8
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4684
_reflns_number_total             6513
_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 V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.277
_refine_diff_density_min         -0.322
_refine_diff_density_rms         0.061
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     477
_refine_ls_number_reflns         6513
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1090
_refine_ls_R_factor_gt           0.0802
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1059P)²+3.0251P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2112
_refine_ls_wR_factor_ref         0.2267
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Aromatic/amide H refined with riding coordinates:
 C002(H002), C006(H006), C00C(H00C), C00D(H00D), C00F(H00F), C00H(H00H),
 C00J(H00J), C00K(H00K), C00L(H00L), C00M(H00M), C00N(H00N), C00O(H00O),
 C00P(H00P), C00Q(H00Q), C01B(H01B), C01C(H01C), C01D(H01D), C01E(H01E),
 C01F(H01F), C01G(H01G)
1.b Boron cage BH refined with riding coordinates:
 B00R(H00R), B00S(H00S), B00T(H00T), B00U(H00U), B00V(H00V), B00W(H00W),
 B00X(H00X), B00Y(H00Y), B00Z(H00Z), B010(H010), B011(H011), B012(H012),
 B013(H013), B014(H014), B015(H015), B016(H016), B017(H017), B018(H018),
 B019(H019), B01A(H01A)
;
_atom_sites_solution_hydrogens   mixed
_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
N001 N -0.0103(5) -0.1088(2) 0.30543(6) 0.0483(8) Uani 1 1 d . . . . .
C002 C 0.8548(4) 0.6294(2) 0.46199(6) 0.0259(6) Uani 1 1 d . . . . .
H002 H 0.7498 0.5874 0.4535 0.031 Uiso 1 1 calc R U . . .
C003 C 0.2164(4) -0.0913(2) 0.26387(6) 0.0237(6) Uani 1 1 d . . . . .
N004 N 0.4749(5) 0.8093(3) 0.44519(6) 0.0536(9) Uani 1 1 d . . . . .
C005 C 1.0743(4) 0.5799(2) 0.41931(6) 0.0261(6) Uani 1 1 d . . . . .
C006 C 1.0279(4) 0.6344(2) 0.44754(6) 0.0269(7) Uani 1 1 d . . . . .
H006 H 1.1315 0.6769 0.4562 0.032 Uiso 1 1 calc R U . . .
C007 C 0.6224(4) 0.1308(2) 0.33323(6) 0.0271(7) Uani 1 1 d . . . . .
C008 C 0.3416(4) 0.0264(2) 0.26259(6) 0.0234(6) Uani 1 1 d . . . . .
C009 C 0.6429(4) 0.8468(2) 0.45755(6) 0.0281(7) Uani 1 1 d . . . . .
C00A C 0.8136(4) 0.6856(2) 0.49074(6) 0.0237(6) Uani 1 1 d . . . . .
C00B C 0.1658(4) -0.1388(2) 0.29415(6) 0.0275(7) Uani 1 1 d . . . . .
C00C C 0.3890(4) 0.0808(2) 0.29142(6) 0.0278(7) Uani 1 1 d . . . . .
H00C H 0.2861 0.1228 0.3002 0.033 Uiso 1 1 calc R U . . .
C00D C 0.5653(4) 0.0747(2) 0.30570(6) 0.0291(7) Uani 1 1 d . . . . .
H00D H 0.6641 0.0293 0.2972 0.035 Uiso 1 1 calc R U . . .
C00E C 0.6948(4) 0.8051(2) 0.48858(6) 0.0243(6) Uani 1 1 d . . . . .
C00F C 0.8224(5) 0.1266(3) 0.34315(7) 0.0328(7) Uani 1 1 d . . . . .
H00F H 0.9181 0.0868 0.3321 0.039 Uiso 1 1 calc R U . . .
C00G C 1.2738(5) 0.5692(3) 0.41041(6) 0.0312(7) Uani 1 1 d . . . . .
C00H C 1.1733(5) 0.4749(3) 0.36603(6) 0.0368(8) Uani 1 1 d . . . . .
H00H H 1.2066 0.4390 0.3480 0.044 Uiso 1 1 calc R U . . .
C00I C 0.9233(5) 0.5384(3) 0.40058(7) 0.0343(7) Uani 1 1 d . . . . .
C00J C 0.5462(5) 0.2433(3) 0.37568(6) 0.0357(8) Uani 1 1 d . . . . .
H00J H 0.4511 0.2832 0.3868 0.043 Uiso 1 1 calc R U . . .
C00K C 0.8839(5) 0.1798(3) 0.36897(7) 0.0383(8) Uani 1 1 d . . . . .
H00K H 1.0207 0.1759 0.3755 0.046 Uiso 1 1 calc R U . . .
C00L C 0.4849(5) 0.1904(3) 0.35001(7) 0.0345(7) Uani 1 1 d . . . . .
H00L H 0.3479 0.1945 0.3437 0.041 Uiso 1 1 calc R U . . .
C00M C 1.3231(5) 0.5160(3) 0.38415(7) 0.0384(8) Uani 1 1 d . . . . .
H00M H 1.4606 0.5080 0.3787 0.046 Uiso 1 1 calc R U . . .
C00N C 0.7460(5) 0.2384(3) 0.38529(7) 0.0373(8) Uani 1 1 d . . . . .
H00N H 0.7878 0.2750 0.4029 0.045 Uiso 1 1 calc R U . . .
C00O C 0.9730(5) 0.4863(3) 0.37434(7) 0.0392(8) Uani 1 1 d . . . . .
H00O H 0.8691 0.4581 0.3619 0.047 Uiso 1 1 calc R U . . .
C00P C 0.2904(6) -0.2121(3) 0.30755(7) 0.0445(9) Uani 1 1 d . . . . .
H00P H 0.4139 -0.2320 0.2984 0.053 Uiso 1 1 calc R U . . .
C00Q C 0.7599(6) 0.9220(3) 0.44414(8) 0.0506(10) Uani 1 1 d . . . . .
H00Q H 0.8780 0.9480 0.4539 0.061 Uiso 1 1 calc R U . . .
B00R B 0.0887(5) 0.0219(3) 0.25287(7) 0.0254(7) Uani 1 1 d . . . . .
H00R H -0.0334 0.0602 0.2663 0.030 Uiso 1 1 calc R U . . .
B00S B 0.0527(5) -0.1016(3) 0.23446(7) 0.0276(7) Uani 1 1 d . . . . .
H00S H -0.0950 -0.1446 0.2354 0.033 Uiso 1 1 calc R U . . .
B00T B 0.2873(5) -0.1707(3) 0.23473(7) 0.0278(8) Uani 1 1 d . . . . .
H00T H 0.2946 -0.2594 0.2359 0.033 Uiso 1 1 calc R U . . .
B00U B 0.9515(5) 0.8101(3) 0.53816(7) 0.0277(7) Uani 1 1 d . . . . .
H00U H 1.0806 0.8480 0.5505 0.033 Uiso 1 1 calc R U . . .
B00V B 0.5629(5) 0.6953(3) 0.50071(7) 0.0251(7) Uani 1 1 d . . . . .
H00V H 0.4365 0.6575 0.4877 0.030 Uiso 1 1 calc R U . . .
B00W B 0.5372(5) 0.8217(3) 0.51827(7) 0.0283(8) Uani 1 1 d . . . . .
H00W H 0.3922 0.8673 0.5173 0.034 Uiso 1 1 calc R U . . .
B00X B 0.8196(5) 0.6982(3) 0.55286(7) 0.0283(8) Uani 1 1 d . . . . .
H00X H 0.8612 0.6625 0.5751 0.034 Uiso 1 1 calc R U . . .
B00Y B 0.2642(5) 0.0975(3) 0.23193(7) 0.0291(8) Uani 1 1 d . . . . .
H00Y H 0.2567 0.1862 0.2312 0.035 Uiso 1 1 calc R U . . .
B00Z B 0.0834(5) 0.0167(3) 0.21319(7) 0.0275(7) Uani 1 1 d . . . . .
H00Z H -0.0439 0.0518 0.1998 0.033 Uiso 1 1 calc R U . . .
B010 B 0.9472(5) 0.7996(3) 0.49853(7) 0.0256(7) Uani 1 1 d . . . . .
H010 H 1.0722 0.8302 0.4841 0.031 Uiso 1 1 calc R U . . .
B011 B 0.6969(5) 0.8234(3) 0.55022(8) 0.0307(8) Uani 1 1 d . . . . .
H011 H 0.6579 0.8703 0.5707 0.037 Uiso 1 1 calc R U . . .
B012 B 0.7366(5) 0.6188(3) 0.52212(7) 0.0264(7) Uani 1 1 d . . . . .
H012 H 0.7239 0.5304 0.5237 0.032 Uiso 1 1 calc R U . . .
B013 B 0.5639(5) 0.7049(3) 0.54018(7) 0.0289(8) Uani 1 1 d . . . . .
H013 H 0.4363 0.6733 0.5539 0.035 Uiso 1 1 calc R U . . .
B014 B 0.4986(5) 0.0292(3) 0.23232(7) 0.0305(8) Uani 1 1 d . . . . .
H014 H 0.6457 0.0730 0.2319 0.037 Uiso 1 1 calc R U . . .
B015 B 0.3377(5) 0.0205(3) 0.20033(7) 0.0317(8) Uani 1 1 d . . . . .
H015 H 0.3783 0.0579 0.1784 0.038 Uiso 1 1 calc R U . . .
B016 B 0.7745(5) 0.8863(3) 0.51679(7) 0.0279(7) Uani 1 1 d . . . . .
H016 H 0.7864 0.9746 0.5147 0.033 Uiso 1 1 calc R U . . .
B017 B 0.4672(5) -0.0890(3) 0.25356(7) 0.0276(7) Uani 1 1 d . . . . .
H017 H 0.5926 -0.1232 0.2675 0.033 Uiso 1 1 calc R U . . .
B018 B 0.2069(5) -0.1027(3) 0.20204(7) 0.0295(8) Uani 1 1 d . . . . .
H018 H 0.1611 -0.1466 0.1812 0.035 Uiso 1 1 calc R U . . .
B019 B 0.9756(5) 0.6834(3) 0.52079(7) 0.0283(8) Uani 1 1 d . . . . .
H019 H 1.1203 0.6374 0.5215 0.034 Uiso 1 1 calc R U . . .
B01A B 0.4653(5) -0.0952(3) 0.21393(8) 0.0312(8) Uani 1 1 d . . . . .
H01A H 0.5903 -0.1339 0.2012 0.037 Uiso 1 1 calc R U . . .
C01B C 0.5351(7) 0.9205(3) 0.40266(8) 0.0600(12) Uani 1 1 d . . . . .
H01B H 0.4947 0.9434 0.3832 0.072 Uiso 1 1 calc R U . . .
C01C C 0.7036(7) 0.9598(3) 0.41603(8) 0.0624(12) Uani 1 1 d . . . . .
H01C H 0.7820 1.0125 0.4063 0.075 Uiso 1 1 calc R U . . .
C01D C 0.2329(7) -0.2563(3) 0.33453(8) 0.0598(11) Uani 1 1 d . . . . .
H01D H 0.3174 -0.3064 0.3444 0.072 Uiso 1 1 calc R U . . .
C01E C 0.0522(7) -0.2269(3) 0.34685(8) 0.0624(12) Uani 1 1 d . . . . .
H01E H 0.0086 -0.2559 0.3654 0.075 Uiso 1 1 calc R U . . .
C01F C 0.4249(7) 0.8469(4) 0.41798(9) 0.0718(14) Uani 1 1 d . . . . .
H01F H 0.3051 0.8207 0.4087 0.086 Uiso 1 1 calc R U . . .
C01G C -0.0638(7) -0.1541(4) 0.33153(9) 0.0683(13) Uani 1 1 d . . . . .
H01G H -0.1898 -0.1346 0.3399 0.082 Uiso 1 1 calc R U . . .
H00G H 1.382(5) 0.600(3) 0.4221(8) 0.046(10) Uiso 1 1 d . . . . .
H00I H 0.775(5) 0.544(3) 0.4071(8) 0.050(10) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
N001 C00B 1.329(4) . ?
N001 C01G 1.346(5) . ?
C002 H002 0.9500 . ?
C002 C006 1.321(4) . ?
C002 C00A 1.491(4) . ?
C003 C008 1.701(4) . ?
C003 C00B 1.516(4) . ?
C003 B00R 1.727(4) . ?
C003 B00S 1.698(4) . ?
C003 B00T 1.708(4) . ?
C003 B017 1.728(4) . ?
N004 C009 1.324(4) . ?
N004 C01F 1.341(4) . ?
C005 C006 1.467(4) . ?
C005 C00G 1.389(4) . ?
C005 C00I 1.399(4) . ?
C006 H006 0.9500 . ?
C007 C00D 1.463(4) . ?
C007 C00F 1.394(4) . ?
C007 C00L 1.401(4) . ?
C008 C00C 1.487(4) . ?
C008 B00R 1.727(4) . ?
C008 B00Y 1.708(4) . ?
C008 B014 1.710(4) . ?
C008 B017 1.725(4) . ?
C009 C00E 1.516(4) . ?
C009 C00Q 1.365(5) . ?
C00A C00E 1.701(4) . ?
C00A B00V 1.727(4) . ?
C00A B010 1.721(4) . ?
C00A B012 1.713(4) . ?
C00A B019 1.708(4) . ?
C00B C00P 1.372(4) . ?
C00C H00C 0.9500 . ?
C00C C00D 1.327(4) . ?
C00D H00D 0.9500 . ?
C00E B00V 1.726(4) . ?
C00E B00W 1.705(4) . ?
C00E B010 1.727(4) . ?
C00E B016 1.701(4) . ?
C00F H00F 0.9500 . ?
C00F C00K 1.389(4) . ?
C00G C00M 1.390(4) . ?
C00G H00G 0.96(3) . ?
C00H H00H 0.9500 . ?
C00H C00M 1.374(4) . ?
C00H C00O 1.388(5) . ?
C00I C00O 1.383(4) . ?
C00I H00I 1.03(4) . ?
C00J H00J 0.9500 . ?
C00J C00L 1.381(4) . ?
C00J C00N 1.388(5) . ?
C00K H00K 0.9500 . ?
C00K C00N 1.386(5) . ?
C00L H00L 0.9500 . ?
C00M H00M 0.9500 . ?
C00N H00N 0.9500 . ?
C00O H00O 0.9500 . ?
C00P H00P 0.9500 . ?
C00P C01D 1.382(5) . ?
C00Q H00Q 0.9500 . ?
C00Q C01C 1.388(5) . ?
B00R H00R 1.1200 . ?
B00R B00S 1.774(5) . ?
B00R B00Y 1.774(5) . ?
B00R B00Z 1.769(4) . ?
B00S H00S 1.1200 . ?
B00S B00T 1.781(5) . ?
B00S B00Z 1.778(5) . ?
B00S B018 1.776(5) . ?
B00T H00T 1.1200 . ?
B00T B017 1.780(4) . ?
B00T B018 1.767(4) . ?
B00T B01A 1.781(5) . ?
B00U H00U 1.1200 . ?
B00U B00X 1.786(5) . ?
B00U B010 1.770(5) . ?
B00U B011 1.782(5) . ?
B00U B016 1.785(5) . ?
B00U B019 1.782(5) . ?
B00V H00V 1.1200 . ?
B00V B00W 1.784(5) . ?
B00V B012 1.773(4) . ?
B00V B013 1.762(4) . ?
B00W H00W 1.1200 . ?
B00W B011 1.766(4) . ?
B00W B013 1.774(5) . ?
B00W B016 1.772(5) . ?
B00X H00X 1.1200 . ?
B00X B011 1.778(5) . ?
B00X B012 1.779(4) . ?
B00X B013 1.783(4) . ?
B00X B019 1.780(5) . ?
B00Y H00Y 1.1200 . ?
B00Y B00Z 1.775(5) . ?
B00Y B014 1.775(5) . ?
B00Y B015 1.781(5) . ?
B00Z H00Z 1.1200 . ?
B00Z B015 1.784(5) . ?
B00Z B018 1.785(5) . ?
B010 H010 1.1200 . ?
B010 B016 1.783(5) . ?
B010 B019 1.778(5) . ?
B011 H011 1.1200 . ?
B011 B013 1.789(5) . ?
B011 B016 1.767(5) . ?
B012 H012 1.1200 . ?
B012 B013 1.775(5) . ?
B012 B019 1.781(5) . ?
B013 H013 1.1200 . ?
B014 H014 1.1200 . ?
B014 B015 1.775(5) . ?
B014 B017 1.778(5) . ?
B014 B01A 1.782(5) . ?
B015 H015 1.1200 . ?
B015 B018 1.780(5) . ?
B015 B01A 1.789(5) . ?
B016 H016 1.1200 . ?
B017 H017 1.1200 . ?
B017 B01A 1.767(5) . ?
B018 H018 1.1200 . ?
B018 B01A 1.789(4) . ?
B019 H019 1.1200 . ?
B01A H01A 1.1200 . ?
C01B H01B 0.9500 . ?
C01B C01C 1.355(6) . ?
C01B C01F 1.366(6) . ?
C01C H01C 0.9500 . ?
C01D H01D 0.9500 . ?
C01D C01E 1.372(6) . ?
C01E H01E 0.9500 . ?
C01E C01G 1.373(6) . ?
C01F H01F 0.9500 . ?
C01G H01G 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
C00B N001 C01G 116.4(3) . . ?
C006 C002 H002 117.9 . . ?
C006 C002 C00A 124.2(2) . . ?
C00A C002 H002 117.9 . . ?
C008 C003 B00R 60.51(16) . . ?
C008 C003 B00T 110.4(2) . . ?
C008 C003 B017 60.43(17) . . ?
C00B C003 C008 119.1(2) . . ?
C00B C003 B00R 117.8(2) . . ?
C00B C003 B00S 120.8(2) . . ?
C00B C003 B00T 120.6(2) . . ?
C00B C003 B017 117.6(2) . . ?
B00R C003 B017 112.4(2) . . ?
B00S C003 C008 110.4(2) . . ?
B00S C003 B00R 62.38(18) . . ?
B00S C003 B00T 63.04(18) . . ?
B00S C003 B017 113.9(2) . . ?
B00T C003 B00R 113.9(2) . . ?
B00T C003 B017 62.39(18) . . ?
C009 N004 C01F 116.7(3) . . ?
C00G C005 C006 119.8(2) . . ?
C00G C005 C00I 118.0(3) . . ?
C00I C005 C006 122.2(3) . . ?
C002 C006 C005 125.8(3) . . ?
C002 C006 H006 117.1 . . ?
C005 C006 H006 117.1 . . ?
C00F C007 C00D 119.1(3) . . ?
C00F C007 C00L 118.1(3) . . ?
C00L C007 C00D 122.8(3) . . ?
C003 C008 B00R 60.50(16) . . ?
C003 C008 B00Y 110.0(2) . . ?
C003 C008 B014 110.1(2) . . ?
C003 C008 B017 60.56(17) . . ?
C00C C008 C003 118.2(2) . . ?
C00C C008 B00R 115.4(2) . . ?
C00C C008 B00Y 120.6(2) . . ?
C00C C008 B014 123.1(2) . . ?
C00C C008 B017 119.4(2) . . ?
B00Y C008 B00R 62.19(18) . . ?
B00Y C008 B014 62.56(19) . . ?
B00Y C008 B017 113.4(2) . . ?
B014 C008 B00R 113.5(2) . . ?
B014 C008 B017 62.33(19) . . ?
B017 C008 B00R 112.5(2) . . ?
N004 C009 C00E 116.0(3) . . ?
N004 C009 C00Q 122.9(3) . . ?
C00Q C009 C00E 121.0(3) . . ?
C002 C00A C00E 117.4(2) . . ?
C002 C00A B00V 115.9(2) . . ?
C002 C00A B010 118.2(2) . . ?
C002 C00A B012 121.7(2) . . ?
C002 C00A B019 123.2(2) . . ?
C00E C00A B00V 60.47(17) . . ?
C00E C00A B010 60.61(17) . . ?
C00E C00A B012 109.9(2) . . ?
C00E C00A B019 110.3(2) . . ?
B010 C00A B00V 112.5(2) . . ?
B012 C00A B00V 62.04(18) . . ?
B012 C00A B010 113.7(2) . . ?
B019 C00A B00V 113.5(2) . . ?
B019 C00A B010 62.47(18) . . ?
B019 C00A B012 62.74(18) . . ?
N001 C00B C003 115.2(3) . . ?
N001 C00B C00P 123.6(3) . . ?
C00P C00B C003 121.1(3) . . ?
C008 C00C H00C 117.8 . . ?
C00D C00C C008 124.4(3) . . ?
C00D C00C H00C 117.8 . . ?
C007 C00D H00D 116.8 . . ?
C00C C00D C007 126.4(3) . . ?
C00C C00D H00D 116.8 . . ?
C009 C00E C00A 117.4(2) . . ?
C009 C00E B00V 116.9(2) . . ?
C009 C00E B00W 121.9(2) . . ?
C009 C00E B010 117.4(2) . . ?
C009 C00E B016 122.1(2) . . ?
C00A C00E B00V 60.52(17) . . ?
C00A C00E B00W 110.5(2) . . ?
C00A C00E B010 60.27(17) . . ?
C00A C00E B016 110.5(2) . . ?
B00V C00E B010 112.3(2) . . ?
B00W C00E B00V 62.65(19) . . ?
B00W C00E B010 113.8(2) . . ?
B016 C00E B00V 113.9(2) . . ?
B016 C00E B00W 62.69(19) . . ?
B016 C00E B010 62.69(18) . . ?
C007 C00F H00F 119.5 . . ?
C00K C00F C007 121.0(3) . . ?
C00K C00F H00F 119.5 . . ?
C005 C00G C00M 121.2(3) . . ?
C005 C00G H00G 121(2) . . ?
C00M C00G H00G 118(2) . . ?
C00M C00H H00H 120.3 . . ?
C00M C00H C00O 119.4(3) . . ?
C00O C00H H00H 120.3 . . ?
C005 C00I H00I 119.0(19) . . ?
C00O C00I C005 120.5(3) . . ?
C00O C00I H00I 120(2) . . ?
C00L C00J H00J 119.8 . . ?
C00L C00J C00N 120.4(3) . . ?
C00N C00J H00J 119.8 . . ?
C00F C00K H00K 119.9 . . ?
C00N C00K C00F 120.1(3) . . ?
C00N C00K H00K 119.9 . . ?
C007 C00L H00L 119.6 . . ?
C00J C00L C007 120.8(3) . . ?
C00J C00L H00L 119.6 . . ?
C00G C00M H00M 119.9 . . ?
C00H C00M C00G 120.2(3) . . ?
C00H C00M H00M 119.9 . . ?
C00J C00N H00N 120.3 . . ?
C00K C00N C00J 119.5(3) . . ?
C00K C00N H00N 120.3 . . ?
C00H C00O H00O 119.7 . . ?
C00I C00O C00H 120.7(3) . . ?
C00I C00O H00O 119.7 . . ?
C00B C00P H00P 120.6 . . ?
C00B C00P C01D 118.7(4) . . ?
C01D C00P H00P 120.6 . . ?
C009 C00Q H00Q 120.5 . . ?
C009 C00Q C01C 119.0(3) . . ?
C01C C00Q H00Q 120.5 . . ?
C003 B00R H00R 123.9 . . ?
C003 B00R B00S 58.02(17) . . ?
C003 B00R B00Y 105.7(2) . . ?
C003 B00R B00Z 105.0(2) . . ?
C008 B00R C003 58.99(16) . . ?
C008 B00R H00R 123.7 . . ?
C008 B00R B00S 105.7(2) . . ?
C008 B00R B00Y 58.38(17) . . ?
C008 B00R B00Z 105.2(2) . . ?
B00S B00R H00R 122.0 . . ?
B00Y B00R H00R 122.0 . . ?
B00Y B00R B00S 108.3(2) . . ?
B00Z B00R H00R 122.9 . . ?
B00Z B00R B00S 60.26(18) . . ?
B00Z B00R B00Y 60.14(18) . . ?
C003 B00S B00R 59.60(17) . . ?
C003 B00S H00S 124.0 . . ?
C003 B00S B00T 58.74(17) . . ?
C003 B00S B00Z 105.8(2) . . ?
C003 B00S B018 105.1(2) . . ?
B00R B00S H00S 121.4 . . ?
B00R B00S B00T 108.2(2) . . ?
B00R B00S B00Z 59.73(18) . . ?
B00R B00S B018 107.9(2) . . ?
B00T B00S H00S 121.7 . . ?
B00Z B00S H00S 122.0 . . ?
B00Z B00S B00T 108.1(2) . . ?
B018 B00S H00S 122.5 . . ?
B018 B00S B00T 59.60(18) . . ?
B018 B00S B00Z 60.30(19) . . ?
C003 B00T B00S 58.22(17) . . ?
C003 B00T H00T 124.3 . . ?
C003 B00T B017 59.35(17) . . ?
C003 B00T B018 105.0(2) . . ?
C003 B00T B01A 105.7(2) . . ?
B00S B00T H00T 121.7 . . ?
B00S B00T B01A 108.4(2) . . ?
B017 B00T B00S 107.5(2) . . ?
B017 B00T H00T 121.8 . . ?
B017 B00T B01A 59.50(19) . . ?
B018 B00T B00S 60.06(18) . . ?
B018 B00T H00T 122.2 . . ?
B018 B00T B017 107.7(2) . . ?
B018 B00T B01A 60.56(19) . . ?
B01A B00T H00T 121.8 . . ?
B00X B00U H00U 122.1 . . ?
B010 B00U H00U 121.8 . . ?
B010 B00U B00X 107.6(2) . . ?
B010 B00U B011 107.5(2) . . ?
B010 B00U B016 60.21(18) . . ?
B010 B00U B019 60.07(18) . . ?
B011 B00U H00U 122.2 . . ?
B011 B00U B00X 59.80(19) . . ?
B011 B00U B016 59.40(19) . . ?
B011 B00U B019 107.7(2) . . ?
B016 B00U H00U 121.9 . . ?
B016 B00U B00X 107.4(2) . . ?
B019 B00U H00U 121.6 . . ?
B019 B00U B00X 59.85(19) . . ?
B019 B00U B016 108.2(2) . . ?
C00A B00V H00V 123.6 . . ?
C00A B00V B00W 105.7(2) . . ?
C00A B00V B012 58.60(17) . . ?
C00A B00V B013 105.4(2) . . ?
C00E B00V C00A 59.02(17) . . ?
C00E B00V H00V 123.8 . . ?
C00E B00V B00W 58.09(18) . . ?
C00E B00V B012 106.0(2) . . ?
C00E B00V B013 105.0(2) . . ?
B00W B00V H00V 122.2 . . ?
B012 B00V H00V 121.8 . . ?
B012 B00V B00W 108.3(2) . . ?
B013 B00V H00V 122.9 . . ?
B013 B00V B00W 60.03(19) . . ?
B013 B00V B012 60.26(18) . . ?
C00E B00W B00V 59.26(17) . . ?
C00E B00W H00W 124.3 . . ?
C00E B00W B011 105.1(2) . . ?
C00E B00W B013 105.4(2) . . ?
C00E B00W B016 58.55(18) . . ?
B00V B00W H00W 121.8 . . ?
B011 B00W B00V 107.8(2) . . ?
B011 B00W H00W 122.2 . . ?
B011 B00W B013 60.69(19) . . ?
B011 B00W B016 59.94(19) . . ?
B013 B00W B00V 59.38(19) . . ?
B013 B00W H00W 121.9 . . ?
B016 B00W B00V 107.8(2) . . ?
B016 B00W H00W 121.5 . . ?
B016 B00W B013 108.5(2) . . ?
B00U B00X H00X 121.6 . . ?
B011 B00X B00U 60.00(19) . . ?
B011 B00X H00X 121.6 . . ?
B011 B00X B012 108.1(2) . . ?
B011 B00X B013 60.30(19) . . ?
B011 B00X B019 108.0(2) . . ?
B012 B00X B00U 108.1(2) . . ?
B012 B00X H00X 121.7 . . ?
B012 B00X B013 59.77(18) . . ?
B012 B00X B019 60.07(18) . . ?
B013 B00X B00U 108.2(2) . . ?
B013 B00X H00X 121.7 . . ?
B019 B00X B00U 59.97(19) . . ?
B019 B00X H00X 121.8 . . ?
B019 B00X B013 107.9(2) . . ?
C008 B00Y B00R 59.43(17) . . ?
C008 B00Y H00Y 124.0 . . ?
C008 B00Y B00Z 105.8(2) . . ?
C008 B00Y B014 58.77(18) . . ?
C008 B00Y B015 105.3(2) . . ?
B00R B00Y H00Y 121.5 . . ?
B00R B00Y B00Z 59.78(18) . . ?
B00R B00Y B014 108.1(2) . . ?
B00R B00Y B015 107.9(2) . . ?
B00Z B00Y H00Y 122.0 . . ?
B00Z B00Y B015 60.23(19) . . ?
B014 B00Y H00Y 121.5 . . ?
B014 B00Y B00Z 108.2(2) . . ?
B014 B00Y B015 59.90(19) . . ?
B015 B00Y H00Y 122.3 . . ?
B00R B00Z B00S 60.01(18) . . ?
B00R B00Z B00Y 60.07(18) . . ?
B00R B00Z H00Z 121.7 . . ?
B00R B00Z B015 108.0(2) . . ?
B00R B00Z B018 107.7(2) . . ?
B00S B00Z H00Z 121.8 . . ?
B00S B00Z B015 107.8(2) . . ?
B00S B00Z B018 59.78(19) . . ?
B00Y B00Z B00S 108.1(2) . . ?
B00Y B00Z H00Z 121.7 . . ?
B00Y B00Z B015 60.04(19) . . ?
B00Y B00Z B018 107.8(2) . . ?
B015 B00Z H00Z 121.8 . . ?
B015 B00Z B018 59.83(19) . . ?
B018 B00Z H00Z 122.0 . . ?
C00A B010 C00E 59.12(16) . . ?
C00A B010 B00U 105.5(2) . . ?
C00A B010 H010 123.6 . . ?
C00A B010 B016 105.8(2) . . ?
C00A B010 B019 58.42(17) . . ?
C00E B010 B00U 105.1(2) . . ?
C00E B010 H010 123.9 . . ?
C00E B010 B016 57.95(17) . . ?
C00E B010 B019 105.9(2) . . ?
B00U B010 H010 122.7 . . ?
B00U B010 B016 60.29(19) . . ?
B00U B010 B019 60.29(19) . . ?
B016 B010 H010 122.1 . . ?
B019 B010 H010 121.9 . . ?
B019 B010 B016 108.4(2) . . ?
B00U B011 H011 121.4 . . ?
B00U B011 B013 108.1(2) . . ?
B00W B011 B00U 108.5(2) . . ?
B00W B011 B00X 108.2(2) . . ?
B00W B011 H011 121.5 . . ?
B00W B011 B013 59.87(18) . . ?
B00W B011 B016 60.19(18) . . ?
B00X B011 B00U 60.21(19) . . ?
B00X B011 H011 121.5 . . ?
B00X B011 B013 59.97(19) . . ?
B013 B011 H011 121.9 . . ?
B016 B011 B00U 60.38(19) . . ?
B016 B011 B00X 108.5(2) . . ?
B016 B011 H011 121.4 . . ?
B016 B011 B013 108.1(2) . . ?
C00A B012 B00V 59.37(17) . . ?
C00A B012 B00X 105.0(2) . . ?
C00A B012 H012 124.2 . . ?
C00A B012 B013 105.5(2) . . ?
C00A B012 B019 58.50(17) . . ?
B00V B012 B00X 107.7(2) . . ?
B00V B012 H012 121.7 . . ?
B00V B012 B013 59.57(18) . . ?
B00V B012 B019 107.9(2) . . ?
B00X B012 H012 122.4 . . ?
B00X B012 B019 59.99(18) . . ?
B013 B012 B00X 60.22(19) . . ?
B013 B012 H012 122.1 . . ?
B013 B012 B019 108.2(2) . . ?
B019 B012 H012 121.6 . . ?
B00V B013 B00W 60.59(18) . . ?
B00V B013 B00X 108.0(2) . . ?
B00V B013 B011 107.7(2) . . ?
B00V B013 B012 60.16(18) . . ?
B00V B013 H013 121.5 . . ?
B00W B013 B00X 107.7(2) . . ?
B00W B013 B011 59.43(19) . . ?
B00W B013 H013 121.6 . . ?
B00X B013 B011 59.73(19) . . ?
B00X B013 H013 122.0 . . ?
B011 B013 H013 122.2 . . ?
B012 B013 B00W 108.6(2) . . ?
B012 B013 B00X 60.02(18) . . ?
B012 B013 B011 107.8(2) . . ?
B012 B013 H013 121.4 . . ?
C008 B014 B00Y 58.66(17) . . ?
C008 B014 H014 124.0 . . ?
C008 B014 B015 105.5(2) . . ?
C008 B014 B017 59.25(18) . . ?
C008 B014 B01A 105.7(2) . . ?
B00Y B014 H014 121.5 . . ?
B00Y B014 B015 60.22(19) . . ?
B00Y B014 B017 107.8(2) . . ?
B00Y B014 B01A 108.5(2) . . ?
B015 B014 H014 122.1 . . ?
B015 B014 B017 107.7(2) . . ?
B015 B014 B01A 60.37(19) . . ?
B017 B014 H014 121.9 . . ?
B017 B014 B01A 59.51(19) . . ?
B01A B014 H014 122.0 . . ?
B00Y B015 B00Z 59.73(19) . . ?
B00Y B015 H015 122.0 . . ?
B00Y B015 B01A 107.9(2) . . ?
B00Z B015 H015 121.7 . . ?
B00Z B015 B01A 108.3(2) . . ?
B014 B015 B00Y 59.88(18) . . ?
B014 B015 B00Z 107.8(2) . . ?
B014 B015 H015 121.8 . . ?
B014 B015 B018 108.0(2) . . ?
B014 B015 B01A 60.00(19) . . ?
B018 B015 B00Y 107.8(2) . . ?
B018 B015 B00Z 60.11(19) . . ?
B018 B015 H015 121.7 . . ?
B018 B015 B01A 60.18(19) . . ?
B01A B015 H015 121.5 . . ?
C00E B016 B00U 105.6(2) . . ?
C00E B016 B00W 58.76(18) . . ?
C00E B016 B010 59.36(17) . . ?
C00E B016 B011 105.2(2) . . ?
C00E B016 H016 124.0 . . ?
B00U B016 H016 122.2 . . ?
B00W B016 B00U 108.2(2) . . ?
B00W B016 B010 107.9(2) . . ?
B00W B016 H016 121.6 . . ?
B010 B016 B00U 59.49(18) . . ?
B010 B016 H016 121.7 . . ?
B011 B016 B00U 60.22(19) . . ?
B011 B016 B00W 59.87(19) . . ?
B011 B016 B010 107.6(2) . . ?
B011 B016 H016 122.4 . . ?
C003 B017 B00T 58.26(17) . . ?
C003 B017 B014 105.8(2) . . ?
C003 B017 H017 123.8 . . ?
C003 B017 B01A 105.4(2) . . ?
C008 B017 C003 59.01(17) . . ?
C008 B017 B00T 106.0(2) . . ?
C008 B017 B014 58.41(18) . . ?
C008 B017 H017 123.5 . . ?
C008 B017 B01A 105.7(2) . . ?
B00T B017 H017 122.0 . . ?
B014 B017 B00T 108.3(2) . . ?
B014 B017 H017 122.0 . . ?
B01A B017 B00T 60.29(19) . . ?
B01A B017 B014 60.36(19) . . ?
B01A B017 H017 122.5 . . ?
B00S B018 B00Z 59.92(19) . . ?
B00S B018 B015 108.1(2) . . ?
B00S B018 H018 121.6 . . ?
B00S B018 B01A 108.3(2) . . ?
B00T B018 B00S 60.34(18) . . ?
B00T B018 B00Z 108.4(2) . . ?
B00T B018 B015 108.4(2) . . ?
B00T B018 H018 121.4 . . ?
B00T B018 B01A 60.10(19) . . ?
B00Z B018 H018 121.6 . . ?
B00Z B018 B01A 108.2(2) . . ?
B015 B018 B00Z 60.07(19) . . ?
B015 B018 H018 121.6 . . ?
B015 B018 B01A 60.1(2) . . ?
B01A B018 H018 121.6 . . ?
C00A B019 B00U 105.5(2) . . ?
C00A B019 B00X 105.2(2) . . ?
C00A B019 B010 59.11(17) . . ?
C00A B019 B012 58.76(17) . . ?
C00A B019 H019 124.1 . . ?
B00U B019 H019 122.1 . . ?
B00X B019 B00U 60.18(19) . . ?
B00X B019 B012 59.95(18) . . ?
B00X B019 H019 122.4 . . ?
B010 B019 B00U 59.64(19) . . ?
B010 B019 B00X 107.6(2) . . ?
B010 B019 B012 107.8(2) . . ?
B010 B019 H019 121.8 . . ?
B012 B019 B00U 108.2(2) . . ?
B012 B019 H019 121.6 . . ?
B00T B01A B014 108.1(2) . . ?
B00T B01A B015 107.4(2) . . ?
B00T B01A B018 59.35(18) . . ?
B00T B01A H01A 121.8 . . ?
B014 B01A B015 59.63(19) . . ?
B014 B01A B018 107.3(2) . . ?
B014 B01A H01A 121.8 . . ?
B015 B01A B018 59.67(19) . . ?
B015 B01A H01A 122.2 . . ?
B017 B01A B00T 60.21(19) . . ?
B017 B01A B014 60.13(19) . . ?
B017 B01A B015 107.6(2) . . ?
B017 B01A B018 107.3(2) . . ?
B017 B01A H01A 121.8 . . ?
B018 B01A H01A 122.4 . . ?
C01C C01B H01B 121.0 . . ?
C01C C01B C01F 118.0(3) . . ?
C01F C01B H01B 121.0 . . ?
C00Q C01C H01C 120.5 . . ?
C01B C01C C00Q 119.0(4) . . ?
C01B C01C H01C 120.5 . . ?
C00P C01D H01D 120.4 . . ?
C01E C01D C00P 119.2(4) . . ?
C01E C01D H01D 120.4 . . ?
C01D C01E H01E 121.1 . . ?
C01D C01E C01G 117.9(4) . . ?
C01G C01E H01E 121.1 . . ?
N004 C01F C01B 124.3(4) . . ?
N004 C01F H01F 117.9 . . ?
C01B C01F H01F 117.9 . . ?
N001 C01G C01E 124.2(4) . . ?
N001 C01G H01G 117.9 . . ?
C01E C01G H01G 117.9 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N001 C00B C00P C01D -1.2(5) . . . . ?
C002 C00A C00E C009 -1.1(3) . . . . ?
C002 C00A C00E B00V 105.8(3) . . . . ?
C002 C00A C00E B00W 145.0(2) . . . . ?
C002 C00A C00E B010 -108.6(3) . . . . ?
C002 C00A C00E B016 -147.5(2) . . . . ?
C002 C00A B00V C00E -108.2(3) . . . . ?
C002 C00A B00V B00W -144.1(2) . . . . ?
C002 C00A B00V B012 113.8(3) . . . . ?
C002 C00A B00V B013 153.3(2) . . . . ?
C002 C00A B010 C00E 107.3(3) . . . . ?
C002 C00A B010 B00U -154.2(2) . . . . ?
C002 C00A B010 B016 143.0(2) . . . . ?
C002 C00A B010 B019 -114.9(3) . . . . ?
C002 C00A B012 B00V -104.7(3) . . . . ?
C002 C00A B012 B00X 153.4(2) . . . . ?
C002 C00A B012 B013 -144.0(2) . . . . ?
C002 C00A B012 B019 113.9(3) . . . . ?
C002 C00A B019 B00U 146.2(3) . . . . ?
C002 C00A B019 B00X -151.2(3) . . . . ?
C002 C00A B019 B010 107.2(3) . . . . ?
C002 C00A B019 B012 -111.7(3) . . . . ?
C003 C008 C00C C00D 97.4(3) . . . . ?
C003 C008 B00R B00S -35.8(2) . . . . ?
C003 C008 B00R B00Y -137.9(2) . . . . ?
C003 C008 B00R B00Z -98.6(2) . . . . ?
C003 C008 B00Y B00R 38.4(2) . . . . ?
C003 C008 B00Y B00Z -0.9(3) . . . . ?
C003 C008 B00Y B014 -103.0(2) . . . . ?
C003 C008 B00Y B015 -63.7(3) . . . . ?
C003 C008 B014 B00Y 102.7(2) . . . . ?
C003 C008 B014 B015 63.2(3) . . . . ?
C003 C008 B014 B017 -38.4(2) . . . . ?
C003 C008 B014 B01A 0.3(3) . . . . ?
C003 C008 B017 B00T 35.9(2) . . . . ?
C003 C008 B017 B014 137.9(2) . . . . ?
C003 C008 B017 B01A 98.8(2) . . . . ?
C003 C00B C00P C01D -177.2(3) . . . . ?
C003 B00R B00S B00T -34.3(2) . . . . ?
C003 B00R B00S B00Z -135.0(2) . . . . ?
C003 B00R B00S B018 -97.3(2) . . . . ?
C003 B00R B00Y C008 -36.67(19) . . . . ?
C003 B00R B00Y B00Z 98.5(2) . . . . ?
C003 B00R B00Y B014 -2.5(3) . . . . ?
C003 B00R B00Y B015 60.9(3) . . . . ?
C003 B00R B00Z B00S 38.4(2) . . . . ?
C003 B00R B00Z B00Y -99.8(2) . . . . ?
C003 B00R B00Z B015 -62.3(3) . . . . ?
C003 B00R B00Z B018 0.9(3) . . . . ?
C003 B00S B00T B017 -34.5(2) . . . . ?
C003 B00S B00T B018 -135.2(2) . . . . ?
C003 B00S B00T B01A -97.4(2) . . . . ?
C003 B00S B00Z B00R -39.3(2) . . . . ?
C003 B00S B00Z B00Y -1.9(3) . . . . ?
C003 B00S B00Z B015 61.6(3) . . . . ?
C003 B00S B00Z B018 98.6(2) . . . . ?
C003 B00S B018 B00T 38.6(2) . . . . ?
C003 B00S B018 B00Z -99.8(2) . . . . ?
C003 B00S B018 B015 -62.6(3) . . . . ?
C003 B00S B018 B01A 1.1(3) . . . . ?
C003 B00T B017 C008 -36.2(2) . . . . ?
C003 B00T B017 B014 -97.6(2) . . . . ?
C003 B00T B017 B01A -135.5(2) . . . . ?
C003 B00T B018 B00S -38.4(2) . . . . ?
C003 B00T B018 B00Z -1.2(3) . . . . ?
C003 B00T B018 B015 62.5(3) . . . . ?
C003 B00T B018 B01A 99.7(2) . . . . ?
C003 B00T B01A B014 1.0(3) . . . . ?
C003 B00T B01A B015 -61.9(3) . . . . ?
C003 B00T B01A B017 38.8(2) . . . . ?
C003 B00T B01A B018 -98.7(2) . . . . ?
C003 B017 B01A B00T -38.2(2) . . . . ?
C003 B017 B01A B014 99.7(2) . . . . ?
C003 B017 B01A B015 62.2(3) . . . . ?
C003 B017 B01A B018 -0.7(3) . . . . ?
N004 C009 C00E C00A 82.2(3) . . . . ?
N004 C009 C00E B00V 13.3(4) . . . . ?
N004 C009 C00E B00W -59.8(4) . . . . ?
N004 C009 C00E B010 151.1(3) . . . . ?
N004 C009 C00E B016 -135.5(3) . . . . ?
N004 C009 C00Q C01C -1.3(6) . . . . ?
C005 C00G C00M C00H 1.5(5) . . . . ?
C005 C00I C00O C00H -0.4(5) . . . . ?
C006 C002 C00A C00E 95.9(3) . . . . ?
C006 C002 C00A B00V 164.5(3) . . . . ?
C006 C002 C00A B010 26.3(4) . . . . ?
C006 C002 C00A B012 -123.8(3) . . . . ?
C006 C002 C00A B019 -47.6(4) . . . . ?
C006 C005 C00G C00M 178.5(3) . . . . ?
C006 C005 C00I C00O -179.1(3) . . . . ?
C007 C00F C00K C00N -0.2(5) . . . . ?
C008 C003 C00B N001 89.1(3) . . . . ?
C008 C003 C00B C00P -94.6(3) . . . . ?
C008 C003 B00R B00S 138.4(2) . . . . ?
C008 C003 B00R B00Y 36.39(19) . . . . ?
C008 C003 B00R B00Z 99.0(2) . . . . ?
C008 C003 B00S B00R -38.0(2) . . . . ?
C008 C003 B00S B00T 103.2(2) . . . . ?
C008 C003 B00S B00Z 1.3(3) . . . . ?
C008 C003 B00S B018 64.1(3) . . . . ?
C008 C003 B00T B00S -103.2(2) . . . . ?
C008 C003 B00T B017 37.9(2) . . . . ?
C008 C003 B00T B018 -63.9(3) . . . . ?
C008 C003 B00T B01A -0.9(3) . . . . ?
C008 C003 B017 B00T -138.5(2) . . . . ?
C008 C003 B017 B014 -36.40(19) . . . . ?
C008 C003 B017 B01A -99.3(2) . . . . ?
C008 C00C C00D C007 176.7(3) . . . . ?
C008 B00R B00S C003 36.2(2) . . . . ?
C008 B00R B00S B00T 1.9(3) . . . . ?
C008 B00R B00S B00Z -98.8(2) . . . . ?
C008 B00R B00S B018 -61.1(3) . . . . ?
C008 B00R B00Y B00Z 135.2(2) . . . . ?
C008 B00R B00Y B014 34.2(2) . . . . ?
C008 B00R B00Y B015 97.5(2) . . . . ?
C008 B00R B00Z B00S 99.7(2) . . . . ?
C008 B00R B00Z B00Y -38.5(2) . . . . ?
C008 B00R B00Z B015 -0.9(3) . . . . ?
C008 B00R B00Z B018 62.3(3) . . . . ?
C008 B00Y B00Z B00R 39.1(2) . . . . ?
C008 B00Y B00Z B00S 1.7(3) . . . . ?
C008 B00Y B00Z B015 -98.9(2) . . . . ?
C008 B00Y B00Z B018 -61.5(3) . . . . ?
C008 B00Y B014 B015 135.1(2) . . . . ?
C008 B00Y B014 B017 34.5(2) . . . . ?
C008 B00Y B014 B01A 97.5(3) . . . . ?
C008 B00Y B015 B00Z 99.7(2) . . . . ?
C008 B00Y B015 B014 -38.7(2) . . . . ?
C008 B00Y B015 B018 62.1(3) . . . . ?
C008 B00Y B015 B01A -1.4(3) . . . . ?
C008 B014 B015 B00Y 38.7(2) . . . . ?
C008 B014 B015 B00Z 1.7(3) . . . . ?
C008 B014 B015 B018 -61.8(3) . . . . ?
C008 B014 B015 B01A -99.5(3) . . . . ?
C008 B014 B017 C003 36.66(19) . . . . ?
C008 B014 B017 B00T 97.8(2) . . . . ?
C008 B014 B017 B01A 135.7(2) . . . . ?
C008 B014 B01A B00T -0.8(3) . . . . ?
C008 B014 B01A B015 99.1(2) . . . . ?
C008 B014 B01A B017 -38.6(2) . . . . ?
C008 B014 B01A B018 61.8(3) . . . . ?
C008 B017 B01A B00T -99.7(2) . . . . ?
C008 B017 B01A B014 38.2(2) . . . . ?
C008 B017 B01A B015 0.7(3) . . . . ?
C008 B017 B01A B018 -62.2(3) . . . . ?
C009 N004 C01F C01B -0.2(7) . . . . ?
C009 C00E B00V C00A 107.8(3) . . . . ?
C009 C00E B00V B00W -113.9(3) . . . . ?
C009 C00E B00V B012 144.2(2) . . . . ?
C009 C00E B00V B013 -153.0(2) . . . . ?
C009 C00E B00W B00V 106.1(3) . . . . ?
C009 C00E B00W B011 -151.9(3) . . . . ?
C009 C00E B00W B013 144.9(2) . . . . ?
C009 C00E B00W B016 -112.5(3) . . . . ?
C009 C00E B010 C00A -107.5(3) . . . . ?
C009 C00E B010 B00U 153.2(2) . . . . ?
C009 C00E B010 B016 114.0(3) . . . . ?
C009 C00E B010 B019 -144.0(2) . . . . ?
C009 C00E B016 B00U -145.7(3) . . . . ?
C009 C00E B016 B00W 112.2(3) . . . . ?
C009 C00E B016 B010 -106.7(3) . . . . ?
C009 C00E B016 B011 151.6(3) . . . . ?
C009 C00Q C01C C01B -0.5(7) . . . . ?
C00A C002 C006 C005 179.7(3) . . . . ?
C00A C00E B00V B00W 138.3(2) . . . . ?
C00A C00E B00V B012 36.4(2) . . . . ?
C00A C00E B00V B013 99.2(2) . . . . ?
C00A C00E B00W B00V -38.2(2) . . . . ?
C00A C00E B00W B011 63.8(3) . . . . ?
C00A C00E B00W B013 0.6(3) . . . . ?
C00A C00E B00W B016 103.2(2) . . . . ?
C00A C00E B010 B00U -99.3(2) . . . . ?
C00A C00E B010 B016 -138.5(2) . . . . ?
C00A C00E B010 B019 -36.5(2) . . . . ?
C00A C00E B016 B00U -1.1(3) . . . . ?
C00A C00E B016 B00W -103.2(2) . . . . ?
C00A C00E B016 B010 37.9(2) . . . . ?
C00A C00E B016 B011 -63.8(3) . . . . ?
C00A B00V B00W C00E 36.36(19) . . . . ?
C00A B00V B00W B011 -60.9(3) . . . . ?
C00A B00V B00W B013 -99.0(2) . . . . ?
C00A B00V B00W B016 2.4(3) . . . . ?
C00A B00V B012 B00X 97.3(2) . . . . ?
C00A B00V B012 B013 135.0(2) . . . . ?
C00A B00V B012 B019 34.0(2) . . . . ?
C00A B00V B013 B00W 99.5(2) . . . . ?
C00A B00V B013 B00X -1.1(3) . . . . ?
C00A B00V B013 B011 62.0(3) . . . . ?
C00A B00V B013 B012 -38.7(2) . . . . ?
C00A B010 B016 C00E -36.2(2) . . . . ?
C00A B010 B016 B00U 99.1(2) . . . . ?
C00A B010 B016 B00W -1.8(3) . . . . ?
C00A B010 B016 B011 61.4(3) . . . . ?
C00A B010 B019 B00U -135.3(2) . . . . ?
C00A B010 B019 B00X -97.5(2) . . . . ?
C00A B010 B019 B012 -34.3(2) . . . . ?
C00A B012 B013 B00V 39.1(2) . . . . ?
C00A B012 B013 B00W 1.4(3) . . . . ?
C00A B012 B013 B00X -98.7(2) . . . . ?
C00A B012 B013 B011 -61.5(3) . . . . ?
C00A B012 B019 B00U 97.5(2) . . . . ?
C00A B012 B019 B00X 134.8(2) . . . . ?
C00A B012 B019 B010 34.4(2) . . . . ?
C00B N001 C01G C01E 0.7(6) . . . . ?
C00B C003 C008 C00C -2.6(4) . . . . ?
C00B C003 C008 B00R -107.4(3) . . . . ?
C00B C003 C008 B00Y -146.5(2) . . . . ?
C00B C003 C008 B014 146.3(2) . . . . ?
C00B C003 C008 B017 107.1(3) . . . . ?
C00B C003 B00R C008 109.4(2) . . . . ?
C00B C003 B00R B00S -112.1(3) . . . . ?
C00B C003 B00R B00Y 145.8(2) . . . . ?
C00B C003 B00R B00Z -151.6(2) . . . . ?
C00B C003 B00S B00R 107.6(3) . . . . ?
C00B C003 B00S B00T -111.2(3) . . . . ?
C00B C003 B00S B00Z 146.9(3) . . . . ?
C00B C003 B00S B018 -150.3(3) . . . . ?
C00B C003 B00T B00S 111.5(3) . . . . ?
C00B C003 B00T B017 -107.4(3) . . . . ?
C00B C003 B00T B018 150.7(2) . . . . ?
C00B C003 B00T B01A -146.2(2) . . . . ?
C00B C003 B017 C008 -109.5(3) . . . . ?
C00B C003 B017 B00T 112.0(3) . . . . ?
C00B C003 B017 B014 -145.9(2) . . . . ?
C00B C003 B017 B01A 151.2(2) . . . . ?
C00B C00P C01D C01E 1.0(6) . . . . ?
C00C C008 B00R C003 -109.4(3) . . . . ?
C00C C008 B00R B00S -145.2(2) . . . . ?
C00C C008 B00R B00Y 112.7(3) . . . . ?
C00C C008 B00R B00Z 152.0(2) . . . . ?
C00C C008 B00Y B00R -104.6(3) . . . . ?
C00C C008 B00Y B00Z -143.9(3) . . . . ?
C00C C008 B00Y B014 114.1(3) . . . . ?
C00C C008 B00Y B015 153.4(3) . . . . ?
C00C C008 B014 B00Y -110.2(3) . . . . ?
C00C C008 B014 B015 -149.7(3) . . . . ?
C00C C008 B014 B017 108.7(3) . . . . ?
C00C C008 B014 B01A 147.4(3) . . . . ?
C00C C008 B017 C003 107.7(3) . . . . ?
C00C C008 B017 B00T 143.6(3) . . . . ?
C00C C008 B017 B014 -114.4(3) . . . . ?
C00C C008 B017 B01A -153.4(3) . . . . ?
C00D C007 C00F C00K 179.2(3) . . . . ?
C00D C007 C00L C00J -179.2(3) . . . . ?
C00E C009 C00Q C01C -178.4(3) . . . . ?
C00E C00A B00V B00W -35.95(19) . . . . ?
C00E C00A B00V B012 -138.1(2) . . . . ?
C00E C00A B00V B013 -98.5(2) . . . . ?
C00E C00A B010 B00U 98.6(2) . . . . ?
C00E C00A B010 B016 35.7(2) . . . . ?
C00E C00A B010 B019 137.9(2) . . . . ?
C00E C00A B012 B00V 38.2(2) . . . . ?
C00E C00A B012 B00X -63.7(3) . . . . ?
C00E C00A B012 B013 -1.0(3) . . . . ?
C00E C00A B012 B019 -103.2(2) . . . . ?
C00E C00A B019 B00U 0.5(3) . . . . ?
C00E C00A B019 B00X 63.1(3) . . . . ?
C00E C00A B019 B010 -38.5(2) . . . . ?
C00E C00A B019 B012 102.6(2) . . . . ?
C00E B00V B00W B011 -97.3(2) . . . . ?
C00E B00V B00W B013 -135.4(2) . . . . ?
C00E B00V B00W B016 -34.0(2) . . . . ?
C00E B00V B012 C00A -36.6(2) . . . . ?
C00E B00V B012 B00X 60.7(3) . . . . ?
C00E B00V B012 B013 98.4(2) . . . . ?
C00E B00V B012 B019 -2.6(3) . . . . ?
C00E B00V B013 B00W 38.1(2) . . . . ?
C00E B00V B013 B00X -62.4(3) . . . . ?
C00E B00V B013 B011 0.6(3) . . . . ?
C00E B00V B013 B012 -100.1(2) . . . . ?
C00E B00W B011 B00U 1.2(3) . . . . ?
C00E B00W B011 B00X -62.6(3) . . . . ?
C00E B00W B011 B013 -99.5(2) . . . . ?
C00E B00W B011 B016 38.7(2) . . . . ?
C00E B00W B013 B00V -38.8(2) . . . . ?
C00E B00W B013 B00X 62.3(3) . . . . ?
C00E B00W B013 B011 98.9(2) . . . . ?
C00E B00W B013 B012 -1.2(3) . . . . ?
C00E B00W B016 B00U -97.5(2) . . . . ?
C00E B00W B016 B010 -34.6(2) . . . . ?
C00E B00W B016 B011 -134.9(2) . . . . ?
C00E B010 B016 B00U 135.3(2) . . . . ?
C00E B010 B016 B00W 34.4(2) . . . . ?
C00E B010 B016 B011 97.6(2) . . . . ?
C00E B010 B019 C00A 36.8(2) . . . . ?
C00E B010 B019 B00U -98.6(2) . . . . ?
C00E B010 B019 B00X -60.8(3) . . . . ?
C00E B010 B019 B012 2.5(3) . . . . ?
C00F C007 C00D C00C -171.5(3) . . . . ?
C00F C007 C00L C00J -0.1(5) . . . . ?
C00F C00K C00N C00J 0.2(5) . . . . ?
C00G C005 C006 C002 -163.6(3) . . . . ?
C00G C005 C00I C00O 1.3(5) . . . . ?
C00I C005 C006 C002 16.9(5) . . . . ?
C00I C005 C00G C00M -1.9(5) . . . . ?
C00L C007 C00D C00C 7.5(5) . . . . ?
C00L C007 C00F C00K 0.1(5) . . . . ?
C00L C00J C00N C00K -0.2(5) . . . . ?
C00M C00H C00O C00I 0.0(5) . . . . ?
C00N C00J C00L C007 0.1(5) . . . . ?
C00O C00H C00M C00G -0.5(5) . . . . ?
C00P C01D C01E C01G 0.0(6) . . . . ?
C00Q C009 C00E C00A -100.5(3) . . . . ?
C00Q C009 C00E B00V -169.4(3) . . . . ?
C00Q C009 C00E B00W 117.5(4) . . . . ?
C00Q C009 C00E B010 -31.6(4) . . . . ?
C00Q C009 C00E B016 41.8(4) . . . . ?
B00R C003 C008 C00C 104.8(3) . . . . ?
B00R C003 C008 B00Y -39.1(2) . . . . ?
B00R C003 C008 B014 -106.2(2) . . . . ?
B00R C003 C008 B017 -145.4(2) . . . . ?
B00R C003 C00B N001 19.2(4) . . . . ?
B00R C003 C00B C00P -164.5(3) . . . . ?
B00R C003 B00S B00T 141.2(2) . . . . ?
B00R C003 B00S B00Z 39.4(2) . . . . ?
B00R C003 B00S B018 102.2(3) . . . . ?
B00R C003 B00T B00S -37.4(2) . . . . ?
B00R C003 B00T B017 103.8(2) . . . . ?
B00R C003 B00T B018 1.9(3) . . . . ?
B00R C003 B00T B01A 64.9(3) . . . . ?
B00R C003 B017 C008 32.3(2) . . . . ?
B00R C003 B017 B00T -106.2(2) . . . . ?
B00R C003 B017 B014 -4.1(3) . . . . ?
B00R C003 B017 B01A -67.1(3) . . . . ?
B00R C008 C00C C00D 166.0(3) . . . . ?
B00R C008 B00Y B00Z -39.3(2) . . . . ?
B00R C008 B00Y B014 -141.3(2) . . . . ?
B00R C008 B00Y B015 -102.0(3) . . . . ?
B00R C008 B014 B00Y 37.0(2) . . . . ?
B00R C008 B014 B015 -2.4(3) . . . . ?
B00R C008 B014 B017 -104.1(2) . . . . ?
B00R C008 B014 B01A -65.4(3) . . . . ?
B00R C008 B017 C003 -32.3(2) . . . . ?
B00R C008 B017 B00T 3.6(3) . . . . ?
B00R C008 B017 B014 105.6(2) . . . . ?
B00R C008 B017 B01A 66.5(3) . . . . ?
B00R B00S B00T C003 34.7(2) . . . . ?
B00R B00S B00T B017 0.2(3) . . . . ?
B00R B00S B00T B018 -100.5(3) . . . . ?
B00R B00S B00T B01A -62.7(3) . . . . ?
B00R B00S B00Z B00Y 37.4(2) . . . . ?
B00R B00S B00Z B015 100.9(2) . . . . ?
B00R B00S B00Z B018 137.9(2) . . . . ?
B00R B00S B018 B00T 101.0(2) . . . . ?
B00R B00S B018 B00Z -37.5(2) . . . . ?
B00R B00S B018 B015 -0.2(3) . . . . ?
B00R B00S B018 B01A 63.4(3) . . . . ?
B00R B00Y B00Z B00S -37.4(2) . . . . ?
B00R B00Y B00Z B015 -138.0(2) . . . . ?
B00R B00Y B00Z B018 -100.6(2) . . . . ?
B00R B00Y B014 C008 -34.5(2) . . . . ?
B00R B00Y B014 B015 100.6(3) . . . . ?
B00R B00Y B014 B017 0.0(3) . . . . ?
B00R B00Y B014 B01A 63.0(3) . . . . ?
B00R B00Y B015 B00Z 37.4(2) . . . . ?
B00R B00Y B015 B014 -101.0(2) . . . . ?
B00R B00Y B015 B018 -0.1(3) . . . . ?
B00R B00Y B015 B01A -63.7(3) . . . . ?
B00R B00Z B015 B00Y -37.6(2) . . . . ?
B00R B00Z B015 B014 -0.5(3) . . . . ?
B00R B00Z B015 B018 100.4(2) . . . . ?
B00R B00Z B015 B01A 63.0(3) . . . . ?
B00R B00Z B018 B00S 37.5(2) . . . . ?
B00R B00Z B018 B00T 0.1(3) . . . . ?
B00R B00Z B018 B015 -100.9(2) . . . . ?
B00R B00Z B018 B01A -63.5(3) . . . . ?
B00S C003 C008 C00C 143.7(3) . . . . ?
B00S C003 C008 B00R 38.8(2) . . . . ?
B00S C003 C008 B00Y -0.3(3) . . . . ?
B00S C003 C008 B014 -67.4(3) . . . . ?
B00S C003 C008 B017 -106.6(2) . . . . ?
B00S C003 C00B N001 -53.6(4) . . . . ?
B00S C003 C00B C00P 122.7(3) . . . . ?
B00S C003 B00R C008 -138.4(2) . . . . ?
B00S C003 B00R B00Y -102.0(2) . . . . ?
B00S C003 B00R B00Z -39.4(2) . . . . ?
B00S C003 B00T B017 141.1(2) . . . . ?
B00S C003 B00T B018 39.3(2) . . . . ?
B00S C003 B00T B01A 102.3(2) . . . . ?
B00S C003 B017 C008 100.8(2) . . . . ?
B00S C003 B017 B00T -37.7(2) . . . . ?
B00S C003 B017 B014 64.4(3) . . . . ?
B00S C003 B017 B01A 1.5(3) . . . . ?
B00S B00R B00Y C008 -97.6(2) . . . . ?
B00S B00R B00Y B00Z 37.6(2) . . . . ?
B00S B00R B00Y B014 -63.4(3) . . . . ?
B00S B00R B00Y B015 0.0(3) . . . . ?
B00S B00R B00Z B00Y -138.2(2) . . . . ?
B00S B00R B00Z B015 -100.6(3) . . . . ?
B00S B00R B00Z B018 -37.4(2) . . . . ?
B00S B00T B017 C003 34.0(2) . . . . ?
B00S B00T B017 C008 -2.2(3) . . . . ?
B00S B00T B017 B014 -63.6(3) . . . . ?
B00S B00T B017 B01A -101.5(3) . . . . ?
B00S B00T B018 B00Z 37.2(2) . . . . ?
B00S B00T B018 B015 100.9(3) . . . . ?
B00S B00T B018 B01A 138.1(2) . . . . ?
B00S B00T B01A B014 62.2(3) . . . . ?
B00S B00T B01A B015 -0.8(3) . . . . ?
B00S B00T B01A B017 99.9(2) . . . . ?
B00S B00T B01A B018 -37.6(2) . . . . ?
B00S B00Z B015 B00Y -101.0(2) . . . . ?
B00S B00Z B015 B014 -63.9(3) . . . . ?
B00S B00Z B015 B018 37.0(2) . . . . ?
B00S B00Z B015 B01A -0.4(3) . . . . ?
B00S B00Z B018 B00T -37.4(2) . . . . ?
B00S B00Z B018 B015 -138.5(2) . . . . ?
B00S B00Z B018 B01A -101.0(2) . . . . ?
B00S B018 B01A B00T 37.7(2) . . . . ?
B00S B018 B01A B014 -63.5(3) . . . . ?
B00S B018 B01A B015 -100.8(3) . . . . ?
B00S B018 B01A B017 -0.2(3) . . . . ?
B00T C003 C008 C00C -148.5(2) . . . . ?
B00T C003 C008 B00R 106.7(2) . . . . ?
B00T C003 C008 B00Y 67.5(3) . . . . ?
B00T C003 C008 B014 0.4(3) . . . . ?
B00T C003 C008 B017 -38.8(2) . . . . ?
B00T C003 C00B N001 -128.5(3) . . . . ?
B00T C003 C00B C00P 47.8(4) . . . . ?
B00T C003 B00R C008 -100.8(2) . . . . ?
B00T C003 B00R B00S 37.6(2) . . . . ?
B00T C003 B00R B00Y -64.4(3) . . . . ?
B00T C003 B00R B00Z -1.8(3) . . . . ?
B00T C003 B00S B00R -141.2(2) . . . . ?
B00T C003 B00S B00Z -101.8(3) . . . . ?
B00T C003 B00S B018 -39.0(2) . . . . ?
B00T C003 B017 C008 138.5(2) . . . . ?
B00T C003 B017 B014 102.1(2) . . . . ?
B00T C003 B017 B01A 39.2(2) . . . . ?
B00T B00S B00Z B00R -100.9(2) . . . . ?
B00T B00S B00Z B00Y -63.5(3) . . . . ?
B00T B00S B00Z B015 0.0(3) . . . . ?
B00T B00S B00Z B018 37.0(2) . . . . ?
B00T B00S B018 B00Z -138.5(2) . . . . ?
B00T B00S B018 B015 -101.2(2) . . . . ?
B00T B00S B018 B01A -37.6(2) . . . . ?
B00T B017 B01A B014 137.9(2) . . . . ?
B00T B017 B01A B015 100.4(2) . . . . ?
B00T B017 B01A B018 37.5(2) . . . . ?
B00T B018 B01A B014 -101.2(3) . . . . ?
B00T B018 B01A B015 -138.5(2) . . . . ?
B00T B018 B01A B017 -37.9(2) . . . . ?
B00U B00X B011 B00W 101.4(3) . . . . ?
B00U B00X B011 B013 138.2(2) . . . . ?
B00U B00X B011 B016 37.6(2) . . . . ?
B00U B00X B012 C00A -1.5(3) . . . . ?
B00U B00X B012 B00V -63.6(3) . . . . ?
B00U B00X B012 B013 -101.0(3) . . . . ?
B00U B00X B012 B019 37.3(2) . . . . ?
B00U B00X B013 B00V 63.0(3) . . . . ?
B00U B00X B013 B00W -1.0(3) . . . . ?
B00U B00X B013 B011 -37.4(2) . . . . ?
B00U B00X B013 B012 100.8(3) . . . . ?
B00U B00X B019 C00A -99.4(2) . . . . ?
B00U B00X B019 B010 -37.6(2) . . . . ?
B00U B00X B019 B012 -138.3(2) . . . . ?
B00U B010 B016 C00E -135.3(2) . . . . ?
B00U B010 B016 B00W -100.9(3) . . . . ?
B00U B010 B016 B011 -37.7(2) . . . . ?
B00U B010 B019 C00A 135.3(2) . . . . ?
B00U B010 B019 B00X 37.8(2) . . . . ?
B00U B010 B019 B012 101.1(3) . . . . ?
B00U B011 B013 B00V -63.3(3) . . . . ?
B00U B011 B013 B00W -101.3(3) . . . . ?
B00U B011 B013 B00X 37.5(2) . . . . ?
B00U B011 B013 B012 0.2(3) . . . . ?
B00U B011 B016 C00E 99.5(2) . . . . ?
B00U B011 B016 B00W 138.3(2) . . . . ?
B00U B011 B016 B010 37.4(2) . . . . ?
B00V C00A C00E C009 -107.0(3) . . . . ?
B00V C00A C00E B00W 39.2(2) . . . . ?
B00V C00A C00E B010 145.6(2) . . . . ?
B00V C00A C00E B016 106.6(2) . . . . ?
B00V C00A B010 C00E -32.2(2) . . . . ?
B00V C00A B010 B00U 66.4(3) . . . . ?
B00V C00A B010 B016 3.5(3) . . . . ?
B00V C00A B010 B019 105.7(2) . . . . ?
B00V C00A B012 B00X -101.9(2) . . . . ?
B00V C00A B012 B013 -39.2(2) . . . . ?
B00V C00A B012 B019 -141.4(2) . . . . ?
B00V C00A B019 B00U -65.2(3) . . . . ?
B00V C00A B019 B00X -2.5(3) . . . . ?
B00V C00A B019 B010 -104.2(3) . . . . ?
B00V C00A B019 B012 37.0(2) . . . . ?
B00V C00E B00W B011 102.0(2) . . . . ?
B00V C00E B00W B013 38.8(2) . . . . ?
B00V C00E B00W B016 141.4(2) . . . . ?
B00V C00E B010 C00A 32.1(2) . . . . ?
B00V C00E B010 B00U -67.1(3) . . . . ?
B00V C00E B010 B016 -106.4(3) . . . . ?
B00V C00E B010 B019 -4.3(3) . . . . ?
B00V C00E B016 B00U 64.8(3) . . . . ?
B00V C00E B016 B00W -37.3(2) . . . . ?
B00V C00E B016 B010 103.8(2) . . . . ?
B00V C00E B016 B011 2.1(3) . . . . ?
B00V B00W B011 B00U 63.2(3) . . . . ?
B00V B00W B011 B00X -0.6(3) . . . . ?
B00V B00W B011 B013 -37.5(2) . . . . ?
B00V B00W B011 B016 100.7(2) . . . . ?
B00V B00W B013 B00X 101.1(3) . . . . ?
B00V B00W B013 B011 137.7(2) . . . . ?
B00V B00W B013 B012 37.5(2) . . . . ?
B00V B00W B016 C00E 34.3(2) . . . . ?
B00V B00W B016 B00U -63.3(3) . . . . ?
B00V B00W B016 B010 -0.3(3) . . . . ?
B00V B00W B016 B011 -100.6(3) . . . . ?
B00V B012 B013 B00W -37.7(2) . . . . ?
B00V B012 B013 B00X -137.8(2) . . . . ?
B00V B012 B013 B011 -100.6(2) . . . . ?
B00V B012 B019 C00A -34.4(2) . . . . ?
B00V B012 B019 B00U 63.1(3) . . . . ?
B00V B012 B019 B00X 100.5(3) . . . . ?
B00V B012 B019 B010 0.1(3) . . . . ?
B00W C00E B00V C00A -138.3(2) . . . . ?
B00W C00E B00V B012 -101.9(2) . . . . ?
B00W C00E B00V B013 -39.1(2) . . . . ?
B00W C00E B010 C00A 100.9(2) . . . . ?
B00W C00E B010 B00U 1.7(3) . . . . ?
B00W C00E B010 B016 -37.6(2) . . . . ?
B00W C00E B010 B019 64.5(3) . . . . ?
B00W C00E B016 B00U 102.1(3) . . . . ?
B00W C00E B016 B010 141.1(2) . . . . ?
B00W C00E B016 B011 39.4(2) . . . . ?
B00W B00V B012 C00A -97.6(2) . . . . ?
B00W B00V B012 B00X -0.3(3) . . . . ?
B00W B00V B012 B013 37.4(2) . . . . ?
B00W B00V B012 B019 -63.6(3) . . . . ?
B00W B00V B013 B00X -100.6(3) . . . . ?
B00W B00V B013 B011 -37.5(2) . . . . ?
B00W B00V B013 B012 -138.3(2) . . . . ?
B00W B011 B013 B00V 38.0(2) . . . . ?
B00W B011 B013 B00X 138.9(3) . . . . ?
B00W B011 B013 B012 101.5(2) . . . . ?
B00W B011 B016 C00E -38.9(2) . . . . ?
B00W B011 B016 B00U -138.3(2) . . . . ?
B00W B011 B016 B010 -101.0(2) . . . . ?
B00X B00U B010 C00A 0.7(3) . . . . ?
B00X B00U B010 C00E 62.2(3) . . . . ?
B00X B00U B010 B016 100.4(2) . . . . ?
B00X B00U B010 B019 -37.7(2) . . . . ?
B00X B00U B011 B00W -100.8(3) . . . . ?
B00X B00U B011 B013 -37.4(2) . . . . ?
B00X B00U B011 B016 -138.3(2) . . . . ?
B00X B00U B016 C00E -61.8(3) . . . . ?
B00X B00U B016 B00W -0.2(3) . . . . ?
B00X B00U B016 B010 -100.7(2) . . . . ?
B00X B00U B016 B011 37.0(2) . . . . ?
B00X B00U B019 C00A 98.9(2) . . . . ?
B00X B00U B019 B010 137.6(2) . . . . ?
B00X B00U B019 B012 37.3(2) . . . . ?
B00X B011 B013 B00V -100.8(3) . . . . ?
B00X B011 B013 B00W -138.9(3) . . . . ?
B00X B011 B013 B012 -37.3(2) . . . . ?
B00X B011 B016 C00E 62.0(3) . . . . ?
B00X B011 B016 B00U -37.5(2) . . . . ?
B00X B011 B016 B00W 100.8(3) . . . . ?
B00X B011 B016 B010 -0.1(3) . . . . ?
B00X B012 B013 B00V 137.8(2) . . . . ?
B00X B012 B013 B00W 100.1(3) . . . . ?
B00X B012 B013 B011 37.2(2) . . . . ?
B00X B012 B019 C00A -134.8(2) . . . . ?
B00X B012 B019 B00U -37.4(2) . . . . ?
B00X B012 B019 B010 -100.4(3) . . . . ?
B00Y C008 C00C C00D -122.6(3) . . . . ?
B00Y C008 B00R C003 137.9(2) . . . . ?
B00Y C008 B00R B00S 102.1(2) . . . . ?
B00Y C008 B00R B00Z 39.3(2) . . . . ?
B00Y C008 B014 B015 -39.5(2) . . . . ?
B00Y C008 B014 B017 -141.1(2) . . . . ?
B00Y C008 B014 B01A -102.4(2) . . . . ?
B00Y C008 B017 C003 -100.5(2) . . . . ?
B00Y C008 B017 B00T -64.6(3) . . . . ?
B00Y C008 B017 B014 37.4(2) . . . . ?
B00Y C008 B017 B01A -1.7(3) . . . . ?
B00Y B00R B00S C003 97.5(2) . . . . ?
B00Y B00R B00S B00T 63.2(3) . . . . ?
B00Y B00R B00S B00Z -37.5(2) . . . . ?
B00Y B00R B00S B018 0.2(3) . . . . ?
B00Y B00R B00Z B00S 138.2(2) . . . . ?
B00Y B00R B00Z B015 37.6(2) . . . . ?
B00Y B00R B00Z B018 100.7(2) . . . . ?
B00Y B00Z B015 B014 37.1(2) . . . . ?
B00Y B00Z B015 B018 138.0(2) . . . . ?
B00Y B00Z B015 B01A 100.5(2) . . . . ?
B00Y B00Z B018 B00S 100.9(2) . . . . ?
B00Y B00Z B018 B00T 63.6(3) . . . . ?
B00Y B00Z B018 B015 -37.5(2) . . . . ?
B00Y B00Z B018 B01A -0.1(3) . . . . ?
B00Y B014 B015 B00Z -37.0(2) . . . . ?
B00Y B014 B015 B018 -100.5(3) . . . . ?
B00Y B014 B015 B01A -138.3(3) . . . . ?
B00Y B014 B017 C003 2.4(3) . . . . ?
B00Y B014 B017 C008 -34.3(2) . . . . ?
B00Y B014 B017 B00T 63.6(3) . . . . ?
B00Y B014 B017 B01A 101.4(3) . . . . ?
B00Y B014 B01A B00T -62.4(3) . . . . ?
B00Y B014 B01A B015 37.5(2) . . . . ?
B00Y B014 B01A B017 -100.2(2) . . . . ?
B00Y B014 B01A B018 0.2(3) . . . . ?
B00Y B015 B018 B00S 0.2(3) . . . . ?
B00Y B015 B018 B00T -63.7(3) . . . . ?
B00Y B015 B018 B00Z 37.4(2) . . . . ?
B00Y B015 B018 B01A -100.9(2) . . . . ?
B00Y B015 B01A B00T 63.9(3) . . . . ?
B00Y B015 B01A B014 -37.2(2) . . . . ?
B00Y B015 B01A B017 0.5(3) . . . . ?
B00Y B015 B01A B018 100.6(3) . . . . ?
B00Z B00R B00S C003 135.0(2) . . . . ?
B00Z B00R B00S B00T 100.7(3) . . . . ?
B00Z B00R B00S B018 37.7(2) . . . . ?
B00Z B00R B00Y C008 -135.2(2) . . . . ?
B00Z B00R B00Y B014 -101.0(3) . . . . ?
B00Z B00R B00Y B015 -37.6(2) . . . . ?
B00Z B00S B00T C003 97.9(2) . . . . ?
B00Z B00S B00T B017 63.4(3) . . . . ?
B00Z B00S B00T B018 -37.3(2) . . . . ?
B00Z B00S B00T B01A 0.5(3) . . . . ?
B00Z B00S B018 B00T 138.5(2) . . . . ?
B00Z B00S B018 B015 37.2(2) . . . . ?
B00Z B00S B018 B01A 100.9(3) . . . . ?
B00Z B00Y B014 C008 -97.7(2) . . . . ?
B00Z B00Y B014 B015 37.3(2) . . . . ?
B00Z B00Y B014 B017 -63.2(3) . . . . ?
B00Z B00Y B014 B01A -0.3(3) . . . . ?
B00Z B00Y B015 B014 -138.4(3) . . . . ?
B00Z B00Y B015 B018 -37.5(2) . . . . ?
B00Z B00Y B015 B01A -101.1(3) . . . . ?
B00Z B015 B018 B00S -37.1(2) . . . . ?
B00Z B015 B018 B00T -101.0(3) . . . . ?
B00Z B015 B018 B01A -138.3(2) . . . . ?
B00Z B015 B01A B00T 0.7(3) . . . . ?
B00Z B015 B01A B014 -100.4(3) . . . . ?
B00Z B015 B01A B017 -62.7(3) . . . . ?
B00Z B015 B01A B018 37.4(2) . . . . ?
B00Z B018 B01A B00T 101.1(3) . . . . ?
B00Z B018 B01A B014 -0.1(3) . . . . ?
B00Z B018 B01A B015 -37.4(2) . . . . ?
B00Z B018 B01A B017 63.2(3) . . . . ?
B010 C00A C00E C009 107.5(3) . . . . ?
B010 C00A C00E B00V -145.6(2) . . . . ?
B010 C00A C00E B00W -106.4(2) . . . . ?
B010 C00A C00E B016 -38.9(2) . . . . ?
B010 C00A B00V C00E 32.2(2) . . . . ?
B010 C00A B00V B00W -3.7(3) . . . . ?
B010 C00A B00V B012 -105.8(2) . . . . ?
B010 C00A B00V B013 -66.3(3) . . . . ?
B010 C00A B012 B00V 103.9(2) . . . . ?
B010 C00A B012 B00X 2.1(3) . . . . ?
B010 C00A B012 B013 64.7(3) . . . . ?
B010 C00A B012 B019 -37.4(2) . . . . ?
B010 C00A B019 B00U 39.0(2) . . . . ?
B010 C00A B019 B00X 101.6(2) . . . . ?
B010 C00A B019 B012 141.1(2) . . . . ?
B010 C00E B00V C00A -32.0(2) . . . . ?
B010 C00E B00V B00W 106.2(2) . . . . ?
B010 C00E B00V B012 4.4(3) . . . . ?
B010 C00E B00V B013 67.1(3) . . . . ?
B010 C00E B00W B00V -103.8(2) . . . . ?
B010 C00E B00W B011 -1.8(3) . . . . ?
B010 C00E B00W B013 -65.0(3) . . . . ?
B010 C00E B00W B016 37.6(2) . . . . ?
B010 C00E B016 B00U -39.0(2) . . . . ?
B010 C00E B016 B00W -141.1(2) . . . . ?
B010 C00E B016 B011 -101.7(2) . . . . ?
B010 B00U B00X B011 -100.3(2) . . . . ?
B010 B00U B00X B012 0.5(3) . . . . ?
B010 B00U B00X B013 -62.8(3) . . . . ?
B010 B00U B00X B019 37.8(2) . . . . ?
B010 B00U B011 B00W -0.2(3) . . . . ?
B010 B00U B011 B00X 100.6(2) . . . . ?
B010 B00U B011 B013 63.2(3) . . . . ?
B010 B00U B011 B016 -37.7(2) . . . . ?
B010 B00U B016 C00E 38.9(2) . . . . ?
B010 B00U B016 B00W 100.6(2) . . . . ?
B010 B00U B016 B011 137.8(2) . . . . ?
B010 B00U B019 C00A -38.8(2) . . . . ?
B010 B00U B019 B00X -137.6(2) . . . . ?
B010 B00U B019 B012 -100.4(2) . . . . ?
B011 B00U B00X B012 100.8(2) . . . . ?
B011 B00U B00X B013 37.6(2) . . . . ?
B011 B00U B00X B019 138.1(2) . . . . ?
B011 B00U B010 C00A -62.3(3) . . . . ?
B011 B00U B010 C00E -0.8(3) . . . . ?
B011 B00U B010 B016 37.3(2) . . . . ?
B011 B00U B010 B019 -100.7(3) . . . . ?
B011 B00U B016 C00E -98.9(2) . . . . ?
B011 B00U B016 B00W -37.2(2) . . . . ?
B011 B00U B016 B010 -137.8(2) . . . . ?
B011 B00U B019 C00A 61.6(3) . . . . ?
B011 B00U B019 B00X -37.3(2) . . . . ?
B011 B00U B019 B010 100.4(2) . . . . ?
B011 B00U B019 B012 0.0(3) . . . . ?
B011 B00W B013 B00V -137.7(2) . . . . ?
B011 B00W B013 B00X -36.6(2) . . . . ?
B011 B00W B013 B012 -100.1(2) . . . . ?
B011 B00W B016 C00E 134.9(2) . . . . ?
B011 B00W B016 B00U 37.4(2) . . . . ?
B011 B00W B016 B010 100.3(3) . . . . ?
B011 B00X B012 C00A 62.0(3) . . . . ?
B011 B00X B012 B00V -0.1(3) . . . . ?
B011 B00X B012 B013 -37.5(2) . . . . ?
B011 B00X B012 B019 100.7(3) . . . . ?
B011 B00X B013 B00V 100.5(3) . . . . ?
B011 B00X B013 B00W 36.5(2) . . . . ?
B011 B00X B013 B012 138.2(2) . . . . ?
B011 B00X B019 C00A -62.0(3) . . . . ?
B011 B00X B019 B00U 37.4(2) . . . . ?
B011 B00X B019 B010 -0.2(3) . . . . ?
B011 B00X B019 B012 -100.9(2) . . . . ?
B012 C00A C00E C009 -145.9(2) . . . . ?
B012 C00A C00E B00V -38.9(2) . . . . ?
B012 C00A C00E B00W 0.3(3) . . . . ?
B012 C00A C00E B010 106.7(2) . . . . ?
B012 C00A C00E B016 67.7(3) . . . . ?
B012 C00A B00V C00E 138.1(2) . . . . ?
B012 C00A B00V B00W 102.1(2) . . . . ?
B012 C00A B00V B013 39.5(2) . . . . ?
B012 C00A B010 C00E -100.3(2) . . . . ?
B012 C00A B010 B00U -1.8(3) . . . . ?
B012 C00A B010 B016 -64.6(3) . . . . ?
B012 C00A B010 B019 37.5(2) . . . . ?
B012 C00A B019 B00U -102.1(3) . . . . ?
B012 C00A B019 B00X -39.5(2) . . . . ?
B012 C00A B019 B010 -141.1(2) . . . . ?
B012 B00V B00W C00E 97.9(2) . . . . ?
B012 B00V B00W B011 0.6(3) . . . . ?
B012 B00V B00W B013 -37.5(2) . . . . ?
B012 B00V B00W B016 63.9(3) . . . . ?
B012 B00V B013 B00W 138.3(2) . . . . ?
B012 B00V B013 B00X 37.7(2) . . . . ?
B012 B00V B013 B011 100.8(2) . . . . ?
B012 B00X B011 B00U -100.9(2) . . . . ?
B012 B00X B011 B00W 0.5(3) . . . . ?
B012 B00X B011 B013 37.3(2) . . . . ?
B012 B00X B011 B016 -63.3(3) . . . . ?
B012 B00X B013 B00V -37.7(2) . . . . ?
B012 B00X B013 B00W -101.7(3) . . . . ?
B012 B00X B013 B011 -138.2(2) . . . . ?
B012 B00X B019 C00A 38.9(2) . . . . ?
B012 B00X B019 B00U 138.3(2) . . . . ?
B012 B00X B019 B010 100.8(2) . . . . ?
B013 B00V B00W C00E 135.4(2) . . . . ?
B013 B00V B00W B011 38.1(2) . . . . ?
B013 B00V B00W B016 101.4(2) . . . . ?
B013 B00V B012 C00A -135.0(2) . . . . ?
B013 B00V B012 B00X -37.7(2) . . . . ?
B013 B00V B012 B019 -101.0(3) . . . . ?
B013 B00W B011 B00U 100.7(3) . . . . ?
B013 B00W B011 B00X 36.9(2) . . . . ?
B013 B00W B011 B016 138.2(3) . . . . ?
B013 B00W B016 C00E 97.1(2) . . . . ?
B013 B00W B016 B00U -0.4(3) . . . . ?
B013 B00W B016 B010 62.5(3) . . . . ?
B013 B00W B016 B011 -37.8(2) . . . . ?
B013 B00X B011 B00U -138.2(2) . . . . ?
B013 B00X B011 B00W -36.8(2) . . . . ?
B013 B00X B011 B016 -100.6(2) . . . . ?
B013 B00X B012 C00A 99.5(2) . . . . ?
B013 B00X B012 B00V 37.4(2) . . . . ?
B013 B00X B012 B019 138.2(2) . . . . ?
B013 B00X B019 C00A 1.7(3) . . . . ?
B013 B00X B019 B00U 101.1(3) . . . . ?
B013 B00X B019 B010 63.6(3) . . . . ?
B013 B00X B019 B012 -37.2(2) . . . . ?
B013 B011 B016 C00E -1.5(3) . . . . ?
B013 B011 B016 B00U -101.0(3) . . . . ?
B013 B011 B016 B00W 37.3(2) . . . . ?
B013 B011 B016 B010 -63.6(3) . . . . ?
B013 B012 B019 C00A -97.4(2) . . . . ?
B013 B012 B019 B00U 0.1(3) . . . . ?
B013 B012 B019 B00X 37.5(2) . . . . ?
B013 B012 B019 B010 -62.9(3) . . . . ?
B014 C008 C00C C00D -47.3(4) . . . . ?
B014 C008 B00R C003 100.7(2) . . . . ?
B014 C008 B00R B00S 64.9(3) . . . . ?
B014 C008 B00R B00Y -37.2(2) . . . . ?
B014 C008 B00R B00Z 2.1(3) . . . . ?
B014 C008 B00Y B00R 141.3(2) . . . . ?
B014 C008 B00Y B00Z 102.1(3) . . . . ?
B014 C008 B00Y B015 39.3(2) . . . . ?
B014 C008 B017 C003 -137.9(2) . . . . ?
B014 C008 B017 B00T -102.0(2) . . . . ?
B014 C008 B017 B01A -39.1(2) . . . . ?
B014 B00Y B00Z B00R 100.8(3) . . . . ?
B014 B00Y B00Z B00S 63.4(3) . . . . ?
B014 B00Y B00Z B015 -37.2(2) . . . . ?
B014 B00Y B00Z B018 0.2(3) . . . . ?
B014 B00Y B015 B00Z 138.4(3) . . . . ?
B014 B00Y B015 B018 100.9(3) . . . . ?
B014 B00Y B015 B01A 37.3(2) . . . . ?
B014 B015 B018 B00S 63.5(3) . . . . ?
B014 B015 B018 B00T -0.4(3) . . . . ?
B014 B015 B018 B00Z 100.6(2) . . . . ?
B014 B015 B018 B01A -37.7(2) . . . . ?
B014 B015 B01A B00T 101.2(2) . . . . ?
B014 B015 B01A B017 37.7(2) . . . . ?
B014 B015 B01A B018 137.8(3) . . . . ?
B014 B017 B01A B00T -137.9(2) . . . . ?
B014 B017 B01A B015 -37.5(2) . . . . ?
B014 B017 B01A B018 -100.4(3) . . . . ?
B015 B00Y B00Z B00R 138.0(2) . . . . ?
B015 B00Y B00Z B00S 100.6(3) . . . . ?
B015 B00Y B00Z B018 37.4(2) . . . . ?
B015 B00Y B014 C008 -135.1(2) . . . . ?
B015 B00Y B014 B017 -100.6(3) . . . . ?
B015 B00Y B014 B01A -37.6(2) . . . . ?
B015 B00Z B018 B00S 138.5(2) . . . . ?
B015 B00Z B018 B00T 101.1(2) . . . . ?
B015 B00Z B018 B01A 37.4(2) . . . . ?
B015 B014 B017 C003 -61.2(3) . . . . ?
B015 B014 B017 C008 -97.8(2) . . . . ?
B015 B014 B017 B00T 0.0(3) . . . . ?
B015 B014 B017 B01A 37.9(2) . . . . ?
B015 B014 B01A B00T -99.9(2) . . . . ?
B015 B014 B01A B017 -137.7(2) . . . . ?
B015 B014 B01A B018 -37.3(2) . . . . ?
B015 B018 B01A B00T 138.5(2) . . . . ?
B015 B018 B01A B014 37.3(2) . . . . ?
B015 B018 B01A B017 100.6(3) . . . . ?
B016 C00E B00V C00A -100.9(2) . . . . ?
B016 C00E B00V B00W 37.3(2) . . . . ?
B016 C00E B00V B012 -64.5(3) . . . . ?
B016 C00E B00V B013 -1.7(3) . . . . ?
B016 C00E B00W B00V -141.4(2) . . . . ?
B016 C00E B00W B011 -39.4(2) . . . . ?
B016 C00E B00W B013 -102.6(2) . . . . ?
B016 C00E B010 C00A 138.5(2) . . . . ?
B016 C00E B010 B00U 39.3(2) . . . . ?
B016 C00E B010 B019 102.1(2) . . . . ?
B016 B00U B00X B011 -36.9(2) . . . . ?
B016 B00U B00X B012 64.0(3) . . . . ?
B016 B00U B00X B013 0.7(3) . . . . ?
B016 B00U B00X B019 101.3(2) . . . . ?
B016 B00U B010 C00A -99.7(2) . . . . ?
B016 B00U B010 C00E -38.1(2) . . . . ?
B016 B00U B010 B019 -138.1(2) . . . . ?
B016 B00U B011 B00W 37.5(2) . . . . ?
B016 B00U B011 B00X 138.3(2) . . . . ?
B016 B00U B011 B013 100.9(2) . . . . ?
B016 B00U B019 C00A -1.1(3) . . . . ?
B016 B00U B019 B00X -100.0(2) . . . . ?
B016 B00U B019 B010 37.6(2) . . . . ?
B016 B00U B019 B012 -62.7(3) . . . . ?
B016 B00W B011 B00U -37.5(2) . . . . ?
B016 B00W B011 B00X -101.4(3) . . . . ?
B016 B00W B011 B013 -138.2(3) . . . . ?
B016 B00W B013 B00V -100.2(2) . . . . ?
B016 B00W B013 B00X 0.8(3) . . . . ?
B016 B00W B013 B011 37.5(2) . . . . ?
B016 B00W B013 B012 -62.7(3) . . . . ?
B016 B010 B019 C00A 97.6(2) . . . . ?
B016 B010 B019 B00U -37.7(2) . . . . ?
B016 B010 B019 B00X 0.1(3) . . . . ?
B016 B010 B019 B012 63.3(3) . . . . ?
B016 B011 B013 B00V 0.6(3) . . . . ?
B016 B011 B013 B00W -37.5(2) . . . . ?
B016 B011 B013 B00X 101.4(3) . . . . ?
B016 B011 B013 B012 64.1(3) . . . . ?
B017 C003 C008 C00C -109.7(3) . . . . ?
B017 C003 C008 B00R 145.4(2) . . . . ?
B017 C003 C008 B00Y 106.3(2) . . . . ?
B017 C003 C008 B014 39.2(2) . . . . ?
B017 C003 C00B N001 158.9(3) . . . . ?
B017 C003 C00B C00P -24.8(4) . . . . ?
B017 C003 B00R C008 -32.2(2) . . . . ?
B017 C003 B00R B00S 106.2(2) . . . . ?
B017 C003 B00R B00Y 4.2(3) . . . . ?
B017 C003 B00R B00Z 66.8(3) . . . . ?
B017 C003 B00S B00R -103.8(3) . . . . ?
B017 C003 B00S B00T 37.4(2) . . . . ?
B017 C003 B00S B00Z -64.4(3) . . . . ?
B017 C003 B00S B018 -1.6(3) . . . . ?
B017 C003 B00T B00S -141.1(2) . . . . ?
B017 C003 B00T B018 -101.9(3) . . . . ?
B017 C003 B00T B01A -38.9(2) . . . . ?
B017 C008 C00C C00D 27.1(4) . . . . ?
B017 C008 B00R C003 32.3(2) . . . . ?
B017 C008 B00R B00S -3.5(3) . . . . ?
B017 C008 B00R B00Y -105.6(3) . . . . ?
B017 C008 B00R B00Z -66.2(3) . . . . ?
B017 C008 B00Y B00R 104.0(2) . . . . ?
B017 C008 B00Y B00Z 64.7(3) . . . . ?
B017 C008 B00Y B014 -37.3(2) . . . . ?
B017 C008 B00Y B015 2.0(3) . . . . ?
B017 C008 B014 B00Y 141.1(2) . . . . ?
B017 C008 B014 B015 101.6(3) . . . . ?
B017 C008 B014 B01A 38.7(2) . . . . ?
B017 B00T B018 B00S -100.4(2) . . . . ?
B017 B00T B018 B00Z -63.2(3) . . . . ?
B017 B00T B018 B015 0.4(3) . . . . ?
B017 B00T B018 B01A 37.7(2) . . . . ?
B017 B00T B01A B014 -37.7(2) . . . . ?
B017 B00T B01A B015 -100.7(2) . . . . ?
B017 B00T B01A B018 -137.5(2) . . . . ?
B017 B014 B015 B00Y 100.8(2) . . . . ?
B017 B014 B015 B00Z 63.8(3) . . . . ?
B017 B014 B015 B018 0.3(3) . . . . ?
B017 B014 B015 B01A -37.5(2) . . . . ?
B017 B014 B01A B00T 37.8(2) . . . . ?
B017 B014 B01A B015 137.7(2) . . . . ?
B017 B014 B01A B018 100.4(3) . . . . ?
B018 B00S B00T C003 135.2(2) . . . . ?
B018 B00S B00T B017 100.7(3) . . . . ?
B018 B00S B00T B01A 37.8(2) . . . . ?
B018 B00S B00Z B00R -137.9(2) . . . . ?
B018 B00S B00Z B00Y -100.5(2) . . . . ?
B018 B00S B00Z B015 -37.0(2) . . . . ?
B018 B00T B017 C003 97.3(2) . . . . ?
B018 B00T B017 C008 61.1(3) . . . . ?
B018 B00T B017 B014 -0.3(3) . . . . ?
B018 B00T B017 B01A -38.2(2) . . . . ?
B018 B00T B01A B014 99.7(3) . . . . ?
B018 B00T B01A B015 36.8(2) . . . . ?
B018 B00T B01A B017 137.5(2) . . . . ?
B018 B00Z B015 B00Y -138.0(2) . . . . ?
B018 B00Z B015 B014 -100.9(3) . . . . ?
B018 B00Z B015 B01A -37.4(2) . . . . ?
B018 B015 B01A B00T -36.7(2) . . . . ?
B018 B015 B01A B014 -137.8(3) . . . . ?
B018 B015 B01A B017 -100.1(3) . . . . ?
B019 C00A C00E C009 146.8(2) . . . . ?
B019 C00A C00E B00V -106.2(2) . . . . ?
B019 C00A C00E B00W -67.1(3) . . . . ?
B019 C00A C00E B010 39.4(2) . . . . ?
B019 C00A C00E B016 0.4(3) . . . . ?
B019 C00A B00V C00E 100.8(2) . . . . ?
B019 C00A B00V B00W 64.9(3) . . . . ?
B019 C00A B00V B012 -37.2(2) . . . . ?
B019 C00A B00V B013 2.3(3) . . . . ?
B019 C00A B010 C00E -137.9(2) . . . . ?
B019 C00A B010 B00U -39.3(2) . . . . ?
B019 C00A B010 B016 -102.2(2) . . . . ?
B019 C00A B012 B00V 141.4(2) . . . . ?
B019 C00A B012 B00X 39.5(2) . . . . ?
B019 C00A B012 B013 102.1(2) . . . . ?
B019 B00U B00X B011 -138.1(2) . . . . ?
B019 B00U B00X B012 -37.3(2) . . . . ?
B019 B00U B00X B013 -100.6(2) . . . . ?
B019 B00U B010 C00A 38.4(2) . . . . ?
B019 B00U B010 C00E 99.9(2) . . . . ?
B019 B00U B010 B016 138.1(2) . . . . ?
B019 B00U B011 B00W -63.6(3) . . . . ?
B019 B00U B011 B00X 37.3(2) . . . . ?
B019 B00U B011 B013 -0.1(3) . . . . ?
B019 B00U B011 B016 -101.0(2) . . . . ?
B019 B00U B016 C00E 1.4(3) . . . . ?
B019 B00U B016 B00W 63.0(3) . . . . ?
B019 B00U B016 B010 -37.6(2) . . . . ?
B019 B00U B016 B011 100.2(3) . . . . ?
B019 B00X B011 B00U -37.4(2) . . . . ?
B019 B00X B011 B00W 64.0(3) . . . . ?
B019 B00X B011 B013 100.8(2) . . . . ?
B019 B00X B011 B016 0.2(3) . . . . ?
B019 B00X B012 C00A -38.8(2) . . . . ?
B019 B00X B012 B00V -100.8(2) . . . . ?
B019 B00X B012 B013 -138.2(2) . . . . ?
B019 B00X B013 B00V -0.4(3) . . . . ?
B019 B00X B013 B00W -64.4(3) . . . . ?
B019 B00X B013 B011 -100.9(3) . . . . ?
B019 B00X B013 B012 37.3(2) . . . . ?
B019 B010 B016 C00E -97.6(2) . . . . ?
B019 B010 B016 B00U 37.7(2) . . . . ?
B019 B010 B016 B00W -63.2(3) . . . . ?
B019 B010 B016 B011 0.0(3) . . . . ?
B019 B012 B013 B00V 100.5(2) . . . . ?
B019 B012 B013 B00W 62.7(3) . . . . ?
B019 B012 B013 B00X -37.4(2) . . . . ?
B019 B012 B013 B011 -0.2(3) . . . . ?
B01A B00T B017 C003 135.5(2) . . . . ?
B01A B00T B017 C008 99.3(2) . . . . ?
B01A B00T B017 B014 37.9(2) . . . . ?
B01A B00T B018 B00S -138.1(2) . . . . ?
B01A B00T B018 B00Z -100.9(3) . . . . ?
B01A B00T B018 B015 -37.3(2) . . . . ?
B01A B014 B015 B00Y 138.3(3) . . . . ?
B01A B014 B015 B00Z 101.2(3) . . . . ?
B01A B014 B015 B018 37.7(2) . . . . ?
B01A B014 B017 C003 -99.0(2) . . . . ?
B01A B014 B017 C008 -135.7(2) . . . . ?
B01A B014 B017 B00T -37.9(2) . . . . ?
B01A B015 B018 B00S 101.1(2) . . . . ?
B01A B015 B018 B00T 37.2(2) . . . . ?
B01A B015 B018 B00Z 138.3(2) . . . . ?
C01C C01B C01F N004 -1.5(8) . . . . ?
C01D C01E C01G N001 -0.9(7) . . . . ?
C01F N004 C009 C00E 178.8(4) . . . . ?
C01F N004 C009 C00Q 1.6(6) . . . . ?
C01F C01B C01C C00Q 1.7(7) . . . . ?
C01G N001 C00B C003 176.6(3) . . . . ?
C01G N001 C00B C00P 0.4(5) . . . . ?

_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_dddd_a
_database_code_depnum_ccdc_archive 'CCDC 2496933'
loop_
_audit_author_name
_audit_author_address
'Ju-You Lu'
;Hainan University
China
;
_audit_update_record             
;
2025-10-21 deposited with the CCDC.	2026-02-04 downloaded from the CCDC.
;
_audit_creation_date             2024-10-28
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C13 H20 B10 N S, C13 H19 B10 N S'
_chemical_formula_sum            'C26 H41 B20 N2 S2'
_chemical_formula_weight         661.93
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   6.800(4)
_cell_length_b                   12.420(6)
_cell_length_c                   21.506(10)
_cell_angle_alpha                90
_cell_angle_beta                 90.303(19)
_cell_angle_gamma                90
_cell_volume                     1816.4(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5675
_cell_measurement_temperature    193.0
_cell_measurement_theta_max      27.42
_cell_measurement_theta_min      2.51
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.172
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4058
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1759 before and 0.1007 after correction.
The Ratio of minimum to maximum transmission is 0.5443.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            COLOURLESS
_exptl_crystal_density_diffrn    1.210
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             686
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0664
_diffrn_reflns_av_unetI/netI     0.0992
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            15459
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.467
_diffrn_reflns_theta_min         1.893
_diffrn_ambient_temperature      193.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.988
_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_source_current           40.0
_diffrn_source_power             1.8
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.913
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.989
_reflns_number_gt                6200
_reflns_number_total             8033
_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 V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.566
_refine_diff_density_min         -0.553
_refine_diff_density_rms         0.076
_refine_ls_abs_structure_details 
;
 Refined as a perfect inversion twin.
;
_refine_ls_abs_structure_Flack   0.5
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     459
_refine_ls_number_reflns         8033
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0970
_refine_ls_R_factor_gt           0.0731
_refine_ls_restrained_S_all      3.721
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1152P)²+0.6004P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1900
_refine_ls_wR_factor_ref         0.2118
_refine_special_details          
;
 Refined as a 2-component perfect inversion twin.
;
_olex2_refinement_description    
;
1. Restrained distances
 H003-H00B
 2.1 with sigma of 0.01
 C11-H11
 1 with sigma of 0.002
 C12-H12
 1 with sigma of 0.002
2.a Aromatic/amide H refined with riding coordinates:
 N003(H003), C005(H005), C007(H007), C00B(H00B), C00D(H00D), C00J(H00J),
 C10(H10), C00L(H00L), C00M(H00M), C00N(H00N), C00O(H00O), C00P(H00P),
 C00Q(H00Q), C00S(H00S), C00U(H00U), C00W(H00W), C00X(H00X)
2.b Boron cage BH refined with riding coordinates:
 B00R(H00R), B00T(H00T), B00V(H00V), B00Y(H00Y), B00Z(H00Z), B010(H010),
 B011(H011), B012(H012), B013(H013), B014(H014), B015(H015), B016(H016),
 B017(H017), B018(H018), B019(H019), B01A(H01A), B01B(H01B), B01C(H01C),
 B01D(H01D), B01E(H01E)
;
_atom_sites_solution_hydrogens   mixed
_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
S01 S 0.5114(3) 0.35571(14) 0.27846(7) 0.0440(4) Uani 1 1 d . . . . .
S02 S 0.0111(3) 0.64641(14) 0.22160(7) 0.0437(4) Uani 1 1 d . . . . .
N003 N 1.0169(8) 0.0510(5) 0.3886(2) 0.0401(13) Uani 1 1 d . . . . .
H003 H 1.0897 0.0988 0.4083 0.048 Uiso 1 1 calc DR U . . .
N004 N 0.5232(8) 0.9531(4) 0.1112(2) 0.0384(12) Uani 1 1 d . . . . .
C005 C 0.1051(7) 0.7610(4) 0.0902(2) 0.0246(10) Uani 1 1 d . . . . .
H005 H 0.2039 0.7239 0.1130 0.030 Uiso 1 1 calc R U . . .
C006 C 0.8445(8) 0.0240(4) 0.4104(2) 0.0254(10) Uani 1 1 d . . . . .
C007 C -0.0744(7) 0.7675(4) 0.1141(2) 0.0255(10) Uani 1 1 d . . . . .
H007 H -0.1670 0.8107 0.0922 0.031 Uiso 1 1 calc R U . . .
C008 C 0.7877(7) 0.0741(4) 0.4718(2) 0.0221(10) Uani 1 1 d . . . . .
C009 C 0.3463(8) 0.9785(4) 0.0897(2) 0.0256(10) Uani 1 1 d . . . . .
C11 C -0.3515(10) 0.7099(4) 0.1903(2) 0.0321(13) Uani 1 1 d D . . . .
C00B C 0.4315(8) 0.2330(4) 0.3855(2) 0.0279(11) Uani 1 1 d . . . . .
H00B H 0.3423 0.1865 0.4062 0.033 Uiso 1 1 calc DR U . . .
C00C C 0.1587(7) 0.8096(4) 0.0285(2) 0.0232(10) Uani 1 1 d . . . . .
C00D C 0.6063(8) 0.2416(4) 0.4105(2) 0.0271(11) Uani 1 1 d . . . . .
H00D H 0.7041 0.2810 0.3888 0.033 Uiso 1 1 calc R U . . .
C12 C 0.1477(10) 0.2923(4) 0.3098(2) 0.0335(13) Uani 1 1 d D . . . .
C00F C 0.6585(7) 0.1922(4) 0.4711(2) 0.0225(10) Uani 1 1 d . . . . .
C00G C 0.2882(7) 0.9283(4) 0.0282(2) 0.0232(10) Uani 1 1 d . . . . .
C00H C 0.3552(8) 0.2873(4) 0.3288(2) 0.0272(11) Uani 1 1 d . . . . .
C00I C -0.1443(8) 0.7147(4) 0.1711(2) 0.0267(11) Uani 1 1 d . . . . .
C00J C 0.4715(12) 1.0700(6) 0.1986(3) 0.0488(18) Uani 1 1 d . . . . .
H00J H 0.5197 1.1003 0.2363 0.059 Uiso 1 1 calc R U . . .
C10 C 0.1407(9) 0.3564(5) 0.2525(2) 0.0381(13) Uani 1 1 d . . . . .
H10 H 0.0212 0.3720 0.2313 0.046 Uiso 1 1 calc R U . . .
C00L C 1.0834(11) 0.0040(6) 0.3349(3) 0.0499(17) Uani 1 1 d . . . . .
H00L H 1.2108 0.0219 0.3202 0.060 Uiso 1 1 calc R U . . .
C00M C 0.9704(12) -0.0683(6) 0.3017(3) 0.0502(18) Uani 1 1 d . . . . .
H00M H 1.0176 -0.0999 0.2644 0.060 Uiso 1 1 calc R U . . .
C00N C 0.3166(10) 0.3916(5) 0.2323(3) 0.0394(14) Uani 1 1 d . . . . .
H00N H 0.3312 0.4330 0.1954 0.047 Uiso 1 1 calc R U . . .
C00O C -0.3601(9) 0.6465(5) 0.2472(2) 0.0379(13) Uani 1 1 d . . . . .
H00O H -0.4796 0.6320 0.2682 0.046 Uiso 1 1 calc R U . . .
C00P C -0.1828(10) 0.6096(5) 0.2676(3) 0.0424(15) Uani 1 1 d . . . . .
H00P H -0.1677 0.5673 0.3041 0.051 Uiso 1 1 calc R U . . .
C00Q C 0.7200(10) -0.0476(5) 0.3803(3) 0.0385(14) Uani 1 1 d . . . . .
H00Q H 0.5947 -0.0650 0.3969 0.046 Uiso 1 1 calc R U . . .
B00R B 0.9085(8) 0.1924(5) 0.4912(3) 0.0240(11) Uani 1 1 d . . . . .
H00R H 1.0259 0.2303 0.4622 0.029 Uiso 1 1 calc R U . . .
C00S C 0.2206(10) 1.0504(5) 0.1204(3) 0.0394(14) Uani 1 1 d . . . . .
H00S H 0.0945 1.0671 0.1038 0.047 Uiso 1 1 calc R U . . .
B00T B 0.4071(9) 0.8099(5) 0.0085(3) 0.0248(11) Uani 1 1 d . . . . .
H00T H 0.5244 0.7717 0.0378 0.030 Uiso 1 1 calc R U . . .
C00U C 0.5819(11) 0.9983(6) 0.1645(3) 0.0514(17) Uani 1 1 d . . . . .
H00U H 0.7086 0.9797 0.1800 0.062 Uiso 1 1 calc R U . . .
B00V B 0.2302(9) 0.7315(5) -0.0335(3) 0.0284(12) Uani 1 1 d . . . . .
H00V H 0.2327 0.6414 -0.0329 0.034 Uiso 1 1 calc R U . . .
C00W C 0.7856(12) -0.0934(5) 0.3245(3) 0.0493(18) Uani 1 1 d . . . . .
H00W H 0.7031 -0.1418 0.3023 0.059 Uiso 1 1 calc R U . . .
C00X C 0.2851(12) 1.0961(5) 0.1753(3) 0.0521(18) Uani 1 1 d . . . . .
H00X H 0.2034 1.1451 0.1971 0.063 Uiso 1 1 calc R U . . .
B00Y B 0.5412(9) 0.0757(5) 0.4935(3) 0.0247(11) Uani 1 1 d . . . . .
H00Y H 0.4209 0.0372 0.4655 0.030 Uiso 1 1 calc R U . . .
B00Z B 0.0403(8) 0.9264(5) 0.0064(3) 0.0251(12) Uani 1 1 d . . . . .
H00Z H -0.0800 0.9644 0.0343 0.030 Uiso 1 1 calc R U . . .
B010 B 0.5410(9) 0.0757(5) 0.5757(3) 0.0299(13) Uani 1 1 d . . . . .
H010 H 0.4208 0.0369 0.6031 0.036 Uiso 1 1 calc R U . . .
B011 B 0.0408(9) 0.9270(5) -0.0758(3) 0.0292(13) Uani 1 1 d . . . . .
H011 H -0.0802 0.9658 -0.1033 0.035 Uiso 1 1 calc R U . . .
B012 B 0.2941(9) 0.9292(5) -0.1008(3) 0.0300(13) Uani 1 1 d . . . . .
H012 H 0.3379 0.9695 -0.1452 0.036 Uiso 1 1 calc R U . . .
B013 B 0.4488(9) 0.9318(5) -0.0331(3) 0.0269(12) Uani 1 1 d . . . . .
H013 H 0.5947 0.9736 -0.0321 0.032 Uiso 1 1 calc R U . . .
B014 B 0.7319(9) 0.2701(5) 0.5333(3) 0.0290(12) Uani 1 1 d . . . . .
H014 H 0.7364 0.3602 0.5326 0.035 Uiso 1 1 calc R U . . .
B015 B 0.7933(9) 0.0731(5) 0.6013(3) 0.0290(12) Uani 1 1 d . . . . .
H015 H 0.8375 0.0330 0.6459 0.035 Uiso 1 1 calc R U . . .
B016 B 0.5006(9) 0.1970(5) 0.5341(3) 0.0274(13) Uani 1 1 d . . . . .
H016 H 0.3543 0.2384 0.5337 0.033 Uiso 1 1 calc R U . . .
B017 B 0.4139(9) 0.8089(5) -0.0740(3) 0.0289(12) Uani 1 1 d . . . . .
H017 H 0.5370 0.7700 -0.1001 0.035 Uiso 1 1 calc R U . . .
B018 B 0.7211(9) -0.0020(5) 0.5343(3) 0.0266(12) Uani 1 1 d . . . . .
H018 H 0.7187 -0.0921 0.5341 0.032 Uiso 1 1 calc R U . . .
B019 B 0.0016(9) 0.8052(5) -0.0344(3) 0.0280(13) Uani 1 1 d . . . . .
H019 H -0.1446 0.7637 -0.0343 0.034 Uiso 1 1 calc R U . . .
B01A B 0.9120(9) 0.1937(5) 0.5739(3) 0.0286(12) Uani 1 1 d . . . . .
H01A H 1.0346 0.2330 0.6005 0.034 Uiso 1 1 calc R U . . .
B01B B 0.2217(9) 1.0051(5) -0.0343(3) 0.0265(12) Uani 1 1 d . . . . .
H01B H 0.2196 1.0953 -0.0341 0.032 Uiso 1 1 calc R U . . .
B01C B 0.9486(9) 0.0709(5) 0.5330(3) 0.0266(12) Uani 1 1 d . . . . .
H01C H 1.0946 0.0292 0.5322 0.032 Uiso 1 1 calc R U . . .
B01D B 0.1619(10) 0.8059(5) -0.1012(3) 0.0306(13) Uani 1 1 d . . . . .
H01D H 0.1207 0.7647 -0.1457 0.037 Uiso 1 1 calc R U . . .
B01E B 0.6594(10) 0.1968(5) 0.6006(3) 0.0314(13) Uani 1 1 d . . . . .
H01E H 0.6168 0.2385 0.6447 0.038 Uiso 1 1 calc R U . . .
H12 H 0.017(4) 0.275(6) 0.328(3) 0.05(2) Uiso 1 1 d D . . . .
H11 H -0.442(8) 0.766(4) 0.174(3) 0.06(2) Uiso 1 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
S01 C00H 1.741(5) . ?
S01 C00N 1.710(6) . ?
S02 C00I 1.732(5) . ?
S02 C00P 1.714(7) . ?
N003 H003 0.8800 . ?
N003 C006 1.308(7) . ?
N003 C00L 1.373(7) . ?
N004 C009 1.324(7) . ?
N004 C00U 1.336(8) . ?
C005 H005 0.9500 . ?
C005 C007 1.330(7) . ?
C005 C00C 1.504(6) . ?
C006 C008 1.512(7) . ?
C006 C00Q 1.386(8) . ?
C007 H007 0.9500 . ?
C007 C00I 1.472(7) . ?
C008 C00F 1.711(7) . ?
C008 B00R 1.734(7) . ?
C008 B00Y 1.742(8) . ?
C008 B018 1.705(7) . ?
C008 B01C 1.708(7) . ?
C009 C00G 1.513(7) . ?
C009 C00S 1.403(8) . ?
C11 C00I 1.471(8) . ?
C11 C00O 1.457(7) . ?
C11 H11 0.999(3) . ?
C00B H00B 0.9500 . ?
C00B C00D 1.306(7) . ?
C00B C00H 1.486(7) . ?
C00C C00G 1.717(7) . ?
C00C B00T 1.745(8) . ?
C00C B00V 1.721(8) . ?
C00C B00Z 1.724(8) . ?
C00C B019 1.719(7) . ?
C00D H00D 0.9500 . ?
C00D C00F 1.482(7) . ?
C12 C00H 1.468(8) . ?
C12 C10 1.467(7) . ?
C12 H12 0.999(3) . ?
C00F B00R 1.752(7) . ?
C00F B00Y 1.723(8) . ?
C00F B014 1.722(8) . ?
C00F B016 1.734(7) . ?
C00G B00T 1.731(7) . ?
C00G B00Z 1.747(8) . ?
C00G B013 1.717(7) . ?
C00G B01B 1.707(7) . ?
C00J H00J 0.9500 . ?
C00J C00U 1.379(10) . ?
C00J C00X 1.399(11) . ?
C10 H10 0.9500 . ?
C10 C00N 1.348(9) . ?
C00L H00L 0.9500 . ?
C00L C00M 1.379(10) . ?
C00M H00M 0.9500 . ?
C00M C00W 1.387(11) . ?
C00N H00N 0.9500 . ?
C00O H00O 0.9500 . ?
C00O C00P 1.361(9) . ?
C00P H00P 0.9500 . ?
C00Q H00Q 0.9500 . ?
C00Q C00W 1.403(9) . ?
B00R H00R 1.1200 . ?
B00R B014 1.789(8) . ?
B00R B01A 1.778(8) . ?
B00R B01C 1.777(8) . ?
C00S H00S 0.9500 . ?
C00S C00X 1.379(9) . ?
B00T H00T 1.1200 . ?
B00T B00V 1.789(9) . ?
B00T B013 1.782(8) . ?
B00T B017 1.776(8) . ?
C00U H00U 0.9500 . ?
B00V H00V 1.1200 . ?
B00V B017 1.804(9) . ?
B00V B019 1.803(9) . ?
B00V B01D 1.783(8) . ?
C00W H00W 0.9500 . ?
C00X H00X 0.9500 . ?
B00Y H00Y 1.1200 . ?
B00Y B010 1.767(8) . ?
B00Y B016 1.764(9) . ?
B00Y B018 1.784(8) . ?
B00Z H00Z 1.1200 . ?
B00Z B011 1.768(8) . ?
B00Z B019 1.761(9) . ?
B00Z B01B 1.804(8) . ?
B010 H010 1.1200 . ?
B010 B015 1.799(9) . ?
B010 B016 1.772(9) . ?
B010 B018 1.798(9) . ?
B010 B01E 1.787(9) . ?
B011 H011 1.1200 . ?
B011 B012 1.807(9) . ?
B011 B019 1.777(9) . ?
B011 B01B 1.800(9) . ?
B011 B01D 1.801(9) . ?
B012 H012 1.1200 . ?
B012 B013 1.792(9) . ?
B012 B017 1.796(9) . ?
B012 B01B 1.784(8) . ?
B012 B01D 1.776(9) . ?
B013 H013 1.1200 . ?
B013 B017 1.778(9) . ?
B013 B01B 1.793(8) . ?
B014 H014 1.1200 . ?
B014 B016 1.816(9) . ?
B014 B01A 1.775(9) . ?
B014 B01E 1.782(8) . ?
B015 H015 1.1200 . ?
B015 B018 1.783(8) . ?
B015 B01A 1.803(9) . ?
B015 B01C 1.813(8) . ?
B015 B01E 1.786(9) . ?
B016 H016 1.1200 . ?
B016 B01E 1.787(9) . ?
B017 H017 1.1200 . ?
B017 B01D 1.808(9) . ?
B018 H018 1.1200 . ?
B018 B01C 1.793(8) . ?
B019 H019 1.1200 . ?
B019 B01D 1.808(9) . ?
B01A H01A 1.1200 . ?
B01A B01C 1.779(9) . ?
B01A B01E 1.814(9) . ?
B01B H01B 1.1200 . ?
B01C H01C 1.1200 . ?
B01D H01D 1.1200 . ?
B01E H01E 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
C00N S01 C00H 90.9(3) . . ?
C00P S02 C00I 91.4(3) . . ?
C006 N003 H003 120.2 . . ?
C006 N003 C00L 119.5(5) . . ?
C00L N003 H003 120.2 . . ?
C009 N004 C00U 117.8(6) . . ?
C007 C005 H005 118.5 . . ?
C007 C005 C00C 123.0(4) . . ?
C00C C005 H005 118.5 . . ?
N003 C006 C008 116.2(5) . . ?
N003 C006 C00Q 122.9(5) . . ?
C00Q C006 C008 120.9(5) . . ?
C005 C007 H007 116.7 . . ?
C005 C007 C00I 126.6(5) . . ?
C00I C007 H007 116.7 . . ?
C006 C008 C00F 118.6(4) . . ?
C006 C008 B00R 115.8(4) . . ?
C006 C008 B00Y 119.3(4) . . ?
C006 C008 B018 122.1(4) . . ?
C006 C008 B01C 119.9(4) . . ?
C00F C008 B00R 61.2(3) . . ?
C00F C008 B00Y 59.8(3) . . ?
B00R C008 B00Y 112.4(4) . . ?
B018 C008 C00F 110.1(4) . . ?
B018 C008 B00R 114.0(4) . . ?
B018 C008 B00Y 62.3(3) . . ?
B018 C008 B01C 63.4(3) . . ?
B01C C008 C00F 110.7(4) . . ?
B01C C008 B00R 62.2(3) . . ?
B01C C008 B00Y 114.1(4) . . ?
N004 C009 C00G 116.1(5) . . ?
N004 C009 C00S 122.8(5) . . ?
C00S C009 C00G 121.1(5) . . ?
C00I C11 H11 118(4) . . ?
C00O C11 C00I 107.4(5) . . ?
C00O C11 H11 131(4) . . ?
C00D C00B H00B 116.1 . . ?
C00D C00B C00H 127.9(5) . . ?
C00H C00B H00B 116.1 . . ?
C005 C00C C00G 118.4(4) . . ?
C005 C00C B00T 117.2(4) . . ?
C005 C00C B00V 121.8(4) . . ?
C005 C00C B00Z 117.8(4) . . ?
C005 C00C B019 121.9(4) . . ?
C00G C00C B00T 60.0(3) . . ?
C00G C00C B00V 109.5(4) . . ?
C00G C00C B00Z 61.0(3) . . ?
C00G C00C B019 109.9(4) . . ?
B00V C00C B00T 62.1(3) . . ?
B00V C00C B00Z 113.2(4) . . ?
B00Z C00C B00T 112.4(4) . . ?
B019 C00C B00T 113.9(4) . . ?
B019 C00C B00V 63.2(3) . . ?
B019 C00C B00Z 61.5(3) . . ?
C00B C00D H00D 118.6 . . ?
C00B C00D C00F 122.7(5) . . ?
C00F C00D H00D 118.6 . . ?
C00H C12 H12 137(4) . . ?
C10 C12 C00H 106.5(5) . . ?
C10 C12 H12 115(4) . . ?
C008 C00F B00R 60.1(3) . . ?
C008 C00F B00Y 61.0(3) . . ?
C008 C00F B014 109.1(4) . . ?
C008 C00F B016 110.0(4) . . ?
C00D C00F C008 118.9(4) . . ?
C00D C00F B00R 116.4(4) . . ?
C00D C00F B00Y 119.0(4) . . ?
C00D C00F B014 121.2(4) . . ?
C00D C00F B016 121.8(4) . . ?
B00Y C00F B00R 112.5(4) . . ?
B00Y C00F B016 61.4(3) . . ?
B014 C00F B00R 62.0(3) . . ?
B014 C00F B00Y 112.8(4) . . ?
B014 C00F B016 63.4(3) . . ?
B016 C00F B00R 114.3(4) . . ?
C009 C00G C00C 118.8(4) . . ?
C009 C00G B00T 116.3(4) . . ?
C009 C00G B00Z 119.1(4) . . ?
C009 C00G B013 119.8(4) . . ?
C009 C00G B01B 121.7(4) . . ?
C00C C00G B00T 60.8(3) . . ?
C00C C00G B00Z 59.7(3) . . ?
B00T C00G B00Z 112.0(4) . . ?
B013 C00G C00C 110.7(4) . . ?
B013 C00G B00T 62.3(3) . . ?
B013 C00G B00Z 114.3(4) . . ?
B01B C00G C00C 110.4(4) . . ?
B01B C00G B00T 113.9(4) . . ?
B01B C00G B00Z 63.0(3) . . ?
B01B C00G B013 63.1(3) . . ?
C00B C00H S01 121.4(4) . . ?
C12 C00H S01 113.3(4) . . ?
C12 C00H C00B 125.4(5) . . ?
C007 C00I S02 122.8(4) . . ?
C11 C00I S02 112.8(4) . . ?
C11 C00I C007 124.4(5) . . ?
C00U C00J H00J 121.5 . . ?
C00U C00J C00X 117.0(6) . . ?
C00X C00J H00J 121.5 . . ?
C12 C10 H10 122.5 . . ?
C00N C10 C12 114.9(6) . . ?
C00N C10 H10 122.5 . . ?
N003 C00L H00L 119.1 . . ?
N003 C00L C00M 121.8(6) . . ?
C00M C00L H00L 119.1 . . ?
C00L C00M H00M 121.1 . . ?
C00L C00M C00W 117.8(6) . . ?
C00W C00M H00M 121.1 . . ?
S01 C00N H00N 122.8 . . ?
C10 C00N S01 114.5(5) . . ?
C10 C00N H00N 122.8 . . ?
C11 C00O H00O 122.8 . . ?
C00P C00O C11 114.4(5) . . ?
C00P C00O H00O 122.8 . . ?
S02 C00P H00P 123.0 . . ?
C00O C00P S02 114.0(5) . . ?
C00O C00P H00P 123.0 . . ?
C006 C00Q H00Q 121.2 . . ?
C006 C00Q C00W 117.6(6) . . ?
C00W C00Q H00Q 121.2 . . ?
C008 B00R C00F 58.8(3) . . ?
C008 B00R H00R 124.1 . . ?
C008 B00R B014 105.1(4) . . ?
C008 B00R B01A 104.6(4) . . ?
C008 B00R B01C 58.2(3) . . ?
C00F B00R H00R 123.8 . . ?
C00F B00R B014 58.2(3) . . ?
C00F B00R B01A 104.8(4) . . ?
C00F B00R B01C 105.7(4) . . ?
B014 B00R H00R 122.5 . . ?
B01A B00R H00R 123.2 . . ?
B01A B00R B014 59.7(3) . . ?
B01C B00R H00R 122.1 . . ?
B01C B00R B014 107.7(4) . . ?
B01C B00R B01A 60.1(3) . . ?
C009 C00S H00S 120.9 . . ?
C00X C00S C009 118.2(6) . . ?
C00X C00S H00S 120.9 . . ?
C00C B00T H00T 123.3 . . ?
C00C B00T B00V 58.3(3) . . ?
C00C B00T B013 106.4(4) . . ?
C00C B00T B017 106.1(4) . . ?
C00G B00T C00C 59.2(3) . . ?
C00G B00T H00T 123.7 . . ?
C00G B00T B00V 105.8(4) . . ?
C00G B00T B013 58.5(3) . . ?
C00G B00T B017 105.4(4) . . ?
B00V B00T H00T 121.9 . . ?
B013 B00T H00T 121.9 . . ?
B013 B00T B00V 108.5(4) . . ?
B017 B00T H00T 122.4 . . ?
B017 B00T B00V 60.8(3) . . ?
B017 B00T B013 60.0(3) . . ?
N004 C00U C00J 124.5(7) . . ?
N004 C00U H00U 117.7 . . ?
C00J C00U H00U 117.7 . . ?
C00C B00V B00T 59.6(3) . . ?
C00C B00V H00V 124.0 . . ?
C00C B00V B017 105.9(4) . . ?
C00C B00V B019 58.3(3) . . ?
C00C B00V B01D 105.5(4) . . ?
B00T B00V H00V 121.9 . . ?
B00T B00V B017 59.3(3) . . ?
B00T B00V B019 107.8(4) . . ?
B017 B00V H00V 121.8 . . ?
B019 B00V H00V 121.3 . . ?
B019 B00V B017 108.9(4) . . ?
B01D B00V B00T 107.6(4) . . ?
B01D B00V H00V 122.0 . . ?
B01D B00V B017 60.5(3) . . ?
B01D B00V B019 60.5(3) . . ?
C00M C00W C00Q 120.3(6) . . ?
C00M C00W H00W 119.8 . . ?
C00Q C00W H00W 119.8 . . ?
C00J C00X H00X 120.1 . . ?
C00S C00X C00J 119.7(6) . . ?
C00S C00X H00X 120.1 . . ?
C008 B00Y H00Y 123.5 . . ?
C008 B00Y B010 105.8(4) . . ?
C008 B00Y B016 107.2(4) . . ?
C008 B00Y B018 57.8(3) . . ?
C00F B00Y C008 59.2(3) . . ?
C00F B00Y H00Y 123.1 . . ?
C00F B00Y B010 106.4(4) . . ?
C00F B00Y B016 59.6(3) . . ?
C00F B00Y B018 105.9(4) . . ?
B010 B00Y H00Y 122.2 . . ?
B010 B00Y B018 60.8(3) . . ?
B016 B00Y H00Y 121.0 . . ?
B016 B00Y B010 60.3(3) . . ?
B016 B00Y B018 109.1(4) . . ?
B018 B00Y H00Y 122.0 . . ?
C00C B00Z C00G 59.3(3) . . ?
C00C B00Z H00Z 123.3 . . ?
C00C B00Z B011 106.0(4) . . ?
C00C B00Z B019 59.1(3) . . ?
C00C B00Z B01B 105.7(4) . . ?
C00G B00Z H00Z 123.9 . . ?
C00G B00Z B011 105.1(4) . . ?
C00G B00Z B019 106.6(4) . . ?
C00G B00Z B01B 57.4(3) . . ?
B011 B00Z H00Z 122.5 . . ?
B011 B00Z B01B 60.5(3) . . ?
B019 B00Z H00Z 121.2 . . ?
B019 B00Z B011 60.5(3) . . ?
B019 B00Z B01B 108.8(4) . . ?
B01B B00Z H00Z 122.3 . . ?
B00Y B010 H010 122.1 . . ?
B00Y B010 B015 107.5(4) . . ?
B00Y B010 B016 59.8(3) . . ?
B00Y B010 B018 60.1(3) . . ?
B00Y B010 B01E 107.3(4) . . ?
B015 B010 H010 121.9 . . ?
B016 B010 H010 121.3 . . ?
B016 B010 B015 108.3(4) . . ?
B016 B010 B018 108.1(4) . . ?
B016 B010 B01E 60.3(4) . . ?
B018 B010 H010 122.1 . . ?
B018 B010 B015 59.4(3) . . ?
B01E B010 H010 122.2 . . ?
B01E B010 B015 59.7(4) . . ?
B01E B010 B018 107.1(4) . . ?
B00Z B011 H011 121.7 . . ?
B00Z B011 B012 107.7(4) . . ?
B00Z B011 B019 59.6(3) . . ?
B00Z B011 B01B 60.8(3) . . ?
B00Z B011 B01D 107.6(4) . . ?
B012 B011 H011 122.3 . . ?
B019 B011 H011 121.3 . . ?
B019 B011 B012 107.9(4) . . ?
B019 B011 B01B 108.3(4) . . ?
B019 B011 B01D 60.7(4) . . ?
B01B B011 H011 121.9 . . ?
B01B B011 B012 59.3(3) . . ?
B01B B011 B01D 106.7(4) . . ?
B01D B011 H011 122.3 . . ?
B01D B011 B012 59.0(4) . . ?
B011 B012 H012 121.2 . . ?
B013 B012 B011 108.4(4) . . ?
B013 B012 H012 121.8 . . ?
B013 B012 B017 59.4(3) . . ?
B017 B012 B011 108.9(4) . . ?
B017 B012 H012 121.5 . . ?
B01B B012 B011 60.1(3) . . ?
B01B B012 H012 121.6 . . ?
B01B B012 B013 60.2(3) . . ?
B01B B012 B017 108.0(4) . . ?
B01D B012 B011 60.3(4) . . ?
B01D B012 H012 121.2 . . ?
B01D B012 B013 108.3(4) . . ?
B01D B012 B017 60.8(4) . . ?
B01D B012 B01B 108.5(4) . . ?
C00G B013 B00T 59.3(3) . . ?
C00G B013 B012 104.5(4) . . ?
C00G B013 H013 124.4 . . ?
C00G B013 B017 105.9(4) . . ?
C00G B013 B01B 58.2(3) . . ?
B00T B013 B012 107.4(4) . . ?
B00T B013 H013 121.8 . . ?
B00T B013 B01B 107.4(4) . . ?
B012 B013 H013 122.7 . . ?
B012 B013 B01B 59.7(3) . . ?
B017 B013 B00T 59.8(3) . . ?
B017 B013 B012 60.4(4) . . ?
B017 B013 H013 121.6 . . ?
B017 B013 B01B 108.4(4) . . ?
B01B B013 H013 121.9 . . ?
C00F B014 B00R 59.9(3) . . ?
C00F B014 H014 124.0 . . ?
C00F B014 B016 58.6(3) . . ?
C00F B014 B01A 106.2(4) . . ?
C00F B014 B01E 105.3(4) . . ?
B00R B014 H014 120.9 . . ?
B00R B014 B016 108.6(4) . . ?
B016 B014 H014 121.5 . . ?
B01A B014 B00R 59.8(3) . . ?
B01A B014 H014 121.4 . . ?
B01A B014 B016 108.9(4) . . ?
B01A B014 B01E 61.3(4) . . ?
B01E B014 B00R 109.0(4) . . ?
B01E B014 H014 121.9 . . ?
B01E B014 B016 59.6(3) . . ?
B010 B015 H015 121.4 . . ?
B010 B015 B01A 108.2(4) . . ?
B010 B015 B01C 108.1(4) . . ?
B018 B015 B010 60.3(3) . . ?
B018 B015 H015 122.1 . . ?
B018 B015 B01A 107.0(4) . . ?
B018 B015 B01C 59.8(3) . . ?
B018 B015 B01E 107.8(4) . . ?
B01A B015 H015 122.0 . . ?
B01A B015 B01C 58.9(3) . . ?
B01C B015 H015 122.1 . . ?
B01E B015 B010 59.8(4) . . ?
B01E B015 H015 121.6 . . ?
B01E B015 B01A 60.7(4) . . ?
B01E B015 B01C 107.8(4) . . ?
C00F B016 B00Y 59.0(3) . . ?
C00F B016 B010 105.7(4) . . ?
C00F B016 B014 58.0(3) . . ?
C00F B016 H016 124.3 . . ?
C00F B016 B01E 104.6(4) . . ?
B00Y B016 B010 60.0(4) . . ?
B00Y B016 B014 106.5(4) . . ?
B00Y B016 H016 122.0 . . ?
B00Y B016 B01E 107.4(4) . . ?
B010 B016 B014 107.3(4) . . ?
B010 B016 H016 121.9 . . ?
B010 B016 B01E 60.3(4) . . ?
B014 B016 H016 122.7 . . ?
B01E B016 B014 59.3(3) . . ?
B01E B016 H016 122.6 . . ?
B00T B017 B00V 60.0(3) . . ?
B00T B017 B012 107.4(4) . . ?
B00T B017 B013 60.2(3) . . ?
B00T B017 H017 121.9 . . ?
B00T B017 B01D 107.0(4) . . ?
B00V B017 H017 122.3 . . ?
B00V B017 B01D 59.2(3) . . ?
B012 B017 B00V 106.5(4) . . ?
B012 B017 H017 122.5 . . ?
B012 B017 B01D 59.1(3) . . ?
B013 B017 B00V 108.0(4) . . ?
B013 B017 B012 60.2(4) . . ?
B013 B017 H017 121.4 . . ?
B013 B017 B01D 107.5(4) . . ?
B01D B017 H017 122.6 . . ?
C008 B018 B00Y 59.9(3) . . ?
C008 B018 B010 106.1(4) . . ?
C008 B018 B015 105.9(4) . . ?
C008 B018 H018 123.7 . . ?
C008 B018 B01C 58.4(3) . . ?
B00Y B018 B010 59.1(3) . . ?
B00Y B018 H018 121.9 . . ?
B00Y B018 B01C 108.0(4) . . ?
B010 B018 H018 121.9 . . ?
B015 B018 B00Y 107.5(4) . . ?
B015 B018 B010 60.3(3) . . ?
B015 B018 H018 122.0 . . ?
B015 B018 B01C 60.9(3) . . ?
B01C B018 B010 109.1(4) . . ?
B01C B018 H018 121.1 . . ?
C00C B019 B00V 58.4(3) . . ?
C00C B019 B00Z 59.4(3) . . ?
C00C B019 B011 105.8(4) . . ?
C00C B019 H019 124.2 . . ?
C00C B019 B01D 104.5(4) . . ?
B00V B019 H019 122.1 . . ?
B00V B019 B01D 59.2(3) . . ?
B00Z B019 B00V 107.6(4) . . ?
B00Z B019 B011 60.0(4) . . ?
B00Z B019 H019 121.5 . . ?
B00Z B019 B01D 107.6(4) . . ?
B011 B019 B00V 107.8(4) . . ?
B011 B019 H019 121.8 . . ?
B011 B019 B01D 60.3(4) . . ?
B01D B019 H019 122.8 . . ?
B00R B01A B015 108.4(4) . . ?
B00R B01A H01A 121.4 . . ?
B00R B01A B01C 59.9(3) . . ?
B00R B01A B01E 108.0(4) . . ?
B014 B01A B00R 60.5(3) . . ?
B014 B01A B015 107.2(4) . . ?
B014 B01A H01A 121.9 . . ?
B014 B01A B01C 108.2(4) . . ?
B014 B01A B01E 59.5(3) . . ?
B015 B01A H01A 121.9 . . ?
B015 B01A B01E 59.2(3) . . ?
B01C B01A B015 60.8(3) . . ?
B01C B01A H01A 121.3 . . ?
B01C B01A B01E 108.1(4) . . ?
B01E B01A H01A 122.2 . . ?
C00G B01B B00Z 59.6(3) . . ?
C00G B01B B011 105.5(4) . . ?
C00G B01B B012 105.2(4) . . ?
C00G B01B B013 58.7(3) . . ?
C00G B01B H01B 124.0 . . ?
B00Z B01B H01B 122.1 . . ?
B011 B01B B00Z 58.8(3) . . ?
B011 B01B H01B 122.1 . . ?
B012 B01B B00Z 107.2(4) . . ?
B012 B01B B011 60.6(3) . . ?
B012 B01B B013 60.1(3) . . ?
B012 B01B H01B 122.3 . . ?
B013 B01B B00Z 108.0(4) . . ?
B013 B01B B011 108.7(4) . . ?
B013 B01B H01B 121.3 . . ?
C008 B01C B00R 59.6(3) . . ?
C008 B01C B015 104.5(4) . . ?
C008 B01C B018 58.2(3) . . ?
C008 B01C B01A 105.7(4) . . ?
C008 B01C H01C 124.3 . . ?
B00R B01C B015 108.0(4) . . ?
B00R B01C B018 107.8(4) . . ?
B00R B01C B01A 60.0(3) . . ?
B00R B01C H01C 121.2 . . ?
B015 B01C H01C 122.7 . . ?
B018 B01C B015 59.3(3) . . ?
B018 B01C H01C 122.2 . . ?
B01A B01C B015 60.2(3) . . ?
B01A B01C B018 107.6(4) . . ?
B01A B01C H01C 122.0 . . ?
B00V B01D B011 107.6(4) . . ?
B00V B01D B017 60.3(3) . . ?
B00V B01D B019 60.3(3) . . ?
B00V B01D H01D 121.7 . . ?
B011 B01D B017 108.6(4) . . ?
B011 B01D B019 59.0(3) . . ?
B011 B01D H01D 121.9 . . ?
B012 B01D B00V 108.2(4) . . ?
B012 B01D B011 60.7(4) . . ?
B012 B01D B017 60.1(4) . . ?
B012 B01D B019 107.9(4) . . ?
B012 B01D H01D 121.4 . . ?
B017 B01D H01D 121.2 . . ?
B019 B01D B017 108.5(4) . . ?
B019 B01D H01D 121.9 . . ?
B010 B01E B016 59.5(4) . . ?
B010 B01E B01A 108.2(4) . . ?
B010 B01E H01E 121.7 . . ?
B014 B01E B010 108.2(4) . . ?
B014 B01E B015 107.6(4) . . ?
B014 B01E B016 61.2(3) . . ?
B014 B01E B01A 59.1(3) . . ?
B014 B01E H01E 121.8 . . ?
B015 B01E B010 60.5(4) . . ?
B015 B01E B016 108.3(4) . . ?
B015 B01E B01A 60.1(4) . . ?
B015 B01E H01E 121.6 . . ?
B016 B01E B01A 108.4(4) . . ?
B016 B01E H01E 121.3 . . ?
B01A B01E H01E 121.8 . . ?

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
N003 C006 C008 C00F 92.0(6) . . . . ?
N003 C006 C008 B00R 22.3(7) . . . . ?
N003 C006 C008 B00Y 161.5(5) . . . . ?
N003 C006 C008 B018 -124.6(6) . . . . ?
N003 C006 C008 B01C -49.0(7) . . . . ?
N003 C006 C00Q C00W 0.9(9) . . . . ?
N003 C00L C00M C00W -0.4(11) . . . . ?
N004 C009 C00G C00C 93.5(6) . . . . ?
N004 C009 C00G B00T 23.9(7) . . . . ?
N004 C009 C00G B00Z 162.8(5) . . . . ?
N004 C009 C00G B013 -47.7(7) . . . . ?
N004 C009 C00G B01B -122.7(5) . . . . ?
N004 C009 C00S C00X -0.1(9) . . . . ?
C005 C007 C00I S02 7.9(8) . . . . ?
C005 C007 C00I C11 -169.5(5) . . . . ?
C005 C00C C00G C009 1.0(7) . . . . ?
C005 C00C C00G B00T 106.8(5) . . . . ?
C005 C00C C00G B00Z -107.8(5) . . . . ?
C005 C00C C00G B013 145.4(4) . . . . ?
C005 C00C C00G B01B -146.6(4) . . . . ?
C005 C00C B00T C00G -108.7(5) . . . . ?
C005 C00C B00T B00V 113.5(5) . . . . ?
C005 C00C B00T B013 -144.6(4) . . . . ?
C005 C00C B00T B017 152.7(4) . . . . ?
C005 C00C B00V B00T -106.3(5) . . . . ?
C005 C00C B00V B017 -144.8(4) . . . . ?
C005 C00C B00V B019 112.5(5) . . . . ?
C005 C00C B00V B01D 152.1(4) . . . . ?
C005 C00C B00Z C00G 108.8(5) . . . . ?
C005 C00C B00Z B011 -152.9(4) . . . . ?
C005 C00C B00Z B019 -113.2(5) . . . . ?
C005 C00C B00Z B01B 144.0(4) . . . . ?
C005 C00C B019 B00V -112.5(5) . . . . ?
C005 C00C B019 B00Z 106.7(5) . . . . ?
C005 C00C B019 B011 146.1(5) . . . . ?
C005 C00C B019 B01D -151.2(5) . . . . ?
C006 N003 C00L C00M 2.4(11) . . . . ?
C006 C008 C00F C00D 0.1(7) . . . . ?
C006 C008 C00F B00R -105.5(5) . . . . ?
C006 C008 C00F B00Y 109.1(5) . . . . ?
C006 C008 C00F B014 -144.8(4) . . . . ?
C006 C008 C00F B016 147.4(4) . . . . ?
C006 C008 B00R C00F 109.9(4) . . . . ?
C006 C008 B00R B014 146.5(4) . . . . ?
C006 C008 B00R B01A -151.5(4) . . . . ?
C006 C008 B00R B01C -111.7(5) . . . . ?
C006 C008 B00Y C00F -108.0(5) . . . . ?
C006 C008 B00Y B010 152.1(4) . . . . ?
C006 C008 B00Y B016 -144.7(4) . . . . ?
C006 C008 B00Y B018 113.2(5) . . . . ?
C006 C008 B018 B00Y -108.9(5) . . . . ?
C006 C008 B018 B010 -147.1(5) . . . . ?
C006 C008 B018 B015 149.9(5) . . . . ?
C006 C008 B018 B01C 110.1(5) . . . . ?
C006 C008 B01C B00R 105.4(5) . . . . ?
C006 C008 B01C B015 -152.1(4) . . . . ?
C006 C008 B01C B018 -113.4(5) . . . . ?
C006 C008 B01C B01A 145.3(4) . . . . ?
C006 C00Q C00W C00M 1.1(10) . . . . ?
C007 C005 C00C C00G 102.7(6) . . . . ?
C007 C005 C00C B00T 171.5(5) . . . . ?
C007 C005 C00C B00V -115.9(6) . . . . ?
C007 C005 C00C B00Z 32.4(7) . . . . ?
C007 C005 C00C B019 -39.7(7) . . . . ?
C008 C006 C00Q C00W -177.9(5) . . . . ?
C008 C00F B00R B014 -137.3(4) . . . . ?
C008 C00F B00R B01A -98.4(4) . . . . ?
C008 C00F B00R B01C -35.9(3) . . . . ?
C008 C00F B00Y B010 99.0(4) . . . . ?
C008 C00F B00Y B016 138.5(4) . . . . ?
C008 C00F B00Y B018 35.4(3) . . . . ?
C008 C00F B014 B00R 38.5(4) . . . . ?
C008 C00F B014 B016 -103.4(4) . . . . ?
C008 C00F B014 B01A -0.8(5) . . . . ?
C008 C00F B014 B01E -64.8(5) . . . . ?
C008 C00F B016 B00Y -38.1(4) . . . . ?
C008 C00F B016 B010 1.1(5) . . . . ?
C008 C00F B016 B014 102.0(4) . . . . ?
C008 C00F B016 B01E 63.7(5) . . . . ?
C008 B00R B014 C00F -36.9(3) . . . . ?
C008 B00R B014 B016 -3.1(5) . . . . ?
C008 B00R B014 B01A 98.4(4) . . . . ?
C008 B00R B014 B01E 60.2(5) . . . . ?
C008 B00R B01A B014 -99.1(4) . . . . ?
C008 B00R B01A B015 0.7(5) . . . . ?
C008 B00R B01A B01C 38.9(4) . . . . ?
C008 B00R B01A B01E -62.0(5) . . . . ?
C008 B00R B01C B015 -96.6(4) . . . . ?
C008 B00R B01C B018 -34.0(4) . . . . ?
C008 B00R B01C B01A -134.4(4) . . . . ?
C008 B00Y B010 B015 -0.4(5) . . . . ?
C008 B00Y B010 B016 101.0(4) . . . . ?
C008 B00Y B010 B018 -37.6(4) . . . . ?
C008 B00Y B010 B01E 62.5(5) . . . . ?
C008 B00Y B016 C00F 36.6(3) . . . . ?
C008 B00Y B016 B010 -98.8(4) . . . . ?
C008 B00Y B016 B014 2.0(5) . . . . ?
C008 B00Y B016 B01E -60.2(5) . . . . ?
C008 B00Y B018 B010 136.1(4) . . . . ?
C008 B00Y B018 B015 98.6(4) . . . . ?
C008 B00Y B018 B01C 34.3(4) . . . . ?
C008 B018 B01C B00R 34.6(4) . . . . ?
C008 B018 B01C B015 135.2(4) . . . . ?
C008 B018 B01C B01A 97.9(4) . . . . ?
C009 N004 C00U C00J -0.3(11) . . . . ?
C009 C00G B00T C00C 109.8(4) . . . . ?
C009 C00G B00T B00V 146.3(4) . . . . ?
C009 C00G B00T B013 -111.4(5) . . . . ?
C009 C00G B00T B017 -150.4(4) . . . . ?
C009 C00G B00Z C00C -108.2(5) . . . . ?
C009 C00G B00Z B011 151.9(4) . . . . ?
C009 C00G B00Z B019 -145.0(4) . . . . ?
C009 C00G B00Z B01B 113.0(5) . . . . ?
C009 C00G B013 B00T 106.0(5) . . . . ?
C009 C00G B013 B012 -152.2(4) . . . . ?
C009 C00G B013 B017 145.0(4) . . . . ?
C009 C00G B013 B01B -112.9(5) . . . . ?
C009 C00G B01B B00Z -109.1(5) . . . . ?
C009 C00G B01B B011 -147.3(5) . . . . ?
C009 C00G B01B B012 149.6(5) . . . . ?
C009 C00G B01B B013 110.0(5) . . . . ?
C009 C00S C00X C00J 0.0(10) . . . . ?
C11 C00O C00P S02 0.0(7) . . . . ?
C00B C00D C00F C008 100.9(6) . . . . ?
C00B C00D C00F B00R 169.7(5) . . . . ?
C00B C00D C00F B00Y 30.0(8) . . . . ?
C00B C00D C00F B014 -118.5(6) . . . . ?
C00B C00D C00F B016 -42.4(8) . . . . ?
C00C C005 C007 C00I 174.3(5) . . . . ?
C00C C00G B00T B00V 36.4(3) . . . . ?
C00C C00G B00T B013 138.7(4) . . . . ?
C00C C00G B00T B017 99.8(4) . . . . ?
C00C C00G B00Z B011 -99.9(4) . . . . ?
C00C C00G B00Z B019 -36.8(3) . . . . ?
C00C C00G B00Z B01B -138.8(4) . . . . ?
C00C C00G B013 B00T -38.0(4) . . . . ?
C00C C00G B013 B012 63.8(5) . . . . ?
C00C C00G B013 B017 1.0(5) . . . . ?
C00C C00G B013 B01B 103.1(4) . . . . ?
C00C C00G B01B B00Z 37.4(4) . . . . ?
C00C C00G B01B B011 -0.8(5) . . . . ?
C00C C00G B01B B012 -63.9(5) . . . . ?
C00C C00G B01B B013 -103.5(4) . . . . ?
C00C B00T B00V B017 135.9(4) . . . . ?
C00C B00T B00V B019 34.1(4) . . . . ?
C00C B00T B00V B01D 98.0(4) . . . . ?
C00C B00T B013 C00G 36.2(4) . . . . ?
C00C B00T B013 B012 -60.6(5) . . . . ?
C00C B00T B013 B017 -99.4(4) . . . . ?
C00C B00T B013 B01B 2.2(5) . . . . ?
C00C B00T B017 B00V -38.0(4) . . . . ?
C00C B00T B017 B012 61.3(5) . . . . ?
C00C B00T B017 B013 100.0(4) . . . . ?
C00C B00T B017 B01D -0.8(5) . . . . ?
C00C B00V B017 B00T 38.6(4) . . . . ?
C00C B00V B017 B012 -62.4(5) . . . . ?
C00C B00V B017 B013 1.0(5) . . . . ?
C00C B00V B017 B01D -99.1(4) . . . . ?
C00C B00V B019 B00Z 34.7(4) . . . . ?
C00C B00V B019 B011 98.0(4) . . . . ?
C00C B00V B019 B01D 135.1(4) . . . . ?
C00C B00V B01D B011 -2.0(6) . . . . ?
C00C B00V B01D B012 62.1(5) . . . . ?
C00C B00V B01D B017 99.8(4) . . . . ?
C00C B00V B01D B019 -38.5(4) . . . . ?
C00C B00Z B011 B012 -61.7(5) . . . . ?
C00C B00Z B011 B019 39.0(4) . . . . ?
C00C B00Z B011 B01B -99.2(4) . . . . ?
C00C B00Z B011 B01D 0.5(5) . . . . ?
C00C B00Z B019 B00V -34.3(4) . . . . ?
C00C B00Z B019 B011 -135.1(4) . . . . ?
C00C B00Z B019 B01D -96.7(4) . . . . ?
C00C B00Z B01B C00G -36.0(4) . . . . ?
C00C B00Z B01B B011 99.8(4) . . . . ?
C00C B00Z B01B B012 61.9(5) . . . . ?
C00C B00Z B01B B013 -1.5(5) . . . . ?
C00C B019 B01D B00V 38.4(4) . . . . ?
C00C B019 B01D B011 -100.2(5) . . . . ?
C00C B019 B01D B012 -62.8(5) . . . . ?
C00C B019 B01D B017 0.8(6) . . . . ?
C00D C00B C00H S01 11.4(8) . . . . ?
C00D C00B C00H C12 -166.9(6) . . . . ?
C00D C00F B00R C008 -109.7(5) . . . . ?
C00D C00F B00R B014 113.0(5) . . . . ?
C00D C00F B00R B01A 151.9(4) . . . . ?
C00D C00F B00R B01C -145.6(4) . . . . ?
C00D C00F B00Y C008 108.9(5) . . . . ?
C00D C00F B00Y B010 -152.1(4) . . . . ?
C00D C00F B00Y B016 -112.6(5) . . . . ?
C00D C00F B00Y B018 144.3(4) . . . . ?
C00D C00F B014 B00R -105.4(5) . . . . ?
C00D C00F B014 B016 112.7(5) . . . . ?
C00D C00F B014 B01A -144.7(5) . . . . ?
C00D C00F B014 B01E 151.3(5) . . . . ?
C00D C00F B016 B00Y 108.1(5) . . . . ?
C00D C00F B016 B010 147.3(5) . . . . ?
C00D C00F B016 B014 -111.8(5) . . . . ?
C00D C00F B016 B01E -150.0(5) . . . . ?
C12 C10 C00N S01 -0.9(7) . . . . ?
C00F C008 B00R B014 36.7(3) . . . . ?
C00F C008 B00R B01A 98.6(4) . . . . ?
C00F C008 B00R B01C 138.4(4) . . . . ?
C00F C008 B00Y B010 -99.9(4) . . . . ?
C00F C008 B00Y B016 -36.8(3) . . . . ?
C00F C008 B00Y B018 -138.9(4) . . . . ?
C00F C008 B018 B00Y 37.3(4) . . . . ?
C00F C008 B018 B010 -1.0(5) . . . . ?
C00F C008 B018 B015 -64.0(5) . . . . ?
C00F C008 B018 B01C -103.8(4) . . . . ?
C00F C008 B01C B00R -38.5(4) . . . . ?
C00F C008 B01C B015 64.1(5) . . . . ?
C00F C008 B01C B018 102.8(4) . . . . ?
C00F C008 B01C B01A 1.5(5) . . . . ?
C00F B00R B014 B016 33.8(4) . . . . ?
C00F B00R B014 B01A 135.3(4) . . . . ?
C00F B00R B014 B01E 97.1(5) . . . . ?
C00F B00R B01A B014 -38.2(4) . . . . ?
C00F B00R B01A B015 61.6(5) . . . . ?
C00F B00R B01A B01C 99.8(4) . . . . ?
C00F B00R B01A B01E -1.0(5) . . . . ?
C00F B00R B01C C008 36.1(3) . . . . ?
C00F B00R B01C B015 -60.4(5) . . . . ?
C00F B00R B01C B018 2.2(5) . . . . ?
C00F B00R B01C B01A -98.3(4) . . . . ?
C00F B00Y B010 B015 -62.2(5) . . . . ?
C00F B00Y B010 B016 39.2(4) . . . . ?
C00F B00Y B010 B018 -99.4(4) . . . . ?
C00F B00Y B010 B01E 0.7(6) . . . . ?
C00F B00Y B016 B010 -135.3(4) . . . . ?
C00F B00Y B016 B014 -34.6(4) . . . . ?
C00F B00Y B016 B01E -96.8(4) . . . . ?
C00F B00Y B018 C008 -36.0(3) . . . . ?
C00F B00Y B018 B010 100.2(4) . . . . ?
C00F B00Y B018 B015 62.6(5) . . . . ?
C00F B00Y B018 B01C -1.7(5) . . . . ?
C00F B014 B016 B00Y 35.0(4) . . . . ?
C00F B014 B016 B010 98.0(4) . . . . ?
C00F B014 B016 B01E 135.8(4) . . . . ?
C00F B014 B01A B00R 39.3(4) . . . . ?
C00F B014 B01A B015 -62.5(5) . . . . ?
C00F B014 B01A B01C 1.7(5) . . . . ?
C00F B014 B01A B01E -98.9(4) . . . . ?
C00F B014 B01E B010 -0.4(6) . . . . ?
C00F B014 B01E B015 63.5(5) . . . . ?
C00F B014 B01E B016 -38.1(4) . . . . ?
C00F B014 B01E B01A 100.4(4) . . . . ?
C00F B016 B01E B010 -100.0(4) . . . . ?
C00F B016 B01E B014 37.6(4) . . . . ?
C00F B016 B01E B015 -62.9(5) . . . . ?
C00F B016 B01E B01A 0.8(6) . . . . ?
C00G C009 C00S C00X -177.9(5) . . . . ?
C00G C00C B00T B00V -137.8(4) . . . . ?
C00G C00C B00T B013 -35.9(3) . . . . ?
C00G C00C B00T B017 -98.6(4) . . . . ?
C00G C00C B00V B00T 38.1(4) . . . . ?
C00G C00C B00V B017 -0.3(5) . . . . ?
C00G C00C B00V B019 -103.1(4) . . . . ?
C00G C00C B00V B01D -63.5(5) . . . . ?
C00G C00C B00Z B011 98.3(4) . . . . ?
C00G C00C B00Z B019 138.0(4) . . . . ?
C00G C00C B00Z B01B 35.2(4) . . . . ?
C00G C00C B019 B00V 102.4(4) . . . . ?
C00G C00C B019 B00Z -38.5(4) . . . . ?
C00G C00C B019 B011 0.9(5) . . . . ?
C00G C00C B019 B01D 63.7(5) . . . . ?
C00G B00T B00V C00C -36.8(3) . . . . ?
C00G B00T B00V B017 99.1(4) . . . . ?
C00G B00T B00V B019 -2.8(5) . . . . ?
C00G B00T B00V B01D 61.2(5) . . . . ?
C00G B00T B013 B012 -96.8(4) . . . . ?
C00G B00T B013 B017 -135.6(4) . . . . ?
C00G B00T B013 B01B -34.0(4) . . . . ?
C00G B00T B017 B00V -99.8(4) . . . . ?
C00G B00T B017 B012 -0.4(5) . . . . ?
C00G B00T B017 B013 38.2(4) . . . . ?
C00G B00T B017 B01D -62.6(5) . . . . ?
C00G B00Z B011 B012 0.1(5) . . . . ?
C00G B00Z B011 B019 100.8(4) . . . . ?
C00G B00Z B011 B01B -37.4(4) . . . . ?
C00G B00Z B011 B01D 62.3(5) . . . . ?
C00G B00Z B019 C00C 36.9(3) . . . . ?
C00G B00Z B019 B00V 2.5(5) . . . . ?
C00G B00Z B019 B011 -98.2(4) . . . . ?
C00G B00Z B019 B01D -59.9(5) . . . . ?
C00G B00Z B01B B011 135.8(4) . . . . ?
C00G B00Z B01B B012 97.9(4) . . . . ?
C00G B00Z B01B B013 34.5(4) . . . . ?
C00G B013 B017 B00T -38.7(4) . . . . ?
C00G B013 B017 B00V -1.2(5) . . . . ?
C00G B013 B017 B012 97.9(4) . . . . ?
C00G B013 B017 B01D 61.2(5) . . . . ?
C00G B013 B01B B00Z -34.9(4) . . . . ?
C00G B013 B01B B011 -97.1(4) . . . . ?
C00G B013 B01B B012 -134.7(5) . . . . ?
C00H S01 C00N C10 0.6(5) . . . . ?
C00H C00B C00D C00F 173.3(5) . . . . ?
C00H C12 C10 C00N 0.7(7) . . . . ?
C00I S02 C00P C00O -0.2(5) . . . . ?
C00I C11 C00O C00P 0.3(7) . . . . ?
C10 C12 C00H S01 -0.3(5) . . . . ?
C10 C12 C00H C00B 178.1(5) . . . . ?
C00L N003 C006 C008 176.3(6) . . . . ?
C00L N003 C006 C00Q -2.6(10) . . . . ?
C00L C00M C00W C00Q -1.3(10) . . . . ?
C00N S01 C00H C00B -178.6(5) . . . . ?
C00N S01 C00H C12 -0.2(4) . . . . ?
C00O C11 C00I S02 -0.4(5) . . . . ?
C00O C11 C00I C007 177.2(5) . . . . ?
C00P S02 C00I C007 -177.3(5) . . . . ?
C00P S02 C00I C11 0.4(4) . . . . ?
C00Q C006 C008 C00F -89.1(6) . . . . ?
C00Q C006 C008 B00R -158.8(5) . . . . ?
C00Q C006 C008 B00Y -19.6(7) . . . . ?
C00Q C006 C008 B018 54.3(7) . . . . ?
C00Q C006 C008 B01C 129.8(6) . . . . ?
B00R C008 C00F C00D 105.5(5) . . . . ?
B00R C008 C00F B00Y -145.4(4) . . . . ?
B00R C008 C00F B014 -39.4(4) . . . . ?
B00R C008 C00F B016 -107.1(4) . . . . ?
B00R C008 B00Y C00F 32.5(4) . . . . ?
B00R C008 B00Y B010 -67.4(5) . . . . ?
B00R C008 B00Y B016 -4.2(5) . . . . ?
B00R C008 B00Y B018 -106.3(4) . . . . ?
B00R C008 B018 B00Y 103.7(4) . . . . ?
B00R C008 B018 B010 65.5(5) . . . . ?
B00R C008 B018 B015 2.5(6) . . . . ?
B00R C008 B018 B01C -37.3(4) . . . . ?
B00R C008 B01C B015 102.6(4) . . . . ?
B00R C008 B01C B018 141.3(4) . . . . ?
B00R C008 B01C B01A 40.0(4) . . . . ?
B00R C00F B00Y C008 -32.2(4) . . . . ?
B00R C00F B00Y B010 66.8(5) . . . . ?
B00R C00F B00Y B016 106.3(4) . . . . ?
B00R C00F B00Y B018 3.2(5) . . . . ?
B00R C00F B014 B016 -141.9(4) . . . . ?
B00R C00F B014 B01A -39.3(4) . . . . ?
B00R C00F B014 B01E -103.3(5) . . . . ?
B00R C00F B016 B00Y -103.4(4) . . . . ?
B00R C00F B016 B010 -64.2(5) . . . . ?
B00R C00F B016 B014 36.7(4) . . . . ?
B00R C00F B016 B01E -1.5(6) . . . . ?
B00R B014 B016 C00F -34.3(4) . . . . ?
B00R B014 B016 B00Y 0.7(5) . . . . ?
B00R B014 B016 B010 63.7(5) . . . . ?
B00R B014 B016 B01E 101.5(5) . . . . ?
B00R B014 B01A B015 -101.8(4) . . . . ?
B00R B014 B01A B01C -37.6(4) . . . . ?
B00R B014 B01A B01E -138.2(4) . . . . ?
B00R B014 B01E B010 -63.3(6) . . . . ?
B00R B014 B01E B015 0.6(6) . . . . ?
B00R B014 B01E B016 -100.9(5) . . . . ?
B00R B014 B01E B01A 37.5(4) . . . . ?
B00R B01A B01C C008 -39.8(4) . . . . ?
B00R B01A B01C B015 -137.8(4) . . . . ?
B00R B01A B01C B018 -100.8(4) . . . . ?
B00R B01A B01E B010 63.1(5) . . . . ?
B00R B01A B01E B014 -37.6(4) . . . . ?
B00R B01A B01E B015 101.1(4) . . . . ?
B00R B01A B01E B016 0.2(6) . . . . ?
C00S C009 C00G C00C -88.6(6) . . . . ?
C00S C009 C00G B00T -158.2(5) . . . . ?
C00S C009 C00G B00Z -19.3(7) . . . . ?
C00S C009 C00G B013 130.2(6) . . . . ?
C00S C009 C00G B01B 55.2(7) . . . . ?
B00T C00C C00G C009 -105.8(5) . . . . ?
B00T C00C C00G B00Z 145.4(4) . . . . ?
B00T C00C C00G B013 38.6(4) . . . . ?
B00T C00C C00G B01B 106.6(4) . . . . ?
B00T C00C B00V B017 -38.4(4) . . . . ?
B00T C00C B00V B019 -141.2(4) . . . . ?
B00T C00C B00V B01D -101.6(5) . . . . ?
B00T C00C B00Z C00G -32.1(4) . . . . ?
B00T C00C B00Z B011 66.2(5) . . . . ?
B00T C00C B00Z B019 105.9(4) . . . . ?
B00T C00C B00Z B01B 3.1(5) . . . . ?
B00T C00C B019 B00V 37.3(4) . . . . ?
B00T C00C B019 B00Z -103.6(4) . . . . ?
B00T C00C B019 B011 -64.2(5) . . . . ?
B00T C00C B019 B01D -1.4(6) . . . . ?
B00T C00G B00Z C00C 32.3(4) . . . . ?
B00T C00G B00Z B011 -67.6(5) . . . . ?
B00T C00G B00Z B019 -4.5(5) . . . . ?
B00T C00G B00Z B01B -106.5(4) . . . . ?
B00T C00G B013 B012 101.8(5) . . . . ?
B00T C00G B013 B017 39.0(4) . . . . ?
B00T C00G B013 B01B 141.1(4) . . . . ?
B00T C00G B01B B00Z 103.5(5) . . . . ?
B00T C00G B01B B011 65.3(5) . . . . ?
B00T C00G B01B B012 2.3(6) . . . . ?
B00T C00G B01B B013 -37.4(4) . . . . ?
B00T B00V B017 B012 -100.9(4) . . . . ?
B00T B00V B017 B013 -37.6(4) . . . . ?
B00T B00V B017 B01D -137.7(4) . . . . ?
B00T B00V B019 C00C -34.6(4) . . . . ?
B00T B00V B019 B00Z 0.1(5) . . . . ?
B00T B00V B019 B011 63.4(5) . . . . ?
B00T B00V B019 B01D 100.5(5) . . . . ?
B00T B00V B01D B011 -64.4(5) . . . . ?
B00T B00V B01D B012 -0.3(6) . . . . ?
B00T B00V B01D B017 37.3(4) . . . . ?
B00T B00V B01D B019 -100.9(4) . . . . ?
B00T B013 B017 B00V 37.5(4) . . . . ?
B00T B013 B017 B012 136.6(4) . . . . ?
B00T B013 B017 B01D 100.0(4) . . . . ?
B00T B013 B01B C00G 34.4(4) . . . . ?
B00T B013 B01B B00Z -0.5(5) . . . . ?
B00T B013 B01B B011 -62.7(5) . . . . ?
B00T B013 B01B B012 -100.3(5) . . . . ?
B00T B017 B01D B00V -37.5(4) . . . . ?
B00T B017 B01D B011 62.6(5) . . . . ?
B00T B017 B01D B012 100.5(4) . . . . ?
B00T B017 B01D B019 0.0(6) . . . . ?
C00U N004 C009 C00G 178.1(6) . . . . ?
C00U N004 C009 C00S 0.3(10) . . . . ?
C00U C00J C00X C00S 0.0(11) . . . . ?
B00V C00C C00G C009 -144.8(4) . . . . ?
B00V C00C C00G B00T -39.0(4) . . . . ?
B00V C00C C00G B00Z 106.4(4) . . . . ?
B00V C00C C00G B013 -0.4(5) . . . . ?
B00V C00C C00G B01B 67.6(5) . . . . ?
B00V C00C B00T C00G 137.8(4) . . . . ?
B00V C00C B00T B013 101.9(4) . . . . ?
B00V C00C B00T B017 39.2(4) . . . . ?
B00V C00C B00Z C00G -100.2(4) . . . . ?
B00V C00C B00Z B011 -1.9(6) . . . . ?
B00V C00C B00Z B019 37.8(4) . . . . ?
B00V C00C B00Z B01B -65.0(5) . . . . ?
B00V C00C B019 B00Z -140.9(4) . . . . ?
B00V C00C B019 B011 -101.5(5) . . . . ?
B00V C00C B019 B01D -38.7(4) . . . . ?
B00V B00T B013 C00G 97.6(4) . . . . ?
B00V B00T B013 B012 0.7(5) . . . . ?
B00V B00T B013 B017 -38.0(4) . . . . ?
B00V B00T B013 B01B 63.6(5) . . . . ?
B00V B00T B017 B012 99.3(5) . . . . ?
B00V B00T B017 B013 138.0(4) . . . . ?
B00V B00T B017 B01D 37.2(4) . . . . ?
B00V B017 B01D B011 100.1(4) . . . . ?
B00V B017 B01D B012 138.0(4) . . . . ?
B00V B017 B01D B019 37.5(4) . . . . ?
B00V B019 B01D B011 -138.6(4) . . . . ?
B00V B019 B01D B012 -101.2(5) . . . . ?
B00V B019 B01D B017 -37.5(4) . . . . ?
C00X C00J C00U N004 0.2(12) . . . . ?
B00Y C008 C00F C00D -109.1(5) . . . . ?
B00Y C008 C00F B00R 145.4(4) . . . . ?
B00Y C008 C00F B014 106.1(4) . . . . ?
B00Y C008 C00F B016 38.3(4) . . . . ?
B00Y C008 B00R C00F -32.1(4) . . . . ?
B00Y C008 B00R B014 4.6(5) . . . . ?
B00Y C008 B00R B01A 66.5(5) . . . . ?
B00Y C008 B00R B01C 106.3(4) . . . . ?
B00Y C008 B018 B010 -38.2(4) . . . . ?
B00Y C008 B018 B015 -101.3(4) . . . . ?
B00Y C008 B018 B01C -141.0(4) . . . . ?
B00Y C008 B01C B00R -103.7(4) . . . . ?
B00Y C008 B01C B015 -1.1(6) . . . . ?
B00Y C008 B01C B018 37.6(4) . . . . ?
B00Y C008 B01C B01A -63.7(5) . . . . ?
B00Y C00F B00R C008 32.5(4) . . . . ?
B00Y C00F B00R B014 -104.8(4) . . . . ?
B00Y C00F B00R B01A -65.9(5) . . . . ?
B00Y C00F B00R B01C -3.4(5) . . . . ?
B00Y C00F B014 B00R 104.2(4) . . . . ?
B00Y C00F B014 B016 -37.6(4) . . . . ?
B00Y C00F B014 B01A 64.9(5) . . . . ?
B00Y C00F B014 B01E 0.9(6) . . . . ?
B00Y C00F B016 B010 39.2(4) . . . . ?
B00Y C00F B016 B014 140.1(4) . . . . ?
B00Y C00F B016 B01E 101.9(5) . . . . ?
B00Y B010 B015 B018 -37.4(4) . . . . ?
B00Y B010 B015 B01A 62.1(5) . . . . ?
B00Y B010 B015 B01C -0.2(6) . . . . ?
B00Y B010 B015 B01E 100.2(5) . . . . ?
B00Y B010 B016 C00F -38.7(4) . . . . ?
B00Y B010 B016 B014 -99.4(4) . . . . ?
B00Y B010 B016 B01E -136.8(4) . . . . ?
B00Y B010 B018 C008 38.6(4) . . . . ?
B00Y B010 B018 B015 138.0(4) . . . . ?
B00Y B010 B018 B01C 100.1(4) . . . . ?
B00Y B010 B01E B014 -0.2(6) . . . . ?
B00Y B010 B01E B015 -100.5(5) . . . . ?
B00Y B010 B01E B016 38.3(4) . . . . ?
B00Y B010 B01E B01A -62.7(5) . . . . ?
B00Y B016 B01E B010 -38.4(4) . . . . ?
B00Y B016 B01E B014 99.2(4) . . . . ?
B00Y B016 B01E B015 -1.3(5) . . . . ?
B00Y B016 B01E B01A 62.4(5) . . . . ?
B00Y B018 B01C C008 -34.9(4) . . . . ?
B00Y B018 B01C B00R -0.3(5) . . . . ?
B00Y B018 B01C B015 100.4(5) . . . . ?
B00Y B018 B01C B01A 63.0(5) . . . . ?
B00Z C00C C00G C009 108.8(5) . . . . ?
B00Z C00C C00G B00T -145.4(4) . . . . ?
B00Z C00C C00G B013 -106.8(4) . . . . ?
B00Z C00C C00G B01B -38.8(4) . . . . ?
B00Z C00C B00T C00G 32.5(4) . . . . ?
B00Z C00C B00T B00V -105.3(4) . . . . ?
B00Z C00C B00T B013 -3.4(5) . . . . ?
B00Z C00C B00T B017 -66.1(5) . . . . ?
B00Z C00C B00V B00T 104.1(4) . . . . ?
B00Z C00C B00V B017 65.6(5) . . . . ?
B00Z C00C B00V B019 -37.1(4) . . . . ?
B00Z C00C B00V B01D 2.5(6) . . . . ?
B00Z C00C B019 B00V 140.9(4) . . . . ?
B00Z C00C B019 B011 39.4(4) . . . . ?
B00Z C00C B019 B01D 102.1(4) . . . . ?
B00Z C00G B00T C00C -31.9(4) . . . . ?
B00Z C00G B00T B00V 4.5(5) . . . . ?
B00Z C00G B00T B013 106.8(4) . . . . ?
B00Z C00G B00T B017 67.9(5) . . . . ?
B00Z C00G B013 B00T -103.1(5) . . . . ?
B00Z C00G B013 B012 -1.2(6) . . . . ?
B00Z C00G B013 B017 -64.1(5) . . . . ?
B00Z C00G B013 B01B 38.1(4) . . . . ?
B00Z C00G B01B B011 -38.2(4) . . . . ?
B00Z C00G B01B B012 -101.2(4) . . . . ?
B00Z C00G B01B B013 -140.9(4) . . . . ?
B00Z B011 B012 B013 -0.8(6) . . . . ?
B00Z B011 B012 B017 62.3(5) . . . . ?
B00Z B011 B012 B01B -38.2(4) . . . . ?
B00Z B011 B012 B01D 100.3(4) . . . . ?
B00Z B011 B019 C00C -39.1(4) . . . . ?
B00Z B011 B019 B00V -100.4(4) . . . . ?
B00Z B011 B019 B01D -137.1(4) . . . . ?
B00Z B011 B01B C00G 38.6(4) . . . . ?
B00Z B011 B01B B012 137.6(4) . . . . ?
B00Z B011 B01B B013 100.2(4) . . . . ?
B00Z B011 B01D B00V 1.0(6) . . . . ?
B00Z B011 B01D B012 -100.5(5) . . . . ?
B00Z B011 B01D B017 -62.8(5) . . . . ?
B00Z B011 B01D B019 38.1(4) . . . . ?
B00Z B019 B01D B00V 100.3(4) . . . . ?
B00Z B019 B01D B011 -38.2(4) . . . . ?
B00Z B019 B01D B012 -0.9(5) . . . . ?
B00Z B019 B01D B017 62.8(5) . . . . ?
B010 B00Y B016 C00F 135.3(4) . . . . ?
B010 B00Y B016 B014 100.8(4) . . . . ?
B010 B00Y B016 B01E 38.5(4) . . . . ?
B010 B00Y B018 C008 -136.1(4) . . . . ?
B010 B00Y B018 B015 -37.5(4) . . . . ?
B010 B00Y B018 B01C -101.9(4) . . . . ?
B010 B015 B018 C008 99.8(4) . . . . ?
B010 B015 B018 B00Y 37.0(4) . . . . ?
B010 B015 B018 B01C 138.3(4) . . . . ?
B010 B015 B01A B00R -62.8(5) . . . . ?
B010 B015 B01A B014 1.1(5) . . . . ?
B010 B015 B01A B01C -100.6(4) . . . . ?
B010 B015 B01A B01E 37.7(4) . . . . ?
B010 B015 B01C C008 0.8(5) . . . . ?
B010 B015 B01C B00R 63.1(5) . . . . ?
B010 B015 B01C B018 -37.4(4) . . . . ?
B010 B015 B01C B01A 100.8(5) . . . . ?
B010 B015 B01E B014 -101.3(5) . . . . ?
B010 B015 B01E B016 -36.7(4) . . . . ?
B010 B015 B01E B01A -137.8(4) . . . . ?
B010 B016 B01E B014 137.6(4) . . . . ?
B010 B016 B01E B015 37.1(4) . . . . ?
B010 B016 B01E B01A 100.8(5) . . . . ?
B010 B018 B01C C008 -97.6(4) . . . . ?
B010 B018 B01C B00R -63.0(5) . . . . ?
B010 B018 B01C B015 37.7(4) . . . . ?
B010 B018 B01C B01A 0.3(5) . . . . ?
B011 B00Z B019 C00C 135.1(4) . . . . ?
B011 B00Z B019 B00V 100.8(4) . . . . ?
B011 B00Z B019 B01D 38.4(4) . . . . ?
B011 B00Z B01B C00G -135.8(4) . . . . ?
B011 B00Z B01B B012 -37.9(4) . . . . ?
B011 B00Z B01B B013 -101.3(4) . . . . ?
B011 B012 B013 C00G 1.2(6) . . . . ?
B011 B012 B013 B00T 63.0(5) . . . . ?
B011 B012 B013 B017 101.5(5) . . . . ?
B011 B012 B013 B01B -37.3(4) . . . . ?
B011 B012 B017 B00T -62.0(5) . . . . ?
B011 B012 B017 B00V 1.0(5) . . . . ?
B011 B012 B017 B013 -100.6(5) . . . . ?
B011 B012 B017 B01D 37.8(4) . . . . ?
B011 B012 B01B C00G 99.4(4) . . . . ?
B011 B012 B01B B00Z 37.1(4) . . . . ?
B011 B012 B01B B013 138.4(4) . . . . ?
B011 B012 B01D B00V -100.4(5) . . . . ?
B011 B012 B01D B017 -138.1(4) . . . . ?
B011 B012 B01D B019 -36.6(4) . . . . ?
B011 B019 B01D B00V 138.6(4) . . . . ?
B011 B019 B01D B012 37.4(4) . . . . ?
B011 B019 B01D B017 101.0(5) . . . . ?
B012 B011 B019 C00C 61.3(5) . . . . ?
B012 B011 B019 B00V 0.0(5) . . . . ?
B012 B011 B019 B00Z 100.4(5) . . . . ?
B012 B011 B019 B01D -36.6(4) . . . . ?
B012 B011 B01B C00G -99.0(4) . . . . ?
B012 B011 B01B B00Z -137.6(4) . . . . ?
B012 B011 B01B B013 -37.4(4) . . . . ?
B012 B011 B01D B00V 101.4(5) . . . . ?
B012 B011 B01D B017 37.6(4) . . . . ?
B012 B011 B01D B019 138.5(4) . . . . ?
B012 B013 B017 B00T -136.6(4) . . . . ?
B012 B013 B017 B00V -99.1(4) . . . . ?
B012 B013 B017 B01D -36.6(4) . . . . ?
B012 B013 B01B C00G 134.7(5) . . . . ?
B012 B013 B01B B00Z 99.8(5) . . . . ?
B012 B013 B01B B011 37.6(4) . . . . ?
B012 B017 B01D B00V -138.0(4) . . . . ?
B012 B017 B01D B011 -37.9(4) . . . . ?
B012 B017 B01D B019 -100.5(5) . . . . ?
B013 C00G B00T C00C -138.7(4) . . . . ?
B013 C00G B00T B00V -102.3(4) . . . . ?
B013 C00G B00T B017 -38.9(4) . . . . ?
B013 C00G B00Z C00C 100.7(4) . . . . ?
B013 C00G B00Z B011 0.8(6) . . . . ?
B013 C00G B00Z B019 63.9(5) . . . . ?
B013 C00G B00Z B01B -38.1(4) . . . . ?
B013 C00G B01B B00Z 140.9(4) . . . . ?
B013 C00G B01B B011 102.7(4) . . . . ?
B013 C00G B01B B012 39.7(4) . . . . ?
B013 B00T B00V C00C -98.3(4) . . . . ?
B013 B00T B00V B017 37.7(4) . . . . ?
B013 B00T B00V B019 -64.2(5) . . . . ?
B013 B00T B00V B01D -0.3(5) . . . . ?
B013 B00T B017 B00V -138.0(4) . . . . ?
B013 B00T B017 B012 -38.7(4) . . . . ?
B013 B00T B017 B01D -100.8(5) . . . . ?
B013 B012 B017 B00T 38.7(4) . . . . ?
B013 B012 B017 B00V 101.7(4) . . . . ?
B013 B012 B017 B01D 138.5(4) . . . . ?
B013 B012 B01B C00G -39.0(4) . . . . ?
B013 B012 B01B B00Z -101.3(4) . . . . ?
B013 B012 B01B B011 -138.4(4) . . . . ?
B013 B012 B01D B00V 0.8(6) . . . . ?
B013 B012 B01D B011 101.2(4) . . . . ?
B013 B012 B01D B017 -37.0(4) . . . . ?
B013 B012 B01D B019 64.5(5) . . . . ?
B013 B017 B01D B00V -100.9(4) . . . . ?
B013 B017 B01D B011 -0.8(5) . . . . ?
B013 B017 B01D B012 37.1(4) . . . . ?
B013 B017 B01D B019 -63.3(5) . . . . ?
B014 C00F B00R C008 137.3(4) . . . . ?
B014 C00F B00R B01A 38.9(4) . . . . ?
B014 C00F B00R B01C 101.4(4) . . . . ?
B014 C00F B00Y C008 -100.0(4) . . . . ?
B014 C00F B00Y B010 -1.0(6) . . . . ?
B014 C00F B00Y B016 38.5(4) . . . . ?
B014 C00F B00Y B018 -64.6(5) . . . . ?
B014 C00F B016 B00Y -140.1(4) . . . . ?
B014 C00F B016 B010 -100.9(5) . . . . ?
B014 C00F B016 B01E -38.2(4) . . . . ?
B014 B00R B01A B015 99.8(5) . . . . ?
B014 B00R B01A B01C 138.0(4) . . . . ?
B014 B00R B01A B01E 37.2(4) . . . . ?
B014 B00R B01C C008 97.1(4) . . . . ?
B014 B00R B01C B015 0.5(5) . . . . ?
B014 B00R B01C B018 63.1(5) . . . . ?
B014 B00R B01C B01A -37.3(4) . . . . ?
B014 B016 B01E B010 -137.6(4) . . . . ?
B014 B016 B01E B015 -100.5(5) . . . . ?
B014 B016 B01E B01A -36.9(4) . . . . ?
B014 B01A B01C C008 -2.0(5) . . . . ?
B014 B01A B01C B00R 37.8(4) . . . . ?
B014 B01A B01C B015 -100.0(5) . . . . ?
B014 B01A B01C B018 -63.0(5) . . . . ?
B014 B01A B01E B010 100.7(5) . . . . ?
B014 B01A B01E B015 138.7(4) . . . . ?
B014 B01A B01E B016 37.7(4) . . . . ?
B015 B010 B016 C00F 61.2(5) . . . . ?
B015 B010 B016 B00Y 100.0(5) . . . . ?
B015 B010 B016 B014 0.5(5) . . . . ?
B015 B010 B016 B01E -36.8(4) . . . . ?
B015 B010 B018 C008 -99.4(4) . . . . ?
B015 B010 B018 B00Y -138.0(4) . . . . ?
B015 B010 B018 B01C -37.9(4) . . . . ?
B015 B010 B01E B014 100.4(5) . . . . ?
B015 B010 B01E B016 138.8(4) . . . . ?
B015 B010 B01E B01A 37.8(4) . . . . ?
B015 B018 B01C C008 -135.2(4) . . . . ?
B015 B018 B01C B00R -100.7(4) . . . . ?
B015 B018 B01C B01A -37.4(4) . . . . ?
B015 B01A B01C C008 98.0(4) . . . . ?
B015 B01A B01C B00R 137.8(4) . . . . ?
B015 B01A B01C B018 37.0(4) . . . . ?
B015 B01A B01E B010 -38.0(4) . . . . ?
B015 B01A B01E B014 -138.7(4) . . . . ?
B015 B01A B01E B016 -100.9(5) . . . . ?
B016 C00F B00R C008 100.0(4) . . . . ?
B016 C00F B00R B014 -37.3(4) . . . . ?
B016 C00F B00R B01A 1.6(6) . . . . ?
B016 C00F B00R B01C 64.1(5) . . . . ?
B016 C00F B00Y C008 -138.5(4) . . . . ?
B016 C00F B00Y B010 -39.5(4) . . . . ?
B016 C00F B00Y B018 -103.1(4) . . . . ?
B016 C00F B014 B00R 141.9(4) . . . . ?
B016 C00F B014 B01A 102.6(4) . . . . ?
B016 C00F B014 B01E 38.6(4) . . . . ?
B016 B00Y B010 B015 -101.4(5) . . . . ?
B016 B00Y B010 B018 -138.6(4) . . . . ?
B016 B00Y B010 B01E -38.5(4) . . . . ?
B016 B00Y B018 C008 -98.7(4) . . . . ?
B016 B00Y B018 B010 37.4(4) . . . . ?
B016 B00Y B018 B015 -0.1(5) . . . . ?
B016 B00Y B018 B01C -64.4(5) . . . . ?
B016 B010 B015 B018 -100.6(4) . . . . ?
B016 B010 B015 B01A -1.0(5) . . . . ?
B016 B010 B015 B01C -63.4(5) . . . . ?
B016 B010 B015 B01E 37.1(4) . . . . ?
B016 B010 B018 C008 1.6(5) . . . . ?
B016 B010 B018 B00Y -37.0(4) . . . . ?
B016 B010 B018 B015 101.1(5) . . . . ?
B016 B010 B018 B01C 63.1(5) . . . . ?
B016 B010 B01E B014 -38.4(4) . . . . ?
B016 B010 B01E B015 -138.8(4) . . . . ?
B016 B010 B01E B01A -101.0(5) . . . . ?
B016 B014 B01A B00R 101.0(4) . . . . ?
B016 B014 B01A B015 -0.7(5) . . . . ?
B016 B014 B01A B01C 63.5(5) . . . . ?
B016 B014 B01A B01E -37.2(4) . . . . ?
B016 B014 B01E B010 37.7(4) . . . . ?
B016 B014 B01E B015 101.6(5) . . . . ?
B016 B014 B01E B01A 138.5(4) . . . . ?
B017 B00T B00V C00C -135.9(4) . . . . ?
B017 B00T B00V B019 -101.8(4) . . . . ?
B017 B00T B00V B01D -37.9(4) . . . . ?
B017 B00T B013 C00G 135.6(4) . . . . ?
B017 B00T B013 B012 38.8(4) . . . . ?
B017 B00T B013 B01B 101.6(4) . . . . ?
B017 B00V B019 C00C -97.4(4) . . . . ?
B017 B00V B019 B00Z -62.7(5) . . . . ?
B017 B00V B019 B011 0.6(5) . . . . ?
B017 B00V B019 B01D 37.8(4) . . . . ?
B017 B00V B01D B011 -101.8(5) . . . . ?
B017 B00V B01D B012 -37.7(4) . . . . ?
B017 B00V B01D B019 -138.3(4) . . . . ?
B017 B012 B013 C00G -100.3(4) . . . . ?
B017 B012 B013 B00T -38.5(4) . . . . ?
B017 B012 B013 B01B -138.9(4) . . . . ?
B017 B012 B01B C00G -2.4(6) . . . . ?
B017 B012 B01B B00Z -64.7(5) . . . . ?
B017 B012 B01B B011 -101.9(5) . . . . ?
B017 B012 B01B B013 36.6(4) . . . . ?
B017 B012 B01D B00V 37.7(4) . . . . ?
B017 B012 B01D B011 138.1(4) . . . . ?
B017 B012 B01D B019 101.5(4) . . . . ?
B017 B013 B01B C00G 97.7(4) . . . . ?
B017 B013 B01B B00Z 62.8(5) . . . . ?
B017 B013 B01B B011 0.5(5) . . . . ?
B017 B013 B01B B012 -37.1(4) . . . . ?
B018 C008 C00F C00D -147.4(4) . . . . ?
B018 C008 C00F B00R 107.1(4) . . . . ?
B018 C008 C00F B00Y -38.3(4) . . . . ?
B018 C008 C00F B014 67.7(5) . . . . ?
B018 C008 C00F B016 -0.1(5) . . . . ?
B018 C008 B00R C00F -100.6(4) . . . . ?
B018 C008 B00R B014 -63.9(5) . . . . ?
B018 C008 B00R B01A -2.0(5) . . . . ?
B018 C008 B00R B01C 37.8(4) . . . . ?
B018 C008 B00Y C00F 138.9(4) . . . . ?
B018 C008 B00Y B010 39.0(4) . . . . ?
B018 C008 B00Y B016 102.1(4) . . . . ?
B018 C008 B01C B00R -141.3(4) . . . . ?
B018 C008 B01C B015 -38.7(4) . . . . ?
B018 C008 B01C B01A -101.3(4) . . . . ?
B018 B00Y B010 B015 37.2(4) . . . . ?
B018 B00Y B010 B016 138.6(4) . . . . ?
B018 B00Y B010 B01E 100.1(5) . . . . ?
B018 B00Y B016 C00F 97.7(4) . . . . ?
B018 B00Y B016 B010 -37.7(4) . . . . ?
B018 B00Y B016 B014 63.1(5) . . . . ?
B018 B00Y B016 B01E 0.9(5) . . . . ?
B018 B010 B015 B01A 99.6(4) . . . . ?
B018 B010 B015 B01C 37.2(4) . . . . ?
B018 B010 B015 B01E 137.6(4) . . . . ?
B018 B010 B016 C00F -1.7(6) . . . . ?
B018 B010 B016 B00Y 37.1(4) . . . . ?
B018 B010 B016 B014 -62.4(5) . . . . ?
B018 B010 B016 B01E -99.7(5) . . . . ?
B018 B010 B01E B014 63.0(5) . . . . ?
B018 B010 B01E B015 -37.4(4) . . . . ?
B018 B010 B01E B016 101.5(4) . . . . ?
B018 B010 B01E B01A 0.4(6) . . . . ?
B018 B015 B01A B00R 0.8(6) . . . . ?
B018 B015 B01A B014 64.6(5) . . . . ?
B018 B015 B01A B01C -37.1(4) . . . . ?
B018 B015 B01A B01E 101.2(5) . . . . ?
B018 B015 B01C C008 38.2(4) . . . . ?
B018 B015 B01C B00R 100.5(4) . . . . ?
B018 B015 B01C B01A 138.2(4) . . . . ?
B018 B015 B01E B010 37.9(4) . . . . ?
B018 B015 B01E B014 -63.4(5) . . . . ?
B018 B015 B01E B016 1.2(6) . . . . ?
B018 B015 B01E B01A -99.9(4) . . . . ?
B019 C00C C00G C009 147.5(5) . . . . ?
B019 C00C C00G B00T -106.7(4) . . . . ?
B019 C00C C00G B00Z 38.7(4) . . . . ?
B019 C00C C00G B013 -68.1(5) . . . . ?
B019 C00C C00G B01B -0.1(5) . . . . ?
B019 C00C B00T C00G 100.1(4) . . . . ?
B019 C00C B00T B00V -37.7(4) . . . . ?
B019 C00C B00T B013 64.2(5) . . . . ?
B019 C00C B00T B017 1.5(6) . . . . ?
B019 C00C B00V B00T 141.2(4) . . . . ?
B019 C00C B00V B017 102.7(4) . . . . ?
B019 C00C B00V B01D 39.6(4) . . . . ?
B019 C00C B00Z C00G -138.0(4) . . . . ?
B019 C00C B00Z B011 -39.7(4) . . . . ?
B019 C00C B00Z B01B -102.8(4) . . . . ?
B019 B00V B017 B00T 100.0(4) . . . . ?
B019 B00V B017 B012 -1.0(5) . . . . ?
B019 B00V B017 B013 62.3(5) . . . . ?
B019 B00V B017 B01D -37.8(4) . . . . ?
B019 B00V B01D B011 36.5(4) . . . . ?
B019 B00V B01D B012 100.6(5) . . . . ?
B019 B00V B01D B017 138.3(4) . . . . ?
B019 B00Z B011 B012 -100.8(5) . . . . ?
B019 B00Z B011 B01B -138.3(4) . . . . ?
B019 B00Z B011 B01D -38.6(4) . . . . ?
B019 B00Z B01B C00G -98.1(4) . . . . ?
B019 B00Z B01B B011 37.7(4) . . . . ?
B019 B00Z B01B B012 -0.2(5) . . . . ?
B019 B00Z B01B B013 -63.6(5) . . . . ?
B019 B011 B012 B013 -63.7(5) . . . . ?
B019 B011 B012 B017 -0.6(6) . . . . ?
B019 B011 B012 B01B -101.1(4) . . . . ?
B019 B011 B012 B01D 37.4(4) . . . . ?
B019 B011 B01B C00G 1.4(5) . . . . ?
B019 B011 B01B B00Z -37.2(4) . . . . ?
B019 B011 B01B B012 100.4(5) . . . . ?
B019 B011 B01B B013 63.0(5) . . . . ?
B019 B011 B01D B00V -37.1(4) . . . . ?
B019 B011 B01D B012 -138.5(4) . . . . ?
B019 B011 B01D B017 -100.9(4) . . . . ?
B01A B00R B014 C00F -135.3(4) . . . . ?
B01A B00R B014 B016 -101.5(4) . . . . ?
B01A B00R B014 B01E -38.2(4) . . . . ?
B01A B00R B01C C008 134.4(4) . . . . ?
B01A B00R B01C B015 37.8(4) . . . . ?
B01A B00R B01C B018 100.4(4) . . . . ?
B01A B014 B016 C00F -97.9(4) . . . . ?
B01A B014 B016 B00Y -62.9(5) . . . . ?
B01A B014 B016 B010 0.1(5) . . . . ?
B01A B014 B016 B01E 37.9(4) . . . . ?
B01A B014 B01E B010 -100.8(5) . . . . ?
B01A B014 B01E B015 -36.9(4) . . . . ?
B01A B014 B01E B016 -138.5(4) . . . . ?
B01A B015 B018 C008 -1.9(6) . . . . ?
B01A B015 B018 B00Y -64.7(5) . . . . ?
B01A B015 B018 B010 -101.7(5) . . . . ?
B01A B015 B018 B01C 36.7(4) . . . . ?
B01A B015 B01C C008 -100.0(4) . . . . ?
B01A B015 B01C B00R -37.7(4) . . . . ?
B01A B015 B01C B018 -138.2(4) . . . . ?
B01A B015 B01E B010 137.8(4) . . . . ?
B01A B015 B01E B014 36.5(4) . . . . ?
B01A B015 B01E B016 101.2(4) . . . . ?
B01B C00G B00T C00C -101.0(4) . . . . ?
B01B C00G B00T B00V -64.6(5) . . . . ?
B01B C00G B00T B013 37.8(4) . . . . ?
B01B C00G B00T B017 -1.2(6) . . . . ?
B01B C00G B00Z C00C 138.8(4) . . . . ?
B01B C00G B00Z B011 38.9(4) . . . . ?
B01B C00G B00Z B019 102.0(4) . . . . ?
B01B C00G B013 B00T -141.1(4) . . . . ?
B01B C00G B013 B012 -39.3(4) . . . . ?
B01B C00G B013 B017 -102.1(4) . . . . ?
B01B B00Z B011 B012 37.5(4) . . . . ?
B01B B00Z B011 B019 138.3(4) . . . . ?
B01B B00Z B011 B01D 99.7(5) . . . . ?
B01B B00Z B019 C00C 97.4(4) . . . . ?
B01B B00Z B019 B00V 63.1(5) . . . . ?
B01B B00Z B019 B011 -37.7(4) . . . . ?
B01B B00Z B019 B01D 0.7(5) . . . . ?
B01B B011 B012 B013 37.4(4) . . . . ?
B01B B011 B012 B017 100.4(4) . . . . ?
B01B B011 B012 B01D 138.4(4) . . . . ?
B01B B011 B019 C00C -1.4(6) . . . . ?
B01B B011 B019 B00V -62.7(5) . . . . ?
B01B B011 B019 B00Z 37.7(4) . . . . ?
B01B B011 B019 B01D -99.3(5) . . . . ?
B01B B011 B01D B00V 64.9(5) . . . . ?
B01B B011 B01D B012 -36.6(4) . . . . ?
B01B B011 B01D B017 1.1(5) . . . . ?
B01B B011 B01D B019 102.0(4) . . . . ?
B01B B012 B013 C00G 38.6(4) . . . . ?
B01B B012 B013 B00T 100.4(4) . . . . ?
B01B B012 B013 B017 138.9(4) . . . . ?
B01B B012 B017 B00T 1.8(6) . . . . ?
B01B B012 B017 B00V 64.8(5) . . . . ?
B01B B012 B017 B013 -36.9(4) . . . . ?
B01B B012 B017 B01D 101.6(5) . . . . ?
B01B B012 B01D B00V -63.0(5) . . . . ?
B01B B012 B01D B011 37.4(4) . . . . ?
B01B B012 B01D B017 -100.8(4) . . . . ?
B01B B012 B01D B019 0.7(6) . . . . ?
B01B B013 B017 B00T -99.8(4) . . . . ?
B01B B013 B017 B00V -62.3(5) . . . . ?
B01B B013 B017 B012 36.8(4) . . . . ?
B01B B013 B017 B01D 0.2(5) . . . . ?
B01C C008 C00F C00D 144.4(5) . . . . ?
B01C C008 C00F B00R 38.9(4) . . . . ?
B01C C008 C00F B00Y -106.5(4) . . . . ?
B01C C008 C00F B014 -0.5(5) . . . . ?
B01C C008 C00F B016 -68.2(5) . . . . ?
B01C C008 B00R C00F -138.4(4) . . . . ?
B01C C008 B00R B014 -101.7(4) . . . . ?
B01C C008 B00R B01A -39.8(4) . . . . ?
B01C C008 B00Y C00F 100.9(4) . . . . ?
B01C C008 B00Y B010 1.0(6) . . . . ?
B01C C008 B00Y B016 64.1(5) . . . . ?
B01C C008 B00Y B018 -38.0(4) . . . . ?
B01C C008 B018 B00Y 141.0(4) . . . . ?
B01C C008 B018 B010 102.8(4) . . . . ?
B01C C008 B018 B015 39.8(4) . . . . ?
B01C B00R B014 C00F -97.8(4) . . . . ?
B01C B00R B014 B016 -64.0(5) . . . . ?
B01C B00R B014 B01A 37.5(4) . . . . ?
B01C B00R B014 B01E -0.7(6) . . . . ?
B01C B00R B01A B014 -138.0(4) . . . . ?
B01C B00R B01A B015 -38.2(4) . . . . ?
B01C B00R B01A B01E -100.8(5) . . . . ?
B01C B015 B018 C008 -38.6(4) . . . . ?
B01C B015 B018 B00Y -101.3(4) . . . . ?
B01C B015 B018 B010 -138.3(4) . . . . ?
B01C B015 B01A B00R 37.8(4) . . . . ?
B01C B015 B01A B014 101.7(4) . . . . ?
B01C B015 B01A B01E 138.3(4) . . . . ?
B01C B015 B01E B010 101.0(4) . . . . ?
B01C B015 B01E B014 -0.3(6) . . . . ?
B01C B015 B01E B016 64.4(5) . . . . ?
B01C B015 B01E B01A -36.8(4) . . . . ?
B01C B01A B01E B010 -0.3(6) . . . . ?
B01C B01A B01E B014 -101.0(4) . . . . ?
B01C B01A B01E B015 37.7(4) . . . . ?
B01C B01A B01E B016 -63.2(5) . . . . ?
B01D B00V B017 B00T 137.7(4) . . . . ?
B01D B00V B017 B012 36.8(4) . . . . ?
B01D B00V B017 B013 100.1(5) . . . . ?
B01D B00V B019 C00C -135.1(4) . . . . ?
B01D B00V B019 B00Z -100.4(5) . . . . ?
B01D B00V B019 B011 -37.1(4) . . . . ?
B01D B011 B012 B013 -101.1(5) . . . . ?
B01D B011 B012 B017 -38.0(4) . . . . ?
B01D B011 B012 B01B -138.4(4) . . . . ?
B01D B011 B019 C00C 97.9(4) . . . . ?
B01D B011 B019 B00V 36.6(4) . . . . ?
B01D B011 B019 B00Z 137.1(4) . . . . ?
B01D B011 B01B C00G -62.6(5) . . . . ?
B01D B011 B01B B00Z -101.2(4) . . . . ?
B01D B011 B01B B012 36.4(4) . . . . ?
B01D B011 B01B B013 -1.0(5) . . . . ?
B01D B012 B013 C00G -62.7(5) . . . . ?
B01D B012 B013 B00T -0.9(5) . . . . ?
B01D B012 B013 B017 37.6(4) . . . . ?
B01D B012 B013 B01B -101.3(5) . . . . ?
B01D B012 B017 B00T -99.8(5) . . . . ?
B01D B012 B017 B00V -36.8(4) . . . . ?
B01D B012 B017 B013 -138.5(4) . . . . ?
B01D B012 B01B C00G 62.0(5) . . . . ?
B01D B012 B01B B00Z -0.3(5) . . . . ?
B01D B012 B01B B011 -37.4(4) . . . . ?
B01D B012 B01B B013 101.0(5) . . . . ?
B01E B010 B015 B018 -137.6(4) . . . . ?
B01E B010 B015 B01A -38.1(4) . . . . ?
B01E B010 B015 B01C -100.4(5) . . . . ?
B01E B010 B016 C00F 98.1(4) . . . . ?
B01E B010 B016 B00Y 136.8(4) . . . . ?
B01E B010 B016 B014 37.4(4) . . . . ?
B01E B010 B018 C008 -61.9(5) . . . . ?
B01E B010 B018 B00Y -100.5(5) . . . . ?
B01E B010 B018 B015 37.5(4) . . . . ?
B01E B010 B018 B01C -0.4(5) . . . . ?
B01E B014 B016 C00F -135.8(4) . . . . ?
B01E B014 B016 B00Y -100.8(5) . . . . ?
B01E B014 B016 B010 -37.8(4) . . . . ?
B01E B014 B01A B00R 138.2(4) . . . . ?
B01E B014 B01A B015 36.4(4) . . . . ?
B01E B014 B01A B01C 100.6(5) . . . . ?
B01E B015 B018 C008 62.1(5) . . . . ?
B01E B015 B018 B00Y -0.7(5) . . . . ?
B01E B015 B018 B010 -37.7(4) . . . . ?
B01E B015 B018 B01C 100.6(5) . . . . ?
B01E B015 B01A B00R -100.4(5) . . . . ?
B01E B015 B01A B014 -36.6(4) . . . . ?
B01E B015 B01A B01C -138.3(4) . . . . ?
B01E B015 B01C C008 -62.4(5) . . . . ?
B01E B015 B01C B00R -0.1(5) . . . . ?
B01E B015 B01C B018 -100.6(5) . . . . ?
B01E B015 B01C B01A 37.6(4) . . . . ?
B01E B01A B01C C008 61.0(5) . . . . ?
B01E B01A B01C B00R 100.8(5) . . . . ?
B01E B01A B01C B015 -37.0(4) . . . . ?
B01E B01A B01C B018 0.0(5) . . . . ?

_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_kj
_database_code_depnum_ccdc_archive 'CCDC 2496936'
loop_
_audit_author_name
_audit_author_address
'Ju-You Lu'
;Hainan University
China
;
_audit_update_record             
;
2025-10-21 deposited with the CCDC.	2026-02-04 downloaded from the CCDC.
;
_audit_creation_date             2024-08-23
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 H28 B10 N2 O'
_chemical_formula_sum            'C16 H28 B10 N2 O'
_chemical_formula_weight         372.50
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   11.9890(4)
_cell_length_b                   22.5139(9)
_cell_length_c                   8.2685(3)
_cell_angle_alpha                90
_cell_angle_beta                 105.1940(10)
_cell_angle_gamma                90
_cell_volume                     2153.81(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5062
_cell_measurement_temperature    173
_cell_measurement_theta_max      26.196
_cell_measurement_theta_min      2.525
_shelx_estimated_absorpt_T_max   0.997
_shelx_estimated_absorpt_T_min   0.990
_exptl_absorpt_coefficient_mu    0.063
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5760
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1309 before and 0.0628 after correction.
The Ratio of minimum to maximum transmission is 0.7727.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.149
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             784
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0740
_diffrn_reflns_av_unetI/netI     0.0566
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            22482
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.374
_diffrn_reflns_theta_min         1.979
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3117
_reflns_number_total             4388
_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 V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.218
_refine_diff_density_min         -0.214
_refine_diff_density_rms         0.041
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     266
_refine_ls_number_reflns         4388
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0825
_refine_ls_R_factor_gt           0.0515
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0564P)²+0.6895P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1187
_refine_ls_wR_factor_ref         0.1385
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C2(H2)
2.b Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C7(H7A,H7B), C6(H6A,H6B), C4(H4A,H4B), C5(H5A,H5B)
2.c Aromatic/amide H refined with riding coordinates:
 C10(H10), C11(H11), C19(H19), C16(H16), C17(H17), C18(H18)
2.d Boron cage BH refined with riding coordinates:
 B1(H1A), B2(H2A), B4(H4), B5(H5), B6(H6), B3(H3), B7(H7), B9(H9), B8(H8),
 B10(H10A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_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
O9 O 0.50881(11) 0.30720(5) 0.53103(16) 0.0339(3) Uani 1 1 d . . . . .
N1 N 0.45488(13) 0.23386(7) 0.3373(2) 0.0322(4) Uani 1 1 d . . . . .
N2 N 0.59250(15) 0.47667(7) 0.2035(2) 0.0413(4) Uani 1 1 d . . . . .
C8 C 0.52116(15) 0.27940(7) 0.4077(2) 0.0271(4) Uani 1 1 d . . . . .
C2 C 0.35595(15) 0.21151(7) 0.3905(2) 0.0282(4) Uani 1 1 d . . . . .
H2 H 0.342946 0.238301 0.480280 0.034 Uiso 1 1 calc R U . . .
C10 C 0.61352(15) 0.29516(7) 0.3255(2) 0.0292(4) Uani 1 1 d . . . . .
H10 H 0.623866 0.271227 0.235908 0.035 Uiso 1 1 calc R U . . .
C11 C 0.68116(15) 0.34122(7) 0.3733(2) 0.0296(4) Uani 1 1 d . . . . .
H11 H 0.669484 0.364217 0.463761 0.035 Uiso 1 1 calc R U . . .
C13 C 0.78348(15) 0.43342(7) 0.2658(2) 0.0283(4) Uani 1 1 d . . . . .
C14 C 0.69671(16) 0.47453(7) 0.3118(2) 0.0316(4) Uani 1 1 d . . . . .
C12 C 0.77422(15) 0.36017(7) 0.2972(2) 0.0286(4) Uani 1 1 d . . . . .
C3 C 0.24806(16) 0.21251(8) 0.2449(2) 0.0363(4) Uani 1 1 d . . . . .
H3A H 0.262284 0.189449 0.150343 0.044 Uiso 1 1 calc R U . . .
H3B H 0.230642 0.253974 0.206811 0.044 Uiso 1 1 calc R U . . .
C7 C 0.38042(16) 0.14914(8) 0.4634(2) 0.0350(4) Uani 1 1 d . . . . .
H7A H 0.402732 0.123121 0.380508 0.042 Uiso 1 1 calc R U . . .
H7B H 0.446165 0.150697 0.564865 0.042 Uiso 1 1 calc R U . . .
C6 C 0.27537(18) 0.12277(8) 0.5088(3) 0.0396(5) Uani 1 1 d . . . . .
H6A H 0.292427 0.081339 0.547502 0.048 Uiso 1 1 calc R U . . .
H6B H 0.258942 0.145843 0.601844 0.048 Uiso 1 1 calc R U . . .
C4 C 0.14469(16) 0.18641(9) 0.2944(3) 0.0409(5) Uani 1 1 d . . . . .
H4A H 0.125889 0.211514 0.381994 0.049 Uiso 1 1 calc R U . . .
H4B H 0.076736 0.186090 0.195850 0.049 Uiso 1 1 calc R U . . .
C5 C 0.17033(18) 0.12362(9) 0.3601(3) 0.0423(5) Uani 1 1 d . . . . .
H5A H 0.102807 0.107695 0.393845 0.051 Uiso 1 1 calc R U . . .
H5B H 0.184236 0.097905 0.270242 0.051 Uiso 1 1 calc R U . . .
C19 C 0.7283(2) 0.50944(9) 0.4536(3) 0.0456(5) Uani 1 1 d . . . . .
H19 H 0.802964 0.506247 0.528964 0.055 Uiso 1 1 calc R U . . .
C16 C 0.5163(2) 0.51511(9) 0.2363(3) 0.0502(6) Uani 1 1 d . . . . .
H16 H 0.441308 0.516733 0.161190 0.060 Uiso 1 1 calc R U . . .
C17 C 0.5403(2) 0.55231(9) 0.3723(3) 0.0548(7) Uani 1 1 d . . . . .
H17 H 0.483770 0.579447 0.389358 0.066 Uiso 1 1 calc R U . . .
C18 C 0.6472(2) 0.54953(9) 0.4827(3) 0.0576(7) Uani 1 1 d . . . . .
H18 H 0.665996 0.574662 0.578310 0.069 Uiso 1 1 calc R U . . .
B1 B 0.73352(19) 0.38709(9) 0.0932(3) 0.0305(5) Uani 1 1 d . . . . .
H1A H 0.642848 0.386790 0.011313 0.037 Uiso 1 1 calc R U . . .
B2 B 0.81626(19) 0.32104(9) 0.1459(3) 0.0344(5) Uani 1 1 d . . . . .
H2A H 0.779819 0.276770 0.097139 0.041 Uiso 1 1 calc R U . . .
B4 B 0.83094(19) 0.44659(9) 0.0915(3) 0.0334(5) Uani 1 1 d . . . . .
H4 H 0.804334 0.485732 0.006529 0.040 Uiso 1 1 calc R U . . .
B5 B 0.92356(18) 0.45428(9) 0.2964(3) 0.0340(5) Uani 1 1 d . . . . .
H5 H 0.958147 0.498722 0.346479 0.041 Uiso 1 1 calc R U . . .
B6 B 0.88482(18) 0.39993(9) 0.4272(3) 0.0337(5) Uani 1 1 d . . . . .
H6 H 0.892550 0.408044 0.563358 0.040 Uiso 1 1 calc R U . . .
B3 B 0.8554(2) 0.37534(9) 0.0149(3) 0.0363(5) Uani 1 1 d . . . . .
H3 H 0.845978 0.367108 -0.121652 0.044 Uiso 1 1 calc R U . . .
B7 B 0.90885(19) 0.32867(10) 0.3499(3) 0.0374(5) Uani 1 1 d . . . . .
H7 H 0.933459 0.289443 0.435131 0.045 Uiso 1 1 calc R U . . .
B9 B 0.9729(2) 0.41713(10) 0.1406(3) 0.0391(5) Uani 1 1 d . . . . .
H9 H 1.041439 0.436649 0.087075 0.047 Uiso 1 1 calc R U . . .
B8 B 1.0059(2) 0.38826(10) 0.3484(3) 0.0402(5) Uani 1 1 d . . . . .
H8 H 1.095881 0.388653 0.432671 0.048 Uiso 1 1 calc R U . . .
B10 B 0.9642(2) 0.33920(10) 0.1731(3) 0.0403(6) Uani 1 1 d . . . . .
H10A H 1.026777 0.307242 0.140980 0.048 Uiso 1 1 calc R U . . .
H1 H 0.4686(17) 0.2188(8) 0.249(3) 0.036(5) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O9 C8 1.238(2) . ?
N1 C8 1.334(2) . ?
N1 C2 1.459(2) . ?
N1 H1 0.86(2) . ?
N2 C14 1.333(2) . ?
N2 C16 1.337(3) . ?
C8 C10 1.486(2) . ?
C2 H2 1.0000 . ?
C2 C3 1.519(3) . ?
C2 C7 1.526(2) . ?
C10 H10 0.9500 . ?
C10 C11 1.312(2) . ?
C11 H11 0.9500 . ?
C11 C12 1.480(2) . ?
C13 C14 1.513(2) . ?
C13 C12 1.678(2) . ?
C13 B1 1.742(3) . ?
C13 B4 1.708(3) . ?
C13 B5 1.698(3) . ?
C13 B6 1.725(3) . ?
C14 C19 1.380(3) . ?
C12 B1 1.738(3) . ?
C12 B2 1.711(3) . ?
C12 B6 1.723(3) . ?
C12 B7 1.712(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.521(2) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C6 1.526(3) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C5 1.512(3) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C5 1.517(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C19 H19 0.9500 . ?
C19 C18 1.393(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.370(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.366(4) . ?
C18 H18 0.9500 . ?
B1 H1A 1.1200 . ?
B1 B2 1.777(3) . ?
B1 B4 1.780(3) . ?
B1 B3 1.767(3) . ?
B2 H2A 1.1200 . ?
B2 B3 1.776(3) . ?
B2 B7 1.768(3) . ?
B2 B10 1.777(3) . ?
B4 H4 1.1200 . ?
B4 B5 1.774(3) . ?
B4 B3 1.777(3) . ?
B4 B9 1.772(3) . ?
B5 H5 1.1200 . ?
B5 B6 1.774(3) . ?
B5 B9 1.764(3) . ?
B5 B8 1.774(3) . ?
B6 H6 1.1200 . ?
B6 B7 1.778(3) . ?
B6 B8 1.760(3) . ?
B3 H3 1.1200 . ?
B3 B9 1.784(3) . ?
B3 B10 1.784(3) . ?
B7 H7 1.1200 . ?
B7 B8 1.778(3) . ?
B7 B10 1.773(3) . ?
B9 H9 1.1200 . ?
B9 B8 1.782(3) . ?
B9 B10 1.782(3) . ?
B8 H8 1.1200 . ?
B8 B10 1.786(3) . ?
B10 H10A 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
C8 N1 C2 124.88(16) . . ?
C8 N1 H1 116.7(13) . . ?
C2 N1 H1 118.2(13) . . ?
C14 N2 C16 117.20(19) . . ?
O9 C8 N1 124.20(16) . . ?
O9 C8 C10 121.36(15) . . ?
N1 C8 C10 114.44(15) . . ?
N1 C2 H2 108.3 . . ?
N1 C2 C3 110.28(14) . . ?
N1 C2 C7 110.44(14) . . ?
C3 C2 H2 108.3 . . ?
C3 C2 C7 111.24(14) . . ?
C7 C2 H2 108.3 . . ?
C8 C10 H10 119.1 . . ?
C11 C10 C8 121.79(16) . . ?
C11 C10 H10 119.1 . . ?
C10 C11 H11 117.4 . . ?
C10 C11 C12 125.12(17) . . ?
C12 C11 H11 117.4 . . ?
C14 C13 C12 118.99(13) . . ?
C14 C13 B1 117.42(15) . . ?
C14 C13 B4 120.56(15) . . ?
C14 C13 B5 120.77(14) . . ?
C14 C13 B6 117.66(15) . . ?
C12 C13 B1 61.04(11) . . ?
C12 C13 B4 110.57(13) . . ?
C12 C13 B5 110.60(14) . . ?
C12 C13 B6 60.81(11) . . ?
B4 C13 B1 62.09(11) . . ?
B4 C13 B6 113.94(14) . . ?
B5 C13 B1 113.70(14) . . ?
B5 C13 B4 62.78(12) . . ?
B5 C13 B6 62.41(12) . . ?
B6 C13 B1 113.15(14) . . ?
N2 C14 C13 116.00(16) . . ?
N2 C14 C19 123.38(18) . . ?
C19 C14 C13 120.54(18) . . ?
C11 C12 C13 115.91(14) . . ?
C11 C12 B1 117.51(15) . . ?
C11 C12 B2 124.19(14) . . ?
C11 C12 B6 115.31(15) . . ?
C11 C12 B7 122.56(15) . . ?
C13 C12 B1 61.31(11) . . ?
C13 C12 B2 110.41(13) . . ?
C13 C12 B6 60.95(11) . . ?
C13 C12 B7 110.51(13) . . ?
B2 C12 B1 62.03(12) . . ?
B2 C12 B6 113.44(14) . . ?
B2 C12 B7 62.22(13) . . ?
B6 C12 B1 113.50(13) . . ?
B7 C12 B1 113.43(14) . . ?
B7 C12 B6 62.36(12) . . ?
C2 C3 H3A 109.3 . . ?
C2 C3 H3B 109.3 . . ?
C2 C3 C4 111.45(15) . . ?
H3A C3 H3B 108.0 . . ?
C4 C3 H3A 109.3 . . ?
C4 C3 H3B 109.3 . . ?
C2 C7 H7A 109.3 . . ?
C2 C7 H7B 109.3 . . ?
H7A C7 H7B 107.9 . . ?
C6 C7 C2 111.69(15) . . ?
C6 C7 H7A 109.3 . . ?
C6 C7 H7B 109.3 . . ?
C7 C6 H6A 109.4 . . ?
C7 C6 H6B 109.4 . . ?
H6A C6 H6B 108.0 . . ?
C5 C6 C7 111.12(16) . . ?
C5 C6 H6A 109.4 . . ?
C5 C6 H6B 109.4 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 108.1 . . ?
C5 C4 C3 110.69(16) . . ?
C5 C4 H4A 109.5 . . ?
C5 C4 H4B 109.5 . . ?
C6 C5 C4 110.51(16) . . ?
C6 C5 H5A 109.5 . . ?
C6 C5 H5B 109.5 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 108.1 . . ?
C14 C19 H19 121.1 . . ?
C14 C19 C18 117.9(2) . . ?
C18 C19 H19 121.1 . . ?
N2 C16 H16 118.2 . . ?
N2 C16 C17 123.7(2) . . ?
C17 C16 H16 118.2 . . ?
C16 C17 H17 120.7 . . ?
C18 C17 C16 118.6(2) . . ?
C18 C17 H17 120.7 . . ?
C19 C18 H18 120.4 . . ?
C17 C18 C19 119.3(2) . . ?
C17 C18 H18 120.4 . . ?
C13 B1 H1A 124.7 . . ?
C13 B1 B2 104.49(15) . . ?
C13 B1 B4 58.02(11) . . ?
C13 B1 B3 104.49(15) . . ?
C12 B1 C13 57.65(10) . . ?
C12 B1 H1A 124.5 . . ?
C12 B1 B2 58.24(11) . . ?
C12 B1 B4 104.62(14) . . ?
C12 B1 B3 104.77(15) . . ?
B2 B1 H1A 122.3 . . ?
B2 B1 B4 107.85(15) . . ?
B4 B1 H1A 122.3 . . ?
B3 B1 H1A 122.9 . . ?
B3 B1 B2 60.16(12) . . ?
B3 B1 B4 60.15(12) . . ?
C12 B2 B1 59.73(11) . . ?
C12 B2 H2A 124.0 . . ?
C12 B2 B3 105.51(14) . . ?
C12 B2 B7 58.91(12) . . ?
C12 B2 B10 105.36(15) . . ?
B1 B2 H2A 121.1 . . ?
B3 B2 B1 59.62(12) . . ?
B3 B2 H2A 122.2 . . ?
B3 B2 B10 60.27(13) . . ?
B7 B2 B1 108.85(15) . . ?
B7 B2 H2A 121.2 . . ?
B7 B2 B3 108.36(15) . . ?
B7 B2 B10 60.03(13) . . ?
B10 B2 B1 108.25(15) . . ?
B10 B2 H2A 122.2 . . ?
C13 B4 B1 59.89(11) . . ?
C13 B4 H4 124.2 . . ?
C13 B4 B5 58.31(11) . . ?
C13 B4 B3 105.47(14) . . ?
C13 B4 B9 104.73(15) . . ?
B1 B4 H4 121.2 . . ?
B5 B4 B1 108.28(15) . . ?
B5 B4 H4 121.8 . . ?
B5 B4 B3 107.95(16) . . ?
B3 B4 B1 59.56(11) . . ?
B3 B4 H4 122.2 . . ?
B9 B4 B1 108.02(15) . . ?
B9 B4 H4 122.5 . . ?
B9 B4 B5 59.64(13) . . ?
B9 B4 B3 60.35(13) . . ?
C13 B5 B4 58.91(11) . . ?
C13 B5 H5 123.9 . . ?
C13 B5 B6 59.55(11) . . ?
C13 B5 B9 105.55(15) . . ?
C13 B5 B8 105.70(14) . . ?
B4 B5 H5 121.2 . . ?
B6 B5 B4 108.46(14) . . ?
B6 B5 H5 121.4 . . ?
B6 B5 B8 59.50(12) . . ?
B9 B5 B4 60.11(13) . . ?
B9 B5 H5 122.1 . . ?
B9 B5 B6 108.06(15) . . ?
B9 B5 B8 60.49(13) . . ?
B8 B5 B4 108.60(16) . . ?
B8 B5 H5 122.0 . . ?
C13 B6 B5 58.04(11) . . ?
C13 B6 H6 124.2 . . ?
C13 B6 B7 105.30(15) . . ?
C13 B6 B8 105.12(15) . . ?
C12 B6 C13 58.24(10) . . ?
C12 B6 B5 105.06(15) . . ?
C12 B6 H6 124.0 . . ?
C12 B6 B7 58.51(11) . . ?
C12 B6 B8 105.44(15) . . ?
B5 B6 H6 122.3 . . ?
B5 B6 B7 108.08(16) . . ?
B7 B6 H6 122.0 . . ?
B8 B6 B5 60.26(12) . . ?
B8 B6 H6 122.5 . . ?
B8 B6 B7 60.34(12) . . ?
B1 B3 B2 60.22(12) . . ?
B1 B3 B4 60.30(11) . . ?
B1 B3 H3 121.3 . . ?
B1 B3 B9 108.07(15) . . ?
B1 B3 B10 108.41(16) . . ?
B2 B3 B4 108.01(15) . . ?
B2 B3 H3 121.9 . . ?
B2 B3 B9 107.58(17) . . ?
B2 B3 B10 59.87(13) . . ?
B4 B3 H3 121.8 . . ?
B4 B3 B9 59.68(12) . . ?
B4 B3 B10 107.92(16) . . ?
B9 B3 H3 122.0 . . ?
B10 B3 H3 121.7 . . ?
B10 B3 B9 59.94(13) . . ?
C12 B7 B2 58.87(11) . . ?
C12 B7 B6 59.13(11) . . ?
C12 B7 H7 124.2 . . ?
C12 B7 B8 105.13(15) . . ?
C12 B7 B10 105.47(16) . . ?
B2 B7 B6 108.08(15) . . ?
B2 B7 H7 121.3 . . ?
B2 B7 B8 108.35(16) . . ?
B2 B7 B10 60.22(13) . . ?
B6 B7 H7 121.7 . . ?
B6 B7 B8 59.33(12) . . ?
B8 B7 H7 122.3 . . ?
B10 B7 B6 107.86(15) . . ?
B10 B7 H7 122.0 . . ?
B10 B7 B8 60.40(13) . . ?
B4 B9 B3 59.97(12) . . ?
B4 B9 H9 121.5 . . ?
B4 B9 B8 108.35(15) . . ?
B4 B9 B10 108.22(15) . . ?
B5 B9 B4 60.24(12) . . ?
B5 B9 B3 108.12(15) . . ?
B5 B9 H9 121.6 . . ?
B5 B9 B8 60.04(13) . . ?
B5 B9 B10 108.23(16) . . ?
B3 B9 H9 121.7 . . ?
B8 B9 B3 108.15(15) . . ?
B8 B9 H9 121.5 . . ?
B8 B9 B10 60.16(13) . . ?
B10 B9 B3 60.03(13) . . ?
B10 B9 H9 121.6 . . ?
B5 B8 B7 108.05(16) . . ?
B5 B8 B9 59.46(13) . . ?
B5 B8 H8 121.9 . . ?
B5 B8 B10 107.57(17) . . ?
B6 B8 B5 60.24(12) . . ?
B6 B8 B7 60.33(12) . . ?
B6 B8 B9 107.83(16) . . ?
B6 B8 H8 121.4 . . ?
B6 B8 B10 108.07(16) . . ?
B7 B8 B9 107.55(17) . . ?
B7 B8 H8 121.8 . . ?
B7 B8 B10 59.66(13) . . ?
B9 B8 H8 122.1 . . ?
B9 B8 B10 59.92(13) . . ?
B10 B8 H8 121.9 . . ?
B2 B10 B3 59.85(12) . . ?
B2 B10 B9 107.65(16) . . ?
B2 B10 B8 107.63(16) . . ?
B2 B10 H10A 122.0 . . ?
B3 B10 B8 107.96(15) . . ?
B3 B10 H10A 121.7 . . ?
B7 B10 B2 59.75(13) . . ?
B7 B10 B3 107.80(16) . . ?
B7 B10 B9 107.77(16) . . ?
B7 B10 B8 59.94(13) . . ?
B7 B10 H10A 121.9 . . ?
B9 B10 B3 60.04(13) . . ?
B9 B10 B8 59.91(13) . . ?
B9 B10 H10A 121.8 . . ?
B8 B10 H10A 121.8 . . ?

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
O9 C8 C10 C11 -4.2(3) . . . . ?
N1 C8 C10 C11 175.62(17) . . . . ?
N1 C2 C3 C4 177.04(15) . . . . ?
N1 C2 C7 C6 -175.94(15) . . . . ?
N2 C14 C19 C18 -1.1(3) . . . . ?
N2 C16 C17 C18 -1.2(3) . . . . ?
C8 N1 C2 C3 123.31(18) . . . . ?
C8 N1 C2 C7 -113.32(19) . . . . ?
C8 C10 C11 C12 -179.45(16) . . . . ?
C2 N1 C8 O9 2.4(3) . . . . ?
C2 N1 C8 C10 -177.45(16) . . . . ?
C2 C3 C4 C5 -56.7(2) . . . . ?
C2 C7 C6 C5 54.9(2) . . . . ?
C10 C11 C12 C13 137.20(18) . . . . ?
C10 C11 C12 B1 67.6(2) . . . . ?
C10 C11 C12 B2 -5.8(3) . . . . ?
C10 C11 C12 B6 -154.36(18) . . . . ?
C10 C11 C12 B7 -82.2(2) . . . . ?
C11 C12 B1 C13 106.06(16) . . . . ?
C11 C12 B1 B2 -116.16(17) . . . . ?
C11 C12 B1 B4 141.66(15) . . . . ?
C11 C12 B1 B3 -155.94(15) . . . . ?
C11 C12 B2 B1 105.75(19) . . . . ?
C11 C12 B2 B3 145.44(17) . . . . ?
C11 C12 B2 B7 -112.18(19) . . . . ?
C11 C12 B2 B10 -151.78(17) . . . . ?
C11 C12 B6 C13 -106.87(16) . . . . ?
C11 C12 B6 B5 -142.65(15) . . . . ?
C11 C12 B6 B7 115.11(17) . . . . ?
C11 C12 B6 B8 154.65(15) . . . . ?
C11 C12 B7 B2 114.65(18) . . . . ?
C11 C12 B7 B6 -103.78(18) . . . . ?
C11 C12 B7 B8 -142.77(17) . . . . ?
C11 C12 B7 B10 154.37(16) . . . . ?
C13 C14 C19 C18 175.39(17) . . . . ?
C13 C12 B1 B2 137.78(14) . . . . ?
C13 C12 B1 B4 35.60(13) . . . . ?
C13 C12 B1 B3 98.00(14) . . . . ?
C13 C12 B2 B1 -38.97(14) . . . . ?
C13 C12 B2 B3 0.71(19) . . . . ?
C13 C12 B2 B7 103.09(15) . . . . ?
C13 C12 B2 B10 63.49(18) . . . . ?
C13 C12 B6 B5 -35.77(13) . . . . ?
C13 C12 B6 B7 -138.01(15) . . . . ?
C13 C12 B6 B8 -98.47(15) . . . . ?
C13 C12 B7 B2 -102.93(15) . . . . ?
C13 C12 B7 B6 38.64(14) . . . . ?
C13 C12 B7 B8 -0.4(2) . . . . ?
C13 C12 B7 B10 -63.21(18) . . . . ?
C13 B1 B2 C12 35.89(12) . . . . ?
C13 B1 B2 B3 -98.61(15) . . . . ?
C13 B1 B2 B7 2.09(18) . . . . ?
C13 B1 B2 B10 -61.60(18) . . . . ?
C13 B1 B4 B5 33.80(13) . . . . ?
C13 B1 B4 B3 134.30(16) . . . . ?
C13 B1 B4 B9 96.91(16) . . . . ?
C13 B1 B3 B2 98.61(15) . . . . ?
C13 B1 B3 B4 -38.83(13) . . . . ?
C13 B1 B3 B9 -1.72(19) . . . . ?
C13 B1 B3 B10 61.74(17) . . . . ?
C13 B4 B5 B6 34.38(13) . . . . ?
C13 B4 B5 B9 135.05(15) . . . . ?
C13 B4 B5 B8 97.50(15) . . . . ?
C13 B4 B3 B1 39.97(14) . . . . ?
C13 B4 B3 B2 1.9(2) . . . . ?
C13 B4 B3 B9 -98.39(16) . . . . ?
C13 B4 B3 B10 -61.43(18) . . . . ?
C13 B4 B9 B5 -38.43(13) . . . . ?
C13 B4 B9 B3 99.66(15) . . . . ?
C13 B4 B9 B8 -1.14(19) . . . . ?
C13 B4 B9 B10 62.58(19) . . . . ?
C13 B5 B6 C12 35.86(13) . . . . ?
C13 B5 B6 B7 97.10(16) . . . . ?
C13 B5 B6 B8 135.29(16) . . . . ?
C13 B5 B9 B4 38.90(13) . . . . ?
C13 B5 B9 B3 1.4(2) . . . . ?
C13 B5 B9 B8 -99.51(15) . . . . ?
C13 B5 B9 B10 -62.11(19) . . . . ?
C13 B5 B8 B6 -39.05(14) . . . . ?
C13 B5 B8 B7 -0.9(2) . . . . ?
C13 B5 B8 B9 99.26(16) . . . . ?
C13 B5 B8 B10 62.12(18) . . . . ?
C13 B6 B7 C12 -36.14(13) . . . . ?
C13 B6 B7 B2 -2.10(19) . . . . ?
C13 B6 B7 B8 98.94(16) . . . . ?
C13 B6 B7 B10 61.55(18) . . . . ?
C13 B6 B8 B5 38.19(13) . . . . ?
C13 B6 B8 B7 -99.25(16) . . . . ?
C13 B6 B8 B9 1.20(19) . . . . ?
C13 B6 B8 B10 -62.13(18) . . . . ?
C14 N2 C16 C17 0.9(3) . . . . ?
C14 C13 C12 C11 -1.5(2) . . . . ?
C14 C13 C12 B1 107.16(18) . . . . ?
C14 C13 C12 B2 146.45(16) . . . . ?
C14 C13 C12 B6 -107.37(18) . . . . ?
C14 C13 C12 B7 -146.62(17) . . . . ?
C14 C13 B1 C12 -109.69(16) . . . . ?
C14 C13 B1 B2 -145.85(15) . . . . ?
C14 C13 B1 B4 111.92(17) . . . . ?
C14 C13 B1 B3 151.80(15) . . . . ?
C14 C13 B4 B1 -107.00(18) . . . . ?
C14 C13 B4 B5 111.37(18) . . . . ?
C14 C13 B4 B3 -146.80(16) . . . . ?
C14 C13 B4 B9 150.45(16) . . . . ?
C14 C13 B5 B4 -111.05(18) . . . . ?
C14 C13 B5 B6 107.37(18) . . . . ?
C14 C13 B5 B9 -150.53(16) . . . . ?
C14 C13 B5 B8 146.39(17) . . . . ?
C14 C13 B6 C12 109.51(16) . . . . ?
C14 C13 B6 B5 -112.20(16) . . . . ?
C14 C13 B6 B7 145.76(15) . . . . ?
C14 C13 B6 B8 -151.46(15) . . . . ?
C14 C19 C18 C17 0.7(3) . . . . ?
C12 C13 C14 N2 -78.2(2) . . . . ?
C12 C13 C14 C19 105.13(19) . . . . ?
C12 C13 B1 B2 -36.16(12) . . . . ?
C12 C13 B1 B4 -138.39(15) . . . . ?
C12 C13 B1 B3 -98.52(15) . . . . ?
C12 C13 B4 B1 38.36(14) . . . . ?
C12 C13 B4 B5 -103.27(15) . . . . ?
C12 C13 B4 B3 -1.4(2) . . . . ?
C12 C13 B4 B9 -64.19(17) . . . . ?
C12 C13 B5 B4 103.23(15) . . . . ?
C12 C13 B5 B6 -38.36(14) . . . . ?
C12 C13 B5 B9 63.75(18) . . . . ?
C12 C13 B5 B8 0.67(19) . . . . ?
C12 C13 B6 B5 138.29(15) . . . . ?
C12 C13 B6 B7 36.26(13) . . . . ?
C12 C13 B6 B8 99.03(15) . . . . ?
C12 B1 B2 B3 -134.50(15) . . . . ?
C12 B1 B2 B7 -33.80(13) . . . . ?
C12 B1 B2 B10 -97.49(16) . . . . ?
C12 B1 B4 C13 -35.43(12) . . . . ?
C12 B1 B4 B5 -1.63(18) . . . . ?
C12 B1 B4 B3 98.87(16) . . . . ?
C12 B1 B4 B9 61.48(17) . . . . ?
C12 B1 B3 B2 38.84(13) . . . . ?
C12 B1 B3 B4 -98.60(15) . . . . ?
C12 B1 B3 B9 -61.49(17) . . . . ?
C12 B1 B3 B10 1.97(18) . . . . ?
C12 B2 B3 B1 -39.74(14) . . . . ?
C12 B2 B3 B4 -1.6(2) . . . . ?
C12 B2 B3 B9 61.42(18) . . . . ?
C12 B2 B3 B10 99.10(16) . . . . ?
C12 B2 B7 B6 -34.14(13) . . . . ?
C12 B2 B7 B8 -96.95(16) . . . . ?
C12 B2 B7 B10 -134.80(15) . . . . ?
C12 B2 B10 B3 -99.35(15) . . . . ?
C12 B2 B10 B7 39.06(14) . . . . ?
C12 B2 B10 B9 -61.6(2) . . . . ?
C12 B2 B10 B8 1.6(2) . . . . ?
C12 B6 B7 B2 34.03(13) . . . . ?
C12 B6 B7 B8 135.08(17) . . . . ?
C12 B6 B7 B10 97.69(17) . . . . ?
C12 B6 B8 B5 98.78(16) . . . . ?
C12 B6 B8 B7 -38.66(14) . . . . ?
C12 B6 B8 B9 61.79(18) . . . . ?
C12 B6 B8 B10 -1.5(2) . . . . ?
C12 B7 B8 B5 0.8(2) . . . . ?
C12 B7 B8 B6 38.89(14) . . . . ?
C12 B7 B8 B9 -62.02(19) . . . . ?
C12 B7 B8 B10 -99.45(17) . . . . ?
C12 B7 B10 B2 -39.06(13) . . . . ?
C12 B7 B10 B3 -1.99(19) . . . . ?
C12 B7 B10 B9 61.40(19) . . . . ?
C12 B7 B10 B8 98.88(16) . . . . ?
C3 C2 C7 C6 -53.1(2) . . . . ?
C3 C4 C5 C6 58.0(2) . . . . ?
C7 C2 C3 C4 54.1(2) . . . . ?
C7 C6 C5 C4 -57.1(2) . . . . ?
C16 N2 C14 C13 -176.34(16) . . . . ?
C16 N2 C14 C19 0.3(3) . . . . ?
C16 C17 C18 C19 0.3(3) . . . . ?
B1 C13 C14 N2 -7.8(2) . . . . ?
B1 C13 C14 C19 175.49(16) . . . . ?
B1 C13 C12 C11 -108.63(17) . . . . ?
B1 C13 C12 B2 39.29(14) . . . . ?
B1 C13 C12 B6 145.47(15) . . . . ?
B1 C13 C12 B7 106.22(16) . . . . ?
B1 C13 B4 B5 -141.63(15) . . . . ?
B1 C13 B4 B3 -39.81(14) . . . . ?
B1 C13 B4 B9 -102.55(15) . . . . ?
B1 C13 B5 B4 36.80(14) . . . . ?
B1 C13 B5 B6 -104.78(16) . . . . ?
B1 C13 B5 B9 -2.7(2) . . . . ?
B1 C13 B5 B8 -65.76(19) . . . . ?
B1 C13 B6 C12 -32.64(13) . . . . ?
B1 C13 B6 B5 105.65(15) . . . . ?
B1 C13 B6 B7 3.62(19) . . . . ?
B1 C13 B6 B8 66.40(17) . . . . ?
B1 C12 B2 B3 39.68(14) . . . . ?
B1 C12 B2 B7 142.07(15) . . . . ?
B1 C12 B2 B10 102.46(16) . . . . ?
B1 C12 B6 C13 32.83(13) . . . . ?
B1 C12 B6 B5 -2.94(19) . . . . ?
B1 C12 B6 B7 -105.18(16) . . . . ?
B1 C12 B6 B8 -65.64(18) . . . . ?
B1 C12 B7 B2 -36.28(14) . . . . ?
B1 C12 B7 B6 105.29(15) . . . . ?
B1 C12 B7 B8 66.29(19) . . . . ?
B1 C12 B7 B10 3.43(19) . . . . ?
B1 B2 B3 B4 38.15(15) . . . . ?
B1 B2 B3 B9 101.16(16) . . . . ?
B1 B2 B3 B10 138.84(16) . . . . ?
B1 B2 B7 C12 34.13(13) . . . . ?
B1 B2 B7 B6 0.0(2) . . . . ?
B1 B2 B7 B8 -62.82(19) . . . . ?
B1 B2 B7 B10 -100.67(16) . . . . ?
B1 B2 B10 B3 -36.72(15) . . . . ?
B1 B2 B10 B7 101.68(16) . . . . ?
B1 B2 B10 B9 1.0(2) . . . . ?
B1 B2 B10 B8 64.2(2) . . . . ?
B1 B4 B5 C13 -34.44(13) . . . . ?
B1 B4 B5 B6 -0.1(2) . . . . ?
B1 B4 B5 B9 100.61(16) . . . . ?
B1 B4 B5 B8 63.06(18) . . . . ?
B1 B4 B3 B2 -38.12(15) . . . . ?
B1 B4 B3 B9 -138.36(16) . . . . ?
B1 B4 B3 B10 -101.40(16) . . . . ?
B1 B4 B9 B5 -101.05(16) . . . . ?
B1 B4 B9 B3 37.04(14) . . . . ?
B1 B4 B9 B8 -63.76(19) . . . . ?
B1 B4 B9 B10 0.0(2) . . . . ?
B1 B3 B9 B4 -37.38(14) . . . . ?
B1 B3 B9 B5 0.2(2) . . . . ?
B1 B3 B9 B8 63.76(19) . . . . ?
B1 B3 B9 B10 101.24(17) . . . . ?
B1 B3 B10 B2 37.02(14) . . . . ?
B1 B3 B10 B7 0.0(2) . . . . ?
B1 B3 B10 B9 -100.67(16) . . . . ?
B1 B3 B10 B8 -63.34(18) . . . . ?
B2 C12 B1 C13 -137.78(14) . . . . ?
B2 C12 B1 B4 -102.18(15) . . . . ?
B2 C12 B1 B3 -39.78(13) . . . . ?
B2 C12 B6 C13 101.19(15) . . . . ?
B2 C12 B6 B5 65.42(18) . . . . ?
B2 C12 B6 B7 -36.82(15) . . . . ?
B2 C12 B6 B8 2.71(19) . . . . ?
B2 C12 B7 B6 141.57(15) . . . . ?
B2 C12 B7 B8 102.58(17) . . . . ?
B2 C12 B7 B10 39.72(14) . . . . ?
B2 B1 B4 C13 -96.25(15) . . . . ?
B2 B1 B4 B5 -62.45(18) . . . . ?
B2 B1 B4 B3 38.05(15) . . . . ?
B2 B1 B4 B9 0.7(2) . . . . ?
B2 B1 B3 B4 -137.44(17) . . . . ?
B2 B1 B3 B9 -100.33(17) . . . . ?
B2 B1 B3 B10 -36.87(14) . . . . ?
B2 B3 B9 B4 -100.97(16) . . . . ?
B2 B3 B9 B5 -63.38(19) . . . . ?
B2 B3 B9 B8 0.2(2) . . . . ?
B2 B3 B9 B10 37.65(15) . . . . ?
B2 B3 B10 B7 -37.03(14) . . . . ?
B2 B3 B10 B9 -137.69(16) . . . . ?
B2 B3 B10 B8 -100.36(16) . . . . ?
B2 B7 B8 B5 62.4(2) . . . . ?
B2 B7 B8 B6 100.56(16) . . . . ?
B2 B7 B8 B9 -0.4(2) . . . . ?
B2 B7 B8 B10 -37.78(15) . . . . ?
B2 B7 B10 B3 37.08(14) . . . . ?
B2 B7 B10 B9 100.47(17) . . . . ?
B2 B7 B10 B8 137.94(16) . . . . ?
B4 C13 C14 N2 64.4(2) . . . . ?
B4 C13 C14 C19 -112.3(2) . . . . ?
B4 C13 C12 C11 -147.45(16) . . . . ?
B4 C13 C12 B1 -38.81(14) . . . . ?
B4 C13 C12 B2 0.5(2) . . . . ?
B4 C13 C12 B6 106.66(16) . . . . ?
B4 C13 C12 B7 67.41(18) . . . . ?
B4 C13 B1 C12 138.39(15) . . . . ?
B4 C13 B1 B2 102.23(15) . . . . ?
B4 C13 B1 B3 39.87(14) . . . . ?
B4 C13 B5 B6 -141.58(15) . . . . ?
B4 C13 B5 B9 -39.48(14) . . . . ?
B4 C13 B5 B8 -102.56(17) . . . . ?
B4 C13 B6 C12 -101.09(15) . . . . ?
B4 C13 B6 B5 37.20(14) . . . . ?
B4 C13 B6 B7 -64.83(17) . . . . ?
B4 C13 B6 B8 -2.06(19) . . . . ?
B4 B1 B2 C12 96.46(15) . . . . ?
B4 B1 B2 B3 -38.04(15) . . . . ?
B4 B1 B2 B7 62.66(18) . . . . ?
B4 B1 B2 B10 -1.0(2) . . . . ?
B4 B1 B3 B2 137.44(17) . . . . ?
B4 B1 B3 B9 37.11(15) . . . . ?
B4 B1 B3 B10 100.57(17) . . . . ?
B4 B5 B6 C13 -34.12(13) . . . . ?
B4 B5 B6 C12 1.74(19) . . . . ?
B4 B5 B6 B7 62.97(19) . . . . ?
B4 B5 B6 B8 101.16(17) . . . . ?
B4 B5 B9 B3 -37.48(14) . . . . ?
B4 B5 B9 B8 -138.42(15) . . . . ?
B4 B5 B9 B10 -101.01(17) . . . . ?
B4 B5 B8 B6 -100.92(16) . . . . ?
B4 B5 B8 B7 -62.7(2) . . . . ?
B4 B5 B8 B9 37.38(14) . . . . ?
B4 B5 B8 B10 0.24(19) . . . . ?
B4 B3 B9 B5 37.60(15) . . . . ?
B4 B3 B9 B8 101.13(16) . . . . ?
B4 B3 B9 B10 138.62(16) . . . . ?
B4 B3 B10 B2 100.84(16) . . . . ?
B4 B3 B10 B7 63.81(18) . . . . ?
B4 B3 B10 B9 -36.85(14) . . . . ?
B4 B3 B10 B8 0.5(2) . . . . ?
B4 B9 B8 B5 -37.38(14) . . . . ?
B4 B9 B8 B6 0.0(2) . . . . ?
B4 B9 B8 B7 63.62(19) . . . . ?
B4 B9 B8 B10 100.93(17) . . . . ?
B4 B9 B10 B2 -0.6(2) . . . . ?
B4 B9 B10 B3 37.05(15) . . . . ?
B4 B9 B10 B7 -63.7(2) . . . . ?
B4 B9 B10 B8 -101.14(17) . . . . ?
B5 C13 C14 N2 138.91(17) . . . . ?
B5 C13 C14 C19 -37.8(2) . . . . ?
B5 C13 C12 C11 144.94(16) . . . . ?
B5 C13 C12 B1 -106.43(15) . . . . ?
B5 C13 C12 B2 -67.14(18) . . . . ?
B5 C13 C12 B6 39.05(14) . . . . ?
B5 C13 C12 B7 -0.21(19) . . . . ?
B5 C13 B1 C12 101.32(15) . . . . ?
B5 C13 B1 B2 65.15(17) . . . . ?
B5 C13 B1 B4 -37.07(15) . . . . ?
B5 C13 B1 B3 2.80(19) . . . . ?
B5 C13 B4 B1 141.63(15) . . . . ?
B5 C13 B4 B3 101.82(16) . . . . ?
B5 C13 B4 B9 39.08(14) . . . . ?
B5 C13 B6 C12 -138.29(15) . . . . ?
B5 C13 B6 B7 -102.03(16) . . . . ?
B5 C13 B6 B8 -39.26(14) . . . . ?
B5 B4 B3 B1 101.07(15) . . . . ?
B5 B4 B3 B2 62.96(19) . . . . ?
B5 B4 B3 B9 -37.29(14) . . . . ?
B5 B4 B3 B10 -0.33(19) . . . . ?
B5 B4 B9 B3 138.09(16) . . . . ?
B5 B4 B9 B8 37.29(14) . . . . ?
B5 B4 B9 B10 101.02(17) . . . . ?
B5 B6 B7 C12 -96.92(16) . . . . ?
B5 B6 B7 B2 -62.89(18) . . . . ?
B5 B6 B7 B8 38.15(15) . . . . ?
B5 B6 B7 B10 0.8(2) . . . . ?
B5 B6 B8 B7 -137.44(17) . . . . ?
B5 B6 B8 B9 -37.00(14) . . . . ?
B5 B6 B8 B10 -100.32(17) . . . . ?
B5 B9 B8 B6 37.34(14) . . . . ?
B5 B9 B8 B7 101.00(17) . . . . ?
B5 B9 B8 B10 138.30(16) . . . . ?
B5 B9 B10 B2 63.2(2) . . . . ?
B5 B9 B10 B3 100.84(17) . . . . ?
B5 B9 B10 B7 0.1(2) . . . . ?
B5 B9 B10 B8 -37.36(15) . . . . ?
B5 B8 B10 B2 -63.64(19) . . . . ?
B5 B8 B10 B3 -0.4(2) . . . . ?
B5 B8 B10 B7 -101.03(16) . . . . ?
B5 B8 B10 B9 36.94(14) . . . . ?
B6 C13 C14 N2 -148.33(16) . . . . ?
B6 C13 C14 C19 35.0(2) . . . . ?
B6 C13 C12 C11 105.89(17) . . . . ?
B6 C13 C12 B1 -145.47(15) . . . . ?
B6 C13 C12 B2 -106.19(16) . . . . ?
B6 C13 C12 B7 -39.25(15) . . . . ?
B6 C13 B1 C12 32.56(13) . . . . ?
B6 C13 B1 B2 -3.60(18) . . . . ?
B6 C13 B1 B4 -105.83(16) . . . . ?
B6 C13 B1 B3 -65.96(17) . . . . ?
B6 C13 B4 B1 104.58(15) . . . . ?
B6 C13 B4 B5 -37.05(14) . . . . ?
B6 C13 B4 B3 64.77(18) . . . . ?
B6 C13 B4 B9 2.02(19) . . . . ?
B6 C13 B5 B4 141.58(15) . . . . ?
B6 C13 B5 B9 102.10(16) . . . . ?
B6 C13 B5 B8 39.03(15) . . . . ?
B6 C12 B1 C13 -32.70(14) . . . . ?
B6 C12 B1 B2 105.08(16) . . . . ?
B6 C12 B1 B4 2.90(19) . . . . ?
B6 C12 B1 B3 65.30(17) . . . . ?
B6 C12 B2 B1 -105.18(15) . . . . ?
B6 C12 B2 B3 -65.50(19) . . . . ?
B6 C12 B2 B7 36.88(15) . . . . ?
B6 C12 B2 B10 -2.7(2) . . . . ?
B6 C12 B7 B2 -141.57(15) . . . . ?
B6 C12 B7 B8 -38.99(15) . . . . ?
B6 C12 B7 B10 -101.85(16) . . . . ?
B6 B5 B9 B4 101.35(16) . . . . ?
B6 B5 B9 B3 63.9(2) . . . . ?
B6 B5 B9 B8 -37.07(15) . . . . ?
B6 B5 B9 B10 0.3(2) . . . . ?
B6 B5 B8 B7 38.18(15) . . . . ?
B6 B5 B8 B9 138.31(16) . . . . ?
B6 B5 B8 B10 101.17(16) . . . . ?
B6 B7 B8 B5 -38.14(15) . . . . ?
B6 B7 B8 B9 -100.92(17) . . . . ?
B6 B7 B8 B10 -138.34(17) . . . . ?
B6 B7 B10 B2 -101.02(16) . . . . ?
B6 B7 B10 B3 -63.94(19) . . . . ?
B6 B7 B10 B9 -0.6(2) . . . . ?
B6 B7 B10 B8 36.92(15) . . . . ?
B6 B8 B10 B2 0.0(2) . . . . ?
B6 B8 B10 B3 63.17(19) . . . . ?
B6 B8 B10 B7 -37.41(15) . . . . ?
B6 B8 B10 B9 100.56(17) . . . . ?
B3 B1 B2 C12 134.50(15) . . . . ?
B3 B1 B2 B7 100.70(16) . . . . ?
B3 B1 B2 B10 37.01(15) . . . . ?
B3 B1 B4 C13 -134.30(16) . . . . ?
B3 B1 B4 B5 -100.50(17) . . . . ?
B3 B1 B4 B9 -37.39(15) . . . . ?
B3 B2 B7 C12 97.40(15) . . . . ?
B3 B2 B7 B6 63.26(18) . . . . ?
B3 B2 B7 B8 0.5(2) . . . . ?
B3 B2 B7 B10 -37.40(14) . . . . ?
B3 B2 B10 B7 138.41(16) . . . . ?
B3 B2 B10 B9 37.73(15) . . . . ?
B3 B2 B10 B8 100.93(16) . . . . ?
B3 B4 B5 C13 -97.44(15) . . . . ?
B3 B4 B5 B6 -63.06(18) . . . . ?
B3 B4 B5 B9 37.60(14) . . . . ?
B3 B4 B5 B8 0.05(19) . . . . ?
B3 B4 B9 B5 -138.09(16) . . . . ?
B3 B4 B9 B8 -100.80(16) . . . . ?
B3 B4 B9 B10 -37.08(16) . . . . ?
B3 B9 B8 B5 -100.88(16) . . . . ?
B3 B9 B8 B6 -63.54(19) . . . . ?
B3 B9 B8 B7 0.1(2) . . . . ?
B3 B9 B8 B10 37.42(14) . . . . ?
B3 B9 B10 B2 -37.65(15) . . . . ?
B3 B9 B10 B7 -100.70(17) . . . . ?
B3 B9 B10 B8 -138.19(16) . . . . ?
B7 C12 B1 C13 -101.43(15) . . . . ?
B7 C12 B1 B2 36.35(14) . . . . ?
B7 C12 B1 B4 -65.83(17) . . . . ?
B7 C12 B1 B3 -3.43(18) . . . . ?
B7 C12 B2 B1 -142.07(15) . . . . ?
B7 C12 B2 B3 -102.38(16) . . . . ?
B7 C12 B2 B10 -39.60(14) . . . . ?
B7 C12 B6 C13 138.01(15) . . . . ?
B7 C12 B6 B5 102.24(16) . . . . ?
B7 C12 B6 B8 39.54(14) . . . . ?
B7 B2 B3 B1 -101.54(16) . . . . ?
B7 B2 B3 B4 -63.39(19) . . . . ?
B7 B2 B3 B9 -0.38(19) . . . . ?
B7 B2 B3 B10 37.30(15) . . . . ?
B7 B2 B10 B3 -138.41(16) . . . . ?
B7 B2 B10 B9 -100.67(18) . . . . ?
B7 B2 B10 B8 -37.47(15) . . . . ?
B7 B6 B8 B5 137.44(17) . . . . ?
B7 B6 B8 B9 100.44(17) . . . . ?
B7 B6 B8 B10 37.12(15) . . . . ?
B7 B8 B10 B2 37.39(15) . . . . ?
B7 B8 B10 B3 100.58(17) . . . . ?
B7 B8 B10 B9 137.97(17) . . . . ?
B9 B4 B5 C13 -135.05(15) . . . . ?
B9 B4 B5 B6 -100.66(16) . . . . ?
B9 B4 B5 B8 -37.55(14) . . . . ?
B9 B4 B3 B1 138.36(16) . . . . ?
B9 B4 B3 B2 100.25(18) . . . . ?
B9 B4 B3 B10 36.96(15) . . . . ?
B9 B5 B6 C13 -97.78(16) . . . . ?
B9 B5 B6 C12 -61.92(18) . . . . ?
B9 B5 B6 B7 -0.7(2) . . . . ?
B9 B5 B6 B8 37.51(15) . . . . ?
B9 B5 B8 B6 -138.31(16) . . . . ?
B9 B5 B8 B7 -100.13(18) . . . . ?
B9 B5 B8 B10 -37.14(15) . . . . ?
B9 B3 B10 B2 137.69(16) . . . . ?
B9 B3 B10 B7 100.66(17) . . . . ?
B9 B3 B10 B8 37.33(14) . . . . ?
B9 B8 B10 B2 -100.58(17) . . . . ?
B9 B8 B10 B3 -37.38(14) . . . . ?
B9 B8 B10 B7 -137.97(17) . . . . ?
B8 B5 B6 C13 -135.29(16) . . . . ?
B8 B5 B6 C12 -99.43(16) . . . . ?
B8 B5 B6 B7 -38.19(15) . . . . ?
B8 B5 B9 B4 138.42(15) . . . . ?
B8 B5 B9 B3 100.94(17) . . . . ?
B8 B5 B9 B10 37.41(15) . . . . ?
B8 B6 B7 C12 -135.08(17) . . . . ?
B8 B6 B7 B2 -101.04(17) . . . . ?
B8 B6 B7 B10 -37.39(16) . . . . ?
B8 B7 B10 B2 -137.94(16) . . . . ?
B8 B7 B10 B3 -100.86(16) . . . . ?
B8 B7 B10 B9 -37.47(16) . . . . ?
B8 B9 B10 B2 100.54(17) . . . . ?
B8 B9 B10 B3 138.19(16) . . . . ?
B8 B9 B10 B7 37.49(15) . . . . ?
B10 B2 B3 B1 -138.84(16) . . . . ?
B10 B2 B3 B4 -100.68(18) . . . . ?
B10 B2 B3 B9 -37.67(14) . . . . ?
B10 B2 B7 C12 134.80(15) . . . . ?
B10 B2 B7 B6 100.66(16) . . . . ?
B10 B2 B7 B8 37.86(15) . . . . ?
B10 B3 B9 B4 -138.62(16) . . . . ?
B10 B3 B9 B5 -101.02(17) . . . . ?
B10 B3 B9 B8 -37.49(15) . . . . ?
B10 B7 B8 B5 100.20(18) . . . . ?
B10 B7 B8 B6 138.34(17) . . . . ?
B10 B7 B8 B9 37.42(15) . . . . ?
B10 B9 B8 B5 -138.30(16) . . . . ?
B10 B9 B8 B6 -100.96(16) . . . . ?
B10 B9 B8 B7 -37.31(15) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
