# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_EtOAc_BoCb3
_database_code_depnum_ccdc_archive 'CCDC 2259756'
loop_
_audit_author_name
_audit_author_address
'Sanjay Dutta'
;Department of Chemistry and Biochemistry, Baylor University, Waco Texas
United States of America
;
_audit_update_record             
;
2023-04-28 deposited with the CCDC.	2023-06-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        'Triscarborane_ethaylacetate adduct'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C10 H41 B31 O2'
_chemical_formula_weight         528.54

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'
O O 0.0106 0.0060 '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'

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

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

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

_cell_length_a                   10.5389(9)
_cell_length_b                   12.0167(10)
_cell_length_c                   13.0713(9)
_cell_angle_alpha                67.038(3)
_cell_angle_beta                 81.962(3)
_cell_angle_gamma                87.400(3)
_cell_volume                     1509.2(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9793
_cell_measurement_theta_min      2.42
_cell_measurement_theta_max      34.23

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.163
_exptl_crystal_F_000             544
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.123
_exptl_crystal_size_min          0.088
_exptl_absorpt_coefficient_mu    0.054
_shelx_estimated_absorpt_T_min   0.983
_shelx_estimated_absorpt_T_max   0.995
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.928
_exptl_absorpt_correction_T_max  0.939
_exptl_absorpt_process_details   SADabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            57911
_diffrn_reflns_av_unetI/netI     0.0236
_diffrn_reflns_av_R_equivalents  0.0392
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.914
_diffrn_reflns_theta_max         29.575
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             8438
_reflns_number_gt                7550
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 ? 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0527P)²+0.3721P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     'DIRECT METHODS'
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8438
_refine_ls_number_parameters     510
_refine_ls_number_restraints     10
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0417
_refine_ls_wR_factor_ref         0.1102
_refine_ls_wR_factor_gt          0.1067
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_restrained_S_all      1.099
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.218(3) 0.223(3) 0.4078(17) 0.0143(3) Uani 0.126(3) 1 d D . P A 1
C7 C 0.1660(15) 0.1828(19) 0.5082(14) 0.0141(3) Uani 0.126(3) 1 d D . P A 1
C8 C 0.049(2) 0.121(3) 0.549(3) 0.0256(3) Uani 0.126(3) 1 d D . P A 1
H8A H 0.0400 0.0668 0.5105 0.038 Uiso 0.126(3) 1 calc R U P A 1
H8B H -0.0214 0.1790 0.5361 0.038 Uiso 0.126(3) 1 calc R U P A 1
H8C H 0.0455 0.0732 0.6299 0.038 Uiso 0.126(3) 1 calc R U P A 1
O2 O 0.2384(15) 0.2279(15) 0.5592(12) 0.0226(3) Uani 0.126(3) 1 d D . P A 1
C9 C 0.2033(16) 0.1991(14) 0.6807(11) 0.0348(4) Uani 0.126(3) 1 d D . P A 1
H9A H 0.2276 0.2673 0.6988 0.042 Uiso 0.126(3) 1 calc R U P A 1
H9B H 0.1096 0.1859 0.7014 0.042 Uiso 0.126(3) 1 calc R U P A 1
C10 C 0.2710(12) 0.0893(12) 0.7442(8) 0.0497(5) Uani 0.126(3) 1 d D . P A 1
H10A H 0.2512 0.0236 0.7221 0.075 Uiso 0.126(3) 1 calc R U P A 1
H10B H 0.2433 0.0660 0.8246 0.075 Uiso 0.126(3) 1 calc R U P A 1
H10C H 0.3635 0.1051 0.7282 0.075 Uiso 0.126(3) 1 calc R U P A 1
O1A O 0.2274(4) 0.2260(4) 0.3949(2) 0.0143(3) Uani 0.874(3) 1 d D . P A 2
C7A C 0.18990(16) 0.1926(2) 0.49836(16) 0.0141(3) Uani 0.874(3) 1 d D . P A 2
C8A C 0.0644(3) 0.1283(4) 0.5430(4) 0.0256(3) Uani 0.874(3) 1 d D . P A 2
H8A1 H 0.0224 0.1281 0.4807 0.038 Uiso 0.874(3) 1 calc R U P A 2
H8A2 H 0.0098 0.1695 0.5842 0.038 Uiso 0.874(3) 1 calc R U P A 2
H8A3 H 0.0781 0.0448 0.5936 0.038 Uiso 0.874(3) 1 calc R U P A 2
O2A O 0.25819(16) 0.21031(18) 0.56390(15) 0.0226(3) Uani 0.874(3) 1 d D . P A 2
C9A C 0.22210(19) 0.16243(17) 0.68684(13) 0.0348(4) Uani 0.874(3) 1 d D . P A 2
H9A1 H 0.2095 0.0737 0.7173 0.042 Uiso 0.874(3) 1 calc R U P A 2
H9A2 H 0.1419 0.1998 0.7068 0.042 Uiso 0.874(3) 1 calc R U P A 2
C10A C 0.33057(17) 0.19452(19) 0.73145(12) 0.0497(5) Uani 0.874(3) 1 d D . P A
2
H10D H 0.4101 0.1621 0.7059 0.075 Uiso 0.874(3) 1 calc R U P A 2
H10E H 0.3153 0.1601 0.8136 0.075 Uiso 0.874(3) 1 calc R U P A 2
H10F H 0.3379 0.2827 0.7044 0.075 Uiso 0.874(3) 1 calc R U P A 2
B1 B 0.31795(9) 0.30506(8) 0.29156(8) 0.01311(17) Uani 1 1 d . . . . .
B2 B 0.51727(10) 0.18003(9) 0.44511(8) 0.01743(19) Uani 1 1 d . . . . .
B3 B 0.62912(10) 0.24985(10) 0.49277(9) 0.0205(2) Uani 1 1 d . . . . .
B4 B 0.65150(11) 0.40220(10) 0.39574(9) 0.0215(2) Uani 1 1 d . . . . .
B5 B 0.49756(10) 0.33209(9) 0.43159(9) 0.01785(19) Uani 1 1 d . . . . .
B7 B 0.71842(10) 0.40239(10) 0.26282(9) 0.0214(2) Uani 1 1 d . . . . .
B8 B 0.73902(10) 0.25074(10) 0.27621(9) 0.0215(2) Uani 1 1 d . . . . .
B9 B 0.58582(10) 0.18017(9) 0.31422(9) 0.01819(19) Uani 1 1 d . . . . .
B10 B 0.60417(10) 0.33265(10) 0.21705(9) 0.01802(19) Uani 1 1 d . . . . .
B11 B 0.68473(10) 0.15703(10) 0.41846(9) 0.0205(2) Uani 1 1 d . . . . .
B12 B 0.76698(11) 0.29353(11) 0.38820(10) 0.0231(2) Uani 1 1 d . . . . .
B13 B 0.15002(10) 0.48056(9) 0.36011(9) 0.01758(19) Uani 1 1 d . . . . .
B14 B 0.22281(11) 0.22628(10) 0.00226(9) 0.0197(2) Uani 1 1 d . . . . .
B15 B 0.25350(11) 0.06709(10) 0.05730(9) 0.0210(2) Uani 1 1 d . . . . .
B16 B 0.38044(11) 0.17373(10) 0.01925(9) 0.0186(2) Uani 1 1 d . . . . .
B17 B 0.37522(11) 0.04134(9) 0.14471(9) 0.0195(2) Uani 1 1 d . . . . .
B18 B 0.31472(11) 0.08282(9) 0.25916(9) 0.01805(19) Uani 1 1 d . . . . .
B19 B 0.15708(10) 0.13542(9) 0.24129(9) 0.0188(2) Uani 1 1 d . . . . .
B20 B 0.16224(10) 0.26581(9) 0.11679(9) 0.01767(19) Uani 1 1 d . . . . .
B21 B 0.11847(11) 0.12511(10) 0.11743(10) 0.0215(2) Uani 1 1 d . . . . .
B22 B 0.21313(11) 0.01159(10) 0.20642(9) 0.0216(2) Uani 1 1 d . . . . .
B23 B 0.29646(10) 0.56072(9) 0.30245(9) 0.01727(19) Uani 1 1 d . . . . .
B24 B 0.32938(10) 0.57684(9) 0.16036(9) 0.01682(19) Uani 1 1 d . . . . .
B25 B 0.20707(11) 0.66892(9) 0.08773(9) 0.0204(2) Uani 1 1 d . . . . .
B26 B 0.09837(11) 0.70738(10) 0.18465(10) 0.0210(2) Uani 1 1 d . . . . .
B27 B 0.15397(11) 0.63999(9) 0.31744(9) 0.0197(2) Uani 1 1 d . . . . .
B28 B 0.26690(11) 0.70011(9) 0.19380(9) 0.0198(2) Uani 1 1 d . . . . .
B29 B 0.02625(10) 0.57006(10) 0.28828(9) 0.0203(2) Uani 1 1 d . . . . .
B30 B 0.09074(10) 0.44849(9) 0.25498(9) 0.01717(19) Uani 1 1 d . . . . .
B31 B 0.05945(11) 0.58809(10) 0.14569(10) 0.0206(2) Uani 1 1 d . . . . .
B32 B 0.32452(10) 0.29685(9) 0.05729(8) 0.01636(18) Uani 1 1 d . . . . .
C1 C 0.47219(8) 0.28958(8) 0.32249(7) 0.01471(16) Uani 1 1 d . . . . .
C2 C 0.55870(9) 0.41386(8) 0.29610(8) 0.01738(17) Uani 1 1 d . . . . .
C3 C 0.28555(8) 0.23721(8) 0.20282(7) 0.01401(16) Uani 1 1 d . . . . .
C4 C 0.40482(9) 0.18020(8) 0.14161(7) 0.01571(17) Uani 1 1 d . . . . .
C5 C 0.25485(8) 0.44583(8) 0.26145(7) 0.01380(16) Uani 1 1 d . . . . .
C6 C 0.19979(9) 0.51588(8) 0.13889(7) 0.01620(17) Uani 1 1 d . . . . .
H000 H 0.3705(12) 0.3826(11) 0.0201(10) 0.019 Uiso 1 1 d . U . . .
H2 H 0.2465(12) 0.0112(11) 0.0096(10) 0.019 Uiso 1 1 d . U . . .
H8 H 0.1935(12) 0.2745(11) -0.0777(10) 0.019 Uiso 1 1 d . U . . .
H9 H 0.3541(12) 0.0473(11) 0.3360(10) 0.019 Uiso 1 1 d . U . . .
H10 H 0.0869(12) 0.1269(11) 0.3150(10) 0.019 Uiso 1 1 d . U . . .
H11 H 0.0952(12) 0.3369(11) 0.1109(10) 0.019 Uiso 1 1 d . U . . .
H12 H 0.0220(12) 0.1100(11) 0.1119(10) 0.019 Uiso 1 1 d . U . . .
H13 H 0.1825(12) -0.0817(11) 0.2581(10) 0.019 Uiso 1 1 d . U . . .
H14 H 0.4533(12) -0.0179(11) 0.1544(10) 0.019 Uiso 1 1 d . U . . .
H15 H 0.4599(12) 0.1918(11) -0.0465(10) 0.019 Uiso 1 1 d . U . . .
H16 H 0.3718(12) 0.5473(11) 0.3523(10) 0.019 Uiso 1 1 d . U . . .
H17 H 0.1347(12) 0.4156(11) 0.4453(10) 0.019 Uiso 1 1 d . U . . .
H18 H 0.1398(12) 0.6784(11) 0.3839(10) 0.019 Uiso 1 1 d . U . . .
H19 H 0.3275(12) 0.7783(11) 0.1749(10) 0.019 Uiso 1 1 d . U . . .
H20 H -0.0701(12) 0.5630(11) 0.3290(10) 0.019 Uiso 1 1 d . U . . .
H21 H 0.0463(12) 0.3651(11) 0.2684(10) 0.019 Uiso 1 1 d . U . . .
H22 H -0.0063(12) 0.5858(11) 0.0905(10) 0.019 Uiso 1 1 d . U . . .
H23 H 0.0475(12) 0.7944(11) 0.1566(10) 0.019 Uiso 1 1 d . U . . .
H24 H 0.2310(12) 0.7167(11) -0.0024(10) 0.019 Uiso 1 1 d . U . . .
H25 H 0.4196(12) 0.5672(11) 0.1165(10) 0.019 Uiso 1 1 d . U . . .
H26 H 0.2166(12) 0.4768(11) 0.0877(10) 0.019 Uiso 1 1 d . U . . .
H27 H 0.4881(12) 0.2001(11) 0.1477(10) 0.019 Uiso 1 1 d . U . . .
H28 H 0.5219(12) 0.4899(11) 0.2570(10) 0.019 Uiso 1 1 d . U . . .
H29 H 0.5614(12) 0.1096(11) 0.2898(10) 0.019 Uiso 1 1 d . U . . .
H30 H 0.5839(12) 0.3659(11) 0.1330(10) 0.019 Uiso 1 1 d . U . . .
H31 H 0.7263(12) 0.0681(11) 0.4590(10) 0.019 Uiso 1 1 d . U . . .
H32 H 0.8621(12) 0.2961(11) 0.4122(10) 0.019 Uiso 1 1 d . U . . .
H33 H 0.8149(12) 0.2249(11) 0.2249(10) 0.019 Uiso 1 1 d . U . . .
H34 H 0.7672(12) 0.4788(11) 0.1996(10) 0.019 Uiso 1 1 d . U . . .
H35 H 0.4183(12) 0.3697(11) 0.4674(10) 0.019 Uiso 1 1 d . U . . .
H36 H 0.6609(12) 0.4828(11) 0.4142(10) 0.019 Uiso 1 1 d . U . . .
H37 H 0.6293(12) 0.2252(11) 0.5815(10) 0.019 Uiso 1 1 d . U . . .
H38 H 0.4462(12) 0.1132(11) 0.4977(10) 0.019 Uiso 1 1 d . 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
O1 C7 1.258(15) . ?
O1 B1 1.70(2) . ?
C7 O2 1.335(15) . ?
C7 C8 1.398(15) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
O2 C9 1.483(14) . ?
C9 C10 1.471(14) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
O1A C7A 1.260(2) . ?
O1A B1 1.536(3) . ?
C7A O2A 1.275(2) . ?
C7A C8A 1.488(2) . ?
C8A H8A1 0.9800 . ?
C8A H8A2 0.9800 . ?
C8A H8A3 0.9800 . ?
O2A C9A 1.478(2) . ?
C9A C10A 1.482(3) . ?
C9A H9A1 0.9900 . ?
C9A H9A2 0.9900 . ?
C10A H10D 0.9800 . ?
C10A H10E 0.9800 . ?
C10A H10F 0.9800 . ?
B1 C5 1.7060(13) . ?
B1 C1 1.7141(13) . ?
B1 C3 1.7323(13) . ?
B2 C1 1.7428(13) . ?
B2 B9 1.7612(15) . ?
B2 B5 1.7712(15) . ?
B2 B11 1.7809(15) . ?
B2 B3 1.7845(15) . ?
B2 H38 1.076(12) . ?
B3 B5 1.7629(15) . ?
B3 B11 1.7771(16) . ?
B3 B4 1.7776(16) . ?
B3 B12 1.7914(16) . ?
B3 H37 1.080(12) . ?
B4 C2 1.6953(14) . ?
B4 B12 1.7660(17) . ?
B4 B5 1.7790(15) . ?
B4 B7 1.7805(16) . ?
B4 H36 1.097(12) . ?
B5 C2 1.7023(14) . ?
B5 C1 1.7474(14) . ?
B5 H35 1.069(12) . ?
B7 C2 1.6918(14) . ?
B7 B8 1.7676(17) . ?
B7 B12 1.7776(16) . ?
B7 B10 1.7872(16) . ?
B7 H34 1.059(12) . ?
B8 B9 1.7732(16) . ?
B8 B10 1.7813(15) . ?
B8 B11 1.7833(16) . ?
B8 B12 1.7932(17) . ?
B8 H33 1.084(12) . ?
B9 B11 1.7595(15) . ?
B9 C1 1.7625(13) . ?
B9 B10 1.7764(15) . ?
B9 H29 1.068(12) . ?
B10 C2 1.6898(14) . ?
B10 C1 1.7535(14) . ?
B10 H30 1.062(12) . ?
B11 B12 1.7679(17) . ?
B11 H31 1.094(12) . ?
B12 H32 1.097(12) . ?
B13 C5 1.7429(13) . ?
B13 B30 1.7614(15) . ?
B13 B23 1.7666(15) . ?
B13 B27 1.7748(15) . ?
B13 B29 1.7797(15) . ?
B13 H17 1.076(12) . ?
B14 B16 1.7625(16) . ?
B14 B20 1.7705(15) . ?
B14 B32 1.7776(15) . ?
B14 B21 1.7843(16) . ?
B14 B15 1.7936(16) . ?
B14 H8 1.061(12) . ?
B15 B17 1.7734(16) . ?
B15 B16 1.7752(16) . ?
B15 B21 1.7759(16) . ?
B15 B22 1.7902(16) . ?
B15 H2 1.091(12) . ?
B16 C4 1.6864(14) . ?
B16 B17 1.7805(15) . ?
B16 B32 1.7879(14) . ?
B16 H15 1.075(12) . ?
B17 C4 1.6954(14) . ?
B17 B22 1.7725(16) . ?
B17 B18 1.7830(15) . ?
B17 H14 1.051(12) . ?
B18 C4 1.7093(14) . ?
B18 C3 1.7391(13) . ?
B18 B22 1.7619(16) . ?
B18 B19 1.7641(16) . ?
B18 H9 1.062(12) . ?
B19 C3 1.7499(13) . ?
B19 B20 1.7606(15) . ?
B19 B22 1.7735(15) . ?
B19 B21 1.7741(15) . ?
B19 H10 1.104(12) . ?
B20 B32 1.7688(15) . ?
B20 B21 1.7692(15) . ?
B20 C3 1.7715(14) . ?
B20 H11 1.070(12) . ?
B21 B22 1.7811(17) . ?
B21 H12 1.058(12) . ?
B22 H13 1.095(12) . ?
B23 C5 1.7559(13) . ?
B23 B27 1.7704(15) . ?
B23 B28 1.7719(15) . ?
B23 B24 1.7756(15) . ?
B23 H16 1.064(12) . ?
B24 C6 1.6849(14) . ?
B24 C5 1.7436(13) . ?
B24 B28 1.7763(15) . ?
B24 B25 1.7834(15) . ?
B24 H25 1.065(12) . ?
B25 C6 1.6953(14) . ?
B25 B28 1.7697(16) . ?
B25 B26 1.7703(15) . ?
B25 B31 1.7808(16) . ?
B25 H24 1.088(12) . ?
B26 B27 1.7766(16) . ?
B26 B31 1.7788(16) . ?
B26 B28 1.7926(16) . ?
B26 B29 1.7938(16) . ?
B26 H23 1.105(12) . ?
B27 B29 1.7774(16) . ?
B27 B28 1.7830(16) . ?
B27 H18 1.123(12) . ?
B28 H19 1.087(12) . ?
B29 B30 1.7632(15) . ?
B29 B31 1.7755(16) . ?
B29 H20 1.070(12) . ?
B30 C6 1.7080(14) . ?
B30 C5 1.7417(13) . ?
B30 B31 1.7819(15) . ?
B30 H21 1.066(12) . ?
B31 C6 1.6898(14) . ?
B31 H22 1.077(12) . ?
B32 C4 1.6863(13) . ?
B32 C3 1.7451(13) . ?
B32 H000 1.059(12) . ?
C1 C2 1.6775(12) . ?
C2 H28 0.951(12) . ?
C3 C4 1.6606(12) . ?
C4 H27 0.942(13) . ?
C5 C6 1.6659(12) . ?
C6 H26 0.951(12) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C7 O1 B1 159(2) . . ?
O1 C7 O2 104.1(17) . . ?
O1 C7 C8 126(2) . . ?
O2 C7 C8 129.3(18) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 O2 C9 118.6(15) . . ?
C10 C9 O2 108.9(11) . . ?
C10 C9 H9A 109.9 . . ?
O2 C9 H9A 109.9 . . ?
C10 C9 H9B 109.9 . . ?
O2 C9 H9B 109.9 . . ?
H9A C9 H9B 108.3 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C7A O1A B1 148.7(3) . . ?
O1A C7A O2A 121.4(2) . . ?
O1A C7A C8A 118.0(3) . . ?
O2A C7A C8A 120.5(2) . . ?
C7A C8A H8A1 109.5 . . ?
C7A C8A H8A2 109.5 . . ?
H8A1 C8A H8A2 109.5 . . ?
C7A C8A H8A3 109.5 . . ?
H8A1 C8A H8A3 109.5 . . ?
H8A2 C8A H8A3 109.5 . . ?
C7A O2A C9A 122.59(19) . . ?
O2A C9A C10A 105.37(16) . . ?
O2A C9A H9A1 110.7 . . ?
C10A C9A H9A1 110.7 . . ?
O2A C9A H9A2 110.7 . . ?
C10A C9A H9A2 110.7 . . ?
H9A1 C9A H9A2 108.8 . . ?
C9A C10A H10D 109.5 . . ?
C9A C10A H10E 109.5 . . ?
H10D C10A H10E 109.5 . . ?
C9A C10A H10F 109.5 . . ?
H10D C10A H10F 109.5 . . ?
H10E C10A H10F 109.5 . . ?
O1A B1 C5 102.89(19) . . ?
O1 B1 C5 100.9(13) . . ?
O1A B1 C1 109.63(18) . . ?
O1 B1 C1 109.3(12) . . ?
C5 B1 C1 115.44(7) . . ?
O1A B1 C3 97.06(16) . . ?
O1 B1 C3 99.4(10) . . ?
C5 B1 C3 114.19(7) . . ?
C1 B1 C3 115.05(7) . . ?
C1 B2 B9 60.39(6) . . ?
C1 B2 B5 59.63(5) . . ?
B9 B2 B5 108.17(7) . . ?
C1 B2 B11 107.07(7) . . ?
B9 B2 B11 59.57(6) . . ?
B5 B2 B11 107.03(7) . . ?
C1 B2 B3 107.05(7) . . ?
B9 B2 B3 107.86(7) . . ?
B5 B2 B3 59.44(6) . . ?
B11 B2 B3 59.79(6) . . ?
C1 B2 H38 117.0(7) . . ?
B9 B2 H38 120.4(6) . . ?
B5 B2 H38 119.7(6) . . ?
B11 B2 H38 127.0(6) . . ?
B3 B2 H38 125.8(6) . . ?
B5 B3 B11 107.57(7) . . ?
B5 B3 B4 60.33(6) . . ?
B11 B3 B4 106.80(8) . . ?
B5 B3 B2 59.90(6) . . ?
B11 B3 B2 60.00(6) . . ?
B4 B3 B2 107.85(7) . . ?
B5 B3 B12 107.67(8) . . ?
B11 B3 B12 59.39(6) . . ?
B4 B3 B12 59.31(6) . . ?
B2 B3 B12 107.60(8) . . ?
B5 B3 H37 117.9(6) . . ?
B11 B3 H37 125.0(6) . . ?
B4 B3 H37 121.5(6) . . ?
B2 B3 H37 119.9(7) . . ?
B12 B3 H37 125.6(7) . . ?
C2 B4 B12 104.10(8) . . ?
C2 B4 B3 104.00(7) . . ?
B12 B4 B3 60.73(6) . . ?
C2 B4 B5 58.62(6) . . ?
B12 B4 B5 108.09(8) . . ?
B3 B4 B5 59.43(6) . . ?
C2 B4 B7 58.19(6) . . ?
B12 B4 B7 60.16(6) . . ?
B3 B4 B7 108.58(8) . . ?
B5 B4 B7 107.94(7) . . ?
C2 B4 H36 117.1(6) . . ?
B12 B4 H36 129.8(7) . . ?
B3 B4 H36 127.7(6) . . ?
B5 B4 H36 117.1(7) . . ?
B7 B4 H36 119.8(6) . . ?
C2 B5 C1 58.18(5) . . ?
C2 B5 B3 104.34(7) . . ?
C1 B5 B3 107.81(7) . . ?
C2 B5 B2 103.90(7) . . ?
C1 B5 B2 59.38(5) . . ?
B3 B5 B2 60.65(6) . . ?
C2 B5 B4 58.23(6) . . ?
C1 B5 B4 107.31(7) . . ?
B3 B5 B4 60.25(6) . . ?
B2 B5 B4 108.37(7) . . ?
C2 B5 H35 117.2(7) . . ?
C1 B5 H35 117.3(7) . . ?
B3 B5 H35 129.8(7) . . ?
B2 B5 H35 127.5(7) . . ?
B4 B5 H35 120.4(7) . . ?
C2 B7 B8 104.09(7) . . ?
C2 B7 B12 103.74(7) . . ?
B8 B7 B12 60.77(7) . . ?
C2 B7 B4 58.38(6) . . ?
B8 B7 B4 108.27(8) . . ?
B12 B7 B4 59.51(6) . . ?
C2 B7 B10 58.04(6) . . ?
B8 B7 B10 60.14(6) . . ?
B12 B7 B10 108.30(8) . . ?
B4 B7 B10 107.61(7) . . ?
C2 B7 H34 117.5(7) . . ?
B8 B7 H34 126.1(7) . . ?
B12 B7 H34 130.9(7) . . ?
B4 B7 H34 122.0(7) . . ?
B10 B7 H34 115.4(7) . . ?
B7 B8 B9 108.05(7) . . ?
B7 B8 B10 60.48(6) . . ?
B9 B8 B10 59.97(6) . . ?
B7 B8 B11 107.22(8) . . ?
B9 B8 B11 59.30(6) . . ?
B10 B8 B11 107.21(7) . . ?
B7 B8 B12 59.89(6) . . ?
B9 B8 B12 106.97(8) . . ?
B10 B8 B12 107.87(8) . . ?
B11 B8 B12 59.25(6) . . ?
B7 B8 H33 121.7(7) . . ?
B9 B8 H33 121.4(7) . . ?
B10 B8 H33 120.7(6) . . ?
B11 B8 H33 123.1(6) . . ?
B12 B8 H33 123.3(6) . . ?
B11 B9 B2 60.78(6) . . ?
B11 B9 C1 107.15(7) . . ?
B2 B9 C1 59.29(5) . . ?
B11 B9 B8 60.63(6) . . ?
B2 B9 B8 109.51(8) . . ?
C1 B9 B8 107.38(7) . . ?
B11 B9 B10 108.48(8) . . ?
B2 B9 B10 108.21(7) . . ?
C1 B9 B10 59.40(5) . . ?
B8 B9 B10 60.24(6) . . ?
B11 B9 H29 122.7(7) . . ?
B2 B9 H29 119.5(7) . . ?
C1 B9 H29 120.7(7) . . ?
B8 B9 H29 123.4(7) . . ?
B10 B9 H29 121.8(7) . . ?
C2 B10 C1 58.28(5) . . ?
C2 B10 B9 103.88(7) . . ?
C1 B10 B9 59.90(5) . . ?
C2 B10 B8 103.59(7) . . ?
C1 B10 B8 107.41(7) . . ?
B9 B10 B8 59.79(6) . . ?
C2 B10 B7 58.15(6) . . ?
C1 B10 B7 107.06(7) . . ?
B9 B10 B7 107.05(7) . . ?
B8 B10 B7 59.38(6) . . ?
C2 B10 H30 119.2(7) . . ?
C1 B10 H30 116.6(7) . . ?
B9 B10 H30 125.6(7) . . ?
B8 B10 H30 129.8(7) . . ?
B7 B10 H30 123.0(7) . . ?
B9 B11 B12 108.70(8) . . ?
B9 B11 B3 108.26(7) . . ?
B12 B11 B3 60.71(7) . . ?
B9 B11 B2 59.66(6) . . ?
B12 B11 B2 108.80(8) . . ?
B3 B11 B2 60.20(6) . . ?
B9 B11 B8 60.06(6) . . ?
B12 B11 B8 60.66(6) . . ?
B3 B11 B8 109.13(8) . . ?
B2 B11 B8 108.16(7) . . ?
B9 B11 H31 119.8(6) . . ?
B12 B11 H31 122.8(6) . . ?
B3 B11 H31 122.4(6) . . ?
B2 B11 H31 120.6(7) . . ?
B8 B11 H31 121.1(6) . . ?
B4 B12 B11 107.71(8) . . ?
B4 B12 B7 60.32(6) . . ?
B11 B12 B7 107.46(8) . . ?
B4 B12 B3 59.95(6) . . ?
B11 B12 B3 59.90(6) . . ?
B7 B12 B3 108.09(8) . . ?
B4 B12 B8 107.77(8) . . ?
B11 B12 B8 60.10(6) . . ?
B7 B12 B8 59.34(6) . . ?
B3 B12 B8 108.05(8) . . ?
B4 B12 H32 120.0(6) . . ?
B11 B12 H32 122.8(6) . . ?
B7 B12 H32 122.2(6) . . ?
B3 B12 H32 120.2(6) . . ?
B8 B12 H32 123.8(6) . . ?
C5 B13 B30 59.60(5) . . ?
C5 B13 B23 60.04(5) . . ?
B30 B13 B23 108.51(7) . . ?
C5 B13 B27 107.02(7) . . ?
B30 B13 B27 107.79(7) . . ?
B23 B13 B27 59.99(6) . . ?
C5 B13 B29 106.84(7) . . ?
B30 B13 B29 59.72(6) . . ?
B23 B13 B29 108.27(7) . . ?
B27 B13 B29 60.01(6) . . ?
C5 B13 H17 119.1(7) . . ?
B30 B13 H17 118.9(7) . . ?
B23 B13 H17 121.7(7) . . ?
B27 B13 H17 125.8(6) . . ?
B29 B13 H17 123.8(7) . . ?
B16 B14 B20 108.18(7) . . ?
B16 B14 B32 60.66(6) . . ?
B20 B14 B32 59.81(6) . . ?
B16 B14 B21 107.49(8) . . ?
B20 B14 B21 59.69(6) . . ?
B32 B14 B21 107.55(7) . . ?
B16 B14 B15 59.89(6) . . ?
B20 B14 B15 107.52(7) . . ?
B32 B14 B15 108.22(7) . . ?
B21 B14 B15 59.52(6) . . ?
B16 B14 H8 122.5(7) . . ?
B20 B14 H8 120.1(7) . . ?
B32 B14 H8 120.1(7) . . ?
B21 B14 H8 122.5(7) . . ?
B15 B14 H8 123.9(7) . . ?
B17 B15 B16 60.23(6) . . ?
B17 B15 B21 107.61(7) . . ?
B16 B15 B21 107.30(7) . . ?
B17 B15 B22 59.65(6) . . ?
B16 B15 B22 107.59(7) . . ?
B21 B15 B22 59.93(6) . . ?
B17 B15 B14 107.46(7) . . ?
B16 B15 B14 59.19(6) . . ?
B21 B15 B14 59.98(6) . . ?
B22 B15 B14 107.61(7) . . ?
B17 B15 H2 120.6(6) . . ?
B16 B15 H2 120.7(7) . . ?
B21 B15 H2 123.6(6) . . ?
B22 B15 H2 122.6(6) . . ?
B14 B15 H2 122.5(6) . . ?
C4 B16 B14 104.10(7) . . ?
C4 B16 B15 104.18(7) . . ?
B14 B16 B15 60.92(6) . . ?
C4 B16 B17 58.48(6) . . ?
B14 B16 B17 108.52(8) . . ?
B15 B16 B17 59.83(6) . . ?
C4 B16 B32 57.99(5) . . ?
B14 B16 B32 60.09(6) . . ?
B15 B16 B32 108.58(7) . . ?
B17 B16 B32 107.71(7) . . ?
C4 B16 H15 118.7(7) . . ?
B14 B16 H15 125.9(6) . . ?
B15 B16 H15 128.8(7) . . ?
B17 B16 H15 121.2(6) . . ?
B32 B16 H15 117.0(7) . . ?
C4 B17 B22 103.88(7) . . ?
C4 B17 B15 103.89(7) . . ?
B22 B17 B15 60.64(6) . . ?
C4 B17 B16 57.98(6) . . ?
B22 B17 B16 108.14(8) . . ?
B15 B17 B16 59.94(6) . . ?
C4 B17 B18 58.80(6) . . ?
B22 B17 B18 59.41(6) . . ?
B15 B17 B18 108.12(8) . . ?
B16 B17 B18 107.84(7) . . ?
C4 B17 H14 116.3(7) . . ?
B22 B17 H14 129.5(7) . . ?
B15 B17 H14 129.6(7) . . ?
B16 B17 H14 118.5(7) . . ?
B18 B17 H14 118.0(7) . . ?
C4 B18 C3 57.57(5) . . ?
C4 B18 B22 103.75(7) . . ?
C3 B18 B22 107.92(7) . . ?
C4 B18 B19 103.41(7) . . ?
C3 B18 B19 59.93(6) . . ?
B22 B18 B19 60.39(6) . . ?
C4 B18 B17 58.04(6) . . ?
C3 B18 B17 106.86(7) . . ?
B22 B18 B17 60.00(6) . . ?
B19 B18 B17 107.88(8) . . ?
C4 B18 H9 119.2(7) . . ?
C3 B18 H9 117.6(7) . . ?
B22 B18 H9 129.0(7) . . ?
B19 B18 H9 126.3(7) . . ?
B17 B18 H9 121.5(7) . . ?
C3 B19 B20 60.61(6) . . ?
C3 B19 B18 59.33(6) . . ?
B20 B19 B18 108.70(7) . . ?
C3 B19 B22 106.92(7) . . ?
B20 B19 B22 108.51(7) . . ?
B18 B19 B22 59.74(6) . . ?
C3 B19 B21 107.72(7) . . ?
B20 B19 B21 60.07(6) . . ?
B18 B19 B21 108.15(7) . . ?
B22 B19 B21 60.27(6) . . ?
C3 B19 H10 119.3(6) . . ?
B20 B19 H10 120.7(6) . . ?
B18 B19 H10 120.0(6) . . ?
B22 B19 H10 123.9(6) . . ?
B21 B19 H10 124.6(6) . . ?
B19 B20 B32 107.92(7) . . ?
B19 B20 B21 60.34(6) . . ?
B32 B20 B21 108.61(7) . . ?
B19 B20 B14 108.73(7) . . ?
B32 B20 B14 60.30(6) . . ?
B21 B20 B14 60.54(6) . . ?
B19 B20 C3 59.39(6) . . ?
B32 B20 C3 59.06(5) . . ?
B21 B20 C3 106.98(7) . . ?
B14 B20 C3 106.83(7) . . ?
B19 B20 H11 120.2(7) . . ?
B32 B20 H11 121.4(7) . . ?
B21 B20 H11 122.8(7) . . ?
B14 B20 H11 123.5(6) . . ?
C3 B20 H11 121.0(6) . . ?
B20 B21 B19 59.59(6) . . ?
B20 B21 B15 108.37(8) . . ?
B19 B21 B15 108.23(8) . . ?
B20 B21 B22 107.79(7) . . ?
B19 B21 B22 59.85(6) . . ?
B15 B21 B22 60.43(6) . . ?
B20 B21 B14 59.76(6) . . ?
B19 B21 B14 107.51(7) . . ?
B15 B21 B14 60.50(6) . . ?
B22 B21 B14 108.42(8) . . ?
B20 B21 H12 119.0(7) . . ?
B19 B21 H12 119.2(7) . . ?
B15 B21 H12 124.7(7) . . ?
B22 B21 H12 122.6(7) . . ?
B14 B21 H12 122.7(7) . . ?
B18 B22 B17 60.59(6) . . ?
B18 B22 B19 59.87(6) . . ?
B17 B22 B19 107.94(7) . . ?
B18 B22 B21 107.94(7) . . ?
B17 B22 B21 107.43(8) . . ?
B19 B22 B21 59.88(6) . . ?
B18 B22 B15 108.31(8) . . ?
B17 B22 B15 59.70(6) . . ?
B19 B22 B15 107.62(8) . . ?
B21 B22 B15 59.64(6) . . ?
B18 B22 H13 118.2(6) . . ?
B17 B22 H13 119.1(6) . . ?
B19 B22 H13 122.6(6) . . ?
B21 B22 H13 125.7(6) . . ?
B15 B22 H13 123.4(6) . . ?
C5 B23 B13 59.31(5) . . ?
C5 B23 B27 106.65(7) . . ?
B13 B23 B27 60.24(6) . . ?
C5 B23 B28 106.88(7) . . ?
B13 B23 B28 108.76(7) . . ?
B27 B23 B28 60.44(6) . . ?
C5 B23 B24 59.17(5) . . ?
B13 B23 B24 107.79(7) . . ?
B27 B23 B24 108.06(7) . . ?
B28 B23 B24 60.10(6) . . ?
C5 B23 H16 120.1(7) . . ?
B13 B23 H16 120.4(7) . . ?
B27 B23 H16 124.2(7) . . ?
B28 B23 H16 123.9(7) . . ?
B24 B23 H16 120.9(7) . . ?
C6 B24 C5 58.11(5) . . ?
C6 B24 B23 104.17(7) . . ?
C5 B24 B23 59.85(5) . . ?
C6 B24 B28 103.98(7) . . ?
C5 B24 B28 107.23(7) . . ?
B23 B24 B28 59.85(6) . . ?
C6 B24 B25 58.44(6) . . ?
C5 B24 B25 107.05(7) . . ?
B23 B24 B25 107.49(7) . . ?
B28 B24 B25 59.62(6) . . ?
C6 B24 H25 117.5(7) . . ?
C5 B24 H25 117.4(7) . . ?
B23 B24 H25 127.2(7) . . ?
B28 B24 H25 130.1(7) . . ?
B25 B24 H25 121.1(7) . . ?
C6 B25 B28 103.83(7) . . ?
C6 B25 B26 104.08(7) . . ?
B28 B25 B26 60.85(6) . . ?
C6 B25 B31 58.11(6) . . ?
B28 B25 B31 108.46(8) . . ?
B26 B25 B31 60.12(6) . . ?
C6 B25 B24 57.87(6) . . ?
B28 B25 B24 59.99(6) . . ?
B26 B25 B24 108.47(8) . . ?
B31 B25 B24 107.34(7) . . ?
C6 B25 H24 117.6(6) . . ?
B28 B25 H24 126.9(6) . . ?
B26 B25 H24 129.9(6) . . ?
B31 B25 H24 120.9(7) . . ?
B24 B25 H24 116.5(6) . . ?
B25 B26 B27 107.51(7) . . ?
B25 B26 B31 60.23(6) . . ?
B27 B26 B31 107.25(7) . . ?
B25 B26 B28 59.56(6) . . ?
B27 B26 B28 59.94(6) . . ?
B31 B26 B28 107.54(7) . . ?
B25 B26 B29 107.81(7) . . ?
B27 B26 B29 59.71(6) . . ?
B31 B26 B29 59.60(6) . . ?
B28 B26 B29 107.62(7) . . ?
B25 B26 H23 120.2(6) . . ?
B27 B26 H23 123.6(6) . . ?
B31 B26 H23 121.3(6) . . ?
B28 B26 H23 121.7(7) . . ?
B29 B26 H23 123.2(7) . . ?
B23 B27 B13 59.78(6) . . ?
B23 B27 B26 108.46(7) . . ?
B13 B27 B26 108.64(8) . . ?
B23 B27 B29 108.20(7) . . ?
B13 B27 B29 60.13(6) . . ?
B26 B27 B29 60.62(6) . . ?
B23 B27 B28 59.82(6) . . ?
B13 B27 B28 107.90(7) . . ?
B26 B27 B28 60.48(6) . . ?
B29 B27 B28 108.77(8) . . ?
B23 B27 H18 119.1(6) . . ?
B13 B27 H18 118.3(6) . . ?
B26 B27 H18 124.8(6) . . ?
B29 B27 H18 121.7(6) . . ?
B28 B27 H18 123.2(6) . . ?
B25 B28 B23 108.26(7) . . ?
B25 B28 B24 60.39(6) . . ?
B23 B28 B24 60.05(6) . . ?
B25 B28 B27 107.25(8) . . ?
B23 B28 B27 59.74(6) . . ?
B24 B28 B27 107.47(7) . . ?
B25 B28 B26 59.59(6) . . ?
B23 B28 B26 107.68(7) . . ?
B24 B28 B26 107.79(7) . . ?
B27 B28 B26 59.59(6) . . ?
B25 B28 H19 122.2(6) . . ?
B23 B28 H19 120.0(6) . . ?
B24 B28 H19 119.7(6) . . ?
B27 B28 H19 123.2(6) . . ?
B26 B28 H19 124.3(6) . . ?
B30 B29 B31 60.47(6) . . ?
B30 B29 B27 107.60(7) . . ?
B31 B29 B27 107.36(8) . . ?
B30 B29 B13 59.62(6) . . ?
B31 B29 B13 107.75(7) . . ?
B27 B29 B13 59.86(6) . . ?
B30 B29 B26 108.19(7) . . ?
B31 B29 B26 59.78(6) . . ?
B27 B29 B26 59.67(6) . . ?
B13 B29 B26 107.67(7) . . ?
B30 B29 H20 118.8(7) . . ?
B31 B29 H20 121.1(7) . . ?
B27 B29 H20 124.3(7) . . ?
B13 B29 H20 121.0(7) . . ?
B26 B29 H20 124.1(7) . . ?
C6 B30 C5 57.74(5) . . ?
C6 B30 B13 103.80(7) . . ?
C5 B30 B13 59.67(5) . . ?
C6 B30 B29 103.84(7) . . ?
C5 B30 B29 107.62(7) . . ?
B13 B30 B29 60.65(6) . . ?
C6 B30 B31 57.87(6) . . ?
C5 B30 B31 106.64(7) . . ?
B13 B30 B31 108.28(7) . . ?
B29 B30 B31 60.11(6) . . ?
C6 B30 H21 120.0(7) . . ?
C5 B30 H21 116.9(7) . . ?
B13 B30 H21 124.3(7) . . ?
B29 B30 H21 129.0(7) . . ?
B31 B30 H21 123.2(7) . . ?
C6 B31 B29 104.08(7) . . ?
C6 B31 B26 103.94(8) . . ?
B29 B31 B26 60.62(6) . . ?
C6 B31 B25 58.41(6) . . ?
B29 B31 B25 108.15(8) . . ?
B26 B31 B25 59.65(6) . . ?
C6 B31 B30 58.87(6) . . ?
B29 B31 B30 59.42(6) . . ?
B26 B31 B30 108.03(8) . . ?
B25 B31 B30 108.17(7) . . ?
C6 B31 H22 116.3(7) . . ?
B29 B31 H22 128.6(7) . . ?
B26 B31 H22 130.2(7) . . ?
B25 B31 H22 119.4(7) . . ?
B30 B31 H22 117.2(7) . . ?
C4 B32 C3 57.86(5) . . ?
C4 B32 B20 104.17(7) . . ?
C3 B32 B20 60.54(6) . . ?
C4 B32 B14 103.45(7) . . ?
C3 B32 B14 107.67(7) . . ?
B20 B32 B14 59.90(6) . . ?
C4 B32 B16 57.99(6) . . ?
C3 B32 B16 106.63(7) . . ?
B20 B32 B16 107.13(7) . . ?
B14 B32 B16 59.25(6) . . ?
C4 B32 H000 117.9(7) . . ?
C3 B32 H000 117.0(7) . . ?
B20 B32 H000 127.0(7) . . ?
B14 B32 H000 130.3(7) . . ?
B16 B32 H000 121.7(7) . . ?
C2 C1 B1 119.16(7) . . ?
C2 C1 B2 106.20(7) . . ?
B1 C1 B2 123.10(7) . . ?
C2 C1 B5 59.57(5) . . ?
B1 C1 B5 115.04(7) . . ?
B2 C1 B5 60.99(6) . . ?
C2 C1 B10 58.96(6) . . ?
B1 C1 B10 121.73(7) . . ?
B2 C1 B10 110.09(7) . . ?
B5 C1 B10 110.07(7) . . ?
C2 C1 B9 105.00(7) . . ?
B1 C1 B9 128.58(7) . . ?
B2 C1 B9 60.32(6) . . ?
B5 C1 B9 109.19(7) . . ?
B10 C1 B9 60.69(6) . . ?
C1 C2 B10 62.76(6) . . ?
C1 C2 B7 115.36(7) . . ?
B10 C2 B7 63.81(6) . . ?
C1 C2 B4 114.74(7) . . ?
B10 C2 B4 116.54(8) . . ?
B7 C2 B4 63.43(6) . . ?
C1 C2 B5 62.26(6) . . ?
B10 C2 B5 115.52(7) . . ?
B7 C2 B5 116.01(7) . . ?
B4 C2 B5 63.15(6) . . ?
C1 C2 H28 117.3(7) . . ?
B10 C2 H28 114.4(7) . . ?
B7 C2 H28 116.1(8) . . ?
B4 C2 H28 118.8(7) . . ?
B5 C2 H28 119.0(7) . . ?
C4 C3 B1 119.59(7) . . ?
C4 C3 B18 60.32(5) . . ?
B1 C3 B18 111.24(7) . . ?
C4 C3 B32 59.30(5) . . ?
B1 C3 B32 125.62(7) . . ?
B18 C3 B32 110.96(7) . . ?
C4 C3 B19 106.11(7) . . ?
B1 C3 B19 120.41(7) . . ?
B18 C3 B19 60.74(6) . . ?
B32 C3 B19 109.49(7) . . ?
C4 C3 B20 105.14(6) . . ?
B1 C3 B20 130.12(7) . . ?
B18 C3 B20 109.34(7) . . ?
B32 C3 B20 60.39(6) . . ?
B19 C3 B20 59.99(6) . . ?
C3 C4 B32 62.85(5) . . ?
C3 C4 B16 115.66(7) . . ?
B32 C4 B16 64.02(6) . . ?
C3 C4 B17 114.90(7) . . ?
B32 C4 B17 116.88(7) . . ?
B16 C4 B17 63.54(6) . . ?
C3 C4 B18 62.12(6) . . ?
B32 C4 B18 115.43(7) . . ?
B16 C4 B18 116.02(7) . . ?
B17 C4 B18 63.16(6) . . ?
C3 C4 H27 115.8(7) . . ?
B32 C4 H27 114.2(7) . . ?
B16 C4 H27 117.3(7) . . ?
B17 C4 H27 119.5(7) . . ?
B18 C4 H27 118.3(7) . . ?
C6 C5 B1 118.70(7) . . ?
C6 C5 B30 60.11(6) . . ?
B1 C5 B30 112.69(7) . . ?
C6 C5 B13 106.43(7) . . ?
B1 C5 B13 121.73(7) . . ?
B30 C5 B13 60.73(6) . . ?
C6 C5 B24 59.18(5) . . ?
B1 C5 B24 123.45(7) . . ?
B30 C5 B24 110.77(7) . . ?
B13 C5 B24 110.34(7) . . ?
C6 C5 B23 105.85(6) . . ?
B1 C5 B23 129.18(7) . . ?
B30 C5 B23 109.90(7) . . ?
B13 C5 B23 60.65(6) . . ?
B24 C5 B23 60.98(6) . . ?
C5 C6 B24 62.71(6) . . ?
C5 C6 B31 114.74(7) . . ?
B24 C6 B31 116.61(7) . . ?
C5 C6 B25 115.09(7) . . ?
B24 C6 B25 63.68(6) . . ?
B31 C6 B25 63.48(6) . . ?
C5 C6 B30 62.14(6) . . ?
B24 C6 B30 115.43(7) . . ?
B31 C6 B30 63.26(6) . . ?
B25 C6 B30 115.96(7) . . ?
C5 C6 H26 115.5(7) . . ?
B24 C6 H26 115.0(7) . . ?
B31 C6 H26 119.6(7) . . ?
B25 C6 H26 118.6(7) . . ?
B30 C6 H26 117.2(7) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
B1 O1 C7 O2 -8(9) . . . . ?
B1 O1 C7 C8 163(7) . . . . ?
O1 C7 O2 C9 180(2) . . . . ?
C8 C7 O2 C9 8(4) . . . . ?
C7 O2 C9 C10 91(2) . . . . ?
B1 O1A C7A O2A -17.8(10) . . . . ?
B1 O1A C7A C8A 163.9(7) . . . . ?
O1A C7A O2A C9A -174.3(3) . . . . ?
C8A C7A O2A C9A 4.0(4) . . . . ?
C7A O2A C9A C10A 175.6(2) . . . . ?
C7A O1A B1 O1 -35(31) . . . . ?
C7A O1A B1 C5 -74.4(8) . . . . ?
C7A O1A B1 C1 48.9(8) . . . . ?
C7A O1A B1 C3 168.7(8) . . . . ?
C7 O1 B1 O1A 147(39) . . . . ?
C7 O1 B1 C5 -72(9) . . . . ?
C7 O1 B1 C1 50(9) . . . . ?
C7 O1 B1 C3 171(9) . . . . ?
C1 B2 B3 B5 37.33(7) . . . . ?
B9 B2 B3 B5 100.96(8) . . . . ?
B11 B2 B3 B5 137.50(8) . . . . ?
C1 B2 B3 B11 -100.18(8) . . . . ?
B9 B2 B3 B11 -36.54(7) . . . . ?
B5 B2 B3 B11 -137.50(8) . . . . ?
C1 B2 B3 B4 -0.70(10) . . . . ?
B9 B2 B3 B4 62.94(9) . . . . ?
B5 B2 B3 B4 -38.03(7) . . . . ?
B11 B2 B3 B4 99.48(8) . . . . ?
C1 B2 B3 B12 -63.29(9) . . . . ?
B9 B2 B3 B12 0.35(10) . . . . ?
B5 B2 B3 B12 -100.62(8) . . . . ?
B11 B2 B3 B12 36.89(7) . . . . ?
B5 B3 B4 C2 -39.59(7) . . . . ?
B11 B3 B4 C2 61.41(9) . . . . ?
B2 B3 B4 C2 -1.75(10) . . . . ?
B12 B3 B4 C2 98.51(8) . . . . ?
B5 B3 B4 B12 -138.10(8) . . . . ?
B11 B3 B4 B12 -37.10(7) . . . . ?
B2 B3 B4 B12 -100.27(8) . . . . ?
B11 B3 B4 B5 101.00(8) . . . . ?
B2 B3 B4 B5 37.84(7) . . . . ?
B12 B3 B4 B5 138.10(8) . . . . ?
B5 B3 B4 B7 -100.30(8) . . . . ?
B11 B3 B4 B7 0.70(10) . . . . ?
B2 B3 B4 B7 -62.46(9) . . . . ?
B12 B3 B4 B7 37.80(7) . . . . ?
B11 B3 B5 C2 -60.23(9) . . . . ?
B4 B3 B5 C2 39.47(7) . . . . ?
B2 B3 B5 C2 -98.09(7) . . . . ?
B12 B3 B5 C2 2.40(10) . . . . ?
B11 B3 B5 C1 0.46(10) . . . . ?
B4 B3 B5 C1 100.16(8) . . . . ?
B2 B3 B5 C1 -37.40(7) . . . . ?
B12 B3 B5 C1 63.09(9) . . . . ?
B11 B3 B5 B2 37.86(7) . . . . ?
B4 B3 B5 B2 137.55(8) . . . . ?
B12 B3 B5 B2 100.49(8) . . . . ?
B11 B3 B5 B4 -99.70(8) . . . . ?
B2 B3 B5 B4 -137.55(8) . . . . ?
B12 B3 B5 B4 -37.06(7) . . . . ?
C1 B2 B5 C2 -38.95(6) . . . . ?
B9 B2 B5 C2 -1.61(9) . . . . ?
B11 B2 B5 C2 61.20(9) . . . . ?
B3 B2 B5 C2 98.83(8) . . . . ?
B9 B2 B5 C1 37.35(7) . . . . ?
B11 B2 B5 C1 100.15(7) . . . . ?
B3 B2 B5 C1 137.78(7) . . . . ?
C1 B2 B5 B3 -137.78(7) . . . . ?
B9 B2 B5 B3 -100.44(8) . . . . ?
B11 B2 B5 B3 -37.63(7) . . . . ?
C1 B2 B5 B4 -99.66(8) . . . . ?
B9 B2 B5 B4 -62.31(9) . . . . ?
B11 B2 B5 B4 0.49(9) . . . . ?
B3 B2 B5 B4 38.12(7) . . . . ?
B12 B4 B5 C2 -95.79(8) . . . . ?
B3 B4 B5 C2 -133.59(8) . . . . ?
B7 B4 B5 C2 -32.18(7) . . . . ?
C2 B4 B5 C1 32.58(7) . . . . ?
B12 B4 B5 C1 -63.21(9) . . . . ?
B3 B4 B5 C1 -101.00(8) . . . . ?
B7 B4 B5 C1 0.40(10) . . . . ?
C2 B4 B5 B3 133.59(8) . . . . ?
B12 B4 B5 B3 37.79(7) . . . . ?
B7 B4 B5 B3 101.40(9) . . . . ?
C2 B4 B5 B2 95.28(8) . . . . ?
B12 B4 B5 B2 -0.51(10) . . . . ?
B3 B4 B5 B2 -38.31(7) . . . . ?
B7 B4 B5 B2 63.10(9) . . . . ?
B12 B4 B7 C2 133.33(8) . . . . ?
B3 B4 B7 C2 95.27(8) . . . . ?
B5 B4 B7 C2 32.35(7) . . . . ?
C2 B4 B7 B8 -95.61(8) . . . . ?
B12 B4 B7 B8 37.72(7) . . . . ?
B3 B4 B7 B8 -0.34(10) . . . . ?
B5 B4 B7 B8 -63.27(9) . . . . ?
C2 B4 B7 B12 -133.33(8) . . . . ?
B3 B4 B7 B12 -38.06(7) . . . . ?
B5 B4 B7 B12 -100.98(8) . . . . ?
C2 B4 B7 B10 -32.05(7) . . . . ?
B12 B4 B7 B10 101.27(8) . . . . ?
B3 B4 B7 B10 63.22(9) . . . . ?
B5 B4 B7 B10 0.29(10) . . . . ?
C2 B7 B8 B9 1.49(10) . . . . ?
B12 B7 B8 B9 99.55(8) . . . . ?
B4 B7 B8 B9 62.38(9) . . . . ?
B10 B7 B8 B9 -37.86(7) . . . . ?
C2 B7 B8 B10 39.34(7) . . . . ?
B12 B7 B8 B10 137.40(8) . . . . ?
B4 B7 B8 B10 100.24(8) . . . . ?
C2 B7 B8 B11 -61.05(9) . . . . ?
B12 B7 B8 B11 37.01(7) . . . . ?
B4 B7 B8 B11 -0.16(10) . . . . ?
B10 B7 B8 B11 -100.40(8) . . . . ?
C2 B7 B8 B12 -98.06(8) . . . . ?
B4 B7 B8 B12 -37.16(7) . . . . ?
B10 B7 B8 B12 -137.40(8) . . . . ?
C1 B2 B9 B11 136.50(7) . . . . ?
B5 B2 B9 B11 99.48(8) . . . . ?
B3 B2 B9 B11 36.64(7) . . . . ?
B5 B2 B9 C1 -37.01(7) . . . . ?
B11 B2 B9 C1 -136.50(7) . . . . ?
B3 B2 B9 C1 -99.86(8) . . . . ?
C1 B2 B9 B8 99.10(8) . . . . ?
B5 B2 B9 B8 62.08(9) . . . . ?
B11 B2 B9 B8 -37.40(7) . . . . ?
B3 B2 B9 B8 -0.76(10) . . . . ?
C1 B2 B9 B10 35.06(7) . . . . ?
B5 B2 B9 B10 -1.96(10) . . . . ?
B11 B2 B9 B10 -101.44(8) . . . . ?
B3 B2 B9 B10 -64.80(9) . . . . ?
B7 B8 B9 B11 -99.71(8) . . . . ?
B10 B8 B9 B11 -137.79(8) . . . . ?
B12 B8 B9 B11 -36.59(7) . . . . ?
B7 B8 B9 B2 -62.24(9) . . . . ?
B10 B8 B9 B2 -100.32(8) . . . . ?
B11 B8 B9 B2 37.46(7) . . . . ?
B12 B8 B9 B2 0.87(10) . . . . ?
B7 B8 B9 C1 0.57(10) . . . . ?
B10 B8 B9 C1 -37.51(7) . . . . ?
B11 B8 B9 C1 100.28(8) . . . . ?
B12 B8 B9 C1 63.69(9) . . . . ?
B7 B8 B9 B10 38.08(7) . . . . ?
B11 B8 B9 B10 137.79(8) . . . . ?
B12 B8 B9 B10 101.20(8) . . . . ?
B11 B9 B10 C2 -59.70(9) . . . . ?
B2 B9 B10 C2 4.71(9) . . . . ?
C1 B9 B10 C2 39.72(6) . . . . ?
B8 B9 B10 C2 -97.82(8) . . . . ?
B11 B9 B10 C1 -99.42(8) . . . . ?
B2 B9 B10 C1 -35.01(7) . . . . ?
B8 B9 B10 C1 -137.54(8) . . . . ?
B11 B9 B10 B8 38.13(7) . . . . ?
B2 B9 B10 B8 102.53(8) . . . . ?
C1 B9 B10 B8 137.54(8) . . . . ?
B11 B9 B10 B7 0.78(10) . . . . ?
B2 B9 B10 B7 65.19(9) . . . . ?
C1 B9 B10 B7 100.19(8) . . . . ?
B8 B9 B10 B7 -37.35(7) . . . . ?
B7 B8 B10 C2 -39.30(7) . . . . ?
B9 B8 B10 C2 98.33(7) . . . . ?
B11 B8 B10 C2 61.11(9) . . . . ?
B12 B8 B10 C2 -1.33(9) . . . . ?
B7 B8 B10 C1 -99.89(8) . . . . ?
B9 B8 B10 C1 37.74(7) . . . . ?
B11 B8 B10 C1 0.53(10) . . . . ?
B12 B8 B10 C1 -61.92(9) . . . . ?
B7 B8 B10 B9 -137.63(8) . . . . ?
B11 B8 B10 B9 -37.22(7) . . . . ?
B12 B8 B10 B9 -99.66(8) . . . . ?
B9 B8 B10 B7 137.63(8) . . . . ?
B11 B8 B10 B7 100.41(8) . . . . ?
B12 B8 B10 B7 37.97(7) . . . . ?
B8 B7 B10 C2 133.55(8) . . . . ?
B12 B7 B10 C2 95.08(8) . . . . ?
B4 B7 B10 C2 32.19(7) . . . . ?
C2 B7 B10 C1 -33.06(6) . . . . ?
B8 B7 B10 C1 100.49(8) . . . . ?
B12 B7 B10 C1 62.02(9) . . . . ?
B4 B7 B10 C1 -0.87(10) . . . . ?
C2 B7 B10 B9 -96.02(8) . . . . ?
B8 B7 B10 B9 37.53(7) . . . . ?
B12 B7 B10 B9 -0.94(10) . . . . ?
B4 B7 B10 B9 -63.83(9) . . . . ?
C2 B7 B10 B8 -133.55(8) . . . . ?
B12 B7 B10 B8 -38.47(7) . . . . ?
B4 B7 B10 B8 -101.36(8) . . . . ?
B2 B9 B11 B12 -101.31(8) . . . . ?
C1 B9 B11 B12 -63.03(9) . . . . ?
B8 B9 B11 B12 37.63(8) . . . . ?
B10 B9 B11 B12 -0.32(10) . . . . ?
B2 B9 B11 B3 -36.92(7) . . . . ?
C1 B9 B11 B3 1.36(10) . . . . ?
B8 B9 B11 B3 102.02(8) . . . . ?
B10 B9 B11 B3 64.06(9) . . . . ?
C1 B9 B11 B2 38.27(7) . . . . ?
B8 B9 B11 B2 138.93(8) . . . . ?
B10 B9 B11 B2 100.98(8) . . . . ?
B2 B9 B11 B8 -138.93(8) . . . . ?
C1 B9 B11 B8 -100.66(8) . . . . ?
B10 B9 B11 B8 -37.95(7) . . . . ?
B5 B3 B11 B9 -1.13(10) . . . . ?
B4 B3 B11 B9 -64.59(9) . . . . ?
B2 B3 B11 B9 36.68(7) . . . . ?
B12 B3 B11 B9 -101.66(8) . . . . ?
B5 B3 B11 B12 100.52(8) . . . . ?
B4 B3 B11 B12 37.07(7) . . . . ?
B2 B3 B11 B12 138.33(8) . . . . ?
B5 B3 B11 B2 -37.81(7) . . . . ?
B4 B3 B11 B2 -101.27(8) . . . . ?
B12 B3 B11 B2 -138.33(8) . . . . ?
B5 B3 B11 B8 62.65(9) . . . . ?
B4 B3 B11 B8 -0.80(10) . . . . ?
B2 B3 B11 B8 100.46(8) . . . . ?
B12 B3 B11 B8 -37.87(7) . . . . ?
C1 B2 B11 B9 -38.76(7) . . . . ?
B5 B2 B11 B9 -101.43(8) . . . . ?
B3 B2 B11 B9 -138.91(8) . . . . ?
C1 B2 B11 B12 62.38(9) . . . . ?
B9 B2 B11 B12 101.14(8) . . . . ?
B5 B2 B11 B12 -0.29(10) . . . . ?
B3 B2 B11 B12 -37.77(7) . . . . ?
C1 B2 B11 B3 100.15(8) . . . . ?
B9 B2 B11 B3 138.91(8) . . . . ?
B5 B2 B11 B3 37.47(7) . . . . ?
C1 B2 B11 B8 -1.95(10) . . . . ?
B9 B2 B11 B8 36.81(7) . . . . ?
B5 B2 B11 B8 -64.62(9) . . . . ?
B3 B2 B11 B8 -102.10(8) . . . . ?
B7 B8 B11 B9 101.15(8) . . . . ?
B10 B8 B11 B9 37.51(7) . . . . ?
B12 B8 B11 B9 138.44(8) . . . . ?
B7 B8 B11 B12 -37.29(7) . . . . ?
B9 B8 B11 B12 -138.44(8) . . . . ?
B10 B8 B11 B12 -100.93(8) . . . . ?
B7 B8 B11 B3 0.60(10) . . . . ?
B9 B8 B11 B3 -100.55(8) . . . . ?
B10 B8 B11 B3 -63.03(10) . . . . ?
B12 B8 B11 B3 37.89(7) . . . . ?
B7 B8 B11 B2 64.51(9) . . . . ?
B9 B8 B11 B2 -36.63(7) . . . . ?
B10 B8 B11 B2 0.88(10) . . . . ?
B12 B8 B11 B2 101.81(8) . . . . ?
C2 B4 B12 B11 -60.80(9) . . . . ?
B3 B4 B12 B11 37.55(7) . . . . ?
B5 B4 B12 B11 0.33(10) . . . . ?
B7 B4 B12 B11 -100.40(8) . . . . ?
C2 B4 B12 B7 39.60(7) . . . . ?
B3 B4 B12 B7 137.95(8) . . . . ?
B5 B4 B12 B7 100.73(8) . . . . ?
C2 B4 B12 B3 -98.35(8) . . . . ?
B5 B4 B12 B3 -37.22(7) . . . . ?
B7 B4 B12 B3 -137.95(8) . . . . ?
C2 B4 B12 B8 2.63(10) . . . . ?
B3 B4 B12 B8 100.98(8) . . . . ?
B5 B4 B12 B8 63.77(10) . . . . ?
B7 B4 B12 B8 -36.96(7) . . . . ?
B9 B11 B12 B4 63.35(10) . . . . ?
B3 B11 B12 B4 -37.57(7) . . . . ?
B2 B11 B12 B4 -0.02(10) . . . . ?
B8 B11 B12 B4 100.72(8) . . . . ?
B9 B11 B12 B7 -0.26(10) . . . . ?
B3 B11 B12 B7 -101.18(8) . . . . ?
B2 B11 B12 B7 -63.64(10) . . . . ?
B8 B11 B12 B7 37.10(7) . . . . ?
B9 B11 B12 B3 100.92(8) . . . . ?
B2 B11 B12 B3 37.55(7) . . . . ?
B8 B11 B12 B3 138.29(8) . . . . ?
B9 B11 B12 B8 -37.37(7) . . . . ?
B3 B11 B12 B8 -138.29(8) . . . . ?
B2 B11 B12 B8 -100.74(8) . . . . ?
C2 B7 B12 B4 -39.62(7) . . . . ?
B8 B7 B12 B4 -138.27(8) . . . . ?
B10 B7 B12 B4 -100.08(8) . . . . ?
C2 B7 B12 B11 61.20(10) . . . . ?
B8 B7 B12 B11 -37.44(7) . . . . ?
B4 B7 B12 B11 100.82(8) . . . . ?
B10 B7 B12 B11 0.75(10) . . . . ?
C2 B7 B12 B3 -2.03(10) . . . . ?
B8 B7 B12 B3 -100.68(8) . . . . ?
B4 B7 B12 B3 37.59(7) . . . . ?
B10 B7 B12 B3 -62.49(10) . . . . ?
C2 B7 B12 B8 98.64(8) . . . . ?
B4 B7 B12 B8 138.27(8) . . . . ?
B10 B7 B12 B8 38.19(7) . . . . ?
B5 B3 B12 B4 37.51(7) . . . . ?
B11 B3 B12 B4 137.86(8) . . . . ?
B2 B3 B12 B4 100.70(8) . . . . ?
B5 B3 B12 B11 -100.34(8) . . . . ?
B4 B3 B12 B11 -137.86(8) . . . . ?
B2 B3 B12 B11 -37.16(7) . . . . ?
B5 B3 B12 B7 -0.24(11) . . . . ?
B11 B3 B12 B7 100.10(9) . . . . ?
B4 B3 B12 B7 -37.75(8) . . . . ?
B2 B3 B12 B7 62.95(10) . . . . ?
B5 B3 B12 B8 -63.00(10) . . . . ?
B11 B3 B12 B8 37.35(7) . . . . ?
B4 B3 B12 B8 -100.51(8) . . . . ?
B2 B3 B12 B8 0.19(10) . . . . ?
B7 B8 B12 B4 37.40(7) . . . . ?
B9 B8 B12 B4 -64.00(10) . . . . ?
B10 B8 B12 B4 -0.83(10) . . . . ?
B11 B8 B12 B4 -100.61(8) . . . . ?
B7 B8 B12 B11 138.01(8) . . . . ?
B9 B8 B12 B11 36.61(7) . . . . ?
B10 B8 B12 B11 99.78(8) . . . . ?
B9 B8 B12 B7 -101.40(8) . . . . ?
B10 B8 B12 B7 -38.23(7) . . . . ?
B11 B8 B12 B7 -138.01(8) . . . . ?
B7 B8 B12 B3 100.75(8) . . . . ?
B9 B8 B12 B3 -0.65(10) . . . . ?
B10 B8 B12 B3 62.52(10) . . . . ?
B11 B8 B12 B3 -37.26(7) . . . . ?
B16 B14 B15 B17 37.48(7) . . . . ?
B20 B14 B15 B17 -63.77(9) . . . . ?
B32 B14 B15 B17 -0.59(10) . . . . ?
B21 B14 B15 B17 -100.64(8) . . . . ?
B20 B14 B15 B16 -101.25(8) . . . . ?
B32 B14 B15 B16 -38.08(7) . . . . ?
B21 B14 B15 B16 -138.12(8) . . . . ?
B16 B14 B15 B21 138.12(8) . . . . ?
B20 B14 B15 B21 36.88(7) . . . . ?
B32 B14 B15 B21 100.05(8) . . . . ?
B16 B14 B15 B22 100.36(8) . . . . ?
B20 B14 B15 B22 -0.89(10) . . . . ?
B32 B14 B15 B22 62.29(10) . . . . ?
B21 B14 B15 B22 -37.76(7) . . . . ?
B20 B14 B16 C4 1.54(10) . . . . ?
B32 B14 B16 C4 39.19(6) . . . . ?
B21 B14 B16 C4 -61.50(9) . . . . ?
B15 B14 B16 C4 -98.60(8) . . . . ?
B20 B14 B16 B15 100.13(8) . . . . ?
B32 B14 B16 B15 137.78(7) . . . . ?
B21 B14 B16 B15 37.10(7) . . . . ?
B20 B14 B16 B17 62.57(9) . . . . ?
B32 B14 B16 B17 100.22(8) . . . . ?
B21 B14 B16 B17 -0.47(10) . . . . ?
B15 B14 B16 B17 -37.57(7) . . . . ?
B20 B14 B16 B32 -37.65(7) . . . . ?
B21 B14 B16 B32 -100.69(8) . . . . ?
B15 B14 B16 B32 -137.78(7) . . . . ?
B17 B15 B16 C4 -39.59(7) . . . . ?
B21 B15 B16 C4 61.19(9) . . . . ?
B22 B15 B16 C4 -1.95(9) . . . . ?
B14 B15 B16 C4 98.45(7) . . . . ?
B17 B15 B16 B14 -138.03(8) . . . . ?
B21 B15 B16 B14 -37.26(7) . . . . ?
B22 B15 B16 B14 -100.39(8) . . . . ?
B21 B15 B16 B17 100.78(8) . . . . ?
B22 B15 B16 B17 37.64(7) . . . . ?
B14 B15 B16 B17 138.03(8) . . . . ?
B17 B15 B16 B32 -100.12(8) . . . . ?
B21 B15 B16 B32 0.66(10) . . . . ?
B22 B15 B16 B32 -62.48(9) . . . . ?
B14 B15 B16 B32 37.91(7) . . . . ?
B16 B15 B17 C4 39.27(7) . . . . ?
B21 B15 B17 C4 -60.98(9) . . . . ?
B22 B15 B17 C4 -98.31(8) . . . . ?
B14 B15 B17 C4 2.26(9) . . . . ?
B16 B15 B17 B22 137.58(7) . . . . ?
B21 B15 B17 B22 37.33(7) . . . . ?
B14 B15 B17 B22 100.56(8) . . . . ?
B21 B15 B17 B16 -100.25(8) . . . . ?
B22 B15 B17 B16 -137.58(7) . . . . ?
B14 B15 B17 B16 -37.02(7) . . . . ?
B16 B15 B17 B18 100.55(8) . . . . ?
B21 B15 B17 B18 0.30(10) . . . . ?
B22 B15 B17 B18 -37.03(7) . . . . ?
B14 B15 B17 B18 63.54(9) . . . . ?
B14 B16 B17 C4 -95.50(8) . . . . ?
B15 B16 B17 C4 -133.55(8) . . . . ?
B32 B16 B17 C4 -31.93(7) . . . . ?
C4 B16 B17 B22 95.33(8) . . . . ?
B14 B16 B17 B22 -0.17(10) . . . . ?
B15 B16 B17 B22 -38.22(7) . . . . ?
B32 B16 B17 B22 63.40(9) . . . . ?
C4 B16 B17 B15 133.55(8) . . . . ?
B14 B16 B17 B15 38.05(7) . . . . ?
B32 B16 B17 B15 101.62(8) . . . . ?
C4 B16 B17 B18 32.54(7) . . . . ?
B14 B16 B17 B18 -62.97(9) . . . . ?
B15 B16 B17 B18 -101.02(8) . . . . ?
B32 B16 B17 B18 0.60(10) . . . . ?
B22 B17 B18 C4 -133.14(8) . . . . ?
B15 B17 B18 C4 -95.57(8) . . . . ?
B16 B17 B18 C4 -32.22(7) . . . . ?
C4 B17 B18 C3 31.83(7) . . . . ?
B22 B17 B18 C3 -101.32(8) . . . . ?
B15 B17 B18 C3 -63.75(9) . . . . ?
B16 B17 B18 C3 -0.39(10) . . . . ?
C4 B17 B18 B22 133.14(8) . . . . ?
B15 B17 B18 B22 37.57(7) . . . . ?
B16 B17 B18 B22 100.93(8) . . . . ?
C4 B17 B18 B19 94.93(7) . . . . ?
B22 B17 B18 B19 -38.21(7) . . . . ?
B15 B17 B18 B19 -0.64(10) . . . . ?
B16 B17 B18 B19 62.72(9) . . . . ?
C4 B18 B19 C3 -39.18(6) . . . . ?
B22 B18 B19 C3 -137.55(7) . . . . ?
B17 B18 B19 C3 -99.52(7) . . . . ?
C4 B18 B19 B20 -2.61(9) . . . . ?
C3 B18 B19 B20 36.57(7) . . . . ?
B22 B18 B19 B20 -100.98(8) . . . . ?
B17 B18 B19 B20 -62.95(9) . . . . ?
C4 B18 B19 B22 98.37(7) . . . . ?
C3 B18 B19 B22 137.55(7) . . . . ?
B17 B18 B19 B22 38.03(7) . . . . ?
C4 B18 B19 B21 61.07(9) . . . . ?
C3 B18 B19 B21 100.25(8) . . . . ?
B22 B18 B19 B21 -37.30(7) . . . . ?
B17 B18 B19 B21 0.73(9) . . . . ?
C3 B19 B20 B32 35.01(6) . . . . ?
B18 B19 B20 B32 -1.01(9) . . . . ?
B22 B19 B20 B32 -64.41(9) . . . . ?
B21 B19 B20 B32 -101.65(8) . . . . ?
C3 B19 B20 B21 136.66(7) . . . . ?
B18 B19 B20 B21 100.64(8) . . . . ?
B22 B19 B20 B21 37.23(7) . . . . ?
C3 B19 B20 B14 98.89(8) . . . . ?
B18 B19 B20 B14 62.87(9) . . . . ?
B22 B19 B20 B14 -0.53(10) . . . . ?
B21 B19 B20 B14 -37.76(7) . . . . ?
B18 B19 B20 C3 -36.02(6) . . . . ?
B22 B19 B20 C3 -99.43(8) . . . . ?
B21 B19 B20 C3 -136.66(7) . . . . ?
B16 B14 B20 B19 -62.38(9) . . . . ?
B32 B14 B20 B19 -100.41(8) . . . . ?
B21 B14 B20 B19 37.68(7) . . . . ?
B15 B14 B20 B19 0.88(10) . . . . ?
B16 B14 B20 B32 38.03(7) . . . . ?
B21 B14 B20 B32 138.08(8) . . . . ?
B15 B14 B20 B32 101.29(8) . . . . ?
B16 B14 B20 B21 -100.05(8) . . . . ?
B32 B14 B20 B21 -138.08(8) . . . . ?
B15 B14 B20 B21 -36.80(7) . . . . ?
B16 B14 B20 C3 0.30(10) . . . . ?
B32 B14 B20 C3 -37.74(6) . . . . ?
B21 B14 B20 C3 100.35(8) . . . . ?
B15 B14 B20 C3 63.55(9) . . . . ?
B32 B20 B21 B19 100.48(8) . . . . ?
B14 B20 B21 B19 138.23(8) . . . . ?
C3 B20 B21 B19 38.15(7) . . . . ?
B19 B20 B21 B15 -100.80(8) . . . . ?
B32 B20 B21 B15 -0.32(10) . . . . ?
B14 B20 B21 B15 37.43(7) . . . . ?
C3 B20 B21 B15 -62.65(9) . . . . ?
B19 B20 B21 B22 -36.87(7) . . . . ?
B32 B20 B21 B22 63.61(9) . . . . ?
B14 B20 B21 B22 101.36(8) . . . . ?
C3 B20 B21 B22 1.28(10) . . . . ?
B19 B20 B21 B14 -138.23(8) . . . . ?
B32 B20 B21 B14 -37.75(7) . . . . ?
C3 B20 B21 B14 -100.09(8) . . . . ?
C3 B19 B21 B20 -38.89(7) . . . . ?
B18 B19 B21 B20 -101.58(8) . . . . ?
B22 B19 B21 B20 -138.65(8) . . . . ?
C3 B19 B21 B15 62.14(9) . . . . ?
B20 B19 B21 B15 101.03(8) . . . . ?
B18 B19 B21 B15 -0.55(10) . . . . ?
B22 B19 B21 B15 -37.62(7) . . . . ?
C3 B19 B21 B22 99.76(8) . . . . ?
B20 B19 B21 B22 138.65(8) . . . . ?
B18 B19 B21 B22 37.07(7) . . . . ?
C3 B19 B21 B14 -1.77(10) . . . . ?
B20 B19 B21 B14 37.12(7) . . . . ?
B18 B19 B21 B14 -64.46(9) . . . . ?
B22 B19 B21 B14 -101.53(8) . . . . ?
B17 B15 B21 B20 63.26(10) . . . . ?
B16 B15 B21 B20 -0.21(10) . . . . ?
B22 B15 B21 B20 100.47(8) . . . . ?
B14 B15 B21 B20 -37.11(7) . . . . ?
B17 B15 B21 B19 0.15(10) . . . . ?
B16 B15 B21 B19 -63.32(9) . . . . ?
B22 B15 B21 B19 37.36(7) . . . . ?
B14 B15 B21 B19 -100.23(8) . . . . ?
B17 B15 B21 B22 -37.21(7) . . . . ?
B16 B15 B21 B22 -100.68(8) . . . . ?
B14 B15 B21 B22 -137.58(8) . . . . ?
B17 B15 B21 B14 100.37(8) . . . . ?
B16 B15 B21 B14 36.90(7) . . . . ?
B22 B15 B21 B14 137.58(8) . . . . ?
B16 B14 B21 B20 101.22(8) . . . . ?
B32 B14 B21 B20 37.27(7) . . . . ?
B15 B14 B21 B20 138.48(8) . . . . ?
B16 B14 B21 B19 64.19(9) . . . . ?
B20 B14 B21 B19 -37.04(7) . . . . ?
B32 B14 B21 B19 0.23(10) . . . . ?
B15 B14 B21 B19 101.45(8) . . . . ?
B16 B14 B21 B15 -37.26(7) . . . . ?
B20 B14 B21 B15 -138.48(8) . . . . ?
B32 B14 B21 B15 -101.22(8) . . . . ?
B16 B14 B21 B22 0.94(10) . . . . ?
B20 B14 B21 B22 -100.29(8) . . . . ?
B32 B14 B21 B22 -63.02(9) . . . . ?
B15 B14 B21 B22 38.20(7) . . . . ?
C4 B18 B22 B17 39.59(7) . . . . ?
C3 B18 B22 B17 99.52(8) . . . . ?
B19 B18 B22 B17 137.38(8) . . . . ?
C4 B18 B22 B19 -97.79(7) . . . . ?
C3 B18 B22 B19 -37.87(7) . . . . ?
B17 B18 B22 B19 -137.38(8) . . . . ?
C4 B18 B22 B21 -60.71(9) . . . . ?
C3 B18 B22 B21 -0.79(10) . . . . ?
B19 B18 B22 B21 37.08(7) . . . . ?
B17 B18 B22 B21 -100.30(8) . . . . ?
C4 B18 B22 B15 2.39(9) . . . . ?
C3 B18 B22 B15 62.31(9) . . . . ?
B19 B18 B22 B15 100.18(8) . . . . ?
B17 B18 B22 B15 -37.21(7) . . . . ?
C4 B17 B22 B18 -40.01(7) . . . . ?
B15 B17 B22 B18 -138.33(8) . . . . ?
B16 B17 B22 B18 -100.42(8) . . . . ?
C4 B17 B22 B19 -2.02(10) . . . . ?
B15 B17 B22 B19 -100.34(8) . . . . ?
B16 B17 B22 B19 -62.44(9) . . . . ?
B18 B17 B22 B19 37.99(7) . . . . ?
C4 B17 B22 B21 61.16(9) . . . . ?
B15 B17 B22 B21 -37.16(7) . . . . ?
B16 B17 B22 B21 0.74(9) . . . . ?
B18 B17 B22 B21 101.17(8) . . . . ?
C4 B17 B22 B15 98.32(8) . . . . ?
B16 B17 B22 B15 37.90(7) . . . . ?
B18 B17 B22 B15 138.33(8) . . . . ?
C3 B19 B22 B18 37.36(7) . . . . ?
B20 B19 B22 B18 101.31(8) . . . . ?
B21 B19 B22 B18 138.46(8) . . . . ?
C3 B19 B22 B17 -0.96(10) . . . . ?
B20 B19 B22 B17 63.00(10) . . . . ?
B18 B19 B22 B17 -38.31(7) . . . . ?
B21 B19 B22 B17 100.14(8) . . . . ?
C3 B19 B22 B21 -101.10(8) . . . . ?
B20 B19 B22 B21 -37.14(7) . . . . ?
B18 B19 B22 B21 -138.46(8) . . . . ?
C3 B19 B22 B15 -63.99(9) . . . . ?
B20 B19 B22 B15 -0.03(10) . . . . ?
B18 B19 B22 B15 -101.34(8) . . . . ?
B21 B19 B22 B15 37.12(7) . . . . ?
B20 B21 B22 B18 -0.32(10) . . . . ?
B19 B21 B22 B18 -37.07(7) . . . . ?
B15 B21 B22 B18 101.13(8) . . . . ?
B14 B21 B22 B18 62.90(9) . . . . ?
B20 B21 B22 B17 -64.26(9) . . . . ?
B19 B21 B22 B17 -101.01(8) . . . . ?
B15 B21 B22 B17 37.19(7) . . . . ?
B14 B21 B22 B17 -1.04(10) . . . . ?
B20 B21 B22 B19 36.76(7) . . . . ?
B15 B21 B22 B19 138.20(8) . . . . ?
B14 B21 B22 B19 99.98(8) . . . . ?
B20 B21 B22 B15 -101.45(8) . . . . ?
B19 B21 B22 B15 -138.20(8) . . . . ?
B14 B21 B22 B15 -38.23(7) . . . . ?
B17 B15 B22 B18 37.60(7) . . . . ?
B16 B15 B22 B18 -0.30(10) . . . . ?
B21 B15 B22 B18 -100.50(8) . . . . ?
B14 B15 B22 B18 -62.71(10) . . . . ?
B16 B15 B22 B17 -37.90(7) . . . . ?
B21 B15 B22 B17 -138.09(8) . . . . ?
B14 B15 B22 B17 -100.31(8) . . . . ?
B17 B15 B22 B19 100.87(8) . . . . ?
B16 B15 B22 B19 62.97(10) . . . . ?
B21 B15 B22 B19 -37.22(7) . . . . ?
B14 B15 B22 B19 0.57(10) . . . . ?
B17 B15 B22 B21 138.09(8) . . . . ?
B16 B15 B22 B21 100.20(8) . . . . ?
B14 B15 B22 B21 37.79(7) . . . . ?
B30 B13 B23 C5 -36.02(6) . . . . ?
B27 B13 B23 C5 -136.32(8) . . . . ?
B29 B13 B23 C5 -99.31(8) . . . . ?
C5 B13 B23 B27 136.32(8) . . . . ?
B30 B13 B23 B27 100.30(8) . . . . ?
B29 B13 B23 B27 37.00(7) . . . . ?
C5 B13 B23 B28 98.92(8) . . . . ?
B30 B13 B23 B28 62.90(9) . . . . ?
B27 B13 B23 B28 -37.40(7) . . . . ?
B29 B13 B23 B28 -0.40(9) . . . . ?
C5 B13 B23 B24 35.28(6) . . . . ?
B30 B13 B23 B24 -0.74(9) . . . . ?
B27 B13 B23 B24 -101.04(8) . . . . ?
B29 B13 B23 B24 -64.04(9) . . . . ?
C5 B23 B24 C6 39.04(6) . . . . ?
B13 B23 B24 C6 3.70(9) . . . . ?
B27 B23 B24 C6 -59.95(8) . . . . ?
B28 B23 B24 C6 -98.13(7) . . . . ?
B13 B23 B24 C5 -35.33(6) . . . . ?
B27 B23 B24 C5 -98.99(8) . . . . ?
B28 B23 B24 C5 -137.17(7) . . . . ?
C5 B23 B24 B28 137.17(8) . . . . ?
B13 B23 B24 B28 101.84(8) . . . . ?
B27 B23 B24 B28 38.18(7) . . . . ?
C5 B23 B24 B25 99.94(8) . . . . ?
B13 B23 B24 B25 64.60(9) . . . . ?
B27 B23 B24 B25 0.95(9) . . . . ?
B28 B23 B24 B25 -37.23(7) . . . . ?
C5 B24 B25 C6 -33.19(6) . . . . ?
B23 B24 B25 C6 -96.19(7) . . . . ?
B28 B24 B25 C6 -133.52(8) . . . . ?
C6 B24 B25 B28 133.52(8) . . . . ?
C5 B24 B25 B28 100.33(8) . . . . ?
B23 B24 B25 B28 37.34(7) . . . . ?
C6 B24 B25 B26 95.34(8) . . . . ?
C5 B24 B25 B26 62.14(9) . . . . ?
B23 B24 B25 B26 -0.85(10) . . . . ?
B28 B24 B25 B26 -38.18(7) . . . . ?
C6 B24 B25 B31 31.82(7) . . . . ?
C5 B24 B25 B31 -1.37(9) . . . . ?
B23 B24 B25 B31 -64.36(9) . . . . ?
B28 B24 B25 B31 -101.70(8) . . . . ?
C6 B25 B26 B27 60.80(9) . . . . ?
B28 B25 B26 B27 -37.38(7) . . . . ?
B31 B25 B26 B27 100.24(8) . . . . ?
B24 B25 B26 B27 0.43(10) . . . . ?
C6 B25 B26 B31 -39.44(7) . . . . ?
B28 B25 B26 B31 -137.62(8) . . . . ?
B24 B25 B26 B31 -99.82(8) . . . . ?
C6 B25 B26 B28 98.18(8) . . . . ?
B31 B25 B26 B28 137.62(8) . . . . ?
B24 B25 B26 B28 37.80(7) . . . . ?
C6 B25 B26 B29 -2.19(10) . . . . ?
B28 B25 B26 B29 -100.37(8) . . . . ?
B31 B25 B26 B29 37.25(7) . . . . ?
B24 B25 B26 B29 -62.56(10) . . . . ?
C5 B23 B27 B13 38.31(7) . . . . ?
B28 B23 B27 B13 138.61(8) . . . . ?
B24 B23 B27 B13 100.59(8) . . . . ?
C5 B23 B27 B26 -62.97(9) . . . . ?
B13 B23 B27 B26 -101.28(8) . . . . ?
B28 B23 B27 B26 37.33(7) . . . . ?
B24 B23 B27 B26 -0.69(10) . . . . ?
C5 B23 B27 B29 1.27(10) . . . . ?
B13 B23 B27 B29 -37.04(7) . . . . ?
B28 B23 B27 B29 101.57(8) . . . . ?
B24 B23 B27 B29 63.54(9) . . . . ?
C5 B23 B27 B28 -100.30(8) . . . . ?
B13 B23 B27 B28 -138.61(8) . . . . ?
B24 B23 B27 B28 -38.03(7) . . . . ?
C5 B13 B27 B23 -38.74(7) . . . . ?
B30 B13 B27 B23 -101.51(8) . . . . ?
B29 B13 B27 B23 -138.71(8) . . . . ?
C5 B13 B27 B26 62.23(9) . . . . ?
B30 B13 B27 B26 -0.55(10) . . . . ?
B23 B13 B27 B26 100.97(8) . . . . ?
B29 B13 B27 B26 -37.74(7) . . . . ?
C5 B13 B27 B29 99.97(8) . . . . ?
B30 B13 B27 B29 37.19(7) . . . . ?
B23 B13 B27 B29 138.71(8) . . . . ?
C5 B13 B27 B28 -1.83(10) . . . . ?
B30 B13 B27 B28 -64.60(9) . . . . ?
B23 B13 B27 B28 36.91(7) . . . . ?
B29 B13 B27 B28 -101.79(8) . . . . ?
B25 B26 B27 B23 0.16(10) . . . . ?
B31 B26 B27 B23 63.60(9) . . . . ?
B28 B26 B27 B23 -37.05(7) . . . . ?
B29 B26 B27 B23 100.94(8) . . . . ?
B25 B26 B27 B13 -63.26(9) . . . . ?
B31 B26 B27 B13 0.18(10) . . . . ?
B28 B26 B27 B13 -100.47(8) . . . . ?
B29 B26 B27 B13 37.52(7) . . . . ?
B25 B26 B27 B29 -100.78(8) . . . . ?
B31 B26 B27 B29 -37.34(7) . . . . ?
B28 B26 B27 B29 -137.99(7) . . . . ?
B25 B26 B27 B28 37.21(7) . . . . ?
B31 B26 B27 B28 100.65(8) . . . . ?
B29 B26 B27 B28 137.99(7) . . . . ?
C6 B25 B28 B23 1.61(9) . . . . ?
B26 B25 B28 B23 100.21(8) . . . . ?
B31 B25 B28 B23 62.18(9) . . . . ?
B24 B25 B28 B23 -37.62(7) . . . . ?
C6 B25 B28 B24 39.23(7) . . . . ?
B26 B25 B28 B24 137.82(8) . . . . ?
B31 B25 B28 B24 99.79(8) . . . . ?
C6 B25 B28 B27 -61.44(9) . . . . ?
B26 B25 B28 B27 37.16(7) . . . . ?
B31 B25 B28 B27 -0.87(9) . . . . ?
B24 B25 B28 B27 -100.66(8) . . . . ?
C6 B25 B28 B26 -98.60(8) . . . . ?
B31 B25 B28 B26 -38.03(7) . . . . ?
B24 B25 B28 B26 -137.82(8) . . . . ?
C5 B23 B28 B25 0.17(9) . . . . ?
B13 B23 B28 B25 -62.42(9) . . . . ?
B27 B23 B28 B25 -99.74(8) . . . . ?
B24 B23 B28 B25 37.76(7) . . . . ?
C5 B23 B28 B24 -37.59(7) . . . . ?
B13 B23 B28 B24 -100.19(8) . . . . ?
B27 B23 B28 B24 -137.50(8) . . . . ?
C5 B23 B28 B27 99.91(8) . . . . ?
B13 B23 B28 B27 37.31(7) . . . . ?
B24 B23 B28 B27 137.50(8) . . . . ?
C5 B23 B28 B26 63.16(9) . . . . ?
B13 B23 B28 B26 0.56(10) . . . . ?
B27 B23 B28 B26 -36.75(7) . . . . ?
B24 B23 B28 B26 100.74(8) . . . . ?
C6 B24 B28 B25 -39.55(7) . . . . ?
C5 B24 B28 B25 -100.03(8) . . . . ?
B23 B24 B28 B25 -138.02(8) . . . . ?
C6 B24 B28 B23 98.47(7) . . . . ?
C5 B24 B28 B23 37.99(7) . . . . ?
B25 B24 B28 B23 138.02(8) . . . . ?
C6 B24 B28 B27 60.75(9) . . . . ?
C5 B24 B28 B27 0.27(10) . . . . ?
B23 B24 B28 B27 -37.72(7) . . . . ?
B25 B24 B28 B27 100.30(8) . . . . ?
C6 B24 B28 B26 -2.10(9) . . . . ?
C5 B24 B28 B26 -62.58(9) . . . . ?
B23 B24 B28 B26 -100.56(8) . . . . ?
B25 B24 B28 B26 37.45(7) . . . . ?
B23 B27 B28 B25 101.45(8) . . . . ?
B13 B27 B28 B25 64.56(9) . . . . ?
B26 B27 B28 B25 -37.16(7) . . . . ?
B29 B27 B28 B25 0.85(9) . . . . ?
B13 B27 B28 B23 -36.89(7) . . . . ?
B26 B27 B28 B23 -138.62(8) . . . . ?
B29 B27 B28 B23 -100.60(8) . . . . ?
B23 B27 B28 B24 37.86(7) . . . . ?
B13 B27 B28 B24 0.97(10) . . . . ?
B26 B27 B28 B24 -100.76(8) . . . . ?
B29 B27 B28 B24 -62.74(9) . . . . ?
B23 B27 B28 B26 138.62(8) . . . . ?
B13 B27 B28 B26 101.72(8) . . . . ?
B29 B27 B28 B26 38.02(7) . . . . ?
B27 B26 B28 B25 138.02(8) . . . . ?
B31 B26 B28 B25 37.85(7) . . . . ?
B29 B26 B28 B25 100.69(8) . . . . ?
B25 B26 B28 B23 -101.20(8) . . . . ?
B27 B26 B28 B23 36.82(7) . . . . ?
B31 B26 B28 B23 -63.34(9) . . . . ?
B29 B26 B28 B23 -0.50(10) . . . . ?
B25 B26 B28 B24 -37.81(7) . . . . ?
B27 B26 B28 B24 100.21(8) . . . . ?
B31 B26 B28 B24 0.04(10) . . . . ?
B29 B26 B28 B24 62.88(9) . . . . ?
B25 B26 B28 B27 -138.02(8) . . . . ?
B31 B26 B28 B27 -100.16(8) . . . . ?
B29 B26 B28 B27 -37.32(7) . . . . ?
B23 B27 B29 B30 -0.21(10) . . . . ?
B13 B27 B29 B30 -37.10(7) . . . . ?
B26 B27 B29 B30 101.18(8) . . . . ?
B28 B27 B29 B30 63.22(9) . . . . ?
B23 B27 B29 B31 -63.94(9) . . . . ?
B13 B27 B29 B31 -100.83(8) . . . . ?
B26 B27 B29 B31 37.45(7) . . . . ?
B28 B27 B29 B31 -0.51(10) . . . . ?
B23 B27 B29 B13 36.89(7) . . . . ?
B26 B27 B29 B13 138.28(7) . . . . ?
B28 B27 B29 B13 100.32(8) . . . . ?
B23 B27 B29 B26 -101.39(8) . . . . ?
B13 B27 B29 B26 -138.28(7) . . . . ?
B28 B27 B29 B26 -37.95(7) . . . . ?
C5 B13 B29 B30 37.92(7) . . . . ?
B23 B13 B29 B30 101.21(8) . . . . ?
B27 B13 B29 B30 138.20(8) . . . . ?
C5 B13 B29 B31 -0.12(9) . . . . ?
B30 B13 B29 B31 -38.04(7) . . . . ?
B23 B13 B29 B31 63.17(9) . . . . ?
B27 B13 B29 B31 100.16(8) . . . . ?
C5 B13 B29 B27 -100.28(8) . . . . ?
B30 B13 B29 B27 -138.20(8) . . . . ?
B23 B13 B29 B27 -37.00(7) . . . . ?
C5 B13 B29 B26 -63.21(9) . . . . ?
B30 B13 B29 B26 -101.13(8) . . . . ?
B23 B13 B29 B26 0.08(9) . . . . ?
B27 B13 B29 B26 37.08(7) . . . . ?
B25 B26 B29 B30 0.11(10) . . . . ?
B27 B26 B29 B30 -100.16(8) . . . . ?
B31 B26 B29 B30 37.65(7) . . . . ?
B28 B26 B29 B30 -62.74(9) . . . . ?
B25 B26 B29 B31 -37.54(7) . . . . ?
B27 B26 B29 B31 -137.81(8) . . . . ?
B28 B26 B29 B31 -100.39(8) . . . . ?
B25 B26 B29 B27 100.28(8) . . . . ?
B31 B26 B29 B27 137.81(8) . . . . ?
B28 B26 B29 B27 37.42(7) . . . . ?
B25 B26 B29 B13 63.11(9) . . . . ?
B27 B26 B29 B13 -37.16(7) . . . . ?
B31 B26 B29 B13 100.65(8) . . . . ?
B28 B26 B29 B13 0.26(10) . . . . ?
C5 B13 B30 C6 -38.69(6) . . . . ?
B23 B13 B30 C6 -2.49(9) . . . . ?
B27 B13 B30 C6 60.99(8) . . . . ?
B29 B13 B30 C6 98.31(7) . . . . ?
B23 B13 B30 C5 36.20(6) . . . . ?
B27 B13 B30 C5 99.68(7) . . . . ?
B29 B13 B30 C5 137.00(7) . . . . ?
C5 B13 B30 B29 -137.00(7) . . . . ?
B23 B13 B30 B29 -100.80(8) . . . . ?
B27 B13 B30 B29 -37.32(7) . . . . ?
C5 B13 B30 B31 -98.99(7) . . . . ?
B23 B13 B30 B31 -62.78(9) . . . . ?
B27 B13 B30 B31 0.70(9) . . . . ?
B29 B13 B30 B31 38.01(7) . . . . ?
B31 B29 B30 C6 39.34(7) . . . . ?
B27 B29 B30 C6 -61.04(9) . . . . ?
B13 B29 B30 C6 -98.24(7) . . . . ?
B26 B29 B30 C6 1.99(10) . . . . ?
B31 B29 B30 C5 99.44(8) . . . . ?
B27 B29 B30 C5 -0.94(10) . . . . ?
B13 B29 B30 C5 -38.14(7) . . . . ?
B26 B29 B30 C5 62.09(9) . . . . ?
B31 B29 B30 B13 137.58(8) . . . . ?
B27 B29 B30 B13 37.21(7) . . . . ?
B26 B29 B30 B13 100.24(8) . . . . ?
B27 B29 B30 B31 -100.38(8) . . . . ?
B13 B29 B30 B31 -137.58(8) . . . . ?
B26 B29 B30 B31 -37.34(7) . . . . ?
B30 B29 B31 C6 -39.90(7) . . . . ?
B27 B29 B31 C6 60.88(9) . . . . ?
B13 B29 B31 C6 -2.23(10) . . . . ?
B26 B29 B31 C6 98.28(8) . . . . ?
B30 B29 B31 B26 -138.17(8) . . . . ?
B27 B29 B31 B26 -37.40(7) . . . . ?
B13 B29 B31 B26 -100.51(8) . . . . ?
B30 B29 B31 B25 -100.81(8) . . . . ?
B27 B29 B31 B25 -0.04(9) . . . . ?
B13 B29 B31 B25 -63.15(9) . . . . ?
B26 B29 B31 B25 37.36(7) . . . . ?
B27 B29 B31 B30 100.78(8) . . . . ?
B13 B29 B31 B30 37.66(7) . . . . ?
B26 B29 B31 B30 138.17(8) . . . . ?
B25 B26 B31 C6 39.57(7) . . . . ?
B27 B26 B31 C6 -61.11(9) . . . . ?
B28 B26 B31 C6 2.02(10) . . . . ?
B29 B26 B31 C6 -98.50(8) . . . . ?
B25 B26 B31 B29 138.07(8) . . . . ?
B27 B26 B31 B29 37.39(7) . . . . ?
B28 B26 B31 B29 100.52(8) . . . . ?
B27 B26 B31 B25 -100.68(8) . . . . ?
B28 B26 B31 B25 -37.55(7) . . . . ?
B29 B26 B31 B25 -138.07(8) . . . . ?
B25 B26 B31 B30 100.92(8) . . . . ?
B27 B26 B31 B30 0.24(10) . . . . ?
B28 B26 B31 B30 63.38(9) . . . . ?
B29 B26 B31 B30 -37.14(7) . . . . ?
B28 B25 B31 C6 -95.11(8) . . . . ?
B26 B25 B31 C6 -133.47(8) . . . . ?
B24 B25 B31 C6 -31.73(7) . . . . ?
C6 B25 B31 B29 95.68(8) . . . . ?
B28 B25 B31 B29 0.57(10) . . . . ?
B26 B25 B31 B29 -37.79(7) . . . . ?
B24 B25 B31 B29 63.94(9) . . . . ?
C6 B25 B31 B26 133.47(8) . . . . ?
B28 B25 B31 B26 38.36(7) . . . . ?
B24 B25 B31 B26 101.73(8) . . . . ?
C6 B25 B31 B30 32.79(7) . . . . ?
B28 B25 B31 B30 -62.32(9) . . . . ?
B26 B25 B31 B30 -100.67(8) . . . . ?
B24 B25 B31 B30 1.06(10) . . . . ?
C5 B30 B31 C6 32.27(6) . . . . ?
B13 B30 B31 C6 95.12(8) . . . . ?
B29 B30 B31 C6 133.38(8) . . . . ?
C6 B30 B31 B29 -133.38(8) . . . . ?
C5 B30 B31 B29 -101.11(8) . . . . ?
B13 B30 B31 B29 -38.26(7) . . . . ?
C6 B30 B31 B26 -95.71(8) . . . . ?
C5 B30 B31 B26 -63.44(9) . . . . ?
B13 B30 B31 B26 -0.59(10) . . . . ?
B29 B30 B31 B26 37.67(7) . . . . ?
C6 B30 B31 B25 -32.61(7) . . . . ?
C5 B30 B31 B25 -0.34(9) . . . . ?
B13 B30 B31 B25 62.51(9) . . . . ?
B29 B30 B31 B25 100.77(8) . . . . ?
B19 B20 B32 C4 4.25(9) . . . . ?
B21 B20 B32 C4 -59.66(9) . . . . ?
B14 B20 B32 C4 -97.52(7) . . . . ?
C3 B20 B32 C4 39.40(6) . . . . ?
B19 B20 B32 C3 -35.15(6) . . . . ?
B21 B20 B32 C3 -99.06(8) . . . . ?
B14 B20 B32 C3 -136.92(7) . . . . ?
B19 B20 B32 B14 101.77(8) . . . . ?
B21 B20 B32 B14 37.86(7) . . . . ?
C3 B20 B32 B14 136.92(7) . . . . ?
B19 B20 B32 B16 64.63(9) . . . . ?
B21 B20 B32 B16 0.72(9) . . . . ?
B14 B20 B32 B16 -37.14(7) . . . . ?
C3 B20 B32 B16 99.78(7) . . . . ?
B16 B14 B32 C4 -39.06(7) . . . . ?
B20 B14 B32 C4 98.76(7) . . . . ?
B21 B14 B32 C4 61.54(9) . . . . ?
B15 B14 B32 C4 -1.33(9) . . . . ?
B16 B14 B32 C3 -99.20(7) . . . . ?
B20 B14 B32 C3 38.62(7) . . . . ?
B21 B14 B32 C3 1.40(9) . . . . ?
B15 B14 B32 C3 -61.47(9) . . . . ?
B16 B14 B32 B20 -137.82(8) . . . . ?
B21 B14 B32 B20 -37.22(7) . . . . ?
B15 B14 B32 B20 -100.09(8) . . . . ?
B20 B14 B32 B16 137.82(8) . . . . ?
B21 B14 B32 B16 100.60(8) . . . . ?
B15 B14 B32 B16 37.73(7) . . . . ?
B14 B16 B32 C4 133.72(8) . . . . ?
B15 B16 B32 C4 95.43(8) . . . . ?
B17 B16 B32 C4 32.12(7) . . . . ?
C4 B16 B32 C3 -32.70(6) . . . . ?
B14 B16 B32 C3 101.01(8) . . . . ?
B15 B16 B32 C3 62.73(9) . . . . ?
B17 B16 B32 C3 -0.58(10) . . . . ?
C4 B16 B32 B20 -96.28(7) . . . . ?
B14 B16 B32 B20 37.43(7) . . . . ?
B15 B16 B32 B20 -0.85(9) . . . . ?
B17 B16 B32 B20 -64.16(9) . . . . ?
C4 B16 B32 B14 -133.72(8) . . . . ?
B15 B16 B32 B14 -38.28(7) . . . . ?
B17 B16 B32 B14 -101.59(8) . . . . ?
O1A B1 C1 C2 -127.97(19) . . . . ?
O1 B1 C1 C2 -125.3(12) . . . . ?
C5 B1 C1 C2 -12.37(10) . . . . ?
C3 B1 C1 C2 123.94(8) . . . . ?
O1A B1 C1 B2 10.2(2) . . . . ?
O1 B1 C1 B2 12.9(12) . . . . ?
C5 B1 C1 B2 125.79(8) . . . . ?
C3 B1 C1 B2 -97.90(9) . . . . ?
O1A B1 C1 B5 -60.27(19) . . . . ?
O1 B1 C1 B5 -57.6(12) . . . . ?
C5 B1 C1 B5 55.32(9) . . . . ?
C3 B1 C1 B5 -168.37(7) . . . . ?
O1A B1 C1 B10 162.48(19) . . . . ?
O1 B1 C1 B10 165.1(12) . . . . ?
C5 B1 C1 B10 -81.93(9) . . . . ?
C3 B1 C1 B10 54.38(10) . . . . ?
O1A B1 C1 B9 86.5(2) . . . . ?
O1 B1 C1 B9 89.2(12) . . . . ?
C5 B1 C1 B9 -157.87(8) . . . . ?
C3 B1 C1 B9 -21.56(11) . . . . ?
B9 B2 C1 C2 -98.32(7) . . . . ?
B5 B2 C1 C2 40.16(6) . . . . ?
B11 B2 C1 C2 -59.94(8) . . . . ?
B3 B2 C1 C2 2.91(9) . . . . ?
B9 B2 C1 B1 119.03(9) . . . . ?
B5 B2 C1 B1 -102.50(8) . . . . ?
B11 B2 C1 B1 157.41(8) . . . . ?
B3 B2 C1 B1 -139.74(8) . . . . ?
B9 B2 C1 B5 -138.47(7) . . . . ?
B11 B2 C1 B5 -100.09(8) . . . . ?
B3 B2 C1 B5 -37.25(7) . . . . ?
B9 B2 C1 B10 -36.06(7) . . . . ?
B5 B2 C1 B10 102.42(7) . . . . ?
B11 B2 C1 B10 2.32(9) . . . . ?
B3 B2 C1 B10 65.17(9) . . . . ?
B5 B2 C1 B9 138.47(7) . . . . ?
B11 B2 C1 B9 38.38(7) . . . . ?
B3 B2 C1 B9 101.23(8) . . . . ?
B3 B5 C1 C2 -96.12(8) . . . . ?
B2 B5 C1 C2 -134.09(7) . . . . ?
B4 B5 C1 C2 -32.60(7) . . . . ?
C2 B5 C1 B1 -110.44(8) . . . . ?
B3 B5 C1 B1 153.44(7) . . . . ?
B2 B5 C1 B1 115.47(8) . . . . ?
B4 B5 C1 B1 -143.04(7) . . . . ?
C2 B5 C1 B2 134.09(7) . . . . ?
B3 B5 C1 B2 37.97(7) . . . . ?
B4 B5 C1 B2 101.49(8) . . . . ?
C2 B5 C1 B10 31.64(7) . . . . ?
B3 B5 C1 B10 -64.49(9) . . . . ?
B2 B5 C1 B10 -102.45(7) . . . . ?
B4 B5 C1 B10 -0.97(9) . . . . ?
C2 B5 C1 B9 96.51(7) . . . . ?
B3 B5 C1 B9 0.39(9) . . . . ?
B2 B5 C1 B9 -37.58(7) . . . . ?
B4 B5 C1 B9 63.91(9) . . . . ?
B9 B10 C1 C2 133.17(7) . . . . ?
B8 B10 C1 C2 95.48(8) . . . . ?
B7 B10 C1 C2 33.01(7) . . . . ?
C2 B10 C1 B1 107.24(8) . . . . ?
B9 B10 C1 B1 -119.58(8) . . . . ?
B8 B10 C1 B1 -157.27(7) . . . . ?
B7 B10 C1 B1 140.25(8) . . . . ?
C2 B10 C1 B2 -97.27(7) . . . . ?
B9 B10 C1 B2 35.90(7) . . . . ?
B8 B10 C1 B2 -1.79(9) . . . . ?
B7 B10 C1 B2 -64.27(9) . . . . ?
C2 B10 C1 B5 -31.86(7) . . . . ?
B9 B10 C1 B5 101.32(7) . . . . ?
B8 B10 C1 B5 63.62(9) . . . . ?
B7 B10 C1 B5 1.15(9) . . . . ?
C2 B10 C1 B9 -133.17(7) . . . . ?
B8 B10 C1 B9 -37.69(7) . . . . ?
B7 B10 C1 B9 -100.17(8) . . . . ?
B11 B9 C1 C2 61.40(8) . . . . ?
B2 B9 C1 C2 100.36(7) . . . . ?
B8 B9 C1 C2 -2.42(9) . . . . ?
B10 B9 C1 C2 -40.31(6) . . . . ?
B11 B9 C1 B1 -149.40(8) . . . . ?
B2 B9 C1 B1 -110.45(9) . . . . ?
B8 B9 C1 B1 146.78(8) . . . . ?
B10 B9 C1 B1 108.89(9) . . . . ?
B11 B9 C1 B2 -38.96(7) . . . . ?
B8 B9 C1 B2 -102.78(8) . . . . ?
B10 B9 C1 B2 -140.66(8) . . . . ?
B11 B9 C1 B5 -1.08(9) . . . . ?
B2 B9 C1 B5 37.87(7) . . . . ?
B8 B9 C1 B5 -64.90(9) . . . . ?
B10 B9 C1 B5 -102.79(7) . . . . ?
B11 B9 C1 B10 101.71(8) . . . . ?
B2 B9 C1 B10 140.66(8) . . . . ?
B8 B9 C1 B10 37.89(7) . . . . ?
B1 C1 C2 B10 -111.54(8) . . . . ?
B2 C1 C2 B10 104.05(7) . . . . ?
B5 C1 C2 B10 144.90(7) . . . . ?
B9 C1 C2 B10 41.18(7) . . . . ?
B1 C1 C2 B7 -149.04(8) . . . . ?
B2 C1 C2 B7 66.55(9) . . . . ?
B5 C1 C2 B7 107.40(8) . . . . ?
B10 C1 C2 B7 -37.50(7) . . . . ?
B9 C1 C2 B7 3.67(9) . . . . ?
B1 C1 C2 B4 140.02(8) . . . . ?
B2 C1 C2 B4 -4.39(10) . . . . ?
B5 C1 C2 B4 36.47(8) . . . . ?
B10 C1 C2 B4 -108.43(8) . . . . ?
B9 C1 C2 B4 -67.26(9) . . . . ?
B1 C1 C2 B5 103.56(8) . . . . ?
B2 C1 C2 B5 -40.85(7) . . . . ?
B10 C1 C2 B5 -144.90(7) . . . . ?
B9 C1 C2 B5 -103.72(7) . . . . ?
B9 B10 C2 C1 -40.54(6) . . . . ?
B8 B10 C2 C1 -102.27(7) . . . . ?
B7 B10 C2 C1 -142.19(7) . . . . ?
C1 B10 C2 B7 142.19(7) . . . . ?
B9 B10 C2 B7 101.65(8) . . . . ?
B8 B10 C2 B7 39.92(7) . . . . ?
C1 B10 C2 B4 105.60(8) . . . . ?
B9 B10 C2 B4 65.06(9) . . . . ?
B8 B10 C2 B4 3.33(10) . . . . ?
B7 B10 C2 B4 -36.59(8) . . . . ?
C1 B10 C2 B5 34.33(7) . . . . ?
B9 B10 C2 B5 -6.21(10) . . . . ?
B8 B10 C2 B5 -67.95(9) . . . . ?
B7 B10 C2 B5 -107.86(8) . . . . ?
B8 B7 C2 C1 -3.30(10) . . . . ?
B12 B7 C2 C1 -66.11(10) . . . . ?
B4 B7 C2 C1 -106.30(8) . . . . ?
B10 B7 C2 C1 37.10(7) . . . . ?
B8 B7 C2 B10 -40.40(7) . . . . ?
B12 B7 C2 B10 -103.21(8) . . . . ?
B4 B7 C2 B10 -143.40(8) . . . . ?
B8 B7 C2 B4 103.00(8) . . . . ?
B12 B7 C2 B4 40.19(7) . . . . ?
B10 B7 C2 B4 143.40(8) . . . . ?
B8 B7 C2 B5 66.71(10) . . . . ?
B12 B7 C2 B5 3.90(11) . . . . ?
B4 B7 C2 B5 -36.29(8) . . . . ?
B10 B7 C2 B5 107.11(8) . . . . ?
B12 B4 C2 C1 66.68(9) . . . . ?
B3 B4 C2 C1 3.87(10) . . . . ?
B5 B4 C2 C1 -36.13(7) . . . . ?
B7 B4 C2 C1 107.27(8) . . . . ?
B12 B4 C2 B10 -3.86(10) . . . . ?
B3 B4 C2 B10 -66.67(10) . . . . ?
B5 B4 C2 B10 -106.67(8) . . . . ?
B7 B4 C2 B10 36.73(8) . . . . ?
B12 B4 C2 B7 -40.59(7) . . . . ?
B3 B4 C2 B7 -103.40(8) . . . . ?
B5 B4 C2 B7 -143.40(8) . . . . ?
B12 B4 C2 B5 102.81(8) . . . . ?
B3 B4 C2 B5 40.00(7) . . . . ?
B7 B4 C2 B5 143.40(8) . . . . ?
B3 B5 C2 C1 102.30(7) . . . . ?
B2 B5 C2 C1 39.55(6) . . . . ?
B4 B5 C2 C1 142.77(8) . . . . ?
C1 B5 C2 B10 -34.51(7) . . . . ?
B3 B5 C2 B10 67.79(9) . . . . ?
B2 B5 C2 B10 5.04(10) . . . . ?
B4 B5 C2 B10 108.26(9) . . . . ?
C1 B5 C2 B7 -106.37(8) . . . . ?
B3 B5 C2 B7 -4.07(10) . . . . ?
B2 B5 C2 B7 -66.82(9) . . . . ?
B4 B5 C2 B7 36.40(8) . . . . ?
C1 B5 C2 B4 -142.77(8) . . . . ?
B3 B5 C2 B4 -40.47(7) . . . . ?
B2 B5 C2 B4 -103.22(8) . . . . ?
O1A B1 C3 C4 -123.6(2) . . . . ?
O1 B1 C3 C4 -124.7(13) . . . . ?
C5 B1 C3 C4 128.77(8) . . . . ?
C1 B1 C3 C4 -8.09(10) . . . . ?
O1A B1 C3 B18 -56.6(2) . . . . ?
O1 B1 C3 B18 -57.7(13) . . . . ?
C5 B1 C3 B18 -164.21(7) . . . . ?
C1 B1 C3 B18 58.94(9) . . . . ?
O1A B1 C3 B32 164.7(2) . . . . ?
O1 B1 C3 B32 163.7(13) . . . . ?
C5 B1 C3 B32 57.16(10) . . . . ?
C1 B1 C3 B32 -79.70(10) . . . . ?
O1A B1 C3 B19 11.1(2) . . . . ?
O1 B1 C3 B19 10.0(13) . . . . ?
C5 B1 C3 B19 -96.53(9) . . . . ?
C1 B1 C3 B19 126.61(8) . . . . ?
O1A B1 C3 B20 85.8(2) . . . . ?
O1 B1 C3 B20 84.7(13) . . . . ?
C5 B1 C3 B20 -21.82(12) . . . . ?
C1 B1 C3 B20 -158.68(8) . . . . ?
B22 B18 C3 C4 -95.20(8) . . . . ?
B19 B18 C3 C4 -133.27(7) . . . . ?
B17 B18 C3 C4 -32.01(7) . . . . ?
C4 B18 C3 B1 -112.84(7) . . . . ?
B22 B18 C3 B1 151.96(7) . . . . ?
B19 B18 C3 B1 113.88(7) . . . . ?
B17 B18 C3 B1 -144.86(7) . . . . ?
C4 B18 C3 B32 32.04(7) . . . . ?
B22 B18 C3 B32 -63.16(9) . . . . ?
B19 B18 C3 B32 -101.24(8) . . . . ?
B17 B18 C3 B32 0.02(10) . . . . ?
C4 B18 C3 B19 133.27(7) . . . . ?
B22 B18 C3 B19 38.08(7) . . . . ?
B17 B18 C3 B19 101.26(8) . . . . ?
C4 B18 C3 B20 96.81(7) . . . . ?
B22 B18 C3 B20 1.61(9) . . . . ?
B19 B18 C3 B20 -36.47(7) . . . . ?
B17 B18 C3 B20 64.79(9) . . . . ?
B20 B32 C3 C4 133.38(7) . . . . ?
B14 B32 C3 C4 95.05(7) . . . . ?
B16 B32 C3 C4 32.76(7) . . . . ?
C4 B32 C3 B1 106.32(9) . . . . ?
B20 B32 C3 B1 -120.30(9) . . . . ?
B14 B32 C3 B1 -158.63(8) . . . . ?
B16 B32 C3 B1 139.08(8) . . . . ?
C4 B32 C3 B18 -32.41(7) . . . . ?
B20 B32 C3 B18 100.97(8) . . . . ?
B14 B32 C3 B18 62.64(9) . . . . ?
B16 B32 C3 B18 0.35(9) . . . . ?
C4 B32 C3 B19 -97.60(7) . . . . ?
B20 B32 C3 B19 35.78(7) . . . . ?
B14 B32 C3 B19 -2.55(9) . . . . ?
B16 B32 C3 B19 -64.84(9) . . . . ?
C4 B32 C3 B20 -133.38(7) . . . . ?
B14 B32 C3 B20 -38.33(7) . . . . ?
B16 B32 C3 B20 -100.62(8) . . . . ?
B20 B19 C3 C4 -98.46(7) . . . . ?
B18 B19 C3 C4 41.18(6) . . . . ?
B22 B19 C3 C4 3.64(9) . . . . ?
B21 B19 C3 C4 -59.82(9) . . . . ?
B20 B19 C3 B1 121.59(8) . . . . ?
B18 B19 C3 B1 -98.78(8) . . . . ?
B22 B19 C3 B1 -136.32(8) . . . . ?
B21 B19 C3 B1 160.23(7) . . . . ?
B20 B19 C3 B18 -139.63(7) . . . . ?
B22 B19 C3 B18 -37.54(7) . . . . ?
B21 B19 C3 B18 -101.00(8) . . . . ?
B20 B19 C3 B32 -35.94(7) . . . . ?
B18 B19 C3 B32 103.69(7) . . . . ?
B22 B19 C3 B32 66.15(9) . . . . ?
B21 B19 C3 B32 2.70(9) . . . . ?
B18 B19 C3 B20 139.63(7) . . . . ?
B22 B19 C3 B20 102.09(8) . . . . ?
B21 B19 C3 B20 38.64(7) . . . . ?
B19 B20 C3 C4 100.12(7) . . . . ?
B32 B20 C3 C4 -40.35(6) . . . . ?
B21 B20 C3 C4 61.54(8) . . . . ?
B14 B20 C3 C4 -2.04(9) . . . . ?
B19 B20 C3 B1 -106.13(9) . . . . ?
B32 B20 C3 B1 113.40(9) . . . . ?
B21 B20 C3 B1 -144.71(8) . . . . ?
B14 B20 C3 B1 151.70(8) . . . . ?
B19 B20 C3 B18 36.79(7) . . . . ?
B32 B20 C3 B18 -103.68(7) . . . . ?
B21 B20 C3 B18 -1.79(9) . . . . ?
B14 B20 C3 B18 -65.38(9) . . . . ?
B19 B20 C3 B32 140.47(7) . . . . ?
B21 B20 C3 B32 101.89(8) . . . . ?
B14 B20 C3 B32 38.30(7) . . . . ?
B32 B20 C3 B19 -140.47(7) . . . . ?
B21 B20 C3 B19 -38.58(7) . . . . ?
B14 B20 C3 B19 -102.17(8) . . . . ?
B1 C3 C4 B32 -116.22(8) . . . . ?
B18 C3 C4 B32 144.82(7) . . . . ?
B19 C3 C4 B32 103.43(7) . . . . ?
B20 C3 C4 B32 40.89(6) . . . . ?
B1 C3 C4 B16 -153.79(7) . . . . ?
B18 C3 C4 B16 107.25(8) . . . . ?
B32 C3 C4 B16 -37.58(7) . . . . ?
B19 C3 C4 B16 65.85(9) . . . . ?
B20 C3 C4 B16 3.31(9) . . . . ?
B1 C3 C4 B17 134.99(8) . . . . ?
B18 C3 C4 B17 36.03(7) . . . . ?
B32 C3 C4 B17 -108.79(8) . . . . ?
B19 C3 C4 B17 -5.36(9) . . . . ?
B20 C3 C4 B17 -67.90(9) . . . . ?
B1 C3 C4 B18 98.96(8) . . . . ?
B32 C3 C4 B18 -144.82(7) . . . . ?
B19 C3 C4 B18 -41.39(7) . . . . ?
B20 C3 C4 B18 -103.93(7) . . . . ?
B20 B32 C4 C3 -40.75(6) . . . . ?
B14 B32 C4 C3 -102.61(7) . . . . ?
B16 B32 C4 C3 -142.31(7) . . . . ?
C3 B32 C4 B16 142.31(7) . . . . ?
B20 B32 C4 B16 101.56(7) . . . . ?
B14 B32 C4 B16 39.69(7) . . . . ?
C3 B32 C4 B17 105.69(8) . . . . ?
B20 B32 C4 B17 64.94(9) . . . . ?
B14 B32 C4 B17 3.08(10) . . . . ?
B16 B32 C4 B17 -36.62(8) . . . . ?
C3 B32 C4 B18 34.32(7) . . . . ?
B20 B32 C4 B18 -6.42(9) . . . . ?
B14 B32 C4 B18 -68.29(9) . . . . ?
B16 B32 C4 B18 -107.98(8) . . . . ?
B14 B16 C4 C3 -3.11(10) . . . . ?
B15 B16 C4 C3 -66.15(9) . . . . ?
B17 B16 C4 C3 -106.41(8) . . . . ?
B32 B16 C4 C3 37.13(7) . . . . ?
B14 B16 C4 B32 -40.24(7) . . . . ?
B15 B16 C4 B32 -103.28(8) . . . . ?
B17 B16 C4 B32 -143.54(8) . . . . ?
B14 B16 C4 B17 103.30(8) . . . . ?
B15 B16 C4 B17 40.26(7) . . . . ?
B32 B16 C4 B17 143.54(8) . . . . ?
B14 B16 C4 B18 66.84(9) . . . . ?
B15 B16 C4 B18 3.80(10) . . . . ?
B17 B16 C4 B18 -36.46(8) . . . . ?
B32 B16 C4 B18 107.08(8) . . . . ?
B22 B17 C4 C3 4.67(10) . . . . ?
B15 B17 C4 C3 67.35(9) . . . . ?
B16 B17 C4 C3 107.60(8) . . . . ?
B18 B17 C4 C3 -35.64(7) . . . . ?
B22 B17 C4 B32 -66.13(9) . . . . ?
B15 B17 C4 B32 -3.46(10) . . . . ?
B16 B17 C4 B32 36.79(8) . . . . ?
B18 B17 C4 B32 -106.44(8) . . . . ?
B22 B17 C4 B16 -102.92(8) . . . . ?
B15 B17 C4 B16 -40.25(7) . . . . ?
B18 B17 C4 B16 -143.24(8) . . . . ?
B22 B17 C4 B18 40.31(7) . . . . ?
B15 B17 C4 B18 102.99(8) . . . . ?
B16 B17 C4 B18 143.24(8) . . . . ?
B22 B18 C4 C3 102.69(8) . . . . ?
B19 B18 C4 C3 40.37(6) . . . . ?
B17 B18 C4 C3 143.28(8) . . . . ?
C3 B18 C4 B32 -34.58(7) . . . . ?
B22 B18 C4 B32 68.11(9) . . . . ?
B19 B18 C4 B32 5.79(9) . . . . ?
B17 B18 C4 B32 108.69(8) . . . . ?
C3 B18 C4 B16 -106.67(8) . . . . ?
B22 B18 C4 B16 -3.98(10) . . . . ?
B19 B18 C4 B16 -66.30(9) . . . . ?
B17 B18 C4 B16 36.60(8) . . . . ?
C3 B18 C4 B17 -143.28(8) . . . . ?
B22 B18 C4 B17 -40.58(7) . . . . ?
B19 B18 C4 B17 -102.90(8) . . . . ?
O1A B1 C5 C6 -117.40(17) . . . . ?
O1 B1 C5 C6 -119.0(11) . . . . ?
C1 B1 C5 C6 123.23(8) . . . . ?
C3 B1 C5 C6 -13.45(10) . . . . ?
O1A B1 C5 B30 -50.15(17) . . . . ?
O1 B1 C5 B30 -51.8(11) . . . . ?
C1 B1 C5 B30 -169.53(7) . . . . ?
C3 B1 C5 B30 53.79(9) . . . . ?
O1A B1 C5 B13 18.46(18) . . . . ?
O1 B1 C5 B13 16.8(11) . . . . ?
C1 B1 C5 B13 -100.91(9) . . . . ?
C3 B1 C5 B13 122.41(8) . . . . ?
O1A B1 C5 B24 172.39(17) . . . . ?
O1 B1 C5 B24 170.8(11) . . . . ?
C1 B1 C5 B24 53.01(10) . . . . ?
C3 B1 C5 B24 -83.67(10) . . . . ?
O1A B1 C5 B23 94.61(18) . . . . ?
O1 B1 C5 B23 93.0(11) . . . . ?
C1 B1 C5 B23 -24.76(12) . . . . ?
C3 B1 C5 B23 -161.45(8) . . . . ?
B13 B30 C5 C6 -134.12(7) . . . . ?
B29 B30 C5 C6 -95.53(8) . . . . ?
B31 B30 C5 C6 -32.33(6) . . . . ?
C6 B30 C5 B1 -111.10(7) . . . . ?
B13 B30 C5 B1 114.78(8) . . . . ?
B29 B30 C5 B1 153.37(7) . . . . ?
B31 B30 C5 B1 -143.43(7) . . . . ?
C6 B30 C5 B13 134.12(7) . . . . ?
B29 B30 C5 B13 38.59(7) . . . . ?
B31 B30 C5 B13 101.79(8) . . . . ?
C6 B30 C5 B24 31.79(7) . . . . ?
B13 B30 C5 B24 -102.33(7) . . . . ?
B29 B30 C5 B24 -63.74(9) . . . . ?
B31 B30 C5 B24 -0.54(9) . . . . ?
C6 B30 C5 B23 97.30(7) . . . . ?
B13 B30 C5 B23 -36.82(7) . . . . ?
B29 B30 C5 B23 1.77(9) . . . . ?
B31 B30 C5 B23 64.97(9) . . . . ?
B30 B13 C5 C6 40.46(6) . . . . ?
B23 B13 C5 C6 -99.26(7) . . . . ?
B27 B13 C5 C6 -60.54(9) . . . . ?
B29 B13 C5 C6 2.48(9) . . . . ?
B30 B13 C5 B1 -99.98(8) . . . . ?
B23 B13 C5 B1 120.30(9) . . . . ?
B27 B13 C5 B1 159.02(7) . . . . ?
B29 B13 C5 B1 -137.96(8) . . . . ?
B23 B13 C5 B30 -139.72(7) . . . . ?
B27 B13 C5 B30 -101.01(8) . . . . ?
B29 B13 C5 B30 -37.98(7) . . . . ?
B30 B13 C5 B24 103.05(7) . . . . ?
B23 B13 C5 B24 -36.67(7) . . . . ?
B27 B13 C5 B24 2.04(10) . . . . ?
B29 B13 C5 B24 65.07(9) . . . . ?
B30 B13 C5 B23 139.72(7) . . . . ?
B27 B13 C5 B23 38.71(7) . . . . ?
B29 B13 C5 B23 101.74(8) . . . . ?
B23 B24 C5 C6 134.01(7) . . . . ?
B28 B24 C5 C6 96.03(8) . . . . ?
B25 B24 C5 C6 33.33(6) . . . . ?
C6 B24 C5 B1 106.02(8) . . . . ?
B23 B24 C5 B1 -119.96(9) . . . . ?
B28 B24 C5 B1 -157.95(8) . . . . ?
B25 B24 C5 B1 139.35(8) . . . . ?
C6 B24 C5 B30 -32.13(7) . . . . ?
B23 B24 C5 B30 101.88(7) . . . . ?
B28 B24 C5 B30 63.90(9) . . . . ?
B25 B24 C5 B30 1.20(9) . . . . ?
C6 B24 C5 B13 -97.47(7) . . . . ?
B23 B24 C5 B13 36.54(7) . . . . ?
B28 B24 C5 B13 -1.45(10) . . . . ?
B25 B24 C5 B13 -64.15(9) . . . . ?
C6 B24 C5 B23 -134.01(7) . . . . ?
B28 B24 C5 B23 -37.98(7) . . . . ?
B25 B24 C5 B23 -100.68(8) . . . . ?
B13 B23 C5 C6 100.23(7) . . . . ?
B27 B23 C5 C6 61.50(8) . . . . ?
B28 B23 C5 C6 -1.93(9) . . . . ?
B24 B23 C5 C6 -39.94(6) . . . . ?
B13 B23 C5 B1 -108.66(9) . . . . ?
B27 B23 C5 B1 -147.40(8) . . . . ?
B28 B23 C5 B1 149.17(8) . . . . ?
B24 B23 C5 B1 111.16(9) . . . . ?
B13 B23 C5 B30 36.85(7) . . . . ?
B27 B23 C5 B30 -1.88(9) . . . . ?
B28 B23 C5 B30 -65.31(8) . . . . ?
B24 B23 C5 B30 -103.32(7) . . . . ?
B27 B23 C5 B13 -38.74(7) . . . . ?
B28 B23 C5 B13 -102.17(8) . . . . ?
B24 B23 C5 B13 -140.18(7) . . . . ?
B13 B23 C5 B24 140.18(7) . . . . ?
B27 B23 C5 B24 101.44(8) . . . . ?
B28 B23 C5 B24 38.01(7) . . . . ?
B1 C5 C6 B24 -113.89(8) . . . . ?
B30 C5 C6 B24 145.01(7) . . . . ?
B13 C5 C6 B24 104.25(7) . . . . ?
B23 C5 C6 B24 40.83(6) . . . . ?
B1 C5 C6 B31 137.60(8) . . . . ?
B30 C5 C6 B31 36.50(7) . . . . ?
B13 C5 C6 B31 -4.26(9) . . . . ?
B24 C5 C6 B31 -108.50(8) . . . . ?
B23 C5 C6 B31 -67.68(9) . . . . ?
B1 C5 C6 B25 -151.49(8) . . . . ?
B30 C5 C6 B25 107.41(8) . . . . ?
B13 C5 C6 B25 66.65(9) . . . . ?
B24 C5 C6 B25 -37.60(7) . . . . ?
B23 C5 C6 B25 3.23(9) . . . . ?
B1 C5 C6 B30 101.10(8) . . . . ?
B13 C5 C6 B30 -40.76(6) . . . . ?
B24 C5 C6 B30 -145.01(7) . . . . ?
B23 C5 C6 B30 -104.18(7) . . . . ?
B23 B24 C6 C5 -39.90(6) . . . . ?
B28 B24 C6 C5 -101.80(7) . . . . ?
B25 B24 C6 C5 -141.95(7) . . . . ?
C5 B24 C6 B31 105.55(8) . . . . ?
B23 B24 C6 B31 65.65(9) . . . . ?
B28 B24 C6 B31 3.75(10) . . . . ?
B25 B24 C6 B31 -36.39(8) . . . . ?
C5 B24 C6 B25 141.95(7) . . . . ?
B23 B24 C6 B25 102.04(7) . . . . ?
B28 B24 C6 B25 40.14(7) . . . . ?
C5 B24 C6 B30 34.16(7) . . . . ?
B23 B24 C6 B30 -5.75(9) . . . . ?
B28 B24 C6 B30 -67.65(9) . . . . ?
B25 B24 C6 B30 -107.79(8) . . . . ?
B29 B31 C6 C5 4.09(10) . . . . ?
B26 B31 C6 C5 66.78(9) . . . . ?
B25 B31 C6 C5 106.97(8) . . . . ?
B30 B31 C6 C5 -36.08(7) . . . . ?
B29 B31 C6 B24 -66.41(9) . . . . ?
B26 B31 C6 B24 -3.72(10) . . . . ?
B25 B31 C6 B24 36.47(8) . . . . ?
B30 B31 C6 B24 -106.58(8) . . . . ?
B29 B31 C6 B25 -102.87(8) . . . . ?
B26 B31 C6 B25 -40.19(7) . . . . ?
B30 B31 C6 B25 -143.05(8) . . . . ?
B29 B31 C6 B30 40.17(7) . . . . ?
B26 B31 C6 B30 102.86(8) . . . . ?
B25 B31 C6 B30 143.05(8) . . . . ?
B28 B25 C6 C5 -3.07(10) . . . . ?
B26 B25 C6 C5 -65.97(9) . . . . ?
B31 B25 C6 C5 -106.42(8) . . . . ?
B24 B25 C6 C5 37.22(7) . . . . ?
B28 B25 C6 B24 -40.29(7) . . . . ?
B26 B25 C6 B24 -103.19(8) . . . . ?
B31 B25 C6 B24 -143.64(8) . . . . ?
B28 B25 C6 B31 103.35(8) . . . . ?
B26 B25 C6 B31 40.45(7) . . . . ?
B24 B25 C6 B31 143.64(8) . . . . ?
B28 B25 C6 B30 66.69(9) . . . . ?
B26 B25 C6 B30 3.79(10) . . . . ?
B31 B25 C6 B30 -36.66(8) . . . . ?
B24 B25 C6 B30 106.98(8) . . . . ?
B13 B30 C6 C5 39.65(6) . . . . ?
B29 B30 C6 C5 102.31(7) . . . . ?
B31 B30 C6 C5 142.77(7) . . . . ?
C5 B30 C6 B24 -34.36(7) . . . . ?
B13 B30 C6 B24 5.29(9) . . . . ?
B29 B30 C6 B24 67.95(9) . . . . ?
B31 B30 C6 B24 108.41(8) . . . . ?
C5 B30 C6 B31 -142.77(7) . . . . ?
B13 B30 C6 B31 -103.12(8) . . . . ?
B29 B30 C6 B31 -40.46(7) . . . . ?
C5 B30 C6 B25 -106.03(8) . . . . ?
B13 B30 C6 B25 -66.38(9) . . . . ?
B29 B30 C6 B25 -3.72(10) . . . . ?
B31 B30 C6 B25 36.74(8) . . . . ?

_refine_diff_density_max         0.358
_refine_diff_density_min         -0.206
_refine_diff_density_rms         0.039

_shelxl_version_number           2013-4


_exptl_crystal_recrystallization_method 'Vapour deposition'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# 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_Me3PSiEt3_HBoCb3
_database_code_depnum_ccdc_archive 'CCDC 2259758'
loop_
_audit_author_name
_audit_author_address
'Sanjay Dutta'
;Department of Chemistry and Biochemistry, Baylor University, Waco Texas
United States of America
;
_audit_update_record             
;
2023-04-28 deposited with the CCDC.	2023-06-21 downloaded from the CCDC.
;
_audit_creation_date             2023-02-02
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
Triscarborane_trimehtylphosphine_triethylsilane
_chemical_formula_moiety         'C6 H34 B31, C9 H24 P Si'
_chemical_formula_sum            'C15 H58 B31 P Si'
_chemical_formula_weight         632.78
_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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      trigonal
_space_group_IT_number           165
_space_group_name_H-M_alt        'P -3 c 1'
_space_group_name_Hall           '-P 3 2"c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'

_cell_length_a                   13.0069(3)
_cell_length_b                   13.0069(3)
_cell_length_c                   25.8322(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     3784.8(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9793
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.08
_cell_measurement_theta_min      2.40
_shelx_estimated_absorpt_T_max   0.984
_shelx_estimated_absorpt_T_min   0.982
_exptl_absorpt_coefficient_mu    0.120
_exptl_absorpt_correction_T_max  0.8620
_exptl_absorpt_correction_T_min  0.8096
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0808 before and 0.0643 after correction.
The Ratio of minimum to maximum transmission is 0.9392.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.111
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1328
_exptl_crystal_preparation       'Vapour diffusion of Dichloromethane on Hexane'
_exptl_crystal_recrystallization_method 'Vapour deposition'
_exptl_crystal_size_max          0.154
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.133
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0498
_diffrn_reflns_av_unetI/netI     0.0136
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            60697
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.675
_diffrn_reflns_theta_min         2.399
_diffrn_ambient_temperature      150.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_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                1925
_reflns_number_total             2404
_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 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.939
_refine_diff_density_min         -0.378
_refine_diff_density_rms         0.064
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.154
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     153
_refine_ls_number_reflns         2404
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0752
_refine_ls_R_factor_gt           0.0550
_refine_ls_restrained_S_all      1.154
_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)+(0.0716P)²+4.8722P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1373
_refine_ls_wR_factor_ref         0.1666
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B)
2.b Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C5(H5A,H5B,H5C)
2.c Boron cage BH refined with riding coordinates:
 B5(H5), B2(H2A), B4(H4), B3(H3), B10(H10), B11(H11), B9(H9), B6(H6), B8(H8),
 B7(H7)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
P1 P 0.666667 0.333333 0.54906(4) 0.0224(3) Uani 1 3 d S T P . .
Si1 Si 0.666667 0.333333 0.63788(4) 0.0201(3) Uani 1 3 d S T P . .
C1 C 0.94892(19) 0.85473(19) 0.37262(8) 0.0208(5) Uani 1 1 d . . . . .
C2 C 0.80292(18) 0.76231(18) 0.37544(8) 0.0211(5) Uani 1 1 d . . . . .
C4 C 0.5186(2) 0.3133(2) 0.65607(9) 0.0273(5) Uani 1 1 d . . . . .
H4A H 0.499297 0.360803 0.632187 0.033 Uiso 1 1 calc R U . . .
H4B H 0.457610 0.228836 0.651340 0.033 Uiso 1 1 calc R U . . .
C3 C 0.6289(2) 0.4383(2) 0.52304(9) 0.0334(6) Uani 1 1 d . . . . .
H3A H 0.688224 0.518562 0.534007 0.050 Uiso 1 1 calc R U . . .
H3B H 0.550507 0.419677 0.535763 0.050 Uiso 1 1 calc R U . . .
H3C H 0.627475 0.433808 0.485155 0.050 Uiso 1 1 calc R U . . .
C5 C 0.5119(2) 0.3497(3) 0.71178(9) 0.0410(7) Uani 1 1 d . . . . .
H5A H 0.539406 0.309858 0.735573 0.061 Uiso 1 1 calc R U . . .
H5B H 0.429605 0.326711 0.720073 0.061 Uiso 1 1 calc R U . . .
H5C H 0.562346 0.435925 0.715362 0.061 Uiso 1 1 calc R U . . .
B5 B 1.0127(2) 0.7903(2) 0.41057(9) 0.0223(5) Uani 1 1 d . . . . .
H5 H 1.098967 0.843245 0.431581 0.027 Uiso 1 1 calc R U . . .
B2 B 1.0075(2) 0.7766(2) 0.34223(9) 0.0235(5) Uani 1 1 d . . . . .
H2A H 1.089781 0.821926 0.317999 0.028 Uiso 1 1 calc R U . . .
B4 B 0.8833(2) 0.7886(2) 0.43098(9) 0.0248(5) Uani 1 1 d . . . . .
H4 H 0.882039 0.841673 0.464888 0.030 Uiso 1 1 calc R U . . .
B3 B 0.8723(2) 0.7602(2) 0.32016(9) 0.0242(5) Uani 1 1 d . . . . .
H3 H 0.863474 0.794243 0.281552 0.029 Uiso 1 1 calc R U . . .
B10 B 0.8959(2) 0.6600(2) 0.43783(10) 0.0282(6) Uani 1 1 d . . . . .
H10 H 0.903623 0.626774 0.476819 0.034 Uiso 1 1 calc R U . . .
B1 B 1.000000 1.000000 0.35640(16) 0.0240(9) Uani 1 3 d S T P . .
B11 B 0.8170(2) 0.5606(2) 0.38617(11) 0.0307(6) Uani 1 1 d . . . . .
H11 H 0.772844 0.461987 0.391170 0.037 Uiso 1 1 calc R U . . .
B9 B 0.7605(2) 0.6458(2) 0.41570(10) 0.0275(6) Uani 1 1 d . . . . .
H9 H 0.677846 0.604531 0.439776 0.033 Uiso 1 1 calc R U . . .
B6 B 0.7546(2) 0.6279(2) 0.34696(10) 0.0271(6) Uani 1 1 d . . . . .
H6 H 0.668395 0.574614 0.325962 0.033 Uiso 1 1 calc R U . . .
B8 B 0.9733(2) 0.6517(2) 0.38228(10) 0.0268(6) Uani 1 1 d . . . . .
H8 H 1.032933 0.612699 0.384274 0.032 Uiso 1 1 calc R U . . .
B7 B 0.8867(2) 0.6328(2) 0.32669(11) 0.0305(6) Uani 1 1 d . . . . .
H7 H 0.888945 0.581737 0.292213 0.037 Uiso 1 1 calc R U . . .
H1 H 1.000000 1.000000 0.3124(16) 0.023(11) Uiso 1 3 d S . P . .
H2 H 0.756(2) 0.799(2) 0.3731(9) 0.020(6) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
P1 Si1 2.2946(13) . ?
P1 C3 1.796(2) . ?
P1 C3 1.796(2) 3_665 ?
P1 C3 1.796(2) 2_655 ?
Si1 C4 1.870(2) 2_655 ?
Si1 C4 1.870(2) 3_665 ?
Si1 C4 1.870(2) . ?
C1 C2 1.665(3) . ?
C1 B5 1.746(3) . ?
C1 B2 1.733(3) . ?
C1 B4 1.734(3) . ?
C1 B3 1.765(3) . ?
C1 B1 1.712(2) . ?
C2 B4 1.706(3) . ?
C2 B3 1.697(3) . ?
C2 B9 1.687(3) . ?
C2 B6 1.701(3) . ?
C2 H2 0.94(2) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C5 1.531(3) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
B5 H5 1.1200 . ?
B5 B2 1.772(3) . ?
B5 B4 1.755(3) . ?
B5 B10 1.761(3) . ?
B5 B8 1.767(3) . ?
B2 H2A 1.1200 . ?
B2 B3 1.757(3) . ?
B2 B8 1.785(3) . ?
B2 B7 1.786(4) . ?
B4 H4 1.1200 . ?
B4 B10 1.770(4) . ?
B4 B9 1.786(4) . ?
B3 H3 1.1200 . ?
B3 B6 1.775(4) . ?
B3 B7 1.767(4) . ?
B10 H10 1.1200 . ?
B10 B11 1.783(4) . ?
B10 B9 1.771(4) . ?
B10 B8 1.787(4) . ?
B1 H1 1.14(4) . ?
B11 H11 1.1200 . ?
B11 B9 1.779(4) . ?
B11 B6 1.778(4) . ?
B11 B8 1.771(4) . ?
B11 B7 1.793(4) . ?
B9 H9 1.1200 . ?
B9 B6 1.787(4) . ?
B6 H6 1.1200 . ?
B6 B7 1.767(4) . ?
B8 H8 1.1200 . ?
B8 B7 1.765(4) . ?
B7 H7 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
C3 P1 Si1 111.98(8) 3_665 . ?
C3 P1 Si1 111.98(8) 2_655 . ?
C3 P1 Si1 111.98(8) . . ?
C3 P1 C3 106.86(9) 3_665 2_655 ?
C3 P1 C3 106.85(9) 3_665 . ?
C3 P1 C3 106.85(9) 2_655 . ?
C4 Si1 P1 104.55(7) 2_655 . ?
C4 Si1 P1 104.55(7) . . ?
C4 Si1 P1 104.55(7) 3_665 . ?
C4 Si1 C4 113.91(6) 3_665 . ?
C4 Si1 C4 113.91(6) 2_655 . ?
C4 Si1 C4 113.91(6) 2_655 3_665 ?
C2 C1 B5 105.85(16) . . ?
C2 C1 B2 105.87(16) . . ?
C2 C1 B4 60.20(13) . . ?
C2 C1 B3 59.19(13) . . ?
C2 C1 B1 118.71(14) . . ?
B5 C1 B3 109.58(16) . . ?
B2 C1 B5 61.25(13) . . ?
B2 C1 B4 110.80(17) . . ?
B2 C1 B3 60.30(13) . . ?
B4 C1 B5 60.55(13) . . ?
B4 C1 B3 110.82(16) . . ?
B1 C1 B5 130.69(17) . . ?
B1 C1 B2 119.63(17) . . ?
B1 C1 B4 125.7(2) . . ?
B1 C1 B3 110.67(19) . . ?
C1 C2 B4 61.89(13) . . ?
C1 C2 B3 63.34(13) . . ?
C1 C2 B9 114.70(17) . . ?
C1 C2 B6 115.15(17) . . ?
C1 C2 H2 115.3(14) . . ?
B4 C2 H2 116.0(14) . . ?
B3 C2 B4 115.71(17) . . ?
B3 C2 B6 62.98(14) . . ?
B3 C2 H2 116.0(14) . . ?
B9 C2 B4 63.53(14) . . ?
B9 C2 B3 116.22(18) . . ?
B9 C2 B6 63.67(15) . . ?
B9 C2 H2 119.1(14) . . ?
B6 C2 B4 116.39(17) . . ?
B6 C2 H2 119.2(14) . . ?
Si1 C4 H4A 108.7 . . ?
Si1 C4 H4B 108.7 . . ?
H4A C4 H4B 107.6 . . ?
C5 C4 Si1 114.03(17) . . ?
C5 C4 H4A 108.7 . . ?
C5 C4 H4B 108.7 . . ?
P1 C3 H3A 109.5 . . ?
P1 C3 H3B 109.5 . . ?
P1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C1 B5 H5 123.1 . . ?
C1 B5 B2 59.00(12) . . ?
C1 B5 B4 59.38(13) . . ?
C1 B5 B10 107.33(17) . . ?
C1 B5 B8 107.00(16) . . ?
B2 B5 H5 121.4 . . ?
B4 B5 H5 121.4 . . ?
B4 B5 B2 108.01(16) . . ?
B4 B5 B10 60.47(15) . . ?
B4 B5 B8 108.95(18) . . ?
B10 B5 H5 121.0 . . ?
B10 B5 B2 109.29(17) . . ?
B10 B5 B8 60.86(15) . . ?
B8 B5 H5 121.3 . . ?
B8 B5 B2 60.58(14) . . ?
C1 B2 B5 59.76(13) . . ?
C1 B2 H2A 122.0 . . ?
C1 B2 B3 60.77(13) . . ?
C1 B2 B8 106.79(17) . . ?
C1 B2 B7 107.57(17) . . ?
B5 B2 H2A 121.7 . . ?
B5 B2 B8 59.56(14) . . ?
B5 B2 B7 107.37(18) . . ?
B3 B2 B5 108.76(17) . . ?
B3 B2 H2A 121.2 . . ?
B3 B2 B8 107.40(18) . . ?
B3 B2 B7 59.82(14) . . ?
B8 B2 H2A 122.7 . . ?
B8 B2 B7 59.24(15) . . ?
B7 B2 H2A 122.3 . . ?
C1 B4 B5 60.07(13) . . ?
C1 B4 H4 122.0 . . ?
C1 B4 B10 107.46(18) . . ?
C1 B4 B9 106.62(17) . . ?
C2 B4 C1 57.91(12) . . ?
C2 B4 B5 103.75(16) . . ?
C2 B4 H4 125.8 . . ?
C2 B4 B10 103.38(18) . . ?
C2 B4 B9 57.73(13) . . ?
B5 B4 H4 122.5 . . ?
B5 B4 B10 59.94(14) . . ?
B5 B4 B9 107.41(18) . . ?
B10 B4 H4 122.7 . . ?
B10 B4 B9 59.73(15) . . ?
B9 B4 H4 122.2 . . ?
C1 B3 H3 122.8 . . ?
C1 B3 B6 106.79(16) . . ?
C1 B3 B7 106.98(17) . . ?
C2 B3 C1 57.48(12) . . ?
C2 B3 B2 103.46(16) . . ?
C2 B3 H3 125.7 . . ?
C2 B3 B6 58.64(13) . . ?
C2 B3 B7 103.98(18) . . ?
B2 B3 C1 58.93(13) . . ?
B2 B3 H3 122.3 . . ?
B2 B3 B6 108.46(18) . . ?
B2 B3 B7 60.89(14) . . ?
B6 B3 H3 121.4 . . ?
B7 B3 H3 122.4 . . ?
B7 B3 B6 59.86(15) . . ?
B5 B10 B4 59.58(14) . . ?
B5 B10 H10 122.0 . . ?
B5 B10 B11 107.78(18) . . ?
B5 B10 B9 107.81(17) . . ?
B5 B10 B8 59.73(14) . . ?
B4 B10 H10 121.5 . . ?
B4 B10 B11 108.59(18) . . ?
B4 B10 B9 60.58(14) . . ?
B4 B10 B8 107.35(17) . . ?
B11 B10 H10 121.6 . . ?
B11 B10 B8 59.50(15) . . ?
B9 B10 H10 121.7 . . ?
B9 B10 B11 60.07(15) . . ?
B9 B10 B8 107.18(18) . . ?
B8 B10 H10 122.5 . . ?
C1 B1 C1 114.22(12) . 3_675 ?
C1 B1 C1 114.22(12) 2_765 3_675 ?
C1 B1 C1 114.21(12) . 2_765 ?
C1 B1 H1 104.17(15) 2_765 . ?
C1 B1 H1 104.17(15) . . ?
C1 B1 H1 104.17(15) 3_675 . ?
B10 B11 H11 121.6 . . ?
B10 B11 B7 107.73(18) . . ?
B9 B11 B10 59.63(15) . . ?
B9 B11 H11 121.9 . . ?
B9 B11 B7 107.41(18) . . ?
B6 B11 B10 107.95(18) . . ?
B6 B11 H11 122.0 . . ?
B6 B11 B9 60.33(14) . . ?
B6 B11 B7 59.32(15) . . ?
B8 B11 B10 60.36(15) . . ?
B8 B11 H11 122.2 . . ?
B8 B11 B9 107.51(18) . . ?
B8 B11 B6 106.99(18) . . ?
B8 B11 B7 59.35(15) . . ?
B7 B11 H11 122.3 . . ?
C2 B9 B4 58.74(13) . . ?
C2 B9 B10 104.12(17) . . ?
C2 B9 B11 104.13(18) . . ?
C2 B9 H9 125.2 . . ?
C2 B9 B6 58.54(14) . . ?
B4 B9 H9 121.4 . . ?
B4 B9 B6 108.24(17) . . ?
B10 B9 B4 59.69(14) . . ?
B10 B9 B11 60.30(15) . . ?
B10 B9 H9 122.5 . . ?
B10 B9 B6 108.07(18) . . ?
B11 B9 B4 108.07(18) . . ?
B11 B9 H9 122.4 . . ?
B11 B9 B6 59.82(15) . . ?
B6 B9 H9 121.4 . . ?
C2 B6 B3 58.38(13) . . ?
C2 B6 B11 103.57(17) . . ?
C2 B6 B9 57.79(13) . . ?
C2 B6 H6 125.9 . . ?
C2 B6 B7 103.76(17) . . ?
B3 B6 B11 108.35(18) . . ?
B3 B6 B9 107.52(17) . . ?
B3 B6 H6 121.5 . . ?
B11 B6 B9 59.85(15) . . ?
B11 B6 H6 122.2 . . ?
B9 B6 H6 121.8 . . ?
B7 B6 B3 59.84(15) . . ?
B7 B6 B11 60.74(16) . . ?
B7 B6 B9 108.16(18) . . ?
B7 B6 H6 122.2 . . ?
B5 B8 B2 59.86(13) . . ?
B5 B8 B10 59.41(14) . . ?
B5 B8 B11 108.04(18) . . ?
B5 B8 H8 122.0 . . ?
B2 B8 B10 107.56(17) . . ?
B2 B8 H8 121.7 . . ?
B10 B8 H8 121.9 . . ?
B11 B8 B2 108.78(18) . . ?
B11 B8 B10 60.14(15) . . ?
B11 B8 H8 121.2 . . ?
B7 B8 B5 108.54(17) . . ?
B7 B8 B2 60.40(15) . . ?
B7 B8 B10 108.80(19) . . ?
B7 B8 B11 60.93(16) . . ?
B7 B8 H8 120.8 . . ?
B2 B7 B11 107.80(18) . . ?
B2 B7 H7 122.0 . . ?
B3 B7 B2 59.29(14) . . ?
B3 B7 B11 108.07(18) . . ?
B3 B7 B6 60.30(15) . . ?
B3 B7 H7 121.8 . . ?
B11 B7 H7 121.8 . . ?
B6 B7 B2 107.54(17) . . ?
B6 B7 B11 59.94(15) . . ?
B6 B7 H7 121.8 . . ?
B8 B7 B2 60.37(14) . . ?
B8 B7 B3 107.88(18) . . ?
B8 B7 B11 59.72(15) . . ?
B8 B7 B6 107.78(19) . . ?
B8 B7 H7 121.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P1 Si1 C4 C5 -161.35(17) . . . . ?
C1 C2 B4 B5 -40.56(15) . . . . ?
C1 C2 B4 B10 -102.40(18) . . . . ?
C1 C2 B4 B9 -142.67(18) . . . . ?
C1 C2 B3 B2 38.55(15) . . . . ?
C1 C2 B3 B6 142.17(17) . . . . ?
C1 C2 B3 B7 101.43(17) . . . . ?
C1 C2 B9 B4 36.06(17) . . . . ?
C1 C2 B9 B10 -4.3(2) . . . . ?
C1 C2 B9 B11 -66.7(2) . . . . ?
C1 C2 B9 B6 -107.12(19) . . . . ?
C1 C2 B6 B3 -37.27(17) . . . . ?
C1 C2 B6 B11 66.1(2) . . . . ?
C1 C2 B6 B9 106.42(19) . . . . ?
C1 C2 B6 B7 3.4(2) . . . . ?
C1 B5 B2 B3 -37.34(16) . . . . ?
C1 B5 B2 B8 -136.93(18) . . . . ?
C1 B5 B2 B7 -100.59(18) . . . . ?
C1 B5 B4 C2 39.47(15) . . . . ?
C1 B5 B4 B10 137.15(18) . . . . ?
C1 B5 B4 B9 99.52(17) . . . . ?
C1 B5 B10 B4 -37.81(16) . . . . ?
C1 B5 B10 B11 63.7(2) . . . . ?
C1 B5 B10 B9 0.3(2) . . . . ?
C1 B5 B10 B8 100.18(18) . . . . ?
C1 B5 B8 B2 37.74(16) . . . . ?
C1 B5 B8 B10 -100.73(18) . . . . ?
C1 B5 B8 B11 -63.9(2) . . . . ?
C1 B5 B8 B7 0.6(2) . . . . ?
C1 B2 B3 C2 -37.84(15) . . . . ?
C1 B2 B3 B6 -98.88(18) . . . . ?
C1 B2 B3 B7 -136.53(18) . . . . ?
C1 B2 B8 B5 -38.04(16) . . . . ?
C1 B2 B8 B10 -1.3(2) . . . . ?
C1 B2 B8 B11 62.4(2) . . . . ?
C1 B2 B8 B7 100.80(19) . . . . ?
C1 B2 B7 B3 39.03(16) . . . . ?
C1 B2 B7 B11 -61.8(2) . . . . ?
C1 B2 B7 B6 1.4(2) . . . . ?
C1 B2 B7 B8 -99.45(18) . . . . ?
C1 B4 B10 B5 38.16(16) . . . . ?
C1 B4 B10 B11 -62.0(2) . . . . ?
C1 B4 B10 B9 -99.42(18) . . . . ?
C1 B4 B10 B8 0.9(2) . . . . ?
C1 B4 B9 C2 -32.42(16) . . . . ?
C1 B4 B9 B10 100.85(19) . . . . ?
C1 B4 B9 B11 63.5(2) . . . . ?
C1 B4 B9 B6 0.1(2) . . . . ?
C1 B3 B6 C2 32.69(15) . . . . ?
C1 B3 B6 B11 -62.2(2) . . . . ?
C1 B3 B6 B9 1.0(2) . . . . ?
C1 B3 B6 B7 -100.23(18) . . . . ?
C1 B3 B7 B2 -38.04(16) . . . . ?
C1 B3 B7 B11 62.3(2) . . . . ?
C1 B3 B7 B6 99.90(17) . . . . ?
C1 B3 B7 B8 -0.8(2) . . . . ?
C2 C1 B5 B2 99.70(17) . . . . ?
C2 C1 B5 B4 -41.10(15) . . . . ?
C2 C1 B5 B10 -2.8(2) . . . . ?
C2 C1 B5 B8 61.2(2) . . . . ?
C2 C1 B2 B5 -99.66(17) . . . . ?
C2 C1 B2 B3 39.18(15) . . . . ?
C2 C1 B2 B8 -61.71(19) . . . . ?
C2 C1 B2 B7 0.6(2) . . . . ?
C2 C1 B4 B5 133.22(17) . . . . ?
C2 C1 B4 B10 95.11(19) . . . . ?
C2 C1 B4 B9 32.35(15) . . . . ?
C2 C1 B3 B2 -134.96(17) . . . . ?
C2 C1 B3 B6 -33.16(15) . . . . ?
C2 C1 B3 B7 -96.02(19) . . . . ?
C2 C1 B1 C1 28.0(4) . . . 3_675 ?
C2 C1 B1 C1 162.01(15) . . . 2_765 ?
C2 B4 B10 B5 98.32(17) . . . . ?
C2 B4 B10 B11 -1.8(2) . . . . ?
C2 B4 B10 B9 -39.26(16) . . . . ?
C2 B4 B10 B8 61.1(2) . . . . ?
C2 B4 B9 B10 133.27(19) . . . . ?
C2 B4 B9 B11 95.87(19) . . . . ?
C2 B4 B9 B6 32.57(16) . . . . ?
C2 B3 B6 B11 -94.94(19) . . . . ?
C2 B3 B6 B9 -31.70(16) . . . . ?
C2 B3 B6 B7 -132.92(18) . . . . ?
C2 B3 B7 B2 -97.82(17) . . . . ?
C2 B3 B7 B11 2.6(2) . . . . ?
C2 B3 B7 B6 40.12(16) . . . . ?
C2 B3 B7 B8 -60.6(2) . . . . ?
C2 B9 B6 B3 31.93(16) . . . . ?
C2 B9 B6 B11 133.37(18) . . . . ?
C2 B9 B6 B7 95.12(19) . . . . ?
C2 B6 B7 B2 -2.8(2) . . . . ?
C2 B6 B7 B3 -39.94(16) . . . . ?
C2 B6 B7 B11 98.03(18) . . . . ?
C2 B6 B7 B8 60.9(2) . . . . ?
C4 Si1 C4 C5 -47.8(2) 3_665 . . . ?
C4 Si1 C4 C5 85.14(17) 2_655 . . . ?
B5 C1 C2 B4 41.28(16) . . . . ?
B5 C1 C2 B3 -103.67(17) . . . . ?
B5 C1 C2 B9 4.6(2) . . . . ?
B5 C1 C2 B6 -66.5(2) . . . . ?
B5 C1 B2 B3 138.85(18) . . . . ?
B5 C1 B2 B8 37.95(16) . . . . ?
B5 C1 B2 B7 100.25(19) . . . . ?
B5 C1 B4 C2 -133.22(17) . . . . ?
B5 C1 B4 B10 -38.10(16) . . . . ?
B5 C1 B4 B9 -100.87(19) . . . . ?
B5 C1 B3 C2 97.20(18) . . . . ?
B5 C1 B3 B2 -37.76(16) . . . . ?
B5 C1 B3 B6 64.0(2) . . . . ?
B5 C1 B3 B7 1.2(2) . . . . ?
B5 C1 B1 C1 10.2(4) . . . 2_765 ?
B5 C1 B1 C1 -123.89(16) . . . 3_675 ?
B5 B2 B3 C1 36.90(15) . . . . ?
B5 B2 B3 C2 -0.9(2) . . . . ?
B5 B2 B3 B6 -62.0(2) . . . . ?
B5 B2 B3 B7 -99.63(19) . . . . ?
B5 B2 B8 B10 36.77(17) . . . . ?
B5 B2 B8 B11 100.4(2) . . . . ?
B5 B2 B8 B7 138.84(19) . . . . ?
B5 B2 B7 B3 102.00(18) . . . . ?
B5 B2 B7 B11 1.2(2) . . . . ?
B5 B2 B7 B6 64.4(2) . . . . ?
B5 B2 B7 B8 -36.48(16) . . . . ?
B5 B4 B10 B11 -100.15(19) . . . . ?
B5 B4 B10 B9 -137.58(17) . . . . ?
B5 B4 B10 B8 -37.27(16) . . . . ?
B5 B4 B9 C2 -95.54(18) . . . . ?
B5 B4 B9 B10 37.73(16) . . . . ?
B5 B4 B9 B11 0.3(2) . . . . ?
B5 B4 B9 B6 -63.0(2) . . . . ?
B5 B10 B11 B9 -100.72(19) . . . . ?
B5 B10 B11 B6 -63.2(2) . . . . ?
B5 B10 B11 B8 36.56(17) . . . . ?
B5 B10 B11 B7 -0.5(2) . . . . ?
B5 B10 B9 C2 2.3(2) . . . . ?
B5 B10 B9 B4 -37.66(16) . . . . ?
B5 B10 B9 B11 100.7(2) . . . . ?
B5 B10 B9 B6 63.3(2) . . . . ?
B5 B10 B8 B2 -36.97(16) . . . . ?
B5 B10 B8 B11 -138.95(18) . . . . ?
B5 B10 B8 B7 -100.89(19) . . . . ?
B5 B8 B7 B2 36.89(17) . . . . ?
B5 B8 B7 B3 0.1(2) . . . . ?
B5 B8 B7 B11 -100.8(2) . . . . ?
B5 B8 B7 B6 -63.6(2) . . . . ?
B2 C1 C2 B4 105.23(17) . . . . ?
B2 C1 C2 B3 -39.72(15) . . . . ?
B2 C1 C2 B9 68.5(2) . . . . ?
B2 C1 C2 B6 -2.6(2) . . . . ?
B2 C1 B5 B4 -140.80(18) . . . . ?
B2 C1 B5 B10 -102.49(18) . . . . ?
B2 C1 B5 B8 -38.47(17) . . . . ?
B2 C1 B4 C2 -96.86(18) . . . . ?
B2 C1 B4 B5 36.35(16) . . . . ?
B2 C1 B4 B10 -1.7(2) . . . . ?
B2 C1 B4 B9 -64.5(2) . . . . ?
B2 C1 B3 C2 134.96(17) . . . . ?
B2 C1 B3 B6 101.80(19) . . . . ?
B2 C1 B3 B7 38.94(17) . . . . ?
B2 C1 B1 C1 -65.9(3) . . . 2_765 ?
B2 C1 B1 C1 160.04(19) . . . 3_675 ?
B2 B5 B4 C1 -34.73(16) . . . . ?
B2 B5 B4 C2 4.7(2) . . . . ?
B2 B5 B4 B10 102.42(19) . . . . ?
B2 B5 B4 B9 64.8(2) . . . . ?
B2 B5 B10 B4 -100.27(18) . . . . ?
B2 B5 B10 B11 1.3(2) . . . . ?
B2 B5 B10 B9 -62.2(2) . . . . ?
B2 B5 B10 B8 37.73(16) . . . . ?
B2 B5 B8 B10 -138.47(18) . . . . ?
B2 B5 B8 B11 -101.67(19) . . . . ?
B2 B5 B8 B7 -37.13(17) . . . . ?
B2 B3 B6 C2 94.82(18) . . . . ?
B2 B3 B6 B11 -0.1(2) . . . . ?
B2 B3 B6 B9 63.1(2) . . . . ?
B2 B3 B6 B7 -38.10(16) . . . . ?
B2 B3 B7 B11 100.38(19) . . . . ?
B2 B3 B7 B6 137.94(17) . . . . ?
B2 B3 B7 B8 37.26(17) . . . . ?
B2 B8 B7 B3 -36.79(17) . . . . ?
B2 B8 B7 B11 -137.69(19) . . . . ?
B2 B8 B7 B6 -100.47(19) . . . . ?
B4 C1 C2 B3 -144.95(18) . . . . ?
B4 C1 C2 B9 -36.69(18) . . . . ?
B4 C1 C2 B6 -107.8(2) . . . . ?
B4 C1 B5 B2 140.80(18) . . . . ?
B4 C1 B5 B10 38.31(17) . . . . ?
B4 C1 B5 B8 102.33(19) . . . . ?
B4 C1 B2 B5 -36.07(16) . . . . ?
B4 C1 B2 B3 102.78(18) . . . . ?
B4 C1 B2 B8 1.9(2) . . . . ?
B4 C1 B2 B7 64.2(2) . . . . ?
B4 C1 B3 C2 32.22(17) . . . . ?
B4 C1 B3 B2 -102.74(18) . . . . ?
B4 C1 B3 B6 -0.9(2) . . . . ?
B4 C1 B3 B7 -63.8(2) . . . . ?
B4 C1 B1 C1 -44.3(3) . . . 3_675 ?
B4 C1 B1 C1 89.7(2) . . . 2_765 ?
B4 C2 B3 C1 -34.21(17) . . . . ?
B4 C2 B3 B2 4.3(2) . . . . ?
B4 C2 B3 B6 108.0(2) . . . . ?
B4 C2 B3 B7 67.2(2) . . . . ?
B4 C2 B9 B10 -40.41(17) . . . . ?
B4 C2 B9 B11 -102.79(19) . . . . ?
B4 C2 B9 B6 -143.18(18) . . . . ?
B4 C2 B6 B3 -106.9(2) . . . . ?
B4 C2 B6 B11 -3.5(2) . . . . ?
B4 C2 B6 B9 36.79(18) . . . . ?
B4 C2 B6 B7 -66.2(2) . . . . ?
B4 B5 B2 C1 34.89(16) . . . . ?
B4 B5 B2 B3 -2.4(2) . . . . ?
B4 B5 B2 B8 -102.04(19) . . . . ?
B4 B5 B2 B7 -65.7(2) . . . . ?
B4 B5 B10 B11 101.54(19) . . . . ?
B4 B5 B10 B9 38.11(17) . . . . ?
B4 B5 B10 B8 137.99(18) . . . . ?
B4 B5 B8 B2 100.47(18) . . . . ?
B4 B5 B8 B10 -38.00(16) . . . . ?
B4 B5 B8 B11 -1.2(2) . . . . ?
B4 B5 B8 B7 63.3(2) . . . . ?
B4 B10 B11 B9 -37.66(17) . . . . ?
B4 B10 B11 B6 -0.1(2) . . . . ?
B4 B10 B11 B8 99.62(19) . . . . ?
B4 B10 B11 B7 62.5(2) . . . . ?
B4 B10 B9 C2 39.93(16) . . . . ?
B4 B10 B9 B11 138.34(19) . . . . ?
B4 B10 B9 B6 100.99(19) . . . . ?
B4 B10 B8 B5 37.20(17) . . . . ?
B4 B10 B8 B2 0.2(2) . . . . ?
B4 B10 B8 B11 -101.7(2) . . . . ?
B4 B10 B8 B7 -63.7(2) . . . . ?
B4 B9 B6 C2 -32.64(16) . . . . ?
B4 B9 B6 B3 -0.7(2) . . . . ?
B4 B9 B6 B11 100.73(19) . . . . ?
B4 B9 B6 B7 62.5(2) . . . . ?
B3 C1 C2 B4 144.95(18) . . . . ?
B3 C1 C2 B9 108.3(2) . . . . ?
B3 C1 C2 B6 37.13(17) . . . . ?
B3 C1 B5 B2 37.35(16) . . . . ?
B3 C1 B5 B4 -103.44(18) . . . . ?
B3 C1 B5 B10 -65.1(2) . . . . ?
B3 C1 B5 B8 -1.1(2) . . . . ?
B3 C1 B2 B5 -138.85(18) . . . . ?
B3 C1 B2 B8 -100.90(19) . . . . ?
B3 C1 B2 B7 -38.60(16) . . . . ?
B3 C1 B4 C2 -31.86(16) . . . . ?
B3 C1 B4 B5 101.36(18) . . . . ?
B3 C1 B4 B10 63.3(2) . . . . ?
B3 C1 B4 B9 0.5(2) . . . . ?
B3 C1 B1 C1 93.3(3) . . . 3_675 ?
B3 C1 B1 C1 -132.7(2) . . . 2_765 ?
B3 C2 B4 C1 34.73(17) . . . . ?
B3 C2 B4 B5 -5.8(2) . . . . ?
B3 C2 B4 B10 -67.7(2) . . . . ?
B3 C2 B4 B9 -107.9(2) . . . . ?
B3 C2 B9 B4 107.2(2) . . . . ?
B3 C2 B9 B10 66.7(2) . . . . ?
B3 C2 B9 B11 4.4(2) . . . . ?
B3 C2 B9 B6 -36.03(18) . . . . ?
B3 C2 B6 B11 103.39(19) . . . . ?
B3 C2 B6 B9 143.68(18) . . . . ?
B3 C2 B6 B7 40.68(17) . . . . ?
B3 B2 B8 B5 -101.94(18) . . . . ?
B3 B2 B8 B10 -65.2(2) . . . . ?
B3 B2 B8 B11 -1.5(2) . . . . ?
B3 B2 B8 B7 36.90(17) . . . . ?
B3 B2 B7 B11 -100.85(19) . . . . ?
B3 B2 B7 B6 -37.61(16) . . . . ?
B3 B2 B7 B8 -138.48(19) . . . . ?
B3 B6 B7 B2 37.16(16) . . . . ?
B3 B6 B7 B11 137.97(18) . . . . ?
B3 B6 B7 B8 100.85(19) . . . . ?
B10 B5 B2 C1 99.09(19) . . . . ?
B10 B5 B2 B3 61.7(2) . . . . ?
B10 B5 B2 B8 -37.84(17) . . . . ?
B10 B5 B2 B7 -1.5(2) . . . . ?
B10 B5 B4 C1 -137.15(18) . . . . ?
B10 B5 B4 C2 -97.68(19) . . . . ?
B10 B5 B4 B9 -37.63(16) . . . . ?
B10 B5 B8 B2 138.47(18) . . . . ?
B10 B5 B8 B11 36.80(17) . . . . ?
B10 B5 B8 B7 101.3(2) . . . . ?
B10 B4 B9 C2 -133.27(19) . . . . ?
B10 B4 B9 B11 -37.40(17) . . . . ?
B10 B4 B9 B6 -100.7(2) . . . . ?
B10 B11 B9 C2 98.40(18) . . . . ?
B10 B11 B9 B4 37.13(17) . . . . ?
B10 B11 B9 B6 138.15(19) . . . . ?
B10 B11 B6 C2 2.0(2) . . . . ?
B10 B11 B6 B3 62.8(2) . . . . ?
B10 B11 B6 B9 -37.23(17) . . . . ?
B10 B11 B6 B7 100.4(2) . . . . ?
B10 B11 B8 B5 -36.48(17) . . . . ?
B10 B11 B8 B2 -99.92(19) . . . . ?
B10 B11 B8 B7 -138.11(19) . . . . ?
B10 B11 B7 B2 -0.4(2) . . . . ?
B10 B11 B7 B3 -63.0(2) . . . . ?
B10 B11 B7 B6 -100.75(19) . . . . ?
B10 B11 B7 B8 37.53(17) . . . . ?
B10 B9 B6 C2 -95.81(19) . . . . ?
B10 B9 B6 B3 -63.9(2) . . . . ?
B10 B9 B6 B11 37.56(17) . . . . ?
B10 B9 B6 B7 -0.7(2) . . . . ?
B10 B8 B7 B2 99.97(19) . . . . ?
B10 B8 B7 B3 63.2(2) . . . . ?
B10 B8 B7 B11 -37.71(17) . . . . ?
B10 B8 B7 B6 -0.5(2) . . . . ?
B1 C1 C2 B4 -116.9(2) . . . . ?
B1 C1 C2 B3 98.2(2) . . . . ?
B1 C1 C2 B9 -153.6(2) . . . . ?
B1 C1 C2 B6 135.3(2) . . . . ?
B1 C1 B5 B2 -105.8(3) . . . . ?
B1 C1 B5 B4 113.4(3) . . . . ?
B1 C1 B5 B10 151.7(2) . . . . ?
B1 C1 B5 B8 -144.2(2) . . . . ?
B1 C1 B2 B5 122.9(2) . . . . ?
B1 C1 B2 B3 -98.2(2) . . . . ?
B1 C1 B2 B8 160.87(19) . . . . ?
B1 C1 B2 B7 -136.8(2) . . . . ?
B1 C1 B4 C2 105.7(2) . . . . ?
B1 C1 B4 B5 -121.1(2) . . . . ?
B1 C1 B4 B10 -159.20(17) . . . . ?
B1 C1 B4 B9 138.04(18) . . . . ?
B1 C1 B3 C2 -111.89(16) . . . . ?
B1 C1 B3 B2 113.15(17) . . . . ?
B1 C1 B3 B6 -145.05(16) . . . . ?
B1 C1 B3 B7 152.09(16) . . . . ?
B11 B10 B9 C2 -98.41(19) . . . . ?
B11 B10 B9 B4 -138.34(19) . . . . ?
B11 B10 B9 B6 -37.35(17) . . . . ?
B11 B10 B8 B5 138.95(18) . . . . ?
B11 B10 B8 B2 101.98(19) . . . . ?
B11 B10 B8 B7 38.06(17) . . . . ?
B11 B9 B6 C2 -133.37(18) . . . . ?
B11 B9 B6 B3 -101.4(2) . . . . ?
B11 B9 B6 B7 -38.25(18) . . . . ?
B11 B6 B7 B2 -100.81(19) . . . . ?
B11 B6 B7 B3 -137.97(18) . . . . ?
B11 B6 B7 B8 -37.12(17) . . . . ?
B11 B8 B7 B2 137.69(19) . . . . ?
B11 B8 B7 B3 100.9(2) . . . . ?
B11 B8 B7 B6 37.21(17) . . . . ?
B9 C2 B4 C1 142.67(18) . . . . ?
B9 C2 B4 B5 102.11(19) . . . . ?
B9 C2 B4 B10 40.27(17) . . . . ?
B9 C2 B3 C1 -105.89(19) . . . . ?
B9 C2 B3 B2 -67.3(2) . . . . ?
B9 C2 B3 B6 36.28(18) . . . . ?
B9 C2 B3 B7 -4.5(2) . . . . ?
B9 C2 B6 B3 -143.68(18) . . . . ?
B9 C2 B6 B11 -40.29(17) . . . . ?
B9 C2 B6 B7 -103.00(19) . . . . ?
B9 B4 B10 B5 137.58(17) . . . . ?
B9 B4 B10 B11 37.43(17) . . . . ?
B9 B4 B10 B8 100.31(19) . . . . ?
B9 B10 B11 B6 37.54(17) . . . . ?
B9 B10 B11 B8 137.27(18) . . . . ?
B9 B10 B11 B7 100.18(19) . . . . ?
B9 B10 B8 B5 100.97(19) . . . . ?
B9 B10 B8 B2 64.0(2) . . . . ?
B9 B10 B8 B11 -37.99(17) . . . . ?
B9 B10 B8 B7 0.1(2) . . . . ?
B9 B11 B6 C2 39.25(16) . . . . ?
B9 B11 B6 B3 100.03(19) . . . . ?
B9 B11 B6 B7 137.61(19) . . . . ?
B9 B11 B8 B5 1.4(2) . . . . ?
B9 B11 B8 B2 -62.1(2) . . . . ?
B9 B11 B8 B10 37.87(17) . . . . ?
B9 B11 B8 B7 -100.2(2) . . . . ?
B9 B11 B7 B2 62.5(2) . . . . ?
B9 B11 B7 B3 -0.2(2) . . . . ?
B9 B11 B7 B6 -37.88(17) . . . . ?
B9 B11 B7 B8 100.4(2) . . . . ?
B9 B6 B7 B2 -63.0(2) . . . . ?
B9 B6 B7 B3 -100.12(19) . . . . ?
B9 B6 B7 B11 37.85(17) . . . . ?
B9 B6 B7 B8 0.7(2) . . . . ?
B6 C2 B4 C1 105.83(19) . . . . ?
B6 C2 B4 B5 65.3(2) . . . . ?
B6 C2 B4 B10 3.4(2) . . . . ?
B6 C2 B4 B9 -36.84(18) . . . . ?
B6 C2 B3 C1 -142.17(17) . . . . ?
B6 C2 B3 B2 -103.62(19) . . . . ?
B6 C2 B3 B7 -40.74(16) . . . . ?
B6 C2 B9 B4 143.18(18) . . . . ?
B6 C2 B9 B10 102.77(19) . . . . ?
B6 C2 B9 B11 40.39(17) . . . . ?
B6 B3 B7 B2 -137.94(17) . . . . ?
B6 B3 B7 B11 -37.55(17) . . . . ?
B6 B3 B7 B8 -100.7(2) . . . . ?
B6 B11 B9 C2 -39.75(16) . . . . ?
B6 B11 B9 B4 -101.02(19) . . . . ?
B6 B11 B9 B10 -138.15(19) . . . . ?
B6 B11 B8 B5 64.9(2) . . . . ?
B6 B11 B8 B2 1.4(2) . . . . ?
B6 B11 B8 B10 101.4(2) . . . . ?
B6 B11 B8 B7 -36.76(17) . . . . ?
B6 B11 B7 B2 100.36(19) . . . . ?
B6 B11 B7 B3 37.71(17) . . . . ?
B6 B11 B7 B8 138.28(19) . . . . ?
B8 B5 B2 C1 136.93(18) . . . . ?
B8 B5 B2 B3 99.6(2) . . . . ?
B8 B5 B2 B7 36.34(17) . . . . ?
B8 B5 B4 C1 -98.98(18) . . . . ?
B8 B5 B4 C2 -59.5(2) . . . . ?
B8 B5 B4 B10 38.17(17) . . . . ?
B8 B5 B4 B9 0.5(2) . . . . ?
B8 B5 B10 B4 -137.99(18) . . . . ?
B8 B5 B10 B11 -36.46(17) . . . . ?
B8 B5 B10 B9 -99.9(2) . . . . ?
B8 B2 B3 C1 99.88(18) . . . . ?
B8 B2 B3 C2 62.0(2) . . . . ?
B8 B2 B3 B6 1.0(2) . . . . ?
B8 B2 B3 B7 -36.65(17) . . . . ?
B8 B2 B7 B3 138.48(19) . . . . ?
B8 B2 B7 B11 37.63(17) . . . . ?
B8 B2 B7 B6 100.9(2) . . . . ?
B8 B10 B11 B9 -137.27(18) . . . . ?
B8 B10 B11 B6 -99.7(2) . . . . ?
B8 B10 B11 B7 -37.09(17) . . . . ?
B8 B10 B9 C2 -60.7(2) . . . . ?
B8 B10 B9 B4 -100.61(19) . . . . ?
B8 B10 B9 B11 37.73(17) . . . . ?
B8 B10 B9 B6 0.4(2) . . . . ?
B8 B11 B9 C2 60.2(2) . . . . ?
B8 B11 B9 B4 -1.1(2) . . . . ?
B8 B11 B9 B10 -38.20(17) . . . . ?
B8 B11 B9 B6 100.0(2) . . . . ?
B8 B11 B6 C2 -61.6(2) . . . . ?
B8 B11 B6 B3 -0.8(2) . . . . ?
B8 B11 B6 B9 -100.8(2) . . . . ?
B8 B11 B6 B7 36.77(17) . . . . ?
B8 B11 B7 B2 -37.92(17) . . . . ?
B8 B11 B7 B3 -100.57(19) . . . . ?
B8 B11 B7 B6 -138.28(19) . . . . ?
B7 B2 B3 C1 136.53(18) . . . . ?
B7 B2 B3 C2 98.68(18) . . . . ?
B7 B2 B3 B6 37.65(17) . . . . ?
B7 B2 B8 B5 -138.84(19) . . . . ?
B7 B2 B8 B10 -102.1(2) . . . . ?
B7 B2 B8 B11 -38.42(18) . . . . ?
B7 B3 B6 C2 132.92(18) . . . . ?
B7 B3 B6 B11 37.98(18) . . . . ?
B7 B3 B6 B9 101.22(19) . . . . ?
B7 B11 B9 C2 -2.3(2) . . . . ?
B7 B11 B9 B4 -63.6(2) . . . . ?
B7 B11 B9 B10 -100.7(2) . . . . ?
B7 B11 B9 B6 37.42(17) . . . . ?
B7 B11 B6 C2 -98.36(18) . . . . ?
B7 B11 B6 B3 -37.58(17) . . . . ?
B7 B11 B6 B9 -137.61(19) . . . . ?
B7 B11 B8 B5 101.63(19) . . . . ?
B7 B11 B8 B2 38.19(17) . . . . ?
B7 B11 B8 B10 138.11(19) . . . . ?

_olex2_exptl_crystal_mounting_method 'MiTeGen MicroMount'
_olex2_submission_special_instructions 'No special instructions were received'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# 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_Ph3PSiEt3_HBoCb3
_database_code_depnum_ccdc_archive 'CCDC 2259759'
loop_
_audit_author_name
_audit_author_address
'Sanjay Dutta'
;Department of Chemistry and Biochemistry, Baylor University, Waco Texas
United States of America
;
_audit_update_record             
;
2023-04-28 deposited with the CCDC.	2023-06-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
tris-carborane_triphenylphosphine_triethylsilane
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H64 B31 P Si'
_chemical_formula_sum            'C30 H64 B31 P Si'
_chemical_formula_weight         818.98

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3 :H'
_space_group_name_Hall           '-R 3'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   15.5559(7)
_cell_length_b                   15.5559(7)
_cell_length_c                   36.209(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     7588.2(9)
_cell_formula_units_Z            6
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9860
_cell_measurement_theta_min      2.62
_cell_measurement_theta_max      26.39

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.075
_exptl_crystal_F_000             2568
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.395
_exptl_crystal_size_mid          0.305
_exptl_crystal_size_min          0.095
_exptl_absorpt_coefficient_mu    0.104
_shelx_estimated_absorpt_T_min   0.960
_shelx_estimated_absorpt_T_max   0.990
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.786
_exptl_absorpt_correction_T_max  0.810
_exptl_absorpt_process_details   SADabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            20946
_diffrn_reflns_av_unetI/netI     0.0434
_diffrn_reflns_av_R_equivalents  0.0610
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_theta_min         2.619
_diffrn_reflns_theta_max         26.395
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             3460
_reflns_number_gt                2718
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0736P)²+16.3826P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     'DIRECT METHODS'
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0015(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         3460
_refine_ls_number_parameters     198
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0815
_refine_ls_R_factor_gt           0.0677
_refine_ls_wR_factor_ref         0.1802
_refine_ls_wR_factor_gt          0.1691
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_restrained_S_all      1.116
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.002

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
P1 P 0.3333 0.6667 0.57253(3) 0.0303(3) Uani 1 3 d S T P A 3
Si1 Si 0.3333 0.6667 0.50739(3) 0.0342(3) Uani 1 3 d S T P A 3
C3 C 0.42107(16) 0.63372(16) 0.59094(7) 0.0328(5) Uani 1 1 d . . . A 3
C1 C 0.11720(16) 0.09149(16) 0.58719(6) 0.0306(5) Uani 1 1 d . . . B 3
C4 C 0.39480(19) 0.56680(19) 0.62020(7) 0.0400(6) Uani 1 1 d . . . A 3
H4A H 0.3301 0.5374 0.6305 0.048 Uiso 1 1 calc R U . A 3
C2 C 0.13964(18) 0.20780(17) 0.58495(6) 0.0337(5) Uani 1 1 d . . . B 3
C8 C 0.51645(18) 0.67692(19) 0.57617(8) 0.0439(6) Uani 1 1 d . . . A 3
H8A H 0.5348 0.7225 0.5562 0.053 Uiso 1 1 calc R U . A 3
C9 C 0.2304(2) 0.6850(2) 0.49115(8) 0.0463(6) Uani 1 1 d . . . A 3
H9A H 0.2388 0.7462 0.5030 0.056 Uiso 1 1 calc R U . A 3
H9B H 0.2391 0.6979 0.4643 0.056 Uiso 1 1 calc R U . A 3
C5 C 0.4638(2) 0.5433(2) 0.63419(8) 0.0510(7) Uani 1 1 d . . . A 3
H5A H 0.4459 0.4974 0.6540 0.061 Uiso 1 1 calc R U . A 3
C6 C 0.5579(2) 0.5864(2) 0.61950(9) 0.0533(7) Uani 1 1 d . . . A 3
H6A H 0.6047 0.5701 0.6292 0.064 Uiso 1 1 calc R U . A 3
C7 C 0.5846(2) 0.6530(2) 0.59072(9) 0.0522(7) Uani 1 1 d . . . A 3
H7A H 0.6498 0.6827 0.5808 0.063 Uiso 1 1 calc R U . A 3
C10 C 0.1242(2) 0.6038(2) 0.49755(11) 0.0623(9) Uani 1 1 d . . . A 3
H10A H 0.1142 0.5414 0.4870 0.093 Uiso 1 1 calc R U . A 3
H10B H 0.0789 0.6219 0.4856 0.093 Uiso 1 1 calc R U . A 3
H10C H 0.1106 0.5954 0.5241 0.093 Uiso 1 1 calc R U . A 3
B4 B 0.20819(19) 0.0878(2) 0.56021(7) 0.0333(6) Uani 1 1 d . . . B 3
H4 H 0.1960 0.0194 0.5454 0.040 Uiso 1 1 calc R U . B 3
B5 B 0.15059(19) 0.15464(19) 0.54564(7) 0.0325(6) Uani 1 1 d . . . B 3
H5 H 0.0985 0.1308 0.5215 0.039 Uiso 1 1 calc R U . B 3
B9 B 0.28095(19) 0.2073(2) 0.54064(8) 0.0354(6) Uani 1 1 d . . . B 3
H9 H 0.3164 0.2186 0.5128 0.042 Uiso 1 1 calc R U . B 3
B1 B 0.0000 0.0000 0.59767(12) 0.0307(9) Uani 1 3 d S T P B 3
B3 B 0.2200(2) 0.0983(2) 0.60901(7) 0.0365(6) Uani 1 1 d . . . B 3
H3 H 0.2146 0.0364 0.6265 0.044 Uiso 1 1 calc R U . B 3
B10 B 0.2334(2) 0.2827(2) 0.55621(8) 0.0364(6) Uani 1 1 d . . . B 3
H10 H 0.2360 0.3436 0.5389 0.044 Uiso 1 1 calc R U . B 3
B6 B 0.2471(2) 0.2937(2) 0.60495(8) 0.0406(6) Uani 1 1 d . . . B 3
H6 H 0.2587 0.3620 0.6196 0.049 Uiso 1 1 calc R U . B 3
B11 B 0.3411(2) 0.2932(2) 0.57763(8) 0.0403(6) Uani 1 1 d . . . B 3
H11 H 0.4162 0.3606 0.5743 0.048 Uiso 1 1 calc R U . B 3
B8 B 0.3247(2) 0.1713(2) 0.58006(8) 0.0390(6) Uani 1 1 d . . . B 3
H8 H 0.3891 0.1582 0.5784 0.047 Uiso 1 1 calc R U . B 3
B7 B 0.3031(2) 0.2256(2) 0.61996(8) 0.0417(7) Uani 1 1 d . . . B 3
H7 H 0.3533 0.2485 0.6446 0.050 Uiso 1 1 calc R U . B 3
B2 B 0.1731(2) 0.1742(2) 0.62466(8) 0.0400(6) Uani 1 1 d . . . B 3
H2A H 0.1362 0.1634 0.6522 0.048 Uiso 1 1 calc R U . B 3
H1 H 0.0000 0.0000 0.6263(13) 0.038(12) Uiso 1 3 d S . P C 3
H2 H 0.080(2) 0.212(2) 0.5859(9) 0.061(9) Uiso 1 1 d . . . D 3


_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
P1 C3 1.808(2) . ?
P1 C3 1.808(2) 2_665 ?
P1 C3 1.808(2) 3_565 ?
P1 Si1 2.3585(15) . ?
Si1 C9 1.857(3) 3_565 ?
Si1 C9 1.857(3) . ?
Si1 C9 1.857(3) 2_665 ?
C3 C8 1.394(3) . ?
C3 C4 1.396(3) . ?
C1 C2 1.664(3) . ?
C1 B1 1.703(2) . ?
C1 B5 1.728(3) . ?
C1 B3 1.739(3) . ?
C1 B4 1.744(3) . ?
C1 B2 1.770(3) . ?
C4 C5 1.391(4) . ?
C4 H4A 0.9500 . ?
C2 B10 1.693(4) . ?
C2 B6 1.694(4) . ?
C2 B5 1.697(3) . ?
C2 B2 1.698(4) . ?
C2 H2 0.96(3) . ?
C8 C7 1.390(4) . ?
C8 H8A 0.9500 . ?
C9 C10 1.514(4) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C5 C6 1.376(4) . ?
C5 H5A 0.9500 . ?
C6 C7 1.380(4) . ?
C6 H6A 0.9500 . ?
C7 H7A 0.9500 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
B4 B5 1.758(4) . ?
B4 B8 1.770(4) . ?
B4 B9 1.770(4) . ?
B4 B3 1.776(4) . ?
B4 H4 1.1200 . ?
B5 B9 1.776(4) . ?
B5 B10 1.791(4) . ?
B5 H5 1.1200 . ?
B9 B10 1.763(4) . ?
B9 B8 1.787(4) . ?
B9 B11 1.790(4) . ?
B9 H9 1.1200 . ?
B1 C1 1.703(2) 2 ?
B1 C1 1.703(2) 3 ?
B1 H1 1.04(5) . ?
B3 B2 1.763(4) . ?
B3 B7 1.786(4) . ?
B3 B8 1.786(4) . ?
B3 H3 1.1200 . ?
B10 B6 1.775(4) . ?
B10 B11 1.779(4) . ?
B10 H10 1.1200 . ?
B6 B7 1.761(4) . ?
B6 B11 1.769(4) . ?
B6 B2 1.775(4) . ?
B6 H6 1.1200 . ?
B11 B8 1.784(4) . ?
B11 B7 1.784(4) . ?
B11 H11 1.1200 . ?
B8 B7 1.788(4) . ?
B8 H8 1.1200 . ?
B7 B2 1.772(4) . ?
B7 H7 1.1200 . ?
B2 H2A 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
C3 P1 C3 107.22(9) . 2_665 ?
C3 P1 C3 107.23(9) . 3_565 ?
C3 P1 C3 107.23(9) 2_665 3_565 ?
C3 P1 Si1 111.63(8) . . ?
C3 P1 Si1 111.63(8) 2_665 . ?
C3 P1 Si1 111.63(8) 3_565 . ?
C9 Si1 C9 110.47(9) 3_565 . ?
C9 Si1 C9 110.47(9) 3_565 2_665 ?
C9 Si1 C9 110.47(9) . 2_665 ?
C9 Si1 P1 108.45(10) 3_565 . ?
C9 Si1 P1 108.46(10) . . ?
C9 Si1 P1 108.45(10) 2_665 . ?
C8 C3 C4 119.7(2) . . ?
C8 C3 P1 119.63(19) . . ?
C4 C3 P1 120.69(18) . . ?
C2 C1 B1 118.33(15) . . ?
C2 C1 B5 59.99(14) . . ?
B1 C1 B5 124.1(2) . . ?
C2 C1 B3 105.64(17) . . ?
B1 C1 B3 121.14(18) . . ?
B5 C1 B3 110.80(18) . . ?
C2 C1 B4 106.00(17) . . ?
B1 C1 B4 130.16(17) . . ?
B5 C1 B4 60.85(14) . . ?
B3 C1 B4 61.30(15) . . ?
C2 C1 B2 59.19(14) . . ?
B1 C1 B2 111.6(2) . . ?
B5 C1 B2 110.81(18) . . ?
B3 C1 B2 60.30(15) . . ?
B4 C1 B2 109.93(18) . . ?
C5 C4 C3 119.7(2) . . ?
C5 C4 H4A 120.1 . . ?
C3 C4 H4A 120.1 . . ?
C1 C2 B10 114.73(18) . . ?
C1 C2 B6 115.12(19) . . ?
B10 C2 B6 63.23(16) . . ?
C1 C2 B5 61.88(14) . . ?
B10 C2 B5 63.78(15) . . ?
B6 C2 B5 116.30(19) . . ?
C1 C2 B2 63.50(15) . . ?
B10 C2 B2 116.2(2) . . ?
B6 C2 B2 63.09(16) . . ?
B5 C2 B2 116.03(19) . . ?
C1 C2 H2 113(2) . . ?
B10 C2 H2 120(2) . . ?
B6 C2 H2 122(2) . . ?
B5 C2 H2 114(2) . . ?
B2 C2 H2 116(2) . . ?
C7 C8 C3 119.7(3) . . ?
C7 C8 H8A 120.1 . . ?
C3 C8 H8A 120.1 . . ?
C10 C9 Si1 119.2(2) . . ?
C10 C9 H9A 107.5 . . ?
Si1 C9 H9A 107.5 . . ?
C10 C9 H9B 107.5 . . ?
Si1 C9 H9B 107.5 . . ?
H9A C9 H9B 107.0 . . ?
C6 C5 C4 120.3(3) . . ?
C6 C5 H5A 119.9 . . ?
C4 C5 H5A 119.9 . . ?
C5 C6 C7 120.3(3) . . ?
C5 C6 H6A 119.8 . . ?
C7 C6 H6A 119.8 . . ?
C6 C7 C8 120.3(3) . . ?
C6 C7 H7A 119.9 . . ?
C8 C7 H7A 119.9 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C1 B4 B5 59.14(14) . . ?
C1 B4 B8 107.37(18) . . ?
B5 B4 B8 108.99(19) . . ?
C1 B4 B9 107.06(18) . . ?
B5 B4 B9 60.44(15) . . ?
B8 B4 B9 60.64(15) . . ?
C1 B4 B3 59.22(14) . . ?
B5 B4 B3 107.74(18) . . ?
B8 B4 B3 60.51(16) . . ?
B9 B4 B3 108.66(19) . . ?
C1 B4 H4 123.0 . . ?
B5 B4 H4 121.5 . . ?
B8 B4 H4 121.1 . . ?
B9 B4 H4 121.4 . . ?
B3 B4 H4 121.6 . . ?
C2 B5 C1 58.14(13) . . ?
C2 B5 B4 103.97(18) . . ?
C1 B5 B4 60.01(14) . . ?
C2 B5 B9 103.32(18) . . ?
C1 B5 B9 107.48(18) . . ?
B4 B5 B9 60.11(15) . . ?
C2 B5 B10 58.01(14) . . ?
C1 B5 B10 106.90(18) . . ?
B4 B5 B10 107.33(18) . . ?
B9 B5 B10 59.25(15) . . ?
C2 B5 H5 125.6 . . ?
C1 B5 H5 121.8 . . ?
B4 B5 H5 122.4 . . ?
B9 B5 H5 122.9 . . ?
B10 B5 H5 122.2 . . ?
B10 B9 B4 108.03(19) . . ?
B10 B9 B5 60.80(15) . . ?
B4 B9 B5 59.44(14) . . ?
B10 B9 B8 107.75(19) . . ?
B4 B9 B8 59.67(15) . . ?
B5 B9 B8 107.42(19) . . ?
B10 B9 B11 60.07(16) . . ?
B4 B9 B11 107.76(19) . . ?
B5 B9 B11 108.55(19) . . ?
B8 B9 B11 59.82(16) . . ?
B10 B9 H9 121.4 . . ?
B4 B9 H9 122.1 . . ?
B5 B9 H9 121.6 . . ?
B8 B9 H9 122.2 . . ?
B11 B9 H9 121.6 . . ?
C1 B1 C1 115.18(11) 2 . ?
C1 B1 C1 115.18(11) 2 3 ?
C1 B1 C1 115.18(11) . 3 ?
C1 B1 H1 102.88(16) 2 . ?
C1 B1 H1 102.88(15) . . ?
C1 B1 H1 102.88(16) 3 . ?
C1 B3 B2 60.71(15) . . ?
C1 B3 B4 59.48(14) . . ?
B2 B3 B4 108.80(19) . . ?
C1 B3 B7 107.56(19) . . ?
B2 B3 B7 59.89(17) . . ?
B4 B3 B7 107.9(2) . . ?
C1 B3 B8 106.84(18) . . ?
B2 B3 B8 108.2(2) . . ?
B4 B3 B8 59.59(15) . . ?
B7 B3 B8 60.05(16) . . ?
C1 B3 H3 122.2 . . ?
B2 B3 H3 121.0 . . ?
B4 B3 H3 121.7 . . ?
B7 B3 H3 121.9 . . ?
B8 B3 H3 122.2 . . ?
C2 B10 B9 104.02(19) . . ?
C2 B10 B6 58.40(15) . . ?
B9 B10 B6 108.2(2) . . ?
C2 B10 B11 104.05(19) . . ?
B9 B10 B11 60.70(16) . . ?
B6 B10 B11 59.71(16) . . ?
C2 B10 B5 58.21(14) . . ?
B9 B10 B5 59.95(15) . . ?
B6 B10 B5 107.71(19) . . ?
B11 B10 B5 108.38(19) . . ?
C2 B10 H10 125.5 . . ?
B9 B10 H10 122.2 . . ?
B6 B10 H10 121.6 . . ?
B11 B10 H10 122.2 . . ?
B5 B10 H10 121.5 . . ?
C2 B6 B7 104.33(19) . . ?
C2 B6 B11 104.44(19) . . ?
B7 B6 B11 60.70(17) . . ?
C2 B6 B2 58.59(15) . . ?
B7 B6 B2 60.14(17) . . ?
B11 B6 B2 108.9(2) . . ?
C2 B6 B10 58.37(15) . . ?
B7 B6 B10 108.7(2) . . ?
B11 B6 B10 60.24(16) . . ?
B2 B6 B10 108.37(19) . . ?
C2 B6 H6 125.4 . . ?
B7 B6 H6 122.1 . . ?
B11 B6 H6 121.9 . . ?
B2 B6 H6 121.1 . . ?
B10 B6 H6 121.2 . . ?
B6 B11 B10 60.06(16) . . ?
B6 B11 B8 107.3(2) . . ?
B10 B11 B8 107.24(19) . . ?
B6 B11 B7 59.42(17) . . ?
B10 B11 B7 107.5(2) . . ?
B8 B11 B7 60.14(17) . . ?
B6 B11 B9 107.27(19) . . ?
B10 B11 B9 59.22(15) . . ?
B8 B11 B9 60.01(16) . . ?
B7 B11 B9 107.9(2) . . ?
B6 B11 H11 122.2 . . ?
B10 B11 H11 122.2 . . ?
B8 B11 H11 122.0 . . ?
B7 B11 H11 121.8 . . ?
B9 B11 H11 122.0 . . ?
B4 B8 B11 108.06(19) . . ?
B4 B8 B3 59.91(15) . . ?
B11 B8 B3 107.8(2) . . ?
B4 B8 B9 59.70(15) . . ?
B11 B8 B9 60.17(16) . . ?
B3 B8 B9 107.44(19) . . ?
B4 B8 B7 108.0(2) . . ?
B11 B8 B7 59.94(17) . . ?
B3 B8 B7 59.97(16) . . ?
B9 B8 B7 107.9(2) . . ?
B4 B8 H8 121.7 . . ?
B11 B8 H8 121.6 . . ?
B3 B8 H8 122.0 . . ?
B9 B8 H8 122.0 . . ?
B7 B8 H8 121.7 . . ?
B6 B7 B2 60.31(17) . . ?
B6 B7 B11 59.88(17) . . ?
B2 B7 B11 108.4(2) . . ?
B6 B7 B3 107.28(19) . . ?
B2 B7 B3 59.41(16) . . ?
B11 B7 B3 107.8(2) . . ?
B6 B7 B8 107.5(2) . . ?
B2 B7 B8 107.80(19) . . ?
B11 B7 B8 59.92(16) . . ?
B3 B7 B8 59.98(16) . . ?
B6 B7 H7 122.0 . . ?
B2 B7 H7 121.6 . . ?
B11 B7 H7 121.6 . . ?
B3 B7 H7 122.2 . . ?
B8 B7 H7 121.9 . . ?
C2 B2 B3 103.16(19) . . ?
C2 B2 C1 57.31(13) . . ?
B3 B2 C1 58.99(14) . . ?
C2 B2 B7 103.7(2) . . ?
B3 B2 B7 60.70(17) . . ?
C1 B2 B7 106.85(19) . . ?
C2 B2 B6 58.33(15) . . ?
B3 B2 B6 107.7(2) . . ?
C1 B2 B6 106.18(19) . . ?
B7 B2 B6 59.54(17) . . ?
C2 B2 H2A 125.8 . . ?
B3 B2 H2A 122.6 . . ?
C1 B2 H2A 122.9 . . ?
B7 B2 H2A 122.5 . . ?
B6 B2 H2A 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
C3 P1 C3 C8 -77.0(3) 2_665 . . . ?
C3 P1 C3 C8 168.10(19) 3_565 . . . ?
Si1 P1 C3 C8 45.5(2) . . . . ?
C3 P1 C3 C4 101.85(15) 2_665 . . . ?
C3 P1 C3 C4 -13.0(2) 3_565 . . . ?
Si1 P1 C3 C4 -135.59(18) . . . . ?
C8 C3 C4 C5 -0.4(4) . . . . ?
P1 C3 C4 C5 -179.3(2) . . . . ?
B1 C1 C2 B10 -152.2(2) . . . . ?
B5 C1 C2 B10 -37.09(18) . . . . ?
B3 C1 C2 B10 68.2(2) . . . . ?
B4 C1 C2 B10 4.2(2) . . . . ?
B2 C1 C2 B10 108.2(2) . . . . ?
B1 C1 C2 B6 137.2(2) . . . . ?
B5 C1 C2 B6 -107.7(2) . . . . ?
B3 C1 C2 B6 -2.4(2) . . . . ?
B4 C1 C2 B6 -66.4(2) . . . . ?
B2 C1 C2 B6 37.6(2) . . . . ?
B1 C1 C2 B5 -115.1(2) . . . . ?
B3 C1 C2 B5 105.31(19) . . . . ?
B4 C1 C2 B5 41.33(16) . . . . ?
B2 C1 C2 B5 145.32(19) . . . . ?
B1 C1 C2 B2 99.5(2) . . . . ?
B5 C1 C2 B2 -145.32(19) . . . . ?
B3 C1 C2 B2 -40.01(18) . . . . ?
B4 C1 C2 B2 -103.99(19) . . . . ?
C4 C3 C8 C7 0.0(4) . . . . ?
P C3 C8 C7 178.9(2) . . . . ?
C9 Si1 C9 C10 173.1(2) 3_565 . . . ?
C9 Si1 C9 C10 50.5(3) 2_665 . . . ?
P1 Si1 C9 C10 -68.2(3) . . . . ?
C3 C4 C5 C6 0.5(4) . . . . ?
C4 C5 C6 C7 -0.1(5) . . . . ?
C5 C6 C7 C8 -0.3(5) . . . . ?
C3 C8 C7 C6 0.4(4) . . . . ?
C2 C1 B4 B5 -40.90(16) . . . . ?
B1 C1 B4 B5 111.7(3) . . . . ?
B3 C1 B4 B5 -140.26(19) . . . . ?
B2 C1 B4 B5 -103.33(19) . . . . ?
C2 C1 B4 B8 61.2(2) . . . . ?
B1 C1 B4 B8 -146.2(2) . . . . ?
B5 C1 B4 B8 102.1(2) . . . . ?
B3 C1 B4 B8 -38.13(18) . . . . ?
B2 C1 B4 B8 -1.2(2) . . . . ?
C2 C1 B4 B9 -2.6(2) . . . . ?
B1 C1 B4 B9 150.0(2) . . . . ?
B5 C1 B4 B9 38.33(17) . . . . ?
B3 C1 B4 B9 -101.9(2) . . . . ?
B2 C1 B4 B9 -65.0(2) . . . . ?
C2 C1 B4 B3 99.36(18) . . . . ?
B1 C1 B4 B3 -108.0(3) . . . . ?
B5 C1 B4 B3 140.26(19) . . . . ?
B2 C1 B4 B3 36.93(18) . . . . ?
B10 C2 B5 C1 142.37(19) . . . . ?
B6 C2 B5 C1 105.8(2) . . . . ?
B2 C2 B5 C1 34.52(19) . . . . ?
C1 C2 B5 B4 -40.45(16) . . . . ?
B10 C2 B5 B4 101.92(19) . . . . ?
B6 C2 B5 B4 65.4(2) . . . . ?
B2 C2 B5 B4 -5.9(3) . . . . ?
C1 C2 B5 B9 -102.49(19) . . . . ?
B10 C2 B5 B9 39.87(17) . . . . ?
B6 C2 B5 B9 3.3(3) . . . . ?
B2 C2 B5 B9 -68.0(2) . . . . ?
C1 C2 B5 B10 -142.37(19) . . . . ?
B6 C2 B5 B10 -36.5(2) . . . . ?
B2 C2 B5 B10 -107.8(2) . . . . ?
B1 C1 B5 C2 105.7(2) . . . . ?
B3 C1 B5 C2 -96.52(19) . . . . ?
B4 C1 B5 C2 -133.38(18) . . . . ?
B2 C1 B5 C2 -31.52(18) . . . . ?
C2 C1 B5 B4 133.38(18) . . . . ?
B1 C1 B5 B4 -120.9(2) . . . . ?
B3 C1 B5 B4 36.85(18) . . . . ?
B2 C1 B5 B4 101.9(2) . . . . ?
C2 C1 B5 B9 95.09(19) . . . . ?
B1 C1 B5 B9 -159.22(18) . . . . ?
B3 C1 B5 B9 -1.4(2) . . . . ?
B4 C1 B5 B9 -38.29(17) . . . . ?
B2 C1 B5 B9 63.6(2) . . . . ?
C2 C1 B5 B10 32.77(17) . . . . ?
B1 C1 B5 B10 138.46(18) . . . . ?
B3 C1 B5 B10 -63.8(2) . . . . ?
B4 C1 B5 B10 -100.61(19) . . . . ?
B2 C1 B5 B10 1.3(2) . . . . ?
C1 B4 B5 C2 39.50(15) . . . . ?
B8 B4 B5 C2 -59.8(2) . . . . ?
B9 B4 B5 C2 -97.52(19) . . . . ?
B3 B4 B5 C2 4.3(2) . . . . ?
B8 B4 B5 C1 -99.3(2) . . . . ?
B9 B4 B5 C1 -137.03(18) . . . . ?
B3 B4 B5 C1 -35.22(17) . . . . ?
C1 B4 B5 B9 137.03(18) . . . . ?
B8 B4 B5 B9 37.70(18) . . . . ?
B3 B4 B5 B9 101.8(2) . . . . ?
C1 B4 B5 B10 99.88(19) . . . . ?
B8 B4 B5 B10 0.6(2) . . . . ?
B9 B4 B5 B10 -37.15(17) . . . . ?
B3 B4 B5 B10 64.7(2) . . . . ?
C1 B4 B9 B10 0.3(2) . . . . ?
B5 B4 B9 B10 38.00(18) . . . . ?
B8 B4 B9 B10 -100.4(2) . . . . ?
B3 B4 B9 B10 -62.3(2) . . . . ?
C1 B4 B9 B5 -37.74(16) . . . . ?
B8 B4 B9 B5 -138.4(2) . . . . ?
B3 B4 B9 B5 -100.3(2) . . . . ?
C1 B4 B9 B8 100.7(2) . . . . ?
B5 B4 B9 B8 138.4(2) . . . . ?
B3 B4 B9 B8 38.17(18) . . . . ?
C1 B4 B9 B11 63.7(2) . . . . ?
B5 B4 B9 B11 101.5(2) . . . . ?
B8 B4 B9 B11 -36.97(19) . . . . ?
B3 B4 B9 B11 1.2(2) . . . . ?
C2 B5 B9 B10 -39.25(17) . . . . ?
C1 B5 B9 B10 -99.63(19) . . . . ?
B4 B5 B9 B10 -137.88(19) . . . . ?
C2 B5 B9 B4 98.63(19) . . . . ?
C1 B5 B9 B4 38.24(17) . . . . ?
B10 B5 B9 B4 137.88(19) . . . . ?
C2 B5 B9 B8 61.7(2) . . . . ?
C1 B5 B9 B8 1.4(2) . . . . ?
B4 B5 B9 B8 -36.88(18) . . . . ?
B10 B5 B9 B8 101.0(2) . . . . ?
C2 B5 B9 B11 -1.5(2) . . . . ?
C1 B5 B9 B11 -61.9(2) . . . . ?
B4 B5 B9 B11 -100.1(2) . . . . ?
B10 B5 B9 B11 37.77(19) . . . . ?
C2 C1 B1 C1 24.9(4) . . . 2 ?
B5 C1 B1 C1 -46.3(3) . . . 2 ?
B3 C1 B1 C1 158.0(2) . . . 2 ?
B4 C1 B1 C1 -124.92(17) . . . 2 ?
B2 C1 B1 C1 90.6(3) . . . 2 ?
C2 C1 B1 C1 162.71(16) . . . 3 ?
B5 C1 B1 C1 91.4(2) . . . 3 ?
B3 C1 B1 C1 -64.2(4) . . . 3 ?
B4 C1 B1 C1 12.9(4) . . . 3 ?
B2 C1 B1 C1 -131.6(2) . . . 3 ?
C2 C1 B3 B2 39.46(18) . . . . ?
B1 C1 B3 B2 -98.7(2) . . . . ?
B5 C1 B3 B2 102.8(2) . . . . ?
B4 C1 B3 B2 139.4(2) . . . . ?
C2 C1 B3 B4 -99.97(18) . . . . ?
B1 C1 B3 B4 121.9(2) . . . . ?
B5 C1 B3 B4 -36.67(17) . . . . ?
B2 C1 B3 B4 -139.4(2) . . . . ?
C2 C1 B3 B7 0.8(2) . . . . ?
B1 C1 B3 B7 -137.4(2) . . . . ?
B5 C1 B3 B7 64.1(2) . . . . ?
B4 C1 B3 B7 100.8(2) . . . . ?
B2 C1 B3 B7 -38.67(19) . . . . ?
C2 C1 B3 B8 -62.4(2) . . . . ?
B1 C1 B3 B8 159.5(2) . . . . ?
B5 C1 B3 B8 0.9(2) . . . . ?
B4 C1 B3 B8 37.59(18) . . . . ?
B2 C1 B3 B8 -101.8(2) . . . . ?
B5 B4 B3 C1 35.18(16) . . . . ?
B8 B4 B3 C1 137.39(19) . . . . ?
B9 B4 B3 C1 99.16(19) . . . . ?
C1 B4 B3 B2 -36.81(18) . . . . ?
B5 B4 B3 B2 -1.6(3) . . . . ?
B8 B4 B3 B2 100.6(2) . . . . ?
B9 B4 B3 B2 62.4(2) . . . . ?
C1 B4 B3 B7 -100.3(2) . . . . ?
B5 B4 B3 B7 -65.1(2) . . . . ?
B8 B4 B3 B7 37.14(19) . . . . ?
B9 B4 B3 B7 -1.1(3) . . . . ?
C1 B4 B3 B8 -137.39(19) . . . . ?
B5 B4 B3 B8 -102.2(2) . . . . ?
B9 B4 B3 B8 -38.23(18) . . . . ?
C1 C2 B10 B9 -4.0(2) . . . . ?
B6 C2 B10 B9 102.9(2) . . . . ?
B5 C2 B10 B9 -40.37(17) . . . . ?
B2 C2 B10 B9 67.3(2) . . . . ?
C1 C2 B10 B6 -106.9(2) . . . . ?
B5 C2 B10 B6 -143.3(2) . . . . ?
B2 C2 B10 B6 -35.6(2) . . . . ?
C1 C2 B10 B11 -66.8(2) . . . . ?
B6 C2 B10 B11 40.14(18) . . . . ?
B5 C2 B10 B11 -103.1(2) . . . . ?
B2 C2 B10 B11 4.5(3) . . . . ?
C1 C2 B10 B5 36.36(18) . . . . ?
B6 C2 B10 B5 143.3(2) . . . . ?
B2 C2 B10 B5 107.6(2) . . . . ?
B4 B9 B10 C2 2.1(2) . . . . ?
B5 B9 B10 C2 39.49(17) . . . . ?
B8 B9 B10 C2 -60.9(2) . . . . ?
B11 B9 B10 C2 -98.4(2) . . . . ?
B4 B9 B10 B6 63.0(2) . . . . ?
B5 B9 B10 B6 100.4(2) . . . . ?
B8 B9 B10 B6 -0.1(3) . . . . ?
B11 B9 B10 B6 -37.55(19) . . . . ?
B4 B9 B10 B11 100.5(2) . . . . ?
B5 B9 B10 B11 137.9(2) . . . . ?
B8 B9 B10 B11 37.49(19) . . . . ?
B4 B9 B10 B5 -37.40(17) . . . . ?
B8 B9 B10 B5 -100.4(2) . . . . ?
B11 B9 B10 B5 -137.9(2) . . . . ?
C1 B5 B10 C2 -32.82(17) . . . . ?
B4 B5 B10 C2 -95.92(19) . . . . ?
B9 B5 B10 C2 -133.45(19) . . . . ?
C2 B5 B10 B9 133.45(19) . . . . ?
C1 B5 B10 B9 100.63(19) . . . . ?
B4 B5 B10 B9 37.53(17) . . . . ?
C2 B5 B10 B6 32.31(18) . . . . ?
C1 B5 B10 B6 -0.5(2) . . . . ?
B4 B5 B10 B6 -63.6(2) . . . . ?
B9 B5 B10 B6 -101.1(2) . . . . ?
C2 B5 B10 B11 95.4(2) . . . . ?
C1 B5 B10 B11 62.6(2) . . . . ?
B4 B5 B10 B11 -0.5(2) . . . . ?
B9 B5 B10 B11 -38.01(18) . . . . ?
C1 C2 B6 B7 2.9(3) . . . . ?
B10 C2 B6 B7 -103.4(2) . . . . ?
B5 C2 B6 B7 -66.6(3) . . . . ?
B2 C2 B6 B7 40.71(19) . . . . ?
C1 C2 B6 B11 65.8(2) . . . . ?
B10 C2 B6 B11 -40.49(19) . . . . ?
B5 C2 B6 B11 -3.7(3) . . . . ?
B2 C2 B6 B11 103.6(2) . . . . ?
C1 C2 B6 B2 -37.76(19) . . . . ?
B10 C2 B6 B2 -144.1(2) . . . . ?
B5 C2 B6 B2 -107.3(2) . . . . ?
C1 C2 B6 B10 106.3(2) . . . . ?
B5 C2 B6 B10 36.7(2) . . . . ?
B2 C2 B6 B10 144.1(2) . . . . ?
B9 B10 B6 C2 -95.6(2) . . . . ?
B11 B10 B6 C2 -133.6(2) . . . . ?
B5 B10 B6 C2 -32.24(18) . . . . ?
C2 B10 B6 B7 95.6(2) . . . . ?
B9 B10 B6 B7 0.0(3) . . . . ?
B11 B10 B6 B7 -37.94(19) . . . . ?
B5 B10 B6 B7 63.4(2) . . . . ?
C2 B10 B6 B11 133.6(2) . . . . ?
B9 B10 B6 B11 37.99(19) . . . . ?
B5 B10 B6 B11 101.3(2) . . . . ?
C2 B10 B6 B2 31.84(19) . . . . ?
B9 B10 B6 B2 -63.8(2) . . . . ?
B11 B10 B6 B2 -101.8(2) . . . . ?
B5 B10 B6 B2 -0.4(3) . . . . ?
C2 B6 B11 B10 39.56(18) . . . . ?
B7 B6 B11 B10 138.1(2) . . . . ?
B2 B6 B11 B10 100.8(2) . . . . ?
C2 B6 B11 B8 -60.7(2) . . . . ?
B7 B6 B11 B8 37.81(19) . . . . ?
B2 B6 B11 B8 0.5(3) . . . . ?
B10 B6 B11 B8 -100.3(2) . . . . ?
C2 B6 B11 B7 -98.5(2) . . . . ?
B2 B6 B11 B7 -37.27(19) . . . . ?
B10 B6 B11 B7 -138.1(2) . . . . ?
C2 B6 B11 B9 2.4(3) . . . . ?
B7 B6 B11 B9 101.0(2) . . . . ?
B2 B6 B11 B9 63.7(3) . . . . ?
B10 B6 B11 B9 -37.11(19) . . . . ?
C2 B10 B11 B6 -39.49(18) . . . . ?
B9 B10 B11 B6 -137.9(2) . . . . ?
B5 B10 B11 B6 -100.2(2) . . . . ?
C2 B10 B11 B8 60.9(2) . . . . ?
B9 B10 B11 B8 -37.45(19) . . . . ?
B6 B10 B11 B8 100.4(2) . . . . ?
B5 B10 B11 B8 0.2(3) . . . . ?
C2 B10 B11 B7 -2.4(2) . . . . ?
B9 B10 B11 B7 -100.8(2) . . . . ?
B6 B10 B11 B7 37.08(19) . . . . ?
B5 B10 B11 B7 -63.1(2) . . . . ?
C2 B10 B11 B9 98.39(19) . . . . ?
B6 B10 B11 B9 137.9(2) . . . . ?
B5 B10 B11 B9 37.68(18) . . . . ?
B10 B9 B11 B6 37.49(19) . . . . ?
B4 B9 B11 B6 -63.5(2) . . . . ?
B5 B9 B11 B6 -0.6(3) . . . . ?
B8 B9 B11 B6 -100.4(2) . . . . ?
B4 B9 B11 B10 -101.0(2) . . . . ?
B5 B9 B11 B10 -38.09(18) . . . . ?
B8 B9 B11 B10 -137.9(2) . . . . ?
B10 B9 B11 B8 137.9(2) . . . . ?
B4 B9 B11 B8 36.90(18) . . . . ?
B5 B9 B11 B8 99.8(2) . . . . ?
B10 B9 B11 B7 100.1(2) . . . . ?
B4 B9 B11 B7 -0.9(3) . . . . ?
B5 B9 B11 B7 62.0(2) . . . . ?
B8 B9 B11 B7 -37.75(19) . . . . ?
C1 B4 B8 B11 -63.0(2) . . . . ?
B5 B4 B8 B11 -0.4(3) . . . . ?
B9 B4 B8 B11 37.19(19) . . . . ?
B3 B4 B8 B11 -100.5(2) . . . . ?
C1 B4 B8 B3 37.55(17) . . . . ?
B5 B4 B8 B3 100.1(2) . . . . ?
B9 B4 B8 B3 137.7(2) . . . . ?
C1 B4 B8 B9 -100.2(2) . . . . ?
B5 B4 B8 B9 -37.61(18) . . . . ?
B3 B4 B8 B9 -137.7(2) . . . . ?
C1 B4 B8 B7 0.4(2) . . . . ?
B5 B4 B8 B7 63.0(2) . . . . ?
B9 B4 B8 B7 100.6(2) . . . . ?
B3 B4 B8 B7 -37.14(19) . . . . ?
B6 B11 B8 B4 63.3(2) . . . . ?
B10 B11 B8 B4 0.1(3) . . . . ?
B7 B11 B8 B4 100.8(2) . . . . ?
B9 B11 B8 B4 -36.99(18) . . . . ?
B6 B11 B8 B3 0.0(3) . . . . ?
B10 B11 B8 B3 -63.2(2) . . . . ?
B7 B11 B8 B3 37.50(18) . . . . ?
B9 B11 B8 B3 -100.3(2) . . . . ?
B6 B11 B8 B9 100.3(2) . . . . ?
B10 B11 B8 B9 37.10(18) . . . . ?
B7 B11 B8 B9 137.8(2) . . . . ?
B6 B11 B8 B7 -37.49(19) . . . . ?
B10 B11 B8 B7 -100.7(2) . . . . ?
B9 B11 B8 B7 -137.8(2) . . . . ?
C1 B3 B8 B4 -37.54(17) . . . . ?
B2 B3 B8 B4 -101.5(2) . . . . ?
B7 B3 B8 B4 -138.5(2) . . . . ?
C1 B3 B8 B11 63.4(2) . . . . ?
B2 B3 B8 B11 -0.6(2) . . . . ?
B4 B3 B8 B11 101.0(2) . . . . ?
B7 B3 B8 B11 -37.49(19) . . . . ?
C1 B3 B8 B9 0.0(2) . . . . ?
B2 B3 B8 B9 -64.0(2) . . . . ?
B4 B3 B8 B9 37.50(18) . . . . ?
B7 B3 B8 B9 -101.0(2) . . . . ?
C1 B3 B8 B7 100.9(2) . . . . ?
B2 B3 B8 B7 36.92(18) . . . . ?
B4 B3 B8 B7 138.5(2) . . . . ?
B10 B9 B8 B4 100.9(2) . . . . ?
B5 B9 B8 B4 36.78(18) . . . . ?
B11 B9 B8 B4 138.5(2) . . . . ?
B10 B9 B8 B11 -37.60(19) . . . . ?
B4 B9 B8 B11 -138.5(2) . . . . ?
B5 B9 B8 B11 -101.7(2) . . . . ?
B10 B9 B8 B3 63.3(2) . . . . ?
B4 B9 B8 B3 -37.59(18) . . . . ?
B5 B9 B8 B3 -0.8(3) . . . . ?
B11 B9 B8 B3 100.9(2) . . . . ?
B10 B9 B8 B7 0.0(3) . . . . ?
B4 B9 B8 B7 -100.9(2) . . . . ?
B5 B9 B8 B7 -64.1(2) . . . . ?
B11 B9 B8 B7 37.65(19) . . . . ?
C2 B6 B7 B2 -39.93(18) . . . . ?
B11 B6 B7 B2 -138.7(2) . . . . ?
B10 B6 B7 B2 -100.9(2) . . . . ?
C2 B6 B7 B11 98.7(2) . . . . ?
B2 B6 B7 B11 138.7(2) . . . . ?
B10 B6 B7 B11 37.74(19) . . . . ?
C2 B6 B7 B3 -2.2(3) . . . . ?
B11 B6 B7 B3 -100.9(2) . . . . ?
B2 B6 B7 B3 37.72(19) . . . . ?
B10 B6 B7 B3 -63.2(3) . . . . ?
C2 B6 B7 B8 61.0(2) . . . . ?
B11 B6 B7 B8 -37.76(19) . . . . ?
B2 B6 B7 B8 100.9(2) . . . . ?
B10 B6 B7 B8 0.0(3) . . . . ?
B10 B11 B7 B6 -37.36(18) . . . . ?
B8 B11 B7 B6 -137.6(2) . . . . ?
B9 B11 B7 B6 -99.9(2) . . . . ?
B6 B11 B7 B2 37.21(19) . . . . ?
B10 B11 B7 B2 -0.2(3) . . . . ?
B8 B11 B7 B2 -100.3(2) . . . . ?
B9 B11 B7 B2 -62.6(3) . . . . ?
B6 B11 B7 B3 100.0(2) . . . . ?
B10 B11 B7 B3 62.7(3) . . . . ?
B8 B11 B7 B3 -37.51(19) . . . . ?
B9 B11 B7 B3 0.2(3) . . . . ?
B6 B11 B7 B8 137.6(2) . . . . ?
B10 B11 B7 B8 100.2(2) . . . . ?
B9 B11 B7 B8 37.70(18) . . . . ?
C1 B3 B7 B6 0.9(3) . . . . ?
B2 B3 B7 B6 -38.13(19) . . . . ?
B4 B3 B7 B6 63.7(2) . . . . ?
B8 B3 B7 B6 100.6(2) . . . . ?
C1 B3 B7 B2 39.05(18) . . . . ?
B4 B3 B7 B2 101.8(2) . . . . ?
B8 B3 B7 B2 138.7(2) . . . . ?
C1 B3 B7 B11 -62.2(2) . . . . ?
B2 B3 B7 B11 -101.3(2) . . . . ?
B4 B3 B7 B11 0.6(3) . . . . ?
B8 B3 B7 B11 37.48(19) . . . . ?
C1 B3 B7 B8 -99.7(2) . . . . ?
B2 B3 B7 B8 -138.7(2) . . . . ?
B4 B3 B7 B8 -36.93(18) . . . . ?
B4 B8 B7 B6 -63.1(2) . . . . ?
B11 B8 B7 B6 37.74(19) . . . . ?
B3 B8 B7 B6 -100.2(2) . . . . ?
B9 B8 B7 B6 0.0(3) . . . . ?
B4 B8 B7 B2 0.5(3) . . . . ?
B11 B8 B7 B2 101.4(2) . . . . ?
B3 B8 B7 B2 -36.60(19) . . . . ?
B9 B8 B7 B2 63.6(2) . . . . ?
B4 B8 B7 B11 -100.8(2) . . . . ?
B3 B8 B7 B11 -138.0(2) . . . . ?
B9 B8 B7 B11 -37.76(18) . . . . ?
B4 B8 B7 B3 37.12(18) . . . . ?
B11 B8 B7 B3 138.0(2) . . . . ?
B9 B8 B7 B3 100.2(2) . . . . ?
C1 C2 B2 B3 38.85(17) . . . . ?
B10 C2 B2 B3 -67.2(2) . . . . ?
B6 C2 B2 B3 -102.9(2) . . . . ?
B5 C2 B2 B3 4.9(3) . . . . ?
B10 C2 B2 C1 -106.0(2) . . . . ?
B6 C2 B2 C1 -141.7(2) . . . . ?
B5 C2 B2 C1 -33.95(18) . . . . ?
C1 C2 B2 B7 101.4(2) . . . . ?
B10 C2 B2 B7 -4.6(3) . . . . ?
B6 C2 B2 B7 -40.27(18) . . . . ?
B5 C2 B2 B7 67.5(2) . . . . ?
C1 C2 B2 B6 141.7(2) . . . . ?
B10 C2 B2 B6 35.7(2) . . . . ?
B5 C2 B2 B6 107.8(2) . . . . ?
C1 B3 B2 C2 -38.02(16) . . . . ?
B4 B3 B2 C2 -1.7(3) . . . . ?
B7 B3 B2 C2 98.5(2) . . . . ?
B8 B3 B2 C2 61.5(2) . . . . ?
B4 B3 B2 C1 36.28(17) . . . . ?
B7 B3 B2 C1 136.5(2) . . . . ?
B8 B3 B2 C1 99.5(2) . . . . ?
C1 B3 B2 B7 -136.5(2) . . . . ?
B4 B3 B2 B7 -100.2(2) . . . . ?
B8 B3 B2 B7 -36.99(18) . . . . ?
C1 B3 B2 B6 -98.6(2) . . . . ?
B4 B3 B2 B6 -62.3(2) . . . . ?
B7 B3 B2 B6 37.89(18) . . . . ?
B8 B3 B2 B6 0.9(2) . . . . ?
B1 C1 B2 C2 -110.97(18) . . . . ?
B5 C1 B2 C2 31.81(18) . . . . ?
B3 C1 B2 C2 134.5(2) . . . . ?
B4 C1 B2 C2 97.19(19) . . . . ?
C2 C1 B2 B3 -134.5(2) . . . . ?
B1 C1 B2 B3 114.48(19) . . . . ?
B5 C1 B2 B3 -102.7(2) . . . . ?
B4 C1 B2 B3 -37.35(18) . . . . ?
C2 C1 B2 B7 -95.7(2) . . . . ?
B1 C1 B2 B7 153.35(18) . . . . ?
B5 C1 B2 B7 -63.9(2) . . . . ?
B3 C1 B2 B7 38.87(19) . . . . ?
B4 C1 B2 B7 1.5(3) . . . . ?
C2 C1 B2 B6 -33.30(18) . . . . ?
B1 C1 B2 B6 -144.27(18) . . . . ?
B5 C1 B2 B6 -1.5(3) . . . . ?
B3 C1 B2 B6 101.2(2) . . . . ?
B4 C1 B2 B6 63.9(2) . . . . ?
B6 B7 B2 C2 39.66(18) . . . . ?
B11 B7 B2 C2 2.6(3) . . . . ?
B3 B7 B2 C2 -97.60(19) . . . . ?
B8 B7 B2 C2 -60.8(2) . . . . ?
B6 B7 B2 B3 137.3(2) . . . . ?
B11 B7 B2 B3 100.2(2) . . . . ?
B8 B7 B2 B3 36.85(19) . . . . ?
B6 B7 B2 C1 99.2(2) . . . . ?
B11 B7 B2 C1 62.2(2) . . . . ?
B3 B7 B2 C1 -38.07(17) . . . . ?
B8 B7 B2 C1 -1.2(3) . . . . ?
B11 B7 B2 B6 -37.02(19) . . . . ?
B3 B7 B2 B6 -137.3(2) . . . . ?
B8 B7 B2 B6 -100.4(2) . . . . ?
B7 B6 B2 C2 -133.2(2) . . . . ?
B11 B6 B2 C2 -95.7(2) . . . . ?
B10 B6 B2 C2 -31.76(18) . . . . ?
C2 B6 B2 B3 94.8(2) . . . . ?
B7 B6 B2 B3 -38.41(18) . . . . ?
B11 B6 B2 B3 -0.9(3) . . . . ?
B10 B6 B2 B3 63.1(2) . . . . ?
C2 B6 B2 C1 32.88(17) . . . . ?
B7 B6 B2 C1 -100.3(2) . . . . ?
B11 B6 B2 C1 -62.8(2) . . . . ?
B10 B6 B2 C1 1.1(3) . . . . ?
C2 B6 B2 B7 133.2(2) . . . . ?
B11 B6 B2 B7 37.52(19) . . . . ?
B10 B6 B2 B7 101.5(2) . . . . ?

_refine_diff_density_max         0.379
_refine_diff_density_min         -0.394
_refine_diff_density_rms         0.062

_shelxl_version_number           2013-4


# SQUEEZE RESULTS (Version =  30118)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.282 110 37 ' '
2 0.000 0.000 0.718 110 37 ' '
3 0.333 0.667 0.385 110 37 ' '
4 0.333 0.667 0.949 110 37 ' '
5 0.667 0.333 0.051 110 37 ' '
6 0.667 0.333 0.615 110 37 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
'A DISORDERED BENZENE MOLECULE WOULD NOT RESOLVE BY TRADITIONAL DISORDER MODELING AND THE SQUEEZE TOOL WAS USED AS THE SOLVENT DOES NOT INTERACT OR CHANGE THE MOLECULE OF INTEREST WITHIN THE MODEL'

# start Validation Reply Form
_vrf_PLAT990_Ph3PSiEt3_HBoCb3    
;
PROBLEM: Deprecated .res/.hkl Input Style SQUEEZE Job ...          ! Note  
RESPONSE: 'A DISORDERED BENZENE MOLECULE WOULD NOT RESOLVE BY TRADITIONAL 
DISORDER MODELING AND THE SQUEEZE TOOL WAS USED AS THE SOLVENT DOES NOT 
INTERACT OR CHANGE THE MOLECULE OF INTEREST WITHIN THE MODEL'
;
# end Validation Reply Form  
_exptl_crystal_recrystallization_method 'Vapour deposition'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# 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_26_CH3_2_C6H3NC_BoCb3
_database_code_depnum_ccdc_archive 'CCDC 2259757'
loop_
_audit_author_name
_audit_author_address
'Sanjay Dutta'
;Department of Chemistry and Biochemistry, Baylor University, Waco Texas
United States of America
;
_audit_update_record             
;
2023-04-28 deposited with the CCDC.	2023-06-21 downloaded from the CCDC.
;
_audit_creation_date             2023-03-21
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
'Triscarborane_26dimethylphenylsiocyanide adduct'
_chemical_formula_moiety         'C15 H42 B31 N'
_chemical_formula_sum            'C15 H42 B31 N'
_chemical_formula_weight         571.60
_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'
N N 0.0061 0.0033 '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'

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

_cell_length_a                   11.0762(5)
_cell_length_b                   12.7163(5)
_cell_length_c                   12.9783(5)
_cell_angle_alpha                87.269(2)
_cell_angle_beta                 66.922(2)
_cell_angle_gamma                78.596(2)
_cell_volume                     1647.58(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9876
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.09
_cell_measurement_theta_min      2.32
_shelx_estimated_absorpt_T_max   0.995
_shelx_estimated_absorpt_T_min   0.989
_exptl_absorpt_coefficient_mu    0.051
_exptl_absorpt_correction_T_max  0.947
_exptl_absorpt_correction_T_min  0.941
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_process_details   SADabs
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.152
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             588
_exptl_crystal_size_max          0.214
_exptl_crystal_size_mid          0.158
_exptl_crystal_size_min          0.095
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0473
_diffrn_reflns_av_unetI/netI     0.0276
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            47136
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.732
_diffrn_reflns_theta_min         2.851
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.997
_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                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6107
_reflns_number_total             6965
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.304
_refine_diff_density_min         -0.243
_refine_diff_density_rms         0.038
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     525
_refine_ls_number_reflns         6965
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0468
_refine_ls_R_factor_gt           0.0407
_refine_ls_restrained_S_all      1.049
_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)+(0.0595P)²+0.4550P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1080
_refine_ls_wR_factor_ref         0.1126
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Aromatic/amide H refined with riding coordinates:
 C10(H3), C11(H1), C12(H37)
1.b Idealised Me refined as rotating group:
 C14(H4,H5,H6), C15(H38,H39,H40)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     'DIRECT METHODS'
_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
B1 B 0.41089(12) 0.72546(10) 0.29174(10) 0.0144(2) Uani 1 1 d . . . . .
B2 B 0.65691(13) 0.84127(10) 0.19766(11) 0.0178(3) Uani 1 1 d . . . . .
B3 B 0.81512(13) 0.79690(11) 0.08966(11) 0.0195(3) Uani 1 1 d . . . . .
B4 B 0.91063(13) 0.70052(11) 0.14760(11) 0.0216(3) Uani 1 1 d . . . . .
B5 B 0.80088(13) 0.81463(11) 0.22990(11) 0.0205(3) Uani 1 1 d . . . . .
B6 B 0.82816(13) 0.59024(11) 0.18905(12) 0.0219(3) Uani 1 1 d . . . . .
B7 B 0.83265(13) 0.65797(11) 0.06504(11) 0.0203(3) Uani 1 1 d . . . . .
B8 B 0.66819(13) 0.63591(11) 0.29751(11) 0.0196(3) Uani 1 1 d . . . . .
B9 B 0.80774(13) 0.68690(12) 0.29195(11) 0.0221(3) Uani 1 1 d . . . . .
B10 B 0.65115(13) 0.77415(11) 0.32060(11) 0.0193(3) Uani 1 1 d . . . . .
B11 B 0.67428(13) 0.74511(10) 0.09573(10) 0.0177(2) Uani 1 1 d . . . . .
B12 B 0.43034(13) 0.53352(11) 0.15236(11) 0.0197(3) Uani 1 1 d . . . . .
B13 B 0.42830(14) 0.39571(11) 0.18221(13) 0.0245(3) Uani 1 1 d . . . . .
B14 B 0.29431(14) 0.47584(11) 0.15555(12) 0.0231(3) Uani 1 1 d . . . . .
B15 B 0.25903(14) 0.38370(11) 0.26557(13) 0.0262(3) Uani 1 1 d . . . . .
B16 B 0.37313(14) 0.38406(11) 0.33073(13) 0.0248(3) Uani 1 1 d . . . . .
B17 B 0.20642(14) 0.45838(11) 0.39497(12) 0.0233(3) Uani 1 1 d . . . . .
B18 B 0.21007(13) 0.59456(11) 0.36317(11) 0.0186(3) Uani 1 1 d . . . . .
B19 B 0.34392(13) 0.51458(11) 0.38991(11) 0.0201(3) Uani 1 1 d . . . . .
B21 B 0.47850(13) 0.47465(10) 0.26089(12) 0.0205(3) Uani 1 1 d . . . . .
B22 B 0.15802(13) 0.51412(11) 0.28603(12) 0.0220(3) Uani 1 1 d . . . . .
B23 B 0.13793(13) 0.94353(11) 0.16055(11) 0.0203(3) Uani 1 1 d . . . . .
B24 B 0.14777(12) 0.84788(10) 0.26283(11) 0.0176(3) Uani 1 1 d . . . . .
B25 B 0.28881(13) 0.84887(10) 0.13574(10) 0.0177(3) Uani 1 1 d . . . . .
B26 B 0.29327(14) 0.98610(11) 0.10032(11) 0.0209(3) Uani 1 1 d . . . . .
B27 B 0.15644(14) 1.06876(11) 0.20562(12) 0.0230(3) Uani 1 1 d . . . . .
B28 B 0.06658(13) 0.98275(11) 0.30560(11) 0.0206(3) Uani 1 1 d . . . . .
B29 B 0.17272(13) 0.91113(10) 0.36905(11) 0.0182(3) Uani 1 1 d . . . . .
B30 B 0.32731(13) 0.95360(10) 0.30907(11) 0.0175(3) Uani 1 1 d . . . . .
B31 B 0.31882(14) 1.05044(10) 0.20723(12) 0.0216(3) Uani 1 1 d . . . . .
B32 B 0.17824(13) 1.04820(11) 0.33496(11) 0.0213(3) Uani 1 1 d . . . . .
C1 C 0.57837(11) 0.72997(9) 0.23829(9) 0.0153(2) Uani 1 1 d . . . . .
C2 C 0.68920(11) 0.62686(9) 0.15993(9) 0.0180(2) Uani 1 1 d . . . . .
C3 C 0.37533(11) 0.60307(9) 0.28000(9) 0.0159(2) Uani 1 1 d . . . . .
C4 C 0.26876(11) 0.59511(9) 0.22046(9) 0.0176(2) Uani 1 1 d . . . . .
C5 C 0.30981(10) 0.83382(9) 0.26266(9) 0.0148(2) Uani 1 1 d . . . . .
C6 C 0.38399(11) 0.91897(9) 0.16978(9) 0.0171(2) Uani 1 1 d . . . . .
C7 C 0.36422(10) 0.74256(9) 0.42710(9) 0.0157(2) Uani 1 1 d . . . . .
C8 C 0.27496(11) 0.77560(9) 0.63929(9) 0.0165(2) Uani 1 1 d . . . . .
C9 C 0.32814(12) 0.84640(9) 0.68130(10) 0.0208(2) Uani 1 1 d . . . . .
C10 C 0.28276(13) 0.85618(11) 0.79726(10) 0.0276(3) Uani 1 1 d . . . . .
H3 H 0.316935 0.902587 0.829494 0.033 Uiso 1 1 calc R U . . .
C11 C 0.18879(13) 0.79957(11) 0.86645(10) 0.0281(3) Uani 1 1 d . . . . .
H1 H 0.161377 0.805541 0.945412 0.034 Uiso 1 1 calc R U . . .
C12 C 0.13447(12) 0.73436(10) 0.82151(10) 0.0231(3) Uani 1 1 d . . . . .
H37 H 0.068417 0.697353 0.870337 0.028 Uiso 1 1 calc R U . . .
C13 C 0.17445(11) 0.72176(9) 0.70639(9) 0.0185(2) Uani 1 1 d . . . . .
C14 C 0.42626(14) 0.91083(11) 0.60681(11) 0.0286(3) Uani 1 1 d . . . . .
H4 H 0.421441 0.974954 0.648340 0.043 Uiso 1 1 calc R U . . .
H5 H 0.404748 0.932401 0.541516 0.043 Uiso 1 1 calc R U . . .
H6 H 0.516843 0.867319 0.581798 0.043 Uiso 1 1 calc R U . . .
C15 C 0.10616(13) 0.65910(11) 0.65842(10) 0.0256(3) Uani 1 1 d . . . . .
H38 H 0.076183 0.703285 0.605771 0.038 Uiso 1 1 calc R U . . .
H39 H 0.028753 0.638863 0.719133 0.038 Uiso 1 1 calc R U . . .
H40 H 0.168913 0.594200 0.619024 0.038 Uiso 1 1 calc R U . . .
H000 H 0.0799(15) 0.9357(12) 0.1140(12) 0.031 Uiso 1 1 d . U . . .
H001 H 0.2432(15) 0.6589(13) 0.1864(13) 0.031 Uiso 1 1 d . U . . .
H2 H 1.0195(15) 0.6887(12) 0.1177(12) 0.031 Uiso 1 1 d . U . . .
H7 H 0.8705(15) 0.5072(12) 0.1825(12) 0.031 Uiso 1 1 d . U . . .
H8 H 0.8761(15) 0.6156(12) -0.0149(12) 0.031 Uiso 1 1 d . U . . .
H9 H 0.5038(15) 0.3348(12) 0.1235(12) 0.031 Uiso 1 1 d . U . . .
H10 H 0.1322(15) 0.4390(12) 0.4725(12) 0.031 Uiso 1 1 d . U . . .
H12 H 0.5771(15) 0.4656(12) 0.2572(12) 0.031 Uiso 1 1 d . U . . .
H13 H 0.1462(15) 0.6670(12) 0.4090(12) 0.031 Uiso 1 1 d . U . . .
H14 H 0.0567(15) 0.5389(12) 0.2897(12) 0.031 Uiso 1 1 d . U . . .
H15 H 0.4098(15) 0.3166(12) 0.3721(12) 0.031 Uiso 1 1 d . U . . .
H16 H 0.2228(15) 0.3131(12) 0.2595(12) 0.031 Uiso 1 1 d . U . . .
H17 H 0.2771(15) 0.4776(12) 0.0782(13) 0.031 Uiso 1 1 d . U . . .
H18 H 0.4908(15) 0.5699(12) 0.0802(12) 0.031 Uiso 1 1 d . U . . .
H19 H 0.4784(15) 0.8965(12) 0.1297(13) 0.031 Uiso 1 1 d . U . . .
H20 H 0.4002(15) 0.9465(12) 0.3469(12) 0.031 Uiso 1 1 d . U . . .
H21 H 0.1484(15) 1.1107(12) 0.4033(12) 0.031 Uiso 1 1 d . U . . .
H22 H 0.3901(15) 1.1033(12) 0.1827(12) 0.031 Uiso 1 1 d . U . . .
H23 H 0.1433(15) 0.8793(12) 0.4524(13) 0.031 Uiso 1 1 d . U . . .
H24 H -0.0412(15) 1.0010(12) 0.3516(12) 0.031 Uiso 1 1 d . U . . .
H25 H 0.1093(15) 1.1438(12) 0.1853(12) 0.031 Uiso 1 1 d . U . . .
H26 H 0.3478(15) 1.0016(12) 0.0118(12) 0.031 Uiso 1 1 d . U . . .
H27 H 0.3386(15) 0.7826(12) 0.0735(12) 0.031 Uiso 1 1 d . U . . .
H28 H 0.0956(15) 0.7811(12) 0.2828(12) 0.031 Uiso 1 1 d . U . . .
H29 H 0.8462(15) 0.6669(12) 0.3565(12) 0.031 Uiso 1 1 d . U . . .
H30 H 0.5811(15) 0.8084(12) 0.4037(12) 0.031 Uiso 1 1 d . U . . .
H31 H 0.6122(15) 0.5847(12) 0.3588(13) 0.031 Uiso 1 1 d . U . . .
H32 H 0.6236(15) 0.7541(12) 0.0378(12) 0.031 Uiso 1 1 d . U . . .
H33 H 0.6529(15) 0.5723(12) 0.1386(12) 0.031 Uiso 1 1 d . U . . .
H34 H 0.8306(15) 0.8815(12) 0.2580(12) 0.031 Uiso 1 1 d . U . . .
H35 H 0.8594(15) 0.8460(12) 0.0248(12) 0.031 Uiso 1 1 d . U . . .
H36 H 0.5980(15) 0.9207(12) 0.2014(12) 0.031 Uiso 1 1 d . U . . .
H100 H 0.3648(15) 0.5331(12) 0.4615(13) 0.031 Uiso 1 1 d . U . . .
N1 N 0.32449(9) 0.75862(7) 0.52181(8) 0.0158(2) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
B1 C1 1.7191(16) . ?
B1 C3 1.7066(16) . ?
B1 C5 1.7223(16) . ?
B1 C7 1.6373(15) . ?
B2 B3 1.7643(18) . ?
B2 B5 1.7688(18) . ?
B2 B10 1.7580(18) . ?
B2 B11 1.7731(18) . ?
B2 C1 1.7590(17) . ?
B2 H36 1.080(15) . ?
B3 B4 1.7916(19) . ?
B3 B5 1.7856(19) . ?
B3 B7 1.7694(19) . ?
B3 B11 1.7828(18) . ?
B3 H35 1.042(15) . ?
B4 B5 1.7767(19) . ?
B4 B6 1.772(2) . ?
B4 B7 1.7756(19) . ?
B4 B9 1.7921(19) . ?
B4 H2 1.093(15) . ?
B5 B9 1.780(2) . ?
B5 B10 1.7750(18) . ?
B5 H34 1.095(15) . ?
B6 B7 1.7767(19) . ?
B6 B8 1.7816(18) . ?
B6 B9 1.776(2) . ?
B6 C2 1.6984(17) . ?
B6 H7 1.060(15) . ?
B7 B11 1.7858(18) . ?
B7 C2 1.6928(17) . ?
B7 H8 1.076(15) . ?
B8 B9 1.7661(19) . ?
B8 B10 1.7579(19) . ?
B8 C1 1.7472(16) . ?
B8 C2 1.7144(17) . ?
B8 H31 1.080(15) . ?
B9 B10 1.7748(19) . ?
B9 H29 1.079(15) . ?
B10 C1 1.7372(16) . ?
B10 H30 1.100(15) . ?
B11 C1 1.7593(16) . ?
B11 C2 1.6950(17) . ?
B11 H32 1.091(15) . ?
B12 B13 1.7792(19) . ?
B12 B14 1.7874(19) . ?
B12 B21 1.7776(19) . ?
B12 C3 1.7416(16) . ?
B12 C4 1.6939(17) . ?
B12 H18 1.063(15) . ?
B13 B14 1.770(2) . ?
B13 B15 1.793(2) . ?
B13 B16 1.788(2) . ?
B13 B21 1.7672(19) . ?
B13 H9 1.086(15) . ?
B14 B15 1.774(2) . ?
B14 B22 1.7797(19) . ?
B14 C4 1.6898(17) . ?
B14 H17 1.092(15) . ?
B15 B16 1.776(2) . ?
B15 B17 1.797(2) . ?
B15 B22 1.7742(19) . ?
B15 H16 1.072(15) . ?
B16 B17 1.7821(19) . ?
B16 B19 1.7786(19) . ?
B16 B21 1.7644(19) . ?
B16 H15 1.086(15) . ?
B17 B18 1.7656(19) . ?
B17 B19 1.7838(19) . ?
B17 B22 1.771(2) . ?
B17 H10 1.076(15) . ?
B18 B19 1.7681(18) . ?
B18 B22 1.7789(19) . ?
B18 C3 1.7452(17) . ?
B18 C4 1.7059(17) . ?
B18 H13 1.080(15) . ?
B19 B21 1.7631(19) . ?
B19 C3 1.7421(17) . ?
B19 H100 1.088(15) . ?
B21 C3 1.7642(17) . ?
B21 H12 1.058(15) . ?
B22 C4 1.6992(18) . ?
B22 H14 1.087(15) . ?
B23 B24 1.7778(19) . ?
B23 B25 1.7792(18) . ?
B23 B26 1.771(2) . ?
B23 B27 1.7977(19) . ?
B23 B28 1.7845(18) . ?
B23 H000 1.060(15) . ?
B24 B25 1.7740(18) . ?
B24 B28 1.7742(18) . ?
B24 B29 1.7652(17) . ?
B24 C5 1.7673(16) . ?
B24 H28 1.085(15) . ?
B25 B26 1.7885(19) . ?
B25 C5 1.7484(16) . ?
B25 C6 1.6957(17) . ?
B25 H27 1.094(15) . ?
B26 B27 1.7755(19) . ?
B26 B31 1.7840(19) . ?
B26 C6 1.6878(17) . ?
B26 H26 1.098(15) . ?
B27 B28 1.776(2) . ?
B27 B31 1.7757(19) . ?
B27 B32 1.7877(19) . ?
B27 H25 1.068(15) . ?
B28 B29 1.7758(18) . ?
B28 B32 1.7816(19) . ?
B28 H24 1.086(15) . ?
B29 B30 1.7636(18) . ?
B29 B32 1.7847(19) . ?
B29 C5 1.7533(16) . ?
B29 H23 1.083(15) . ?
B30 B31 1.7802(19) . ?
B30 B32 1.7620(18) . ?
B30 C5 1.7367(16) . ?
B30 C6 1.7126(16) . ?
B30 H20 1.085(15) . ?
B31 B32 1.778(2) . ?
B31 C6 1.6964(17) . ?
B31 H22 1.081(15) . ?
B32 H21 1.122(15) . ?
C1 C2 1.6651(15) . ?
C2 H33 0.968(15) . ?
C3 C4 1.6645(15) . ?
C4 H001 0.952(16) . ?
C5 C6 1.6587(15) . ?
C6 H19 0.957(15) . ?
C7 N1 1.1448(14) . ?
C8 C9 1.4011(16) . ?
C8 C13 1.3968(16) . ?
C8 N1 1.4145(13) . ?
C9 C10 1.3905(16) . ?
C9 C14 1.4966(17) . ?
C10 H3 0.9500 . ?
C10 C11 1.3819(18) . ?
C11 H1 0.9500 . ?
C11 C12 1.3814(18) . ?
C12 H37 0.9500 . ?
C12 C13 1.3893(16) . ?
C13 C15 1.4999(16) . ?
C14 H4 0.9800 . ?
C14 H5 0.9800 . ?
C14 H6 0.9800 . ?
C15 H38 0.9800 . ?
C15 H39 0.9800 . ?
C15 H40 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 B1 C5 115.18(9) . . ?
C3 B1 C1 115.05(8) . . ?
C3 B1 C5 115.51(8) . . ?
C7 B1 C1 103.88(8) . . ?
C7 B1 C3 103.08(8) . . ?
C7 B1 C5 101.39(8) . . ?
B3 B2 B5 60.72(7) . . ?
B3 B2 B11 60.53(7) . . ?
B3 B2 H36 122.9(8) . . ?
B5 B2 B11 109.16(9) . . ?
B5 B2 H36 123.6(8) . . ?
B10 B2 B3 109.01(9) . . ?
B10 B2 B5 60.44(7) . . ?
B10 B2 B11 108.36(9) . . ?
B10 B2 C1 59.20(7) . . ?
B10 B2 H36 121.0(8) . . ?
B11 B2 H36 119.8(8) . . ?
C1 B2 B3 107.59(9) . . ?
C1 B2 B5 107.29(9) . . ?
C1 B2 B11 59.74(7) . . ?
C1 B2 H36 120.2(8) . . ?
B2 B3 B4 107.40(9) . . ?
B2 B3 B5 59.77(7) . . ?
B2 B3 B7 107.75(9) . . ?
B2 B3 B11 59.98(7) . . ?
B2 B3 H35 122.3(8) . . ?
B4 B3 H35 122.4(8) . . ?
B5 B3 B4 59.56(7) . . ?
B5 B3 H35 123.2(8) . . ?
B7 B3 B4 59.81(8) . . ?
B7 B3 B5 107.41(9) . . ?
B7 B3 B11 60.36(7) . . ?
B7 B3 H35 121.0(8) . . ?
B11 B3 B4 108.22(9) . . ?
B11 B3 B5 107.97(9) . . ?
B11 B3 H35 120.4(8) . . ?
B3 B4 B9 107.79(9) . . ?
B3 B4 H2 122.6(8) . . ?
B5 B4 B3 60.05(7) . . ?
B5 B4 B9 59.82(8) . . ?
B5 B4 H2 123.1(8) . . ?
B6 B4 B3 107.55(9) . . ?
B6 B4 B5 107.53(9) . . ?
B6 B4 B7 60.11(8) . . ?
B6 B4 B9 59.78(8) . . ?
B6 B4 H2 120.8(8) . . ?
B7 B4 B3 59.47(7) . . ?
B7 B4 B5 107.53(9) . . ?
B7 B4 B9 107.80(9) . . ?
B7 B4 H2 121.2(8) . . ?
B9 B4 H2 121.9(8) . . ?
B2 B5 B3 59.52(7) . . ?
B2 B5 B4 107.87(9) . . ?
B2 B5 B9 107.79(9) . . ?
B2 B5 B10 59.48(7) . . ?
B2 B5 H34 118.7(8) . . ?
B3 B5 H34 123.6(8) . . ?
B4 B5 B3 60.39(7) . . ?
B4 B5 B9 60.52(8) . . ?
B4 B5 H34 126.1(8) . . ?
B9 B5 B3 108.60(9) . . ?
B9 B5 H34 122.1(8) . . ?
B10 B5 B3 107.29(9) . . ?
B10 B5 B4 107.99(10) . . ?
B10 B5 B9 59.91(8) . . ?
B10 B5 H34 118.0(8) . . ?
B4 B6 B7 60.05(8) . . ?
B4 B6 B8 108.29(10) . . ?
B4 B6 B9 60.67(8) . . ?
B4 B6 H7 128.7(8) . . ?
B7 B6 B8 108.24(9) . . ?
B7 B6 H7 118.5(8) . . ?
B8 B6 H7 118.3(8) . . ?
B9 B6 B7 108.46(10) . . ?
B9 B6 B8 59.52(7) . . ?
B9 B6 H7 128.6(8) . . ?
C2 B6 B4 104.24(9) . . ?
C2 B6 B7 58.25(7) . . ?
C2 B6 B8 58.97(7) . . ?
C2 B6 B9 104.27(9) . . ?
C2 B6 H7 117.0(8) . . ?
B3 B7 B4 60.71(8) . . ?
B3 B7 B6 108.32(9) . . ?
B3 B7 B11 60.19(7) . . ?
B3 B7 H8 127.0(8) . . ?
B4 B7 B6 59.85(8) . . ?
B4 B7 B11 108.80(9) . . ?
B4 B7 H8 130.1(8) . . ?
B6 B7 B11 108.07(9) . . ?
B6 B7 H8 120.9(8) . . ?
B11 B7 H8 115.9(8) . . ?
C2 B7 B3 104.14(9) . . ?
C2 B7 B4 104.31(9) . . ?
C2 B7 B6 58.56(7) . . ?
C2 B7 B11 58.25(7) . . ?
C2 B7 H8 117.2(8) . . ?
B6 B8 H31 124.2(8) . . ?
B9 B8 B6 60.09(8) . . ?
B9 B8 H31 128.7(8) . . ?
B10 B8 B6 107.73(10) . . ?
B10 B8 B9 60.48(8) . . ?
B10 B8 H31 123.8(8) . . ?
C1 B8 B6 106.54(9) . . ?
C1 B8 B9 107.62(9) . . ?
C1 B8 B10 59.42(7) . . ?
C1 B8 H31 116.6(8) . . ?
C2 B8 B6 58.09(7) . . ?
C2 B8 B9 104.04(9) . . ?
C2 B8 B10 103.19(9) . . ?
C2 B8 C1 57.49(6) . . ?
C2 B8 H31 120.8(8) . . ?
B4 B9 H29 123.9(8) . . ?
B5 B9 B4 59.66(8) . . ?
B5 B9 H29 123.7(8) . . ?
B6 B9 B4 59.55(8) . . ?
B6 B9 B5 107.21(9) . . ?
B6 B9 H29 121.7(8) . . ?
B8 B9 B4 108.08(9) . . ?
B8 B9 B5 107.87(9) . . ?
B8 B9 B6 60.39(8) . . ?
B8 B9 B10 59.53(7) . . ?
B8 B9 H29 119.3(8) . . ?
B10 B9 B4 107.32(9) . . ?
B10 B9 B5 59.92(8) . . ?
B10 B9 B6 107.21(9) . . ?
B10 B9 H29 121.3(8) . . ?
B2 B10 B5 60.08(7) . . ?
B2 B10 B9 108.48(9) . . ?
B2 B10 H30 121.2(8) . . ?
B5 B10 H30 128.2(8) . . ?
B8 B10 B2 108.97(9) . . ?
B8 B10 B5 108.44(9) . . ?
B8 B10 B9 59.99(8) . . ?
B8 B10 H30 116.9(8) . . ?
B9 B10 B5 60.18(8) . . ?
B9 B10 H30 125.4(8) . . ?
C1 B10 B2 60.43(7) . . ?
C1 B10 B5 107.98(9) . . ?
C1 B10 B8 59.98(7) . . ?
C1 B10 B9 107.67(9) . . ?
C1 B10 H30 115.4(8) . . ?
B2 B11 B3 59.49(7) . . ?
B2 B11 B7 106.64(9) . . ?
B2 B11 H32 126.7(8) . . ?
B3 B11 B7 59.45(7) . . ?
B3 B11 H32 129.8(8) . . ?
B7 B11 H32 122.3(8) . . ?
C1 B11 B2 59.73(7) . . ?
C1 B11 B3 106.76(9) . . ?
C1 B11 B7 106.21(9) . . ?
C1 B11 H32 117.8(8) . . ?
C2 B11 B2 103.36(9) . . ?
C2 B11 B3 103.48(9) . . ?
C2 B11 B7 58.13(7) . . ?
C2 B11 C1 57.60(6) . . ?
C2 B11 H32 118.9(8) . . ?
B13 B12 B14 59.49(8) . . ?
B13 B12 H18 130.4(8) . . ?
B14 B12 H18 122.7(8) . . ?
B21 B12 B13 59.58(8) . . ?
B21 B12 B14 106.92(10) . . ?
B21 B12 H18 126.4(8) . . ?
C3 B12 B13 107.20(9) . . ?
C3 B12 B14 106.45(9) . . ?
C3 B12 B21 60.17(7) . . ?
C3 B12 H18 116.7(8) . . ?
C4 B12 B13 103.67(9) . . ?
C4 B12 B14 58.00(7) . . ?
C4 B12 B21 104.05(9) . . ?
C4 B12 C3 57.94(6) . . ?
C4 B12 H18 118.2(8) . . ?
B12 B13 B15 108.11(9) . . ?
B12 B13 B16 107.55(9) . . ?
B12 B13 H9 119.1(8) . . ?
B14 B13 B12 60.48(8) . . ?
B14 B13 B15 59.73(8) . . ?
B14 B13 B16 107.15(10) . . ?
B14 B13 H9 123.7(8) . . ?
B15 B13 H9 125.5(8) . . ?
B16 B13 B15 59.45(8) . . ?
B16 B13 H9 122.6(8) . . ?
B21 B13 B12 60.16(7) . . ?
B21 B13 B14 108.16(9) . . ?
B21 B13 B15 107.45(10) . . ?
B21 B13 B16 59.51(8) . . ?
B21 B13 H9 118.5(8) . . ?
B12 B14 H17 116.7(8) . . ?
B13 B14 B12 60.03(8) . . ?
B13 B14 B15 60.80(8) . . ?
B13 B14 B22 108.46(10) . . ?
B13 B14 H17 127.3(8) . . ?
B15 B14 B12 108.59(10) . . ?
B15 B14 B22 59.90(8) . . ?
B15 B14 H17 129.7(8) . . ?
B22 B14 B12 107.92(9) . . ?
B22 B14 H17 120.3(8) . . ?
C4 B14 B12 58.23(7) . . ?
C4 B14 B13 104.26(9) . . ?
C4 B14 B15 104.42(10) . . ?
C4 B14 B22 58.58(7) . . ?
C4 B14 H17 117.1(8) . . ?
B13 B15 B17 107.81(10) . . ?
B13 B15 H16 121.1(8) . . ?
B14 B15 B13 59.47(8) . . ?
B14 B15 B16 107.47(10) . . ?
B14 B15 B17 107.57(9) . . ?
B14 B15 H16 121.3(8) . . ?
B16 B15 B13 60.12(8) . . ?
B16 B15 B17 59.85(8) . . ?
B16 B15 H16 122.1(8) . . ?
B17 B15 H16 122.9(8) . . ?
B22 B15 B13 107.65(10) . . ?
B22 B15 B14 60.20(8) . . ?
B22 B15 B16 107.38(10) . . ?
B22 B15 B17 59.47(8) . . ?
B22 B15 H16 122.4(8) . . ?
B13 B16 H15 124.6(8) . . ?
B15 B16 B13 60.44(8) . . ?
B15 B16 B17 60.66(8) . . ?
B15 B16 B19 108.52(10) . . ?
B15 B16 H15 125.3(8) . . ?
B17 B16 B13 108.70(10) . . ?
B17 B16 H15 120.8(8) . . ?
B19 B16 B13 107.57(10) . . ?
B19 B16 B17 60.13(8) . . ?
B19 B16 H15 117.4(8) . . ?
B21 B16 B13 59.67(8) . . ?
B21 B16 B15 108.36(10) . . ?
B21 B16 B17 108.20(9) . . ?
B21 B16 B19 59.68(7) . . ?
B21 B16 H15 119.4(8) . . ?
B15 B17 H10 123.4(8) . . ?
B16 B17 B15 59.49(8) . . ?
B16 B17 B19 59.84(8) . . ?
B16 B17 H10 124.9(8) . . ?
B18 B17 B15 107.93(10) . . ?
B18 B17 B16 107.67(9) . . ?
B18 B17 B19 59.75(7) . . ?
B18 B17 B22 60.39(8) . . ?
B18 B17 H10 119.1(8) . . ?
B19 B17 B15 107.36(9) . . ?
B19 B17 H10 122.4(8) . . ?
B22 B17 B15 59.64(8) . . ?
B22 B17 B16 107.22(10) . . ?
B22 B17 B19 107.69(9) . . ?
B22 B17 H10 120.0(8) . . ?
B17 B18 B19 60.64(8) . . ?
B17 B18 B22 59.96(8) . . ?
B17 B18 H13 130.6(8) . . ?
B19 B18 B22 108.05(9) . . ?
B19 B18 H13 126.3(8) . . ?
B22 B18 H13 122.1(8) . . ?
C3 B18 B17 107.57(9) . . ?
C3 B18 B19 59.45(7) . . ?
C3 B18 B22 106.75(9) . . ?
C3 B18 H13 116.4(8) . . ?
C4 B18 B17 104.18(9) . . ?
C4 B18 B19 103.67(9) . . ?
C4 B18 B22 58.32(7) . . ?
C4 B18 C3 57.66(6) . . ?
C4 B18 H13 117.6(8) . . ?
B16 B19 B17 60.03(8) . . ?
B16 B19 H100 125.5(8) . . ?
B17 B19 H100 126.1(8) . . ?
B18 B19 B16 107.72(10) . . ?
B18 B19 B17 59.61(7) . . ?
B18 B19 H100 120.6(8) . . ?
B21 B19 B16 59.76(8) . . ?
B21 B19 B17 108.18(10) . . ?
B21 B19 B18 108.69(9) . . ?
B21 B19 H100 119.2(8) . . ?
C3 B19 B16 107.18(9) . . ?
C3 B19 B17 106.89(9) . . ?
C3 B19 B18 59.62(7) . . ?
C3 B19 B21 60.44(7) . . ?
C3 B19 H100 117.7(8) . . ?
B12 B21 H12 122.6(8) . . ?
B13 B21 B12 60.26(8) . . ?
B13 B21 H12 124.8(8) . . ?
B16 B21 B12 108.65(10) . . ?
B16 B21 B13 60.82(8) . . ?
B16 B21 H12 122.4(8) . . ?
B19 B21 B12 107.82(9) . . ?
B19 B21 B13 109.18(10) . . ?
B19 B21 B16 60.56(8) . . ?
B19 B21 C3 59.19(7) . . ?
B19 B21 H12 118.5(8) . . ?
C3 B21 B12 58.90(7) . . ?
C3 B21 B13 106.74(9) . . ?
C3 B21 B16 106.84(9) . . ?
C3 B21 H12 120.5(8) . . ?
B14 B22 H14 120.5(8) . . ?
B15 B22 B14 59.90(8) . . ?
B15 B22 B18 108.33(10) . . ?
B15 B22 H14 129.4(8) . . ?
B17 B22 B14 108.45(10) . . ?
B17 B22 B15 60.89(8) . . ?
B17 B22 B18 59.64(8) . . ?
B17 B22 H14 127.0(8) . . ?
B18 B22 B14 107.82(9) . . ?
B18 B22 H14 117.1(8) . . ?
C4 B22 B14 58.06(7) . . ?
C4 B22 B15 104.03(9) . . ?
C4 B22 B17 104.22(9) . . ?
C4 B22 B18 58.69(7) . . ?
C4 B22 H14 117.7(8) . . ?
B24 B23 B25 59.83(7) . . ?
B24 B23 B27 107.38(9) . . ?
B24 B23 B28 59.74(7) . . ?
B24 B23 H000 119.6(8) . . ?
B25 B23 B27 107.95(9) . . ?
B25 B23 B28 107.54(9) . . ?
B25 B23 H000 119.1(8) . . ?
B26 B23 B24 107.92(9) . . ?
B26 B23 B25 60.49(7) . . ?
B26 B23 B27 59.66(8) . . ?
B26 B23 B28 107.19(9) . . ?
B26 B23 H000 122.6(8) . . ?
B27 B23 H000 125.1(8) . . ?
B28 B23 B27 59.43(8) . . ?
B28 B23 H000 123.3(8) . . ?
B23 B24 H28 123.9(8) . . ?
B25 B24 B23 60.12(7) . . ?
B25 B24 B28 108.23(9) . . ?
B25 B24 H28 121.5(8) . . ?
B28 B24 B23 60.32(7) . . ?
B28 B24 H28 123.3(8) . . ?
B29 B24 B23 108.70(9) . . ?
B29 B24 B25 108.24(9) . . ?
B29 B24 B28 60.23(7) . . ?
B29 B24 C5 59.52(7) . . ?
B29 B24 H28 119.8(8) . . ?
C5 B24 B23 106.60(9) . . ?
C5 B24 B25 59.17(7) . . ?
C5 B24 B28 106.59(9) . . ?
C5 B24 H28 120.9(8) . . ?
B23 B25 B26 59.54(7) . . ?
B23 B25 H27 129.8(8) . . ?
B24 B25 B23 60.05(7) . . ?
B24 B25 B26 107.34(9) . . ?
B24 B25 H27 125.9(8) . . ?
B26 B25 H27 122.6(8) . . ?
C5 B25 B23 107.36(8) . . ?
C5 B25 B24 60.22(7) . . ?
C5 B25 B26 106.16(9) . . ?
C5 B25 H27 117.3(8) . . ?
C6 B25 B23 103.56(9) . . ?
C6 B25 B24 103.97(8) . . ?
C6 B25 B26 57.88(7) . . ?
C6 B25 C5 57.56(6) . . ?
C6 B25 H27 118.8(8) . . ?
B23 B26 B25 59.97(7) . . ?
B23 B26 B27 60.91(8) . . ?
B23 B26 B31 108.61(9) . . ?
B23 B26 H26 127.3(8) . . ?
B25 B26 H26 116.7(8) . . ?
B27 B26 B25 108.52(10) . . ?
B27 B26 B31 59.85(8) . . ?
B27 B26 H26 129.9(8) . . ?
B31 B26 B25 107.94(9) . . ?
B31 B26 H26 120.2(8) . . ?
C6 B26 B23 104.22(9) . . ?
C6 B26 B25 58.30(7) . . ?
C6 B26 B27 104.12(9) . . ?
C6 B26 B31 58.42(7) . . ?
C6 B26 H26 117.1(8) . . ?
B23 B27 H25 121.3(8) . . ?
B26 B27 B23 59.43(8) . . ?
B26 B27 B28 107.40(9) . . ?
B26 B27 B31 60.31(8) . . ?
B26 B27 B32 108.00(9) . . ?
B26 B27 H25 120.6(8) . . ?
B28 B27 B23 59.91(8) . . ?
B28 B27 B32 60.00(8) . . ?
B28 B27 H25 122.9(8) . . ?
B31 B27 B23 107.81(9) . . ?
B31 B27 B28 107.73(9) . . ?
B31 B27 B32 59.88(8) . . ?
B31 B27 H25 121.5(8) . . ?
B32 B27 B23 107.96(9) . . ?
B32 B27 H25 122.8(8) . . ?
B23 B28 H24 121.0(8) . . ?
B24 B28 B23 59.94(7) . . ?
B24 B28 B27 108.51(9) . . ?
B24 B28 B29 59.63(7) . . ?
B24 B28 B32 108.18(9) . . ?
B24 B28 H24 119.2(8) . . ?
B27 B28 B23 60.65(8) . . ?
B27 B28 B29 108.43(9) . . ?
B27 B28 B32 60.33(8) . . ?
B27 B28 H24 123.5(8) . . ?
B29 B28 B23 107.93(9) . . ?
B29 B28 B32 60.22(7) . . ?
B29 B28 H24 120.5(8) . . ?
B32 B28 B23 108.81(9) . . ?
B32 B28 H24 123.1(8) . . ?
B24 B29 B28 60.14(7) . . ?
B24 B29 B32 108.44(9) . . ?
B24 B29 H23 120.0(8) . . ?
B28 B29 B32 60.05(8) . . ?
B28 B29 H23 127.5(8) . . ?
B30 B29 B24 108.40(9) . . ?
B30 B29 B28 107.59(9) . . ?
B30 B29 B32 59.54(7) . . ?
B30 B29 H23 118.9(8) . . ?
B32 B29 H23 126.2(8) . . ?
C5 B29 B24 60.30(7) . . ?
C5 B29 B28 107.12(9) . . ?
C5 B29 B30 59.18(7) . . ?
C5 B29 B32 106.50(9) . . ?
C5 B29 H23 116.7(8) . . ?
B29 B30 B31 108.60(9) . . ?
B29 B30 H20 125.3(8) . . ?
B31 B30 H20 122.5(8) . . ?
B32 B30 B29 60.82(8) . . ?
B32 B30 B31 60.27(8) . . ?
B32 B30 H20 130.4(8) . . ?
C5 B30 B29 60.11(7) . . ?
C5 B30 B31 106.87(9) . . ?
C5 B30 B32 108.25(9) . . ?
C5 B30 H20 115.6(8) . . ?
C6 B30 B29 103.93(8) . . ?
C6 B30 B31 58.08(7) . . ?
C6 B30 B32 104.17(9) . . ?
C6 B30 C5 57.48(6) . . ?
C6 B30 H20 118.1(8) . . ?
B26 B31 H22 118.6(8) . . ?
B27 B31 B26 59.84(8) . . ?
B27 B31 B30 107.64(10) . . ?
B27 B31 B32 60.39(8) . . ?
B27 B31 H22 130.5(8) . . ?
B30 B31 B26 107.73(9) . . ?
B30 B31 H22 117.7(8) . . ?
B32 B31 B26 108.04(10) . . ?
B32 B31 B30 59.36(7) . . ?
B32 B31 H22 129.6(8) . . ?
C6 B31 B26 57.95(7) . . ?
C6 B31 B27 103.76(9) . . ?
C6 B31 B30 58.97(7) . . ?
C6 B31 B32 104.14(9) . . ?
C6 B31 H22 115.7(8) . . ?
B27 B32 H21 125.8(8) . . ?
B28 B32 B27 59.67(8) . . ?
B28 B32 B29 59.73(7) . . ?
B28 B32 H21 125.5(8) . . ?
B29 B32 B27 107.51(9) . . ?
B29 B32 H21 120.1(8) . . ?
B30 B32 B27 107.92(9) . . ?
B30 B32 B28 107.40(9) . . ?
B30 B32 B29 59.63(7) . . ?
B30 B32 B31 60.37(7) . . ?
B30 B32 H21 117.3(8) . . ?
B31 B32 B27 59.73(8) . . ?
B31 B32 B28 107.35(9) . . ?
B31 B32 B29 107.74(9) . . ?
B31 B32 H21 120.9(8) . . ?
B1 C1 B2 129.46(9) . . ?
B1 C1 B8 112.44(8) . . ?
B1 C1 B10 121.13(8) . . ?
B1 C1 B11 124.25(8) . . ?
B2 C1 B11 60.53(7) . . ?
B8 C1 B2 109.42(8) . . ?
B8 C1 B11 110.92(8) . . ?
B10 C1 B2 60.37(7) . . ?
B10 C1 B8 60.60(7) . . ?
B10 C1 B11 109.95(8) . . ?
C2 C1 B1 119.46(8) . . ?
C2 C1 B2 105.24(8) . . ?
C2 C1 B8 60.26(7) . . ?
C2 C1 B10 106.21(8) . . ?
C2 C1 B11 59.26(7) . . ?
B6 C2 B8 62.94(7) . . ?
B6 C2 H33 119.4(9) . . ?
B7 C2 B6 63.19(8) . . ?
B7 C2 B8 115.60(9) . . ?
B7 C2 B11 63.62(8) . . ?
B7 C2 H33 117.9(9) . . ?
B8 C2 H33 117.8(9) . . ?
B11 C2 B6 116.36(9) . . ?
B11 C2 B8 115.82(9) . . ?
B11 C2 H33 114.8(9) . . ?
C1 C2 B6 114.46(9) . . ?
C1 C2 B7 115.20(9) . . ?
C1 C2 B8 62.24(7) . . ?
C1 C2 B11 63.14(7) . . ?
C1 C2 H33 116.2(9) . . ?
B1 C3 B12 123.00(9) . . ?
B1 C3 B18 112.92(8) . . ?
B1 C3 B19 121.84(9) . . ?
B1 C3 B21 129.25(9) . . ?
B12 C3 B18 111.04(8) . . ?
B12 C3 B19 110.44(9) . . ?
B12 C3 B21 60.93(7) . . ?
B18 C3 B21 109.69(9) . . ?
B19 C3 B18 60.93(7) . . ?
B19 C3 B21 60.37(7) . . ?
C4 C3 B1 118.58(8) . . ?
C4 C3 B12 59.59(7) . . ?
C4 C3 B18 59.99(7) . . ?
C4 C3 B19 106.60(8) . . ?
C4 C3 B21 105.89(8) . . ?
B12 C4 B18 115.43(9) . . ?
B12 C4 B22 116.44(9) . . ?
B12 C4 H001 113.8(9) . . ?
B14 C4 B12 63.77(7) . . ?
B14 C4 B18 115.75(10) . . ?
B14 C4 B22 63.35(8) . . ?
B14 C4 H001 118.3(9) . . ?
B18 C4 H001 118.1(9) . . ?
B22 C4 B18 62.99(8) . . ?
B22 C4 H001 120.9(9) . . ?
C3 C4 B12 62.47(7) . . ?
C3 C4 B14 114.86(9) . . ?
C3 C4 B18 62.35(7) . . ?
C3 C4 B22 114.46(9) . . ?
C3 C4 H001 115.1(9) . . ?
B1 C5 B24 130.77(9) . . ?
B1 C5 B25 124.04(8) . . ?
B1 C5 B29 121.86(8) . . ?
B1 C5 B30 111.36(8) . . ?
B25 C5 B24 60.61(7) . . ?
B25 C5 B29 109.95(8) . . ?
B29 C5 B24 60.18(7) . . ?
B30 C5 B24 109.53(8) . . ?
B30 C5 B25 111.29(8) . . ?
B30 C5 B29 60.71(7) . . ?
C6 C5 B1 117.52(8) . . ?
C6 C5 B24 105.84(8) . . ?
C6 C5 B25 59.62(7) . . ?
C6 C5 B29 106.70(8) . . ?
C6 C5 B30 60.53(7) . . ?
B25 C6 B30 115.17(9) . . ?
B25 C6 B31 116.80(9) . . ?
B25 C6 H19 114.8(9) . . ?
B26 C6 B25 63.82(8) . . ?
B26 C6 B30 115.67(9) . . ?
B26 C6 B31 63.63(8) . . ?
B26 C6 H19 118.3(9) . . ?
B30 C6 H19 117.7(9) . . ?
B31 C6 B30 62.96(7) . . ?
B31 C6 H19 119.6(9) . . ?
C5 C6 B25 62.82(7) . . ?
C5 C6 B26 115.33(9) . . ?
C5 C6 B30 61.99(7) . . ?
C5 C6 B31 114.68(9) . . ?
C5 C6 H19 115.5(9) . . ?
N1 C7 B1 175.74(11) . . ?
C9 C8 N1 118.18(10) . . ?
C13 C8 C9 123.93(10) . . ?
C13 C8 N1 117.88(10) . . ?
C8 C9 C14 122.56(10) . . ?
C10 C9 C8 116.50(11) . . ?
C10 C9 C14 120.92(11) . . ?
C9 C10 H3 119.4 . . ?
C11 C10 C9 121.14(11) . . ?
C11 C10 H3 119.4 . . ?
C10 C11 H1 119.8 . . ?
C12 C11 C10 120.42(11) . . ?
C12 C11 H1 119.8 . . ?
C11 C12 H37 119.3 . . ?
C11 C12 C13 121.36(11) . . ?
C13 C12 H37 119.3 . . ?
C8 C13 C15 122.45(10) . . ?
C12 C13 C8 116.44(10) . . ?
C12 C13 C15 121.00(11) . . ?
C9 C14 H4 109.5 . . ?
C9 C14 H5 109.5 . . ?
C9 C14 H6 109.5 . . ?
H4 C14 H5 109.5 . . ?
H4 C14 H6 109.5 . . ?
H5 C14 H6 109.5 . . ?
C13 C15 H38 109.5 . . ?
C13 C15 H39 109.5 . . ?
C13 C15 H40 109.5 . . ?
H38 C15 H39 109.5 . . ?
H38 C15 H40 109.5 . . ?
H39 C15 H40 109.5 . . ?
C7 N1 C8 178.48(11) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
B1 C1 C2 B6 -136.96(10) . . . . ?
B1 C1 C2 B7 152.53(9) . . . . ?
B1 C1 C2 B8 -100.50(10) . . . . ?
B1 C1 C2 B11 114.59(10) . . . . ?
B1 C3 C4 B12 113.55(10) . . . . ?
B1 C3 C4 B14 151.28(10) . . . . ?
B1 C3 C4 B18 -101.39(10) . . . . ?
B1 C3 C4 B22 -138.12(10) . . . . ?
B1 C5 C6 B25 115.23(10) . . . . ?
B1 C5 C6 B26 152.87(9) . . . . ?
B1 C5 C6 B30 -100.21(10) . . . . ?
B1 C5 C6 B31 -135.99(9) . . . . ?
B2 B3 B4 B5 -37.22(9) . . . . ?
B2 B3 B4 B6 63.28(11) . . . . ?
B2 B3 B4 B7 100.79(10) . . . . ?
B2 B3 B4 B9 0.21(12) . . . . ?
B2 B3 B5 B4 138.08(10) . . . . ?
B2 B3 B5 B9 100.13(10) . . . . ?
B2 B3 B5 B10 36.83(9) . . . . ?
B2 B3 B7 B4 -100.20(10) . . . . ?
B2 B3 B7 B6 -62.62(11) . . . . ?
B2 B3 B7 B11 38.15(8) . . . . ?
B2 B3 B7 C2 -1.52(12) . . . . ?
B2 B3 B11 B7 -137.20(10) . . . . ?
B2 B3 B11 C1 -37.95(8) . . . . ?
B2 B3 B11 C2 -97.73(9) . . . . ?
B2 B5 B9 B4 100.88(10) . . . . ?
B2 B5 B9 B6 63.64(11) . . . . ?
B2 B5 B9 B8 -0.02(12) . . . . ?
B2 B5 B9 B10 -36.65(8) . . . . ?
B2 B5 B10 B8 101.74(10) . . . . ?
B2 B5 B10 B9 138.71(9) . . . . ?
B2 B5 B10 C1 38.24(8) . . . . ?
B2 B10 C1 B1 -120.70(10) . . . . ?
B2 B10 C1 B8 139.43(9) . . . . ?
B2 B10 C1 B11 36.04(8) . . . . ?
B2 B10 C1 C2 98.60(9) . . . . ?
B2 B11 C1 B1 119.89(11) . . . . ?
B2 B11 C1 B8 -101.11(9) . . . . ?
B2 B11 C1 B10 -35.97(8) . . . . ?
B2 B11 C1 C2 -133.42(9) . . . . ?
B2 B11 C2 B6 -65.34(11) . . . . ?
B2 B11 C2 B7 -101.47(9) . . . . ?
B2 B11 C2 B8 5.74(12) . . . . ?
B2 B11 C2 C1 40.15(8) . . . . ?
B2 C1 C2 B6 67.50(11) . . . . ?
B2 C1 C2 B7 -3.02(12) . . . . ?
B2 C1 C2 B8 103.96(9) . . . . ?
B2 C1 C2 B11 -40.95(8) . . . . ?
B3 B2 B5 B4 -37.61(9) . . . . ?
B3 B2 B5 B9 -101.53(10) . . . . ?
B3 B2 B5 B10 -138.37(10) . . . . ?
B3 B2 B10 B5 37.80(9) . . . . ?
B3 B2 B10 B8 -63.05(11) . . . . ?
B3 B2 B10 B9 0.67(12) . . . . ?
B3 B2 B10 C1 -99.60(9) . . . . ?
B3 B2 B11 B7 37.64(9) . . . . ?
B3 B2 B11 C1 137.01(9) . . . . ?
B3 B2 B11 C2 97.94(9) . . . . ?
B3 B2 C1 B1 -150.36(10) . . . . ?
B3 B2 C1 B8 65.12(11) . . . . ?
B3 B2 C1 B10 102.05(10) . . . . ?
B3 B2 C1 B11 -38.51(8) . . . . ?
B3 B2 C1 C2 1.81(11) . . . . ?
B3 B4 B5 B2 37.22(9) . . . . ?
B3 B4 B5 B9 137.97(10) . . . . ?
B3 B4 B5 B10 100.08(10) . . . . ?
B3 B4 B6 B7 37.22(9) . . . . ?
B3 B4 B6 B8 -63.73(11) . . . . ?
B3 B4 B6 B9 -100.75(10) . . . . ?
B3 B4 B6 C2 -2.17(12) . . . . ?
B3 B4 B7 B6 -137.96(9) . . . . ?
B3 B4 B7 B11 -37.53(9) . . . . ?
B3 B4 B7 C2 -98.39(9) . . . . ?
B3 B4 B9 B5 -37.54(9) . . . . ?
B3 B4 B9 B6 100.35(10) . . . . ?
B3 B4 B9 B8 63.00(12) . . . . ?
B3 B4 B9 B10 0.19(12) . . . . ?
B3 B5 B9 B4 37.89(9) . . . . ?
B3 B5 B9 B6 0.65(12) . . . . ?
B3 B5 B9 B8 -63.01(11) . . . . ?
B3 B5 B9 B10 -99.64(10) . . . . ?
B3 B5 B10 B2 -36.84(9) . . . . ?
B3 B5 B10 B8 64.90(11) . . . . ?
B3 B5 B10 B9 101.87(10) . . . . ?
B3 B5 B10 C1 1.40(12) . . . . ?
B3 B7 B11 B2 -37.66(9) . . . . ?
B3 B7 B11 C1 -100.20(9) . . . . ?
B3 B7 B11 C2 -133.29(9) . . . . ?
B3 B7 C2 B6 -103.06(10) . . . . ?
B3 B7 C2 B8 -66.90(11) . . . . ?
B3 B7 C2 B11 40.64(8) . . . . ?
B3 B7 C2 C1 2.90(12) . . . . ?
B3 B11 C1 B1 157.73(9) . . . . ?
B3 B11 C1 B2 37.84(8) . . . . ?
B3 B11 C1 B8 -63.27(11) . . . . ?
B3 B11 C1 B10 1.87(11) . . . . ?
B3 B11 C1 C2 -95.58(9) . . . . ?
B3 B11 C2 B6 -4.00(12) . . . . ?
B3 B11 C2 B7 -40.13(8) . . . . ?
B3 B11 C2 B8 67.08(11) . . . . ?
B3 B11 C2 C1 101.49(9) . . . . ?
B4 B3 B5 B2 -138.08(10) . . . . ?
B4 B3 B5 B9 -37.95(9) . . . . ?
B4 B3 B5 B10 -101.25(10) . . . . ?
B4 B3 B7 B6 37.58(9) . . . . ?
B4 B3 B7 B11 138.35(9) . . . . ?
B4 B3 B7 C2 98.69(10) . . . . ?
B4 B3 B11 B2 99.99(10) . . . . ?
B4 B3 B11 B7 -37.21(9) . . . . ?
B4 B3 B11 C1 62.04(11) . . . . ?
B4 B3 B11 C2 2.26(11) . . . . ?
B4 B5 B9 B6 -37.24(9) . . . . ?
B4 B5 B9 B8 -100.90(10) . . . . ?
B4 B5 B9 B10 -137.53(9) . . . . ?
B4 B5 B10 B2 -100.55(10) . . . . ?
B4 B5 B10 B8 1.20(12) . . . . ?
B4 B5 B10 B9 38.17(9) . . . . ?
B4 B5 B10 C1 -62.30(11) . . . . ?
B4 B6 B7 B3 -37.97(9) . . . . ?
B4 B6 B7 B11 -101.69(10) . . . . ?
B4 B6 B7 C2 -133.66(9) . . . . ?
B4 B6 B8 B9 -37.52(9) . . . . ?
B4 B6 B8 B10 1.16(12) . . . . ?
B4 B6 B8 C1 63.63(11) . . . . ?
B4 B6 B8 C2 95.94(10) . . . . ?
B4 B6 B9 B5 37.29(9) . . . . ?
B4 B6 B9 B8 138.45(10) . . . . ?
B4 B6 B9 B10 100.33(10) . . . . ?
B4 B6 C2 B7 40.29(9) . . . . ?
B4 B6 C2 B8 -103.02(10) . . . . ?
B4 B6 C2 B11 4.00(12) . . . . ?
B4 B6 C2 C1 -66.82(11) . . . . ?
B4 B7 B11 B2 0.10(12) . . . . ?
B4 B7 B11 B3 37.76(9) . . . . ?
B4 B7 B11 C1 -62.44(11) . . . . ?
B4 B7 B11 C2 -95.53(10) . . . . ?
B4 B7 C2 B6 -40.21(9) . . . . ?
B4 B7 C2 B8 -4.05(12) . . . . ?
B4 B7 C2 B11 103.49(10) . . . . ?
B4 B7 C2 C1 65.75(11) . . . . ?
B4 B9 B10 B2 -0.53(12) . . . . ?
B4 B9 B10 B5 -37.61(9) . . . . ?
B4 B9 B10 B8 101.17(10) . . . . ?
B4 B9 B10 C1 63.39(12) . . . . ?
B5 B2 B3 B4 37.13(9) . . . . ?
B5 B2 B3 B7 100.20(10) . . . . ?
B5 B2 B3 B11 138.51(10) . . . . ?
B5 B2 B10 B8 -100.84(10) . . . . ?
B5 B2 B10 B9 -37.12(9) . . . . ?
B5 B2 B10 C1 -137.40(9) . . . . ?
B5 B2 B11 B3 -37.71(9) . . . . ?
B5 B2 B11 B7 -0.07(12) . . . . ?
B5 B2 B11 C1 99.31(10) . . . . ?
B5 B2 B11 C2 60.23(11) . . . . ?
B5 B2 C1 B1 145.66(10) . . . . ?
B5 B2 C1 B8 1.14(11) . . . . ?
B5 B2 C1 B10 38.07(8) . . . . ?
B5 B2 C1 B11 -102.49(9) . . . . ?
B5 B2 C1 C2 -62.17(10) . . . . ?
B5 B3 B4 B6 100.50(10) . . . . ?
B5 B3 B4 B7 138.01(10) . . . . ?
B5 B3 B4 B9 37.43(9) . . . . ?
B5 B3 B7 B4 -37.19(8) . . . . ?
B5 B3 B7 B6 0.40(12) . . . . ?
B5 B3 B7 B11 101.16(9) . . . . ?
B5 B3 B7 C2 61.50(11) . . . . ?
B5 B3 B11 B2 36.99(9) . . . . ?
B5 B3 B11 B7 -100.21(10) . . . . ?
B5 B3 B11 C1 -0.96(12) . . . . ?
B5 B3 B11 C2 -60.74(11) . . . . ?
B5 B4 B6 B7 100.53(10) . . . . ?
B5 B4 B6 B8 -0.42(12) . . . . ?
B5 B4 B6 B9 -37.44(9) . . . . ?
B5 B4 B6 C2 61.14(11) . . . . ?
B5 B4 B7 B3 37.44(9) . . . . ?
B5 B4 B7 B6 -100.53(10) . . . . ?
B5 B4 B7 B11 -0.09(12) . . . . ?
B5 B4 B7 C2 -60.96(11) . . . . ?
B5 B4 B9 B6 137.88(10) . . . . ?
B5 B4 B9 B8 100.54(10) . . . . ?
B5 B4 B9 B10 37.73(9) . . . . ?
B5 B9 B10 B2 37.08(9) . . . . ?
B5 B9 B10 B8 138.79(9) . . . . ?
B5 B9 B10 C1 101.00(10) . . . . ?
B5 B10 C1 B1 -158.79(9) . . . . ?
B5 B10 C1 B2 -38.09(8) . . . . ?
B5 B10 C1 B8 101.34(10) . . . . ?
B5 B10 C1 B11 -2.05(12) . . . . ?
B5 B10 C1 C2 60.51(11) . . . . ?
B6 B4 B5 B2 -63.32(12) . . . . ?
B6 B4 B5 B3 -100.54(10) . . . . ?
B6 B4 B5 B9 37.43(9) . . . . ?
B6 B4 B5 B10 -0.47(12) . . . . ?
B6 B4 B7 B3 137.96(9) . . . . ?
B6 B4 B7 B11 100.43(10) . . . . ?
B6 B4 B7 C2 39.57(8) . . . . ?
B6 B4 B9 B5 -137.88(10) . . . . ?
B6 B4 B9 B8 -37.35(9) . . . . ?
B6 B4 B9 B10 -100.15(10) . . . . ?
B6 B7 B11 B2 63.54(11) . . . . ?
B6 B7 B11 B3 101.20(10) . . . . ?
B6 B7 B11 C1 1.00(12) . . . . ?
B6 B7 B11 C2 -32.09(9) . . . . ?
B6 B7 C2 B8 36.16(9) . . . . ?
B6 B7 C2 B11 143.70(9) . . . . ?
B6 B7 C2 C1 105.96(10) . . . . ?
B6 B8 B9 B4 36.98(9) . . . . ?
B6 B8 B9 B5 100.03(10) . . . . ?
B6 B8 B9 B10 136.83(10) . . . . ?
B6 B8 B10 B2 62.36(11) . . . . ?
B6 B8 B10 B5 -1.45(12) . . . . ?
B6 B8 B10 B9 -38.51(9) . . . . ?
B6 B8 B10 C1 99.10(9) . . . . ?
B6 B8 C1 B1 144.68(9) . . . . ?
B6 B8 C1 B2 -64.32(11) . . . . ?
B6 B8 C1 B10 -101.16(10) . . . . ?
B6 B8 C1 B11 0.61(12) . . . . ?
B6 B8 C1 C2 32.54(8) . . . . ?
B6 B8 C2 B7 -36.25(10) . . . . ?
B6 B8 C2 B11 -107.86(10) . . . . ?
B6 B8 C2 C1 -142.59(9) . . . . ?
B6 B9 B10 B2 -63.19(12) . . . . ?
B6 B9 B10 B5 -100.28(10) . . . . ?
B6 B9 B10 B8 38.51(9) . . . . ?
B6 B9 B10 C1 0.73(12) . . . . ?
B7 B3 B4 B5 -138.01(10) . . . . ?
B7 B3 B4 B6 -37.51(9) . . . . ?
B7 B3 B4 B9 -100.58(10) . . . . ?
B7 B3 B5 B2 -100.78(10) . . . . ?
B7 B3 B5 B4 37.30(9) . . . . ?
B7 B3 B5 B9 -0.65(12) . . . . ?
B7 B3 B5 B10 -63.95(11) . . . . ?
B7 B3 B11 B2 137.20(10) . . . . ?
B7 B3 B11 C1 99.25(9) . . . . ?
B7 B3 B11 C2 39.47(8) . . . . ?
B7 B4 B5 B2 0.05(13) . . . . ?
B7 B4 B5 B3 -37.18(9) . . . . ?
B7 B4 B5 B9 100.79(10) . . . . ?
B7 B4 B5 B10 62.90(12) . . . . ?
B7 B4 B6 B8 -100.96(10) . . . . ?
B7 B4 B6 B9 -137.98(9) . . . . ?
B7 B4 B6 C2 -39.40(8) . . . . ?
B7 B4 B9 B5 -100.32(10) . . . . ?
B7 B4 B9 B6 37.56(9) . . . . ?
B7 B4 B9 B8 0.21(12) . . . . ?
B7 B4 B9 B10 -62.59(12) . . . . ?
B7 B6 B8 B9 -101.11(10) . . . . ?
B7 B6 B8 B10 -62.43(11) . . . . ?
B7 B6 B8 C1 0.04(12) . . . . ?
B7 B6 B8 C2 32.34(9) . . . . ?
B7 B6 B9 B4 -37.70(9) . . . . ?
B7 B6 B9 B5 -0.40(12) . . . . ?
B7 B6 B9 B8 100.75(10) . . . . ?
B7 B6 B9 B10 62.63(12) . . . . ?
B7 B6 C2 B8 -143.31(10) . . . . ?
B7 B6 C2 B11 -36.29(9) . . . . ?
B7 B6 C2 C1 -107.11(10) . . . . ?
B7 B11 C1 B1 -140.00(10) . . . . ?
B7 B11 C1 B2 100.11(9) . . . . ?
B7 B11 C1 B8 -1.00(11) . . . . ?
B7 B11 C1 B10 64.14(11) . . . . ?
B7 B11 C1 C2 -33.31(8) . . . . ?
B7 B11 C2 B6 36.13(9) . . . . ?
B7 B11 C2 B8 107.21(10) . . . . ?
B7 B11 C2 C1 141.62(9) . . . . ?
B8 B6 B7 B3 63.07(12) . . . . ?
B8 B6 B7 B4 101.04(10) . . . . ?
B8 B6 B7 B11 -0.65(12) . . . . ?
B8 B6 B7 C2 -32.62(9) . . . . ?
B8 B6 B9 B4 -138.45(10) . . . . ?
B8 B6 B9 B5 -101.15(10) . . . . ?
B8 B6 B9 B10 -38.12(9) . . . . ?
B8 B6 C2 B7 143.31(10) . . . . ?
B8 B6 C2 B11 107.02(10) . . . . ?
B8 B6 C2 C1 36.20(9) . . . . ?
B8 B9 B10 B2 -101.70(10) . . . . ?
B8 B9 B10 B5 -138.79(9) . . . . ?
B8 B9 B10 C1 -37.78(8) . . . . ?
B8 B10 C1 B1 99.87(10) . . . . ?
B8 B10 C1 B2 -139.43(9) . . . . ?
B8 B10 C1 B11 -103.39(9) . . . . ?
B8 B10 C1 C2 -40.82(8) . . . . ?
B8 C1 C2 B6 -36.46(9) . . . . ?
B8 C1 C2 B7 -106.98(10) . . . . ?
B8 C1 C2 B11 -144.91(9) . . . . ?
B9 B4 B5 B2 -100.75(10) . . . . ?
B9 B4 B5 B3 -137.97(10) . . . . ?
B9 B4 B5 B10 -37.89(9) . . . . ?
B9 B4 B6 B7 137.98(9) . . . . ?
B9 B4 B6 B8 37.02(9) . . . . ?
B9 B4 B6 C2 98.58(9) . . . . ?
B9 B4 B7 B3 100.55(10) . . . . ?
B9 B4 B7 B6 -37.41(9) . . . . ?
B9 B4 B7 B11 63.02(12) . . . . ?
B9 B4 B7 C2 2.15(12) . . . . ?
B9 B5 B10 B2 -138.71(9) . . . . ?
B9 B5 B10 B8 -36.97(9) . . . . ?
B9 B5 B10 C1 -100.47(10) . . . . ?
B9 B6 B7 B3 0.00(12) . . . . ?
B9 B6 B7 B4 37.97(9) . . . . ?
B9 B6 B7 B11 -63.72(11) . . . . ?
B9 B6 B7 C2 -95.69(10) . . . . ?
B9 B6 B8 B10 38.68(9) . . . . ?
B9 B6 B8 C1 101.15(10) . . . . ?
B9 B6 B8 C2 133.46(10) . . . . ?
B9 B6 C2 B7 103.10(10) . . . . ?
B9 B6 C2 B8 -40.20(9) . . . . ?
B9 B6 C2 B11 66.81(12) . . . . ?
B9 B6 C2 C1 -4.01(13) . . . . ?
B9 B8 B10 B2 100.87(10) . . . . ?
B9 B8 B10 B5 37.05(9) . . . . ?
B9 B8 B10 C1 137.61(9) . . . . ?
B9 B8 C1 B1 -152.15(9) . . . . ?
B9 B8 C1 B2 -1.16(11) . . . . ?
B9 B8 C1 B10 -37.99(8) . . . . ?
B9 B8 C1 B11 63.77(11) . . . . ?
B9 B8 C1 C2 95.71(9) . . . . ?
B9 B8 C2 B6 40.43(9) . . . . ?
B9 B8 C2 B7 4.18(12) . . . . ?
B9 B8 C2 B11 -67.43(11) . . . . ?
B9 B8 C2 C1 -102.16(9) . . . . ?
B9 B10 C1 B1 137.66(10) . . . . ?
B9 B10 C1 B2 -101.64(10) . . . . ?
B9 B10 C1 B8 37.78(9) . . . . ?
B9 B10 C1 B11 -65.60(11) . . . . ?
B9 B10 C1 C2 -3.04(12) . . . . ?
B10 B2 B3 B4 -0.54(12) . . . . ?
B10 B2 B3 B5 -37.67(9) . . . . ?
B10 B2 B3 B7 62.52(11) . . . . ?
B10 B2 B3 B11 100.84(10) . . . . ?
B10 B2 B5 B3 138.37(10) . . . . ?
B10 B2 B5 B4 100.76(10) . . . . ?
B10 B2 B5 B9 36.84(9) . . . . ?
B10 B2 B11 B3 -101.92(10) . . . . ?
B10 B2 B11 B7 -64.29(11) . . . . ?
B10 B2 B11 C1 35.09(8) . . . . ?
B10 B2 B11 C2 -3.98(11) . . . . ?
B10 B2 C1 B1 107.59(11) . . . . ?
B10 B2 C1 B8 -36.93(8) . . . . ?
B10 B2 C1 B11 -140.56(9) . . . . ?
B10 B2 C1 C2 -100.24(9) . . . . ?
B10 B5 B9 B4 137.53(9) . . . . ?
B10 B5 B9 B6 100.29(10) . . . . ?
B10 B5 B9 B8 36.63(8) . . . . ?
B10 B8 B9 B4 -99.86(10) . . . . ?
B10 B8 B9 B5 -36.80(9) . . . . ?
B10 B8 B9 B6 -136.83(10) . . . . ?
B10 B8 C1 B1 -114.16(9) . . . . ?
B10 B8 C1 B2 36.83(8) . . . . ?
B10 B8 C1 B11 101.76(9) . . . . ?
B10 B8 C1 C2 133.70(9) . . . . ?
B10 B8 C2 B6 102.85(10) . . . . ?
B10 B8 C2 B7 66.60(11) . . . . ?
B10 B8 C2 B11 -5.01(12) . . . . ?
B10 B8 C2 C1 -39.74(8) . . . . ?
B10 C1 C2 B6 4.53(12) . . . . ?
B10 C1 C2 B7 -65.99(11) . . . . ?
B10 C1 C2 B8 40.99(8) . . . . ?
B10 C1 C2 B11 -103.92(9) . . . . ?
B11 B2 B3 B4 -101.38(10) . . . . ?
B11 B2 B3 B5 -138.51(10) . . . . ?
B11 B2 B3 B7 -38.32(9) . . . . ?
B11 B2 B5 B3 37.63(9) . . . . ?
B11 B2 B5 B4 0.02(12) . . . . ?
B11 B2 B5 B9 -63.90(11) . . . . ?
B11 B2 B5 B10 -100.74(10) . . . . ?
B11 B2 B10 B5 102.08(10) . . . . ?
B11 B2 B10 B8 1.23(12) . . . . ?
B11 B2 B10 B9 64.95(11) . . . . ?
B11 B2 B10 C1 -35.32(8) . . . . ?
B11 B2 C1 B1 -111.85(11) . . . . ?
B11 B2 C1 B8 103.64(9) . . . . ?
B11 B2 C1 B10 140.56(9) . . . . ?
B11 B2 C1 C2 40.32(8) . . . . ?
B11 B3 B4 B5 -100.56(10) . . . . ?
B11 B3 B4 B6 -0.05(12) . . . . ?
B11 B3 B4 B7 37.45(8) . . . . ?
B11 B3 B4 B9 -63.13(11) . . . . ?
B11 B3 B5 B2 -37.08(9) . . . . ?
B11 B3 B5 B4 101.00(10) . . . . ?
B11 B3 B5 B9 63.05(11) . . . . ?
B11 B3 B5 B10 -0.26(12) . . . . ?
B11 B3 B7 B4 -138.35(9) . . . . ?
B11 B3 B7 B6 -100.77(10) . . . . ?
B11 B3 B7 C2 -39.66(8) . . . . ?
B11 B7 C2 B6 -143.70(9) . . . . ?
B11 B7 C2 B8 -107.54(10) . . . . ?
B11 B7 C2 C1 -37.74(9) . . . . ?
B11 C1 C2 B6 108.45(10) . . . . ?
B11 C1 C2 B7 37.93(9) . . . . ?
B11 C1 C2 B8 144.91(9) . . . . ?
B12 B13 B14 B15 -138.07(10) . . . . ?
B12 B13 B14 B22 -100.48(10) . . . . ?
B12 B13 B14 C4 -39.31(9) . . . . ?
B12 B13 B15 B14 37.72(9) . . . . ?
B12 B13 B15 B16 -100.10(10) . . . . ?
B12 B13 B15 B17 -62.57(13) . . . . ?
B12 B13 B15 B22 0.20(14) . . . . ?
B12 B13 B16 B15 101.07(10) . . . . ?
B12 B13 B16 B17 62.95(12) . . . . ?
B12 B13 B16 B19 -0.67(13) . . . . ?
B12 B13 B16 B21 -37.65(9) . . . . ?
B12 B13 B21 B16 137.82(10) . . . . ?
B12 B13 B21 B19 100.04(10) . . . . ?
B12 B13 B21 C3 37.53(8) . . . . ?
B12 B14 B15 B13 -37.64(9) . . . . ?
B12 B14 B15 B16 -0.02(12) . . . . ?
B12 B14 B15 B17 63.07(12) . . . . ?
B12 B14 B15 B22 100.38(10) . . . . ?
B12 B14 B22 B15 -101.53(11) . . . . ?
B12 B14 B22 B17 -63.36(12) . . . . ?
B12 B14 B22 B18 -0.25(13) . . . . ?
B12 B14 B22 C4 32.22(9) . . . . ?
B12 B14 C4 B18 -107.09(10) . . . . ?
B12 B14 C4 B22 -143.37(10) . . . . ?
B12 B14 C4 C3 -37.23(9) . . . . ?
B12 B21 C3 B1 -110.52(12) . . . . ?
B12 B21 C3 B18 103.73(9) . . . . ?
B12 B21 C3 B19 140.87(9) . . . . ?
B12 B21 C3 C4 40.51(8) . . . . ?
B12 C3 C4 B14 37.74(10) . . . . ?
B12 C3 C4 B18 145.06(9) . . . . ?
B12 C3 C4 B22 108.33(10) . . . . ?
B13 B12 B14 B15 37.98(9) . . . . ?
B13 B12 B14 B22 101.40(11) . . . . ?
B13 B12 B14 C4 133.76(10) . . . . ?
B13 B12 B21 B16 -38.23(9) . . . . ?
B13 B12 B21 B19 -102.35(10) . . . . ?
B13 B12 B21 C3 -137.05(9) . . . . ?
B13 B12 C3 B1 158.10(9) . . . . ?
B13 B12 C3 B18 -63.53(11) . . . . ?
B13 B12 C3 B19 2.12(12) . . . . ?
B13 B12 C3 B21 37.96(9) . . . . ?
B13 B12 C3 C4 -95.62(10) . . . . ?
B13 B12 C4 B14 -39.82(9) . . . . ?
B13 B12 C4 B18 67.76(11) . . . . ?
B13 B12 C4 B22 -3.27(13) . . . . ?
B13 B12 C4 C3 101.93(10) . . . . ?
B13 B14 B15 B16 37.62(9) . . . . ?
B13 B14 B15 B17 100.71(10) . . . . ?
B13 B14 B15 B22 138.02(10) . . . . ?
B13 B14 B22 B15 -37.99(9) . . . . ?
B13 B14 B22 B17 0.18(12) . . . . ?
B13 B14 B22 B18 63.29(12) . . . . ?
B13 B14 B22 C4 95.75(10) . . . . ?
B13 B14 C4 B12 40.21(9) . . . . ?
B13 B14 C4 B18 -66.88(12) . . . . ?
B13 B14 C4 B22 -103.16(11) . . . . ?
B13 B14 C4 C3 2.98(13) . . . . ?
B13 B15 B16 B17 137.88(10) . . . . ?
B13 B15 B16 B19 100.14(10) . . . . ?
B13 B15 B16 B21 36.87(9) . . . . ?
B13 B15 B17 B16 -37.65(9) . . . . ?
B13 B15 B17 B18 62.70(12) . . . . ?
B13 B15 B17 B19 -0.33(13) . . . . ?
B13 B15 B17 B22 100.38(11) . . . . ?
B13 B15 B22 B14 37.20(9) . . . . ?
B13 B15 B22 B17 -100.66(11) . . . . ?
B13 B15 B22 B18 -63.21(12) . . . . ?
B13 B15 B22 C4 -2.00(13) . . . . ?
B13 B16 B17 B15 38.02(9) . . . . ?
B13 B16 B17 B18 -62.78(12) . . . . ?
B13 B16 B17 B19 -99.97(10) . . . . ?
B13 B16 B17 B22 0.85(12) . . . . ?
B13 B16 B19 B17 101.88(11) . . . . ?
B13 B16 B19 B18 64.75(12) . . . . ?
B13 B16 B19 B21 -36.98(9) . . . . ?
B13 B16 B19 C3 1.93(12) . . . . ?
B13 B16 B21 B12 37.98(9) . . . . ?
B13 B16 B21 B19 138.36(10) . . . . ?
B13 B16 B21 C3 100.11(10) . . . . ?
B13 B21 C3 B1 -148.67(10) . . . . ?
B13 B21 C3 B12 -38.15(9) . . . . ?
B13 B21 C3 B18 65.58(11) . . . . ?
B13 B21 C3 B19 102.72(10) . . . . ?
B13 B21 C3 C4 2.36(11) . . . . ?
B14 B12 B13 B15 -37.39(9) . . . . ?
B14 B12 B13 B16 -100.16(10) . . . . ?
B14 B12 B13 B21 -137.53(10) . . . . ?
B14 B12 B21 B13 37.45(9) . . . . ?
B14 B12 B21 B16 -0.78(12) . . . . ?
B14 B12 B21 B19 -64.90(11) . . . . ?
B14 B12 B21 C3 -99.60(9) . . . . ?
B14 B12 C3 B1 -139.46(10) . . . . ?
B14 B12 C3 B18 -1.10(12) . . . . ?
B14 B12 C3 B19 64.56(11) . . . . ?
B14 B12 C3 B21 100.39(10) . . . . ?
B14 B12 C3 C4 -33.19(9) . . . . ?
B14 B12 C4 B18 107.58(11) . . . . ?
B14 B12 C4 B22 36.55(10) . . . . ?
B14 B12 C4 C3 141.75(10) . . . . ?
B14 B13 B15 B16 -137.82(10) . . . . ?
B14 B13 B15 B17 -100.29(10) . . . . ?
B14 B13 B15 B22 -37.52(9) . . . . ?
B14 B13 B16 B15 37.37(9) . . . . ?
B14 B13 B16 B17 -0.74(12) . . . . ?
B14 B13 B16 B19 -64.36(12) . . . . ?
B14 B13 B16 B21 -101.35(10) . . . . ?
B14 B13 B21 B12 -38.20(9) . . . . ?
B14 B13 B21 B16 99.62(11) . . . . ?
B14 B13 B21 B19 61.84(12) . . . . ?
B14 B13 B21 C3 -0.67(13) . . . . ?
B14 B15 B16 B13 -37.33(9) . . . . ?
B14 B15 B16 B17 100.55(10) . . . . ?
B14 B15 B16 B19 62.81(12) . . . . ?
B14 B15 B16 B21 -0.46(12) . . . . ?
B14 B15 B17 B16 -100.39(10) . . . . ?
B14 B15 B17 B18 -0.04(13) . . . . ?
B14 B15 B17 B19 -63.07(12) . . . . ?
B14 B15 B17 B22 37.64(9) . . . . ?
B14 B15 B22 B17 -137.86(10) . . . . ?
B14 B15 B22 B18 -100.41(10) . . . . ?
B14 B15 B22 C4 -39.19(9) . . . . ?
B14 B22 C4 B12 -36.71(10) . . . . ?
B14 B22 C4 B18 -143.26(10) . . . . ?
B14 B22 C4 C3 -106.77(10) . . . . ?
B15 B13 B14 B12 138.07(10) . . . . ?
B15 B13 B14 B22 37.59(9) . . . . ?
B15 B13 B14 C4 98.76(10) . . . . ?
B15 B13 B16 B17 -38.12(9) . . . . ?
B15 B13 B16 B19 -101.73(10) . . . . ?
B15 B13 B16 B21 -138.72(10) . . . . ?
B15 B13 B21 B12 -101.27(10) . . . . ?
B15 B13 B21 B16 36.55(9) . . . . ?
B15 B13 B21 B19 -1.23(13) . . . . ?
B15 B13 B21 C3 -63.73(12) . . . . ?
B15 B14 B22 B17 38.17(9) . . . . ?
B15 B14 B22 B18 101.28(10) . . . . ?
B15 B14 B22 C4 133.74(10) . . . . ?
B15 B14 C4 B12 103.18(10) . . . . ?
B15 B14 C4 B18 -3.91(13) . . . . ?
B15 B14 C4 B22 -40.19(9) . . . . ?
B15 B14 C4 C3 65.95(12) . . . . ?
B15 B16 B17 B18 -100.80(11) . . . . ?
B15 B16 B17 B19 -137.99(10) . . . . ?
B15 B16 B17 B22 -37.16(9) . . . . ?
B15 B16 B19 B17 37.97(9) . . . . ?
B15 B16 B19 B18 0.83(13) . . . . ?
B15 B16 B19 B21 -100.89(11) . . . . ?
B15 B16 B19 C3 -61.98(12) . . . . ?
B15 B16 B21 B12 0.77(12) . . . . ?
B15 B16 B21 B13 -37.20(9) . . . . ?
B15 B16 B21 B19 101.16(10) . . . . ?
B15 B16 B21 C3 62.91(11) . . . . ?
B15 B17 B18 B19 -100.04(10) . . . . ?
B15 B17 B18 B22 37.35(9) . . . . ?
B15 B17 B18 C3 -62.22(11) . . . . ?
B15 B17 B18 C4 -2.13(12) . . . . ?
B15 B17 B19 B16 -37.17(9) . . . . ?
B15 B17 B19 B18 101.02(10) . . . . ?
B15 B17 B19 B21 -0.42(13) . . . . ?
B15 B17 B19 C3 63.28(11) . . . . ?
B15 B17 B22 B14 -37.73(9) . . . . ?
B15 B17 B22 B18 -138.02(10) . . . . ?
B15 B17 B22 C4 -98.35(10) . . . . ?
B15 B22 C4 B12 3.40(13) . . . . ?
B15 B22 C4 B14 40.11(9) . . . . ?
B15 B22 C4 B18 -103.15(10) . . . . ?
B15 B22 C4 C3 -66.66(11) . . . . ?
B16 B13 B14 B12 100.83(10) . . . . ?
B16 B13 B14 B15 -37.24(9) . . . . ?
B16 B13 B14 B22 0.35(12) . . . . ?
B16 B13 B14 C4 61.52(11) . . . . ?
B16 B13 B15 B14 137.82(10) . . . . ?
B16 B13 B15 B17 37.53(9) . . . . ?
B16 B13 B15 B22 100.29(11) . . . . ?
B16 B13 B21 B12 -137.82(10) . . . . ?
B16 B13 B21 B19 -37.78(9) . . . . ?
B16 B13 B21 C3 -100.29(10) . . . . ?
B16 B15 B17 B18 100.35(10) . . . . ?
B16 B15 B17 B19 37.32(9) . . . . ?
B16 B15 B17 B22 138.03(10) . . . . ?
B16 B15 B22 B14 100.56(11) . . . . ?
B16 B15 B22 B17 -37.30(9) . . . . ?
B16 B15 B22 B18 0.16(13) . . . . ?
B16 B15 B22 C4 61.37(12) . . . . ?
B16 B17 B18 B19 -37.23(9) . . . . ?
B16 B17 B18 B22 100.16(11) . . . . ?
B16 B17 B18 C3 0.59(12) . . . . ?
B16 B17 B18 C4 60.68(11) . . . . ?
B16 B17 B19 B18 138.19(10) . . . . ?
B16 B17 B19 B21 36.74(9) . . . . ?
B16 B17 B19 C3 100.45(10) . . . . ?
B16 B17 B22 B14 -0.64(12) . . . . ?
B16 B17 B22 B15 37.10(9) . . . . ?
B16 B17 B22 B18 -100.92(10) . . . . ?
B16 B17 B22 C4 -61.25(11) . . . . ?
B16 B19 B21 B12 101.79(10) . . . . ?
B16 B19 B21 B13 37.89(9) . . . . ?
B16 B19 B21 C3 136.38(10) . . . . ?
B16 B19 C3 B1 -158.84(9) . . . . ?
B16 B19 C3 B12 -2.54(12) . . . . ?
B16 B19 C3 B18 100.83(10) . . . . ?
B16 B19 C3 B21 -38.60(9) . . . . ?
B16 B19 C3 C4 60.55(11) . . . . ?
B16 B21 C3 B1 147.49(10) . . . . ?
B16 B21 C3 B12 -101.99(10) . . . . ?
B16 B21 C3 B18 1.74(12) . . . . ?
B16 B21 C3 B19 38.88(9) . . . . ?
B16 B21 C3 C4 -61.48(11) . . . . ?
B17 B15 B16 B13 -137.88(10) . . . . ?
B17 B15 B16 B19 -37.74(9) . . . . ?
B17 B15 B16 B21 -101.01(10) . . . . ?
B17 B15 B22 B14 137.86(10) . . . . ?
B17 B15 B22 B18 37.45(9) . . . . ?
B17 B15 B22 C4 98.67(10) . . . . ?
B17 B16 B19 B18 -37.14(9) . . . . ?
B17 B16 B19 B21 -138.86(10) . . . . ?
B17 B16 B19 C3 -99.95(10) . . . . ?
B17 B16 B21 B12 -63.48(12) . . . . ?
B17 B16 B21 B13 -101.46(11) . . . . ?
B17 B16 B21 B19 36.91(9) . . . . ?
B17 B16 B21 C3 -1.34(13) . . . . ?
B17 B18 B19 B16 37.32(9) . . . . ?
B17 B18 B19 B21 100.57(10) . . . . ?
B17 B18 B19 C3 137.24(9) . . . . ?
B17 B18 B22 B14 -101.36(10) . . . . ?
B17 B18 B22 B15 -38.00(9) . . . . ?
B17 B18 B22 C4 -133.59(9) . . . . ?
B17 B18 C3 B1 -153.22(9) . . . . ?
B17 B18 C3 B12 64.01(11) . . . . ?
B17 B18 C3 B19 -38.36(9) . . . . ?
B17 B18 C3 B21 -1.46(12) . . . . ?
B17 B18 C3 C4 95.96(10) . . . . ?
B17 B18 C4 B12 -67.82(11) . . . . ?
B17 B18 C4 B14 3.88(12) . . . . ?
B17 B18 C4 B22 40.30(9) . . . . ?
B17 B18 C4 C3 -102.03(9) . . . . ?
B17 B19 B21 B12 64.93(11) . . . . ?
B17 B19 B21 B13 1.03(13) . . . . ?
B17 B19 B21 B16 -36.86(9) . . . . ?
B17 B19 B21 C3 99.52(10) . . . . ?
B17 B19 C3 B1 138.06(10) . . . . ?
B17 B19 C3 B12 -65.64(11) . . . . ?
B17 B19 C3 B18 37.74(8) . . . . ?
B17 B19 C3 B21 -101.69(10) . . . . ?
B17 B19 C3 C4 -2.54(11) . . . . ?
B17 B22 C4 B12 66.40(12) . . . . ?
B17 B22 C4 B14 103.11(10) . . . . ?
B17 B22 C4 B18 -40.15(8) . . . . ?
B17 B22 C4 C3 -3.66(12) . . . . ?
B18 B17 B19 B16 -138.19(10) . . . . ?
B18 B17 B19 B21 -101.45(10) . . . . ?
B18 B17 B19 C3 -37.74(8) . . . . ?
B18 B17 B22 B14 100.28(10) . . . . ?
B18 B17 B22 B15 138.02(10) . . . . ?
B18 B17 B22 C4 39.67(8) . . . . ?
B18 B19 B21 B12 1.74(12) . . . . ?
B18 B19 B21 B13 -62.16(12) . . . . ?
B18 B19 B21 B16 -100.05(10) . . . . ?
B18 B19 B21 C3 36.32(8) . . . . ?
B18 B19 C3 B1 100.33(10) . . . . ?
B18 B19 C3 B12 -103.37(9) . . . . ?
B18 B19 C3 B21 -139.43(9) . . . . ?
B18 B19 C3 C4 -40.28(8) . . . . ?
B18 B22 C4 B12 106.55(10) . . . . ?
B18 B22 C4 B14 143.26(10) . . . . ?
B18 B22 C4 C3 36.49(9) . . . . ?
B18 C3 C4 B12 -145.06(9) . . . . ?
B18 C3 C4 B14 -107.33(11) . . . . ?
B18 C3 C4 B22 -36.74(9) . . . . ?
B19 B16 B17 B15 137.99(10) . . . . ?
B19 B16 B17 B18 37.19(9) . . . . ?
B19 B16 B17 B22 100.83(10) . . . . ?
B19 B16 B21 B12 -100.39(10) . . . . ?
B19 B16 B21 B13 -138.36(10) . . . . ?
B19 B16 B21 C3 -38.25(8) . . . . ?
B19 B17 B18 B22 137.39(10) . . . . ?
B19 B17 B18 C3 37.82(8) . . . . ?
B19 B17 B18 C4 97.91(9) . . . . ?
B19 B17 B22 B14 62.41(11) . . . . ?
B19 B17 B22 B15 100.14(10) . . . . ?
B19 B17 B22 B18 -37.87(9) . . . . ?
B19 B17 B22 C4 1.80(12) . . . . ?
B19 B18 B22 B14 -63.00(12) . . . . ?
B19 B18 B22 B15 0.36(13) . . . . ?
B19 B18 B22 B17 38.36(9) . . . . ?
B19 B18 B22 C4 -95.23(10) . . . . ?
B19 B18 C3 B1 -114.85(10) . . . . ?
B19 B18 C3 B12 102.37(10) . . . . ?
B19 B18 C3 B21 36.90(9) . . . . ?
B19 B18 C3 C4 134.32(9) . . . . ?
B19 B18 C4 B12 -5.14(12) . . . . ?
B19 B18 C4 B14 66.56(11) . . . . ?
B19 B18 C4 B22 102.97(10) . . . . ?
B19 B18 C4 C3 -39.36(8) . . . . ?
B19 B21 C3 B1 108.61(12) . . . . ?
B19 B21 C3 B12 -140.87(9) . . . . ?
B19 B21 C3 B18 -37.14(9) . . . . ?
B19 B21 C3 C4 -100.36(9) . . . . ?
B19 C3 C4 B12 -104.33(9) . . . . ?
B19 C3 C4 B14 -66.59(11) . . . . ?
B19 C3 C4 B18 40.73(8) . . . . ?
B19 C3 C4 B22 4.00(11) . . . . ?
B21 B12 B13 B14 137.53(10) . . . . ?
B21 B12 B13 B15 100.14(11) . . . . ?
B21 B12 B13 B16 37.36(9) . . . . ?
B21 B12 B14 B13 -37.49(9) . . . . ?
B21 B12 B14 B15 0.49(12) . . . . ?
B21 B12 B14 B22 63.91(11) . . . . ?
B21 B12 B14 C4 96.27(10) . . . . ?
B21 B12 C3 B1 120.14(11) . . . . ?
B21 B12 C3 B18 -101.49(9) . . . . ?
B21 B12 C3 B19 -35.83(9) . . . . ?
B21 B12 C3 C4 -133.58(9) . . . . ?
B21 B12 C4 B14 -101.38(10) . . . . ?
B21 B12 C4 B18 6.20(12) . . . . ?
B21 B12 C4 B22 -64.83(11) . . . . ?
B21 B12 C4 C3 40.37(8) . . . . ?
B21 B13 B14 B12 38.06(9) . . . . ?
B21 B13 B14 B15 -100.02(11) . . . . ?
B21 B13 B14 B22 -62.43(12) . . . . ?
B21 B13 B14 C4 -1.25(13) . . . . ?
B21 B13 B15 B14 101.24(10) . . . . ?
B21 B13 B15 B16 -36.58(9) . . . . ?
B21 B13 B15 B17 0.95(13) . . . . ?
B21 B13 B15 B22 63.71(13) . . . . ?
B21 B13 B16 B15 138.72(10) . . . . ?
B21 B13 B16 B17 100.60(10) . . . . ?
B21 B13 B16 B19 36.99(9) . . . . ?
B21 B16 B17 B15 101.27(11) . . . . ?
B21 B16 B17 B18 0.48(13) . . . . ?
B21 B16 B17 B19 -36.71(9) . . . . ?
B21 B16 B17 B22 64.11(12) . . . . ?
B21 B16 B19 B17 138.86(10) . . . . ?
B21 B16 B19 B18 101.72(10) . . . . ?
B21 B16 B19 C3 38.91(9) . . . . ?
B21 B19 C3 B1 -120.24(11) . . . . ?
B21 B19 C3 B12 36.06(9) . . . . ?
B21 B19 C3 B18 139.43(9) . . . . ?
B21 B19 C3 C4 99.15(9) . . . . ?
B21 C3 C4 B12 -41.17(8) . . . . ?
B21 C3 C4 B14 -3.43(12) . . . . ?
B21 C3 C4 B18 103.89(9) . . . . ?
B21 C3 C4 B22 67.16(11) . . . . ?
B22 B14 B15 B13 -138.02(10) . . . . ?
B22 B14 B15 B16 -100.40(10) . . . . ?
B22 B14 B15 B17 -37.32(9) . . . . ?
B22 B14 C4 B12 143.37(10) . . . . ?
B22 B14 C4 B18 36.28(9) . . . . ?
B22 B14 C4 C3 106.14(10) . . . . ?
B22 B15 B16 B13 -100.75(11) . . . . ?
B22 B15 B16 B17 37.13(9) . . . . ?
B22 B15 B16 B19 -0.61(13) . . . . ?
B22 B15 B16 B21 -63.88(12) . . . . ?
B22 B15 B17 B16 -138.03(10) . . . . ?
B22 B15 B17 B18 -37.68(9) . . . . ?
B22 B15 B17 B19 -100.71(10) . . . . ?
B22 B17 B18 B19 -137.39(10) . . . . ?
B22 B17 B18 C3 -99.56(9) . . . . ?
B22 B17 B18 C4 -39.48(8) . . . . ?
B22 B17 B19 B16 -100.03(11) . . . . ?
B22 B17 B19 B18 38.16(9) . . . . ?
B22 B17 B19 B21 -63.28(11) . . . . ?
B22 B17 B19 C3 0.42(12) . . . . ?
B22 B18 B19 B16 -0.73(12) . . . . ?
B22 B18 B19 B17 -38.06(9) . . . . ?
B22 B18 B19 B21 62.52(11) . . . . ?
B22 B18 B19 C3 99.19(9) . . . . ?
B22 B18 C3 B1 143.72(9) . . . . ?
B22 B18 C3 B12 0.95(12) . . . . ?
B22 B18 C3 B19 -101.42(10) . . . . ?
B22 B18 C3 B21 -64.52(11) . . . . ?
B22 B18 C3 C4 32.90(8) . . . . ?
B22 B18 C4 B12 -108.12(10) . . . . ?
B22 B18 C4 B14 -36.41(9) . . . . ?
B22 B18 C4 C3 -142.33(9) . . . . ?
B23 B24 B25 B26 37.55(8) . . . . ?
B23 B24 B25 C5 136.59(9) . . . . ?
B23 B24 B25 C6 97.79(9) . . . . ?
B23 B24 B28 B27 -37.73(9) . . . . ?
B23 B24 B28 B29 -138.70(10) . . . . ?
B23 B24 B28 B32 -101.66(10) . . . . ?
B23 B24 B29 B28 37.25(9) . . . . ?
B23 B24 B29 B30 -62.89(11) . . . . ?
B23 B24 B29 B32 0.22(12) . . . . ?
B23 B24 B29 C5 -98.66(9) . . . . ?
B23 B24 C5 B1 -149.70(10) . . . . ?
B23 B24 C5 B25 -38.44(8) . . . . ?
B23 B24 C5 B29 102.29(9) . . . . ?
B23 B24 C5 B30 65.59(10) . . . . ?
B23 B24 C5 C6 1.82(10) . . . . ?
B23 B25 B26 B27 38.18(9) . . . . ?
B23 B25 B26 B31 101.55(10) . . . . ?
B23 B25 B26 C6 133.67(9) . . . . ?
B23 B25 C5 B1 160.19(9) . . . . ?
B23 B25 C5 B24 38.59(8) . . . . ?
B23 B25 C5 B29 2.85(12) . . . . ?
B23 B25 C5 B30 -62.50(11) . . . . ?
B23 B25 C5 C6 -95.30(9) . . . . ?
B23 B25 C6 B26 -39.90(8) . . . . ?
B23 B25 C6 B30 67.70(11) . . . . ?
B23 B25 C6 B31 -3.31(12) . . . . ?
B23 B25 C6 C5 102.14(9) . . . . ?
B23 B26 B27 B28 37.33(9) . . . . ?
B23 B26 B27 B31 138.21(10) . . . . ?
B23 B26 B27 B32 100.64(10) . . . . ?
B23 B26 B31 B27 -37.91(9) . . . . ?
B23 B26 B31 B30 62.59(11) . . . . ?
B23 B26 B31 B32 -0.11(12) . . . . ?
B23 B26 B31 C6 95.59(10) . . . . ?
B23 B26 C6 B25 40.24(8) . . . . ?
B23 B26 C6 B30 -66.59(11) . . . . ?
B23 B26 C6 B31 -103.33(10) . . . . ?
B23 B26 C6 C5 2.99(12) . . . . ?
B23 B27 B28 B24 37.42(9) . . . . ?
B23 B27 B28 B29 100.65(9) . . . . ?
B23 B27 B28 B32 138.25(9) . . . . ?
B23 B27 B31 B26 37.07(9) . . . . ?
B23 B27 B31 B30 -63.58(11) . . . . ?
B23 B27 B31 B32 -100.84(10) . . . . ?
B23 B27 B31 C6 -2.21(12) . . . . ?
B23 B27 B32 B28 -37.28(9) . . . . ?
B23 B27 B32 B29 -0.13(12) . . . . ?
B23 B27 B32 B30 62.80(12) . . . . ?
B23 B27 B32 B31 100.58(10) . . . . ?
B23 B28 B29 B24 -36.90(9) . . . . ?
B23 B28 B29 B30 64.63(11) . . . . ?
B23 B28 B29 B32 101.85(10) . . . . ?
B23 B28 B29 C5 2.32(12) . . . . ?
B23 B28 B32 B27 37.82(9) . . . . ?
B23 B28 B32 B29 -100.35(10) . . . . ?
B23 B28 B32 B30 -63.14(12) . . . . ?
B23 B28 B32 B31 0.44(12) . . . . ?
B24 B23 B25 B26 -137.55(9) . . . . ?
B24 B23 B25 C5 -38.67(8) . . . . ?
B24 B23 B25 C6 -98.49(9) . . . . ?
B24 B23 B26 B25 37.82(8) . . . . ?
B24 B23 B26 B27 -100.05(10) . . . . ?
B24 B23 B26 B31 -62.60(11) . . . . ?
B24 B23 B26 C6 -1.59(11) . . . . ?
B24 B23 B27 B26 100.98(10) . . . . ?
B24 B23 B27 B28 -37.05(9) . . . . ?
B24 B23 B27 B31 63.52(12) . . . . ?
B24 B23 B27 B32 0.26(12) . . . . ?
B24 B23 B28 B27 138.26(9) . . . . ?
B24 B23 B28 B29 36.76(9) . . . . ?
B24 B23 B28 B32 100.58(10) . . . . ?
B24 B25 B26 B23 -37.78(8) . . . . ?
B24 B25 B26 B27 0.41(12) . . . . ?
B24 B25 B26 B31 63.77(11) . . . . ?
B24 B25 B26 C6 95.89(9) . . . . ?
B24 B25 C5 B1 121.60(11) . . . . ?
B24 B25 C5 B29 -35.75(8) . . . . ?
B24 B25 C5 B30 -101.09(9) . . . . ?
B24 B25 C5 C6 -133.90(9) . . . . ?
B24 B25 C6 B26 -101.91(9) . . . . ?
B24 B25 C6 B30 5.69(12) . . . . ?
B24 B25 C6 B31 -65.33(11) . . . . ?
B24 B25 C6 C5 40.13(8) . . . . ?
B24 B28 B29 B30 101.53(9) . . . . ?
B24 B28 B29 B32 138.75(10) . . . . ?
B24 B28 B29 C5 39.22(8) . . . . ?
B24 B28 B32 B27 101.39(10) . . . . ?
B24 B28 B32 B29 -36.78(9) . . . . ?
B24 B28 B32 B30 0.43(12) . . . . ?
B24 B28 B32 B31 64.02(11) . . . . ?
B24 B29 B30 B31 62.94(11) . . . . ?
B24 B29 B30 B32 101.02(10) . . . . ?
B24 B29 B30 C5 -36.25(8) . . . . ?
B24 B29 B30 C6 2.37(11) . . . . ?
B24 B29 B32 B27 -0.06(12) . . . . ?
B24 B29 B32 B28 37.07(8) . . . . ?
B24 B29 B32 B30 -100.95(9) . . . . ?
B24 B29 B32 B31 -63.05(11) . . . . ?
B24 B29 C5 B1 -122.01(11) . . . . ?
B24 B29 C5 B25 35.92(9) . . . . ?
B24 B29 C5 B30 139.77(9) . . . . ?
B24 B29 C5 C6 99.00(9) . . . . ?
B24 C5 C6 B25 -40.74(8) . . . . ?
B24 C5 C6 B26 -3.10(11) . . . . ?
B24 C5 C6 B30 103.82(9) . . . . ?
B24 C5 C6 B31 68.04(11) . . . . ?
B25 B23 B24 B28 137.96(9) . . . . ?
B25 B23 B24 B29 100.75(9) . . . . ?
B25 B23 B24 C5 38.00(8) . . . . ?
B25 B23 B26 B27 -137.87(9) . . . . ?
B25 B23 B26 B31 -100.42(9) . . . . ?
B25 B23 B26 C6 -39.41(8) . . . . ?
B25 B23 B27 B26 37.86(9) . . . . ?
B25 B23 B27 B28 -100.17(10) . . . . ?
B25 B23 B27 B31 0.40(12) . . . . ?
B25 B23 B27 B32 -62.86(12) . . . . ?
B25 B23 B28 B24 -37.38(9) . . . . ?
B25 B23 B28 B27 100.88(10) . . . . ?
B25 B23 B28 B29 -0.62(12) . . . . ?
B25 B23 B28 B32 63.20(12) . . . . ?
B25 B24 B28 B23 37.68(8) . . . . ?
B25 B24 B28 B27 -0.05(12) . . . . ?
B25 B24 B28 B29 -101.02(10) . . . . ?
B25 B24 B28 B32 -63.98(11) . . . . ?
B25 B24 B29 B28 101.01(10) . . . . ?
B25 B24 B29 B30 0.86(12) . . . . ?
B25 B24 B29 B32 63.98(11) . . . . ?
B25 B24 B29 C5 -34.91(8) . . . . ?
B25 B24 C5 B1 -111.26(12) . . . . ?
B25 B24 C5 B29 140.73(9) . . . . ?
B25 B24 C5 B30 104.03(9) . . . . ?
B25 B24 C5 C6 40.26(8) . . . . ?
B25 B26 B27 B23 -37.77(9) . . . . ?
B25 B26 B27 B28 -0.44(12) . . . . ?
B25 B26 B27 B31 100.44(10) . . . . ?
B25 B26 B27 B32 62.87(12) . . . . ?
B25 B26 B31 B27 -101.43(10) . . . . ?
B25 B26 B31 B30 -0.92(12) . . . . ?
B25 B26 B31 B32 -63.62(11) . . . . ?
B25 B26 B31 C6 32.08(8) . . . . ?
B25 B26 C6 B30 -106.83(10) . . . . ?
B25 B26 C6 B31 -143.58(10) . . . . ?
B25 B26 C6 C5 -37.26(9) . . . . ?
B25 C5 C6 B26 37.64(9) . . . . ?
B25 C5 C6 B30 144.56(9) . . . . ?
B25 C5 C6 B31 108.78(10) . . . . ?
B26 B23 B24 B25 -38.12(9) . . . . ?
B26 B23 B24 B28 99.85(10) . . . . ?
B26 B23 B24 B29 62.63(11) . . . . ?
B26 B23 B24 C5 -0.11(11) . . . . ?
B26 B23 B25 B24 137.55(9) . . . . ?
B26 B23 B25 C5 98.88(9) . . . . ?
B26 B23 B25 C6 39.06(8) . . . . ?
B26 B23 B27 B28 -138.03(9) . . . . ?
B26 B23 B27 B31 -37.45(9) . . . . ?
B26 B23 B27 B32 -100.71(10) . . . . ?
B26 B23 B28 B24 -101.09(10) . . . . ?
B26 B23 B28 B27 37.17(9) . . . . ?
B26 B23 B28 B29 -64.33(11) . . . . ?
B26 B23 B28 B32 -0.51(12) . . . . ?
B26 B25 C5 B1 -137.35(10) . . . . ?
B26 B25 C5 B24 101.05(9) . . . . ?
B26 B25 C5 B29 65.30(11) . . . . ?
B26 B25 C5 B30 -0.04(11) . . . . ?
B26 B25 C5 C6 -32.84(8) . . . . ?
B26 B25 C6 B30 107.59(10) . . . . ?
B26 B25 C6 B31 36.58(9) . . . . ?
B26 B25 C6 C5 142.04(9) . . . . ?
B26 B27 B28 B23 -37.12(9) . . . . ?
B26 B27 B28 B24 0.30(12) . . . . ?
B26 B27 B28 B29 63.54(11) . . . . ?
B26 B27 B28 B32 101.13(10) . . . . ?
B26 B27 B31 B30 -100.65(10) . . . . ?
B26 B27 B31 B32 -137.91(10) . . . . ?
B26 B27 B31 C6 -39.27(8) . . . . ?
B26 B27 B32 B28 -100.10(10) . . . . ?
B26 B27 B32 B29 -62.95(12) . . . . ?
B26 B27 B32 B30 -0.02(13) . . . . ?
B26 B27 B32 B31 37.76(9) . . . . ?
B26 B31 B32 B27 -37.56(9) . . . . ?
B26 B31 B32 B28 -0.20(12) . . . . ?
B26 B31 B32 B29 62.76(11) . . . . ?
B26 B31 B32 B30 100.33(10) . . . . ?
B26 B31 C6 B25 -36.65(10) . . . . ?
B26 B31 C6 B30 -142.74(10) . . . . ?
B26 B31 C6 C5 -107.32(10) . . . . ?
B27 B23 B24 B25 -101.05(10) . . . . ?
B27 B23 B24 B28 36.91(9) . . . . ?
B27 B23 B24 B29 -0.30(12) . . . . ?
B27 B23 B24 C5 -63.05(11) . . . . ?
B27 B23 B25 B24 100.07(10) . . . . ?
B27 B23 B25 B26 -37.49(9) . . . . ?
B27 B23 B25 C5 61.39(11) . . . . ?
B27 B23 B25 C6 1.58(11) . . . . ?
B27 B23 B26 B25 137.87(9) . . . . ?
B27 B23 B26 B31 37.45(9) . . . . ?
B27 B23 B26 C6 98.46(9) . . . . ?
B27 B23 B28 B24 -138.26(9) . . . . ?
B27 B23 B28 B29 -101.50(10) . . . . ?
B27 B23 B28 B32 -37.68(9) . . . . ?
B27 B26 B31 B30 100.50(10) . . . . ?
B27 B26 B31 B32 37.80(9) . . . . ?
B27 B26 B31 C6 133.50(10) . . . . ?
B27 B26 C6 B25 103.28(10) . . . . ?
B27 B26 C6 B30 -3.55(13) . . . . ?
B27 B26 C6 B31 -40.30(9) . . . . ?
B27 B26 C6 C5 66.02(11) . . . . ?
B27 B28 B29 B24 -101.11(10) . . . . ?
B27 B28 B29 B30 0.43(11) . . . . ?
B27 B28 B29 B32 37.64(9) . . . . ?
B27 B28 B29 C5 -61.88(11) . . . . ?
B27 B28 B32 B29 -138.18(9) . . . . ?
B27 B28 B32 B30 -100.96(10) . . . . ?
B27 B28 B32 B31 -37.38(9) . . . . ?
B27 B31 B32 B28 37.35(9) . . . . ?
B27 B31 B32 B29 100.32(10) . . . . ?
B27 B31 B32 B30 137.89(9) . . . . ?
B27 B31 C6 B25 3.56(13) . . . . ?
B27 B31 C6 B26 40.22(9) . . . . ?
B27 B31 C6 B30 -102.52(10) . . . . ?
B27 B31 C6 C5 -67.10(11) . . . . ?
B28 B23 B24 B25 -137.96(9) . . . . ?
B28 B23 B24 B29 -37.22(9) . . . . ?
B28 B23 B24 C5 -99.96(9) . . . . ?
B28 B23 B25 B24 37.34(9) . . . . ?
B28 B23 B25 B26 -100.21(10) . . . . ?
B28 B23 B25 C5 -1.33(12) . . . . ?
B28 B23 B25 C6 -61.15(11) . . . . ?
B28 B23 B26 B25 100.80(9) . . . . ?
B28 B23 B26 B27 -37.07(9) . . . . ?
B28 B23 B26 B31 0.38(12) . . . . ?
B28 B23 B26 C6 61.39(11) . . . . ?
B28 B23 B27 B26 138.03(9) . . . . ?
B28 B23 B27 B31 100.57(10) . . . . ?
B28 B23 B27 B32 37.32(9) . . . . ?
B28 B24 B25 B23 -37.77(9) . . . . ?
B28 B24 B25 B26 -0.22(11) . . . . ?
B28 B24 B25 C5 98.83(9) . . . . ?
B28 B24 B25 C6 60.02(11) . . . . ?
B28 B24 B29 B30 -100.15(10) . . . . ?
B28 B24 B29 B32 -37.03(9) . . . . ?
B28 B24 B29 C5 -135.92(9) . . . . ?
B28 B24 C5 B1 147.06(10) . . . . ?
B28 B24 C5 B25 -101.67(10) . . . . ?
B28 B24 C5 B29 39.06(8) . . . . ?
B28 B24 C5 B30 2.35(11) . . . . ?
B28 B24 C5 C6 -61.42(10) . . . . ?
B28 B27 B31 B26 100.31(10) . . . . ?
B28 B27 B31 B30 -0.33(12) . . . . ?
B28 B27 B31 B32 -37.59(9) . . . . ?
B28 B27 B31 C6 61.04(11) . . . . ?
B28 B27 B32 B29 37.15(8) . . . . ?
B28 B27 B32 B30 100.08(10) . . . . ?
B28 B27 B32 B31 137.86(9) . . . . ?
B28 B29 B30 B31 -0.63(11) . . . . ?
B28 B29 B30 B32 37.44(8) . . . . ?
B28 B29 B30 C5 -99.82(9) . . . . ?
B28 B29 B30 C6 -61.20(10) . . . . ?
B28 B29 B32 B27 -37.12(9) . . . . ?
B28 B29 B32 B30 -138.02(9) . . . . ?
B28 B29 B32 B31 -100.12(10) . . . . ?
B28 B29 C5 B1 -161.15(9) . . . . ?
B28 B29 C5 B24 -39.15(9) . . . . ?
B28 B29 C5 B25 -3.22(12) . . . . ?
B28 B29 C5 B30 100.63(10) . . . . ?
B28 B29 C5 C6 59.86(11) . . . . ?
B29 B24 B25 B23 -101.54(10) . . . . ?
B29 B24 B25 B26 -63.99(11) . . . . ?
B29 B24 B25 C5 35.05(8) . . . . ?
B29 B24 B25 C6 -3.75(11) . . . . ?
B29 B24 B28 B23 138.70(10) . . . . ?
B29 B24 B28 B27 100.97(10) . . . . ?
B29 B24 B28 B32 37.04(9) . . . . ?
B29 B24 C5 B1 108.01(12) . . . . ?
B29 B24 C5 B25 -140.73(9) . . . . ?
B29 B24 C5 B30 -36.70(8) . . . . ?
B29 B24 C5 C6 -100.47(9) . . . . ?
B29 B28 B32 B27 138.18(9) . . . . ?
B29 B28 B32 B30 37.21(8) . . . . ?
B29 B28 B32 B31 100.80(10) . . . . ?
B29 B30 B31 B26 -62.54(11) . . . . ?
B29 B30 B31 B27 0.60(12) . . . . ?
B29 B30 B31 B32 38.32(9) . . . . ?
B29 B30 B31 C6 -95.14(9) . . . . ?
B29 B30 B32 B27 -100.20(10) . . . . ?
B29 B30 B32 B28 -37.26(9) . . . . ?
B29 B30 B32 B31 -137.69(9) . . . . ?
B29 B30 C5 B1 -115.50(9) . . . . ?
B29 B30 C5 B24 36.48(8) . . . . ?
B29 B30 C5 B25 101.60(9) . . . . ?
B29 B30 C5 C6 134.08(9) . . . . ?
B29 B30 C6 B25 -5.18(12) . . . . ?
B29 B30 C6 B26 66.46(11) . . . . ?
B29 B30 C6 B31 103.46(10) . . . . ?
B29 B30 C6 C5 -39.92(8) . . . . ?
B29 C5 C6 B25 -103.71(9) . . . . ?
B29 C5 C6 B26 -66.06(11) . . . . ?
B29 C5 C6 B30 40.85(8) . . . . ?
B29 C5 C6 B31 5.07(12) . . . . ?
B30 B29 B32 B27 100.90(10) . . . . ?
B30 B29 B32 B28 138.02(9) . . . . ?
B30 B29 B32 B31 37.90(9) . . . . ?
B30 B29 C5 B1 98.22(10) . . . . ?
B30 B29 C5 B24 -139.77(9) . . . . ?
B30 B29 C5 B25 -103.85(9) . . . . ?
B30 B29 C5 C6 -40.77(8) . . . . ?
B30 B31 B32 B27 -137.89(9) . . . . ?
B30 B31 B32 B28 -100.53(10) . . . . ?
B30 B31 B32 B29 -37.57(8) . . . . ?
B30 B31 C6 B25 106.09(10) . . . . ?
B30 B31 C6 B26 142.74(10) . . . . ?
B30 B31 C6 C5 35.42(9) . . . . ?
B30 C5 C6 B25 -144.56(9) . . . . ?
B30 C5 C6 B26 -106.92(10) . . . . ?
B30 C5 C6 B31 -35.78(9) . . . . ?
B31 B26 B27 B23 -138.21(10) . . . . ?
B31 B26 B27 B28 -100.87(10) . . . . ?
B31 B26 B27 B32 -37.57(9) . . . . ?
B31 B26 C6 B25 143.58(10) . . . . ?
B31 B26 C6 B30 36.75(10) . . . . ?
B31 B26 C6 C5 106.32(10) . . . . ?
B31 B27 B28 B23 -100.71(10) . . . . ?
B31 B27 B28 B24 -63.29(11) . . . . ?
B31 B27 B28 B29 -0.06(12) . . . . ?
B31 B27 B28 B32 37.54(9) . . . . ?
B31 B27 B32 B28 -137.86(9) . . . . ?
B31 B27 B32 B29 -100.71(10) . . . . ?
B31 B27 B32 B30 -37.78(9) . . . . ?
B31 B30 B32 B27 37.49(9) . . . . ?
B31 B30 B32 B28 100.44(10) . . . . ?
B31 B30 B32 B29 137.69(9) . . . . ?
B31 B30 C5 B1 142.37(9) . . . . ?
B31 B30 C5 B24 -65.65(11) . . . . ?
B31 B30 C5 B25 -0.53(12) . . . . ?
B31 B30 C5 B29 -102.14(10) . . . . ?
B31 B30 C5 C6 31.94(8) . . . . ?
B31 B30 C6 B25 -108.63(10) . . . . ?
B31 B30 C6 B26 -37.00(10) . . . . ?
B31 B30 C6 C5 -143.38(9) . . . . ?
B32 B27 B28 B23 -138.25(9) . . . . ?
B32 B27 B28 B24 -100.83(10) . . . . ?
B32 B27 B28 B29 -37.60(8) . . . . ?
B32 B27 B31 B26 137.91(10) . . . . ?
B32 B27 B31 B30 37.26(8) . . . . ?
B32 B27 B31 C6 98.63(10) . . . . ?
B32 B28 B29 B24 -138.75(10) . . . . ?
B32 B28 B29 B30 -37.22(8) . . . . ?
B32 B28 B29 C5 -99.53(9) . . . . ?
B32 B29 B30 B31 -38.08(8) . . . . ?
B32 B29 B30 C5 -137.27(9) . . . . ?
B32 B29 B30 C6 -98.65(9) . . . . ?
B32 B29 C5 B1 135.82(10) . . . . ?
B32 B29 C5 B24 -102.17(10) . . . . ?
B32 B29 C5 B25 -66.25(10) . . . . ?
B32 B29 C5 B30 37.60(8) . . . . ?
B32 B29 C5 C6 -3.17(11) . . . . ?
B32 B30 B31 B26 -100.86(10) . . . . ?
B32 B30 B31 B27 -37.72(9) . . . . ?
B32 B30 B31 C6 -133.46(9) . . . . ?
B32 B30 C5 B1 -154.10(9) . . . . ?
B32 B30 C5 B24 -2.12(11) . . . . ?
B32 B30 C5 B25 63.01(11) . . . . ?
B32 B30 C5 B29 -38.60(9) . . . . ?
B32 B30 C5 C6 95.48(9) . . . . ?
B32 B30 C6 B25 -68.08(11) . . . . ?
B32 B30 C6 B26 3.55(12) . . . . ?
B32 B30 C6 B31 40.55(9) . . . . ?
B32 B30 C6 C5 -102.83(9) . . . . ?
B32 B31 C6 B25 66.00(12) . . . . ?
B32 B31 C6 B26 102.65(10) . . . . ?
B32 B31 C6 B30 -40.09(8) . . . . ?
B32 B31 C6 C5 -4.67(12) . . . . ?
C1 B1 C3 B12 -56.48(13) . . . . ?
C1 B1 C3 B18 165.83(9) . . . . ?
C1 B1 C3 B19 96.83(11) . . . . ?
C1 B1 C3 B21 20.96(15) . . . . ?
C1 B1 C3 C4 -127.00(9) . . . . ?
C1 B1 C5 B24 159.29(9) . . . . ?
C1 B1 C5 B25 80.80(12) . . . . ?
C1 B1 C5 B29 -124.43(10) . . . . ?
C1 B1 C5 B30 -56.48(11) . . . . ?
C1 B1 C5 C6 10.44(12) . . . . ?
C1 B2 B3 B4 -63.23(11) . . . . ?
C1 B2 B3 B5 -100.36(10) . . . . ?
C1 B2 B3 B7 -0.16(12) . . . . ?
C1 B2 B3 B11 38.16(8) . . . . ?
C1 B2 B5 B3 100.85(9) . . . . ?
C1 B2 B5 B4 63.24(11) . . . . ?
C1 B2 B5 B9 -0.68(12) . . . . ?
C1 B2 B5 B10 -37.52(8) . . . . ?
C1 B2 B10 B5 137.40(9) . . . . ?
C1 B2 B10 B8 36.55(8) . . . . ?
C1 B2 B10 B9 100.27(10) . . . . ?
C1 B2 B11 B3 -137.01(9) . . . . ?
C1 B2 B11 B7 -99.38(9) . . . . ?
C1 B2 B11 C2 -39.08(7) . . . . ?
C1 B8 B9 B4 -62.34(11) . . . . ?
C1 B8 B9 B5 0.72(12) . . . . ?
C1 B8 B9 B6 -99.32(10) . . . . ?
C1 B8 B9 B10 37.52(8) . . . . ?
C1 B8 B10 B2 -36.74(8) . . . . ?
C1 B8 B10 B5 -100.56(9) . . . . ?
C1 B8 B10 B9 -137.61(9) . . . . ?
C1 B8 C2 B6 142.59(10) . . . . ?
C1 B8 C2 B7 106.34(10) . . . . ?
C1 B8 C2 B11 34.73(9) . . . . ?
C1 B11 C2 B6 -105.49(10) . . . . ?
C1 B11 C2 B7 -141.62(9) . . . . ?
C1 B11 C2 B8 -34.41(9) . . . . ?
C2 B6 B7 B3 95.69(10) . . . . ?
C2 B6 B7 B4 133.66(9) . . . . ?
C2 B6 B7 B11 31.97(8) . . . . ?
C2 B6 B8 B9 -133.46(10) . . . . ?
C2 B6 B8 B10 -94.77(10) . . . . ?
C2 B6 B8 C1 -32.30(8) . . . . ?
C2 B6 B9 B4 -98.52(10) . . . . ?
C2 B6 B9 B5 -61.23(11) . . . . ?
C2 B6 B9 B8 39.93(8) . . . . ?
C2 B6 B9 B10 1.81(12) . . . . ?
C2 B7 B11 B2 95.63(9) . . . . ?
C2 B7 B11 B3 133.29(9) . . . . ?
C2 B7 B11 C1 33.09(8) . . . . ?
C2 B8 B9 B4 -2.46(12) . . . . ?
C2 B8 B9 B5 60.60(11) . . . . ?
C2 B8 B9 B6 -39.43(8) . . . . ?
C2 B8 B9 B10 97.40(9) . . . . ?
C2 B8 B10 B2 2.03(11) . . . . ?
C2 B8 B10 B5 -61.78(11) . . . . ?
C2 B8 B10 B9 -98.84(9) . . . . ?
C2 B8 B10 C1 38.77(8) . . . . ?
C2 B8 C1 B1 112.14(9) . . . . ?
C2 B8 C1 B2 -96.87(9) . . . . ?
C2 B8 C1 B10 -133.70(9) . . . . ?
C2 B8 C1 B11 -31.94(8) . . . . ?
C2 B11 C1 B1 -106.70(11) . . . . ?
C2 B11 C1 B2 133.42(9) . . . . ?
C2 B11 C1 B8 32.30(8) . . . . ?
C2 B11 C1 B10 97.44(9) . . . . ?
C3 B1 C1 B2 160.29(9) . . . . ?
C3 B1 C1 B8 -56.03(11) . . . . ?
C3 B1 C1 B10 -124.24(10) . . . . ?
C3 B1 C1 B11 82.44(12) . . . . ?
C3 B1 C1 C2 11.45(13) . . . . ?
C3 B1 C5 B24 21.32(15) . . . . ?
C3 B1 C5 B25 -57.17(13) . . . . ?
C3 B1 C5 B29 97.60(11) . . . . ?
C3 B1 C5 B30 165.54(9) . . . . ?
C3 B1 C5 C6 -127.53(9) . . . . ?
C3 B12 B13 B14 99.31(10) . . . . ?
C3 B12 B13 B15 61.92(12) . . . . ?
C3 B12 B13 B16 -0.86(12) . . . . ?
C3 B12 B13 B21 -38.22(8) . . . . ?
C3 B12 B14 B13 -100.59(10) . . . . ?
C3 B12 B14 B15 -62.61(11) . . . . ?
C3 B12 B14 B22 0.81(13) . . . . ?
C3 B12 B14 C4 33.16(8) . . . . ?
C3 B12 B21 B13 137.05(9) . . . . ?
C3 B12 B21 B16 98.83(10) . . . . ?
C3 B12 B21 B19 34.70(8) . . . . ?
C3 B12 C4 B14 -141.75(10) . . . . ?
C3 B12 C4 B18 -34.17(9) . . . . ?
C3 B12 C4 B22 -105.20(10) . . . . ?
C3 B18 B19 B16 -99.92(10) . . . . ?
C3 B18 B19 B17 -137.24(9) . . . . ?
C3 B18 B19 B21 -36.67(8) . . . . ?
C3 B18 B22 B14 -0.41(12) . . . . ?
C3 B18 B22 B15 62.96(12) . . . . ?
C3 B18 B22 B17 100.96(10) . . . . ?
C3 B18 B22 C4 -32.63(8) . . . . ?
C3 B18 C4 B12 34.21(9) . . . . ?
C3 B18 C4 B14 105.92(10) . . . . ?
C3 B18 C4 B22 142.33(9) . . . . ?
C3 B19 B21 B12 -34.58(8) . . . . ?
C3 B19 B21 B13 -98.48(10) . . . . ?
C3 B19 B21 B16 -136.38(10) . . . . ?
C4 B12 B13 B14 39.08(8) . . . . ?
C4 B12 B13 B15 1.69(12) . . . . ?
C4 B12 B13 B16 -61.08(11) . . . . ?
C4 B12 B13 B21 -98.45(9) . . . . ?
C4 B12 B14 B13 -133.76(10) . . . . ?
C4 B12 B14 B15 -95.78(10) . . . . ?
C4 B12 B14 B22 -32.35(9) . . . . ?
C4 B12 B21 B13 97.79(9) . . . . ?
C4 B12 B21 B16 59.56(11) . . . . ?
C4 B12 B21 B19 -4.56(11) . . . . ?
C4 B12 B21 C3 -39.26(8) . . . . ?
C4 B12 C3 B1 -106.28(11) . . . . ?
C4 B12 C3 B18 32.09(9) . . . . ?
C4 B12 C3 B19 97.75(9) . . . . ?
C4 B12 C3 B21 133.58(9) . . . . ?
C4 B14 B15 B13 -98.49(10) . . . . ?
C4 B14 B15 B16 -60.87(11) . . . . ?
C4 B14 B15 B17 2.22(12) . . . . ?
C4 B14 B15 B22 39.54(9) . . . . ?
C4 B14 B22 B15 -133.74(10) . . . . ?
C4 B14 B22 B17 -95.57(10) . . . . ?
C4 B14 B22 B18 -32.47(9) . . . . ?
C4 B18 B19 B16 -61.45(11) . . . . ?
C4 B18 B19 B17 -98.77(9) . . . . ?
C4 B18 B19 B21 1.80(12) . . . . ?
C4 B18 B19 C3 38.47(8) . . . . ?
C4 B18 B22 B14 32.22(9) . . . . ?
C4 B18 B22 B15 95.59(10) . . . . ?
C4 B18 B22 B17 133.59(9) . . . . ?
C4 B18 C3 B1 110.83(9) . . . . ?
C4 B18 C3 B12 -31.95(8) . . . . ?
C4 B18 C3 B19 -134.32(9) . . . . ?
C4 B18 C3 B21 -97.41(9) . . . . ?
C5 B1 C1 B2 22.13(14) . . . . ?
C5 B1 C1 B8 165.81(8) . . . . ?
C5 B1 C1 B10 97.59(11) . . . . ?
C5 B1 C1 B11 -55.72(13) . . . . ?
C5 B1 C1 C2 -126.72(10) . . . . ?
C5 B1 C3 B12 81.54(12) . . . . ?
C5 B1 C3 B18 -56.14(11) . . . . ?
C5 B1 C3 B19 -125.14(10) . . . . ?
C5 B1 C3 B21 158.98(10) . . . . ?
C5 B1 C3 C4 11.02(13) . . . . ?
C5 B24 B25 B23 -136.59(9) . . . . ?
C5 B24 B25 B26 -99.05(9) . . . . ?
C5 B24 B25 C6 -38.81(7) . . . . ?
C5 B24 B28 B23 99.98(9) . . . . ?
C5 B24 B28 B27 62.25(11) . . . . ?
C5 B24 B28 B29 -38.72(8) . . . . ?
C5 B24 B28 B32 -1.68(12) . . . . ?
C5 B24 B29 B28 135.92(9) . . . . ?
C5 B24 B29 B30 35.77(8) . . . . ?
C5 B24 B29 B32 98.89(9) . . . . ?
C5 B25 B26 B23 -100.95(9) . . . . ?
C5 B25 B26 B27 -62.77(11) . . . . ?
C5 B25 B26 B31 0.59(12) . . . . ?
C5 B25 B26 C6 32.71(8) . . . . ?
C5 B25 C6 B26 -142.04(9) . . . . ?
C5 B25 C6 B30 -34.45(8) . . . . ?
C5 B25 C6 B31 -105.46(10) . . . . ?
C5 B29 B30 B31 99.19(9) . . . . ?
C5 B29 B30 B32 137.27(9) . . . . ?
C5 B29 B30 C6 38.62(7) . . . . ?
C5 B29 B32 B27 63.46(11) . . . . ?
C5 B29 B32 B28 100.59(9) . . . . ?
C5 B29 B32 B30 -37.43(8) . . . . ?
C5 B29 B32 B31 0.47(12) . . . . ?
C5 B30 B31 B26 0.89(12) . . . . ?
C5 B30 B31 B27 64.03(11) . . . . ?
C5 B30 B31 B32 101.75(9) . . . . ?
C5 B30 B31 C6 -31.71(8) . . . . ?
C5 B30 B32 B27 -61.92(12) . . . . ?
C5 B30 B32 B28 1.02(12) . . . . ?
C5 B30 B32 B29 38.28(8) . . . . ?
C5 B30 B32 B31 -99.41(9) . . . . ?
C5 B30 C6 B25 34.74(9) . . . . ?
C5 B30 C6 B26 106.38(10) . . . . ?
C5 B30 C6 B31 143.38(9) . . . . ?
C6 B25 B26 B23 -133.67(9) . . . . ?
C6 B25 B26 B27 -95.48(10) . . . . ?
C6 B25 B26 B31 -32.12(8) . . . . ?
C6 B25 C5 B1 -104.50(11) . . . . ?
C6 B25 C5 B24 133.90(9) . . . . ?
C6 B25 C5 B29 98.15(9) . . . . ?
C6 B25 C5 B30 32.81(8) . . . . ?
C6 B26 B27 B23 -98.62(10) . . . . ?
C6 B26 B27 B28 -61.29(11) . . . . ?
C6 B26 B27 B31 39.58(9) . . . . ?
C6 B26 B27 B32 2.02(13) . . . . ?
C6 B26 B31 B27 -133.50(10) . . . . ?
C6 B26 B31 B30 -33.00(8) . . . . ?
C6 B26 B31 B32 -95.70(10) . . . . ?
C6 B30 B31 B26 32.60(8) . . . . ?
C6 B30 B31 B27 95.74(10) . . . . ?
C6 B30 B31 B32 133.46(9) . . . . ?
C6 B30 B32 B27 -1.96(12) . . . . ?
C6 B30 B32 B28 60.99(11) . . . . ?
C6 B30 B32 B29 98.24(9) . . . . ?
C6 B30 B32 B31 -39.45(8) . . . . ?
C6 B30 C5 B1 110.42(9) . . . . ?
C6 B30 C5 B24 -97.60(9) . . . . ?
C6 B30 C5 B25 -32.47(8) . . . . ?
C6 B30 C5 B29 -134.08(9) . . . . ?
C6 B31 B32 B27 -97.99(10) . . . . ?
C6 B31 B32 B28 -60.64(11) . . . . ?
C6 B31 B32 B29 2.33(12) . . . . ?
C6 B31 B32 B30 39.90(8) . . . . ?
C7 B1 C1 B2 -87.81(12) . . . . ?
C7 B1 C1 B8 55.87(10) . . . . ?
C7 B1 C1 B10 -12.34(12) . . . . ?
C7 B1 C1 B11 -165.66(9) . . . . ?
C7 B1 C1 C2 123.34(9) . . . . ?
C7 B1 C3 B12 -168.85(9) . . . . ?
C7 B1 C3 B18 53.46(10) . . . . ?
C7 B1 C3 B19 -15.54(12) . . . . ?
C7 B1 C3 B21 -91.41(12) . . . . ?
C7 B1 C3 C4 120.63(9) . . . . ?
C7 B1 C5 B24 -89.29(12) . . . . ?
C7 B1 C5 B25 -167.78(9) . . . . ?
C7 B1 C5 B29 -13.01(12) . . . . ?
C7 B1 C5 B30 54.93(10) . . . . ?
C7 B1 C5 C6 121.86(9) . . . . ?
C8 C9 C10 C11 -0.80(19) . . . . ?
C9 C8 C13 C12 -5.20(17) . . . . ?
C9 C8 C13 C15 171.02(11) . . . . ?
C9 C10 C11 C12 -2.1(2) . . . . ?
C10 C11 C12 C13 1.5(2) . . . . ?
C11 C12 C13 C8 2.00(18) . . . . ?
C11 C12 C13 C15 -174.28(12) . . . . ?
C13 C8 C9 C10 4.62(18) . . . . ?
C13 C8 C9 C14 -173.97(11) . . . . ?
C14 C9 C10 C11 177.81(13) . . . . ?
N1 C8 C9 C10 -176.31(10) . . . . ?
N1 C8 C9 C14 5.10(17) . . . . ?
N1 C8 C13 C12 175.73(10) . . . . ?
N1 C8 C13 C15 -8.05(16) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Vapour deposition'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
