# Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics.
# This journal is © the Owner Societies 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. 
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data_20210506_cnaph_re3
_database_code_depnum_ccdc_archive 'CCDC 2236202'
loop_
_audit_author_name
_audit_author_address
'Junki Ochi'
;Kyoto University
Japan
;
_audit_update_record             
;
2023-01-14 deposited with the CCDC.	2023-03-28 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT410_20210506_cnaph_re3  
;
PROBLEM: Short Intra H...H Contact  H00M     ..H00W     .       1.86 Ang.
RESPONSE: Due to the rigidity of the ring-fused structure.
;
_vrf_PLAT910_20210506_cnaph_re3  
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         11 Note
RESPONSE: Probably due to geometry of the experiment.
;
# Added during the CSD deposition process: Saturday 14 January 2023 10:33 AM
# end Validation Reply Form

_audit_creation_date             2023-01-14
_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        ?
_chemical_formula_moiety         'C18 H20 B10'
_chemical_formula_sum            'C18 H20 B10'
_chemical_formula_weight         344.44
_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'

_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                   10.227(5)
_cell_length_b                   13.290(8)
_cell_length_c                   14.005(7)
_cell_angle_alpha                105.691(10)
_cell_angle_beta                 95.959(8)
_cell_angle_gamma                90.075(9)
_cell_volume                     1821.8(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2317
_cell_measurement_temperature    143
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_shelx_estimated_absorpt_T_max   0.999
_shelx_estimated_absorpt_T_min   0.997
_exptl_absorpt_coefficient_mu    0.063
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.789
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.256
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Prism
_exptl_crystal_F_000             712
_exptl_crystal_preparation       Fiber
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0757
_diffrn_reflns_av_unetI/netI     0.1665
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.954
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14940
_diffrn_reflns_point_group_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.954
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.520
_diffrn_reflns_theta_min         3.024
_diffrn_ambient_temperature      143
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_details      
;
scan:
	Number of images: 360
	           Slice: -110.0000 - 70.0000
	     Image width: 0.5000
	        Exp time: 8.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 45.0000
	             Phi: 0.0000
	             XTD: 44.9696
	          2theta: -20.0039
scan:
	Number of images: 360
	           Slice: -110.0000 - 70.0000
	     Image width: 0.5000
	        Exp time: 8.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 45.0000
	             Phi: 90.0000
	             XTD: 44.9696
	          2theta: -20.0039
;
_diffrn_measurement_device       
;
AFC10: Fixed Chi 2 circle
;
_diffrn_measurement_device_type  
;
Rigaku Saturn724+ (4x4 bin mode)
;
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support Fiber
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_source                   ?
_diffrn_source_current           24.0
_diffrn_source_power             1.2
_diffrn_source_voltage           50.0
_diffrn_special_details          
;
 ?
;
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3799
_reflns_number_total             8014
_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       
;
CrystalClear-SM Expert 2.1 b46 (Rigaku, 2016)
;
_computing_data_collection       
;
CrystalClear-SM Expert 2.1 b46 (Rigaku, 2016)
;
_computing_data_reduction        
;
CrystalClear-SM Expert 2.1 b46 (Rigaku, 2016)
;
_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, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.563
_refine_diff_density_min         -0.293
_refine_diff_density_rms         0.067
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         8014
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.2120
_refine_ls_R_factor_gt           0.1185
_refine_ls_restrained_S_all      1.093
_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)+(0.0711P)²+3.2557P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2348
_refine_ls_wR_factor_ref         0.2859
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C007(H007), C008(H008), C00A(H00A), C00B(H00B), C00D(H00D), C00E(H00E),
 C00G(H00G), C00J(H00J), C00M(H00M), C00O(H00O), C00P(H00P), C00Q(H00Q),
 C00R(H00R), C00U(H00U), C00V(H00V), C00W(H00W), C00X(H00X), C00Y(H00Y),
 C00Z(H00Z), C010(H010)
2.b Boron cage BH refined with riding coordinates:
 C00L(H00L), C00T(H00T), B(H), B012(H012), B013(H013), B014(H014), B015(H015),
 B016(H016), B017(H017), B018(H018), B019(H019), B01A(H01A), B01C(H01C),
 B01D(H01D), B01E(H01E), B01F(H01F), B01G(H01G), B01I(H01I), B01J(H01J),
 B01K(H01K)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C001 C 0.4131(4) 0.1147(4) 0.5892(3) 0.0261(10) Uani 1 1 d . . . . .
C002 C 0.3116(4) 0.1129(4) 0.5120(3) 0.0238(10) Uani 1 1 d . . . . .
C003 C 0.1908(4) 0.2094(4) 0.3916(3) 0.0268(11) Uani 1 1 d . . . . .
C004 C 0.2482(5) 0.4234(4) 0.4417(4) 0.0291(11) Uani 1 1 d . . . . .
C005 C 0.4636(4) 0.3303(4) 0.8756(3) 0.0267(11) Uani 1 1 d . . . . .
C006 C 0.2861(4) 0.2090(4) 0.4827(3) 0.0243(10) Uani 1 1 d . . . . .
C007 C 0.2688(5) -0.0699(4) 0.5061(4) 0.0318(12) Uani 1 1 d . . . . .
H007 H 0.220451 -0.131977 0.477466 0.038 Uiso 1 1 calc R U . . .
C008 C 0.4929(5) 0.2050(4) 0.6325(3) 0.0302(11) Uani 1 1 d . . . . .
H008 H 0.564651 0.203617 0.678675 0.036 Uiso 1 1 calc R U . . .
C009 C 0.5451(5) 0.1319(4) 0.8901(3) 0.0279(11) Uani 1 1 d . . . . .
C00A C 0.4642(5) 0.2948(4) 0.6062(3) 0.0303(11) Uani 1 1 d . . . . .
H00A H 0.517098 0.354211 0.636226 0.036 Uiso 1 1 calc R U . . .
C00B C 0.4387(5) 0.0241(4) 0.6230(4) 0.0302(11) Uani 1 1 d . . . . .
H00B H 0.506471 0.027004 0.673511 0.036 Uiso 1 1 calc R U . . .
C00C C 0.3308(5) 0.4087(4) 0.5228(4) 0.0290(11) Uani 1 1 d . . . . .
C00D C 0.2418(5) 0.0148(4) 0.4711(4) 0.0276(11) Uani 1 1 d . . . . .
H00D H 0.175694 0.008602 0.418792 0.033 Uiso 1 1 calc R U . . .
C00E C 0.2290(5) 0.5236(4) 0.4311(4) 0.0346(12) Uani 1 1 d . . . . .
H00E H 0.175518 0.532245 0.376156 0.042 Uiso 1 1 calc R U . . .
C00F C 0.3572(5) 0.3017(4) 0.5351(3) 0.0261(11) Uani 1 1 d . . . . .
C00G C 0.3655(5) 0.5969(4) 0.5833(4) 0.0373(13) Uani 1 1 d . . . . .
H00G H 0.403358 0.655074 0.631470 0.045 Uiso 1 1 calc R U . . .
C00H C 0.3681(5) 0.2533(4) 0.8665(3) 0.0301(11) Uani 1 1 d . . . . .
C00I C 0.2215(5) 0.2737(4) 0.8437(4) 0.0332(12) Uani 1 1 d . . . . .
C00J C 0.3674(5) -0.0658(4) 0.5840(4) 0.0327(12) Uani 1 1 d . . . . .
H00J H 0.383530 -0.123623 0.608363 0.039 Uiso 1 1 calc R U . . .
C00K C 0.3108(5) 0.4719(4) 0.8432(4) 0.0328(12) Uani 1 1 d . . . . .
C00L C 0.1749(5) 0.2836(4) 0.7298(3) 0.0300(11) Uani 1 1 d . . . . .
H00L H 0.246298 0.271239 0.674510 0.036 Uiso 1 1 calc R U . . .
C00M C 0.5392(5) 0.5146(4) 0.8723(4) 0.0348(12) Uani 1 1 d . . . . .
H00M H 0.625006 0.494232 0.883872 0.042 Uiso 1 1 calc R U . . .
C00N C 0.4077(5) 0.1520(4) 0.8743(4) 0.0370(13) Uani 1 1 d . . . . .
C00O C 0.2897(5) 0.5729(4) 0.8383(4) 0.0353(12) Uani 1 1 d . . . . .
H00O H 0.203512 0.593128 0.828125 0.042 Uiso 1 1 calc R U . . .
C00P C 0.3871(5) 0.4977(4) 0.5946(4) 0.0347(12) Uani 1 1 d . . . . .
H00P H 0.439519 0.489933 0.650354 0.042 Uiso 1 1 calc R U . . .
C00Q C 0.3228(5) 0.0619(4) 0.8656(4) 0.0344(12) Uani 1 1 d . . . . .
H00Q H 0.232133 0.069185 0.858789 0.041 Uiso 1 1 calc R U . . .
C00R C 0.5220(6) 0.6133(4) 0.8650(4) 0.0393(13) Uani 1 1 d . . . . .
H00R H 0.593767 0.658525 0.870973 0.047 Uiso 1 1 calc R U . . .
C00S C 0.4362(5) 0.4394(4) 0.8635(4) 0.0364(13) Uani 1 1 d . . . . .
C00T C 0.0476(5) 0.2692(4) 0.4025(4) 0.0356(12) Uani 1 1 d . . . . .
H00T H 0.016679 0.304227 0.476987 0.043 Uiso 1 1 calc R U . . .
C00U C 0.2875(5) 0.6101(4) 0.5003(4) 0.0403(14) Uani 1 1 d . . . . .
H00U H 0.274962 0.676564 0.491756 0.048 Uiso 1 1 calc R U . . .
C00V C 0.5873(6) 0.0328(4) 0.8912(4) 0.0389(13) Uani 1 1 d . . . . .
H00V H 0.677157 0.022810 0.901049 0.047 Uiso 1 1 calc R U . . .
C00W C 0.5975(5) 0.3113(5) 0.8971(4) 0.0426(14) Uani 1 1 d . . . . .
H00W H 0.660029 0.365023 0.906784 0.051 Uiso 1 1 calc R U . . .
C00X C 0.6369(5) 0.2139(5) 0.9039(4) 0.0413(14) Uani 1 1 d . . . . .
H00X H 0.725711 0.202807 0.917925 0.050 Uiso 1 1 calc R U . . .
C00Y C 0.3911(6) 0.6463(4) 0.8478(4) 0.0471(15) Uani 1 1 d . . . . .
H00Y H 0.374103 0.713650 0.843245 0.056 Uiso 1 1 calc R U . . .
C00Z C 0.3708(6) -0.0323(4) 0.8672(4) 0.0428(14) Uani 1 1 d . . . . .
H00Z H 0.311970 -0.087918 0.860249 0.051 Uiso 1 1 calc R U . . .
C010 C 0.5041(6) -0.0493(5) 0.8786(4) 0.0473(15) Uani 1 1 d . . . . .
H010 H 0.535233 -0.115243 0.877653 0.057 Uiso 1 1 calc R U . . .
B B 0.2524(6) 0.2252(4) 0.2883(4) 0.0284(13) Uani 1 1 d . . . . .
H H 0.358653 0.229069 0.282510 0.034 Uiso 1 1 calc R U . . .
B012 B 0.0172(5) 0.2434(5) 0.6873(4) 0.0289(13) Uani 1 1 d . . . . .
H012 H -0.020551 0.207300 0.608978 0.035 Uiso 1 1 calc R U . . .
B013 B 0.0881(6) 0.2208(5) 0.8839(4) 0.0336(14) Uani 1 1 d . . . . .
H013 H 0.097228 0.169162 0.933551 0.040 Uiso 1 1 calc R U . . .
B014 B -0.0334(5) 0.3154(5) 0.8918(4) 0.0312(13) Uani 1 1 d . . . . .
H014 H -0.105207 0.325598 0.946685 0.037 Uiso 1 1 calc R U . . .
B015 B 0.0650(6) 0.3776(5) 0.7313(4) 0.0335(14) Uani 1 1 d . . . . .
H015 H 0.060202 0.428273 0.680692 0.040 Uiso 1 1 calc R U . . .
B016 B 0.1768(6) 0.1070(4) 0.2847(4) 0.0291(13) Uani 1 1 d . . . . .
H016 H 0.231779 0.034764 0.277801 0.035 Uiso 1 1 calc R U . . .
B017 B 0.0416(6) 0.1363(5) 0.3586(4) 0.0325(13) Uani 1 1 d . . . . .
H017 H 0.007147 0.083615 0.399893 0.039 Uiso 1 1 calc R U . . .
B018 B 0.0140(6) 0.1073(5) 0.2284(4) 0.0324(13) Uani 1 1 d . . . . .
H018 H -0.037246 0.034312 0.183608 0.039 Uiso 1 1 calc R U . . .
B019 B 0.1441(6) 0.1642(5) 0.1841(4) 0.0342(14) Uani 1 1 d . . . . .
H019 H 0.176454 0.128969 0.110188 0.041 Uiso 1 1 calc R U . . .
B01A B -0.0766(6) 0.3309(5) 0.7699(5) 0.0330(14) Uani 1 1 d . . . . .
H01A H -0.176037 0.352169 0.745716 0.040 Uiso 1 1 calc R U . . .
B01B B 0.1748(6) 0.3292(5) 0.3665(4) 0.0330(14) Uani 1 1 d . . . . .
B01C B 0.1323(5) 0.3550(5) 0.9271(4) 0.0364(15) Uani 1 1 d . . . . .
H01C H 0.169826 0.390510 1.005615 0.044 Uiso 1 1 calc R U . . .
B01D B 0.1213(6) 0.1758(5) 0.7564(4) 0.0319(13) Uani 1 1 d . . . . .
H01D H 0.153658 0.096196 0.723415 0.038 Uiso 1 1 calc R U . . .
B01E B 0.1441(6) 0.3028(5) 0.2364(4) 0.0356(14) Uani 1 1 d . . . . .
H01E H 0.177459 0.357750 0.197047 0.043 Uiso 1 1 calc R U . . .
B01F B -0.0419(6) 0.2035(5) 0.7854(4) 0.0353(14) Uani 1 1 d . . . . .
H01F H -0.118165 0.141210 0.771270 0.042 Uiso 1 1 calc R U . . .
B01G B 0.0115(6) 0.3298(5) 0.3105(4) 0.0329(14) Uani 1 1 d . . . . .
H01G H -0.043073 0.402527 0.320130 0.039 Uiso 1 1 calc R U . . .
B01H B 0.1922(6) 0.3946(5) 0.8296(4) 0.0320(13) Uani 1 1 d . . . . .
B01I B -0.0078(7) 0.2296(5) 0.1975(5) 0.0400(15) Uani 1 1 d . . . . .
H01I H -0.073731 0.236877 0.132629 0.048 Uiso 1 1 calc R U . . .
B01J B 0.0318(6) 0.4223(5) 0.8575(5) 0.0382(15) Uani 1 1 d . . . . .
H01J H 0.002496 0.502903 0.890137 0.046 Uiso 1 1 calc R U . . .
B01K B -0.0685(6) 0.2109(5) 0.3051(5) 0.0354(14) Uani 1 1 d . . . . .
H01K H -0.174686 0.206340 0.310793 0.042 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C001 C002 1.415(6) . ?
C001 C008 1.406(6) . ?
C001 C00B 1.423(6) . ?
C002 C006 1.459(6) . ?
C002 C00D 1.431(6) . ?
C003 C006 1.524(6) . ?
C003 C00T 1.668(7) . ?
C003 B 1.699(7) . ?
C003 B016 1.722(7) . ?
C003 B017 1.758(7) . ?
C003 B01B 1.725(7) . ?
C004 C00C 1.401(7) . ?
C004 C00E 1.391(6) . ?
C004 B01B 1.536(8) . ?
C005 C00H 1.385(6) . ?
C005 C00S 1.527(7) . ?
C005 C00W 1.409(7) . ?
C006 C00F 1.408(6) . ?
C007 H007 0.9300 . ?
C007 C00D 1.362(6) . ?
C007 C00J 1.395(7) . ?
C008 H008 0.9300 . ?
C008 C00A 1.364(7) . ?
C009 C00N 1.437(7) . ?
C009 C00V 1.390(7) . ?
C009 C00X 1.398(7) . ?
C00A H00A 0.9300 . ?
C00A C00F 1.422(6) . ?
C00B H00B 0.9300 . ?
C00B C00J 1.349(7) . ?
C00C C00F 1.499(7) . ?
C00C C00P 1.407(7) . ?
C00D H00D 0.9300 . ?
C00E H00E 0.9300 . ?
C00E C00U 1.377(7) . ?
C00G H00G 0.9300 . ?
C00G C00P 1.385(7) . ?
C00G C00U 1.391(7) . ?
C00H C00I 1.541(7) . ?
C00H C00N 1.436(7) . ?
C00I C00L 1.656(7) . ?
C00I B013 1.744(7) . ?
C00I B01C 1.704(7) . ?
C00I B01D 1.765(8) . ?
C00I B01H 1.693(8) . ?
C00J H00J 0.9300 . ?
C00K C00O 1.380(7) . ?
C00K C00S 1.380(7) . ?
C00K B01H 1.551(7) . ?
C00L H00L 1.1000 . ?
C00L B012 1.693(7) . ?
C00L B015 1.679(8) . ?
C00L B01D 1.678(8) . ?
C00L B01H 1.730(7) . ?
C00M H00M 0.9300 . ?
C00M C00R 1.354(7) . ?
C00M C00S 1.423(7) . ?
C00N C00Q 1.449(7) . ?
C00O H00O 0.9300 . ?
C00O C00Y 1.393(7) . ?
C00P H00P 0.9300 . ?
C00Q H00Q 0.9300 . ?
C00Q C00Z 1.350(7) . ?
C00R H00R 0.9300 . ?
C00R C00Y 1.427(8) . ?
C00T H00T 1.1000 . ?
C00T B017 1.705(8) . ?
C00T B01B 1.714(8) . ?
C00T B01G 1.706(8) . ?
C00T B01K 1.721(8) . ?
C00U H00U 0.9300 . ?
C00V H00V 0.9300 . ?
C00V C010 1.344(7) . ?
C00W H00W 0.9300 . ?
C00W C00X 1.381(8) . ?
C00X H00X 0.9300 . ?
C00Y H00Y 0.9300 . ?
C00Z H00Z 0.9300 . ?
C00Z C010 1.382(8) . ?
C010 H010 0.9300 . ?
B H 1.1000 . ?
B B016 1.736(8) . ?
B B019 1.743(8) . ?
B B01B 1.762(8) . ?
B B01E 1.750(8) . ?
B012 H012 1.1000 . ?
B012 B015 1.772(8) . ?
B012 B01A 1.765(8) . ?
B012 B01D 1.770(8) . ?
B012 B01F 1.760(8) . ?
B013 H013 1.1000 . ?
B013 B014 1.759(8) . ?
B013 B01C 1.763(8) . ?
B013 B01D 1.792(8) . ?
B013 B01F 1.781(9) . ?
B014 H014 1.1000 . ?
B014 B01A 1.784(8) . ?
B014 B01C 1.754(8) . ?
B014 B01F 1.793(8) . ?
B014 B01J 1.769(9) . ?
B015 H015 1.1000 . ?
B015 B01A 1.765(8) . ?
B015 B01H 1.760(8) . ?
B015 B01J 1.775(9) . ?
B016 H016 1.1000 . ?
B016 B017 1.792(8) . ?
B016 B018 1.767(8) . ?
B016 B019 1.777(8) . ?
B017 H017 1.1000 . ?
B017 B018 1.750(8) . ?
B017 B01K 1.744(8) . ?
B018 H018 1.1000 . ?
B018 B019 1.775(9) . ?
B018 B01I 1.800(8) . ?
B018 B01K 1.775(8) . ?
B019 H019 1.1000 . ?
B019 B01E 1.788(9) . ?
B019 B01I 1.783(9) . ?
B01A H01A 1.1000 . ?
B01A B01F 1.796(8) . ?
B01A B01J 1.766(8) . ?
B01B B01E 1.754(8) . ?
B01B B01G 1.771(8) . ?
B01C H01C 1.1000 . ?
B01C B01H 1.755(8) . ?
B01C B01J 1.753(9) . ?
B01D H01D 1.1000 . ?
B01D B01F 1.774(8) . ?
B01E H01E 1.1000 . ?
B01E B01G 1.771(8) . ?
B01E B01I 1.785(9) . ?
B01F H01F 1.1000 . ?
B01G H01G 1.1000 . ?
B01G B01I 1.763(9) . ?
B01G B01K 1.759(9) . ?
B01H B01J 1.742(8) . ?
B01I H01I 1.1000 . ?
B01I B01K 1.764(9) . ?
B01J H01J 1.1000 . ?
B01K H01K 1.1000 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C002 C001 C00B 120.7(4) . . ?
C008 C001 C002 120.8(4) . . ?
C008 C001 C00B 118.6(4) . . ?
C001 C002 C006 118.5(4) . . ?
C001 C002 C00D 115.2(4) . . ?
C00D C002 C006 126.3(4) . . ?
C006 C003 C00T 121.6(4) . . ?
C006 C003 B 118.7(4) . . ?
C006 C003 B016 122.3(4) . . ?
C006 C003 B017 123.7(4) . . ?
C006 C003 B01B 115.0(4) . . ?
C00T C003 B 108.7(4) . . ?
C00T C003 B016 109.3(4) . . ?
C00T C003 B017 59.6(3) . . ?
C00T C003 B01B 60.6(3) . . ?
B C003 B016 61.0(3) . . ?
B C003 B017 110.5(4) . . ?
B C003 B01B 61.9(3) . . ?
B016 C003 B017 62.0(3) . . ?
B016 C003 B01B 112.4(4) . . ?
B01B C003 B017 111.1(4) . . ?
C00C C004 B01B 119.9(4) . . ?
C00E C004 C00C 120.1(5) . . ?
C00E C004 B01B 119.9(5) . . ?
C00H C005 C00S 124.7(4) . . ?
C00H C005 C00W 120.6(5) . . ?
C00W C005 C00S 114.7(4) . . ?
C002 C006 C003 121.2(4) . . ?
C00F C006 C002 119.6(4) . . ?
C00F C006 C003 119.1(4) . . ?
C00D C007 H007 119.2 . . ?
C00D C007 C00J 121.6(5) . . ?
C00J C007 H007 119.2 . . ?
C001 C008 H008 120.3 . . ?
C00A C008 C001 119.4(5) . . ?
C00A C008 H008 120.3 . . ?
C00V C009 C00N 121.1(5) . . ?
C00V C009 C00X 120.0(5) . . ?
C00X C009 C00N 118.8(5) . . ?
C008 C00A H00A 118.5 . . ?
C008 C00A C00F 123.0(5) . . ?
C00F C00A H00A 118.5 . . ?
C001 C00B H00B 119.1 . . ?
C00J C00B C001 121.8(5) . . ?
C00J C00B H00B 119.1 . . ?
C004 C00C C00F 121.7(4) . . ?
C004 C00C C00P 118.1(5) . . ?
C00P C00C C00F 120.2(4) . . ?
C002 C00D H00D 118.9 . . ?
C007 C00D C002 122.3(5) . . ?
C007 C00D H00D 118.9 . . ?
C004 C00E H00E 119.4 . . ?
C00U C00E C004 121.3(5) . . ?
C00U C00E H00E 119.4 . . ?
C006 C00F C00A 118.0(4) . . ?
C006 C00F C00C 125.8(4) . . ?
C00A C00F C00C 116.1(4) . . ?
C00P C00G H00G 119.8 . . ?
C00P C00G C00U 120.4(5) . . ?
C00U C00G H00G 119.8 . . ?
C005 C00H C00I 120.9(4) . . ?
C005 C00H C00N 119.1(5) . . ?
C00N C00H C00I 119.9(5) . . ?
C00H C00I C00L 116.1(4) . . ?
C00H C00I B013 126.9(4) . . ?
C00H C00I B01C 123.5(4) . . ?
C00H C00I B01D 119.1(4) . . ?
C00H C00I B01H 114.0(4) . . ?
C00L C00I B013 107.3(4) . . ?
C00L C00I B01C 109.8(4) . . ?
C00L C00I B01D 58.7(3) . . ?
C00L C00I B01H 62.2(3) . . ?
B013 C00I B01D 61.4(3) . . ?
B01C C00I B013 61.5(3) . . ?
B01C C00I B01D 111.9(4) . . ?
B01H C00I B013 112.3(4) . . ?
B01H C00I B01C 62.2(3) . . ?
B01H C00I B01D 112.4(4) . . ?
C007 C00J H00J 120.8 . . ?
C00B C00J C007 118.4(5) . . ?
C00B C00J H00J 120.8 . . ?
C00O C00K C00S 120.8(5) . . ?
C00O C00K B01H 119.9(5) . . ?
C00S C00K B01H 119.3(5) . . ?
C00I C00L H00L 119.8 . . ?
C00I C00L B012 114.0(4) . . ?
C00I C00L B015 111.5(4) . . ?
C00I C00L B01D 63.9(3) . . ?
C00I C00L B01H 60.0(3) . . ?
B012 C00L H00L 117.2 . . ?
B012 C00L B01H 114.6(4) . . ?
B015 C00L H00L 118.2 . . ?
B015 C00L B012 63.4(3) . . ?
B015 C00L B01H 62.1(3) . . ?
B01D C00L H00L 115.9 . . ?
B01D C00L B012 63.3(3) . . ?
B01D C00L B015 116.1(4) . . ?
B01D C00L B01H 114.9(4) . . ?
B01H C00L H00L 118.8 . . ?
C00R C00M H00M 117.4 . . ?
C00R C00M C00S 125.2(5) . . ?
C00S C00M H00M 117.4 . . ?
C009 C00N C00Q 113.3(4) . . ?
C00H C00N C009 119.6(5) . . ?
C00H C00N C00Q 127.1(5) . . ?
C00K C00O H00O 118.3 . . ?
C00K C00O C00Y 123.3(5) . . ?
C00Y C00O H00O 118.3 . . ?
C00C C00P H00P 119.6 . . ?
C00G C00P C00C 120.8(5) . . ?
C00G C00P H00P 119.6 . . ?
C00N C00Q H00Q 118.9 . . ?
C00Z C00Q C00N 122.2(5) . . ?
C00Z C00Q H00Q 118.9 . . ?
C00M C00R H00R 120.9 . . ?
C00M C00R C00Y 118.3(5) . . ?
C00Y C00R H00R 120.9 . . ?
C00K C00S C005 122.6(5) . . ?
C00K C00S C00M 115.4(5) . . ?
C00M C00S C005 122.0(5) . . ?
C003 C00T H00T 119.9 . . ?
C003 C00T B017 62.8(3) . . ?
C003 C00T B01B 61.3(3) . . ?
C003 C00T B01G 111.4(4) . . ?
C003 C00T B01K 111.5(4) . . ?
B017 C00T H00T 118.1 . . ?
B017 C00T B01B 114.3(4) . . ?
B017 C00T B01G 112.7(4) . . ?
B017 C00T B01K 61.2(3) . . ?
B01B C00T H00T 118.0 . . ?
B01B C00T B01K 113.2(4) . . ?
B01G C00T H00T 119.3 . . ?
B01G C00T B01B 62.4(3) . . ?
B01G C00T B01K 61.7(3) . . ?
B01K C00T H00T 119.6 . . ?
C00E C00U C00G 119.2(5) . . ?
C00E C00U H00U 120.4 . . ?
C00G C00U H00U 120.4 . . ?
C009 C00V H00V 118.5 . . ?
C010 C00V C009 123.0(5) . . ?
C010 C00V H00V 118.5 . . ?
C005 C00W H00W 119.6 . . ?
C00X C00W C005 120.7(5) . . ?
C00X C00W H00W 119.6 . . ?
C009 C00X H00X 119.5 . . ?
C00W C00X C009 120.9(5) . . ?
C00W C00X H00X 119.5 . . ?
C00O C00Y C00R 116.9(5) . . ?
C00O C00Y H00Y 121.5 . . ?
C00R C00Y H00Y 121.5 . . ?
C00Q C00Z H00Z 118.8 . . ?
C00Q C00Z C010 122.5(6) . . ?
C010 C00Z H00Z 118.8 . . ?
C00V C010 C00Z 117.8(6) . . ?
C00V C010 H010 121.1 . . ?
C00Z C010 H010 121.1 . . ?
C003 B H 122.6 . . ?
C003 B B016 60.2(3) . . ?
C003 B B019 108.5(4) . . ?
C003 B B01B 59.8(3) . . ?
C003 B B01E 107.5(4) . . ?
B016 B H 119.8 . . ?
B016 B B019 61.4(3) . . ?
B016 B B01B 110.0(4) . . ?
B016 B B01E 110.9(4) . . ?
B019 B H 120.3 . . ?
B019 B B01B 109.9(4) . . ?
B019 B B01E 61.6(3) . . ?
B01B B H 121.0 . . ?
B01E B H 120.9 . . ?
B01E B B01B 59.9(3) . . ?
C00L B012 H012 125.7 . . ?
C00L B012 B015 57.9(3) . . ?
C00L B012 B01A 104.1(4) . . ?
C00L B012 B01D 57.9(3) . . ?
C00L B012 B01F 104.5(4) . . ?
B015 B012 H012 121.9 . . ?
B01A B012 H012 121.8 . . ?
B01A B012 B015 59.9(3) . . ?
B01A B012 B01D 108.8(4) . . ?
B01D B012 H012 121.7 . . ?
B01D B012 B015 107.1(4) . . ?
B01F B012 H012 121.5 . . ?
B01F B012 B015 108.7(4) . . ?
B01F B012 B01A 61.2(3) . . ?
B01F B012 B01D 60.3(3) . . ?
C00I B013 H013 124.1 . . ?
C00I B013 B014 105.0(4) . . ?
C00I B013 B01C 58.2(3) . . ?
C00I B013 B01D 59.9(3) . . ?
C00I B013 B01F 106.0(4) . . ?
B014 B013 H013 122.2 . . ?
B014 B013 B01C 59.8(3) . . ?
B014 B013 B01D 108.2(4) . . ?
B014 B013 B01F 60.9(3) . . ?
B01C B013 H013 121.8 . . ?
B01C B013 B01D 108.0(4) . . ?
B01C B013 B01F 108.5(4) . . ?
B01D B013 H013 121.4 . . ?
B01F B013 H013 121.7 . . ?
B01F B013 B01D 59.6(3) . . ?
B013 B014 H014 121.5 . . ?
B013 B014 B01A 108.2(4) . . ?
B013 B014 B01F 60.2(3) . . ?
B013 B014 B01J 107.9(4) . . ?
B01A B014 H014 121.9 . . ?
B01A B014 B01F 60.3(3) . . ?
B01C B014 B013 60.2(3) . . ?
B01C B014 H014 121.8 . . ?
B01C B014 B01A 107.6(4) . . ?
B01C B014 B01F 108.3(4) . . ?
B01C B014 B01J 59.7(3) . . ?
B01F B014 H014 121.4 . . ?
B01J B014 H014 122.1 . . ?
B01J B014 B01A 59.6(3) . . ?
B01J B014 B01F 107.9(4) . . ?
C00L B015 B012 58.7(3) . . ?
C00L B015 H015 124.2 . . ?
C00L B015 B01A 104.7(4) . . ?
C00L B015 B01H 60.4(3) . . ?
C00L B015 B01J 105.0(4) . . ?
B012 B015 H015 121.2 . . ?
B012 B015 B01J 107.8(4) . . ?
B01A B015 B012 59.9(3) . . ?
B01A B015 H015 122.7 . . ?
B01A B015 B01J 59.9(3) . . ?
B01H B015 B012 109.3(4) . . ?
B01H B015 H015 120.9 . . ?
B01H B015 B01A 107.7(4) . . ?
B01H B015 B01J 59.1(3) . . ?
B01J B015 H015 122.9 . . ?
C003 B016 B 58.8(3) . . ?
C003 B016 H016 123.1 . . ?
C003 B016 B017 60.0(3) . . ?
C003 B016 B018 106.2(4) . . ?
C003 B016 B019 105.9(4) . . ?
B B016 H016 122.2 . . ?
B B016 B017 107.3(4) . . ?
B B016 B018 107.3(4) . . ?
B B016 B019 59.5(3) . . ?
B017 B016 H016 122.1 . . ?
B018 B016 H016 122.4 . . ?
B018 B016 B017 58.9(3) . . ?
B018 B016 B019 60.1(3) . . ?
B019 B016 H016 122.5 . . ?
B019 B016 B017 107.0(4) . . ?
C003 B017 B016 58.0(3) . . ?
C003 B017 H017 124.2 . . ?
C00T B017 C003 57.6(3) . . ?
C00T B017 B016 104.5(4) . . ?
C00T B017 H017 123.7 . . ?
C00T B017 B018 106.6(4) . . ?
C00T B017 B01K 59.8(3) . . ?
B016 B017 H017 122.8 . . ?
B018 B017 C003 105.4(4) . . ?
B018 B017 B016 59.8(3) . . ?
B018 B017 H017 122.0 . . ?
B01K B017 C003 106.2(4) . . ?
B01K B017 B016 108.4(4) . . ?
B01K B017 H017 121.0 . . ?
B01K B017 B018 61.1(3) . . ?
B016 B018 H018 121.1 . . ?
B016 B018 B019 60.2(3) . . ?
B016 B018 B01I 107.9(4) . . ?
B016 B018 B01K 108.1(4) . . ?
B017 B018 B016 61.3(3) . . ?
B017 B018 H018 121.4 . . ?
B017 B018 B019 108.9(4) . . ?
B017 B018 B01I 107.1(4) . . ?
B017 B018 B01K 59.3(3) . . ?
B019 B018 H018 121.5 . . ?
B019 B018 B01I 59.8(3) . . ?
B019 B018 B01K 107.4(4) . . ?
B01I B018 H018 122.5 . . ?
B01K B018 H018 122.5 . . ?
B01K B018 B01I 59.1(3) . . ?
B B019 B016 59.1(3) . . ?
B B019 B018 106.7(4) . . ?
B B019 H019 123.0 . . ?
B B019 B01E 59.4(3) . . ?
B B019 B01I 107.1(4) . . ?
B016 B019 H019 122.1 . . ?
B016 B019 B01E 107.3(4) . . ?
B016 B019 B01I 108.2(4) . . ?
B018 B019 B016 59.7(3) . . ?
B018 B019 H019 121.7 . . ?
B018 B019 B01E 108.2(4) . . ?
B018 B019 B01I 60.8(3) . . ?
B01E B019 H019 121.8 . . ?
B01I B019 H019 121.4 . . ?
B01I B019 B01E 60.0(3) . . ?
B012 B01A B014 107.6(4) . . ?
B012 B01A B015 60.3(3) . . ?
B012 B01A H01A 121.7 . . ?
B012 B01A B01F 59.2(3) . . ?
B012 B01A B01J 108.5(4) . . ?
B014 B01A H01A 122.0 . . ?
B014 B01A B01F 60.1(3) . . ?
B015 B01A B014 107.7(4) . . ?
B015 B01A H01A 121.8 . . ?
B015 B01A B01F 107.4(4) . . ?
B015 B01A B01J 60.3(3) . . ?
B01F B01A H01A 122.2 . . ?
B01J B01A B014 59.8(3) . . ?
B01J B01A H01A 121.4 . . ?
B01J B01A B01F 107.9(4) . . ?
C003 B01B B 58.3(3) . . ?
C003 B01B B01E 106.1(4) . . ?
C003 B01B B01G 105.7(4) . . ?
C004 B01B C003 117.2(4) . . ?
C004 B01B C00T 119.1(4) . . ?
C004 B01B B 124.3(5) . . ?
C004 B01B B01E 129.2(5) . . ?
C004 B01B B01G 125.0(5) . . ?
C00T B01B C003 58.0(3) . . ?
C00T B01B B 103.8(4) . . ?
C00T B01B B01E 105.5(4) . . ?
C00T B01B B01G 58.6(3) . . ?
B B01B B01G 106.7(4) . . ?
B01E B01B B 59.7(3) . . ?
B01E B01B B01G 60.3(3) . . ?
C00I B01C B013 60.4(3) . . ?
C00I B01C B014 106.9(4) . . ?
C00I B01C H01C 123.4 . . ?
C00I B01C B01H 58.6(3) . . ?
C00I B01C B01J 105.6(4) . . ?
B013 B01C H01C 120.9 . . ?
B014 B01C B013 60.0(3) . . ?
B014 B01C H01C 121.5 . . ?
B014 B01C B01H 108.4(4) . . ?
B01H B01C B013 108.5(4) . . ?
B01H B01C H01C 121.8 . . ?
B01J B01C B013 108.4(4) . . ?
B01J B01C B014 60.6(3) . . ?
B01J B01C H01C 122.3 . . ?
B01J B01C B01H 59.6(3) . . ?
C00I B01D B012 105.3(4) . . ?
C00I B01D B013 58.7(3) . . ?
C00I B01D H01D 123.9 . . ?
C00I B01D B01F 105.3(4) . . ?
C00L B01D C00I 57.4(3) . . ?
C00L B01D B012 58.7(3) . . ?
C00L B01D B013 104.2(4) . . ?
C00L B01D H01D 124.7 . . ?
C00L B01D B01F 104.5(4) . . ?
B012 B01D B013 107.2(4) . . ?
B012 B01D H01D 122.3 . . ?
B012 B01D B01F 59.5(3) . . ?
B013 B01D H01D 122.6 . . ?
B01F B01D B013 59.9(3) . . ?
B01F B01D H01D 123.0 . . ?
B B01E B019 59.0(3) . . ?
B B01E B01B 60.4(3) . . ?
B B01E H01E 122.6 . . ?
B B01E B01G 107.3(4) . . ?
B B01E B01I 106.7(4) . . ?
B019 B01E H01E 122.1 . . ?
B01B B01E B019 108.2(4) . . ?
B01B B01E H01E 121.0 . . ?
B01B B01E B01G 60.3(3) . . ?
B01B B01E B01I 108.2(4) . . ?
B01G B01E B019 107.3(4) . . ?
B01G B01E H01E 122.2 . . ?
B01G B01E B01I 59.4(4) . . ?
B01I B01E B019 59.9(3) . . ?
B01I B01E H01E 122.2 . . ?
B012 B01F B013 108.2(4) . . ?
B012 B01F B014 107.5(4) . . ?
B012 B01F B01A 59.5(3) . . ?
B012 B01F B01D 60.1(3) . . ?
B012 B01F H01F 121.7 . . ?
B013 B01F B014 59.0(3) . . ?
B013 B01F B01A 106.7(4) . . ?
B013 B01F H01F 122.0 . . ?
B014 B01F B01A 59.6(3) . . ?
B014 B01F H01F 122.4 . . ?
B01A B01F H01F 122.6 . . ?
B01D B01F B013 60.5(3) . . ?
B01D B01F B014 107.5(4) . . ?
B01D B01F B01A 107.2(4) . . ?
B01D B01F H01F 121.7 . . ?
C00T B01G B01B 59.0(3) . . ?
C00T B01G B01E 105.1(4) . . ?
C00T B01G H01G 124.0 . . ?
C00T B01G B01I 106.1(4) . . ?
C00T B01G B01K 59.5(3) . . ?
B01B B01G H01G 121.5 . . ?
B01E B01G B01B 59.4(3) . . ?
B01E B01G H01G 122.3 . . ?
B01I B01G B01B 108.5(4) . . ?
B01I B01G B01E 60.7(4) . . ?
B01I B01G H01G 121.7 . . ?
B01K B01G B01B 108.6(4) . . ?
B01K B01G B01E 108.5(4) . . ?
B01K B01G H01G 121.0 . . ?
B01K B01G B01I 60.1(4) . . ?
C00I B01H C00L 57.9(3) . . ?
C00I B01H B015 105.9(4) . . ?
C00I B01H B01C 59.2(3) . . ?
C00I B01H B01J 106.5(4) . . ?
C00K B01H C00I 118.4(4) . . ?
C00K B01H C00L 120.2(4) . . ?
C00K B01H B015 122.8(5) . . ?
C00K B01H B01C 124.3(4) . . ?
C00K B01H B01J 128.4(5) . . ?
C00L B01H B015 57.5(3) . . ?
C00L B01H B01C 104.2(4) . . ?
C00L B01H B01J 104.2(4) . . ?
B01C B01H B015 108.5(4) . . ?
B01J B01H B015 60.9(3) . . ?
B01J B01H B01C 60.2(3) . . ?
B018 B01I H01I 122.4 . . ?
B019 B01I B018 59.4(3) . . ?
B019 B01I B01E 60.1(4) . . ?
B019 B01I H01I 121.9 . . ?
B01E B01I B018 107.2(4) . . ?
B01E B01I H01I 121.9 . . ?
B01G B01I B018 107.3(4) . . ?
B01G B01I B019 107.8(4) . . ?
B01G B01I B01E 59.9(3) . . ?
B01G B01I H01I 121.9 . . ?
B01G B01I B01K 59.8(3) . . ?
B01K B01I B018 59.7(3) . . ?
B01K B01I B019 107.5(4) . . ?
B01K B01I B01E 107.6(4) . . ?
B01K B01I H01I 122.0 . . ?
B014 B01J B015 108.0(4) . . ?
B014 B01J H01J 121.6 . . ?
B015 B01J H01J 121.9 . . ?
B01A B01J B014 60.6(3) . . ?
B01A B01J B015 59.8(3) . . ?
B01A B01J H01J 121.3 . . ?
B01C B01J B014 59.8(3) . . ?
B01C B01J B015 107.9(4) . . ?
B01C B01J B01A 108.5(4) . . ?
B01C B01J H01J 121.7 . . ?
B01H B01J B014 108.3(4) . . ?
B01H B01J B015 60.0(3) . . ?
B01H B01J B01A 108.5(4) . . ?
B01H B01J B01C 60.3(3) . . ?
B01H B01J H01J 121.4 . . ?
C00T B01K B017 59.0(3) . . ?
C00T B01K B018 104.9(4) . . ?
C00T B01K B01G 58.7(3) . . ?
C00T B01K B01I 105.4(4) . . ?
C00T B01K H01K 124.6 . . ?
B017 B01K B018 59.6(3) . . ?
B017 B01K B01G 108.3(4) . . ?
B017 B01K B01I 109.0(4) . . ?
B017 B01K H01K 121.3 . . ?
B018 B01K H01K 122.1 . . ?
B01G B01K B018 108.6(4) . . ?
B01G B01K B01I 60.1(4) . . ?
B01G B01K H01K 121.4 . . ?
B01I B01K B018 61.1(3) . . ?
B01I B01K H01K 121.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C001 C002 C006 C003 172.0(4) . . . . ?
C001 C002 C006 C00F -3.6(6) . . . . ?
C001 C002 C00D C007 1.8(7) . . . . ?
C001 C008 C00A C00F -0.9(7) . . . . ?
C001 C00B C00J C007 2.0(7) . . . . ?
C002 C001 C008 C00A 6.1(7) . . . . ?
C002 C001 C00B C00J -0.5(7) . . . . ?
C002 C006 C00F C00A 8.5(6) . . . . ?
C002 C006 C00F C00C -171.7(4) . . . . ?
C003 C006 C00F C00A -167.3(4) . . . . ?
C003 C006 C00F C00C 12.6(7) . . . . ?
C003 C00T B017 B016 -35.6(3) . . . . ?
C003 C00T B017 B018 -98.0(4) . . . . ?
C003 C00T B017 B01K -138.7(4) . . . . ?
C003 C00T B01B C004 -105.6(5) . . . . ?
C003 C00T B01B B 37.7(3) . . . . ?
C003 C00T B01B B01E 99.6(4) . . . . ?
C003 C00T B01B B01G 139.0(4) . . . . ?
C003 C00T B01G B01B -38.2(4) . . . . ?
C003 C00T B01G B01E 0.8(5) . . . . ?
C003 C00T B01G B01I 64.0(5) . . . . ?
C003 C00T B01G B01K 103.6(4) . . . . ?
C003 C00T B01K B017 39.1(4) . . . . ?
C003 C00T B01K B018 -0.5(5) . . . . ?
C003 C00T B01K B01G -103.5(4) . . . . ?
C003 C00T B01K B01I -64.1(5) . . . . ?
C003 B B016 B017 36.9(3) . . . . ?
C003 B B016 B018 98.9(4) . . . . ?
C003 B B016 B019 136.7(4) . . . . ?
C003 B B019 B016 -38.8(4) . . . . ?
C003 B B019 B018 -1.3(5) . . . . ?
C003 B B019 B01E 100.4(4) . . . . ?
C003 B B019 B01I 62.5(5) . . . . ?
C003 B B01B C004 103.2(5) . . . . ?
C003 B B01B C00T -37.6(3) . . . . ?
C003 B B01B B01E -137.7(4) . . . . ?
C003 B B01B B01G -98.5(4) . . . . ?
C003 B B01E B019 -101.9(4) . . . . ?
C003 B B01E B01B 37.6(4) . . . . ?
C003 B B01E B01G -1.8(5) . . . . ?
C003 B B01E B01I -64.2(5) . . . . ?
C003 B016 B017 C00T 35.4(3) . . . . ?
C003 B016 B017 B018 136.5(4) . . . . ?
C003 B016 B017 B01K 98.0(4) . . . . ?
C003 B016 B018 B017 -38.4(4) . . . . ?
C003 B016 B018 B019 99.3(4) . . . . ?
C003 B016 B018 B01I 61.7(5) . . . . ?
C003 B016 B018 B01K -0.8(5) . . . . ?
C003 B016 B019 B 37.6(4) . . . . ?
C003 B016 B019 B018 -99.9(4) . . . . ?
C003 B016 B019 B01E 1.5(5) . . . . ?
C003 B016 B019 B01I -61.8(5) . . . . ?
C003 B017 B018 B016 37.3(4) . . . . ?
C003 B017 B018 B019 -0.8(5) . . . . ?
C003 B017 B018 B01I -64.1(5) . . . . ?
C003 B017 B018 B01K -100.3(4) . . . . ?
C003 B017 B01K C00T -35.4(4) . . . . ?
C003 B017 B01K B018 99.0(4) . . . . ?
C003 B017 B01K B01G -2.3(5) . . . . ?
C003 B017 B01K B01I 61.5(5) . . . . ?
C003 B01B B01E B -36.6(4) . . . . ?
C003 B01B B01E B019 -0.7(5) . . . . ?
C003 B01B B01E B01G 99.2(4) . . . . ?
C003 B01B B01E B01I 62.6(5) . . . . ?
C003 B01B B01G C00T 35.3(4) . . . . ?
C003 B01B B01G B01E -99.9(4) . . . . ?
C003 B01B B01G B01I -62.7(5) . . . . ?
C003 B01B B01G B01K 1.1(5) . . . . ?
C004 C00C C00F C006 -13.7(7) . . . . ?
C004 C00C C00F C00A 166.1(4) . . . . ?
C004 C00C C00P C00G -2.4(7) . . . . ?
C004 C00E C00U C00G -1.1(8) . . . . ?
C004 B01B B01E B 111.5(6) . . . . ?
C004 B01B B01E B019 147.3(5) . . . . ?
C004 B01B B01E B01G -112.8(6) . . . . ?
C004 B01B B01E B01I -149.3(5) . . . . ?
C004 B01B B01G C00T -105.6(6) . . . . ?
C004 B01B B01G B01E 119.2(6) . . . . ?
C004 B01B B01G B01I 156.4(5) . . . . ?
C004 B01B B01G B01K -139.8(5) . . . . ?
C005 C00H C00I C00L 70.5(6) . . . . ?
C005 C00H C00I B013 -147.8(5) . . . . ?
C005 C00H C00I B01C -70.5(6) . . . . ?
C005 C00H C00I B01D 137.6(5) . . . . ?
C005 C00H C00I B01H 1.0(6) . . . . ?
C005 C00H C00N C009 -0.7(7) . . . . ?
C005 C00H C00N C00Q -179.2(5) . . . . ?
C005 C00W C00X C009 -0.2(8) . . . . ?
C006 C002 C00D C007 -177.1(5) . . . . ?
C006 C003 C00T B017 -113.2(5) . . . . ?
C006 C003 C00T B01B 102.8(5) . . . . ?
C006 C003 C00T B01G 141.5(4) . . . . ?
C006 C003 C00T B01K -151.6(4) . . . . ?
C006 C003 B B016 113.1(5) . . . . ?
C006 C003 B B019 152.5(4) . . . . ?
C006 C003 B B01B -104.7(5) . . . . ?
C006 C003 B B01E -142.4(4) . . . . ?
C006 C003 B016 B -107.4(5) . . . . ?
C006 C003 B016 B017 114.0(5) . . . . ?
C006 C003 B016 B018 151.9(4) . . . . ?
C006 C003 B016 B019 -145.2(4) . . . . ?
C006 C003 B017 C00T 109.8(5) . . . . ?
C006 C003 B017 B016 -111.8(5) . . . . ?
C006 C003 B017 B018 -150.0(4) . . . . ?
C006 C003 B017 B01K 146.3(4) . . . . ?
C006 C003 B01B C004 -4.7(6) . . . . ?
C006 C003 B01B C00T -113.7(4) . . . . ?
C006 C003 B01B B 110.6(4) . . . . ?
C006 C003 B01B B01E 147.8(4) . . . . ?
C006 C003 B01B B01G -149.2(4) . . . . ?
C008 C001 C002 C006 -3.8(7) . . . . ?
C008 C001 C002 C00D 177.1(4) . . . . ?
C008 C001 C00B C00J -179.1(5) . . . . ?
C008 C00A C00F C006 -6.4(7) . . . . ?
C008 C00A C00F C00C 173.7(4) . . . . ?
C009 C00N C00Q C00Z -3.4(7) . . . . ?
C009 C00V C010 C00Z -2.0(8) . . . . ?
C00B C001 C002 C006 177.7(4) . . . . ?
C00B C001 C002 C00D -1.4(6) . . . . ?
C00B C001 C008 C00A -175.3(4) . . . . ?
C00C C004 C00E C00U -1.5(7) . . . . ?
C00C C004 B01B C003 4.2(7) . . . . ?
C00C C004 B01B C00T 70.9(6) . . . . ?
C00C C004 B01B B -64.4(7) . . . . ?
C00C C004 B01B B01E -141.0(5) . . . . ?
C00C C004 B01B B01G 141.1(5) . . . . ?
C00D C002 C006 C003 -9.0(7) . . . . ?
C00D C002 C006 C00F 175.3(4) . . . . ?
C00D C007 C00J C00B -1.6(7) . . . . ?
C00E C004 C00C C00F -178.1(4) . . . . ?
C00E C004 C00C C00P 3.2(7) . . . . ?
C00E C004 B01B C003 -173.6(4) . . . . ?
C00E C004 B01B C00T -106.9(5) . . . . ?
C00E C004 B01B B 117.8(5) . . . . ?
C00E C004 B01B B01E 41.2(8) . . . . ?
C00E C004 B01B B01G -36.6(7) . . . . ?
C00F C00C C00P C00G 178.8(4) . . . . ?
C00H C005 C00S C00K 0.8(8) . . . . ?
C00H C005 C00S C00M -179.0(5) . . . . ?
C00H C005 C00W C00X 3.7(8) . . . . ?
C00H C00I C00L B012 149.7(4) . . . . ?
C00H C00I C00L B015 -140.8(4) . . . . ?
C00H C00I C00L B01D 109.7(5) . . . . ?
C00H C00I C00L B01H -104.7(5) . . . . ?
C00H C00I B013 B014 150.9(5) . . . . ?
C00H C00I B013 B01C 112.2(5) . . . . ?
C00H C00I B013 B01D -106.5(5) . . . . ?
C00H C00I B013 B01F -145.7(5) . . . . ?
C00H C00I B01C B013 -117.4(5) . . . . ?
C00H C00I B01C B014 -156.7(5) . . . . ?
C00H C00I B01C B01H 101.7(5) . . . . ?
C00H C00I B01C B01J 139.9(5) . . . . ?
C00H C00I B01D C00L -104.5(5) . . . . ?
C00H C00I B01D B012 -140.2(4) . . . . ?
C00H C00I B01D B013 118.7(5) . . . . ?
C00H C00I B01D B01F 157.9(4) . . . . ?
C00H C00I B01H C00K -1.6(6) . . . . ?
C00H C00I B01H C00L 108.1(4) . . . . ?
C00H C00I B01H B015 141.0(4) . . . . ?
C00H C00I B01H B01C -116.6(4) . . . . ?
C00H C00I B01H B01J -155.3(4) . . . . ?
C00H C00N C00Q C00Z 175.3(5) . . . . ?
C00I C00H C00N C009 176.6(4) . . . . ?
C00I C00H C00N C00Q -1.9(7) . . . . ?
C00I C00L B012 B015 103.1(4) . . . . ?
C00I C00L B012 B01A 63.3(5) . . . . ?
C00I C00L B012 B01D -40.3(4) . . . . ?
C00I C00L B012 B01F -0.2(5) . . . . ?
C00I C00L B015 B012 -107.0(4) . . . . ?
C00I C00L B015 B01A -67.1(5) . . . . ?
C00I C00L B015 B01H 35.2(4) . . . . ?
C00I C00L B015 B01J -4.9(5) . . . . ?
C00I C00L B01D B012 138.9(4) . . . . ?
C00I C00L B01D B013 37.1(4) . . . . ?
C00I C00L B01D B01F 99.2(4) . . . . ?
C00I C00L B01H C00K 106.5(5) . . . . ?
C00I C00L B01H B015 -141.7(4) . . . . ?
C00I C00L B01H B01C -38.5(4) . . . . ?
C00I C00L B01H B01J -100.8(4) . . . . ?
C00I B013 B014 B01A 62.4(5) . . . . ?
C00I B013 B014 B01C -38.0(4) . . . . ?
C00I B013 B014 B01F 100.2(4) . . . . ?
C00I B013 B014 B01J -0.7(5) . . . . ?
C00I B013 B01C B014 135.6(4) . . . . ?
C00I B013 B01C B01H 34.6(4) . . . . ?
C00I B013 B01C B01J 97.8(4) . . . . ?
C00I B013 B01D C00L -36.5(3) . . . . ?
C00I B013 B01D B012 -97.7(4) . . . . ?
C00I B013 B01D B01F -135.2(4) . . . . ?
C00I B013 B01F B012 1.3(5) . . . . ?
C00I B013 B01F B014 -98.6(4) . . . . ?
C00I B013 B01F B01A -61.4(5) . . . . ?
C00I B013 B01F B01D 39.3(4) . . . . ?
C00I B01C B01H C00K -105.3(6) . . . . ?
C00I B01C B01H C00L 37.9(3) . . . . ?
C00I B01C B01H B015 97.9(4) . . . . ?
C00I B01C B01H B01J 136.3(4) . . . . ?
C00I B01C B01J B014 100.9(4) . . . . ?
C00I B01C B01J B015 0.1(5) . . . . ?
C00I B01C B01J B01A 63.4(5) . . . . ?
C00I B01C B01J B01H -37.8(4) . . . . ?
C00I B01D B01F B012 98.9(4) . . . . ?
C00I B01D B01F B013 -38.6(4) . . . . ?
C00I B01D B01F B014 -1.6(5) . . . . ?
C00I B01D B01F B01A 61.2(5) . . . . ?
C00I B01H B01J B014 1.3(5) . . . . ?
C00I B01H B01J B015 -99.4(4) . . . . ?
C00I B01H B01J B01A -63.0(5) . . . . ?
C00I B01H B01J B01C 38.2(4) . . . . ?
C00J C007 C00D C002 -0.4(7) . . . . ?
C00K C00O C00Y C00R -1.0(8) . . . . ?
C00K B01H B01J B014 -148.9(5) . . . . ?
C00K B01H B01J B015 110.4(6) . . . . ?
C00K B01H B01J B01A 146.9(5) . . . . ?
C00K B01H B01J B01C -112.0(6) . . . . ?
C00L C00I B013 B014 -64.8(5) . . . . ?
C00L C00I B013 B01C -103.5(4) . . . . ?
C00L C00I B013 B01D 37.8(4) . . . . ?
C00L C00I B013 B01F -1.4(5) . . . . ?
C00L C00I B01C B013 99.5(4) . . . . ?
C00L C00I B01C B014 60.2(5) . . . . ?
C00L C00I B01C B01H -41.4(4) . . . . ?
C00L C00I B01C B01J -3.2(5) . . . . ?
C00L C00I B01D B012 -35.6(3) . . . . ?
C00L C00I B01D B013 -136.8(4) . . . . ?
C00L C00I B01D B01F -97.6(4) . . . . ?
C00L C00I B01H C00K -109.6(5) . . . . ?
C00L C00I B01H B015 32.9(4) . . . . ?
C00L C00I B01H B01C 135.3(4) . . . . ?
C00L C00I B01H B01J 96.6(4) . . . . ?
C00L B012 B015 B01A -134.1(4) . . . . ?
C00L B012 B015 B01H -34.3(4) . . . . ?
C00L B012 B015 B01J -97.0(4) . . . . ?
C00L B012 B01A B014 -61.9(5) . . . . ?
C00L B012 B01A B015 38.8(4) . . . . ?
C00L B012 B01A B01F -99.0(4) . . . . ?
C00L B012 B01A B01J 1.3(5) . . . . ?
C00L B012 B01D C00I 35.1(3) . . . . ?
C00L B012 B01D B013 96.4(4) . . . . ?
C00L B012 B01D B01F 134.1(4) . . . . ?
C00L B012 B01F B013 -0.7(5) . . . . ?
C00L B012 B01F B014 61.5(5) . . . . ?
C00L B012 B01F B01A 98.4(4) . . . . ?
C00L B012 B01F B01D -38.9(4) . . . . ?
C00L B015 B01A B012 -39.3(4) . . . . ?
C00L B015 B01A B014 61.2(5) . . . . ?
C00L B015 B01A B01F -2.1(5) . . . . ?
C00L B015 B01A B01J 99.0(4) . . . . ?
C00L B015 B01H C00I -33.1(4) . . . . ?
C00L B015 B01H C00K 107.5(5) . . . . ?
C00L B015 B01H B01C -95.3(4) . . . . ?
C00L B015 B01H B01J -133.4(4) . . . . ?
C00L B015 B01J B014 -60.3(5) . . . . ?
C00L B015 B01J B01A -98.5(4) . . . . ?
C00L B015 B01J B01C 2.8(5) . . . . ?
C00L B015 B01J B01H 40.8(4) . . . . ?
C00L B01D B01F B012 39.3(4) . . . . ?
C00L B01D B01F B013 -98.2(4) . . . . ?
C00L B01D B01F B014 -61.2(5) . . . . ?
C00L B01D B01F B01A 1.6(5) . . . . ?
C00L B01H B01J B014 61.5(5) . . . . ?
C00L B01H B01J B015 -39.2(4) . . . . ?
C00L B01H B01J B01A -2.8(5) . . . . ?
C00L B01H B01J B01C 98.4(4) . . . . ?
C00M C00R C00Y C00O -0.9(8) . . . . ?
C00N C009 C00V C010 -0.6(8) . . . . ?
C00N C009 C00X C00W -3.5(7) . . . . ?
C00N C00H C00I C00L -106.7(5) . . . . ?
C00N C00H C00I B013 34.9(7) . . . . ?
C00N C00H C00I B01C 112.3(6) . . . . ?
C00N C00H C00I B01D -39.6(6) . . . . ?
C00N C00H C00I B01H -176.2(4) . . . . ?
C00N C00Q C00Z C010 1.0(9) . . . . ?
C00O C00K C00S C005 176.4(5) . . . . ?
C00O C00K C00S C00M -3.8(7) . . . . ?
C00O C00K B01H C00I -176.0(4) . . . . ?
C00O C00K B01H C00L 116.6(5) . . . . ?
C00O C00K B01H B015 48.0(7) . . . . ?
C00O C00K B01H B01C -105.6(6) . . . . ?
C00O C00K B01H B01J -28.8(8) . . . . ?
C00P C00C C00F C006 165.0(5) . . . . ?
C00P C00C C00F C00A -15.2(6) . . . . ?
C00P C00G C00U C00E 1.9(8) . . . . ?
C00Q C00Z C010 C00V 1.8(9) . . . . ?
C00R C00M C00S C005 -178.2(5) . . . . ?
C00R C00M C00S C00K 1.9(8) . . . . ?
C00S C005 C00H C00I -0.7(7) . . . . ?
C00S C005 C00H C00N 176.6(4) . . . . ?
C00S C005 C00W C00X -176.1(5) . . . . ?
C00S C00K C00O C00Y 3.5(8) . . . . ?
C00S C00K B01H C00I 1.8(7) . . . . ?
C00S C00K B01H C00L -65.5(7) . . . . ?
C00S C00K B01H B015 -134.2(5) . . . . ?
C00S C00K B01H B01C 72.2(7) . . . . ?
C00S C00K B01H B01J 149.0(5) . . . . ?
C00S C00M C00R C00Y 0.4(8) . . . . ?
C00T C003 C006 C002 111.6(5) . . . . ?
C00T C003 C006 C00F -72.8(6) . . . . ?
C00T C003 B B016 -102.2(4) . . . . ?
C00T C003 B B019 -62.9(5) . . . . ?
C00T C003 B B01B 39.9(4) . . . . ?
C00T C003 B B01E 2.3(5) . . . . ?
C00T C003 B016 B 101.1(4) . . . . ?
C00T C003 B016 B017 -37.4(4) . . . . ?
C00T C003 B016 B018 0.4(5) . . . . ?
C00T C003 B016 B019 63.3(5) . . . . ?
C00T C003 B017 B016 138.3(4) . . . . ?
C00T C003 B017 B018 100.2(4) . . . . ?
C00T C003 B017 B01K 36.4(4) . . . . ?
C00T C003 B01B C004 108.9(5) . . . . ?
C00T C003 B01B B -135.7(4) . . . . ?
C00T C003 B01B B01E -98.5(4) . . . . ?
C00T C003 B01B B01G -35.5(4) . . . . ?
C00T B017 B018 B016 97.4(4) . . . . ?
C00T B017 B018 B019 59.3(5) . . . . ?
C00T B017 B018 B01I -4.0(5) . . . . ?
C00T B017 B018 B01K -40.1(4) . . . . ?
C00T B017 B01K B018 134.4(4) . . . . ?
C00T B017 B01K B01G 33.1(4) . . . . ?
C00T B017 B01K B01I 96.9(5) . . . . ?
C00T B01B B01E B -97.1(4) . . . . ?
C00T B01B B01E B019 -61.3(5) . . . . ?
C00T B01B B01E B01G 38.6(4) . . . . ?
C00T B01B B01E B01I 2.1(5) . . . . ?
C00T B01B B01G B01E -135.2(4) . . . . ?
C00T B01B B01G B01I -98.0(5) . . . . ?
C00T B01B B01G B01K -34.2(4) . . . . ?
C00T B01G B01I B018 1.6(6) . . . . ?
C00T B01G B01I B019 -60.9(5) . . . . ?
C00T B01G B01I B01E -98.6(4) . . . . ?
C00T B01G B01I B01K 39.3(4) . . . . ?
C00T B01G B01K B017 -33.2(4) . . . . ?
C00T B01G B01K B018 -96.5(4) . . . . ?
C00T B01G B01K B01I -135.1(4) . . . . ?
C00U C00G C00P C00C -0.1(8) . . . . ?
C00V C009 C00N C00H -175.6(5) . . . . ?
C00V C009 C00N C00Q 3.2(7) . . . . ?
C00V C009 C00X C00W 176.0(5) . . . . ?
C00W C005 C00H C00I 179.6(4) . . . . ?
C00W C005 C00H C00N -3.1(7) . . . . ?
C00W C005 C00S C00K -179.4(5) . . . . ?
C00W C005 C00S C00M 0.8(7) . . . . ?
C00X C009 C00N C00H 4.0(7) . . . . ?
C00X C009 C00N C00Q -177.3(4) . . . . ?
C00X C009 C00V C010 179.8(5) . . . . ?
B C003 C006 C002 -108.5(5) . . . . ?
B C003 C006 C00F 67.1(6) . . . . ?
B C003 C00T B017 103.4(4) . . . . ?
B C003 C00T B01B -40.5(4) . . . . ?
B C003 C00T B01G -1.9(5) . . . . ?
B C003 C00T B01K 65.0(5) . . . . ?
B C003 B016 B017 -138.6(4) . . . . ?
B C003 B016 B018 -100.7(4) . . . . ?
B C003 B016 B019 -37.9(4) . . . . ?
B C003 B017 C00T -100.2(4) . . . . ?
B C003 B017 B016 38.2(4) . . . . ?
B C003 B017 B018 0.0(5) . . . . ?
B C003 B017 B01K -63.7(5) . . . . ?
B C003 B01B C004 -115.3(5) . . . . ?
B C003 B01B C00T 135.7(4) . . . . ?
B C003 B01B B01E 37.2(4) . . . . ?
B C003 B01B B01G 100.2(4) . . . . ?
B B016 B017 C003 -36.4(3) . . . . ?
B B016 B017 C00T -0.9(5) . . . . ?
B B016 B017 B018 100.1(4) . . . . ?
B B016 B017 B01K 61.6(5) . . . . ?
B B016 B018 B017 -100.1(4) . . . . ?
B B016 B018 B019 37.6(4) . . . . ?
B B016 B018 B01I 0.0(5) . . . . ?
B B016 B018 B01K -62.5(5) . . . . ?
B B016 B019 B018 -137.5(4) . . . . ?
B B016 B019 B01E -36.1(4) . . . . ?
B B016 B019 B01I -99.4(5) . . . . ?
B B019 B01E B01B -36.4(4) . . . . ?
B B019 B01E B01G -100.1(4) . . . . ?
B B019 B01E B01I -137.4(4) . . . . ?
B B019 B01I B018 -99.9(4) . . . . ?
B B019 B01I B01E 37.6(4) . . . . ?
B B019 B01I B01G 0.0(6) . . . . ?
B B019 B01I B01K -63.1(5) . . . . ?
B B01B B01E B019 35.9(4) . . . . ?
B B01B B01E B01G 135.8(5) . . . . ?
B B01B B01E B01I 99.2(5) . . . . ?
B B01B B01G C00T 96.3(4) . . . . ?
B B01B B01G B01E -38.9(4) . . . . ?
B B01B B01G B01I -1.8(6) . . . . ?
B B01B B01G B01K 62.0(5) . . . . ?
B B01E B01G C00T 0.7(5) . . . . ?
B B01E B01G B01B 39.4(4) . . . . ?
B B01E B01G B01I -99.5(5) . . . . ?
B B01E B01G B01K -61.7(5) . . . . ?
B B01E B01I B018 0.2(5) . . . . ?
B B01E B01I B019 -37.3(4) . . . . ?
B B01E B01I B01G 100.5(4) . . . . ?
B B01E B01I B01K 63.1(5) . . . . ?
B012 C00L B015 B01A 39.9(4) . . . . ?
B012 C00L B015 B01H 142.2(4) . . . . ?
B012 C00L B015 B01J 102.1(4) . . . . ?
B012 C00L B01D C00I -138.9(4) . . . . ?
B012 C00L B01D B013 -101.8(4) . . . . ?
B012 C00L B01D B01F -39.7(4) . . . . ?
B012 C00L B01H C00I 104.7(4) . . . . ?
B012 C00L B01H C00K -148.8(5) . . . . ?
B012 C00L B01H B015 -37.0(4) . . . . ?
B012 C00L B01H B01C 66.1(5) . . . . ?
B012 C00L B01H B01J 3.9(6) . . . . ?
B012 B015 B01A B014 100.6(4) . . . . ?
B012 B015 B01A B01F 37.2(4) . . . . ?
B012 B015 B01A B01J 138.3(4) . . . . ?
B012 B015 B01H C00I 0.6(5) . . . . ?
B012 B015 B01H C00K 141.1(5) . . . . ?
B012 B015 B01H C00L 33.7(4) . . . . ?
B012 B015 B01H B01C -61.7(5) . . . . ?
B012 B015 B01H B01J -99.7(5) . . . . ?
B012 B015 B01J B014 1.1(6) . . . . ?
B012 B015 B01J B01A -37.2(4) . . . . ?
B012 B015 B01J B01C 64.2(5) . . . . ?
B012 B015 B01J B01H 102.2(4) . . . . ?
B012 B01A B01F B013 101.6(4) . . . . ?
B012 B01A B01F B014 138.5(4) . . . . ?
B012 B01A B01F B01D 38.0(4) . . . . ?
B012 B01A B01J B014 -100.0(4) . . . . ?
B012 B01A B01J B015 37.5(4) . . . . ?
B012 B01A B01J B01C -62.9(5) . . . . ?
B012 B01A B01J B01H 1.0(6) . . . . ?
B012 B01D B01F B013 -137.6(4) . . . . ?
B012 B01D B01F B014 -100.5(5) . . . . ?
B012 B01D B01F B01A -37.7(4) . . . . ?
B013 C00I C00L B012 1.0(5) . . . . ?
B013 C00I C00L B015 70.5(5) . . . . ?
B013 C00I C00L B01D -39.0(4) . . . . ?
B013 C00I C00L B01H 106.6(4) . . . . ?
B013 C00I B01C B014 -39.3(4) . . . . ?
B013 C00I B01C B01H -140.8(4) . . . . ?
B013 C00I B01C B01J -102.6(4) . . . . ?
B013 C00I B01D C00L 136.8(4) . . . . ?
B013 C00I B01D B012 101.2(4) . . . . ?
B013 C00I B01D B01F 39.2(4) . . . . ?
B013 C00I B01H C00K 151.9(4) . . . . ?
B013 C00I B01H C00L -98.5(4) . . . . ?
B013 C00I B01H B015 -65.5(5) . . . . ?
B013 C00I B01H B01C 36.9(4) . . . . ?
B013 C00I B01H B01J -1.8(5) . . . . ?
B013 B014 B01A B012 1.1(5) . . . . ?
B013 B014 B01A B015 -62.5(5) . . . . ?
B013 B014 B01A B01F 37.8(4) . . . . ?
B013 B014 B01A B01J -100.5(4) . . . . ?
B013 B014 B01C C00I 39.4(4) . . . . ?
B013 B014 B01C B01H 101.2(4) . . . . ?
B013 B014 B01C B01J 138.1(4) . . . . ?
B013 B014 B01F B012 -101.1(4) . . . . ?
B013 B014 B01F B01A -137.9(4) . . . . ?
B013 B014 B01F B01D -37.7(4) . . . . ?
B013 B014 B01J B015 63.1(5) . . . . ?
B013 B014 B01J B01A 101.0(4) . . . . ?
B013 B014 B01J B01C -37.5(4) . . . . ?
B013 B014 B01J B01H -0.4(6) . . . . ?
B013 B01C B01H C00I -35.4(4) . . . . ?
B013 B01C B01H C00K -140.7(5) . . . . ?
B013 B01C B01H C00L 2.5(5) . . . . ?
B013 B01C B01H B015 62.5(5) . . . . ?
B013 B01C B01H B01J 100.9(4) . . . . ?
B013 B01C B01J B014 37.6(4) . . . . ?
B013 B01C B01J B015 -63.3(5) . . . . ?
B013 B01C B01J B01A 0.1(5) . . . . ?
B013 B01C B01J B01H -101.1(4) . . . . ?
B013 B01D B01F B012 137.6(4) . . . . ?
B013 B01D B01F B014 37.0(4) . . . . ?
B013 B01D B01F B01A 99.8(4) . . . . ?
B014 B013 B01C C00I -135.6(4) . . . . ?
B014 B013 B01C B01H -101.0(5) . . . . ?
B014 B013 B01C B01J -37.8(4) . . . . ?
B014 B013 B01D C00I 97.1(4) . . . . ?
B014 B013 B01D C00L 60.6(5) . . . . ?
B014 B013 B01D B012 -0.5(5) . . . . ?
B014 B013 B01D B01F -38.1(4) . . . . ?
B014 B013 B01F B012 99.9(4) . . . . ?
B014 B013 B01F B01A 37.2(4) . . . . ?
B014 B013 B01F B01D 137.9(4) . . . . ?
B014 B01A B01F B012 -138.5(4) . . . . ?
B014 B01A B01F B013 -36.9(4) . . . . ?
B014 B01A B01F B01D -100.5(4) . . . . ?
B014 B01A B01J B015 137.5(4) . . . . ?
B014 B01A B01J B01C 37.1(4) . . . . ?
B014 B01A B01J B01H 101.0(5) . . . . ?
B014 B01C B01H C00I -99.0(4) . . . . ?
B014 B01C B01H C00K 155.7(5) . . . . ?
B014 B01C B01H C00L -61.1(5) . . . . ?
B014 B01C B01H B015 -1.1(6) . . . . ?
B014 B01C B01H B01J 37.3(4) . . . . ?
B014 B01C B01J B015 -100.8(4) . . . . ?
B014 B01C B01J B01A -37.5(4) . . . . ?
B014 B01C B01J B01H -138.7(4) . . . . ?
B015 C00L B012 B01A -39.8(4) . . . . ?
B015 C00L B012 B01D -143.3(4) . . . . ?
B015 C00L B012 B01F -103.2(4) . . . . ?
B015 C00L B01D C00I -102.4(4) . . . . ?
B015 C00L B01D B012 36.5(4) . . . . ?
B015 C00L B01D B013 -65.3(5) . . . . ?
B015 C00L B01D B01F -3.2(5) . . . . ?
B015 C00L B01H C00I 141.7(4) . . . . ?
B015 C00L B01H C00K -111.8(6) . . . . ?
B015 C00L B01H B01C 103.2(4) . . . . ?
B015 C00L B01H B01J 40.9(4) . . . . ?
B015 B012 B01A B014 -100.7(4) . . . . ?
B015 B012 B01A B01F -137.8(4) . . . . ?
B015 B012 B01A B01J -37.5(4) . . . . ?
B015 B012 B01D C00I 3.1(5) . . . . ?
B015 B012 B01D C00L -31.9(4) . . . . ?
B015 B012 B01D B013 64.5(5) . . . . ?
B015 B012 B01D B01F 102.2(4) . . . . ?
B015 B012 B01F B013 -61.3(5) . . . . ?
B015 B012 B01F B014 1.0(5) . . . . ?
B015 B012 B01F B01A 37.8(4) . . . . ?
B015 B012 B01F B01D -99.4(4) . . . . ?
B015 B01A B01F B012 -37.7(4) . . . . ?
B015 B01A B01F B013 63.9(5) . . . . ?
B015 B01A B01F B014 100.8(4) . . . . ?
B015 B01A B01F B01D 0.3(5) . . . . ?
B015 B01A B01J B014 -137.5(4) . . . . ?
B015 B01A B01J B01C -100.4(4) . . . . ?
B015 B01A B01J B01H -36.5(4) . . . . ?
B015 B01H B01J B014 100.7(5) . . . . ?
B015 B01H B01J B01A 36.4(4) . . . . ?
B015 B01H B01J B01C 137.6(4) . . . . ?
B016 C003 C006 C002 -36.5(6) . . . . ?
B016 C003 C006 C00F 139.2(5) . . . . ?
B016 C003 C00T B017 38.5(4) . . . . ?
B016 C003 C00T B01B -105.5(4) . . . . ?
B016 C003 C00T B01G -66.8(5) . . . . ?
B016 C003 C00T B01K 0.1(5) . . . . ?
B016 C003 B B019 39.4(4) . . . . ?
B016 C003 B B01B 142.2(4) . . . . ?
B016 C003 B B01E 104.5(4) . . . . ?
B016 C003 B017 C00T -138.3(4) . . . . ?
B016 C003 B017 B018 -38.1(4) . . . . ?
B016 C003 B017 B01K -101.9(4) . . . . ?
B016 C003 B01B C004 -150.8(4) . . . . ?
B016 C003 B01B C00T 100.3(4) . . . . ?
B016 C003 B01B B -35.4(4) . . . . ?
B016 C003 B01B B01E 1.8(5) . . . . ?
B016 C003 B01B B01G 64.7(5) . . . . ?
B016 B B019 B018 37.5(4) . . . . ?
B016 B B019 B01E 139.2(4) . . . . ?
B016 B B019 B01I 101.4(5) . . . . ?
B016 B B01B C003 34.5(4) . . . . ?
B016 B B01B C004 137.6(5) . . . . ?
B016 B B01B C00T -3.1(5) . . . . ?
B016 B B01B B01E -103.2(5) . . . . ?
B016 B B01B B01G -64.0(5) . . . . ?
B016 B B01E B019 -37.9(4) . . . . ?
B016 B B01E B01B 101.6(4) . . . . ?
B016 B B01E B01G 62.2(5) . . . . ?
B016 B B01E B01I -0.2(5) . . . . ?
B016 B017 B018 B019 -38.1(4) . . . . ?
B016 B017 B018 B01I -101.4(4) . . . . ?
B016 B017 B018 B01K -137.5(4) . . . . ?
B016 B017 B01K C00T -96.5(4) . . . . ?
B016 B017 B01K B018 37.9(4) . . . . ?
B016 B017 B01K B01G -63.3(5) . . . . ?
B016 B017 B01K B01I 0.4(6) . . . . ?
B016 B018 B019 B -37.3(4) . . . . ?
B016 B018 B019 B01E -99.8(4) . . . . ?
B016 B018 B019 B01I -137.9(4) . . . . ?
B016 B018 B01I B019 37.7(4) . . . . ?
B016 B018 B01I B01E -0.1(6) . . . . ?
B016 B018 B01I B01G -63.1(5) . . . . ?
B016 B018 B01I B01K -100.8(4) . . . . ?
B016 B018 B01K C00T 0.8(5) . . . . ?
B016 B018 B01K B017 -38.5(4) . . . . ?
B016 B018 B01K B01G 62.3(5) . . . . ?
B016 B018 B01K B01I 100.4(5) . . . . ?
B016 B019 B01E B 36.0(4) . . . . ?
B016 B019 B01E B01B -0.5(5) . . . . ?
B016 B019 B01E B01G -64.1(5) . . . . ?
B016 B019 B01E B01I -101.4(5) . . . . ?
B016 B019 B01I B018 -37.6(4) . . . . ?
B016 B019 B01I B01E 99.9(4) . . . . ?
B016 B019 B01I B01G 62.3(5) . . . . ?
B016 B019 B01I B01K -0.7(6) . . . . ?
B017 C003 C006 C002 39.2(6) . . . . ?
B017 C003 C006 C00F -145.1(4) . . . . ?
B017 C003 C00T B01B -143.9(4) . . . . ?
B017 C003 C00T B01G -105.3(4) . . . . ?
B017 C003 C00T B01K -38.4(4) . . . . ?
B017 C003 B B016 -38.6(4) . . . . ?
B017 C003 B B019 0.8(5) . . . . ?
B017 C003 B B01B 103.6(4) . . . . ?
B017 C003 B B01E 65.9(5) . . . . ?
B017 C003 B016 B 138.6(4) . . . . ?
B017 C003 B016 B018 37.9(4) . . . . ?
B017 C003 B016 B019 100.7(4) . . . . ?
B017 C003 B01B C004 141.9(4) . . . . ?
B017 C003 B01B C00T 33.0(4) . . . . ?
B017 C003 B01B B -102.7(4) . . . . ?
B017 C003 B01B B01E -65.5(5) . . . . ?
B017 C003 B01B B01G -2.6(5) . . . . ?
B017 C00T B01B C003 -35.1(4) . . . . ?
B017 C00T B01B C004 -140.6(5) . . . . ?
B017 C00T B01B B 2.6(5) . . . . ?
B017 C00T B01B B01E 64.5(5) . . . . ?
B017 C00T B01B B01G 103.9(5) . . . . ?
B017 C00T B01G B01B -106.6(5) . . . . ?
B017 C00T B01G B01E -67.6(5) . . . . ?
B017 C00T B01G B01I -4.4(6) . . . . ?
B017 C00T B01G B01K 35.2(4) . . . . ?
B017 C00T B01K B018 -39.6(4) . . . . ?
B017 C00T B01K B01G -142.6(4) . . . . ?
B017 C00T B01K B01I -103.2(4) . . . . ?
B017 B016 B018 B019 137.7(4) . . . . ?
B017 B016 B018 B01I 100.1(4) . . . . ?
B017 B016 B018 B01K 37.6(4) . . . . ?
B017 B016 B019 B 100.4(4) . . . . ?
B017 B016 B019 B018 -37.1(4) . . . . ?
B017 B016 B019 B01E 64.3(5) . . . . ?
B017 B016 B019 B01I 1.0(5) . . . . ?
B017 B018 B019 B 1.3(5) . . . . ?
B017 B018 B019 B016 38.6(4) . . . . ?
B017 B018 B019 B01E -61.2(5) . . . . ?
B017 B018 B019 B01I -99.3(4) . . . . ?
B017 B018 B01I B019 102.3(4) . . . . ?
B017 B018 B01I B01E 64.4(5) . . . . ?
B017 B018 B01I B01G 1.4(6) . . . . ?
B017 B018 B01I B01K -36.2(4) . . . . ?
B017 B018 B01K C00T 39.3(4) . . . . ?
B017 B018 B01K B01G 100.8(4) . . . . ?
B017 B018 B01K B01I 138.9(5) . . . . ?
B018 B016 B017 C003 -136.5(4) . . . . ?
B018 B016 B017 C00T -101.1(4) . . . . ?
B018 B016 B017 B01K -38.5(4) . . . . ?
B018 B016 B019 B 137.5(4) . . . . ?
B018 B016 B019 B01E 101.4(4) . . . . ?
B018 B016 B019 B01I 38.1(4) . . . . ?
B018 B017 B01K C00T -134.4(4) . . . . ?
B018 B017 B01K B01G -101.3(5) . . . . ?
B018 B017 B01K B01I -37.5(4) . . . . ?
B018 B019 B01E B 99.0(4) . . . . ?
B018 B019 B01E B01B 62.5(5) . . . . ?
B018 B019 B01E B01G -1.1(5) . . . . ?
B018 B019 B01E B01I -38.4(4) . . . . ?
B018 B019 B01I B01E 137.5(4) . . . . ?
B018 B019 B01I B01G 99.9(5) . . . . ?
B018 B019 B01I B01K 36.8(4) . . . . ?
B018 B01I B01K C00T 98.8(4) . . . . ?
B018 B01I B01K B017 36.9(4) . . . . ?
B018 B01I B01K B01G 137.5(4) . . . . ?
B019 B B016 C003 -136.7(4) . . . . ?
B019 B B016 B017 -99.9(4) . . . . ?
B019 B B016 B018 -37.9(4) . . . . ?
B019 B B01B C003 100.3(4) . . . . ?
B019 B B01B C004 -156.5(5) . . . . ?
B019 B B01B C00T 62.7(5) . . . . ?
B019 B B01B B01E -37.4(4) . . . . ?
B019 B B01B B01G 1.8(5) . . . . ?
B019 B B01E B01B 139.5(4) . . . . ?
B019 B B01E B01G 100.1(5) . . . . ?
B019 B B01E B01I 37.7(4) . . . . ?
B019 B016 B017 C003 -98.9(4) . . . . ?
B019 B016 B017 C00T -63.4(5) . . . . ?
B019 B016 B017 B018 37.6(4) . . . . ?
B019 B016 B017 B01K -0.9(5) . . . . ?
B019 B016 B018 B017 -137.7(4) . . . . ?
B019 B016 B018 B01I -37.6(4) . . . . ?
B019 B016 B018 B01K -100.0(5) . . . . ?
B019 B018 B01I B01E -37.9(4) . . . . ?
B019 B018 B01I B01G -100.9(5) . . . . ?
B019 B018 B01I B01K -138.5(4) . . . . ?
B019 B018 B01K C00T -62.8(5) . . . . ?
B019 B018 B01K B017 -102.1(4) . . . . ?
B019 B018 B01K B01G -1.3(5) . . . . ?
B019 B018 B01K B01I 36.9(4) . . . . ?
B019 B01E B01G C00T 62.7(5) . . . . ?
B019 B01E B01G B01B 101.5(4) . . . . ?
B019 B01E B01G B01I -37.4(4) . . . . ?
B019 B01E B01G B01K 0.3(5) . . . . ?
B019 B01E B01I B018 37.5(4) . . . . ?
B019 B01E B01I B01G 137.8(4) . . . . ?
B019 B01E B01I B01K 100.4(4) . . . . ?
B019 B01I B01K C00T 62.1(5) . . . . ?
B019 B01I B01K B017 0.2(6) . . . . ?
B019 B01I B01K B018 -36.7(4) . . . . ?
B019 B01I B01K B01G 100.8(5) . . . . ?
B01A B012 B015 C00L 134.1(4) . . . . ?
B01A B012 B015 B01H 99.8(4) . . . . ?
B01A B012 B015 B01J 37.2(4) . . . . ?
B01A B012 B01D C00I -60.1(5) . . . . ?
B01A B012 B01D C00L -95.2(4) . . . . ?
B01A B012 B01D B013 1.2(5) . . . . ?
B01A B012 B01D B01F 38.9(4) . . . . ?
B01A B012 B01F B013 -99.1(4) . . . . ?
B01A B012 B01F B014 -36.8(4) . . . . ?
B01A B012 B01F B01D -137.3(4) . . . . ?
B01A B014 B01C C00I -61.8(5) . . . . ?
B01A B014 B01C B013 -101.3(4) . . . . ?
B01A B014 B01C B01H 0.0(6) . . . . ?
B01A B014 B01C B01J 36.8(4) . . . . ?
B01A B014 B01F B012 36.8(4) . . . . ?
B01A B014 B01F B013 137.9(4) . . . . ?
B01A B014 B01F B01D 100.1(4) . . . . ?
B01A B014 B01J B015 -37.8(4) . . . . ?
B01A B014 B01J B01C -138.5(4) . . . . ?
B01A B014 B01J B01H -101.4(5) . . . . ?
B01A B015 B01H C00I 64.0(5) . . . . ?
B01A B015 B01H C00K -155.4(5) . . . . ?
B01A B015 B01H C00L 97.1(4) . . . . ?
B01A B015 B01H B01C 1.8(6) . . . . ?
B01A B015 B01H B01J -36.3(4) . . . . ?
B01A B015 B01J B014 38.2(4) . . . . ?
B01A B015 B01J B01C 101.4(4) . . . . ?
B01A B015 B01J B01H 139.3(4) . . . . ?
B01B C003 C006 C002 -178.8(4) . . . . ?
B01B C003 C006 C00F -3.2(6) . . . . ?
B01B C003 C00T B017 143.9(4) . . . . ?
B01B C003 C00T B01G 38.6(4) . . . . ?
B01B C003 C00T B01K 105.5(5) . . . . ?
B01B C003 B B016 -142.2(4) . . . . ?
B01B C003 B B019 -102.8(4) . . . . ?
B01B C003 B B01E -37.7(4) . . . . ?
B01B C003 B016 B 35.8(4) . . . . ?
B01B C003 B016 B017 -102.8(4) . . . . ?
B01B C003 B016 B018 -64.9(5) . . . . ?
B01B C003 B016 B019 -2.1(5) . . . . ?
B01B C003 B017 C00T -33.4(4) . . . . ?
B01B C003 B017 B016 104.9(4) . . . . ?
B01B C003 B017 B018 66.8(5) . . . . ?
B01B C003 B017 B01K 3.1(5) . . . . ?
B01B C004 C00C C00F 4.1(7) . . . . ?
B01B C004 C00C C00P -174.6(4) . . . . ?
B01B C004 C00E C00U 176.3(5) . . . . ?
B01B C00T B017 C003 34.5(4) . . . . ?
B01B C00T B017 B016 -1.1(5) . . . . ?
B01B C00T B017 B018 -63.4(5) . . . . ?
B01B C00T B017 B01K -104.2(5) . . . . ?
B01B C00T B01G B01E 38.9(4) . . . . ?
B01B C00T B01G B01I 102.2(4) . . . . ?
B01B C00T B01G B01K 141.8(4) . . . . ?
B01B C00T B01K B017 106.0(5) . . . . ?
B01B C00T B01K B018 66.4(5) . . . . ?
B01B C00T B01K B01G -36.6(4) . . . . ?
B01B C00T B01K B01I 2.8(5) . . . . ?
B01B B B016 C003 -34.3(4) . . . . ?
B01B B B016 B017 2.6(5) . . . . ?
B01B B B016 B018 64.6(5) . . . . ?
B01B B B016 B019 102.4(4) . . . . ?
B01B B B019 B016 -102.5(4) . . . . ?
B01B B B019 B018 -65.0(5) . . . . ?
B01B B B019 B01E 36.7(4) . . . . ?
B01B B B019 B01I -1.1(6) . . . . ?
B01B B B01E B019 -139.5(4) . . . . ?
B01B B B01E B01G -39.4(4) . . . . ?
B01B B B01E B01I -101.8(5) . . . . ?
B01B B01E B01G C00T -38.7(4) . . . . ?
B01B B01E B01G B01I -138.9(4) . . . . ?
B01B B01E B01G B01K -101.2(4) . . . . ?
B01B B01E B01I B018 -63.4(5) . . . . ?
B01B B01E B01I B019 -100.9(4) . . . . ?
B01B B01E B01I B01G 36.9(4) . . . . ?
B01B B01E B01I B01K -0.5(5) . . . . ?
B01B B01G B01I B018 63.7(5) . . . . ?
B01B B01G B01I B019 1.1(6) . . . . ?
B01B B01G B01I B01E -36.6(4) . . . . ?
B01B B01G B01I B01K 101.4(5) . . . . ?
B01B B01G B01K C00T 34.0(4) . . . . ?
B01B B01G B01K B017 0.8(6) . . . . ?
B01B B01G B01K B018 -62.4(5) . . . . ?
B01B B01G B01K B01I -101.0(5) . . . . ?
B01C C00I C00L B012 -64.2(5) . . . . ?
B01C C00I C00L B015 5.3(5) . . . . ?
B01C C00I C00L B01D -104.2(4) . . . . ?
B01C C00I C00L B01H 41.4(4) . . . . ?
B01C C00I B013 B014 38.7(4) . . . . ?
B01C C00I B013 B01D 141.3(4) . . . . ?
B01C C00I B013 B01F 102.1(4) . . . . ?
B01C C00I B01D C00L 100.5(5) . . . . ?
B01C C00I B01D B012 64.8(5) . . . . ?
B01C C00I B01D B013 -36.3(4) . . . . ?
B01C C00I B01D B01F 2.9(5) . . . . ?
B01C C00I B01H C00K 115.0(5) . . . . ?
B01C C00I B01H C00L -135.3(4) . . . . ?
B01C C00I B01H B015 -102.4(4) . . . . ?
B01C C00I B01H B01J -38.7(4) . . . . ?
B01C B013 B014 B01A 100.3(4) . . . . ?
B01C B013 B014 B01F 138.1(4) . . . . ?
B01C B013 B014 B01J 37.3(4) . . . . ?
B01C B013 B01D C00I 33.9(4) . . . . ?
B01C B013 B01D C00L -2.6(5) . . . . ?
B01C B013 B01D B012 -63.8(5) . . . . ?
B01C B013 B01D B01F -101.3(4) . . . . ?
B01C B013 B01F B012 62.4(5) . . . . ?
B01C B013 B01F B014 -37.4(4) . . . . ?
B01C B013 B01F B01A -0.2(5) . . . . ?
B01C B013 B01F B01D 100.4(4) . . . . ?
B01C B014 B01A B012 64.7(5) . . . . ?
B01C B014 B01A B015 1.1(5) . . . . ?
B01C B014 B01A B01F 101.4(5) . . . . ?
B01C B014 B01A B01J -36.9(4) . . . . ?
B01C B014 B01F B012 -63.5(5) . . . . ?
B01C B014 B01F B013 37.6(4) . . . . ?
B01C B014 B01F B01A -100.3(5) . . . . ?
B01C B014 B01F B01D -0.1(6) . . . . ?
B01C B014 B01J B015 100.7(4) . . . . ?
B01C B014 B01J B01A 138.5(4) . . . . ?
B01C B014 B01J B01H 37.1(4) . . . . ?
B01C B01H B01J B014 -36.9(4) . . . . ?
B01C B01H B01J B015 -137.6(4) . . . . ?
B01C B01H B01J B01A -101.2(5) . . . . ?
B01D C00I C00L B012 40.1(4) . . . . ?
B01D C00I C00L B015 109.5(4) . . . . ?
B01D C00I C00L B01H 145.6(4) . . . . ?
B01D C00I B013 B014 -102.6(4) . . . . ?
B01D C00I B013 B01C -141.3(4) . . . . ?
B01D C00I B013 B01F -39.2(4) . . . . ?
B01D C00I B01C B013 36.3(4) . . . . ?
B01D C00I B01C B014 -3.0(6) . . . . ?
B01D C00I B01C B01H -104.5(4) . . . . ?
B01D C00I B01C B01J -66.3(5) . . . . ?
B01D C00I B01H C00K -141.1(4) . . . . ?
B01D C00I B01H C00L -31.4(4) . . . . ?
B01D C00I B01H B015 1.5(5) . . . . ?
B01D C00I B01H B01C 103.9(4) . . . . ?
B01D C00I B01H B01J 65.2(5) . . . . ?
B01D C00L B012 B015 143.3(4) . . . . ?
B01D C00L B012 B01A 103.5(4) . . . . ?
B01D C00L B012 B01F 40.1(4) . . . . ?
B01D C00L B015 B012 -36.5(4) . . . . ?
B01D C00L B015 B01A 3.5(6) . . . . ?
B01D C00L B015 B01H 105.8(4) . . . . ?
B01D C00L B015 B01J 65.6(5) . . . . ?
B01D C00L B01H C00I 34.0(4) . . . . ?
B01D C00L B01H C00K 140.5(5) . . . . ?
B01D C00L B01H B015 -107.7(5) . . . . ?
B01D C00L B01H B01C -4.5(5) . . . . ?
B01D C00L B01H B01J -66.8(5) . . . . ?
B01D B012 B015 C00L 32.0(4) . . . . ?
B01D B012 B015 B01A -102.2(4) . . . . ?
B01D B012 B015 B01H -2.4(5) . . . . ?
B01D B012 B015 B01J -65.0(5) . . . . ?
B01D B012 B01A B014 -1.4(5) . . . . ?
B01D B012 B01A B015 99.3(4) . . . . ?
B01D B012 B01A B01F -38.5(4) . . . . ?
B01D B012 B01A B01J 61.7(5) . . . . ?
B01D B012 B01F B013 38.2(4) . . . . ?
B01D B012 B01F B014 100.5(4) . . . . ?
B01D B012 B01F B01A 137.3(4) . . . . ?
B01D B013 B014 B01A -0.3(5) . . . . ?
B01D B013 B014 B01C -100.6(4) . . . . ?
B01D B013 B014 B01F 37.5(4) . . . . ?
B01D B013 B014 B01J -63.4(5) . . . . ?
B01D B013 B01C C00I -34.7(4) . . . . ?
B01D B013 B01C B014 101.0(4) . . . . ?
B01D B013 B01C B01H 0.0(5) . . . . ?
B01D B013 B01C B01J 63.2(5) . . . . ?
B01D B013 B01F B012 -38.0(4) . . . . ?
B01D B013 B01F B014 -137.9(4) . . . . ?
B01D B013 B01F B01A -100.7(4) . . . . ?
B01E B B016 C003 -98.7(4) . . . . ?
B01E B B016 B017 -61.9(5) . . . . ?
B01E B B016 B018 0.1(5) . . . . ?
B01E B B016 B019 38.0(4) . . . . ?
B01E B B019 B016 -139.2(4) . . . . ?
B01E B B019 B018 -101.7(4) . . . . ?
B01E B B019 B01I -37.8(4) . . . . ?
B01E B B01B C003 137.7(4) . . . . ?
B01E B B01B C004 -119.1(6) . . . . ?
B01E B B01B C00T 100.1(4) . . . . ?
B01E B B01B B01G 39.2(4) . . . . ?
B01E B019 B01I B018 -137.5(4) . . . . ?
B01E B019 B01I B01G -37.6(4) . . . . ?
B01E B019 B01I B01K -100.6(5) . . . . ?
B01E B01B B01G C00T 135.2(4) . . . . ?
B01E B01B B01G B01I 37.1(4) . . . . ?
B01E B01B B01G B01K 100.9(5) . . . . ?
B01E B01G B01I B018 100.3(5) . . . . ?
B01E B01G B01I B019 37.7(4) . . . . ?
B01E B01G B01I B01K 137.9(4) . . . . ?
B01E B01G B01K C00T 97.0(4) . . . . ?
B01E B01G B01K B017 63.8(5) . . . . ?
B01E B01G B01K B018 0.6(5) . . . . ?
B01E B01G B01K B01I -38.0(4) . . . . ?
B01E B01I B01K C00T -1.3(5) . . . . ?
B01E B01I B01K B017 -63.2(5) . . . . ?
B01E B01I B01K B018 -100.1(4) . . . . ?
B01E B01I B01K B01G 37.4(4) . . . . ?
B01F B012 B015 C00L 95.7(4) . . . . ?
B01F B012 B015 B01A -38.4(4) . . . . ?
B01F B012 B015 B01H 61.4(5) . . . . ?
B01F B012 B015 B01J -1.3(5) . . . . ?
B01F B012 B01A B014 37.1(4) . . . . ?
B01F B012 B01A B015 137.8(4) . . . . ?
B01F B012 B01A B01J 100.3(5) . . . . ?
B01F B012 B01D C00I -99.0(4) . . . . ?
B01F B012 B01D C00L -134.1(4) . . . . ?
B01F B012 B01D B013 -37.7(4) . . . . ?
B01F B013 B014 B01A -37.8(4) . . . . ?
B01F B013 B014 B01C -138.1(4) . . . . ?
B01F B013 B014 B01J -100.8(4) . . . . ?
B01F B013 B01C C00I -97.7(4) . . . . ?
B01F B013 B01C B014 37.9(4) . . . . ?
B01F B013 B01C B01H -63.1(5) . . . . ?
B01F B013 B01C B01J 0.1(5) . . . . ?
B01F B013 B01D C00I 135.2(4) . . . . ?
B01F B013 B01D C00L 98.7(4) . . . . ?
B01F B013 B01D B012 37.5(4) . . . . ?
B01F B014 B01A B012 -36.7(4) . . . . ?
B01F B014 B01A B015 -100.3(4) . . . . ?
B01F B014 B01A B01J -138.3(4) . . . . ?
B01F B014 B01C C00I 1.9(6) . . . . ?
B01F B014 B01C B013 -37.6(4) . . . . ?
B01F B014 B01C B01H 63.7(5) . . . . ?
B01F B014 B01C B01J 100.5(5) . . . . ?
B01F B014 B01J B015 -0.4(6) . . . . ?
B01F B014 B01J B01A 37.4(4) . . . . ?
B01F B014 B01J B01C -101.1(4) . . . . ?
B01F B014 B01J B01H -64.0(5) . . . . ?
B01F B01A B01J B014 -37.3(4) . . . . ?
B01F B01A B01J B015 100.2(4) . . . . ?
B01F B01A B01J B01C -0.2(5) . . . . ?
B01F B01A B01J B01H 63.7(5) . . . . ?
B01G C00T B017 C003 103.3(4) . . . . ?
B01G C00T B017 B016 67.6(5) . . . . ?
B01G C00T B017 B018 5.3(5) . . . . ?
B01G C00T B017 B01K -35.4(4) . . . . ?
B01G C00T B01B C003 -139.0(4) . . . . ?
B01G C00T B01B C004 115.4(5) . . . . ?
B01G C00T B01B B -101.3(4) . . . . ?
B01G C00T B01B B01E -39.4(4) . . . . ?
B01G C00T B01K B017 142.6(4) . . . . ?
B01G C00T B01K B018 103.0(5) . . . . ?
B01G C00T B01K B01I 39.4(4) . . . . ?
B01G B01B B01E B -135.8(5) . . . . ?
B01G B01B B01E B019 -99.9(5) . . . . ?
B01G B01B B01E B01I -36.5(4) . . . . ?
B01G B01E B01I B018 -100.3(5) . . . . ?
B01G B01E B01I B019 -137.8(4) . . . . ?
B01G B01E B01I B01K -37.4(4) . . . . ?
B01G B01I B01K C00T -38.7(4) . . . . ?
B01G B01I B01K B017 -100.7(5) . . . . ?
B01G B01I B01K B018 -137.5(4) . . . . ?
B01H C00I C00L B012 -105.5(4) . . . . ?
B01H C00I C00L B015 -36.1(4) . . . . ?
B01H C00I C00L B01D -145.6(4) . . . . ?
B01H C00I B013 B014 1.6(5) . . . . ?
B01H C00I B013 B01C -37.1(4) . . . . ?
B01H C00I B013 B01D 104.2(4) . . . . ?
B01H C00I B013 B01F 65.0(5) . . . . ?
B01H C00I B01C B013 140.8(4) . . . . ?
B01H C00I B01C B014 101.6(5) . . . . ?
B01H C00I B01C B01J 38.2(4) . . . . ?
B01H C00I B01D C00L 32.7(4) . . . . ?
B01H C00I B01D B012 -2.9(5) . . . . ?
B01H C00I B01D B013 -104.1(4) . . . . ?
B01H C00I B01D B01F -64.9(5) . . . . ?
B01H C00K C00O C00Y -178.7(5) . . . . ?
B01H C00K C00S C005 -1.4(7) . . . . ?
B01H C00K C00S C00M 178.4(4) . . . . ?
B01H C00L B012 B015 36.5(4) . . . . ?
B01H C00L B012 B01A -3.3(5) . . . . ?
B01H C00L B012 B01D -106.8(4) . . . . ?
B01H C00L B012 B01F -66.7(5) . . . . ?
B01H C00L B015 B012 -142.2(4) . . . . ?
B01H C00L B015 B01A -102.3(4) . . . . ?
B01H C00L B015 B01J -40.2(4) . . . . ?
B01H C00L B01D C00I -32.6(4) . . . . ?
B01H C00L B01D B012 106.2(4) . . . . ?
B01H C00L B01D B013 4.5(5) . . . . ?
B01H C00L B01D B01F 66.5(5) . . . . ?
B01H B015 B01A B012 -102.4(4) . . . . ?
B01H B015 B01A B014 -1.8(5) . . . . ?
B01H B015 B01A B01F -65.2(5) . . . . ?
B01H B015 B01A B01J 35.9(4) . . . . ?
B01H B015 B01J B014 -101.1(5) . . . . ?
B01H B015 B01J B01A -139.3(4) . . . . ?
B01H B015 B01J B01C -38.0(4) . . . . ?
B01H B01C B01J B014 138.7(4) . . . . ?
B01H B01C B01J B015 37.9(4) . . . . ?
B01H B01C B01J B01A 101.2(5) . . . . ?
B01I B018 B019 B 100.6(4) . . . . ?
B01I B018 B019 B016 137.9(4) . . . . ?
B01I B018 B019 B01E 38.0(4) . . . . ?
B01I B018 B01K C00T -99.6(5) . . . . ?
B01I B018 B01K B017 -138.9(5) . . . . ?
B01I B018 B01K B01G -38.1(4) . . . . ?
B01I B019 B01E B 137.4(4) . . . . ?
B01I B019 B01E B01B 100.9(5) . . . . ?
B01I B019 B01E B01G 37.3(4) . . . . ?
B01I B01E B01G C00T 100.2(5) . . . . ?
B01I B01E B01G B01B 138.9(4) . . . . ?
B01I B01E B01G B01K 37.8(4) . . . . ?
B01I B01G B01K C00T 135.1(4) . . . . ?
B01I B01G B01K B017 101.9(5) . . . . ?
B01I B01G B01K B018 38.6(4) . . . . ?
B01J B014 B01A B012 101.6(4) . . . . ?
B01J B014 B01A B015 38.0(4) . . . . ?
B01J B014 B01A B01F 138.3(4) . . . . ?
B01J B014 B01C C00I -98.7(5) . . . . ?
B01J B014 B01C B013 -138.1(4) . . . . ?
B01J B014 B01C B01H -36.9(4) . . . . ?
B01J B014 B01F B012 -0.3(6) . . . . ?
B01J B014 B01F B013 100.7(4) . . . . ?
B01J B014 B01F B01A -37.1(4) . . . . ?
B01J B014 B01F B01D 63.0(5) . . . . ?
B01J B015 B01A B012 -138.3(4) . . . . ?
B01J B015 B01A B014 -37.7(4) . . . . ?
B01J B015 B01A B01F -101.1(5) . . . . ?
B01J B015 B01H C00I 100.3(4) . . . . ?
B01J B015 B01H C00K -119.1(6) . . . . ?
B01J B015 B01H C00L 133.4(4) . . . . ?
B01J B015 B01H B01C 38.1(4) . . . . ?
B01J B01A B01F B012 -101.3(4) . . . . ?
B01J B01A B01F B013 0.3(5) . . . . ?
B01J B01A B01F B014 37.2(4) . . . . ?
B01J B01A B01F B01D -63.3(5) . . . . ?
B01J B01C B01H C00I -136.3(4) . . . . ?
B01J B01C B01H C00K 118.4(6) . . . . ?
B01J B01C B01H C00L -98.4(4) . . . . ?
B01J B01C B01H B015 -38.4(4) . . . . ?
B01K C00T B017 C003 138.7(4) . . . . ?
B01K C00T B017 B016 103.1(4) . . . . ?
B01K C00T B017 B018 40.7(4) . . . . ?
B01K C00T B01B C003 -102.7(4) . . . . ?
B01K C00T B01B C004 151.8(5) . . . . ?
B01K C00T B01B B -65.0(5) . . . . ?
B01K C00T B01B B01E -3.1(5) . . . . ?
B01K C00T B01B B01G 36.4(4) . . . . ?
B01K C00T B01G B01B -141.8(4) . . . . ?
B01K C00T B01G B01E -102.9(4) . . . . ?
B01K C00T B01G B01I -39.6(4) . . . . ?
B01K B017 B018 B016 137.5(4) . . . . ?
B01K B017 B018 B019 99.4(4) . . . . ?
B01K B017 B018 B01I 36.2(4) . . . . ?
B01K B018 B019 B 64.0(5) . . . . ?
B01K B018 B019 B016 101.3(4) . . . . ?
B01K B018 B019 B01E 1.5(5) . . . . ?
B01K B018 B019 B01I -36.5(4) . . . . ?
B01K B018 B01I B019 138.5(4) . . . . ?
B01K B018 B01I B01E 100.7(5) . . . . ?
B01K B018 B01I B01G 37.7(4) . . . . ?
B01K B01G B01I B018 -37.7(4) . . . . ?
B01K B01G B01I B019 -100.2(5) . . . . ?
B01K B01G B01I B01E -137.9(4) . . . . ?

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

data_shelx
_database_code_depnum_ccdc_archive 'CCDC 2236203'
loop_
_audit_author_name
_audit_author_address
'Junki Ochi'
;Kyoto University
Japan
;
_audit_update_record             
;
2023-01-14 deposited with the CCDC.	2023-03-28 downloaded from the CCDC.
;
_audit_creation_date             2023-01-14
_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        ?
_chemical_formula_moiety         'C18 H20 B10'
_chemical_formula_sum            'C18 H20 B10'
_chemical_formula_weight         344.44
_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'

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

_cell_length_a                   10.943(3)
_cell_length_b                   11.516(3)
_cell_length_c                   14.661(4)
_cell_angle_alpha                90
_cell_angle_beta                 90.013(5)
_cell_angle_gamma                90
_cell_volume                     1847.5(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3395
_cell_measurement_temperature    143
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.3
_shelx_estimated_absorpt_T_max   0.999
_shelx_estimated_absorpt_T_min   0.994
_exptl_absorpt_coefficient_mu    0.062
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.800
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.238
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Plate
_exptl_crystal_F_000             712
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0641
_diffrn_reflns_av_unetI/netI     0.0670
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15060
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.489
_diffrn_reflns_theta_min         3.294
_diffrn_ambient_temperature      143
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Rigaku Saturn724+ (4x4 bin mode)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_source                   ?
_diffrn_source_current           24.0
_diffrn_source_power             1.2
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3311
_reflns_number_total             4136
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.216
_refine_diff_density_min         -0.238
_refine_diff_density_rms         0.045
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     254
_refine_ls_number_reflns         4136
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0835
_refine_ls_R_factor_gt           0.0646
_refine_ls_restrained_S_all      1.080
_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)+(0.0511P)²+0.4482P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1318
_refine_ls_wR_factor_ref         0.1435
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.8059(13)
 0.1941(13)
2. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
3.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C11(H11), C13(H13), C16(H16), C15(H15), C10(H10), C7(H7),
 C6(H6), C14(H14)
3.b Boron cage BH refined with riding coordinates:
 C1(H1), B5(H5A), B9(H9), B8(H8), B1(H1A), B3(H3), B2(H2), B10(H10A), B6(H6A),
 B7(H7A)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C17 C 0.4783(2) 0.7032(2) 0.54865(15) 0.0251(5) Uani 1 1 d . . . . .
C12 C 0.4208(2) 0.7809(2) 0.48682(16) 0.0284(5) Uani 1 1 d . . . . .
C2 C 0.3625(2) 0.47077(19) 0.74526(15) 0.0222(5) Uani 1 1 d . . . . .
C18 C 0.4056(2) 0.6231(2) 0.60162(15) 0.0239(5) Uani 1 1 d . . . . .
C4 C 0.1477(2) 0.4091(2) 0.76449(17) 0.0278(5) Uani 1 1 d . . . . .
H4 H 0.173904 0.366377 0.814617 0.033 Uiso 1 1 calc R U . . .
C5 C 0.0255(2) 0.4079(2) 0.74113(18) 0.0328(6) Uani 1 1 d . . . . .
H5 H -0.030532 0.366458 0.775944 0.039 Uiso 1 1 calc R U . . .
C11 C 0.2939(2) 0.7749(2) 0.47558(17) 0.0331(6) Uani 1 1 d . . . . .
H11 H 0.255492 0.825549 0.435304 0.040 Uiso 1 1 calc R U . . .
C1 C 0.4634(2) 0.4015(2) 0.68140(16) 0.0258(5) Uani 1 1 d . . . . .
H1 H 0.435339 0.358449 0.617761 0.031 Uiso 1 1 calc R U . . .
C3 C 0.2328(2) 0.4733(2) 0.71440(16) 0.0233(5) Uani 1 1 d . . . . .
C13 C 0.4915(2) 0.8615(2) 0.43623(18) 0.0365(6) Uani 1 1 d . . . . .
H13 H 0.452540 0.913808 0.397672 0.044 Uiso 1 1 calc R U . . .
C16 C 0.6078(2) 0.7084(2) 0.55384(18) 0.0342(6) Uani 1 1 d . . . . .
H16 H 0.648870 0.658503 0.593220 0.041 Uiso 1 1 calc R U . . .
C9 C 0.2792(2) 0.6188(2) 0.58707(15) 0.0244(5) Uani 1 1 d . . . . .
C8 C 0.1955(2) 0.5404(2) 0.63925(16) 0.0245(5) Uani 1 1 d . . . . .
C15 C 0.6737(2) 0.7855(3) 0.50187(18) 0.0413(7) Uani 1 1 d . . . . .
H15 H 0.758521 0.786057 0.505701 0.050 Uiso 1 1 calc R U . . .
C10 C 0.2256(2) 0.6961(2) 0.52269(17) 0.0304(6) Uani 1 1 d . . . . .
H10 H 0.141837 0.692815 0.512500 0.037 Uiso 1 1 calc R U . . .
C7 C 0.0709(2) 0.5335(2) 0.61565(18) 0.0338(6) Uani 1 1 d . . . . .
H7 H 0.043504 0.573990 0.564673 0.041 Uiso 1 1 calc R U . . .
C6 C -0.0121(2) 0.4693(2) 0.6652(2) 0.0385(7) Uani 1 1 d . . . . .
H6 H -0.093645 0.467172 0.647427 0.046 Uiso 1 1 calc R U . . .
B5 B 0.4289(2) 0.5867(2) 0.79780(18) 0.0252(6) Uani 1 1 d . . . . .
H5A H 0.381102 0.667709 0.815273 0.030 Uiso 1 1 calc R U . . .
B9 B 0.5829(2) 0.5863(3) 0.76110(19) 0.0284(6) Uani 1 1 d . . . . .
H9 H 0.636264 0.666833 0.754591 0.034 Uiso 1 1 calc R U . . .
B8 B 0.6501(3) 0.4538(3) 0.7996(2) 0.0324(7) Uani 1 1 d . . . . .
H8 H 0.747414 0.449125 0.818063 0.039 Uiso 1 1 calc R U . . .
C14 C 0.6143(3) 0.8635(2) 0.44306(19) 0.0426(7) Uani 1 1 d . . . . .
H14 H 0.659568 0.916308 0.408970 0.051 Uiso 1 1 calc R U . . .
B1 B 0.4192(3) 0.3378(2) 0.78117(19) 0.0291(6) Uani 1 1 d . . . . .
H1A H 0.364678 0.257769 0.785945 0.035 Uiso 1 1 calc R U . . .
B3 B 0.6016(2) 0.4672(3) 0.68397(19) 0.0291(6) Uani 1 1 d . . . . .
H3 H 0.666031 0.469785 0.626436 0.035 Uiso 1 1 calc R U . . .
B2 B 0.5748(2) 0.3362(3) 0.7456(2) 0.0319(6) Uani 1 1 d . . . . .
H2 H 0.622414 0.255040 0.728245 0.038 Uiso 1 1 calc R U . . .
B10 B 0.5425(3) 0.5266(3) 0.86937(18) 0.0313(6) Uani 1 1 d . . . . .
H10A H 0.569843 0.568604 0.933596 0.038 Uiso 1 1 calc R U . . .
B6 B 0.4002(3) 0.4562(2) 0.85734(18) 0.0278(6) Uani 1 1 d . . . . .
H6A H 0.332985 0.452652 0.913058 0.033 Uiso 1 1 calc R U . . .
B4 B 0.4639(2) 0.5518(2) 0.68204(18) 0.0234(5) Uani 1 1 d . . . . .
B7 B 0.5360(3) 0.3728(3) 0.8592(2) 0.0323(6) Uani 1 1 d . . . . .
H7A H 0.558313 0.314910 0.916560 0.039 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C17 C12 1.421(3) . ?
C17 C18 1.445(3) . ?
C17 C16 1.420(3) . ?
C12 C11 1.400(3) . ?
C12 C13 1.418(3) . ?
C2 C1 1.653(3) . ?
C2 C3 1.490(3) . ?
C2 B5 1.704(3) . ?
C2 B1 1.734(3) . ?
C2 B6 1.702(4) . ?
C2 B4 1.720(3) . ?
C18 C9 1.401(3) . ?
C18 B4 1.572(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.380(3) . ?
C4 C3 1.397(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.381(4) . ?
C11 H11 0.9300 . ?
C11 C10 1.363(3) . ?
C1 H1 1.1000 . ?
C1 B1 1.706(4) . ?
C1 B3 1.692(4) . ?
C1 B2 1.714(4) . ?
C1 B4 1.731(3) . ?
C3 C8 1.406(3) . ?
C13 H13 0.9300 . ?
C13 C14 1.348(4) . ?
C16 H16 0.9300 . ?
C16 C15 1.375(3) . ?
C9 C8 1.496(3) . ?
C9 C10 1.424(3) . ?
C8 C7 1.409(3) . ?
C15 H15 0.9300 . ?
C15 C14 1.404(4) . ?
C10 H10 0.9300 . ?
C7 H7 0.9300 . ?
C7 C6 1.378(4) . ?
C6 H6 0.9300 . ?
B5 H5A 1.1000 . ?
B5 B9 1.769(4) . ?
B5 B10 1.767(4) . ?
B5 B6 1.766(4) . ?
B5 B4 1.786(4) . ?
B9 H9 1.1000 . ?
B9 B8 1.785(4) . ?
B9 B3 1.789(4) . ?
B9 B10 1.786(4) . ?
B9 B4 1.788(4) . ?
B8 H8 1.1000 . ?
B8 B3 1.783(4) . ?
B8 B2 1.771(4) . ?
B8 B10 1.771(4) . ?
B8 B7 1.788(4) . ?
C14 H14 0.9300 . ?
B1 H1A 1.1000 . ?
B1 B2 1.781(4) . ?
B1 B6 1.775(4) . ?
B1 B7 1.762(4) . ?
B3 H3 1.1000 . ?
B3 B2 1.783(4) . ?
B3 B4 1.795(4) . ?
B2 H2 1.1000 . ?
B2 B7 1.770(4) . ?
B10 H10A 1.1000 . ?
B10 B6 1.765(4) . ?
B10 B7 1.779(4) . ?
B6 H6A 1.1000 . ?
B6 B7 1.770(4) . ?
B7 H7A 1.1000 . ?

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
C12 C17 C18 120.1(2) . . ?
C16 C17 C12 116.7(2) . . ?
C16 C17 C18 123.2(2) . . ?
C11 C12 C17 118.9(2) . . ?
C11 C12 C13 120.8(2) . . ?
C13 C12 C17 120.2(2) . . ?
C1 C2 B5 110.47(17) . . ?
C1 C2 B1 60.45(14) . . ?
C1 C2 B6 109.74(18) . . ?
C1 C2 B4 61.71(14) . . ?
C3 C2 C1 118.26(18) . . ?
C3 C2 B5 121.89(19) . . ?
C3 C2 B1 116.73(19) . . ?
C3 C2 B6 121.69(19) . . ?
C3 C2 B4 116.11(18) . . ?
B5 C2 B1 113.72(18) . . ?
B5 C2 B4 62.86(14) . . ?
B6 C2 B5 62.48(15) . . ?
B6 C2 B1 62.18(16) . . ?
B6 C2 B4 114.70(18) . . ?
B4 C2 B1 114.33(18) . . ?
C17 C18 B4 120.9(2) . . ?
C9 C18 C17 119.0(2) . . ?
C9 C18 B4 119.7(2) . . ?
C5 C4 H4 119.3 . . ?
C5 C4 C3 121.4(2) . . ?
C3 C4 H4 119.3 . . ?
C4 C5 H5 120.5 . . ?
C4 C5 C6 118.9(2) . . ?
C6 C5 H5 120.5 . . ?
C12 C11 H11 119.5 . . ?
C10 C11 C12 121.1(2) . . ?
C10 C11 H11 119.5 . . ?
C2 C1 H1 120.8 . . ?
C2 C1 B1 62.14(14) . . ?
C2 C1 B3 111.61(19) . . ?
C2 C1 B2 112.07(18) . . ?
C2 C1 B4 61.06(14) . . ?
B1 C1 H1 117.0 . . ?
B1 C1 B2 62.78(16) . . ?
B1 C1 B4 115.22(18) . . ?
B3 C1 H1 118.0 . . ?
B3 C1 B1 115.3(2) . . ?
B3 C1 B2 63.12(16) . . ?
B3 C1 B4 63.23(16) . . ?
B2 C1 H1 117.8 . . ?
B2 C1 B4 115.67(19) . . ?
B4 C1 H1 117.1 . . ?
C4 C3 C2 117.7(2) . . ?
C4 C3 C8 120.6(2) . . ?
C8 C3 C2 121.7(2) . . ?
C12 C13 H13 119.4 . . ?
C14 C13 C12 121.1(3) . . ?
C14 C13 H13 119.4 . . ?
C17 C16 H16 119.3 . . ?
C15 C16 C17 121.4(2) . . ?
C15 C16 H16 119.3 . . ?
C18 C9 C8 123.2(2) . . ?
C18 C9 C10 119.0(2) . . ?
C10 C9 C8 117.7(2) . . ?
C3 C8 C9 123.7(2) . . ?
C3 C8 C7 116.3(2) . . ?
C7 C8 C9 120.0(2) . . ?
C16 C15 H15 119.6 . . ?
C16 C15 C14 120.7(2) . . ?
C14 C15 H15 119.6 . . ?
C11 C10 C9 121.8(2) . . ?
C11 C10 H10 119.1 . . ?
C9 C10 H10 119.1 . . ?
C8 C7 H7 118.7 . . ?
C6 C7 C8 122.5(2) . . ?
C6 C7 H7 118.7 . . ?
C5 C6 H6 119.9 . . ?
C7 C6 C5 120.2(2) . . ?
C7 C6 H6 119.9 . . ?
C2 B5 H5A 124.5 . . ?
C2 B5 B9 105.46(19) . . ?
C2 B5 B10 105.2(2) . . ?
C2 B5 B6 58.71(14) . . ?
C2 B5 B4 59.01(14) . . ?
B9 B5 H5A 121.8 . . ?
B9 B5 B4 60.41(15) . . ?
B10 B5 H5A 121.9 . . ?
B10 B5 B9 60.66(15) . . ?
B10 B5 B4 109.00(19) . . ?
B6 B5 H5A 121.4 . . ?
B6 B5 B9 108.5(2) . . ?
B6 B5 B10 59.92(16) . . ?
B6 B5 B4 108.43(19) . . ?
B4 B5 H5A 121.0 . . ?
B5 B9 H9 122.0 . . ?
B5 B9 B8 107.4(2) . . ?
B5 B9 B3 107.7(2) . . ?
B5 B9 B10 59.63(15) . . ?
B5 B9 B4 60.26(15) . . ?
B8 B9 H9 121.9 . . ?
B8 B9 B3 59.83(16) . . ?
B8 B9 B10 59.48(16) . . ?
B8 B9 B4 108.3(2) . . ?
B3 B9 H9 122.0 . . ?
B10 B9 H9 122.2 . . ?
B10 B9 B3 107.2(2) . . ?
B10 B9 B4 108.06(19) . . ?
B4 B9 H9 121.2 . . ?
B4 B9 B3 60.22(15) . . ?
B9 B8 H8 121.2 . . ?
B9 B8 B7 108.2(2) . . ?
B3 B8 B9 60.19(16) . . ?
B3 B8 H8 121.8 . . ?
B3 B8 B7 107.6(2) . . ?
B2 B8 B9 108.7(2) . . ?
B2 B8 H8 121.5 . . ?
B2 B8 B3 60.21(16) . . ?
B2 B8 B10 108.1(2) . . ?
B2 B8 B7 59.65(16) . . ?
B10 B8 B9 60.26(16) . . ?
B10 B8 H8 121.6 . . ?
B10 B8 B3 108.1(2) . . ?
B10 B8 B7 59.99(16) . . ?
B7 B8 H8 122.0 . . ?
C13 C14 C15 119.7(3) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 H14 120.1 . . ?
C2 B1 H1A 124.4 . . ?
C2 B1 B2 105.18(19) . . ?
C2 B1 B6 58.03(15) . . ?
C2 B1 B7 104.75(19) . . ?
C1 B1 C2 57.42(13) . . ?
C1 B1 H1A 124.6 . . ?
C1 B1 B2 58.82(15) . . ?
C1 B1 B6 104.04(19) . . ?
C1 B1 B7 104.7(2) . . ?
B2 B1 H1A 121.9 . . ?
B6 B1 H1A 122.7 . . ?
B6 B1 B2 107.7(2) . . ?
B7 B1 H1A 122.9 . . ?
B7 B1 B2 59.95(17) . . ?
B7 B1 B6 60.05(17) . . ?
C1 B3 B9 104.76(19) . . ?
C1 B3 B8 104.4(2) . . ?
C1 B3 H3 124.6 . . ?
C1 B3 B2 59.04(15) . . ?
C1 B3 B4 59.44(14) . . ?
B9 B3 H3 122.5 . . ?
B9 B3 B4 59.87(15) . . ?
B8 B3 B9 59.98(17) . . ?
B8 B3 H3 122.7 . . ?
B8 B3 B4 108.2(2) . . ?
B2 B3 B9 108.0(2) . . ?
B2 B3 B8 59.58(17) . . ?
B2 B3 H3 121.1 . . ?
B2 B3 B4 109.21(19) . . ?
B4 B3 H3 120.8 . . ?
C1 B2 B8 104.0(2) . . ?
C1 B2 B1 58.40(15) . . ?
C1 B2 B3 57.84(15) . . ?
C1 B2 H2 125.6 . . ?
C1 B2 B7 103.97(19) . . ?
B8 B2 B1 107.8(2) . . ?
B8 B2 B3 60.21(17) . . ?
B8 B2 H2 122.2 . . ?
B1 B2 B3 107.3(2) . . ?
B1 B2 H2 121.9 . . ?
B3 B2 H2 121.6 . . ?
B7 B2 B8 60.65(17) . . ?
B7 B2 B1 59.47(16) . . ?
B7 B2 B3 108.4(2) . . ?
B7 B2 H2 122.2 . . ?
B5 B10 B9 59.71(15) . . ?
B5 B10 B8 108.05(19) . . ?
B5 B10 H10A 121.8 . . ?
B5 B10 B7 108.2(2) . . ?
B9 B10 H10A 121.6 . . ?
B8 B10 B9 60.25(16) . . ?
B8 B10 H10A 121.5 . . ?
B8 B10 B7 60.47(17) . . ?
B6 B10 B5 60.02(15) . . ?
B6 B10 B9 107.87(19) . . ?
B6 B10 B8 108.2(2) . . ?
B6 B10 H10A 121.8 . . ?
B6 B10 B7 59.90(16) . . ?
B7 B10 B9 108.6(2) . . ?
B7 B10 H10A 121.3 . . ?
C2 B6 B5 58.81(14) . . ?
C2 B6 B1 59.79(15) . . ?
C2 B6 B10 105.33(19) . . ?
C2 B6 H6A 124.0 . . ?
C2 B6 B7 105.76(19) . . ?
B5 B6 B1 108.77(19) . . ?
B5 B6 H6A 121.2 . . ?
B5 B6 B7 108.7(2) . . ?
B1 B6 H6A 121.2 . . ?
B10 B6 B5 60.06(15) . . ?
B10 B6 B1 108.2(2) . . ?
B10 B6 H6A 122.2 . . ?
B10 B6 B7 60.46(16) . . ?
B7 B6 B1 59.61(16) . . ?
B7 B6 H6A 122.0 . . ?
C2 B4 C1 57.23(13) . . ?
C2 B4 B5 58.13(14) . . ?
C2 B4 B9 103.94(18) . . ?
C2 B4 B3 103.82(18) . . ?
C18 B4 C2 115.23(19) . . ?
C18 B4 C1 121.1(2) . . ?
C18 B4 B5 120.56(19) . . ?
C18 B4 B9 131.7(2) . . ?
C18 B4 B3 129.5(2) . . ?
C1 B4 B5 103.29(18) . . ?
C1 B4 B9 103.19(18) . . ?
C1 B4 B3 57.33(15) . . ?
B5 B4 B9 59.32(15) . . ?
B5 B4 B3 106.68(19) . . ?
B9 B4 B3 59.92(16) . . ?
B8 B7 H7A 122.3 . . ?
B1 B7 B8 107.9(2) . . ?
B1 B7 B2 60.58(17) . . ?
B1 B7 B10 108.1(2) . . ?
B1 B7 B6 60.34(16) . . ?
B1 B7 H7A 121.3 . . ?
B2 B7 B8 59.70(16) . . ?
B2 B7 B10 107.8(2) . . ?
B2 B7 H7A 121.5 . . ?
B10 B7 B8 59.54(17) . . ?
B10 B7 H7A 122.0 . . ?
B6 B7 B8 107.2(2) . . ?
B6 B7 B2 108.4(2) . . ?
B6 B7 B10 59.63(16) . . ?
B6 B7 H7A 121.8 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C17 C12 C11 C10 -0.1(4) . . . . ?
C17 C12 C13 C14 2.4(4) . . . . ?
C17 C18 C9 C8 -179.0(2) . . . . ?
C17 C18 C9 C10 -2.0(3) . . . . ?
C17 C18 B4 C2 174.07(19) . . . . ?
C17 C18 B4 C1 -120.4(2) . . . . ?
C17 C18 B4 B5 107.6(2) . . . . ?
C17 C18 B4 B9 33.1(4) . . . . ?
C17 C18 B4 B3 -49.0(3) . . . . ?
C17 C16 C15 C14 1.2(4) . . . . ?
C12 C17 C18 C9 3.7(3) . . . . ?
C12 C17 C18 B4 -169.4(2) . . . . ?
C12 C17 C16 C15 0.5(4) . . . . ?
C12 C11 C10 C9 1.8(4) . . . . ?
C12 C13 C14 C15 -0.7(4) . . . . ?
C2 C1 B1 B2 -138.6(2) . . . . ?
C2 C1 B1 B6 -36.15(17) . . . . ?
C2 C1 B1 B7 -98.3(2) . . . . ?
C2 C1 B3 B9 2.2(2) . . . . ?
C2 C1 B3 B8 64.4(2) . . . . ?
C2 C1 B3 B2 104.6(2) . . . . ?
C2 C1 B3 B4 -38.49(18) . . . . ?
C2 C1 B2 B8 -63.4(2) . . . . ?
C2 C1 B2 B1 39.13(19) . . . . ?
C2 C1 B2 B3 -103.9(2) . . . . ?
C2 C1 B2 B7 -0.7(3) . . . . ?
C2 C1 B4 C18 -101.7(2) . . . . ?
C2 C1 B4 B5 37.13(16) . . . . ?
C2 C1 B4 B9 98.24(18) . . . . ?
C2 C1 B4 B3 138.6(2) . . . . ?
C2 C3 C8 C9 -3.2(3) . . . . ?
C2 C3 C8 C7 178.7(2) . . . . ?
C2 B5 B9 B8 -62.1(2) . . . . ?
C2 B5 B9 B3 1.0(2) . . . . ?
C2 B5 B9 B10 -99.0(2) . . . . ?
C2 B5 B9 B4 39.52(17) . . . . ?
C2 B5 B10 B9 99.5(2) . . . . ?
C2 B5 B10 B8 62.1(2) . . . . ?
C2 B5 B10 B6 -38.87(17) . . . . ?
C2 B5 B10 B7 -1.9(2) . . . . ?
C2 B5 B6 B1 34.21(18) . . . . ?
C2 B5 B6 B10 134.9(2) . . . . ?
C2 B5 B6 B7 97.5(2) . . . . ?
C2 B5 B4 C18 102.5(2) . . . . ?
C2 B5 B4 C1 -36.71(16) . . . . ?
C2 B5 B4 B9 -134.3(2) . . . . ?
C2 B5 B4 B3 -96.16(19) . . . . ?
C2 B1 B2 C1 -35.28(17) . . . . ?
C2 B1 B2 B8 60.4(2) . . . . ?
C2 B1 B2 B3 -3.0(3) . . . . ?
C2 B1 B2 B7 98.5(2) . . . . ?
C2 B1 B6 B5 -33.81(17) . . . . ?
C2 B1 B6 B10 -97.5(2) . . . . ?
C2 B1 B6 B7 -134.9(2) . . . . ?
C2 B1 B7 B8 -61.6(2) . . . . ?
C2 B1 B7 B2 -99.2(2) . . . . ?
C2 B1 B7 B10 1.4(3) . . . . ?
C2 B1 B7 B6 38.41(17) . . . . ?
C2 B6 B7 B8 61.7(2) . . . . ?
C2 B6 B7 B1 -39.49(18) . . . . ?
C2 B6 B7 B2 -1.3(3) . . . . ?
C2 B6 B7 B10 99.0(2) . . . . ?
C18 C17 C12 C11 -2.6(3) . . . . ?
C18 C17 C12 C13 178.6(2) . . . . ?
C18 C17 C16 C15 179.6(2) . . . . ?
C18 C9 C8 C3 7.4(3) . . . . ?
C18 C9 C8 C7 -174.6(2) . . . . ?
C18 C9 C10 C11 -0.7(4) . . . . ?
C4 C5 C6 C7 -2.1(4) . . . . ?
C4 C3 C8 C9 174.8(2) . . . . ?
C4 C3 C8 C7 -3.3(3) . . . . ?
C5 C4 C3 C2 179.2(2) . . . . ?
C5 C4 C3 C8 1.1(4) . . . . ?
C11 C12 C13 C14 -176.4(3) . . . . ?
C1 C2 C3 C4 110.1(2) . . . . ?
C1 C2 C3 C8 -71.9(3) . . . . ?
C1 C2 B5 B9 0.4(2) . . . . ?
C1 C2 B5 B10 -62.8(2) . . . . ?
C1 C2 B5 B6 -102.24(19) . . . . ?
C1 C2 B5 B4 40.56(17) . . . . ?
C1 C2 B1 B2 35.90(18) . . . . ?
C1 C2 B1 B6 137.6(2) . . . . ?
C1 C2 B1 B7 98.2(2) . . . . ?
C1 C2 B6 B5 103.41(19) . . . . ?
C1 C2 B6 B1 -38.57(18) . . . . ?
C1 C2 B6 B10 63.9(2) . . . . ?
C1 C2 B6 B7 0.8(2) . . . . ?
C1 C2 B4 C18 112.1(2) . . . . ?
C1 C2 B4 B5 -136.23(19) . . . . ?
C1 C2 B4 B9 -96.88(19) . . . . ?
C1 C2 B4 B3 -34.97(17) . . . . ?
C1 B1 B2 B8 95.7(2) . . . . ?
C1 B1 B2 B3 32.24(19) . . . . ?
C1 B1 B2 B7 133.8(2) . . . . ?
C1 B1 B6 C2 35.87(16) . . . . ?
C1 B1 B6 B5 2.1(2) . . . . ?
C1 B1 B6 B10 -61.6(2) . . . . ?
C1 B1 B6 B7 -99.0(2) . . . . ?
C1 B1 B7 B8 -2.0(3) . . . . ?
C1 B1 B7 B2 -39.68(18) . . . . ?
C1 B1 B7 B10 60.9(2) . . . . ?
C1 B1 B7 B6 98.0(2) . . . . ?
C1 B3 B2 B8 -133.5(2) . . . . ?
C1 B3 B2 B1 -32.46(19) . . . . ?
C1 B3 B2 B7 -95.3(2) . . . . ?
C1 B3 B4 C2 34.93(17) . . . . ?
C1 B3 B4 C18 -105.5(3) . . . . ?
C1 B3 B4 B5 95.33(19) . . . . ?
C1 B3 B4 B9 133.22(19) . . . . ?
C1 B2 B7 B8 -98.3(2) . . . . ?
C1 B2 B7 B1 39.33(18) . . . . ?
C1 B2 B7 B10 -61.9(2) . . . . ?
C1 B2 B7 B6 1.2(3) . . . . ?
C3 C2 C1 B1 -106.4(2) . . . . ?
C3 C2 C1 B3 145.6(2) . . . . ?
C3 C2 C1 B2 -145.8(2) . . . . ?
C3 C2 C1 B4 106.1(2) . . . . ?
C3 C2 B5 B9 -145.5(2) . . . . ?
C3 C2 B5 B10 151.4(2) . . . . ?
C3 C2 B5 B6 111.9(2) . . . . ?
C3 C2 B5 B4 -105.3(2) . . . . ?
C3 C2 B1 C1 108.9(2) . . . . ?
C3 C2 B1 B2 144.8(2) . . . . ?
C3 C2 B1 B6 -113.5(2) . . . . ?
C3 C2 B1 B7 -152.92(19) . . . . ?
C3 C2 B6 B5 -112.2(2) . . . . ?
C3 C2 B6 B1 105.8(2) . . . . ?
C3 C2 B6 B10 -151.8(2) . . . . ?
C3 C2 B6 B7 145.2(2) . . . . ?
C3 C2 B4 C18 2.6(3) . . . . ?
C3 C2 B4 C1 -109.6(2) . . . . ?
C3 C2 B4 B5 114.2(2) . . . . ?
C3 C2 B4 B9 153.55(19) . . . . ?
C3 C2 B4 B3 -144.5(2) . . . . ?
C3 C4 C5 C6 1.6(4) . . . . ?
C3 C8 C7 C6 2.8(4) . . . . ?
C13 C12 C11 C10 178.7(2) . . . . ?
C16 C17 C12 C11 176.6(2) . . . . ?
C16 C17 C12 C13 -2.2(3) . . . . ?
C16 C17 C18 C9 -175.5(2) . . . . ?
C16 C17 C18 B4 11.4(3) . . . . ?
C16 C15 C14 C13 -1.1(4) . . . . ?
C9 C18 B4 C2 1.0(3) . . . . ?
C9 C18 B4 C1 66.6(3) . . . . ?
C9 C18 B4 B5 -65.4(3) . . . . ?
C9 C18 B4 B9 -139.9(2) . . . . ?
C9 C18 B4 B3 137.9(3) . . . . ?
C9 C8 C7 C6 -175.3(2) . . . . ?
C8 C9 C10 C11 176.5(2) . . . . ?
C8 C7 C6 C5 -0.2(4) . . . . ?
C10 C9 C8 C3 -169.6(2) . . . . ?
C10 C9 C8 C7 8.4(3) . . . . ?
B5 C2 C1 B1 106.4(2) . . . . ?
B5 C2 C1 B3 -1.7(2) . . . . ?
B5 C2 C1 B2 67.0(2) . . . . ?
B5 C2 C1 B4 -41.08(18) . . . . ?
B5 C2 C3 C4 -106.6(3) . . . . ?
B5 C2 C3 C8 71.4(3) . . . . ?
B5 C2 B1 C1 -101.0(2) . . . . ?
B5 C2 B1 B2 -65.0(2) . . . . ?
B5 C2 B1 B6 36.63(19) . . . . ?
B5 C2 B1 B7 -2.8(2) . . . . ?
B5 C2 B6 B1 -142.0(2) . . . . ?
B5 C2 B6 B10 -39.56(18) . . . . ?
B5 C2 B6 B7 -102.6(2) . . . . ?
B5 C2 B4 C18 -111.6(2) . . . . ?
B5 C2 B4 C1 136.23(19) . . . . ?
B5 C2 B4 B9 39.34(18) . . . . ?
B5 C2 B4 B3 101.3(2) . . . . ?
B5 B9 B8 B3 100.7(2) . . . . ?
B5 B9 B8 B2 63.7(2) . . . . ?
B5 B9 B8 B10 -36.94(18) . . . . ?
B5 B9 B8 B7 0.4(3) . . . . ?
B5 B9 B3 C1 -1.9(2) . . . . ?
B5 B9 B3 B8 -100.2(2) . . . . ?
B5 B9 B3 B2 -63.6(2) . . . . ?
B5 B9 B3 B4 38.56(18) . . . . ?
B5 B9 B10 B8 138.3(2) . . . . ?
B5 B9 B10 B6 37.22(19) . . . . ?
B5 B9 B10 B7 100.6(2) . . . . ?
B5 B9 B4 C2 -38.75(17) . . . . ?
B5 B9 B4 C18 105.3(3) . . . . ?
B5 B9 B4 C1 -97.78(19) . . . . ?
B5 B9 B4 B3 -136.8(2) . . . . ?
B5 B10 B6 C2 38.96(17) . . . . ?
B5 B10 B6 B1 101.6(2) . . . . ?
B5 B10 B6 B7 138.7(2) . . . . ?
B5 B10 B7 B8 100.9(2) . . . . ?
B5 B10 B7 B1 0.3(3) . . . . ?
B5 B10 B7 B2 64.3(2) . . . . ?
B5 B10 B7 B6 -37.03(18) . . . . ?
B5 B6 B7 B8 0.0(3) . . . . ?
B5 B6 B7 B1 -101.3(2) . . . . ?
B5 B6 B7 B2 -63.1(3) . . . . ?
B5 B6 B7 B10 37.17(18) . . . . ?
B9 B5 B10 B8 -37.38(19) . . . . ?
B9 B5 B10 B6 -138.3(2) . . . . ?
B9 B5 B10 B7 -101.4(2) . . . . ?
B9 B5 B6 C2 -97.2(2) . . . . ?
B9 B5 B6 B1 -63.0(2) . . . . ?
B9 B5 B6 B10 37.67(19) . . . . ?
B9 B5 B6 B7 0.3(3) . . . . ?
B9 B5 B4 C2 134.3(2) . . . . ?
B9 B5 B4 C18 -123.2(2) . . . . ?
B9 B5 B4 C1 97.62(19) . . . . ?
B9 B5 B4 B3 38.17(18) . . . . ?
B9 B8 B3 C1 -98.9(2) . . . . ?
B9 B8 B3 B2 -138.9(2) . . . . ?
B9 B8 B3 B4 -36.87(18) . . . . ?
B9 B8 B2 C1 -2.3(3) . . . . ?
B9 B8 B2 B1 -63.1(2) . . . . ?
B9 B8 B2 B3 37.02(18) . . . . ?
B9 B8 B2 B7 -100.6(2) . . . . ?
B9 B8 B10 B5 37.14(19) . . . . ?
B9 B8 B10 B6 100.6(2) . . . . ?
B9 B8 B10 B7 138.2(2) . . . . ?
B9 B8 B7 B1 63.4(3) . . . . ?
B9 B8 B7 B2 101.4(2) . . . . ?
B9 B8 B7 B10 -37.50(19) . . . . ?
B9 B8 B7 B6 -0.2(3) . . . . ?
B9 B3 B2 C1 96.7(2) . . . . ?
B9 B3 B2 B8 -36.76(19) . . . . ?
B9 B3 B2 B1 64.3(3) . . . . ?
B9 B3 B2 B7 1.5(3) . . . . ?
B9 B3 B4 C2 -98.29(19) . . . . ?
B9 B3 B4 C18 121.2(3) . . . . ?
B9 B3 B4 C1 -133.22(19) . . . . ?
B9 B3 B4 B5 -37.89(18) . . . . ?
B9 B10 B6 C2 1.9(3) . . . . ?
B9 B10 B6 B5 -37.08(19) . . . . ?
B9 B10 B6 B1 64.5(2) . . . . ?
B9 B10 B6 B7 101.6(2) . . . . ?
B9 B10 B7 B8 37.60(18) . . . . ?
B9 B10 B7 B1 -63.0(2) . . . . ?
B9 B10 B7 B2 1.0(3) . . . . ?
B9 B10 B7 B6 -100.3(2) . . . . ?
B8 B9 B3 C1 98.3(2) . . . . ?
B8 B9 B3 B2 36.58(19) . . . . ?
B8 B9 B3 B4 138.8(2) . . . . ?
B8 B9 B10 B5 -138.3(2) . . . . ?
B8 B9 B10 B6 -101.1(2) . . . . ?
B8 B9 B10 B7 -37.69(19) . . . . ?
B8 B9 B4 C2 61.2(2) . . . . ?
B8 B9 B4 C18 -154.8(2) . . . . ?
B8 B9 B4 C1 2.2(2) . . . . ?
B8 B9 B4 B5 99.9(2) . . . . ?
B8 B9 B4 B3 -36.89(19) . . . . ?
B8 B3 B2 C1 133.5(2) . . . . ?
B8 B3 B2 B1 101.0(2) . . . . ?
B8 B3 B2 B7 38.23(19) . . . . ?
B8 B3 B4 C2 -61.4(2) . . . . ?
B8 B3 B4 C18 158.2(2) . . . . ?
B8 B3 B4 C1 -96.3(2) . . . . ?
B8 B3 B4 B5 -1.0(3) . . . . ?
B8 B3 B4 B9 36.92(19) . . . . ?
B8 B2 B7 B1 137.7(2) . . . . ?
B8 B2 B7 B10 36.48(19) . . . . ?
B8 B2 B7 B6 99.6(2) . . . . ?
B8 B10 B6 C2 -61.8(2) . . . . ?
B8 B10 B6 B5 -100.8(2) . . . . ?
B8 B10 B6 B1 0.8(3) . . . . ?
B8 B10 B6 B7 37.86(19) . . . . ?
B8 B10 B7 B1 -100.6(2) . . . . ?
B8 B10 B7 B2 -36.55(18) . . . . ?
B8 B10 B7 B6 -137.9(2) . . . . ?
B1 C2 C1 B3 -108.0(2) . . . . ?
B1 C2 C1 B2 -39.40(19) . . . . ?
B1 C2 C1 B4 -147.46(19) . . . . ?
B1 C2 C3 C4 40.9(3) . . . . ?
B1 C2 C3 C8 -141.0(2) . . . . ?
B1 C2 B5 B9 66.1(2) . . . . ?
B1 C2 B5 B10 2.9(2) . . . . ?
B1 C2 B5 B6 -36.51(19) . . . . ?
B1 C2 B5 B4 106.3(2) . . . . ?
B1 C2 B6 B5 142.0(2) . . . . ?
B1 C2 B6 B10 102.4(2) . . . . ?
B1 C2 B6 B7 39.41(18) . . . . ?
B1 C2 B4 C18 143.0(2) . . . . ?
B1 C2 B4 C1 30.90(18) . . . . ?
B1 C2 B4 B5 -105.3(2) . . . . ?
B1 C2 B4 B9 -66.0(2) . . . . ?
B1 C2 B4 B3 -4.1(2) . . . . ?
B1 C1 B3 B9 -66.2(2) . . . . ?
B1 C1 B3 B8 -4.0(3) . . . . ?
B1 C1 B3 B2 36.3(2) . . . . ?
B1 C1 B3 B4 -106.8(2) . . . . ?
B1 C1 B2 B8 -102.6(2) . . . . ?
B1 C1 B2 B3 -143.0(2) . . . . ?
B1 C1 B2 B7 -39.86(19) . . . . ?
B1 C1 B4 C2 -31.71(18) . . . . ?
B1 C1 B4 C18 -133.4(2) . . . . ?
B1 C1 B4 B5 5.4(2) . . . . ?
B1 C1 B4 B9 66.5(2) . . . . ?
B1 C1 B4 B3 106.9(2) . . . . ?
B1 B2 B7 B8 -137.7(2) . . . . ?
B1 B2 B7 B10 -101.2(2) . . . . ?
B1 B2 B7 B6 -38.10(19) . . . . ?
B1 B6 B7 B8 101.2(2) . . . . ?
B1 B6 B7 B2 38.2(2) . . . . ?
B1 B6 B7 B10 138.5(2) . . . . ?
B3 C1 B1 C2 102.2(2) . . . . ?
B3 C1 B1 B2 -36.4(2) . . . . ?
B3 C1 B1 B6 66.0(2) . . . . ?
B3 C1 B1 B7 3.8(3) . . . . ?
B3 C1 B2 B8 40.45(19) . . . . ?
B3 C1 B2 B1 143.0(2) . . . . ?
B3 C1 B2 B7 103.2(2) . . . . ?
B3 C1 B4 C2 -138.6(2) . . . . ?
B3 C1 B4 C18 119.7(2) . . . . ?
B3 C1 B4 B5 -101.5(2) . . . . ?
B3 C1 B4 B9 -40.37(17) . . . . ?
B3 B9 B8 B2 -37.02(19) . . . . ?
B3 B9 B8 B10 -137.6(2) . . . . ?
B3 B9 B8 B7 -100.3(2) . . . . ?
B3 B9 B10 B5 -100.8(2) . . . . ?
B3 B9 B10 B8 37.56(19) . . . . ?
B3 B9 B10 B6 -63.6(2) . . . . ?
B3 B9 B10 B7 -0.1(3) . . . . ?
B3 B9 B4 C2 98.08(19) . . . . ?
B3 B9 B4 C18 -117.9(3) . . . . ?
B3 B9 B4 C1 39.06(17) . . . . ?
B3 B9 B4 B5 136.8(2) . . . . ?
B3 B8 B2 C1 -39.27(17) . . . . ?
B3 B8 B2 B1 -100.1(2) . . . . ?
B3 B8 B2 B7 -137.6(2) . . . . ?
B3 B8 B10 B5 -0.8(3) . . . . ?
B3 B8 B10 B9 -37.94(19) . . . . ?
B3 B8 B10 B6 62.7(3) . . . . ?
B3 B8 B10 B7 100.3(2) . . . . ?
B3 B8 B7 B1 -0.2(3) . . . . ?
B3 B8 B7 B2 37.83(19) . . . . ?
B3 B8 B7 B10 -101.1(2) . . . . ?
B3 B8 B7 B6 -63.9(3) . . . . ?
B3 B2 B7 B8 -38.04(19) . . . . ?
B3 B2 B7 B1 99.6(2) . . . . ?
B3 B2 B7 B10 -1.6(3) . . . . ?
B3 B2 B7 B6 61.5(3) . . . . ?
B2 C1 B1 C2 138.6(2) . . . . ?
B2 C1 B1 B6 102.4(2) . . . . ?
B2 C1 B1 B7 40.24(19) . . . . ?
B2 C1 B3 B9 -102.4(2) . . . . ?
B2 C1 B3 B8 -40.24(19) . . . . ?
B2 C1 B3 B4 -143.1(2) . . . . ?
B2 C1 B4 C2 -102.2(2) . . . . ?
B2 C1 B4 C18 156.1(2) . . . . ?
B2 C1 B4 B5 -65.0(2) . . . . ?
B2 C1 B4 B9 -3.9(2) . . . . ?
B2 C1 B4 B3 36.45(19) . . . . ?
B2 B8 B3 C1 39.97(18) . . . . ?
B2 B8 B3 B9 138.9(2) . . . . ?
B2 B8 B3 B4 102.0(2) . . . . ?
B2 B8 B10 B5 -64.5(2) . . . . ?
B2 B8 B10 B9 -101.6(2) . . . . ?
B2 B8 B10 B6 -1.0(3) . . . . ?
B2 B8 B10 B7 36.60(19) . . . . ?
B2 B8 B7 B1 -38.1(2) . . . . ?
B2 B8 B7 B10 -138.9(2) . . . . ?
B2 B8 B7 B6 -101.7(2) . . . . ?
B2 B1 B6 C2 97.2(2) . . . . ?
B2 B1 B6 B5 63.3(2) . . . . ?
B2 B1 B6 B10 -0.4(3) . . . . ?
B2 B1 B6 B7 -37.75(19) . . . . ?
B2 B1 B7 B8 37.7(2) . . . . ?
B2 B1 B7 B10 100.6(2) . . . . ?
B2 B1 B7 B6 137.6(2) . . . . ?
B2 B3 B4 C2 1.9(3) . . . . ?
B2 B3 B4 C18 -138.6(2) . . . . ?
B2 B3 B4 C1 -33.04(18) . . . . ?
B2 B3 B4 B5 62.3(2) . . . . ?
B2 B3 B4 B9 100.2(2) . . . . ?
B10 B5 B9 B8 36.88(19) . . . . ?
B10 B5 B9 B3 99.9(2) . . . . ?
B10 B5 B9 B4 138.5(2) . . . . ?
B10 B5 B6 C2 -134.9(2) . . . . ?
B10 B5 B6 B1 -100.7(2) . . . . ?
B10 B5 B6 B7 -37.35(19) . . . . ?
B10 B5 B4 C2 96.6(2) . . . . ?
B10 B5 B4 C18 -160.9(2) . . . . ?
B10 B5 B4 C1 59.9(2) . . . . ?
B10 B5 B4 B9 -37.68(18) . . . . ?
B10 B5 B4 B3 0.5(2) . . . . ?
B10 B9 B8 B3 137.6(2) . . . . ?
B10 B9 B8 B2 100.6(2) . . . . ?
B10 B9 B8 B7 37.38(19) . . . . ?
B10 B9 B3 C1 60.9(2) . . . . ?
B10 B9 B3 B8 -37.40(19) . . . . ?
B10 B9 B3 B2 -0.8(3) . . . . ?
B10 B9 B3 B4 101.4(2) . . . . ?
B10 B9 B4 C2 -1.8(2) . . . . ?
B10 B9 B4 C18 142.3(2) . . . . ?
B10 B9 B4 C1 -60.8(2) . . . . ?
B10 B9 B4 B5 36.99(19) . . . . ?
B10 B9 B4 B3 -99.8(2) . . . . ?
B10 B8 B3 C1 -61.0(3) . . . . ?
B10 B8 B3 B9 37.98(19) . . . . ?
B10 B8 B3 B2 -100.9(2) . . . . ?
B10 B8 B3 B4 1.1(3) . . . . ?
B10 B8 B2 C1 61.6(2) . . . . ?
B10 B8 B2 B1 0.8(3) . . . . ?
B10 B8 B2 B3 100.9(2) . . . . ?
B10 B8 B2 B7 -36.75(19) . . . . ?
B10 B8 B7 B1 100.9(2) . . . . ?
B10 B8 B7 B2 138.9(2) . . . . ?
B10 B8 B7 B6 37.26(19) . . . . ?
B10 B6 B7 B8 -37.22(19) . . . . ?
B10 B6 B7 B1 -138.5(2) . . . . ?
B10 B6 B7 B2 -100.2(2) . . . . ?
B6 C2 C1 B1 39.34(19) . . . . ?
B6 C2 C1 B3 -68.7(2) . . . . ?
B6 C2 C1 B2 -0.1(2) . . . . ?
B6 C2 C1 B4 -108.1(2) . . . . ?
B6 C2 C3 C4 -31.4(3) . . . . ?
B6 C2 C3 C8 146.6(2) . . . . ?
B6 C2 B5 B9 102.6(2) . . . . ?
B6 C2 B5 B10 39.45(18) . . . . ?
B6 C2 B5 B4 142.80(19) . . . . ?
B6 C2 B1 C1 -137.6(2) . . . . ?
B6 C2 B1 B2 -101.7(2) . . . . ?
B6 C2 B1 B7 -39.39(18) . . . . ?
B6 C2 B4 C18 -147.8(2) . . . . ?
B6 C2 B4 C1 100.1(2) . . . . ?
B6 C2 B4 B5 -36.17(19) . . . . ?
B6 C2 B4 B9 3.2(2) . . . . ?
B6 C2 B4 B3 65.1(2) . . . . ?
B6 B5 B9 B8 -0.5(2) . . . . ?
B6 B5 B9 B3 62.6(2) . . . . ?
B6 B5 B9 B10 -37.35(19) . . . . ?
B6 B5 B9 B4 101.1(2) . . . . ?
B6 B5 B10 B9 138.3(2) . . . . ?
B6 B5 B10 B8 101.0(2) . . . . ?
B6 B5 B10 B7 36.98(19) . . . . ?
B6 B5 B4 C2 33.00(17) . . . . ?
B6 B5 B4 C18 135.5(2) . . . . ?
B6 B5 B4 C1 -3.7(2) . . . . ?
B6 B5 B4 B9 -101.3(2) . . . . ?
B6 B5 B4 B3 -63.2(2) . . . . ?
B6 B1 B2 C1 -96.0(2) . . . . ?
B6 B1 B2 B8 -0.3(3) . . . . ?
B6 B1 B2 B3 -63.7(2) . . . . ?
B6 B1 B2 B7 37.79(19) . . . . ?
B6 B1 B7 B8 -100.0(2) . . . . ?
B6 B1 B7 B2 -137.6(2) . . . . ?
B6 B1 B7 B10 -37.02(19) . . . . ?
B6 B10 B7 B8 137.9(2) . . . . ?
B6 B10 B7 B1 37.32(19) . . . . ?
B6 B10 B7 B2 101.4(2) . . . . ?
B4 C2 C1 B1 147.46(19) . . . . ?
B4 C2 C1 B3 39.42(19) . . . . ?
B4 C2 C1 B2 108.1(2) . . . . ?
B4 C2 C3 C4 -179.6(2) . . . . ?
B4 C2 C3 C8 -1.5(3) . . . . ?
B4 C2 B5 B9 -40.20(17) . . . . ?
B4 C2 B5 B10 -103.34(19) . . . . ?
B4 C2 B5 B6 -142.80(19) . . . . ?
B4 C2 B1 C1 -31.32(18) . . . . ?
B4 C2 B1 B2 4.6(3) . . . . ?
B4 C2 B1 B6 106.3(2) . . . . ?
B4 C2 B1 B7 66.9(2) . . . . ?
B4 C2 B6 B5 36.32(18) . . . . ?
B4 C2 B6 B1 -105.7(2) . . . . ?
B4 C2 B6 B10 -3.2(3) . . . . ?
B4 C2 B6 B7 -66.3(2) . . . . ?
B4 C18 C9 C8 -5.8(3) . . . . ?
B4 C18 C9 C10 171.1(2) . . . . ?
B4 C1 B1 C2 31.36(18) . . . . ?
B4 C1 B1 B2 -107.2(2) . . . . ?
B4 C1 B1 B6 -4.8(3) . . . . ?
B4 C1 B1 B7 -67.0(2) . . . . ?
B4 C1 B3 B9 40.68(17) . . . . ?
B4 C1 B3 B8 102.9(2) . . . . ?
B4 C1 B3 B2 143.1(2) . . . . ?
B4 C1 B2 B8 4.0(3) . . . . ?
B4 C1 B2 B1 106.5(2) . . . . ?
B4 C1 B2 B3 -36.49(19) . . . . ?
B4 C1 B2 B7 66.7(2) . . . . ?
B4 B5 B9 B8 -101.6(2) . . . . ?
B4 B5 B9 B3 -38.54(18) . . . . ?
B4 B5 B9 B10 -138.5(2) . . . . ?
B4 B5 B10 B9 37.57(18) . . . . ?
B4 B5 B10 B8 0.2(3) . . . . ?
B4 B5 B10 B6 -100.8(2) . . . . ?
B4 B5 B10 B7 -63.8(2) . . . . ?
B4 B5 B6 C2 -33.12(17) . . . . ?
B4 B5 B6 B1 1.1(3) . . . . ?
B4 B5 B6 B10 101.7(2) . . . . ?
B4 B5 B6 B7 64.4(2) . . . . ?
B4 B9 B8 B3 37.06(18) . . . . ?
B4 B9 B8 B2 0.0(3) . . . . ?
B4 B9 B8 B10 -100.6(2) . . . . ?
B4 B9 B8 B7 -63.2(2) . . . . ?
B4 B9 B3 C1 -40.46(17) . . . . ?
B4 B9 B3 B8 -138.8(2) . . . . ?
B4 B9 B3 B2 -102.2(2) . . . . ?
B4 B9 B10 B5 -37.27(18) . . . . ?
B4 B9 B10 B8 101.1(2) . . . . ?
B4 B9 B10 B6 -0.1(3) . . . . ?
B4 B9 B10 B7 63.4(2) . . . . ?
B4 B3 B2 C1 33.19(18) . . . . ?
B4 B3 B2 B8 -100.3(2) . . . . ?
B4 B3 B2 B1 0.7(3) . . . . ?
B4 B3 B2 B7 -62.1(3) . . . . ?
B7 B8 B3 C1 2.4(3) . . . . ?
B7 B8 B3 B9 101.3(2) . . . . ?
B7 B8 B3 B2 -37.58(19) . . . . ?
B7 B8 B3 B4 64.5(3) . . . . ?
B7 B8 B2 C1 98.4(2) . . . . ?
B7 B8 B2 B1 37.54(19) . . . . ?
B7 B8 B2 B3 137.6(2) . . . . ?
B7 B8 B10 B5 -101.1(2) . . . . ?
B7 B8 B10 B9 -138.2(2) . . . . ?
B7 B8 B10 B6 -37.61(18) . . . . ?
B7 B1 B2 C1 -133.8(2) . . . . ?
B7 B1 B2 B8 -38.06(19) . . . . ?
B7 B1 B2 B3 -101.5(2) . . . . ?
B7 B1 B6 C2 134.9(2) . . . . ?
B7 B1 B6 B5 101.1(2) . . . . ?
B7 B1 B6 B10 37.40(19) . . . . ?
B7 B10 B6 C2 -99.7(2) . . . . ?
B7 B10 B6 B5 -138.7(2) . . . . ?
B7 B10 B6 B1 -37.02(19) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.8059(13)
2 0.1941(13)

